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 -1:sc= -0.493 USER MOD Single : A 42 G O5' : rot 180:sc=-0.00437 USER MOD Single : A 43 A O2' : rot 180:sc= -0.245 USER MOD Single : A 44 U O2' : rot 180:sc= -0.109 USER MOD Single : A 45 C O2' : rot -4:sc= -0.453 USER MOD Single : A 46 U O2' : rot 180:sc= -0.0492 USER MOD Single : A 47 C O2' : rot 171:sc= -0.476 USER MOD Single : A 48 U O2' : rot 152:sc= -5.93! USER MOD Single : A 49 U O2' : rot -44:sc= 0.821 USER MOD Single : A 50 G O2' : rot 100:sc= -5.53! USER MOD Single : A 51 U O2' : rot 180:sc= -5.16! USER MOD Single : A 52 A O2' : rot 180:sc= -0.46 USER MOD Single : A 53 G O2' : rot -7:sc= -0.37 USER MOD Single : A 54 A O2' : rot 0:sc= -1.97! USER MOD Single : A 55 U O2' : rot -2:sc= -0.784 USER MOD Single : A 56 C O2' : rot 10:sc= -2.24! USER MOD Single : A 57 A O2' : rot 26:sc= 0.283 USER MOD Single : A 57 A O3' : rot -177:sc= 0.255 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 5.928 -3.946 9.768 1.00 0.00 O ATOM 2 C5' G A 42 6.808 -3.398 10.751 1.00 0.00 C ATOM 3 C4' G A 42 7.605 -2.228 10.193 1.00 0.00 C ATOM 4 O4' G A 42 8.520 -2.662 9.190 1.00 0.00 O ATOM 5 C3' G A 42 6.762 -1.144 9.550 1.00 0.00 C ATOM 6 O3' G A 42 6.247 -0.259 10.551 1.00 0.00 O ATOM 7 C2' G A 42 7.784 -0.453 8.678 1.00 0.00 C ATOM 8 O2' G A 42 8.583 0.468 9.429 1.00 0.00 O ATOM 9 C1' G A 42 8.607 -1.638 8.186 1.00 0.00 C ATOM 10 N9 G A 42 8.116 -2.228 6.930 1.00 0.00 N ATOM 11 C8 G A 42 7.299 -3.313 6.771 1.00 0.00 C ATOM 12 N7 G A 42 7.030 -3.595 5.527 1.00 0.00 N ATOM 13 C5 G A 42 7.720 -2.624 4.808 1.00 0.00 C ATOM 14 C6 G A 42 7.802 -2.422 3.403 1.00 0.00 C ATOM 15 O6 G A 42 7.274 -3.082 2.512 1.00 0.00 O ATOM 16 N1 G A 42 8.603 -1.327 3.090 1.00 0.00 N ATOM 17 C2 G A 42 9.244 -0.528 4.019 1.00 0.00 C ATOM 18 N2 G A 42 9.973 0.478 3.538 1.00 0.00 N ATOM 19 N3 G A 42 9.165 -0.721 5.340 1.00 0.00 N ATOM 20 C4 G A 42 8.389 -1.781 5.659 1.00 0.00 C ATOM 0 H5' G A 42 7.491 -4.172 11.101 1.00 0.00 H new ATOM 0 H5'' G A 42 6.231 -3.068 11.615 1.00 0.00 H new ATOM 0 H4' G A 42 8.108 -1.816 11.068 1.00 0.00 H new ATOM 0 H3' G A 42 5.890 -1.504 9.004 1.00 0.00 H new ATOM 0 H2' G A 42 7.353 0.153 7.881 1.00 0.00 H new ATOM 0 HO2' G A 42 8.286 0.473 10.363 1.00 0.00 H new ATOM 0 HO5' G A 42 5.431 -4.697 10.156 1.00 0.00 H new ATOM 0 H1' G A 42 9.618 -1.274 8.004 1.00 0.00 H new ATOM 0 H8 G A 42 6.912 -3.885 7.601 1.00 0.00 H new ATOM 0 H1 G A 42 8.726 -1.097 2.104 1.00 0.00 H new ATOM 0 H21 G A 42 10.468 1.100 4.177 1.00 0.00 H new ATOM 0 H22 G A 42 10.036 0.626 2.531 1.00 0.00 H new ATOM 33 P A A 43 4.871 0.549 10.313 1.00 0.00 P ATOM 34 OP1 A A 43 4.540 1.273 11.561 1.00 0.00 O ATOM 35 OP2 A A 43 3.886 -0.381 9.718 1.00 0.00 O ATOM 36 O5' A A 43 5.276 1.636 9.195 1.00 0.00 O ATOM 37 C5' A A 43 6.222 2.662 9.495 1.00 0.00 C ATOM 38 C4' A A 43 6.568 3.496 8.263 1.00 0.00 C ATOM 39 O4' A A 43 7.248 2.700 7.287 1.00 0.00 O ATOM 40 C3' A A 43 5.375 4.089 7.535 1.00 0.00 C ATOM 41 O3' A A 43 4.941 5.288 8.194 1.00 0.00 O ATOM 42 C2' A A 43 5.973 4.383 6.177 1.00 0.00 C ATOM 43 O2' A A 43 6.730 5.599 6.185 1.00 0.00 O ATOM 44 C1' A A 43 6.868 3.164 5.975 1.00 0.00 C ATOM 45 N9 A A 43 6.193 2.049 5.278 1.00 0.00 N ATOM 46 C8 A A 43 5.561 0.954 5.811 1.00 0.00 C ATOM 47 N7 A A 43 5.035 0.160 4.920 1.00 0.00 N ATOM 48 C5 A A 43 5.339 0.772 3.709 1.00 0.00 C ATOM 49 C6 A A 43 5.060 0.431 2.375 1.00 0.00 C ATOM 50 N6 A A 43 