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= -0.716 USER MOD Single : A 42 G O5' : rot 180:sc= 0 USER MOD Single : A 43 A O2' : rot -5:sc= -0.316 USER MOD Single : A 44 U O2' : rot -8:sc= -0.115 USER MOD Single : A 45 C O2' : rot -6:sc= -0.563 USER MOD Single : A 46 U O2' : rot -15:sc= 0.122 USER MOD Single : A 47 C O2' : rot -163:sc= -1.96! USER MOD Single : A 48 U O2' : rot -106:sc= -5.77! USER MOD Single : A 49 U O2' : rot -38:sc= -1.19! USER MOD Single : A 50 G O2' : rot -81:sc= -5.74! USER MOD Single : A 51 U O2' : rot 180:sc= -5.01! USER MOD Single : A 52 A O2' : rot -2:sc= -0.67 USER MOD Single : A 53 G O2' : rot -6:sc= -0.333 USER MOD Single : A 54 A O2' : rot 0:sc= -1.88! USER MOD Single : A 55 U O2' : rot -1:sc= -0.624 USER MOD Single : A 56 C O2' : rot 180:sc= -2.33! USER MOD Single : A 57 A O2' : rot 180:sc= 0 USER MOD Single : A 57 A O3' : rot 127:sc= 0.228 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 6.729 -4.510 10.172 1.00 0.00 O ATOM 2 C5' G A 42 7.645 -3.994 11.139 1.00 0.00 C ATOM 3 C4' G A 42 8.432 -2.812 10.589 1.00 0.00 C ATOM 4 O4' G A 42 9.308 -3.221 9.541 1.00 0.00 O ATOM 5 C3' G A 42 7.579 -1.702 10.009 1.00 0.00 C ATOM 6 O3' G A 42 7.101 -0.843 11.050 1.00 0.00 O ATOM 7 C2' G A 42 8.580 -0.984 9.134 1.00 0.00 C ATOM 8 O2' G A 42 9.390 -0.077 9.891 1.00 0.00 O ATOM 9 C1' G A 42 9.400 -2.147 8.590 1.00 0.00 C ATOM 10 N9 G A 42 8.916 -2.667 7.303 1.00 0.00 N ATOM 11 C8 G A 42 8.107 -3.744 7.078 1.00 0.00 C ATOM 12 N7 G A 42 7.846 -3.956 5.819 1.00 0.00 N ATOM 13 C5 G A 42 8.535 -2.941 5.160 1.00 0.00 C ATOM 14 C6 G A 42 8.625 -2.657 3.770 1.00 0.00 C ATOM 15 O6 G A 42 8.106 -3.265 2.839 1.00 0.00 O ATOM 16 N1 G A 42 9.420 -1.540 3.526 1.00 0.00 N ATOM 17 C2 G A 42 10.052 -0.795 4.505 1.00 0.00 C ATOM 18 N2 G A 42 10.778 0.242 4.089 1.00 0.00 N ATOM 19 N3 G A 42 9.966 -1.065 5.811 1.00 0.00 N ATOM 20 C4 G A 42 9.194 -2.147 6.062 1.00 0.00 C ATOM 0 H5' G A 42 8.335 -4.781 11.444 1.00 0.00 H new ATOM 0 H5'' G A 42 7.099 -3.685 12.030 1.00 0.00 H new ATOM 0 H4' G A 42 8.967 -2.432 11.459 1.00 0.00 H new ATOM 0 H3' G A 42 6.690 -2.044 9.480 1.00 0.00 H new ATOM 0 H2' G A 42 8.126 -0.362 8.363 1.00 0.00 H new ATOM 0 HO2' G A 42 9.126 -0.112 10.834 1.00 0.00 H new ATOM 0 HO5' G A 42 6.241 -5.268 10.556 1.00 0.00 H new ATOM 0 H1' G A 42 10.414 -1.780 8.434 1.00 0.00 H new ATOM 0 H8 G A 42 7.718 -4.364 7.872 1.00 0.00 H new ATOM 0 H1 G A 42 9.545 -1.251 2.556 1.00 0.00 H new ATOM 0 H21 G A 42 11.267 0.827 4.767 1.00 0.00 H new ATOM 0 H22 G A 42 10.845 0.451 3.093 1.00 0.00 H new ATOM 33 P A A 43 5.725 -0.021 10.871 1.00 0.00 P ATOM 34 OP1 A A 43 5.437 0.681 12.141 1.00 0.00 O ATOM 35 OP2 A A 43 4.715 -0.931 10.285 1.00 0.00 O ATOM 36 O5' A A 43 6.114 1.082 9.763 1.00 0.00 O ATOM 37 C5' A A 43 7.080 2.088 10.061 1.00 0.00 C ATOM 38 C4' A A 43 7.419 2.937 8.837 1.00 0.00 C ATOM 39 O4' A A 43 8.067 2.143 7.837 1.00 0.00 O ATOM 40 C3' A A 43 6.229 3.563 8.134 1.00 0.00 C ATOM 41 O3' A A 43 5.818 4.757 8.815 1.00 0.00 O ATOM 42 C2' A A 43 6.823 3.881 6.781 1.00 0.00 C ATOM 43 O2' A A 43 7.597 5.086 6.815 1.00 0.00 O ATOM 44 C1' A A 43 7.700 2.657 6.539 1.00 0.00 C ATOM 45 N9 A A 43 7.011 1.581 5.797 1.00 0.00 N ATOM 46 C8 A A 43 6.365 0.472 6.281 1.00 0.00 C ATOM 47 N7 A A 43 5.839 -0.281 5.356 1.00 0.00 N ATOM 48 C5 A A 43 6.155 0.376 4.173 1.00 0.00 C ATOM 49 C6 A A 43 5.880 0.091 2.826 1.00 0.00 C ATOM 50 N6 A A 