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 -2:sc= -0.683 USER MOD Single : A 42 G O5' : rot 180:sc= 0 USER MOD Single : A 43 A O2' : rot 180:sc= -0.165 USER MOD Single : A 44 U O2' : rot 180:sc= -0.103 USER MOD Single : A 45 C O2' : rot -10:sc= -0.274 USER MOD Single : A 46 U O2' : rot 180:sc= -0.251 USER MOD Single : A 47 C O2' : rot -159:sc= -2.45! USER MOD Single : A 48 U O2' : rot -115:sc= -6.9! USER MOD Single : A 49 U O2' : rot -45:sc= 0.426 USER MOD Single : A 50 G O2' : rot 100:sc= -5.32! USER MOD Single : A 51 U O2' : rot 180:sc= -4.63! USER MOD Single : A 52 A O2' : rot 180:sc= -0.285 USER MOD Single : A 53 G O2' : rot -12:sc= -0.0902 USER MOD Single : A 54 A O2' : rot 1:sc= -1.82! USER MOD Single : A 55 U O2' : rot -1:sc= -0.968 USER MOD Single : A 56 C O2' : rot 180:sc= -2.4! USER MOD Single : A 57 A O2' : rot 180:sc= 0 USER MOD Single : A 57 A O3' : rot 127:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 5.191 -4.886 10.266 1.00 0.00 O ATOM 2 C5' G A 42 6.139 -4.402 11.219 1.00 0.00 C ATOM 3 C4' G A 42 7.015 -3.309 10.626 1.00 0.00 C ATOM 4 O4' G A 42 7.864 -3.831 9.608 1.00 0.00 O ATOM 5 C3' G A 42 6.252 -2.163 9.989 1.00 0.00 C ATOM 6 O3' G A 42 5.837 -1.228 10.992 1.00 0.00 O ATOM 7 C2' G A 42 7.310 -1.570 9.089 1.00 0.00 C ATOM 8 O2' G A 42 8.193 -0.705 9.812 1.00 0.00 O ATOM 9 C1' G A 42 8.027 -2.822 8.600 1.00 0.00 C ATOM 10 N9 G A 42 7.483 -3.371 7.350 1.00 0.00 N ATOM 11 C8 G A 42 6.576 -4.381 7.188 1.00 0.00 C ATOM 12 N7 G A 42 6.278 -4.631 5.943 1.00 0.00 N ATOM 13 C5 G A 42 7.046 -3.716 5.228 1.00 0.00 C ATOM 14 C6 G A 42 7.144 -3.505 3.824 1.00 0.00 C ATOM 15 O6 G A 42 6.561 -4.104 2.925 1.00 0.00 O ATOM 16 N1 G A 42 8.035 -2.478 3.524 1.00 0.00 N ATOM 17 C2 G A 42 8.745 -1.751 4.463 1.00 0.00 C ATOM 18 N2 G A 42 9.560 -0.807 3.999 1.00 0.00 N ATOM 19 N3 G A 42 8.650 -1.952 5.777 1.00 0.00 N ATOM 20 C4 G A 42 7.787 -2.943 6.084 1.00 0.00 C ATOM 0 H5' G A 42 6.765 -5.226 11.562 1.00 0.00 H new ATOM 0 H5'' G A 42 5.614 -4.015 12.092 1.00 0.00 H new ATOM 0 H4' G A 42 7.571 -2.930 11.483 1.00 0.00 H new ATOM 0 H3' G A 42 5.340 -2.452 9.466 1.00 0.00 H new ATOM 0 H2' G A 42 6.913 -0.944 8.290 1.00 0.00 H new ATOM 0 HO2' G A 42 7.906 -0.653 10.748 1.00 0.00 H new ATOM 0 HO5' G A 42 4.644 -5.588 10.676 1.00 0.00 H new ATOM 0 H1' G A 42 9.064 -2.545 8.412 1.00 0.00 H new ATOM 0 H8 G A 42 6.145 -4.923 8.017 1.00 0.00 H new ATOM 0 H1 G A 42 8.174 -2.245 2.541 1.00 0.00 H new ATOM 0 H21 G A 42 10.107 -0.241 4.648 1.00 0.00 H new ATOM 0 H22 G A 42 9.638 -0.649 2.994 1.00 0.00 H new ATOM 33 P A A 43 4.540 -0.292 10.776 1.00 0.00 P ATOM 34 OP1 A A 43 4.300 0.462 12.027 1.00 0.00 O ATOM 35 OP2 A A 43 3.459 -1.124 10.199 1.00 0.00 O ATOM 36 O5' A A 43 5.031 0.748 9.648 1.00 0.00 O ATOM 37 C5' A A 43 6.082 1.670 9.937 1.00 0.00 C ATOM 38 C4' A A 43 6.498 2.473 8.705 1.00 0.00 C ATOM 39 O4' A A 43 7.074 1.615 7.713 1.00 0.00 O ATOM 40 C3' A A 43 5.366 3.195 7.999 1.00 0.00 C ATOM 41 O3' A A 43 5.073 4.430 8.672 1.00 0.00 O ATOM 42 C2' A A 43 5.979 3.437 6.637 1.00 0.00 C ATOM 43 O2' A A 43 6.864 4.564 6.649 1.00 0.00 O ATOM 44 C1' A A 43 6.733 2.132 6.410 1.00 0.00 C ATOM 45 N9 A A 43 5.934 1.103 5.709 1.00 0.00 N ATOM 46 C8 A A 43 5.205 0.070 6.241 1.00 0.00 C ATOM 47 N7 A A 43 4.595 -0.662 5.351 1.00 0.00 N ATOM 48 C5 A A 43 4.941 -0.073 4.142 1.00 0.00 C ATOM 49 C6 A A 43 4.611 -0.376 2.812 1.00 0.00 C ATOM 50 N6 A A 43 