4.384 -0.665 2.019 1.00 0.00 N ATOM 51 N1 A A 43 5.507 1.266 1.425 1.00 0.00 N ATOM 52 C2 A A 43 6.184 2.352 1.776 1.00 0.00 C ATOM 53 N3 A A 43 6.510 2.777 2.985 1.00 0.00 N ATOM 54 C4 A A 43 6.046 1.923 3.920 1.00 0.00 C ATOM 0 H5' A A 43 7.130 2.212 9.896 1.00 0.00 H new ATOM 0 H5'' A A 43 5.819 3.312 10.272 1.00 0.00 H new ATOM 0 H4' A A 43 7.178 4.304 8.666 1.00 0.00 H new ATOM 0 H3' A A 43 4.494 3.448 7.494 1.00 0.00 H new ATOM 0 H2' A A 43 5.236 4.531 5.388 1.00 0.00 H new ATOM 0 HO2' A A 43 7.103 5.758 5.293 1.00 0.00 H new ATOM 0 H1' A A 43 7.714 3.464 5.357 1.00 0.00 H new ATOM 0 H8 A A 43 5.504 0.766 6.873 1.00 0.00 H new ATOM 0 H61 A A 43 4.212 -0.860 1.033 1.00 0.00 H new ATOM 0 H62 A A 43 4.040 -1.307 2.733 1.00 0.00 H new ATOM 0 H2 A A 43 6.515 2.976 0.960 1.00 0.00 H new ATOM 66 P U A 44 3.406 5.784 8.094 1.00 0.00 P ATOM 67 OP1 U A 44 3.236 6.940 9.002 1.00 0.00 O ATOM 68 OP2 U A 44 2.530 4.600 8.240 1.00 0.00 O ATOM 69 O5' U A 44 3.281 6.316 6.576 1.00 0.00 O ATOM 70 C5' U A 44 4.023 7.468 6.166 1.00 0.00 C ATOM 71 C4' U A 44 3.901 7.746 4.666 1.00 0.00 C ATOM 72 O4' U A 44 4.507 6.693 3.917 1.00 0.00 O ATOM 73 C3' U A 44 2.484 7.846 4.128 1.00 0.00 C ATOM 74 O3' U A 44 1.934 9.149 4.376 1.00 0.00 O ATOM 75 C2' U A 44 2.736 7.639 2.648 1.00 0.00 C ATOM 76 O2' U A 44 3.235 8.830 2.027 1.00 0.00 O ATOM 77 C1' U A 44 3.787 6.538 2.676 1.00 0.00 C ATOM 78 N1 U A 44 3.205 5.186 2.658 1.00 0.00 N ATOM 79 C2 U A 44 2.893 4.649 1.428 1.00 0.00 C ATOM 80 O2 U A 44 3.108 5.250 0.378 1.00 0.00 O ATOM 81 N3 U A 44 2.321 3.393 1.443 1.00 0.00 N ATOM 82 C4 U A 44 2.036 2.636 2.563 1.00 0.00 C ATOM 83 O4 U A 44 1.529 1.523 2.453 1.00 0.00 O ATOM 84 C5 U A 44 2.391 3.276 3.809 1.00 0.00 C ATOM 85 C6 U A 44 2.952 4.509 3.820 1.00 0.00 C ATOM 0 H5' U A 44 5.073 7.328 6.421 1.00 0.00 H new ATOM 0 H5'' U A 44 3.673 8.338 6.722 1.00 0.00 H new ATOM 0 H4' U A 44 4.387 8.715 4.551 1.00 0.00 H new ATOM 0 H3' U A 44 1.775 7.148 4.573 1.00 0.00 H new ATOM 0 H2' U A 44 1.844 7.389 2.074 1.00 0.00 H new ATOM 0 HO2' U A 44 3.388 8.662 1.074 1.00 0.00 H new ATOM 0 H1' U A 44 4.414 6.632 1.790 1.00 0.00 H new ATOM 0 H3 U A 44 2.086 2.984 0.539 1.00 0.00 H new ATOM 0 H5 U A 44 2.207 2.765 4.743 1.00 0.00 H new ATOM 0 H6 U A 44 3.205 4.967 4.765 1.00 0.00 H new ATOM 96 P C A 45 0.337 9.346 4.532 1.00 0.00 P ATOM 97 OP1 C A 45 0.083 10.752 4.919 1.00 0.00 O ATOM 98 OP2 C A 45 -0.181 8.247 5.378 1.00 0.00 O ATOM 99 O5' C A 45 -0.220 9.130 3.033 1.00 0.00 O ATOM 100 C5' C A 45 0.111 10.059 1.998 1.00 0.00 C ATOM 101 C4' C A 45 -0.375 9.589 0.625 1.00 0.00 C ATOM 102 O4' C A 45 0.322 8.411 0.226 1.00 0.00 O ATOM 103 C3' C A 45 -1.848 9.226 0.534 1.00 0.00 C ATOM 104 O3' C A 45 -2.655 10.396 0.366 1.00 0.00 O ATOM 105 C2' C A 45 -1.863 8.385 -0.723 1.00 0.00 C ATOM 106 O2' C A 45 -1.863 9.197 -1.903 1.00 0.00 O ATOM 107 C1' C A 45 -0.563 7.605 -0.578 1.00 0.00 C ATOM 108 N1 C A 45 -0.745 6.316 0.110 1.00 0.00 N ATOM 109 C2 C A 45 -1.149 5.239 -0.656 1.00 0.00 C ATOM 110 O2 C A 45 -1.331 5.382 -1.865 1.00 0.00 O ATOM 111 N3 C A 45 -1.336 4.041 -0.034 1.00 0.00 N ATOM 112 C4 C A 45 -1.130 3.910 1.283 1.00 0.00 C ATOM 113 N4 C A 45 -1.316 2.723 1.860 1.00 0.00 N ATOM 114 C5 C A 45 -0.714 5.024 2.075 1.00 0.00 C ATOM 115 C6 C A 45 -0.542 6.203 1.452 1.00 0.00 C ATOM 0 H5' C A 45 1.191 10.201 1.971 1.00 0.00 H new ATOM 0 H5'' C A 45 -0.332 11.028 2.226 1.00 0.00 H new ATOM 0 