43 5.200 -0.986 2.427 1.00 0.00 N ATOM 51 N1 A A 43 6.337 0.959 1.911 1.00 0.00 N ATOM 52 C2 A A 43 7.021 2.025 2.308 1.00 0.00 C ATOM 53 N3 A A 43 7.345 2.399 3.535 1.00 0.00 N ATOM 54 C4 A A 43 6.870 1.512 4.433 1.00 0.00 C ATOM 0 H5' A A 43 7.988 1.618 10.439 1.00 0.00 H new ATOM 0 H5'' A A 43 6.700 2.732 10.855 1.00 0.00 H new ATOM 0 H4' A A 43 8.047 3.728 9.246 1.00 0.00 H new ATOM 0 H3' A A 43 5.340 2.934 8.091 1.00 0.00 H new ATOM 0 H2' A A 43 6.082 4.057 6.001 1.00 0.00 H new ATOM 0 HO2' A A 43 7.521 5.499 7.701 1.00 0.00 H new ATOM 0 H1' A A 43 8.555 2.963 5.936 1.00 0.00 H new ATOM 0 H8 A A 43 6.298 0.243 7.334 1.00 0.00 H new ATOM 0 H61 A A 43 5.030 -1.142 1.434 1.00 0.00 H new ATOM 0 H62 A A 43 4.851 -1.653 3.116 1.00 0.00 H new ATOM 0 H2 A A 43 7.361 2.679 1.518 1.00 0.00 H new ATOM 66 P U A 44 4.292 5.275 8.722 1.00 0.00 P ATOM 67 OP1 U A 44 4.139 6.426 9.640 1.00 0.00 O ATOM 68 OP2 U A 44 3.398 4.103 8.856 1.00 0.00 O ATOM 69 O5' U A 44 4.182 5.821 7.208 1.00 0.00 O ATOM 70 C5' U A 44 4.948 6.962 6.811 1.00 0.00 C ATOM 71 C4' U A 44 4.842 7.252 5.312 1.00 0.00 C ATOM 72 O4' U A 44 5.432 6.192 4.557 1.00 0.00 O ATOM 73 C3' U A 44 3.433 7.379 4.763 1.00 0.00 C ATOM 74 O3' U A 44 2.899 8.686 5.013 1.00 0.00 O ATOM 75 C2' U A 44 3.698 7.191 3.282 1.00 0.00 C ATOM 76 O2' U A 44 4.218 8.385 2.685 1.00 0.00 O ATOM 77 C1' U A 44 4.734 6.077 3.299 1.00 0.00 C ATOM 78 N1 U A 44 4.136 4.733 3.233 1.00 0.00 N ATOM 79 C2 U A 44 3.843 4.230 1.983 1.00 0.00 C ATOM 80 O2 U A 44 4.090 4.854 0.953 1.00 0.00 O ATOM 81 N3 U A 44 3.256 2.980 1.955 1.00 0.00 N ATOM 82 C4 U A 44 2.941 2.201 3.053 1.00 0.00 C ATOM 83 O4 U A 44 2.426 1.095 2.909 1.00 0.00 O ATOM 84 C5 U A 44 3.278 2.807 4.320 1.00 0.00 C ATOM 85 C6 U A 44 3.851 4.033 4.372 1.00 0.00 C ATOM 0 H5' U A 44 5.994 6.801 7.073 1.00 0.00 H new ATOM 0 H5'' U A 44 4.610 7.834 7.370 1.00 0.00 H new ATOM 0 H4' U A 44 5.348 8.212 5.211 1.00 0.00 H new ATOM 0 H3' U A 44 2.713 6.685 5.197 1.00 0.00 H new ATOM 0 H2' U A 44 2.808 6.960 2.697 1.00 0.00 H new ATOM 0 HO2' U A 44 4.169 9.121 3.330 1.00 0.00 H new ATOM 0 H1' U A 44 5.379 6.185 2.427 1.00 0.00 H new ATOM 0 H3 U A 44 3.034 2.595 1.037 1.00 0.00 H new ATOM 0 H5 U A 44 3.070 2.276 5.237 1.00 0.00 H new ATOM 0 H6 U A 44 4.088 4.466 5.333 1.00 0.00 H new ATOM 96 P C A 45 1.304 8.897 5.156 1.00 0.00 P ATOM 97 OP1 C A 45 1.057 10.308 5.527 1.00 0.00 O ATOM 98 OP2 C A 45 0.768 7.808 6.004 1.00 0.00 O ATOM 99 O5' C A 45 0.772 8.671 3.651 1.00 0.00 O ATOM 100 C5' C A 45 1.132 9.583 2.612 1.00 0.00 C ATOM 101 C4' C A 45 0.684 9.091 1.234 1.00 0.00 C ATOM 102 O4' C A 45 1.383 7.897 0.886 1.00 0.00 O ATOM 103 C3' C A 45 -0.785 8.732 1.102 1.00 0.00 C ATOM 104 O3' C A 45 -1.582 9.900 0.892 1.00 0.00 O ATOM 105 C2' C A 45 -0.763 7.879 -0.148 1.00 0.00 C ATOM 106 O2' C A 45 -0.721 8.681 -1.334 1.00 0.00 O ATOM 107 C1' C A 45 0.529 7.096 0.043 1.00 0.00 C ATOM 108 N1 C A 45 0.318 5.796 0.706 1.00 0.00 N ATOM 109 C2 C A 45 -0.057 4.733 -0.093 1.00 0.00 C ATOM 110 O2 C A 45 -0.208 4.898 -1.305 1.00 0.00 O ATOM 111 N3 C A 45 -0.261 3.523 0.501 1.00 0.00 N ATOM 112 C4 C A 45 -0.101 3.364 1.818 1.00 0.00 C ATOM 113 N4 C A 45 -0.306 2.162 2.360 1.00 0.00 N ATOM 114 C5 C A 45 0.284 4.464 2.648 1.00 0.00 C ATOM 115 C6 C A 45 0.474 5.657 2.054 1.00 0.00 C ATOM 0 H5' C A 45 2.213 9.724 2.612 1.00 0.00 H new ATOM 0 H5'' C A 45 0.683 10.556 2.813 1.00 0.00 H new ATOM 0 