USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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 1 G O2' : rot -30:sc= 0.301 USER MOD Single : A 1 G O5' : rot -12:sc= 0.415! USER MOD Single : A 2 G O2' : rot -13:sc= 0.314 USER MOD Single : A 3 U O2' : rot -12:sc= 0.302 USER MOD Single : A 4 U O2' : rot -14:sc= 0.301 USER MOD Single : A 5 C O2' : rot -19:sc= 0.384 USER MOD Single : A 6 A O2' : rot -12:sc= -0.351 USER MOD Single : A 7 G O2' : rot -17:sc= 0.439 USER MOD Single : A 8 A O2' : rot -147:sc= -7.85! USER MOD Single : A 9 A O2' : rot 2:sc= 0.547 USER MOD Single : A 10 G O2' : rot -13:sc= 0.317 USER MOD Single : A 11 A O2' : rot -18:sc= 0.401 USER MOD Single : A 12 A O2' : rot -22:sc= 0.35 USER MOD Single : A 13 C O2' : rot -14:sc= 0.356 USER MOD Single : A 14 C O2' : rot -11:sc= 0.228 USER MOD Single : A 14 C O3' : rot 180:sc= 0.198 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.034 -6.437 -9.751 1.00 0.00 O ATOM 2 C5' G A 1 -5.384 -6.435 -10.221 1.00 0.00 C ATOM 3 C4' G A 1 -6.263 -7.376 -9.403 1.00 0.00 C ATOM 4 O4' G A 1 -5.645 -8.660 -9.246 1.00 0.00 O ATOM 5 C3' G A 1 -6.476 -6.839 -7.995 1.00 0.00 C ATOM 6 O3' G A 1 -7.717 -6.130 -7.963 1.00 0.00 O ATOM 7 C2' G A 1 -6.623 -8.100 -7.164 1.00 0.00 C ATOM 8 O2' G A 1 -7.969 -8.587 -7.182 1.00 0.00 O ATOM 9 C1' G A 1 -5.670 -9.057 -7.867 1.00 0.00 C ATOM 10 N9 G A 1 -4.325 -8.987 -7.267 1.00 0.00 N ATOM 11 C8 G A 1 -3.158 -8.551 -7.805 1.00 0.00 C ATOM 12 N7 G A 1 -2.106 -8.581 -7.058 1.00 0.00 N ATOM 13 C5 G A 1 -2.619 -9.101 -5.865 1.00 0.00 C ATOM 14 C6 G A 1 -1.962 -9.381 -4.636 1.00 0.00 C ATOM 15 O6 G A 1 -0.776 -9.222 -4.351 1.00 0.00 O ATOM 16 N1 G A 1 -2.843 -9.895 -3.693 1.00 0.00 N ATOM 17 C2 G A 1 -4.190 -10.116 -3.900 1.00 0.00 C ATOM 18 N2 G A 1 -4.870 -10.616 -2.869 1.00 0.00 N ATOM 19 N3 G A 1 -4.816 -9.855 -5.052 1.00 0.00 N ATOM 20 C4 G A 1 -3.977 -9.353 -5.987 1.00 0.00 C ATOM 0 H5' G A 1 -5.406 -6.734 -11.269 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.786 -5.423 -10.170 1.00 0.00 H new ATOM 0 H4' G A 1 -7.205 -7.456 -9.945 1.00 0.00 H new ATOM 0 H3' G A 1 -5.681 -6.176 -7.653 1.00 0.00 H new ATOM 0 H2' G A 1 -6.398 -7.958 -6.107 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.588 -7.835 -7.292 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.990 -6.894 -8.885 1.00 0.00 H new ATOM 0 H1' G A 1 -6.000 -10.091 -7.767 1.00 0.00 H new ATOM 0 H8 G A 1 -3.111 -8.192 -8.822 1.00 0.00 H new ATOM 0 H1 G A 1 -2.465 -10.128 -2.775 1.00 0.00 H new ATOM 0 H21 G A 1 -5.869 -10.802 -2.959 1.00 0.00 H new ATOM 0 H22 G A 1 -4.392 -10.813 -1.990 1.00 0.00 H new ATOM 33 P G A 2 -7.895 -4.838 -7.017 1.00 0.00 P ATOM 34 OP1 G A 2 -9.180 -4.188 -7.356 1.00 0.00 O ATOM 35 OP2 G A 2 -6.638 -4.057 -7.061 1.00 0.00 O ATOM 36 O5' G A 2 -8.030 -5.491 -5.552 1.00 0.00 O ATOM 37 C5' G A 2 -9.306 -5.917 -5.066 1.00 0.00 C ATOM 38 C4' G A 2 -9.227 -6.409 -3.623 1.00 0.00 C ATOM 39 O4' G A 2 -8.228 -7.418 -3.465 1.00 0.00 O ATOM 40 C3' G A 2 -8.813 -5.294 -2.682 1.00 0.00 C ATOM 41 O3' G A 2 -9.988 -4.619 -2.228 1.00 0.00 O ATOM 42 C2' G A 2 -8.212 -6.053 -1.515 1.00 0.00 C ATOM 43 O2' G A 2 -9.217 -6.473 -0.585 1.00 0.00 O ATOM 44 C1' G A 2 -7.555 -7.244 -2.204 1.00 0.00 C ATOM 45 N9 G A 2 -6.114 -6.998 -2.397 1.00 0.00 N ATOM 46 C8 G A 2 -5.432 -6.674 -3.521 1.00 0.00 C ATOM 47 N7 G A 2 -4.157 -6.505 -3.421 1.00 0.00 N ATOM 48 C5 G A 2 -3.945 -6.743 -2.059 1.00 0.00 C ATOM 49 C6 G A 2 -2.740 -6.715 -1.305 1.00 0.00 C ATOM 50 O6 G A 2 -1.601 -6.468 -1.696 1.00 0.00 O ATOM 51 N1 G A 2 -2.972 -7.013 0.032 1.00 0.00 N ATOM 52 C2 G A 2 -4.203 -7.305 0.582 1.00 0.00 C ATOM 53 N2 G A 2 -4.220 -7.565 1.890 1.00 0.00 N ATOM 54 N3 G A 2 -5.339 -7.334 -0.120 1.00 0.00 N ATOM 55 C4 G A 2 -5.141 -7.047 -1.426 1.00 0.00 C ATOM 0 H5' G A 2 -9.689 -6.715 -5.702 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.014 -5.091 -5.130 1.00 0.00 H new ATOM 0 H4' G A 2 -10.222 -6.789 -3.391 1.00 0.00 H new ATOM 0 H3' G A 2 -8.142 -4.561 -3.130 1.00 0.00 H new ATOM 0 H2' G A 2 -7.519 -5.457 -0.921 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.059 -6.013 -0.783 1.00 0.00 H new ATOM 0 H1' G A 2 -7.641 -8.146 -1.599 1.00 0.00 H new ATOM 0 H8 G A 2 -5.938 -6.561 -4.468 1.00 0.00 H new ATOM 0 H1 G A 2 -2.167 -7.016 0.658 1.00 0.00 H new ATOM 0 H21 G A 2 -5.100 -7.788 2.354 1.00 0.00 H new ATOM 0 H22 G A 2 -3.353 -7.541 2.426 1.00 0.00 H new ATOM 67 P U A 3 -10.039 -3.009 -2.200 1.00 0.00 P ATOM 68 OP1 U A 3 -11.457 -2.593 -2.121 1.00 0.00 O ATOM 69 OP2 U A 3 -9.179 -2.500 -3.291 1.00 0.00 O ATOM 70 O5' U A 3 -9.332 -2.659 -0.796 1.00 0.00 O ATOM 71 C5' U A 3 -10.105 -2.602 0.405 1.00 0.00 C ATOM 72 C4' U A 3 -9.251 -2.855 1.645 1.00 0.00 C ATOM 73 O4' U A 3 -8.286 -3.885 1.421 1.00 0.00 O ATOM 74 C3' U A 3 -8.431 -1.635 2.013 1.00 0.00 C ATOM 75 O3' U A 3 -9.212 -0.795 2.867 1.00 0.00 O ATOM 76 C2' U A 3 -7.304 -2.237 2.829 1.00 0.00 C ATOM 77 O2' U A 3 -7.684 -2.419 4.198 1.00 0.00 O ATOM 78 C1' U A 3 -7.073 -3.574 2.131 1.00 0.00 C ATOM 79 N1 U A 3 -5.922 -3.484 1.212 1.00 0.00 N ATOM 80 C2 U A 3 -4.659 -3.516 1.773 1.00 0.00 C ATOM 81 O2 U A 3 -4.485 -3.616 2.985 1.00 0.00 O ATOM 82 N3 U A 3 -3.599 -3.424 0.890 1.00 0.00 N ATOM 83 C4 U A 3 -3.692 -3.308 -0.487 1.00 0.00 C ATOM 84 O4 U A 3 -2.679 -3.235 -1.179 1.00 0.00 O ATOM 85 C5 U A 3 -5.048 -3.282 -0.985 1.00 0.00 C ATOM 86 C6 U A 3 -6.103 -3.370 -0.139 1.00 0.00 C ATOM 0 H5' U A 3 -10.904 -3.342 0.358 1.00 0.00 H new ATOM 0 H5'' U A 3 -10.580 -1.624 0.485 1.00 0.00 H new ATOM 0 H4' U A 3 -9.960 -3.125 2.428 1.00 0.00 H new ATOM 0 H3' U A 3 -8.101 -1.046 1.157 1.00 0.00 H new ATOM 0 H2' U A 3 -6.415 -1.608 2.870 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.523 -1.942 4.371 1.00 0.00 H new ATOM 0 H1' U A 3 -6.840 -4.360 2.849 1.00 0.00 H new ATOM 0 H3 U A 3 -2.661 -3.443 1.290 1.00 0.00 H new ATOM 0 H5 U A 3 -5.223 -3.191 -2.047 1.00 0.00 H new ATOM 0 H6 U A 3 -7.106 -3.350 -0.539 1.00 0.00 H new ATOM 97 P U A 4 -9.011 0.802 2.836 1.00 0.00 P ATOM 98 OP1 U A 4 -10.126 1.424 3.584 1.00 0.00 O ATOM 99 OP2 U A 4 -8.744 1.207 1.438 1.00 