H4' C A 45 -0.189 10.454 -0.011 1.00 0.00 H new ATOM 0 H3' C A 45 -2.242 8.727 1.420 1.00 0.00 H new ATOM 0 H2' C A 45 -2.749 7.759 -0.828 1.00 0.00 H new ATOM 0 HO2' C A 45 -1.916 10.142 -1.650 1.00 0.00 H new ATOM 0 H1' C A 45 -0.174 7.395 -1.574 1.00 0.00 H new ATOM 0 H41 C A 45 -1.162 2.613 2.862 1.00 0.00 H new ATOM 0 H42 C A 45 -1.613 1.924 1.299 1.00 0.00 H new ATOM 0 H5 C A 45 -0.544 4.923 3.137 1.00 0.00 H new ATOM 0 H6 C A 45 -0.240 7.069 2.022 1.00 0.00 H new ATOM 127 P U A 46 -4.189 10.413 0.866 1.00 0.00 P ATOM 128 OP1 U A 46 -4.718 11.783 0.682 1.00 0.00 O ATOM 129 OP2 U A 46 -4.246 9.777 2.201 1.00 0.00 O ATOM 130 O5' U A 46 -4.934 9.440 -0.187 1.00 0.00 O ATOM 131 C5' U A 46 -5.024 9.808 -1.565 1.00 0.00 C ATOM 132 C4' U A 46 -5.650 8.709 -2.430 1.00 0.00 C ATOM 133 O4' U A 46 -4.810 7.549 -2.456 1.00 0.00 O ATOM 134 C3' U A 46 -6.999 8.200 -1.955 1.00 0.00 C ATOM 135 O3' U A 46 -8.046 9.091 -2.371 1.00 0.00 O ATOM 136 C2' U A 46 -7.078 6.882 -2.700 1.00 0.00 C ATOM 137 O2' U A 46 -7.444 7.071 -4.072 1.00 0.00 O ATOM 138 C1' U A 46 -5.647 6.376 -2.565 1.00 0.00 C ATOM 139 N1 U A 46 -5.442 5.552 -1.357 1.00 0.00 N ATOM 140 C2 U A 46 -5.756 4.207 -1.439 1.00 0.00 C ATOM 141 O2 U A 46 -6.151 3.687 -2.478 1.00 0.00 O ATOM 142 N3 U A 46 -5.598 3.476 -0.279 1.00 0.00 N ATOM 143 C4 U A 46 -5.158 3.959 0.939 1.00 0.00 C ATOM 144 O4 U A 46 -5.056 3.211 1.906 1.00 0.00 O ATOM 145 C5 U A 46 -4.853 5.371 0.935 1.00 0.00 C ATOM 146 C6 U A 46 -5.002 6.112 -0.189 1.00 0.00 C ATOM 0 H5' U A 46 -4.027 10.038 -1.942 1.00 0.00 H new ATOM 0 H5'' U A 46 -5.617 10.718 -1.656 1.00 0.00 H new ATOM 0 H4' U A 46 -5.770 9.192 -3.400 1.00 0.00 H new ATOM 0 H3' U A 46 -7.105 8.115 -0.874 1.00 0.00 H new ATOM 0 H2' U A 46 -7.832 6.196 -2.313 1.00 0.00 H new ATOM 0 HO2' U A 46 -7.484 6.202 -4.523 1.00 0.00 H new ATOM 0 H1' U A 46 -5.411 5.750 -3.425 1.00 0.00 H new ATOM 0 H3 U A 46 -5.828 2.483 -0.325 1.00 0.00 H new ATOM 0 H5 U A 46 -4.501 5.842 1.841 1.00 0.00 H new ATOM 0 H6 U A 46 -4.769 7.166 -0.163 1.00 0.00 H new ATOM 157 P C A 47 -9.411 9.205 -1.512 1.00 0.00 P ATOM 158 OP1 C A 47 -10.221 10.304 -2.083 1.00 0.00 O ATOM 159 OP2 C A 47 -9.048 9.231 -0.077 1.00 0.00 O ATOM 160 O5' C A 47 -10.174 7.815 -1.808 1.00 0.00 O ATOM 161 C5' C A 47 -10.663 7.531 -3.123 1.00 0.00 C ATOM 162 C4' C A 47 -11.218 6.110 -3.241 1.00 0.00 C ATOM 163 O4' C A 47 -10.180 5.153 -3.081 1.00 0.00 O ATOM 164 C3' C A 47 -12.260 5.728 -2.215 1.00 0.00 C ATOM 165 O3' C A 47 -13.563 6.215 -2.570 1.00 0.00 O ATOM 166 C2' C A 47 -12.220 4.218 -2.260 1.00 0.00 C ATOM 167 O2' C A 47 -13.063 3.702 -3.296 1.00 0.00 O ATOM 168 C1' C A 47 -10.741 3.934 -2.546 1.00 0.00 C ATOM 169 N1 C A 47 -9.967 3.601 -1.343 1.00 0.00 N ATOM 170 C2 C A 47 -9.947 2.281 -0.923 1.00 0.00 C ATOM 171 O2 C A 47 -10.553 1.425 -1.562 1.00 0.00 O ATOM 172 N3 C A 47 -9.235 1.972 0.200 1.00 0.00 N ATOM 173 C4 C A 47 -8.572 2.926 0.872 1.00 0.00 C ATOM 174 N4 C A 47 -7.869 2.599 1.953 1.00 0.00 N ATOM 175 C5 C A 47 -8.603 4.288 0.440 1.00 0.00 C ATOM 176 C6 C A 47 -9.314 4.576 -0.664 1.00 0.00 C ATOM 0 H5' C A 47 -9.857 7.665 -3.845 1.00 0.00 H new ATOM 0 H5'' C A 47 -11.444 8.246 -3.380 1.00 0.00 H new ATOM 0 H4' C A 47 -11.678 6.107 -4.229 1.00 0.00 H new ATOM 0 H3' C A 47 -12.062 6.148 -1.229 1.00 0.00 H new ATOM 0 H2' C A 47 -12.583 3.747 -1.346 1.00 0.00 H new ATOM 0 HO2' C A 47 -12.908 2.739 -3.395 1.00 0.00 H new ATOM 