H4' C A 45 0.894 9.944 0.588 1.00 0.00 H new ATOM 0 H3' C A 45 -1.207 8.246 1.982 1.00 0.00 H new ATOM 0 H2' C A 45 -1.647 7.255 -0.274 1.00 0.00 H new ATOM 0 HO2' C A 45 -0.811 9.627 -1.093 1.00 0.00 H new ATOM 0 H1' C A 45 0.960 6.893 -0.937 1.00 0.00 H new ATOM 0 H41 C A 45 -0.187 2.028 3.364 1.00 0.00 H new ATOM 0 H42 C A 45 -0.582 1.377 1.770 1.00 0.00 H new ATOM 0 H5 C A 45 0.417 4.342 3.713 1.00 0.00 H new ATOM 0 H6 C A 45 0.753 6.513 2.651 1.00 0.00 H new ATOM 127 P U A 46 -3.132 9.919 1.337 1.00 0.00 P ATOM 128 OP1 U A 46 -3.657 11.286 1.123 1.00 0.00 O ATOM 129 OP2 U A 46 -3.235 9.294 2.675 1.00 0.00 O ATOM 130 O5' U A 46 -3.838 8.935 0.267 1.00 0.00 O ATOM 131 C5' U A 46 -3.886 9.288 -1.118 1.00 0.00 C ATOM 132 C4' U A 46 -4.544 8.202 -1.977 1.00 0.00 C ATOM 133 O4' U A 46 -3.750 7.010 -1.979 1.00 0.00 O ATOM 134 C3' U A 46 -5.917 7.760 -1.506 1.00 0.00 C ATOM 135 O3' U A 46 -6.919 8.689 -1.951 1.00 0.00 O ATOM 136 C2' U A 46 -6.043 6.432 -2.232 1.00 0.00 C ATOM 137 O2' U A 46 -6.406 6.616 -3.606 1.00 0.00 O ATOM 138 C1' U A 46 -4.630 5.872 -2.096 1.00 0.00 C ATOM 139 N1 U A 46 -4.452 5.034 -0.893 1.00 0.00 N ATOM 140 C2 U A 46 -4.815 3.702 -0.979 1.00 0.00 C ATOM 141 O2 U A 46 -5.240 3.204 -2.017 1.00 0.00 O ATOM 142 N3 U A 46 -4.671 2.958 0.175 1.00 0.00 N ATOM 143 C4 U A 46 -4.204 3.419 1.391 1.00 0.00 C ATOM 144 O4 U A 46 -4.122 2.664 2.355 1.00 0.00 O ATOM 145 C5 U A 46 -3.847 4.820 1.392 1.00 0.00 C ATOM 146 C6 U A 46 -3.980 5.571 0.273 1.00 0.00 C ATOM 0 H5' U A 46 -2.874 9.469 -1.479 1.00 0.00 H new ATOM 0 H5'' U A 46 -4.437 10.221 -1.233 1.00 0.00 H new ATOM 0 H4' U A 46 -4.633 8.670 -2.957 1.00 0.00 H new ATOM 0 H3' U A 46 -6.040 7.698 -0.425 1.00 0.00 H new ATOM 0 H2' U A 46 -6.818 5.780 -1.830 1.00 0.00 H new ATOM 0 HO2' U A 46 -6.726 7.532 -3.740 1.00 0.00 H new ATOM 0 H1' U A 46 -4.420 5.242 -2.960 1.00 0.00 H new ATOM 0 H3 U A 46 -4.935 1.974 0.125 1.00 0.00 H new ATOM 0 H5 U A 46 -3.469 5.273 2.297 1.00 0.00 H new ATOM 0 H6 U A 46 -3.708 6.616 0.302 1.00 0.00 H new ATOM 157 P C A 47 -8.282 8.906 -1.105 1.00 0.00 P ATOM 158 OP1 C A 47 -9.026 10.028 -1.720 1.00 0.00 O ATOM 159 OP2 C A 47 -7.922 8.968 0.329 1.00 0.00 O ATOM 160 O5' C A 47 -9.135 7.555 -1.344 1.00 0.00 O ATOM 161 C5' C A 47 -9.649 7.238 -2.641 1.00 0.00 C ATOM 162 C4' C A 47 -10.306 5.857 -2.677 1.00 0.00 C ATOM 163 O4' C A 47 -9.345 4.839 -2.500 1.00 0.00 O ATOM 164 C3' C A 47 -11.372 5.611 -1.625 1.00 0.00 C ATOM 165 O3' C A 47 -12.611 6.180 -2.078 1.00 0.00 O ATOM 166 C2' C A 47 -11.432 4.089 -1.595 1.00 0.00 C ATOM 167 O2' C A 47 -12.334 3.590 -2.586 1.00 0.00 O ATOM 168 C1' C A 47 -9.981 3.687 -1.916 1.00 0.00 C ATOM 169 N1 C A 47 -9.167 3.333 -0.747 1.00 0.00 N ATOM 170 C2 C A 47 -9.222 2.032 -0.289 1.00 0.00 C ATOM 171 O2 C A 47 -9.962 1.215 -0.840 1.00 0.00 O ATOM 172 N3 C A 47 -8.427 1.694 0.767 1.00 0.00 N ATOM 173 C4 C A 47 -7.620 2.598 1.340 1.00 0.00 C ATOM 174 N4 C A 47 -6.844 2.233 2.360 1.00 0.00 N ATOM 175 C5 C A 47 -7.578 3.945 0.871 1.00 0.00 C ATOM 176 C6 C A 47 -8.369 4.265 -0.165 1.00 0.00 C ATOM 0 H5' C A 47 -8.839 7.273 -3.370 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.377 7.993 -2.937 1.00 0.00 H new ATOM 0 H4' C A 47 -10.781 5.835 -3.658 1.00 0.00 H new ATOM 0 H3' C A 47 -11.175 6.048 -0.646 1.00 0.00 H new ATOM 0 H2' C A 47 -11.793 3.689 -0.648 1.00 0.00 H new ATOM 0 HO2' C A 47 -12.565 2.660 -2.379 1.00 0.00 H new