3.831 -1.404 2.464 1.00 0.00 N ATOM 51 N1 A A 43 5.121 0.418 1.859 1.00 0.00 N ATOM 52 C2 A A 43 5.905 1.432 2.206 1.00 0.00 C ATOM 53 N3 A A 43 6.288 1.817 3.412 1.00 0.00 N ATOM 54 C4 A A 43 5.758 1.005 4.350 1.00 0.00 C ATOM 0 H5' A A 43 6.944 1.126 10.323 1.00 0.00 H new ATOM 0 H5'' A A 43 5.758 2.353 10.722 1.00 0.00 H new ATOM 0 H4' A A 43 7.197 3.208 9.104 1.00 0.00 H new ATOM 0 H3' A A 43 4.421 2.653 7.965 1.00 0.00 H new ATOM 0 H2' A A 43 5.254 3.673 5.858 1.00 0.00 H new ATOM 0 HO2' A A 43 7.244 4.691 5.755 1.00 0.00 H new ATOM 0 H1' A A 43 7.599 2.346 5.783 1.00 0.00 H new ATOM 0 H8 A A 43 5.142 -0.120 7.302 1.00 0.00 H new ATOM 0 H61 A A 43 3.624 -1.577 1.480 1.00 0.00 H new ATOM 0 H62 A A 43 3.443 -2.015 3.182 1.00 0.00 H new ATOM 0 H2 A A 43 6.283 2.026 1.388 1.00 0.00 H new ATOM 66 P U A 44 3.594 5.073 8.603 1.00 0.00 P ATOM 67 OP1 U A 44 3.561 6.244 9.509 1.00 0.00 O ATOM 68 OP2 U A 44 2.608 3.983 8.777 1.00 0.00 O ATOM 69 O5' U A 44 3.483 5.613 7.087 1.00 0.00 O ATOM 70 C5' U A 44 4.311 6.694 6.651 1.00 0.00 C ATOM 71 C4' U A 44 4.169 6.971 5.154 1.00 0.00 C ATOM 72 O4' U A 44 4.668 5.871 4.393 1.00 0.00 O ATOM 73 C3' U A 44 2.748 7.173 4.666 1.00 0.00 C ATOM 74 O3' U A 44 2.303 8.511 4.930 1.00 0.00 O ATOM 75 C2' U A 44 2.930 6.943 3.178 1.00 0.00 C ATOM 76 O2' U A 44 3.476 8.098 2.529 1.00 0.00 O ATOM 77 C1' U A 44 3.912 5.778 3.168 1.00 0.00 C ATOM 78 N1 U A 44 3.252 4.459 3.146 1.00 0.00 N ATOM 79 C2 U A 44 2.882 3.955 1.917 1.00 0.00 C ATOM 80 O2 U A 44 3.083 4.566 0.871 1.00 0.00 O ATOM 81 N3 U A 44 2.265 2.720 1.930 1.00 0.00 N ATOM 82 C4 U A 44 1.989 1.954 3.047 1.00 0.00 C ATOM 83 O4 U A 44 1.444 0.858 2.933 1.00 0.00 O ATOM 84 C5 U A 44 2.404 2.561 4.290 1.00 0.00 C ATOM 85 C6 U A 44 3.008 3.774 4.303 1.00 0.00 C ATOM 0 H5' U A 44 5.352 6.465 6.878 1.00 0.00 H new ATOM 0 H5'' U A 44 4.053 7.594 7.210 1.00 0.00 H new ATOM 0 H4' U A 44 4.728 7.896 5.014 1.00 0.00 H new ATOM 0 H3' U A 44 2.006 6.529 5.138 1.00 0.00 H new ATOM 0 H2' U A 44 2.001 6.745 2.643 1.00 0.00 H new ATOM 0 HO2' U A 44 3.582 7.916 1.572 1.00 0.00 H new ATOM 0 H1' U A 44 4.521 5.848 2.267 1.00 0.00 H new ATOM 0 H3 U A 44 1.986 2.335 1.028 1.00 0.00 H new ATOM 0 H5 U A 44 2.231 2.042 5.221 1.00 0.00 H new ATOM 0 H6 U A 44 3.303 4.208 5.247 1.00 0.00 H new ATOM 96 P C A 45 0.729 8.808 5.139 1.00 0.00 P ATOM 97 OP1 C A 45 0.577 10.224 5.543 1.00 0.00 O ATOM 98 OP2 C A 45 0.168 7.736 5.992 1.00 0.00 O ATOM 99 O5' C A 45 0.120 8.640 3.657 1.00 0.00 O ATOM 100 C5' C A 45 0.481 9.566 2.632 1.00 0.00 C ATOM 101 C4' C A 45 -0.048 9.152 1.260 1.00 0.00 C ATOM 102 O4' C A 45 0.583 7.948 0.829 1.00 0.00 O ATOM 103 C3' C A 45 -1.536 8.864 1.185 1.00 0.00 C ATOM 104 O3' C A 45 -2.285 10.076 1.065 1.00 0.00 O ATOM 105 C2' C A 45 -1.599 8.070 -0.103 1.00 0.00 C ATOM 106 O2' C A 45 -1.533 8.925 -1.250 1.00 0.00 O ATOM 107 C1' C A 45 -0.352 7.205 0.023 1.00 0.00 C ATOM 108 N1 C A 45 -0.613 5.925 0.703 1.00 0.00 N ATOM 109 C2 C A 45 -1.076 4.875 -0.068 1.00 0.00 C ATOM 110 O2 C A 45 -1.246 5.029 -1.279 1.00 0.00 O ATOM 111 N3 C A 45 -1.339 3.689 0.552 1.00 0.00 N ATOM 112 C4 C A 45 -1.154 3.543 1.869 1.00 0.00 C ATOM 113 N4 C A 45 -1.417 2.366 2.438 1.00 0.00 N ATOM 114 C5 C A 45 -0.678 4.630 2.667 1.00 0.00 C ATOM 115 C6 C A 45 -0.429 5.798 2.047 1.00 0.00 C ATOM 0 H5' C A 45 1.567 9.651 2.589 1.00 0.00 H new ATOM 0 H5'' C A 45 0.094 10.553 2.885 1.00 0.00 H new ATOM 0 