0 H1' C A 47 -10.688 3.080 -3.222 1.00 0.00 H new ATOM 0 H41 C A 47 -7.363 3.319 2.469 1.00 0.00 H new ATOM 0 H42 C A 47 -7.837 1.629 2.266 1.00 0.00 H new ATOM 0 H5 C A 47 -8.074 5.058 0.981 1.00 0.00 H new ATOM 0 H6 C A 47 -9.366 5.596 -1.014 1.00 0.00 H new ATOM 188 P U A 48 -14.612 6.431 -1.375 1.00 0.00 P ATOM 189 OP1 U A 48 -15.832 7.060 -1.927 1.00 0.00 O ATOM 190 OP2 U A 48 -13.903 7.054 -0.235 1.00 0.00 O ATOM 191 O5' U A 48 -14.953 4.904 -0.989 1.00 0.00 O ATOM 192 C5' U A 48 -16.035 4.184 -1.604 1.00 0.00 C ATOM 193 C4' U A 48 -15.826 2.678 -1.495 1.00 0.00 C ATOM 194 O4' U A 48 -14.854 2.140 -2.378 1.00 0.00 O ATOM 195 C3' U A 48 -15.457 2.204 -0.104 1.00 0.00 C ATOM 196 O3' U A 48 -16.622 1.978 0.706 1.00 0.00 O ATOM 197 C2' U A 48 -14.702 0.885 -0.385 1.00 0.00 C ATOM 198 O2' U A 48 -15.372 -0.240 0.185 1.00 0.00 O ATOM 199 C1' U A 48 -14.700 0.800 -1.909 1.00 0.00 C ATOM 200 N1 U A 48 -13.503 0.185 -2.524 1.00 0.00 N ATOM 201 C2 U A 48 -13.407 -1.193 -2.469 1.00 0.00 C ATOM 202 O2 U A 48 -14.245 -1.883 -1.893 1.00 0.00 O ATOM 203 N3 U A 48 -12.311 -1.753 -3.099 1.00 0.00 N ATOM 204 C4 U A 48 -11.316 -1.064 -3.771 1.00 0.00 C ATOM 205 O4 U A 48 -10.381 -1.666 -4.295 1.00 0.00 O ATOM 206 C5 U A 48 -11.500 0.369 -3.781 1.00 0.00 C ATOM 207 C6 U A 48 -12.567 0.937 -3.171 1.00 0.00 C ATOM 0 H5' U A 48 -16.114 4.468 -2.653 1.00 0.00 H new ATOM 0 H5'' U A 48 -16.976 4.459 -1.127 1.00 0.00 H new ATOM 0 H4' U A 48 -16.813 2.309 -1.775 1.00 0.00 H new ATOM 0 H3' U A 48 -14.867 2.931 0.455 1.00 0.00 H new ATOM 0 H2' U A 48 -13.703 0.875 0.051 1.00 0.00 H new ATOM 0 HO2' U A 48 -15.169 -1.042 -0.340 1.00 0.00 H new ATOM 0 H1' U A 48 -15.509 0.131 -2.203 1.00 0.00 H new ATOM 0 H3 U A 48 -12.228 -2.769 -3.065 1.00 0.00 H new ATOM 0 H5 U A 48 -10.777 0.996 -4.282 1.00 0.00 H new ATOM 0 H6 U A 48 -12.680 2.011 -3.197 1.00 0.00 H new ATOM 218 P U A 49 -16.621 2.225 2.309 1.00 0.00 P ATOM 219 OP1 U A 49 -17.971 1.909 2.826 1.00 0.00 O ATOM 220 OP2 U A 49 -16.025 3.554 2.571 1.00 0.00 O ATOM 221 O5' U A 49 -15.602 1.103 2.850 1.00 0.00 O ATOM 222 C5' U A 49 -15.838 -0.289 2.690 1.00 0.00 C ATOM 223 C4' U A 49 -14.593 -1.072 3.099 1.00 0.00 C ATOM 224 O4' U A 49 -13.464 -0.486 2.429 1.00 0.00 O ATOM 225 C3' U A 49 -14.260 -1.058 4.591 1.00 0.00 C ATOM 226 O3' U A 49 -13.744 -2.346 4.913 1.00 0.00 O ATOM 227 C2' U A 49 -13.164 -0.029 4.752 1.00 0.00 C ATOM 228 O2' U A 49 -12.241 -0.406 5.779 1.00 0.00 O ATOM 229 C1' U A 49 -12.499 -0.012 3.391 1.00 0.00 C ATOM 230 N1 U A 49 -12.057 1.342 3.003 1.00 0.00 N ATOM 231 C2 U A 49 -10.810 1.752 3.439 1.00 0.00 C ATOM 232 O2 U A 49 -10.065 1.011 4.076 1.00 0.00 O ATOM 233 N3 U A 49 -10.447 3.046 3.116 1.00 0.00 N ATOM 234 C4 U A 49 -11.209 3.953 2.403 1.00 0.00 C ATOM 235 O4 U A 49 -10.782 5.082 2.168 1.00 0.00 O ATOM 236 C5 U A 49 -12.494 3.442 1.988 1.00 0.00 C ATOM 237 C6 U A 49 -12.874 2.177 2.297 1.00 0.00 C ATOM 0 H5' U A 49 -16.093 -0.508 1.653 1.00 0.00 H new ATOM 0 H5'' U A 49 -16.689 -0.596 3.299 1.00 0.00 H new ATOM 0 H4' U A 49 -14.802 -2.107 2.830 1.00 0.00 H new ATOM 0 H3' U A 49 -15.117 -0.829 5.225 1.00 0.00 H new ATOM 0 H2' U A 49 -13.540 0.949 5.053 1.00 0.00 H new ATOM 0 HO2' U A 49 -12.736 -0.733 6.559 1.00 0.00 H new ATOM 0 H1' U A 49 -11.612 -0.645 3.425 1.00 0.00 H new ATOM 0 H3 U A 49 -9.531 3.362 3.434 1.00 0.00 H new ATOM 0 H5 U A 49 -13.162 4.076 1.424 1.00 0.00 H new ATOM 0 H6 U A 49 -13.843 1.823 1.978 1.00 0.00 H new ATOM 248 P G A 50 -13.823 -2.997 6.377 1.00 0.00 P ATOM 249 OP1 G A 50 -15.246 -3.195 6.732 1.00 0.00 O ATOM 250 OP2 G A 50 -12.920 -2.249 7.280 1.00 0.00 O ATOM 251 O5' G A 50 -13.167 -4.427 6.057 1.00 0.00 O ATOM 252 C5' G A 50 -13.846 -5.344 5.198 1.00 0.00 C ATOM 253 C4' G A 50 -12.901 -5.962 4.178 1.00 0.00 C ATOM 254 O4' G A 50 -12.471 -4.988 3.233 1.00 0.00 O ATOM 255 C3' G A 50 -11.640 -6.552 4.749 1.00 0.00 C ATOM 256 O3' G A 50 -11.871 -7.873 5.209 1.00 0.00 O ATOM 257 C2' G A 50 -10.689 -6.539 3.576 1.00 0.00 C ATOM 258 O2' G A 50 -10.858 -7.697 2.750 1.00 0.00 O ATOM 259 C1' G A 50 -11.107 -5.266 2.848 1.00 0.00 C ATOM 260 N9 G A 50 -10.308 -4.078 3.200 1.00 0.00 N ATOM 261 C8 G A 50 -9.599 -3.835 4.343 1.00 0.00 C ATOM 262 N7 G A 50 -8.967 -2.698 4.345 1.00 0.00 N ATOM 263 C5 G A 50 -9.274 -2.144 3.108 1.00 0.00 C ATOM 264 C6 G A 50 -8.874 -0.904 2.548 1.00 0.00 C ATOM 265 O6 G A 50 -8.138 -0.054 3.042 1.00 0.00 O ATOM 266 N1 G A 50 -9.418 -0.717 1.280 1.00 0.00 N ATOM 267 C2 G A 50 -10.236 -1.624 0.631 1.00 0.00 C ATOM 268 N2 G A 50 -10.660 -1.282 -0.586 1.00 0.00 N ATOM 269 N3 G A 50 -10.606 -2.795 1.160 1.00 0.00 N ATOM 270 C4 G A 50 -10.092 -2.984 2.397 1.00 0.00 C ATOM 0 H5' G A 50 -14.654 -4.828 4.680 1.00 0.00 H new ATOM 0 H5'' G A 50 -14.303 -6.133 5.796 1.00 0.00 H new ATOM 0 H4' G A 50 -13.495 -6.762 3.736 1.00 0.00 H new ATOM 0 H3' G A 50 -11.256 -6.003 5.609 1.00 0.00 H new ATOM 0 H2' G A 50 -9.637 -6.557 3.861 1.00 0.00 H new ATOM 0 HO2' G A 50 -11.400 -7.464 1.967 1.00 0.00 H new ATOM 0 H1' G A 50 -10.968 -5.443 1.782 1.00 0.00 H new ATOM 0 H8 G A 50 -9.566 -4.526 5.172 1.00 0.00 H new ATOM 0 H1 G A 50 -9.197 0.152 0.794 1.00 0.00 H new ATOM 0 H21 G A 50 -11.266 -1.913 -1.111 1.00 0.00 H new ATOM 0 H22 G A 50 -10.379 -0.390 -0.992 1.00 0.00 H new ATOM 282 P U A 51 -10.702 -8.615 6.003 1.00 0.00 P ATOM 283 OP1 U A 51 -11.234 -9.880 6.556 1.00 0.00 O ATOM 284 OP2 U A 51 -10.031 -7.634 6.885 1.00 0.00 O ATOM 285 O5' U A 51 -9.722 -8.960 4.773 1.00 0.00 O ATOM 286 C5' U A 51 -8.345 -9.243 4.968 1.00 0.00 C ATOM 287 C4' U A 51 -7.715 -9.774 3.687 1.00 0.00 C ATOM 288 O4' U A 51 -8.329 -11.021 3.347 1.00 0.00 O ATOM 289 C3' U A 51 -7.852 -8.864 2.470 1.00 0.00 C ATOM 290 O3' U A 51 -6.648 -8.988 1.714 1.00 0.00 O ATOM 291 C2' U A 51 -9.026 -9.423 1.687 1.00 0.00 C ATOM 292 O2' U A 51 -8.793 -9.331 0.277 1.00 0.00 O ATOM 293 C1' U A 51 -9.093 -10.883 2.138 1.00 0.00 C ATOM 294 N1 U A 51 -10.463 -11.392 2.417 1.00 0.00 N ATOM 295 C2 U A 51 -10.832 -12.599 1.841 1.00 0.00 C ATOM 296 O2 U A 51 -10.078 -13.224 1.098 1.00 0.00 O ATOM 297 N3 U A 51 -12.099 -13.060 2.146 1.00 0.00 N ATOM 298 C4 U A 51 -13.021 -12.434 2.966 1.00 0.00 C ATOM 299 O4 U A 51 -14.123 -12.938 3.169 1.00 0.00 O ATOM 300 C5 U A 51 -12.558 -11.185 3.525 1.00 0.00 C ATOM 301 C6 U A 51 -11.320 -10.710 3.242 1.00 0.00 C ATOM 0 H5' U A 51 -8.229 -9.976 5.766 1.00 0.00 H new ATOM 0 H5'' U A 51 -7.825 -8.340 5.287 1.00 0.00 H new ATOM 0 H4' U A 51 -6.651 -9.858 3.909 1.00 0.00 H new ATOM 0 H3' U A 51 -8.012 -7.815 2.717 1.00 0.00 H new ATOM 0 H2' U A 51 -9.954 -8.880 1.868 1.00 0.00 H new ATOM 0 HO2' U A 51 -9.562 -9.699 -0.206 1.00 0.00 H new ATOM 0 H1' U A 51 -8.702 -11.468 1.306 1.00 0.00 H new ATOM 0 H3 U A 51 -12.381 -13.946 1.727 1.00 0.00 H new ATOM 0 H5 U A 51 -13.208 -10.621 4.178 1.00 0.00 H new ATOM 0 H6 U A 51 -11.002 -9.774 