0.00 O ATOM 100 O5' U A 4 -7.659 1.002 3.686 1.00 0.00 O ATOM 101 C5' U A 4 -7.717 1.145 5.107 1.00 0.00 C ATOM 102 C4' U A 4 -6.329 1.311 5.718 1.00 0.00 C ATOM 103 O4' U A 4 -5.437 0.279 5.294 1.00 0.00 O ATOM 104 C3' U A 4 -5.675 2.602 5.262 1.00 0.00 C ATOM 105 O3' U A 4 -6.051 3.648 6.162 1.00 0.00 O ATOM 106 C2' U A 4 -4.199 2.310 5.451 1.00 0.00 C ATOM 107 O2' U A 4 -3.776 2.595 6.789 1.00 0.00 O ATOM 108 C1' U A 4 -4.111 0.815 5.143 1.00 0.00 C ATOM 109 N1 U A 4 -3.599 0.595 3.776 1.00 0.00 N ATOM 110 C2 U A 4 -2.230 0.621 3.600 1.00 0.00 C ATOM 111 O2 U A 4 -1.454 0.814 4.534 1.00 0.00 O ATOM 112 N3 U A 4 -1.780 0.418 2.309 1.00 0.00 N ATOM 113 C4 U A 4 -2.569 0.195 1.193 1.00 0.00 C ATOM 114 O4 U A 4 -2.058 0.026 0.087 1.00 0.00 O ATOM 115 C5 U A 4 -3.987 0.183 1.470 1.00 0.00 C ATOM 116 C6 U A 4 -4.451 0.380 2.728 1.00 0.00 C ATOM 0 H5' U A 4 -8.203 0.271 5.541 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.331 2.009 5.360 1.00 0.00 H new ATOM 0 H4' U A 4 -6.486 1.290 6.796 1.00 0.00 H new ATOM 0 H3' U A 4 -5.943 2.902 4.249 1.00 0.00 H new ATOM 0 H2' U A 4 -3.554 2.920 4.818 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.462 3.127 7.243 1.00 0.00 H new ATOM 0 H1' U A 4 -3.419 0.316 5.821 1.00 0.00 H new ATOM 0 H3 U A 4 -0.770 0.434 2.164 1.00 0.00 H new ATOM 0 H5 U A 4 -4.686 0.015 0.664 1.00 0.00 H new ATOM 0 H6 U A 4 -5.516 0.367 2.907 1.00 0.00 H new ATOM 127 P C A 5 -6.162 5.168 5.640 1.00 0.00 P ATOM 128 OP1 C A 5 -6.730 5.990 6.732 1.00 0.00 O ATOM 129 OP2 C A 5 -6.811 5.156 4.310 1.00 0.00 O ATOM 130 O5' C A 5 -4.620 5.585 5.445 1.00 0.00 O ATOM 131 C5' C A 5 -3.820 5.938 6.576 1.00 0.00 C ATOM 132 C4' C A 5 -2.352 6.118 6.199 1.00 0.00 C ATOM 133 O4' C A 5 -1.844 4.987 5.498 1.00 0.00 O ATOM 134 C3' C A 5 -2.165 7.277 5.241 1.00 0.00 C ATOM 135 O3' C A 5 -1.986 8.475 6.002 1.00 0.00 O ATOM 136 C2' C A 5 -0.848 6.944 4.558 1.00 0.00 C ATOM 137 O2' C A 5 0.264 7.504 5.265 1.00 0.00 O ATOM 138 C1' C A 5 -0.813 5.413 4.589 1.00 0.00 C ATOM 139 N1 C A 5 -1.032 4.860 3.240 1.00 0.00 N ATOM 140 C2 C A 5 0.075 4.740 2.416 1.00 0.00 C ATOM 141 O2 C A 5 1.182 5.090 2.818 1.00 0.00 O ATOM 142 N3 C A 5 -0.102 4.232 1.167 1.00 0.00 N ATOM 143 C4 C A 5 -1.317 3.856 0.743 1.00 0.00 C ATOM 144 N4 C A 5 -1.455 3.360 -0.487 1.00 0.00 N ATOM 145 C5 C A 5 -2.462 3.980 1.591 1.00 0.00 C ATOM 146 C6 C A 5 -2.275 4.485 2.825 1.00 0.00 C ATOM 0 H5' C A 5 -3.907 5.164 7.338 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.198 6.861 7.015 1.00 0.00 H new ATOM 0 H4' C A 5 -1.833 6.277 7.144 1.00 0.00 H new ATOM 0 H3' C A 5 -2.999 7.418 4.554 1.00 0.00 H new ATOM 0 H2' C A 5 -0.778 7.352 3.550 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.050 8.223 5.852 1.00 0.00 H new ATOM 0 H1' C A 5 0.160 5.053 4.922 1.00 0.00 H new ATOM 0 H41 C A 5 -2.375 3.071 -0.820 1.00 0.00 H new ATOM 0 H42 C A 5 -0.641 3.270 -1.095 1.00 0.00 H new ATOM 0 H5 C A 5 -3.443 3.679 1.253 1.00 0.00 H new ATOM 0 H6 C A 5 -3.117 4.594 3.492 1.00 0.00 H new ATOM 158 P A A 6 -2.291 9.911 5.342 1.00 