H4' C A 45 0.170 10.020 0.638 1.00 0.00 H new ATOM 0 H3' C A 45 -1.946 8.357 2.059 1.00 0.00 H new ATOM 0 H2' C A 45 -2.522 7.506 -0.238 1.00 0.00 H new ATOM 0 HO2' C A 45 -1.629 9.859 -0.968 1.00 0.00 H new ATOM 0 H1' C A 45 0.018 6.976 -0.977 1.00 0.00 H new ATOM 0 H41 C A 45 -1.280 2.243 3.441 1.00 0.00 H new ATOM 0 H42 C A 45 -1.755 1.589 1.870 1.00 0.00 H new ATOM 0 H5 C A 45 -0.524 4.517 3.730 1.00 0.00 H new ATOM 0 H6 C A 45 -0.080 6.644 2.621 1.00 0.00 H new ATOM 127 P U A 46 -3.806 10.159 1.600 1.00 0.00 P ATOM 128 OP1 U A 46 -4.267 11.559 1.467 1.00 0.00 O ATOM 129 OP2 U A 46 -3.866 9.487 2.918 1.00 0.00 O ATOM 130 O5' U A 46 -4.623 9.256 0.541 1.00 0.00 O ATOM 131 C5' U A 46 -4.718 9.662 -0.827 1.00 0.00 C ATOM 132 C4' U A 46 -5.420 8.617 -1.698 1.00 0.00 C ATOM 133 O4' U A 46 -4.647 7.415 -1.770 1.00 0.00 O ATOM 134 C3' U A 46 -6.787 8.178 -1.207 1.00 0.00 C ATOM 135 O3' U A 46 -7.781 9.136 -1.601 1.00 0.00 O ATOM 136 C2' U A 46 -6.955 6.868 -1.950 1.00 0.00 C ATOM 137 O2' U A 46 -7.356 7.077 -3.310 1.00 0.00 O ATOM 138 C1' U A 46 -5.549 6.290 -1.857 1.00 0.00 C ATOM 139 N1 U A 46 -5.351 5.461 -0.656 1.00 0.00 N ATOM 140 C2 U A 46 -5.738 4.138 -0.724 1.00 0.00 C ATOM 141 O2 U A 46 -6.197 3.642 -1.750 1.00 0.00 O ATOM 142 N3 U A 46 -5.580 3.401 0.432 1.00 0.00 N ATOM 143 C4 U A 46 -5.077 3.862 1.635 1.00 0.00 C ATOM 144 O4 U A 46 -4.988 3.113 2.603 1.00 0.00 O ATOM 145 C5 U A 46 -4.698 5.255 1.616 1.00 0.00 C ATOM 146 C6 U A 46 -4.844 5.999 0.495 1.00 0.00 C ATOM 0 H5' U A 46 -3.718 9.845 -1.219 1.00 0.00 H new ATOM 0 H5'' U A 46 -5.261 10.605 -0.886 1.00 0.00 H new ATOM 0 H4' U A 46 -5.531 9.125 -2.656 1.00 0.00 H new ATOM 0 H3' U A 46 -6.884 8.086 -0.125 1.00 0.00 H new ATOM 0 H2' U A 46 -7.730 6.220 -1.541 1.00 0.00 H new ATOM 0 HO2' U A 46 -7.453 6.211 -3.759 1.00 0.00 H new ATOM 0 H1' U A 46 -5.374 5.655 -2.726 1.00 0.00 H new ATOM 0 H3 U A 46 -5.861 2.421 0.396 1.00 0.00 H new ATOM 0 H5 U A 46 -4.293 5.709 2.508 1.00 0.00 H new ATOM 0 H6 U A 46 -4.554 7.039 0.509 1.00 0.00 H new ATOM 157 P C A 47 -9.137 9.327 -0.743 1.00 0.00 P ATOM 158 OP1 C A 47 -9.879 10.477 -1.308 1.00 0.00 O ATOM 159 OP2 C A 47 -8.779 9.316 0.693 1.00 0.00 O ATOM 160 O5' C A 47 -9.971 7.986 -1.064 1.00 0.00 O ATOM 161 C5' C A 47 -10.448 7.750 -2.390 1.00 0.00 C ATOM 162 C4' C A 47 -11.075 6.366 -2.549 1.00 0.00 C ATOM 163 O4' C A 47 -10.090 5.356 -2.392 1.00 0.00 O ATOM 164 C3' C A 47 -12.168 6.011 -1.562 1.00 0.00 C ATOM 165 O3' C A 47 -13.412 6.582 -1.985 1.00 0.00 O ATOM 166 C2' C A 47 -12.196 4.505 -1.689 1.00 0.00 C ATOM 167 O2' C A 47 -12.936 4.111 -2.845 1.00 0.00 O ATOM 168 C1' C A 47 -10.710 4.177 -1.844 1.00 0.00 C ATOM 169 N1 C A 47 -10.029 3.896 -0.574 1.00 0.00 N ATOM 170 C2 C A 47 -10.066 2.600 -0.100 1.00 0.00 C ATOM 171 O2 C A 47 -10.682 1.738 -0.723 1.00 0.00 O ATOM 172 N3 C A 47 -9.411 2.322 1.063 1.00 0.00 N ATOM 173 C4 C A 47 -8.755 3.286 1.727 1.00 0.00 C ATOM 174 N4 C A 47 -8.110 2.987 2.850 1.00 0.00 N ATOM 175 C5 C A 47 -8.733 4.629 1.241 1.00 0.00 C ATOM 176 C6 C A 47 -9.383 4.887 0.095 1.00 0.00 C ATOM 0 H5' C A 47 -9.622 7.854 -3.094 1.00 0.00 H new ATOM 0 H5'' C A 47 -11.185 8.511 -2.648 1.00 0.00 H new ATOM 0 H4' C A 47 -11.515 6.412 -3.545 1.00 0.00 H new ATOM 0 H3' C A 47 -12.005 6.369 -0.546 1.00 0.00 H new ATOM 0 H2' C A 47 -12.673 3.993 -0.853 1.00 0.00 H new ATOM 0 HO2' C A 47 -13.235 3.183 -2.742 1.00 0.00 H new ATOM 0 H1' C