3.676 1.00 0.00 H new ATOM 312 P A A 52 -5.596 -7.787 1.529 1.00 0.00 P ATOM 313 OP1 A A 52 -4.380 -8.334 0.887 1.00 0.00 O ATOM 314 OP2 A A 52 -5.487 -7.066 2.818 1.00 0.00 O ATOM 315 O5' A A 52 -6.328 -6.822 0.477 1.00 0.00 O ATOM 316 C5' A A 52 -7.194 -7.369 -0.517 1.00 0.00 C ATOM 317 C4' A A 52 -7.561 -6.332 -1.566 1.00 0.00 C ATOM 318 O4' A A 52 -8.322 -5.245 -1.014 1.00 0.00 O ATOM 319 C3' A A 52 -6.342 -5.698 -2.207 1.00 0.00 C ATOM 320 O3' A A 52 -5.858 -6.559 -3.246 1.00 0.00 O ATOM 321 C2' A A 52 -6.919 -4.417 -2.763 1.00 0.00 C ATOM 322 O2' A A 52 -7.617 -4.644 -3.994 1.00 0.00 O ATOM 323 C1' A A 52 -7.872 -4.024 -1.642 1.00 0.00 C ATOM 324 N9 A A 52 -7.254 -3.197 -0.595 1.00 0.00 N ATOM 325 C8 A A 52 -6.861 -3.561 0.669 1.00 0.00 C ATOM 326 N7 A A 52 -6.383 -2.572 1.375 1.00 0.00 N ATOM 327 C5 A A 52 -6.469 -1.478 0.516 1.00 0.00 C ATOM 328 C6 A A 52 -6.119 -0.124 0.659 1.00 0.00 C ATOM 329 N6 A A 52 -5.592 0.378 1.773 1.00 0.00 N ATOM 330 N1 A A 52 -6.333 0.685 -0.391 1.00 0.00 N ATOM 331 C2 A A 52 -6.859 0.178 -1.501 1.00 0.00 C ATOM 332 N3 A A 52 -7.230 -1.066 -1.756 1.00 0.00 N ATOM 333 C4 A A 52 -7.001 -1.852 -0.684 1.00 0.00 C ATOM 0 H5' A A 52 -8.101 -7.746 -0.044 1.00 0.00 H new ATOM 0 H5'' A A 52 -6.708 -8.218 -0.997 1.00 0.00 H new ATOM 0 H4' A A 52 -8.143 -6.888 -2.301 1.00 0.00 H new ATOM 0 H3' A A 52 -5.497 -5.528 -1.540 1.00 0.00 H new ATOM 0 H2' A A 52 -6.177 -3.658 -3.012 1.00 0.00 H new ATOM 0 HO2' A A 52 -7.979 -3.796 -4.326 1.00 0.00 H new ATOM 0 H1' A A 52 -8.673 -3.435 -2.089 1.00 0.00 H new ATOM 0 H8 A A 52 -6.940 -4.571 1.044 1.00 0.00 H new ATOM 0 H61 A A 52 -5.356 1.369 1.824 1.00 0.00 H new ATOM 0 H62 A A 52 -5.424 -0.228 2.576 1.00 0.00 H new ATOM 0 H2 A A 52 -7.004 0.880 -2.309 1.00 0.00 H new ATOM 345 P G A 53 -4.304 -6.575 -3.674 1.00 0.00 P ATOM 346 OP1 G A 53 -4.112 -7.642 -4.681 1.00 0.00 O ATOM 347 OP2 G A 53 -3.484 -6.568 -2.442 1.00 0.00 O ATOM 348 O5' G A 53 -4.122 -5.158 -4.405 1.00 0.00 O ATOM 349 C5' G A 53 -4.808 -4.873 -5.622 1.00 0.00 C ATOM 350 C4' G A 53 -4.599 -3.424 -6.034 1.00 0.00 C ATOM 351 O4' G A 53 -5.189 -2.546 -5.073 1.00 0.00 O ATOM 352 C3' G A 53 -3.147 -2.998 -6.124 1.00 0.00 C ATOM 353 O3' G A 53 -2.585 -3.398 -7.378 1.00 0.00 O ATOM 354 C2' G A 53 -3.287 -1.491 -6.049 1.00 0.00 C ATOM 355 O2' G A 53 -3.692 -0.938 -7.307 1.00 0.00 O ATOM 356 C1' G A 53 -4.385 -1.356 -4.997 1.00 0.00 C ATOM 357 N9 G A 53 -3.860 -1.239 -3.627 1.00 0.00 N ATOM 358 C8 G A 53 -3.686 -2.214 -2.679 1.00 0.00 C ATOM 359 N7 G A 53 -3.171 -1.779 -1.563 1.00 0.00 N ATOM 360 C5 G A 53 -2.988 -0.418 -1.789 1.00 0.00 C ATOM 361 C6 G A 53 -2.456 0.582 -0.932 1.00 0.00 C ATOM 362 O6 G A 53 -2.044 0.453 0.220 1.00 0.00 O ATOM 363 N1 G A 53 -2.442 1.829 -1.553 1.00 0.00 N ATOM 364 C2 G A 53 -2.890 2.077 -2.839 1.00 0.00 C ATOM 365 N2 G A 53 -2.802 3.334 -3.276 1.00 0.00 N ATOM 366 N3 G A 53 -3.391 1.134 -3.638 1.00 0.00 N ATOM 367 C4 G A 53 -3.408 -0.082 -3.049 1.00 0.00 C ATOM 0 H5' G A 53 -5.873 -5.071 -5.499 1.00 0.00 H new ATOM 0 H5'' G A 53 -4.450 -5.535 -6.410 1.00 0.00 H new ATOM 0 H4' G A 53 -5.055 -3.360 -7.022 1.00 0.00 H new ATOM 0 H3' G A 53 -2.495 -3.428 -5.364 1.00 0.00 H new ATOM 0 H2' G A 53 -2.364 -0.963 -5.807 1.00 0.00 H new ATOM 0 HO2' G A 53 -3.685 -1.640 -7.990 1.00 0.00 H new ATOM 0 H1' G A 53 -4.948 -0.445 -5.203 1.00 0.00 H new ATOM 0 H8 G A 53 -3.951 -3.248 -2.842 1.00 0.00 H new ATOM 0 H1 