ATOM 0 H1' C A 47 -10.039 2.808 -2.558 1.00 0.00 H new ATOM 0 H41 C A 47 -6.227 2.915 2.801 1.00 0.00 H new ATOM 0 H42 C A 47 -6.867 1.271 2.699 1.00 0.00 H new ATOM 0 H5 C A 47 -6.934 4.679 1.332 1.00 0.00 H new ATOM 0 H6 C A 47 -8.371 5.277 -0.541 1.00 0.00 H new ATOM 188 P U A 48 -13.744 6.714 -1.056 1.00 0.00 P ATOM 189 OP1 U A 48 -14.803 7.371 -1.854 1.00 0.00 O ATOM 190 OP2 U A 48 -13.067 7.468 0.022 1.00 0.00 O ATOM 191 O5' U A 48 -14.370 5.376 -0.409 1.00 0.00 O ATOM 192 C5' U A 48 -15.724 5.391 0.071 1.00 0.00 C ATOM 193 C4' U A 48 -16.177 4.023 0.578 1.00 0.00 C ATOM 194 O4' U A 48 -16.302 3.105 -0.520 1.00 0.00 O ATOM 195 C3' U A 48 -15.222 3.398 1.598 1.00 0.00 C ATOM 196 O3' U A 48 -16.005 2.721 2.600 1.00 0.00 O ATOM 197 C2' U A 48 -14.472 2.384 0.742 1.00 0.00 C ATOM 198 O2' U A 48 -13.956 1.300 1.516 1.00 0.00 O ATOM 199 C1' U A 48 -15.561 1.931 -0.201 1.00 0.00 C ATOM 200 N1 U A 48 -15.094 1.315 -1.468 1.00 0.00 N ATOM 201 C2 U A 48 -15.526 0.030 -1.759 1.00 0.00 C ATOM 202 O2 U A 48 -16.249 -0.604 -0.993 1.00 0.00 O ATOM 203 N3 U A 48 -15.096 -0.501 -2.960 1.00 0.00 N ATOM 204 C4 U A 48 -14.282 0.127 -3.885 1.00 0.00 C ATOM 205 O4 U A 48 -13.962 -0.442 -4.926 1.00 0.00 O ATOM 206 C5 U A 48 -13.879 1.461 -3.503 1.00 0.00 C ATOM 207 C6 U A 48 -14.288 2.005 -2.330 1.00 0.00 C ATOM 0 H5' U A 48 -16.387 5.716 -0.731 1.00 0.00 H new ATOM 0 H5'' U A 48 -15.814 6.121 0.875 1.00 0.00 H new ATOM 0 H4' U A 48 -17.133 4.197 1.071 1.00 0.00 H new ATOM 0 H3' U A 48 -14.568 4.102 2.113 1.00 0.00 H new ATOM 0 H2' U A 48 -13.591 2.791 0.247 1.00 0.00 H new ATOM 0 HO2' U A 48 -12.985 1.398 1.610 1.00 0.00 H new ATOM 0 H1' U A 48 -16.130 1.148 0.299 1.00 0.00 H new ATOM 0 H3 U A 48 -15.408 -1.445 -3.186 1.00 0.00 H new ATOM 0 H5 U A 48 -13.243 2.033 -4.162 1.00 0.00 H new ATOM 0 H6 U A 48 -13.970 3.004 -2.071 1.00 0.00 H new ATOM 218 P U A 49 -15.555 2.573 4.154 1.00 0.00 P ATOM 219 OP1 U A 49 -16.672 1.942 4.893 1.00 0.00 O ATOM 220 OP2 U A 49 -15.032 3.883 4.602 1.00 0.00 O ATOM 221 O5' U A 49 -14.327 1.533 4.130 1.00 0.00 O ATOM 222 C5' U A 49 -14.500 0.190 3.686 1.00 0.00 C ATOM 223 C4' U A 49 -13.160 -0.539 3.631 1.00 0.00 C ATOM 224 O4' U A 49 -12.269 0.198 2.775 1.00 0.00 O ATOM 225 C3' U A 49 -12.444 -0.683 4.976 1.00 0.00 C ATOM 226 O3' U A 49 -11.827 -1.971 4.989 1.00 0.00 O ATOM 227 C2' U A 49 -11.391 0.401 4.990 1.00 0.00 C ATOM 228 O2' U A 49 -10.212 -0.020 5.682 1.00 0.00 O ATOM 229 C1' U A 49 -11.115 0.633 3.522 1.00 0.00 C ATOM 230 N1 U A 49 -10.847 2.048 3.210 1.00 0.00 N ATOM 231 C2 U A 49 -9.566 2.510 3.429 1.00 0.00 C ATOM 232 O2 U A 49 -8.682 1.787 3.880 1.00 0.00 O ATOM 233 N3 U A 49 -9.338 3.839 3.123 1.00 0.00 N ATOM 234 C4 U A 49 -10.267 4.731 2.621 1.00 0.00 C ATOM 235 O4 U A 49 -9.955 5.896 2.382 1.00 0.00 O ATOM 236 C5 U A 49 -11.579 4.161 2.423 1.00 0.00 C ATOM 237 C6 U A 49 -11.825 2.862 2.723 1.00 0.00 C ATOM 0 H5' U A 49 -14.963 0.185 2.699 1.00 0.00 H new ATOM 0 H5'' U A 49 -15.178 -0.336 4.358 1.00 0.00 H new ATOM 0 H4' U A 49 -13.394 -1.542 3.273 1.00 0.00 H new ATOM 0 H3' U A 49 -13.106 -0.592 5.837 1.00 0.00 H new ATOM 0 H2' U A 49 -11.716 1.301 5.511 1.00 0.00 H new ATOM 0 HO2' U A 49 -10.464 -0.562 6.458 1.00 0.00 H new ATOM 0 H1' U A 49 -10.222 0.070 3.253 1.00 0.00 H new ATOM 0 H3 U A 49 -8.395 4.195 3.283 1.00 0.00 H new ATOM 0 H5 U A 49 -12.374 4.777 2.031 1.00 0.00 H new ATOM 0 H6 U A 49 -12.818 2.464 