0.00 P ATOM 159 OP1 A A 6 -1.462 10.925 6.033 1.00 0.00 O ATOM 160 OP2 A A 6 -3.759 10.085 5.269 1.00 0.00 O ATOM 161 O5' A A 6 -1.730 9.738 3.842 1.00 0.00 O ATOM 162 C5' A A 6 -0.923 10.759 3.247 1.00 0.00 C ATOM 163 C4' A A 6 -0.110 10.219 2.073 1.00 0.00 C ATOM 164 O4' A A 6 -0.140 8.793 2.033 1.00 0.00 O ATOM 165 C3' A A 6 -0.693 10.668 0.746 1.00 0.00 C ATOM 166 O3' A A 6 -0.064 11.897 0.370 1.00 0.00 O ATOM 167 C2' A A 6 -0.238 9.583 -0.217 1.00 0.00 C ATOM 168 O2' A A 6 1.034 9.899 -0.794 1.00 0.00 O ATOM 169 C1' A A 6 -0.154 8.339 0.671 1.00 0.00 C ATOM 170 N9 A A 6 -1.297 7.440 0.421 1.00 0.00 N ATOM 171 C8 A A 6 -2.389 7.191 1.185 1.00 0.00 C ATOM 172 N7 A A 6 -3.254 6.346 0.733 1.00 0.00 N ATOM 173 C5 A A 6 -2.677 5.978 -0.487 1.00 0.00 C ATOM 174 C6 A A 6 -3.078 5.096 -1.498 1.00 0.00 C ATOM 175 N6 A A 6 -4.205 4.388 -1.443 1.00 0.00 N ATOM 176 N1 A A 6 -2.270 4.972 -2.565 1.00 0.00 N ATOM 177 C2 A A 6 -1.136 5.671 -2.638 1.00 0.00 C ATOM 178 N3 A A 6 -0.663 6.531 -1.742 1.00 0.00 N ATOM 179 C4 A A 6 -1.487 6.638 -0.683 1.00 0.00 C ATOM 0 H5' A A 6 -0.249 11.174 3.997 1.00 0.00 H new ATOM 0 H5'' A A 6 -1.560 11.574 2.905 1.00 0.00 H new ATOM 0 H4' A A 6 0.902 10.597 2.217 1.00 0.00 H new ATOM 0 H3' A A 6 -1.773 10.813 0.767 1.00 0.00 H new ATOM 0 H2' A A 6 -0.911 9.456 -1.065 1.00 0.00 H new ATOM 0 HO2' A A 6 1.257 10.834 -0.601 1.00 0.00 H new ATOM 0 H1' A A 6 0.748 7.767 0.452 1.00 0.00 H new ATOM 0 H8 A A 6 -2.530 7.682 2.137 1.00 0.00 H new ATOM 0 H61 A A 6 -4.450 3.759 -2.208 1.00 0.00 H new ATOM 0 H62 A A 6 -4.823 4.475 -0.636 1.00 0.00 H new ATOM 0 H2 A A 6 -0.536 5.521 -3.523 1.00 0.00 H new ATOM 191 P G A 7 -0.832 12.957 -0.567 1.00 0.00 P ATOM 192 OP1 G A 7 0.165 13.913 -1.099 1.00 0.00 O ATOM 193 OP2 G A 7 -2.013 13.457 0.172 1.00 0.00 O ATOM 194 O5' G A 7 -1.353 12.043 -1.786 1.00 0.00 O ATOM 195 C5' G A 7 -0.485 11.721 -2.877 1.00 0.00 C ATOM 196 C4' G A 7 -1.134 10.728 -3.836 1.00 0.00 C ATOM 197 O4' G A 7 -1.670 9.608 -3.126 1.00 0.00 O ATOM 198 C3' G A 7 -2.305 11.367 -4.590 1.00 0.00 C ATOM 199 O3' G A 7 -2.255 10.915 -5.947 1.00 0.00 O ATOM 200 C2' G A 7 -3.536 10.760 -3.936 1.00 0.00 C ATOM 201 O2' G A 7 -4.630 10.663 -4.857 1.00 0.00 O ATOM 202 C1' G A 7 -3.019 9.393 -3.533 1.00 0.00 C ATOM 203 N9 G A 7 -3.812 8.793 -2.445 1.00 0.00 N ATOM 204 C8 G A 7 -4.304 7.539 -2.348 1.00 0.00 C ATOM 205 N7 G A 7 -4.959 7.231 -1.279 1.00 0.00 N ATOM 206 C5 G A 7 -4.905 8.428 -0.557 1.00 0.00 C ATOM 207 C6 G A 7 -5.444 8.746 0.718 1.00 0.00 C ATOM 208 O6 G A 7 -6.086 8.022 1.477 1.00 0.00 O ATOM 209 N1 G A 7 -5.164 10.058 1.076 1.00 0.00 N ATOM 210 C2 G A 7 -4.454 10.958 0.308 1.00 0.00 C ATOM 211 N2 G A 7 -4.290 12.175 0.826 1.00 0.00 N ATOM 212 N3 G A 7 -3.943 10.667 -0.893 1.00 0.00 N ATOM 213 C4 G A 7 -4.202 9.393 -1.265 1.00 0.00 C ATOM 0 H5' G A 7 0.444 11.302 -2.492 1.00 0.00 H new ATOM 0 H5'' G A 7 -0.224 12.632 -3.416 1.00 0.00 H new ATOM 0 H4' G A 7 -0.353 10.416 -4.529 1.00 0.00 H new ATOM 0 H3' G A 7 -2.295 12.457 -4.565 1.00 0.00 H new ATOM 0 H2' G A 7 -3.934 11.346 -3.107 1.00 0.00 H new ATOM 0 HO2' G A 7 -4.464 11.249 -5.625 1.00 0.00 H new ATOM 0 H1' G A 7 -3.093 8.688 -4.361 1.00 0.00 H new ATOM 0 H8 G A 7 -4.155 6.818 -3.138 1.00 0.00 H new ATOM 0 H1 G A 7 -5.511 10.382 1.979 1.00 0.00 H new ATOM 0 H21 G A 7 -3.774 12.885 0.306 1.00 0.00 H new ATOM 0 H22 G A 7 -4.681 12.396 1.742 1.00 0.00 H new ATOM 225 P A A 8 -2.600 11.912 -7.162 1.00 0.00 P ATOM 226 OP1 A A 8 -1.809 13.150 -6.985 1.00 0.00 O ATOM 227 OP2 A A 8 -4.072 11.990 -7.295 1.00 0.00 O ATOM 228 O5' A A 8 -2.021 11.119 -8.440 1.00 0.00 O ATOM 229 C5' A A 8 -2.183 9.702 -8.553 1.00 0.00 C ATOM 230 C4' A A 8 -0.999 9.056 -9.270 1.00 0.00 C ATOM 231 O4' A A 8 0.172 9.889 -9.196 1.00 0.00 O ATOM 232 C3' A A 8 -0.604 7.734 -8.607 1.00 0.00 C ATOM 233 O3' A A 8 -0.087 6.864 -9.616 1.00 0.00 O ATOM 234 C2' A A 8 0.549 8.131 -7.717 1.00 0.00 C ATOM 235 O2' A A 8 1.394 7.019 -7.411 1.00 0.00 O ATOM 236 C1' A A 8 1.239 9.133 -8.609 1.00 0.00 C ATOM 237 N9 A A 8 2.168 9.980 -7.846 1.00 0.00 N ATOM 238 C8 A A 8 1.985 10.641 -6.680 1.00 0.00 C ATOM 239 N7 A A 8 2.992 11.300 -6.206 1.00 0.00 N ATOM 240 C5 A A 8 3.972 11.049 -7.175 1.00 0.00 C ATOM 241 C6 A A 8 5.309 11.450 -7.306 1.00 0.00 C ATOM 242 N6 A A 8 5.929 12.226 -6.417 1.00 0.00 N ATOM 243 N1 A A 8 5.981 11.018 -8.389 1.00 0.00 N ATOM 244 C2 A A 8 5.381 10.238 -9.291 1.00 0.00 C ATOM 245 N3 A A 8 4.128 9.803 -9.265 1.00 0.00 N ATOM 246 C4 A A 8 3.475 10.248 -8.174 1.00 0.00 C ATOM 0 H5' A A 8 -3.102 9.482 -9.096 1.00 0.00 H new ATOM 0 H5'' A A 8 -2.289 9.267 -7.559 1.00 0.00 H new ATOM 0 H4' A A 8 -1.320 8.907 -10.301 1.00 0.00 H new ATOM 0 H3' A A 8 -1.426 7.243 -8.086 1.00 0.00 H new ATOM 0 H2' A A 8 0.261 8.512 -6.738 1.00 0.00 H new ATOM 0 HO2' A A 8 1.764 7.128 -6.510 1.00 0.00 H new ATOM 0 H1' A A 8 1.858 8.656 -9.369 1.00 0.00 H new ATOM 0 H8 A A 8 1.036 10.619 -6.165 1.00 0.00 H new ATOM 0 H61 A A 8 6.904 12.488 -6.561 1.00 0.00 H new ATOM 0 H62 A A 8 5.428 12.558 -5.593 1.00 0.00 H new ATOM 0 H2 A A 8 5.981 9.927 -10.134 1.00 0.00 H new ATOM 258 P A A 9 -0.254 5.270 -9.492 1.00 0.00 P ATOM 259 OP1 A A 9 -0.088 4.681 -10.839 1.00 0.00 O ATOM 260 OP2 A A 9 -1.477 4.989 -8.707 1.00 0.00 O ATOM 261 O5' A A 9 1.026 4.867 -8.594 1.00 0.00 O ATOM 262 C5' A A 9 2.143 4.179 -9.169 1.00 0.00 C ATOM 263 C4' A A 9 3.415 5.043 -9.161 1.00 0.00 C ATOM 264 O4' A A 9 3.155 6.295 -8.518 1.00 0.00 O ATOM 265 C3' A A 9 4.560 4.373 -8.388 1.00 0.00 C ATOM 266 O3' A A 9 5.599 4.052 -9.312 1.00 0.00 O ATOM 267 C2' A A 9 5.118 5.456 -7.473 1.00 0.00 C ATOM 268 O2' A A 9 6.304 6.037 -8.023 1.00 0.00 O ATOM 269 C1' A A 9 3.998 6.479 -7.377 1.00 0.00 C ATOM 270 N9 A A 9 3.252 6.316 -6.118 1.00 0.00 N ATOM 271 C8 A A 9 2.285 5.424 -5.789 1.00 0.00 C ATOM 272 N7 A A 9 1.805 5.480 -4.592 1.00 0.00 N ATOM 273 C5 A A 9 2.536 6.540 -4.045 1.00 0.00 C ATOM 274 C6 A A 9 2.529 7.143 -2.784 1.00 0.00 C ATOM 275 N6 A A 9 1.732 6.748 -1.794 1.00 0.00 N ATOM 276 N1 A A 9 3.378 8.165 -2.581 1.00 0.00 N ATOM 277 C2 A A 9 4.186 8.575 -3.559 1.00 0.00 C ATOM 