A 47 -10.628 3.285 -2.465 1.00 0.00 H new ATOM 0 H41 C A 47 -7.609 3.715 3.360 1.00 0.00 H new ATOM 0 H42 C A 47 -8.116 2.030 3.202 1.00 0.00 H new ATOM 0 H5 C A 47 -8.212 5.409 1.776 1.00 0.00 H new ATOM 0 H6 C A 47 -9.393 5.892 -0.299 1.00 0.00 H new ATOM 188 P U A 48 -14.566 6.922 -0.915 1.00 0.00 P ATOM 189 OP1 U A 48 -15.647 7.648 -1.619 1.00 0.00 O ATOM 190 OP2 U A 48 -13.927 7.530 0.274 1.00 0.00 O ATOM 191 O5' U A 48 -15.131 5.470 -0.491 1.00 0.00 O ATOM 192 C5' U A 48 -16.542 5.221 -0.537 1.00 0.00 C ATOM 193 C4' U A 48 -16.905 3.780 -0.181 1.00 0.00 C ATOM 194 O4' U A 48 -16.485 2.885 -1.221 1.00 0.00 O ATOM 195 C3' U A 48 -16.272 3.305 1.128 1.00 0.00 C ATOM 196 O3' U A 48 -17.230 2.517 1.853 1.00 0.00 O ATOM 197 C2' U A 48 -15.146 2.410 0.629 1.00 0.00 C ATOM 198 O2' U A 48 -14.801 1.399 1.573 1.00 0.00 O ATOM 199 C1' U A 48 -15.749 1.822 -0.622 1.00 0.00 C ATOM 200 N1 U A 48 -14.773 1.333 -1.607 1.00 0.00 N ATOM 201 C2 U A 48 -14.281 0.051 -1.451 1.00 0.00 C ATOM 202 O2 U A 48 -14.617 -0.670 -0.514 1.00 0.00 O ATOM 203 N3 U A 48 -13.381 -0.373 -2.413 1.00 0.00 N ATOM 204 C4 U A 48 -12.939 0.365 -3.498 1.00 0.00 C ATOM 205 O4 U A 48 -12.136 -0.113 -4.297 1.00 0.00 O ATOM 206 C5 U A 48 -13.506 1.692 -3.575 1.00 0.00 C ATOM 207 C6 U A 48 -14.389 2.125 -2.642 1.00 0.00 C ATOM 0 H5' U A 48 -16.913 5.447 -1.537 1.00 0.00 H new ATOM 0 H5'' U A 48 -17.048 5.898 0.151 1.00 0.00 H new ATOM 0 H4' U A 48 -17.989 3.770 -0.064 1.00 0.00 H new ATOM 0 H3' U A 48 -15.941 4.107 1.787 1.00 0.00 H new ATOM 0 H2' U A 48 -14.210 2.943 0.462 1.00 0.00 H new ATOM 0 HO2' U A 48 -13.885 1.546 1.889 1.00 0.00 H new ATOM 0 H1' U A 48 -16.342 0.952 -0.340 1.00 0.00 H new ATOM 0 H3 U A 48 -13.008 -1.317 -2.313 1.00 0.00 H new ATOM 0 H5 U A 48 -13.223 2.347 -4.386 1.00 0.00 H new ATOM 0 H6 U A 48 -14.796 3.122 -2.723 1.00 0.00 H new ATOM 218 P U A 49 -17.277 2.451 3.475 1.00 0.00 P ATOM 219 OP1 U A 49 -18.472 1.669 3.864 1.00 0.00 O ATOM 220 OP2 U A 49 -17.108 3.829 3.990 1.00 0.00 O ATOM 221 O5' U A 49 -15.971 1.602 3.888 1.00 0.00 O ATOM 222 C5' U A 49 -15.842 0.245 3.479 1.00 0.00 C ATOM 223 C4' U A 49 -14.484 -0.348 3.861 1.00 0.00 C ATOM 224 O4' U A 49 -13.452 0.388 3.175 1.00 0.00 O ATOM 225 C3' U A 49 -14.140 -0.285 5.354 1.00 0.00 C ATOM 226 O3' U A 49 -13.486 -1.510 5.690 1.00 0.00 O ATOM 227 C2' U A 49 -13.155 0.856 5.482 1.00 0.00 C ATOM 228 O2' U A 49 -12.210 0.621 6.532 1.00 0.00 O ATOM 229 C1' U A 49 -12.485 0.871 4.127 1.00 0.00 C ATOM 230 N1 U A 49 -12.039 2.221 3.728 1.00 0.00 N ATOM 231 C2 U A 49 -10.807 2.643 4.193 1.00 0.00 C ATOM 232 O2 U A 49 -10.081 1.917 4.870 1.00 0.00 O ATOM 233 N3 U A 49 -10.436 3.930 3.851 1.00 0.00 N ATOM 234 C4 U A 49 -11.176 4.817 3.089 1.00 0.00 C ATOM 235 O4 U A 49 -10.746 5.941 2.843 1.00 0.00 O ATOM 236 C5 U A 49 -12.445 4.291 2.645 1.00 0.00 C ATOM 237 C6 U A 49 -12.832 3.036 2.975 1.00 0.00 C ATOM 0 H5' U A 49 -15.974 0.179 2.399 1.00 0.00 H new ATOM 0 H5'' U A 49 -16.636 -0.347 3.934 1.00 0.00 H new ATOM 0 H4' U A 49 -14.543 -1.400 3.583 1.00 0.00 H new ATOM 0 H3' U A 49 -15.009 -0.143 5.996 1.00 0.00 H new ATOM 0 H2' U A 49 -13.627 1.804 5.741 1.00 0.00 H new ATOM 0 HO2' U A 49 -12.678 0.285 7.325 1.00 0.00 H new ATOM 0 H1' U A 49 -11.593 0.246 4.165 1.00 0.00 H new ATOM 0 H3 U A 49 -9.532 4.256 4.192 1.00 0.00 H new ATOM 0 H5 U A 49 -13.095 4.907 2.041 1.00 0.00 H new ATOM 0 H6 U A 49 -13.790 2.672 2.634 