2.573 1.00 0.00 H new ATOM 248 P G A 50 -11.296 -2.689 6.327 1.00 0.00 P ATOM 249 OP1 G A 50 -12.425 -2.812 7.277 1.00 0.00 O ATOM 250 OP2 G A 50 -10.033 -2.043 6.747 1.00 0.00 O ATOM 251 O5' G A 50 -10.954 -4.149 5.745 1.00 0.00 O ATOM 252 C5' G A 50 -12.014 -5.018 5.339 1.00 0.00 C ATOM 253 C4' G A 50 -11.517 -6.167 4.473 1.00 0.00 C ATOM 254 O4' G A 50 -11.134 -5.634 3.210 1.00 0.00 O ATOM 255 C3' G A 50 -10.314 -6.917 5.035 1.00 0.00 C ATOM 256 O3' G A 50 -10.681 -8.229 5.434 1.00 0.00 O ATOM 257 C2' G A 50 -9.364 -7.021 3.848 1.00 0.00 C ATOM 258 O2' G A 50 -9.599 -8.222 3.103 1.00 0.00 O ATOM 259 C1' G A 50 -9.728 -5.796 3.038 1.00 0.00 C ATOM 260 N9 G A 50 -9.068 -4.554 3.486 1.00 0.00 N ATOM 261 C8 G A 50 -8.358 -4.319 4.636 1.00 0.00 C ATOM 262 N7 G A 50 -7.841 -3.128 4.706 1.00 0.00 N ATOM 263 C5 G A 50 -8.227 -2.528 3.517 1.00 0.00 C ATOM 264 C6 G A 50 -7.958 -1.223 3.039 1.00 0.00 C ATOM 265 O6 G A 50 -7.301 -0.337 3.586 1.00 0.00 O ATOM 266 N1 G A 50 -8.541 -1.008 1.793 1.00 0.00 N ATOM 267 C2 G A 50 -9.283 -1.944 1.094 1.00 0.00 C ATOM 268 N2 G A 50 -9.765 -1.565 -0.092 1.00 0.00 N ATOM 269 N3 G A 50 -9.530 -3.175 1.548 1.00 0.00 N ATOM 270 C4 G A 50 -8.975 -3.394 2.761 1.00 0.00 C ATOM 0 H5' G A 50 -12.759 -4.445 4.787 1.00 0.00 H new ATOM 0 H5'' G A 50 -12.511 -5.420 6.222 1.00 0.00 H new ATOM 0 H4' G A 50 -12.338 -6.882 4.417 1.00 0.00 H new ATOM 0 H3' G A 50 -9.889 -6.415 5.904 1.00 0.00 H new ATOM 0 H2' G A 50 -8.312 -7.062 4.131 1.00 0.00 H new ATOM 0 HO2' G A 50 -9.153 -8.974 3.546 1.00 0.00 H new ATOM 0 H1' G A 50 -9.408 -5.952 2.008 1.00 0.00 H new ATOM 0 H8 G A 50 -8.239 -5.058 5.415 1.00 0.00 H new ATOM 0 H1 G A 50 -8.412 -0.092 1.363 1.00 0.00 H new ATOM 0 H21 G A 50 -10.319 -2.216 -0.649 1.00 0.00 H new ATOM 0 H22 G A 50 -9.579 -0.625 -0.441 1.00 0.00 H new ATOM 282 P U A 51 -9.563 -9.169 6.093 1.00 0.00 P ATOM 283 OP1 U A 51 -10.221 -10.404 6.578 1.00 0.00 O ATOM 284 OP2 U A 51 -8.750 -8.350 7.020 1.00 0.00 O ATOM 285 O5' U A 51 -8.654 -9.547 4.819 1.00 0.00 O ATOM 286 C5' U A 51 -7.307 -9.984 4.991 1.00 0.00 C ATOM 287 C4' U A 51 -6.736 -10.534 3.692 1.00 0.00 C ATOM 288 O4' U A 51 -7.465 -11.707 3.325 1.00 0.00 O ATOM 289 C3' U A 51 -6.787 -9.581 2.503 1.00 0.00 C ATOM 290 O3' U A 51 -5.603 -9.798 1.733 1.00 0.00 O ATOM 291 C2' U A 51 -8.018 -10.002 1.722 1.00 0.00 C ATOM 292 O2' U A 51 -7.798 -9.892 0.312 1.00 0.00 O ATOM 293 C1' U A 51 -8.227 -11.461 2.136 1.00 0.00 C ATOM 294 N1 U A 51 -9.638 -11.840 2.424 1.00 0.00 N ATOM 295 C2 U A 51 -10.127 -12.996 1.833 1.00 0.00 C ATOM 296 O2 U A 51 -9.439 -13.686 1.084 1.00 0.00 O ATOM 297 N3 U A 51 -11.433 -13.333 2.136 1.00 0.00 N ATOM 298 C4 U A 51 -12.287 -12.629 2.965 1.00 0.00 C ATOM 299 O4 U A 51 -13.435 -13.023 3.162 1.00 0.00 O ATOM 300 C5 U A 51 -11.701 -11.440 3.540 1.00 0.00 C ATOM 301 C6 U A 51 -10.423 -11.086 3.262 1.00 0.00 C ATOM 0 H5' U A 51 -7.267 -10.753 5.763 1.00 0.00 H new ATOM 0 H5'' U A 51 -6.694 -9.152 5.337 1.00 0.00 H new ATOM 0 H4' U A 51 -5.683 -10.724 3.902 1.00 0.00 H new ATOM 0 H3' U A 51 -6.838 -8.527 2.777 1.00 0.00 H new ATOM 0 H2' U A 51 -8.885 -9.375 1.931 1.00 0.00 H new ATOM 0 HO2' U A 51 -8.606 -10.171 -0.168 1.00 0.00 H new ATOM 0 H1' U A 51 -7.910 -12.059 1.282 1.00 0.00 H new ATOM 0 H3 U A 51 -11.802 -14.182 1.707 1.00 0.00 H new ATOM 0 H5 U A 51 -12.291 -10.824 4.202 1.00 0.00 H new ATOM 0 H6 U A 51 -10.013 -10.192 3.709 1.00 0.00 