278 N3 A A 9 4.276 8.077 -4.789 1.00 0.00 N ATOM 279 C4 A A 9 3.417 7.054 -4.967 1.00 0.00 C ATOM 0 H5' A A 9 1.905 3.893 -10.194 1.00 0.00 H new ATOM 0 H5'' A A 9 2.326 3.258 -8.615 1.00 0.00 H new ATOM 0 H4' A A 9 3.704 5.179 -10.203 1.00 0.00 H new ATOM 0 H3' A A 9 4.223 3.483 -7.857 1.00 0.00 H new ATOM 0 H2' A A 9 5.408 5.066 -6.497 1.00 0.00 H new ATOM 0 HO2' A A 9 6.492 5.633 -8.896 1.00 0.00 H new ATOM 0 H1' A A 9 4.397 7.493 -7.371 1.00 0.00 H new ATOM 0 H8 A A 9 1.930 4.694 -6.502 1.00 0.00 H new ATOM 0 H61 A A 9 1.766 7.222 -0.892 1.00 0.00 H new ATOM 0 H62 A A 9 1.087 5.971 -1.938 1.00 0.00 H new ATOM 0 H2 A A 9 4.840 9.403 -3.327 1.00 0.00 H new ATOM 291 P G A 10 6.683 2.915 -8.950 1.00 0.00 P ATOM 292 OP1 G A 10 7.972 3.291 -9.574 1.00 0.00 O ATOM 293 OP2 G A 10 6.082 1.594 -9.240 1.00 0.00 O ATOM 294 O5' G A 10 6.836 3.059 -7.350 1.00 0.00 O ATOM 295 C5' G A 10 8.124 3.291 -6.767 1.00 0.00 C ATOM 296 C4' G A 10 8.032 3.630 -5.278 1.00 0.00 C ATOM 297 O4' G A 10 6.921 4.487 -4.997 1.00 0.00 O ATOM 298 C3' G A 10 7.789 2.394 -4.430 1.00 0.00 C ATOM 299 O3' G A 10 9.048 1.811 -4.081 1.00 0.00 O ATOM 300 C2' G A 10 7.177 2.981 -3.173 1.00 0.00 C ATOM 301 O2' G A 10 8.185 3.427 -2.259 1.00 0.00 O ATOM 302 C1' G A 10 6.357 4.145 -3.716 1.00 0.00 C ATOM 303 N9 G A 10 4.936 3.762 -3.836 1.00 0.00 N ATOM 304 C8 G A 10 4.273 3.212 -4.881 1.00 0.00 C ATOM 305 N7 G A 10 3.015 2.965 -4.731 1.00 0.00 N ATOM 306 C5 G A 10 2.795 3.402 -3.420 1.00 0.00 C ATOM 307 C6 G A 10 1.602 3.402 -2.648 1.00 0.00 C ATOM 308 O6 G A 10 0.481 3.013 -2.973 1.00 0.00 O ATOM 309 N1 G A 10 1.816 3.927 -1.380 1.00 0.00 N ATOM 310 C2 G A 10 3.025 4.396 -0.906 1.00 0.00 C ATOM 311 N2 G A 10 3.031 4.862 0.343 1.00 0.00 N ATOM 312 N3 G A 10 4.151 4.398 -1.626 1.00 0.00 N ATOM 313 C4 G A 10 3.968 3.891 -2.865 1.00 0.00 C ATOM 0 H5' G A 10 8.618 4.108 -7.294 1.00 0.00 H new ATOM 0 H5'' G A 10 8.745 2.405 -6.898 1.00 0.00 H new ATOM 0 H4' G A 10 8.984 4.104 -5.041 1.00 0.00 H new ATOM 0 H3' G A 10 7.180 1.635 -4.922 1.00 0.00 H new ATOM 0 H2' G A 10 6.584 2.265 -2.604 1.00 0.00 H new ATOM 0 HO2' G A 10 9.057 3.075 -2.536 1.00 0.00 H new ATOM 0 H1' G A 10 6.393 5.003 -3.045 1.00 0.00 H new ATOM 0 H8 G A 10 4.780 2.988 -5.808 1.00 0.00 H new ATOM 0 H1 G A 10 1.016 3.969 -0.749 1.00 0.00 H new ATOM 0 H21 G A 10 3.895 5.222 0.749 1.00 0.00 H new ATOM 0 H22 G A 10 2.172 4.858 0.893 1.00 0.00 H new ATOM 325 P A A 11 9.164 0.227 -3.801 1.00 0.00 P ATOM 326 OP1 A A 11 10.598 -0.115 -3.669 1.00 0.00 O ATOM 327 OP2 A A 11 8.327 -0.480 -4.794 1.00 0.00 O ATOM 328 O5' A A 11 8.474 0.062 -2.352 1.00 0.00 O ATOM 329 C5' A A 11 9.263 0.159 -1.163 1.00 0.00 C ATOM 330 C4' A A 11 8.399 0.363 0.080 1.00 0.00 C ATOM 331 O4' A A 11 7.306 1.242 -0.179 1.00 0.00 O ATOM 332 C3' A A 11 7.740 -0.928 0.527 1.00 0.00 C ATOM 333 O3' A A 11 8.632 -1.641 1.391 1.00 0.00 O ATOM 334 C2' A A 11 6.577 -0.427 1.363 1.00 0.00 C ATOM 335 O2' A A 11 6.967 -0.218 2.724 1.00 0.00 O ATOM 336 C1' A A 11 6.205 0.889 0.678 1.00 0.00 C ATOM 337 N9 A A 11 