1.00 0.00 H new ATOM 248 P G A 50 -13.472 -2.112 7.182 1.00 0.00 P ATOM 249 OP1 G A 50 -14.872 -2.270 7.636 1.00 0.00 O ATOM 250 OP2 G A 50 -12.508 -1.336 7.993 1.00 0.00 O ATOM 251 O5' G A 50 -12.855 -3.576 6.905 1.00 0.00 O ATOM 252 C5' G A 50 -13.631 -4.534 6.179 1.00 0.00 C ATOM 253 C4' G A 50 -12.799 -5.337 5.186 1.00 0.00 C ATOM 254 O4' G A 50 -12.352 -4.507 4.119 1.00 0.00 O ATOM 255 C3' G A 50 -11.553 -5.990 5.734 1.00 0.00 C ATOM 256 O3' G A 50 -11.852 -7.247 6.317 1.00 0.00 O ATOM 257 C2' G A 50 -10.689 -6.164 4.514 1.00 0.00 C ATOM 258 O2' G A 50 -11.042 -7.345 3.784 1.00 0.00 O ATOM 259 C1' G A 50 -11.020 -4.906 3.733 1.00 0.00 C ATOM 260 N9 G A 50 -10.138 -3.765 4.016 1.00 0.00 N ATOM 261 C8 G A 50 -9.316 -3.550 5.090 1.00 0.00 C ATOM 262 N7 G A 50 -8.681 -2.415 5.050 1.00 0.00 N ATOM 263 C5 G A 50 -9.109 -1.840 3.861 1.00 0.00 C ATOM 264 C6 G A 50 -8.765 -0.594 3.284 1.00 0.00 C ATOM 265 O6 G A 50 -7.982 0.246 3.717 1.00 0.00 O ATOM 266 N1 G A 50 -9.432 -0.389 2.080 1.00 0.00 N ATOM 267 C2 G A 50 -10.311 -1.286 1.501 1.00 0.00 C ATOM 268 N2 G A 50 -10.850 -0.934 0.335 1.00 0.00 N ATOM 269 N3 G A 50 -10.629 -2.458 2.047 1.00 0.00 N ATOM 270 C4 G A 50 -9.996 -2.664 3.221 1.00 0.00 C ATOM 0 H5' G A 50 -14.429 -4.018 5.644 1.00 0.00 H new ATOM 0 H5'' G A 50 -14.108 -5.217 6.882 1.00 0.00 H new ATOM 0 H4' G A 50 -13.488 -6.123 4.878 1.00 0.00 H new ATOM 0 H3' G A 50 -11.077 -5.403 6.519 1.00 0.00 H new ATOM 0 H2' G A 50 -9.628 -6.287 4.732 1.00 0.00 H new ATOM 0 HO2' G A 50 -11.605 -7.101 3.020 1.00 0.00 H new ATOM 0 H1' G A 50 -10.906 -5.149 2.676 1.00 0.00 H new ATOM 0 H8 G A 50 -9.205 -4.259 5.897 1.00 0.00 H new ATOM 0 H1 G A 50 -9.260 0.488 1.588 1.00 0.00 H new ATOM 0 H21 G A 50 -11.505 -1.560 -0.134 1.00 0.00 H new ATOM 0 H22 G A 50 -10.608 -0.038 -0.089 1.00 0.00 H new ATOM 282 P U A 51 -10.684 -8.015 7.091 1.00 0.00 P ATOM 283 OP1 U A 51 -11.262 -9.197 7.769 1.00 0.00 O ATOM 284 OP2 U A 51 -9.890 -7.026 7.854 1.00 0.00 O ATOM 285 O5' U A 51 -9.812 -8.516 5.830 1.00 0.00 O ATOM 286 C5' U A 51 -8.444 -8.888 5.961 1.00 0.00 C ATOM 287 C4' U A 51 -7.927 -9.533 4.677 1.00 0.00 C ATOM 288 O4' U A 51 -8.626 -10.760 4.460 1.00 0.00 O ATOM 289 C3' U A 51 -8.088 -8.696 3.406 1.00 0.00 C ATOM 290 O3' U A 51 -6.940 -8.941 2.589 1.00 0.00 O ATOM 291 C2' U A 51 -9.335 -9.241 2.732 1.00 0.00 C ATOM 292 O2' U A 51 -9.185 -9.261 1.308 1.00 0.00 O ATOM 293 C1' U A 51 -9.452 -10.661 3.290 1.00 0.00 C ATOM 294 N1 U A 51 -10.829 -11.070 3.678 1.00 0.00 N ATOM 295 C2 U A 51 -11.287 -12.296 3.218 1.00 0.00 C ATOM 296 O2 U A 51 -10.594 -13.030 2.516 1.00 0.00 O ATOM 297 N3 U A 51 -12.568 -12.652 3.598 1.00 0.00 N ATOM 298 C4 U A 51 -13.423 -11.904 4.387 1.00 0.00 C ATOM 299 O4 U A 51 -14.547 -12.320 4.660 1.00 0.00 O ATOM 300 C5 U A 51 -12.868 -10.644 4.826 1.00 0.00 C ATOM 301 C6 U A 51 -11.615 -10.271 4.471 1.00 0.00 C ATOM 0 H5' U A 51 -8.331 -9.583 6.793 1.00 0.00 H new ATOM 0 H5'' U A 51 -7.845 -8.008 6.197 1.00 0.00 H new ATOM 0 H4' U A 51 -6.857 -9.660 4.839 1.00 0.00 H new ATOM 0 H3' U A 51 -8.174 -7.625 3.589 1.00 0.00 H new ATOM 0 H2' U A 51 -10.219 -8.634 2.926 1.00 0.00 H new ATOM 0 HO2' U A 51 -10.001 -9.617 0.898 1.00 0.00 H new ATOM 0 H1' U A 51 -9.141 -11.324 2.483 1.00 0.00 H new ATOM 0 H3 U A 51 -12.915 -13.551 3.265 1.00 0.00 H new ATOM 0 H5 U A 51 -13.462 -9.989 5.447 1.00 0.00 H new ATOM 0 H6 U A 51 -11.226 -9.325 4.819 1.00 0.00 H