H new ATOM 312 P A A 52 -4.431 -8.705 1.578 1.00 0.00 P ATOM 313 OP1 A A 52 -3.278 -9.356 0.916 1.00 0.00 O ATOM 314 OP2 A A 52 -4.247 -8.038 2.886 1.00 0.00 O ATOM 315 O5' A A 52 -5.055 -7.634 0.555 1.00 0.00 O ATOM 316 C5' A A 52 -5.965 -8.060 -0.457 1.00 0.00 C ATOM 317 C4' A A 52 -6.323 -6.927 -1.409 1.00 0.00 C ATOM 318 O4' A A 52 -7.024 -5.869 -0.741 1.00 0.00 O ATOM 319 C3' A A 52 -5.108 -6.272 -2.031 1.00 0.00 C ATOM 320 O3' A A 52 -4.672 -7.061 -3.145 1.00 0.00 O ATOM 321 C2' A A 52 -5.676 -4.945 -2.489 1.00 0.00 C ATOM 322 O2' A A 52 -6.377 -5.075 -3.731 1.00 0.00 O ATOM 323 C1' A A 52 -6.627 -4.615 -1.343 1.00 0.00 C ATOM 324 N9 A A 52 -6.023 -3.784 -0.287 1.00 0.00 N ATOM 325 C8 A A 52 -5.565 -4.161 0.951 1.00 0.00 C ATOM 326 N7 A A 52 -5.119 -3.166 1.670 1.00 0.00 N ATOM 327 C5 A A 52 -5.294 -2.054 0.848 1.00 0.00 C ATOM 328 C6 A A 52 -5.016 -0.687 1.023 1.00 0.00 C ATOM 329 N6 A A 52 -4.485 -0.189 2.136 1.00 0.00 N ATOM 330 N1 A A 52 -5.308 0.140 0.006 1.00 0.00 N ATOM 331 C2 A A 52 -5.842 -0.364 -1.103 1.00 0.00 C ATOM 332 N3 A A 52 -6.151 -1.620 -1.384 1.00 0.00 N ATOM 333 C4 A A 52 -5.844 -2.424 -0.344 1.00 0.00 C ATOM 0 H5' A A 52 -6.873 -8.444 0.009 1.00 0.00 H new ATOM 0 H5'' A A 52 -5.523 -8.882 -1.020 1.00 0.00 H new ATOM 0 H4' A A 52 -6.938 -7.405 -2.171 1.00 0.00 H new ATOM 0 H3' A A 52 -4.247 -6.167 -1.371 1.00 0.00 H new ATOM 0 H2' A A 52 -4.924 -4.180 -2.679 1.00 0.00 H new ATOM 0 HO2' A A 52 -6.320 -6.002 -4.044 1.00 0.00 H new ATOM 0 H1' A A 52 -7.458 -4.047 -1.761 1.00 0.00 H new ATOM 0 H8 A A 52 -5.573 -5.184 1.298 1.00 0.00 H new ATOM 0 H61 A A 52 -4.303 0.812 2.211 1.00 0.00 H new ATOM 0 H62 A A 52 -4.260 -0.808 2.915 1.00 0.00 H new ATOM 0 H2 A A 52 -6.053 0.352 -1.884 1.00 0.00 H new ATOM 345 P G A 53 -3.132 -7.066 -3.617 1.00 0.00 P ATOM 346 OP1 G A 53 -2.982 -8.061 -4.703 1.00 0.00 O ATOM 347 OP2 G A 53 -2.277 -7.154 -2.412 1.00 0.00 O ATOM 348 O5' G A 53 -2.963 -5.602 -4.249 1.00 0.00 O ATOM 349 C5' G A 53 -3.689 -5.238 -5.421 1.00 0.00 C ATOM 350 C4' G A 53 -3.499 -3.764 -5.743 1.00 0.00 C ATOM 351 O4' G A 53 -4.058 -2.956 -4.705 1.00 0.00 O ATOM 352 C3' G A 53 -2.053 -3.322 -5.850 1.00 0.00 C ATOM 353 O3' G A 53 -1.519 -3.638 -7.140 1.00 0.00 O ATOM 354 C2' G A 53 -2.205 -1.823 -5.686 1.00 0.00 C ATOM 355 O2' G A 53 -2.650 -1.203 -6.898 1.00 0.00 O ATOM 356 C1' G A 53 -3.271 -1.756 -4.597 1.00 0.00 C ATOM 357 N9 G A 53 -2.704 -1.686 -3.239 1.00 0.00 N ATOM 358 C8 G A 53 -2.484 -2.693 -2.335 1.00 0.00 C ATOM 359 N7 G A 53 -1.946 -2.291 -1.217 1.00 0.00 N ATOM 360 C5 G A 53 -1.794 -0.920 -1.395 1.00 0.00 C ATOM 361 C6 G A 53 -1.257 0.059 -0.515 1.00 0.00 C ATOM 362 O6 G A 53 -0.814 -0.103 0.624 1.00 0.00 O ATOM 363 N1 G A 53 -1.285 1.328 -1.090 1.00 0.00 N ATOM 364 C2 G A 53 -1.772 1.615 -2.354 1.00 0.00 C ATOM 365 N2 G A 53 -1.716 2.890 -2.747 1.00 0.00 N ATOM 366 N3 G A 53 -2.278 0.693 -3.172 1.00 0.00 N ATOM 367 C4 G A 53 -2.256 -0.544 -2.630 1.00 0.00 C ATOM 0 H5' G A 53 -4.749 -5.449 -5.277 1.00 0.00 H new ATOM 0 H5'' G A 53 -3.355 -5.844 -6.263 1.00 0.00 H new ATOM 0 H4' G A 53 -3.987 -3.639 -6.710 1.00 0.00 H new ATOM 0 H3' G A 53 -1.379 -3.794 -5.135 1.00 0.00 H new ATOM 0 H2' G A 53 -1.280 -1.302 -5.441 1.00 0.00 H new ATOM 0 HO2' G A 53 -2.670 -1.868 -7.618 1.00 0.00 H new ATOM 0 H1' G A 53 -3.858 -0.849 -4.742 1.00 0.00 H new ATOM 0 H8 G A 53 -2.734 -3.725 -2.531 1.00 0.00 H new ATOM 0 H1 G A 