G A 53 -2.074 2.618 -1.021 1.00 0.00 H new ATOM 0 H21 G A 53 -3.118 3.570 -4.216 1.00 0.00 H new ATOM 0 H22 G A 53 -2.418 4.059 -2.670 1.00 0.00 H new ATOM 379 P A A 54 -1.007 -3.704 -7.518 1.00 0.00 P ATOM 380 OP1 A A 54 -0.747 -4.179 -8.895 1.00 0.00 O ATOM 381 OP2 A A 54 -0.591 -4.527 -6.361 1.00 0.00 O ATOM 382 O5' A A 54 -0.357 -2.243 -7.357 1.00 0.00 O ATOM 383 C5' A A 54 -0.606 -1.225 -8.322 1.00 0.00 C ATOM 384 C4' A A 54 -0.034 0.113 -7.870 1.00 0.00 C ATOM 385 O4' A A 54 -0.697 0.577 -6.688 1.00 0.00 O ATOM 386 C3' A A 54 1.438 0.100 -7.504 1.00 0.00 C ATOM 387 O3' A A 54 2.255 0.201 -8.667 1.00 0.00 O ATOM 388 C2' A A 54 1.550 1.373 -6.700 1.00 0.00 C ATOM 389 O2' A A 54 1.647 2.523 -7.547 1.00 0.00 O ATOM 390 C1' A A 54 0.245 1.360 -5.926 1.00 0.00 C ATOM 391 N9 A A 54 0.374 0.767 -4.584 1.00 0.00 N ATOM 392 C8 A A 54 0.059 -0.497 -4.156 1.00 0.00 C ATOM 393 N7 A A 54 0.279 -0.693 -2.885 1.00 0.00 N ATOM 394 C5 A A 54 0.779 0.529 -2.445 1.00 0.00 C ATOM 395 C6 A A 54 1.211 0.981 -1.189 1.00 0.00 C ATOM 396 N6 A A 54 1.204 0.219 -0.096 1.00 0.00 N ATOM 397 N1 A A 54 1.648 2.248 -1.110 1.00 0.00 N ATOM 398 C2 A A 54 1.657 3.003 -2.203 1.00 0.00 C ATOM 399 N3 A A 54 1.275 2.695 -3.428 1.00 0.00 N ATOM 400 C4 A A 54 0.840 1.420 -3.475 1.00 0.00 C ATOM 0 H5' A A 54 -1.680 -1.129 -8.484 1.00 0.00 H new ATOM 0 H5'' A A 54 -0.164 -1.509 -9.277 1.00 0.00 H new ATOM 0 H4' A A 54 -0.184 0.750 -8.742 1.00 0.00 H new ATOM 0 H3' A A 54 1.755 -0.806 -6.988 1.00 0.00 H new ATOM 0 H2' A A 54 2.438 1.423 -6.070 1.00 0.00 H new ATOM 0 HO2' A A 54 1.619 2.242 -8.485 1.00 0.00 H new ATOM 0 H1' A A 54 -0.079 2.391 -5.786 1.00 0.00 H new ATOM 0 H8 A A 54 -0.335 -1.260 -4.811 1.00 0.00 H new ATOM 0 H61 A A 54 1.530 0.599 0.793 1.00 0.00 H new ATOM 0 H62 A A 54 0.873 -0.744 -0.148 1.00 0.00 H new ATOM 0 H2 A A 54 2.029 4.008 -2.071 1.00 0.00 H new ATOM 412 P U A 55 3.749 -0.393 -8.678 1.00 0.00 P ATOM 413 OP1 U A 55 4.328 -0.183 -10.024 1.00 0.00 O ATOM 414 OP2 U A 55 3.720 -1.747 -8.082 1.00 0.00 O ATOM 415 O5' U A 55 4.477 0.604 -7.647 1.00 0.00 O ATOM 416 C5' U A 55 4.590 1.995 -7.937 1.00 0.00 C ATOM 417 C4' U A 55 5.161 2.766 -6.750 1.00 0.00 C ATOM 418 O4' U A 55 4.278 2.678 -5.632 1.00 0.00 O ATOM 419 C3' U A 55 6.483 2.245 -6.226 1.00 0.00 C ATOM 420 O3' U A 55 7.562 2.737 -7.027 1.00 0.00 O ATOM 421 C2' U A 55 6.526 2.877 -4.846 1.00 0.00 C ATOM 422 O2' U A 55 7.031 4.216 -4.897 1.00 0.00 O ATOM 423 C1' U A 55 5.056 2.848 -4.430 1.00 0.00 C ATOM 424 N1 U A 55 4.748 1.742 -3.506 1.00 0.00 N ATOM 425 C2 U A 55 5.015 1.956 -2.172 1.00 0.00 C ATOM 426 O2 U A 55 5.467 3.024 -1.763 1.00 0.00 O ATOM 427 N3 U A 55 4.747 0.904 -1.322 1.00 0.00 N ATOM 428 C4 U A 55 4.238 -0.328 -1.679 1.00 0.00 C ATOM 429 O4 U A 55 4.034 -1.188 -0.821 1.00 0.00 O ATOM 430 C5 U A 55 3.986 -0.470 -3.099 1.00 0.00 C ATOM 431 C6 U A 55 4.249 0.549 -3.954 1.00 0.00 C ATOM 0 H5' U A 55 3.610 2.395 -8.195 1.00 0.00 H new ATOM 0 H5'' U A 55 5.231 2.136 -8.807 1.00 0.00 H new ATOM 0 H4' U A 55 5.294 3.775 -7.140 1.00 0.00 H new ATOM 0 H3' U A 55 6.572 1.159 -6.229 1.00 0.00 H new ATOM 0 H2' U A 55 7.186 2.359 -4.150 1.00 0.00 H new ATOM 0 HO2' U A 55 7.273 4.439 -5.820 1.00 0.00 H new ATOM 0 H1' U A 55 4.823 3.776 -3.907 1.00 0.00 H new ATOM 0 H3 U A 55 4.944 1.051 -0.332 1.00 0.00 H new ATOM 0 H5 U A 55 3.584 -1.397 -3.480 1.00 0.00 H new ATOM 0 H6 U A 55 4.061 0.417 -5.009 1.00 0.00 H new