new ATOM 312 P A A 52 -5.821 -7.830 2.264 1.00 0.00 P ATOM 313 OP1 A A 52 -4.692 -8.498 1.580 1.00 0.00 O ATOM 314 OP2 A A 52 -5.575 -7.048 3.497 1.00 0.00 O ATOM 315 O5' A A 52 -6.548 -6.869 1.203 1.00 0.00 O ATOM 316 C5' A A 52 -7.512 -7.392 0.291 1.00 0.00 C ATOM 317 C4' A A 52 -7.921 -6.346 -0.734 1.00 0.00 C ATOM 318 O4' A A 52 -8.573 -5.222 -0.121 1.00 0.00 O ATOM 319 C3' A A 52 -6.734 -5.768 -1.481 1.00 0.00 C ATOM 320 O3' A A 52 -6.370 -6.650 -2.551 1.00 0.00 O ATOM 321 C2' A A 52 -7.307 -4.469 -1.998 1.00 0.00 C ATOM 322 O2' A A 52 -8.137 -4.681 -3.147 1.00 0.00 O ATOM 323 C1' A A 52 -8.123 -4.024 -0.793 1.00 0.00 C ATOM 324 N9 A A 52 -7.358 -3.229 0.184 1.00 0.00 N ATOM 325 C8 A A 52 -6.850 -3.614 1.399 1.00 0.00 C ATOM 326 N7 A A 52 -6.256 -2.652 2.050 1.00 0.00 N ATOM 327 C5 A A 52 -6.382 -1.553 1.206 1.00 0.00 C ATOM 328 C6 A A 52 -5.960 -0.218 1.313 1.00 0.00 C ATOM 329 N6 A A 52 -5.295 0.256 2.365 1.00 0.00 N ATOM 330 N1 A A 52 -6.249 0.602 0.291 1.00 0.00 N ATOM 331 C2 A A 52 -6.908 0.126 -0.758 1.00 0.00 C ATOM 332 N3 A A 52 -7.357 -1.098 -0.975 1.00 0.00 N ATOM 333 C4 A A 52 -7.053 -1.898 0.068 1.00 0.00 C ATOM 0 H5' A A 52 -8.391 -7.730 0.840 1.00 0.00 H new ATOM 0 H5'' A A 52 -7.100 -8.263 -0.218 1.00 0.00 H new ATOM 0 H4' A A 52 -8.588 -6.877 -1.413 1.00 0.00 H new ATOM 0 H3' A A 52 -5.830 -5.632 -0.887 1.00 0.00 H new ATOM 0 H2' A A 52 -6.563 -3.746 -2.334 1.00 0.00 H new ATOM 0 HO2' A A 52 -8.493 -3.822 -3.456 1.00 0.00 H new ATOM 0 H1' A A 52 -8.932 -3.391 -1.158 1.00 0.00 H new ATOM 0 H8 A A 52 -6.934 -4.621 1.781 1.00 0.00 H new ATOM 0 H61 A A 52 -5.012 1.236 2.390 1.00 0.00 H new ATOM 0 H62 A A 52 -5.068 -0.361 3.145 1.00 0.00 H new ATOM 0 H2 A A 52 -7.105 0.839 -1.545 1.00 0.00 H new ATOM 345 P G A 53 -4.854 -6.724 -3.092 1.00 0.00 P ATOM 346 OP1 G A 53 -4.779 -7.795 -4.111 1.00 0.00 O ATOM 347 OP2 G A 53 -3.947 -6.754 -1.923 1.00 0.00 O ATOM 348 O5' G A 53 -4.670 -5.313 -3.833 1.00 0.00 O ATOM 349 C5' G A 53 -5.422 -4.994 -5.002 1.00 0.00 C ATOM 350 C4' G A 53 -5.177 -3.550 -5.417 1.00 0.00 C ATOM 351 O4' G A 53 -5.668 -2.655 -4.416 1.00 0.00 O ATOM 352 C3' G A 53 -3.715 -3.194 -5.584 1.00 0.00 C ATOM 353 O3' G A 53 -3.235 -3.607 -6.867 1.00 0.00 O ATOM 354 C2' G A 53 -3.783 -1.682 -5.497 1.00 0.00 C ATOM 355 O2' G A 53 -4.249 -1.107 -6.724 1.00 0.00 O ATOM 356 C1' G A 53 -4.802 -1.506 -4.375 1.00 0.00 C ATOM 357 N9 G A 53 -4.187 -1.437 -3.034 1.00 0.00 N ATOM 358 C8 G A 53 -4.013 -2.434 -2.110 1.00 0.00 C ATOM 359 N7 G A 53 -3.423 -2.043 -1.014 1.00 0.00 N ATOM 360 C5 G A 53 -3.184 -0.690 -1.228 1.00 0.00 C ATOM 361 C6 G A 53 -2.562 0.270 -0.382 1.00 0.00 C ATOM 362 O6 G A 53 -2.108 0.106 0.753 1.00 0.00 O ATOM 363 N1 G A 53 -2.516 1.525 -0.985 1.00 0.00 N ATOM 364 C2 G A 53 -3.010 1.816 -2.245 1.00 0.00 C ATOM 365 N2 G A 53 -2.875 3.076 -2.666 1.00 0.00 N ATOM 366 N3 G A 53 -3.596 0.913 -3.033 1.00 0.00 N ATOM 367 C4 G A 53 -3.647 -0.311 -2.463 1.00 0.00 C ATOM 0 H5' G A 53 -6.484 -5.148 -4.812 1.00 0.00 H new ATOM 0 H5'' G A 53 -5.143 -5.664 -5.815 1.00 0.00 H new ATOM 0 H4' G A 53 -5.689 -3.453 -6.374 1.00 0.00 H new ATOM 0 H3' G A 53 -3.046 -3.663 -4.862 1.00 0.00 H new ATOM 0 H2' G A 53 -2.824 -1.196 -5.317 1.00 0.00 H new ATOM 0 HO2' G A 53 -4.251 -1.791 -7.426 1.00 0.00 H new ATOM 0 H1' G A 53 -5.327 -0.564 -4.532 1.00 0.00 H new ATOM 0 H8 G A 53 -4.335 -3.452 -2.274 1.00 0.00 H new ATOM 0 H1 G A 53 -2.086 2.286 -0.459 1.00 0.00 H new ATOM 0 H21 G A 53 -3.221 3.346 -3.587 1.00 0.00 H new ATOM 0 H22 G A 53 -2.426 3.768 -2.067 1.00 0.00 H new ATOM 379 P A A 54 -1.683 -3.994 -7.065 1.00 0.00 P ATOM 380 OP1 A A 54 -1.496 -4.464 -8.456 1.00 0.00 O ATOM 381 OP2 A A 54 -1.273 -4.855 -5.933 1.00 0.00 O ATOM 382 O5' A A 54 -0.944 -2.577 -6.910 1.00 0.00 O ATOM 383 C5' A A 54 -1.147 -1.532 -7.855 1.00 0.00 C ATOM 384 C4' A A 54 -0.477 -0.246 -7.390 1.00 0.00 C ATOM 385 O4' A A 54 -1.090 0.244 -6.192 1.00 0.00 O ATOM 386 C3' A A 54 0.992 -0.380 -7.045 1.00 0.00 C ATOM 387 O3' A A 54 1.804 -0.328 -8.216 1.00 0.00 O ATOM 388 C2' A A 54 1.210 0.868 -6.222 1.00 0.00 C ATOM 389 O2' A A 54 1.388 2.020 -7.055 1.00 0.00 O ATOM 390 C1' A A 54 -0.084 0.947 -5.431 1.00 0.00 C ATOM 391 N9 A A 54 0.015 0.329 -4.095 1.00 0.00 N ATOM 392 C8 A A 54 -0.351 -0.929 -3.687 1.00 0.00 C ATOM 393 N7 A A 54 -0.111 -1.165 -2.426 1.00 0.00 N ATOM 394 C5 A A 54 0.457 0.020 -1.969 1.00 0.00 C ATOM 395 C6 A A 54 0.940 0.423 -0.713 1.00 0.00 C ATOM 396 N6 A A 54 0.928 -0.363 0.365 1.00 0.00 N ATOM 397 N1 A A 54 1.437 1.666 -0.616 1.00 0.00 N ATOM 398 C2 A A 54 1.454 2.445 -1.691 1.00 0.00 C ATOM 399 N3 A A 54 1.030 2.185 -2.914 1.00 0.00 N ATOM 400 C4 A A 54 0.536 0.933 -2.981 1.00 0.00 C ATOM 0 H5' A A 54 -2.215 -1.362 -7.992 1.00 0.00 H new ATOM 0 H5'' A A 54 -0.744 -1.828 -8.824 1.00 0.00 H new ATOM 0 H4' A A 54 -0.592 0.420 -8.245 1.00 0.00 H new ATOM 0 H3' A A 54 1.244 -1.317 -6.548 1.00 0.00 H new ATOM 0 H2' A A 54 2.105 0.837 -5.601 1.00 0.00 H new ATOM 0 HO2' A A 54 1.313 1.758 -7.996 1.00 0.00 H new ATOM 0 H1' A A 54 -0.328 1.998 -5.275 1.00 0.00 H new ATOM 0 H8 A A 54 -0.797 -1.657 -4.349 1.00 0.00 H new ATOM 0 H61 A A 54 1.292 -0.017 1.253 1.00 0.00 H new ATOM 0 H62 A A 54 0.554 -1.310 0.302 1.00 0.00 H new ATOM 0 H2 A A 54 1.873 3.429 -1.544 1.00 0.00 H new ATOM 412 P U A 55 3.241 -1.049 -8.245 1.00 0.00 P ATOM 413 OP1 U A 55 3.830 -0.871 -9.592 1.00 0.00 O ATOM 414 OP2 U A 55 3.101 -2.404 -7.667 1.00 0.00 O ATOM 415 O5' U A 55 4.054 -0.131 -7.206 1.00 0.00 O ATOM 416 C5' U A 55 4.281 1.246 -7.485 1.00 0.00 C ATOM 417 C4' U A 55 4.898 1.962 -6.289 1.00 0.00 C ATOM 418 O4' U A 55 3.995 1.938 -5.185 1.00 0.00 O ATOM 419 C3' U A 55 6.169 1.337 -5.748 1.00 0.00 C ATOM 420 O3' U A 55 7.297 1.744 -6.533 1.00 0.00 O ATOM 421 C2' U A 55 6.238 1.960 -4.366 1.00 0.00 C ATOM 422 O2' U A 55 6.852 3.253 -4.400 1.00 0.00 O ATOM 423 C1' U A 55 4.764 2.049 -3.973 1.00 0.00 C ATOM 424 N1 U A 55 4.360 0.971 -3.054 1.00 0.00 N ATOM 425 C2 U A 55 4.623 1.171 -1.719 1.00 0.00 C ATOM 426 O2 U A 55 5.142 2.208 -1.308 1.00 0.00 O ATOM 427 N3 U A 55 4.272 0.142 -0.870 1.00 0.00 N ATOM 428 C4 U A 55 3.682 -1.053 -1.230 1.00 0.00 C ATOM 429 O4 U A 55 3.409 -1.894 -0.373 1.00 0.00 O ATOM 430 C5 U A 55 3.441 -1.182 -2.653 1.00 0.00 C ATOM 431 C6 U A 55 3.786 -0.187 -3.506 1.00 0.00 C ATOM 0 H5' U A 55 3.339 1.725 -7.751 1.00 0.00 H new ATOM 0 H5'' U A 55 4.941 1.340 -8.347 1.00 0.00 H new ATOM 0 H4' U A 55 5.119 2.958 -6.673 1.00 0.00 H new ATOM 0 H3' U A 55 6.175 0.247 -5.754 1.00 0.00 H new ATOM 0 H2' U A 55 6.842 1.388 -3.662 1.00 0.00 H new ATOM 0 HO2' U A 55 7.113 3.467 -5.320 1.00 0.00 H new ATOM 0 H1' U A 55 4.594 2.993 -3.456 1.00 0.00 H new ATOM 0 H3 U A 55 4.468 0.277 0.122 1.00 0.00 H new ATOM 0 H5 U A 55 2.982 -2.080 -3.038 1.00 0.00 H new ATOM 0 H6 U A 55 3.605 -0.310 -4.564 1.00 0.00 H new ATOM 442 