53 -0.919 2.104 -0.538 1.00 0.00 H new ATOM 0 H21 G A 53 -2.062 3.155 -3.669 1.00 0.00 H new ATOM 0 H22 G A 53 -1.328 3.599 -2.125 1.00 0.00 H new ATOM 379 P A A 54 0.059 -3.917 -7.320 1.00 0.00 P ATOM 380 OP1 A A 54 0.303 -4.306 -8.726 1.00 0.00 O ATOM 381 OP2 A A 54 0.502 -4.802 -6.220 1.00 0.00 O ATOM 382 O5' A A 54 0.693 -2.459 -7.082 1.00 0.00 O ATOM 383 C5' A A 54 0.423 -1.395 -7.988 1.00 0.00 C ATOM 384 C4' A A 54 0.967 -0.069 -7.469 1.00 0.00 C ATOM 385 O4' A A 54 0.291 0.321 -6.268 1.00 0.00 O ATOM 386 C3' A A 54 2.437 -0.064 -7.097 1.00 0.00 C ATOM 387 O3' A A 54 3.262 0.105 -8.247 1.00 0.00 O ATOM 388 C2' A A 54 2.512 1.181 -6.244 1.00 0.00 C ATOM 389 O2' A A 54 2.588 2.364 -7.047 1.00 0.00 O ATOM 390 C1' A A 54 1.204 1.112 -5.478 1.00 0.00 C ATOM 391 N9 A A 54 1.343 0.488 -4.150 1.00 0.00 N ATOM 392 C8 A A 54 1.081 -0.800 -3.760 1.00 0.00 C ATOM 393 N7 A A 54 1.303 -1.022 -2.494 1.00 0.00 N ATOM 394 C5 A A 54 1.748 0.206 -2.016 1.00 0.00 C ATOM 395 C6 A A 54 2.155 0.639 -0.746 1.00 0.00 C ATOM 396 N6 A A 54 2.172 -0.154 0.325 1.00 0.00 N ATOM 397 N1 A A 54 2.541 1.921 -0.628 1.00 0.00 N ATOM 398 C2 A A 54 2.521 2.706 -1.698 1.00 0.00 C ATOM 399 N3 A A 54 2.158 2.418 -2.935 1.00 0.00 N ATOM 400 C4 A A 54 1.777 1.128 -3.021 1.00 0.00 C ATOM 0 H5' A A 54 -0.653 -1.312 -8.144 1.00 0.00 H new ATOM 0 H5'' A A 54 0.869 -1.618 -8.957 1.00 0.00 H new ATOM 0 H4' A A 54 0.808 0.604 -8.311 1.00 0.00 H new ATOM 0 H3' A A 54 2.771 -0.985 -6.619 1.00 0.00 H new ATOM 0 H2' A A 54 3.395 1.225 -5.606 1.00 0.00 H new ATOM 0 HO2' A A 54 2.575 2.117 -7.995 1.00 0.00 H new ATOM 0 H1' A A 54 0.848 2.129 -5.312 1.00 0.00 H new ATOM 0 H8 A A 54 0.724 -1.561 -4.438 1.00 0.00 H new ATOM 0 H61 A A 54 2.478 0.213 1.226 1.00 0.00 H new ATOM 0 H62 A A 54 1.879 -1.128 0.243 1.00 0.00 H new ATOM 0 H2 A A 54 2.847 3.722 -1.534 1.00 0.00 H new ATOM 412 P U A 55 4.770 -0.454 -8.262 1.00 0.00 P ATOM 413 OP1 U A 55 5.358 -0.186 -9.593 1.00 0.00 O ATOM 414 OP2 U A 55 4.767 -1.828 -7.711 1.00 0.00 O ATOM 415 O5' U A 55 5.464 0.525 -7.190 1.00 0.00 O ATOM 416 C5' U A 55 5.545 1.926 -7.439 1.00 0.00 C ATOM 417 C4' U A 55 6.073 2.686 -6.224 1.00 0.00 C ATOM 418 O4' U A 55 5.169 2.546 -5.127 1.00 0.00 O ATOM 419 C3' U A 55 7.401 2.197 -5.679 1.00 0.00 C ATOM 420 O3' U A 55 8.481 2.740 -6.448 1.00 0.00 O ATOM 421 C2' U A 55 7.390 2.806 -4.290 1.00 0.00 C ATOM 422 O2' U A 55 7.841 4.166 -4.309 1.00 0.00 O ATOM 423 C1' U A 55 5.915 2.712 -3.905 1.00 0.00 C ATOM 424 N1 U A 55 5.629 1.570 -3.017 1.00 0.00 N ATOM 425 C2 U A 55 5.859 1.758 -1.673 1.00 0.00 C ATOM 426 O2 U A 55 6.270 2.828 -1.227 1.00 0.00 O ATOM 427 N3 U A 55 5.604 0.676 -0.855 1.00 0.00 N ATOM 428 C4 U A 55 5.138 -0.562 -1.256 1.00 0.00 C ATOM 429 O4 U A 55 4.938 -1.449 -0.428 1.00 0.00 O ATOM 430 C5 U A 55 4.925 -0.673 -2.684 1.00 0.00 C ATOM 431 C6 U A 55 5.178 0.374 -3.507 1.00 0.00 C ATOM 0 H5' U A 55 4.559 2.306 -7.705 1.00 0.00 H new ATOM 0 H5'' U A 55 6.198 2.107 -8.293 1.00 0.00 H new ATOM 0 H4' U A 55 6.187 3.705 -6.593 1.00 0.00 H new ATOM 0 H3' U A 55 7.528 1.115 -5.698 1.00 0.00 H new ATOM 0 H2' U A 55 8.056 2.303 -3.589 1.00 0.00 H new ATOM 0 HO2' U A 55 8.080 4.419 -5.225 1.00 0.00 H new ATOM 0 H1' U A 55 5.638 3.615 -3.362 1.00 0.00 H new ATOM 0 H3 U A 55 5.776 0.802 0.142 1.00 0.00 H new ATOM 0 H5 U A 55 4.560 -1.601 -3.098 1.00 0.00 H new ATOM 0 H6 U A 55 5.021 0.262 -4.570 1.00 0.00 H new ATOM 442 