4.950 0.729 -0.082 1.00 0.00 N ATOM 338 C8 A A 11 4.748 0.507 -1.405 1.00 0.00 C ATOM 339 N7 A A 11 3.529 0.376 -1.809 1.00 0.00 N ATOM 340 C5 A A 11 2.820 0.527 -0.613 1.00 0.00 C ATOM 341 C6 A A 11 1.456 0.500 -0.310 1.00 0.00 C ATOM 342 N6 A A 11 0.509 0.303 -1.227 1.00 0.00 N ATOM 343 N1 A A 11 1.105 0.684 0.974 1.00 0.00 N ATOM 344 C2 A A 11 2.035 0.883 1.908 1.00 0.00 C ATOM 345 N3 A A 11 3.350 0.929 1.734 1.00 0.00 N ATOM 346 C4 A A 11 3.679 0.742 0.440 1.00 0.00 C ATOM 0 H5' A A 11 9.963 0.989 -1.259 1.00 0.00 H new ATOM 0 H5'' A A 11 9.857 -0.747 -1.047 1.00 0.00 H new ATOM 0 H4' A A 11 9.081 0.759 0.833 1.00 0.00 H new ATOM 0 H3' A A 11 7.461 -1.584 -0.298 1.00 0.00 H new ATOM 0 H2' A A 11 5.747 -1.132 1.413 1.00 0.00 H new ATOM 0 HO2' A A 11 7.803 -0.698 2.902 1.00 0.00 H new ATOM 0 H1' A A 11 6.032 1.683 1.405 1.00 0.00 H new ATOM 0 H8 A A 11 5.576 0.442 -2.095 1.00 0.00 H new ATOM 0 H61 A A 11 -0.473 0.293 -0.952 1.00 0.00 H new ATOM 0 H62 A A 11 0.766 0.163 -2.204 1.00 0.00 H new ATOM 0 H2 A A 11 1.679 1.022 2.918 1.00 0.00 H new ATOM 358 P A A 12 8.540 -3.248 1.501 1.00 0.00 P ATOM 359 OP1 A A 12 9.777 -3.736 2.149 1.00 0.00 O ATOM 360 OP2 A A 12 8.145 -3.777 0.177 1.00 0.00 O ATOM 361 O5' A A 12 7.315 -3.481 2.524 1.00 0.00 O ATOM 362 C5' A A 12 7.556 -3.572 3.933 1.00 0.00 C ATOM 363 C4' A A 12 6.259 -3.663 4.737 1.00 0.00 C ATOM 364 O4' A A 12 5.305 -2.686 4.315 1.00 0.00 O ATOM 365 C3' A A 12 5.564 -4.998 4.533 1.00 0.00 C ATOM 366 O3' A A 12 6.064 -5.936 5.492 1.00 0.00 O ATOM 367 C2' A A 12 4.125 -4.675 4.888 1.00 0.00 C ATOM 368 O2' A A 12 3.899 -4.773 6.298 1.00 0.00 O ATOM 369 C1' A A 12 3.977 -3.236 4.396 1.00 0.00 C ATOM 370 N9 A A 12 3.304 -3.201 3.083 1.00 0.00 N ATOM 371 C8 A A 12 3.836 -3.123 1.839 1.00 0.00 C ATOM 372 N7 A A 12 3.019 -3.106 0.839 1.00 0.00 N ATOM 373 C5 A A 12 1.782 -3.181 1.486 1.00 0.00 C ATOM 374 C6 A A 12 0.466 -3.207 1.012 1.00 0.00 C ATOM 375 N6 A A 12 0.158 -3.155 -0.284 1.00 0.00 N ATOM 376 N1 A A 12 -0.519 -3.286 1.924 1.00 0.00 N ATOM 377 C2 A A 12 -0.230 -3.336 3.226 1.00 0.00 C ATOM 378 N3 A A 12 0.977 -3.318 3.783 1.00 0.00 N ATOM 379 C4 A A 12 1.947 -3.239 2.851 1.00 0.00 C ATOM 0 H5' A A 12 8.123 -2.700 4.260 1.00 0.00 H new ATOM 0 H5'' A A 12 8.171 -4.448 4.139 1.00 0.00 H new ATOM 0 H4' A A 12 6.559 -3.516 5.774 1.00 0.00 H new ATOM 0 H3' A A 12 5.700 -5.417 3.536 1.00 0.00 H new ATOM 0 H2' A A 12 3.404 -5.361 4.442 1.00 0.00 H new ATOM 0 HO2' A A 12 4.585 -5.346 6.700 1.00 0.00 H new ATOM 0 H1' A A 12 3.361 -2.650 5.078 1.00 0.00 H new ATOM 0 H8 A A 12 4.905 -3.077 1.689 1.00 0.00 H new ATOM 0 H61 A A 12 -0.819 -3.177 -0.577 1.00 0.00 H new ATOM 0 H62 A A 12 0.899 -3.093 -0.982 1.00 0.00 H new ATOM 0 H2 A A 12 -1.070 -3.398 3.902 1.00 0.00 H new ATOM 391 P C A 13 6.064 -7.515 5.163 1.00 0.00 P ATOM 392 OP1 C A 13 6.727 -8.220 6.283 1.00 0.00 O ATOM 393 OP2 C A 13 6.559 -7.700 3.781 1.00 0.00 O ATOM 394 O5' C A 13 4.495 -7.887 5.191 1.00 0.00 O ATOM 395 C5' C A 13 3.871 -8.311 6.407 1.00 0.00 C ATOM 396 C4' C A 13 2.356 -8.424 6.259 1.00 0.00 C ATOM 397 O4' C A 13 1.807 -7.288 5.590 1.00 0.00 O ATOM 398 C3' C A 13 1.967 -9.613 5.399 1.00 0.00 C ATOM 399 O3' C A 13 1.814 -10.759 6.240 1.00 0.00 O ATOM 400 C2' C A 13 0.596 -9.216 4.880 1.00 0.00 C ATOM 401 O2' C A 13 -0.439 -9.593 5.794 1.00 0.00 O ATOM 402 C1' C A 13 0.707 -7.698 4.759 1.00 0.00 C ATOM 403 N1 C A 13 0.923 -7.307 3.355 1.00 0.00 N ATOM 404 C2 C A 13 -0.201 -7.128 2.566 1.00 0.00 C ATOM 405 O2 C A 13 -1.320 -7.292 3.043 1.00 0.00 O ATOM 406 N3 C A 13 -0.024 -6.774 1.265 1.00 0.00 N ATOM 407 C4 C A 13 1.201 -6.601 0.758 1.00 0.00 C ATOM 408 N4 C A 13 1.333 -6.254 -0.521 1.00 0.00 N ATOM 409 C5 C A 13 2.366 -6.784 1.569 1.00 0.00 C ATOM 410 C6 C A 13 2.181 -7.135 2.856 1.00 0.00 C ATOM 0 H5' C A 13 4.106 -7.603 7.202 1.00 0.00 H new ATOM 0 H5'' C A 13 4.280 -9.276 6.708 1.00 0.00 H new ATOM 0 H4' C A 13 1.975 -8.518 7.276 1.00 0.00 H new ATOM 0 H3' C A 13 2.691 -9.846 4.618 1.00 0.00 H new ATOM 0 H2' C A 13 0.333 -9.705 3.942 1.00 0.00 H new ATOM 0 HO2' C A 13 -0.079 -10.219 6.456 1.00 0.00 H new ATOM 0 H1' C A 13 -0.213 -7.211 5.084 1.00 0.00 H new ATOM 0 H41 C A 13 2.262 -6.119 -0.920 1.00 0.00 H new ATOM 0 H42 C A 13 0.505 -6.123 -1.102 1.00 0.00 H new ATOM 0 H5 C A 13 3.357 -6.646 1.164 1.00 0.00 H new ATOM 0 H6 C A 13 3.036 -7.282 3.499 1.00 0.00 H new ATOM 422 P C A 14 1.916 -12.243 5.619 1.00 0.00 P ATOM 423 OP1 C A 14 1.744 -13.218 6.719 1.00 0.00 O ATOM 424 OP2 C A 14 3.120 -12.302 4.761 1.00 0.00 O ATOM 425 O5' C A 14 0.617 -12.322 4.670 1.00 0.00 O ATOM 426 C5' C A 14 -0.630 -12.799 5.184 1.00 0.00 C ATOM 427 C4' C A 14 -1.746 -12.687 4.149 1.00 0.00 C ATOM 428 O4' C A 14 -1.669 -11.463 3.429 1.00 0.00 O ATOM 429 C3' C A 14 -1.633 -13.774 3.098 1.00 0.00 C ATOM 430 O3' C A 14 -2.250 -14.991 3.532 1.00 0.00 O ATOM 431 C2' C A 14 -2.372 -13.164 1.914 1.00 0.00 C ATOM 432 O2' C A 14 -3.757 -13.526 1.924 1.00 0.00 O ATOM 433 C1' C A 14 -2.190 -11.656 2.108 1.00 0.00 C ATOM 434 N1 C A 14 -1.275 -11.100 1.094 1.00 0.00 N ATOM 435 C2 C A 14 -1.817 -10.765 -0.136 1.00 0.00 C ATOM 436 O2 C A 14 -3.015 -10.937 -0.347 1.00 0.00 O ATOM 437 N3 C A 14 -0.992 -10.247 -1.085 1.00 0.00 N ATOM 438 C4 C A 14 0.312 -10.065 -0.840 1.00 0.00 C ATOM 439 N4 C A 14 1.090 -9.555 -1.794 1.00 0.00 N ATOM 440 C5 C A 14 0.876 -10.410 0.428 1.00 0.00 C ATOM 441 C6 C A 14 0.051 -10.922 1.361 1.00 0.00 C ATOM 0 H5' C A 14 -0.899 -12.229 6.073 1.00 0.00 H new ATOM 0 H5'' C A 14 -0.523 -13.839 5.493 1.00 0.00 H new ATOM 0 H4' C A 14 -2.676 -12.763 4.713 1.00 0.00 H new ATOM 0 H3' C A 14 -0.604 -14.052 2.871 1.00 0.00 H new ATOM 0 H2' C A 14 -1.989 -13.513 0.955 1.00 0.00 H new ATOM 0 HO2' C A 14 -3.906 -14.230 2.589 1.00 0.00 H new ATOM 0 HO3' C A 14 -2.161 -15.671 2.832 1.00 0.00 H new ATOM 0 H1' C A 14 -3.141 -11.136 1.990 1.00 0.00 H new ATOM 0 H41 C A 14 2.085 -9.412 -1.619 1.00 0.00 H new ATOM 0 H42 C A 14 0.691 -9.308 -2.700 1.00 0.00 H new ATOM 0 H5 C A 14 1.927 -10.265 0.630 1.00 0.00 H new ATOM 0 H6 C A 14 0.443 -11.194 2.330 1.00 0.00 H new TER 454 C A 14