ATOM 442 P C A 56 8.935 1.905 -7.180 1.00 0.00 P ATOM 443 OP1 C A 56 9.795 2.613 -8.155 1.00 0.00 O ATOM 444 OP2 C A 56 8.587 0.484 -7.406 1.00 0.00 O ATOM 445 O5' C A 56 9.621 2.027 -5.727 1.00 0.00 O ATOM 446 C5' C A 56 10.059 3.290 -5.223 1.00 0.00 C ATOM 447 C4' C A 56 10.570 3.175 -3.786 1.00 0.00 C ATOM 448 O4' C A 56 9.523 2.808 -2.897 1.00 0.00 O ATOM 449 C3' C A 56 11.639 2.123 -3.580 1.00 0.00 C ATOM 450 O3' C A 56 12.912 2.646 -3.966 1.00 0.00 O ATOM 451 C2' C A 56 11.588 1.908 -2.077 1.00 0.00 C ATOM 452 O2' C A 56 12.480 2.796 -1.392 1.00 0.00 O ATOM 453 C1' C A 56 10.124 2.209 -1.732 1.00 0.00 C ATOM 454 N1 C A 56 9.342 1.008 -1.378 1.00 0.00 N ATOM 455 C2 C A 56 9.437 0.550 -0.073 1.00 0.00 C ATOM 456 O2 C A 56 10.152 1.143 0.732 1.00 0.00 O ATOM 457 N3 C A 56 8.727 -0.562 0.278 1.00 0.00 N ATOM 458 C4 C A 56 7.961 -1.195 -0.623 1.00 0.00 C ATOM 459 N4 C A 56 7.278 -2.278 -0.258 1.00 0.00 N ATOM 460 C5 C A 56 7.865 -0.725 -1.970 1.00 0.00 C ATOM 461 C6 C A 56 8.569 0.373 -2.302 1.00 0.00 C ATOM 0 H5' C A 56 9.236 4.003 -5.261 1.00 0.00 H new ATOM 0 H5'' C A 56 10.851 3.683 -5.861 1.00 0.00 H new ATOM 0 H4' C A 56 10.981 4.164 -3.585 1.00 0.00 H new ATOM 0 H3' C A 56 11.489 1.211 -4.158 1.00 0.00 H new ATOM 0 H2' C A 56 11.900 0.907 -1.778 1.00 0.00 H new ATOM 0 HO2' C A 56 12.817 3.469 -2.019 1.00 0.00 H new ATOM 0 H1' C A 56 10.116 2.862 -0.860 1.00 0.00 H new ATOM 0 H41 C A 56 6.693 -2.765 -0.937 1.00 0.00 H new ATOM 0 H42 C A 56 7.340 -2.621 0.701 1.00 0.00 H new ATOM 0 H5 C A 56 7.249 -1.234 -2.696 1.00 0.00 H new ATOM 0 H6 C A 56 8.520 0.754 -3.311 1.00 0.00 H new ATOM 473 P A A 57 14.092 1.683 -4.492 1.00 0.00 P ATOM 474 OP1 A A 57 15.218 2.536 -4.935 1.00 0.00 O ATOM 475 OP2 A A 57 13.501 0.703 -5.430 1.00 0.00 O ATOM 476 O5' A A 57 14.558 0.889 -3.167 1.00 0.00 O ATOM 477 C5' A A 57 15.135 1.594 -2.066 1.00 0.00 C ATOM 478 C4' A A 57 15.485 0.662 -0.903 1.00 0.00 C ATOM 479 O4' A A 57 14.295 0.115 -0.332 1.00 0.00 O ATOM 480 C3' A A 57 16.369 -0.527 -1.302 1.00 0.00 C ATOM 481 O3' A A 57 17.700 -0.369 -0.798 1.00 0.00 O ATOM 482 C2' A A 57 15.694 -1.742 -0.665 1.00 0.00 C ATOM 483 O2' A A 57 16.634 -2.534 0.070 1.00 0.00 O ATOM 484 C1' A A 57 14.651 -1.132 0.254 1.00 0.00 C ATOM 485 N9 A A 57 13.437 -1.960 0.415 1.00 0.00 N ATOM 486 C8 A A 57 12.258 -1.920 -0.282 1.00 0.00 C ATOM 487 N7 A A 57 11.392 -2.821 0.092 1.00 0.00 N ATOM 488 C5 A A 57 12.044 -3.508 1.110 1.00 0.00 C ATOM 489 C6 A A 57 11.663 -4.588 1.925 1.00 0.00 C ATOM 490 N6 A A 57 10.477 -5.189 1.833 1.00 0.00 N ATOM 491 N1 A A 57 12.555 -5.019 2.833 1.00 0.00 N ATOM 492 C2 A A 57 13.734 -4.416 2.919 1.00 0.00 C ATOM 493 N3 A A 57 14.206 -3.400 2.215 1.00 0.00 N ATOM 494 C4 A A 57 13.291 -2.990 1.313 1.00 0.00 C ATOM 0 H5' A A 57 14.438 2.358 -1.720 1.00 0.00 H new ATOM 0 H5'' A A 57 16.035 2.111 -2.399 1.00 0.00 H new ATOM 0 H4' A A 57 16.036 1.285 -0.199 1.00 0.00 H new ATOM 0 H3' A A 57 16.462 -0.622 -2.384 1.00 0.00 H new ATOM 0 H2' A A 57 15.262 -2.418 -1.403 1.00 0.00 H new ATOM 0 HO2' A A 57 17.379 -1.969 0.363 1.00 0.00 H new ATOM 0 HO3' A A 57 18.256 -1.116 -1.104 1.00 0.00 H new ATOM 0 H1' A A 57 15.074 -1.038 1.254 1.00 0.00 H new ATOM 0 H8 A A 57 12.063 -1.207 -1.070 1.00 0.00 H new ATOM 0 H61 A A 57 10.252 -5.969 2.450 1.00 0.00 H new ATOM 0 H62 A A 57 9.795 -4.868 1.146 1.00 0.00 H new ATOM 0 H2 A A 57 14.403 -4.810 3.670 1.00 0.00 H new TER 507 A A 57