P C A 56 9.889 1.960 -6.584 1.00 0.00 P ATOM 443 OP1 C A 56 10.738 2.712 -7.535 1.00 0.00 O ATOM 444 OP2 C A 56 9.599 0.530 -6.832 1.00 0.00 O ATOM 445 O5' C A 56 10.549 2.090 -5.117 1.00 0.00 O ATOM 446 C5' C A 56 10.935 3.363 -4.594 1.00 0.00 C ATOM 447 C4' C A 56 11.429 3.260 -3.149 1.00 0.00 C ATOM 448 O4' C A 56 10.383 2.858 -2.277 1.00 0.00 O ATOM 449 C3' C A 56 12.534 2.248 -2.924 1.00 0.00 C ATOM 450 O3' C A 56 13.789 2.832 -3.289 1.00 0.00 O ATOM 451 C2' C A 56 12.458 2.008 -1.423 1.00 0.00 C ATOM 452 O2' C A 56 13.304 2.914 -0.705 1.00 0.00 O ATOM 453 C1' C A 56 10.975 2.256 -1.109 1.00 0.00 C ATOM 454 N1 C A 56 10.212 1.027 -0.813 1.00 0.00 N ATOM 455 C2 C A 56 10.263 0.530 0.481 1.00 0.00 C ATOM 456 O2 C A 56 10.938 1.103 1.334 1.00 0.00 O ATOM 457 N3 C A 56 9.551 -0.599 0.769 1.00 0.00 N ATOM 458 C4 C A 56 8.825 -1.209 -0.182 1.00 0.00 C ATOM 459 N4 C A 56 8.133 -2.304 0.121 1.00 0.00 N ATOM 460 C5 C A 56 8.779 -0.700 -1.515 1.00 0.00 C ATOM 461 C6 C A 56 9.485 0.411 -1.785 1.00 0.00 C ATOM 0 H5' C A 56 10.087 4.047 -4.640 1.00 0.00 H new ATOM 0 H5'' C A 56 11.722 3.788 -5.217 1.00 0.00 H new ATOM 0 H4' C A 56 11.804 4.263 -2.943 1.00 0.00 H new ATOM 0 H3' C A 56 12.437 1.331 -3.506 1.00 0.00 H new ATOM 0 H2' C A 56 12.797 1.014 -1.130 1.00 0.00 H new ATOM 0 HO2' C A 56 13.233 2.736 0.256 1.00 0.00 H new ATOM 0 H1' C A 56 10.934 2.885 -0.220 1.00 0.00 H new ATOM 0 H41 C A 56 7.579 -2.772 -0.596 1.00 0.00 H new ATOM 0 H42 C A 56 8.156 -2.675 1.071 1.00 0.00 H new ATOM 0 H5 C A 56 8.197 -1.191 -2.280 1.00 0.00 H new ATOM 0 H6 C A 56 9.475 0.820 -2.785 1.00 0.00 H new ATOM 473 P A A 57 15.026 1.927 -3.784 1.00 0.00 P ATOM 474 OP1 A A 57 16.114 2.832 -4.219 1.00 0.00 O ATOM 475 OP2 A A 57 14.504 0.904 -4.717 1.00 0.00 O ATOM 476 O5' A A 57 15.503 1.181 -2.437 1.00 0.00 O ATOM 477 C5' A A 57 16.037 1.939 -1.348 1.00 0.00 C ATOM 478 C4' A A 57 16.413 1.055 -0.160 1.00 0.00 C ATOM 479 O4' A A 57 15.220 0.512 0.429 1.00 0.00 O ATOM 480 C3' A A 57 17.316 -0.126 -0.530 1.00 0.00 C ATOM 481 O3' A A 57 18.331 -0.331 0.459 1.00 0.00 O ATOM 482 C2' A A 57 16.359 -1.303 -0.563 1.00 0.00 C ATOM 483 O2' A A 57 17.019 -2.527 -0.222 1.00 0.00 O ATOM 484 C1' A A 57 15.336 -0.912 0.484 1.00 0.00 C ATOM 485 N9 A A 57 14.000 -1.501 0.273 1.00 0.00 N ATOM 486 C8 A A 57 13.251 -1.551 -0.873 1.00 0.00 C ATOM 487 N7 A A 57 12.113 -2.174 -0.734 1.00 0.00 N ATOM 488 C5 A A 57 12.109 -2.565 0.602 1.00 0.00 C ATOM 489 C6 A A 57 11.179 -3.271 1.383 1.00 0.00 C ATOM 490 N6 A A 57 10.022 -3.729 0.905 1.00 0.00 N ATOM 491 N1 A A 57 11.492 -3.484 2.673 1.00 0.00 N ATOM 492 C2 A A 57 12.647 -3.028 3.142 1.00 0.00 C ATOM 493 N3 A A 57 13.598 -2.357 2.512 1.00 0.00 N ATOM 494 C4 A A 57 13.255 -2.158 1.223 1.00 0.00 C ATOM 0 H5' A A 57 15.304 2.680 -1.030 1.00 0.00 H new ATOM 0 H5'' A A 57 16.918 2.486 -1.685 1.00 0.00 H new ATOM 0 H4' A A 57 16.962 1.698 0.527 1.00 0.00 H new ATOM 0 H3' A A 57 17.844 0.027 -1.471 1.00 0.00 H new ATOM 0 H2' A A 57 15.928 -1.488 -1.547 1.00 0.00 H new ATOM 0 HO2' A A 57 16.375 -3.265 -0.251 1.00 0.00 H new ATOM 0 HO3' A A 57 18.312 -1.264 0.759 1.00 0.00 H new ATOM 0 H1' A A 57 15.680 -1.286 1.448 1.00 0.00 H new ATOM 0 H8 A A 57 13.573 -1.114 -1.807 1.00 0.00 H new ATOM 0 H61 A A 57 9.382 -4.236 1.517 1.00 0.00 H new ATOM 0 H62 A A 57 9.776 -3.572 -0.072 1.00 0.00 H new ATOM 0 H2 A A 57 12.838 -3.234 4.185 1.00 0.00 H new TER 507 A A 57