P C A 56 8.608 0.809 -6.659 1.00 0.00 P ATOM 443 OP1 C A 56 9.534 1.443 -7.623 1.00 0.00 O ATOM 444 OP2 C A 56 8.160 -0.585 -6.877 1.00 0.00 O ATOM 445 O5' C A 56 9.272 0.899 -5.193 1.00 0.00 O ATOM 446 C5' C A 56 9.792 2.134 -4.699 1.00 0.00 C ATOM 447 C4' C A 56 10.303 1.996 -3.265 1.00 0.00 C ATOM 448 O4' C A 56 9.236 1.708 -2.374 1.00 0.00 O ATOM 449 C3' C A 56 11.310 0.885 -3.046 1.00 0.00 C ATOM 450 O3' C A 56 12.609 1.346 -3.432 1.00 0.00 O ATOM 451 C2' C A 56 11.232 0.667 -1.542 1.00 0.00 C ATOM 452 O2' C A 56 12.171 1.495 -0.845 1.00 0.00 O ATOM 453 C1' C A 56 9.785 1.061 -1.213 1.00 0.00 C ATOM 454 N1 C A 56 8.915 -0.084 -0.886 1.00 0.00 N ATOM 455 C2 C A 56 8.959 -0.562 0.410 1.00 0.00 C ATOM 456 O2 C A 56 9.716 -0.042 1.225 1.00 0.00 O ATOM 457 N3 C A 56 8.153 -1.612 0.743 1.00 0.00 N ATOM 458 C4 C A 56 7.341 -2.165 -0.169 1.00 0.00 C ATOM 459 N4 C A 56 6.561 -3.186 0.183 1.00 0.00 N ATOM 460 C5 C A 56 7.299 -1.675 -1.512 1.00 0.00 C ATOM 461 C6 C A 56 8.100 -0.640 -1.825 1.00 0.00 C ATOM 0 H5' C A 56 9.015 2.898 -4.737 1.00 0.00 H new ATOM 0 H5'' C A 56 10.603 2.472 -5.344 1.00 0.00 H new ATOM 0 H4' C A 56 10.782 2.957 -3.076 1.00 0.00 H new ATOM 0 H3' C A 56 11.119 -0.023 -3.618 1.00 0.00 H new ATOM 0 H2' C A 56 11.478 -0.352 -1.242 1.00 0.00 H new ATOM 0 HO2' C A 56 12.097 1.334 0.119 1.00 0.00 H new ATOM 0 H1' C A 56 9.817 1.703 -0.333 1.00 0.00 H new ATOM 0 H41 C A 56 5.940 -3.614 -0.504 1.00 0.00 H new ATOM 0 H42 C A 56 6.585 -3.540 1.139 1.00 0.00 H new ATOM 0 H5 C A 56 6.647 -2.120 -2.249 1.00 0.00 H new ATOM 0 H6 C A 56 8.097 -0.246 -2.831 1.00 0.00 H new ATOM 473 P A A 57 13.752 0.332 -3.944 1.00 0.00 P ATOM 474 OP1 A A 57 14.915 1.136 -4.383 1.00 0.00 O ATOM 475 OP2 A A 57 13.130 -0.633 -4.878 1.00 0.00 O ATOM 476 O5' A A 57 14.171 -0.462 -2.607 1.00 0.00 O ATOM 477 C5' A A 57 14.780 0.227 -1.512 1.00 0.00 C ATOM 478 C4' A A 57 15.077 -0.716 -0.348 1.00 0.00 C ATOM 479 O4' A A 57 13.840 -1.163 0.233 1.00 0.00 O ATOM 480 C3' A A 57 15.864 -1.965 -0.758 1.00 0.00 C ATOM 481 O3' A A 57 16.855 -2.298 0.220 1.00 0.00 O ATOM 482 C2' A A 57 14.798 -3.040 -0.833 1.00 0.00 C ATOM 483 O2' A A 57 15.336 -4.335 -0.540 1.00 0.00 O ATOM 484 C1' A A 57 13.814 -2.593 0.228 1.00 0.00 C ATOM 485 N9 A A 57 12.430 -3.042 -0.014 1.00 0.00 N ATOM 486 C8 A A 57 11.704 -3.005 -1.176 1.00 0.00 C ATOM 487 N7 A A 57 10.519 -3.542 -1.074 1.00 0.00 N ATOM 488 C5 A A 57 10.456 -3.962 0.251 1.00 0.00 C ATOM 489 C6 A A 57 9.459 -4.613 0.996 1.00 0.00 C ATOM 490 N6 A A 57 8.282 -4.973 0.484 1.00 0.00 N ATOM 491 N1 A A 57 9.727 -4.878 2.286 1.00 0.00 N ATOM 492 C2 A A 57 10.902 -4.522 2.789 1.00 0.00 C ATOM 493 N3 A A 57 11.915 -3.912 2.195 1.00 0.00 N ATOM 494 C4 A A 57 11.616 -3.658 0.904 1.00 0.00 C ATOM 0 H5' A A 57 14.122 1.027 -1.174 1.00 0.00 H new ATOM 0 H5'' A A 57 15.706 0.696 -1.846 1.00 0.00 H new ATOM 0 H4' A A 57 15.684 -0.145 0.354 1.00 0.00 H new ATOM 0 H3' A A 57 16.408 -1.834 -1.693 1.00 0.00 H new ATOM 0 H2' A A 57 14.353 -3.144 -1.823 1.00 0.00 H new ATOM 0 HO2' A A 57 14.623 -5.005 -0.595 1.00 0.00 H new ATOM 0 HO3' A A 57 16.749 -3.235 0.488 1.00 0.00 H new ATOM 0 H1' A A 57 14.113 -3.035 1.179 1.00 0.00 H new ATOM 0 H8 A A 57 12.078 -2.571 -2.092 1.00 0.00 H new ATOM 0 H61 A A 57 7.593 -5.444 1.071 1.00 0.00 H new ATOM 0 H62 A A 57 8.070 -4.778 -0.494 1.00 0.00 H new ATOM 0 H2 A A 57 11.053 -4.764 3.831 1.00 0.00 H new TER 507 A A 57