USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 180:sc= -0.24 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.361 USER MOD Single : A 3 A O2' : rot -31:sc= 0.153 USER MOD Single : A 4 U O2' : rot 180:sc= -0.281 USER MOD Single : A 5 G O2' : rot -11:sc= 0.0746 USER MOD Single : A 6 U O2' : rot -13:sc= -0.583 USER MOD Single : A 7 C O2' : rot -72:sc= 0.188 USER MOD Single : A 8 C O2' : rot -19:sc= 0.168 USER MOD Single : A 8 C O3' : rot 180:sc= 0.222 USER MOD Single : B 9 G O2' : rot 180:sc= -0.271 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot 180:sc= -0.372 USER MOD Single : B 11 A O2' : rot -24:sc= 0.154 USER MOD Single : B 12 U O2' : rot 180:sc= -0.234 USER MOD Single : B 13 G O2' : rot -10:sc= 0.138 USER MOD Single : B 14 U O2' : rot -17:sc= -0.419 USER MOD Single : B 15 C O2' : rot -11:sc= -0.193 USER MOD Single : B 16 C O2' : rot -28:sc= 0.207 USER MOD Single : B 16 C O3' : rot 180:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.159 -8.205 5.895 1.00 0.00 O ATOM 2 C5' G A 1 6.518 -8.580 5.948 1.00 0.00 C ATOM 3 C4' G A 1 7.397 -7.441 5.425 1.00 0.00 C ATOM 4 O4' G A 1 7.096 -7.130 4.067 1.00 0.00 O ATOM 5 C3' G A 1 7.187 -6.144 6.178 1.00 0.00 C ATOM 6 O3' G A 1 7.803 -6.146 7.453 1.00 0.00 O ATOM 7 C2' G A 1 7.853 -5.189 5.216 1.00 0.00 C ATOM 8 O2' G A 1 9.255 -5.327 5.299 1.00 0.00 O ATOM 9 C1' G A 1 7.385 -5.736 3.866 1.00 0.00 C ATOM 10 N9 G A 1 6.159 -5.022 3.446 1.00 0.00 N ATOM 11 C8 G A 1 4.859 -5.457 3.457 1.00 0.00 C ATOM 12 N7 G A 1 3.999 -4.571 3.037 1.00 0.00 N ATOM 13 C5 G A 1 4.784 -3.466 2.725 1.00 0.00 C ATOM 14 C6 G A 1 4.404 -2.186 2.221 1.00 0.00 C ATOM 15 O6 G A 1 3.277 -1.778 1.952 1.00 0.00 O ATOM 16 N1 G A 1 5.506 -1.359 2.040 1.00 0.00 N ATOM 17 C2 G A 1 6.812 -1.711 2.311 1.00 0.00 C ATOM 18 N2 G A 1 7.745 -0.781 2.080 1.00 0.00 N ATOM 19 N3 G A 1 7.172 -2.908 2.786 1.00 0.00 N ATOM 20 C4 G A 1 6.109 -3.734 2.969 1.00 0.00 C ATOM 0 H5' G A 1 6.679 -9.478 5.352 1.00 0.00 H new ATOM 0 H5'' G A 1 6.797 -8.824 6.973 1.00 0.00 H new ATOM 0 H4' G A 1 8.416 -7.806 5.551 1.00 0.00 H new ATOM 0 H3' G A 1 6.149 -5.913 6.417 1.00 0.00 H new ATOM 0 H2' G A 1 7.615 -4.141 5.396 1.00 0.00 H new ATOM 0 HO2' G A 1 9.682 -4.706 4.672 1.00 0.00 H new ATOM 0 HO5' G A 1 4.604 -8.940 6.230 1.00 0.00 H new ATOM 0 H1' G A 1 8.142 -5.601 3.094 1.00 0.00 H new ATOM 0 H8 G A 1 4.572 -6.446 3.784 1.00 0.00 H new ATOM 0 H1 G A 1 5.336 -0.420 1.679 1.00 0.00 H new ATOM 0 H21 G A 1 8.727 -0.987 2.263 1.00 0.00 H new ATOM 0 H22 G A 1 7.474 0.135 1.721 1.00 0.00 H new ATOM 33 P G A 2 7.464 -4.995 8.540 1.00 0.00 P ATOM 34 OP1 G A 2 8.217 -5.297 9.777 1.00 0.00 O ATOM 35 OP2 G A 2 5.993 -4.844 8.596 1.00 0.00 O ATOM 36 O5' G A 2 8.079 -3.652 7.895 1.00 0.00 O ATOM 37 C5' G A 2 9.473 -3.436 7.866 1.00 0.00 C ATOM 38 C4' G A 2 9.774 -2.095 7.191 1.00 0.00 C ATOM 39 O4' G A 2 9.253 -2.056 5.859 1.00 0.00 O ATOM 40 C3' G A 2 9.132 -0.917 7.901 1.00 0.00 C ATOM 41 O3' G A 2 9.834 -0.526 9.066 1.00 0.00 O ATOM 42 C2' G A 2 9.224 0.119 6.804 1.00 0.00 C ATOM 43 O2' G A 2 10.558 0.561 6.656 1.00 0.00 O ATOM 44 C1' G A 2 8.837 -0.706 5.583 1.00 0.00 C ATOM 45 N9 G A 2 7.366 -0.651 5.412 1.00 0.00 N ATOM 46 C8 G A 2 6.422 -1.592 5.736 1.00 0.00 C ATOM 47 N7 G A 2 5.198 -1.230 5.470 1.00 0.00 N ATOM 48 C5 G A 2 5.335 0.047 4.940 1.00 0.00 C ATOM 49 C6 G A 2 4.338 0.955 4.476 1.00 0.00 C ATOM 50 O6 G A 2 3.122 0.791 4.429 1.00 0.00 O ATOM 51 N1 G A 2 4.897 2.150 4.040 1.00 0.00 N ATOM 52 C2 G A 2 6.245 2.439 4.040 1.00 0.00 C ATOM 53 N2 G A 2 6.601 3.646 3.587 1.00 0.00 N ATOM 54 N3 G A 2 7.184 1.588 4.468 1.00 0.00 N ATOM 55 C4 G A 2 6.658 0.415 4.905 1.00 0.00 C ATOM 0 H5' G A 2 9.965 -4.245 7.325 1.00 0.00 H new ATOM 0 H5'' G A 2 9.873 -3.441 8.880 1.00 0.00 H new ATOM 0 H4' G A 2 10.861 -2.015 7.216 1.00 0.00 H new ATOM 0 H3' G A 2 8.128 -1.107 8.280 1.00 0.00 H new ATOM 0 H2' G A 2 8.614 1.005 6.979 1.00 0.00 H new ATOM 0 HO2' G A 2 10.604 1.230 5.942 1.00 0.00 H new ATOM 0 H1' G A 2 9.304 -0.333 4.671 1.00 0.00 H new ATOM 0 H8 G A 2 6.671 -2.548 6.173 1.00 0.00 H new ATOM 0 H1 G A 2 4.261 2.868 3.693 1.00 0.00 H new ATOM 0 H21 G A 2 7.585 3.912 3.565 1.00 0.00 H new ATOM 0 H22 G A 2 5.888 4.300 3.264 1.00 0.00 H new ATOM 67 P A A 3 9.138 0.429 10.178 1.00 0.00 P ATOM 68 OP1 A A 3 10.130 0.686 11.245 1.00 0.00 O ATOM 69 OP2 A A 3 7.826 -0.160 10.524 1.00 0.00 O ATOM 70 O5' A A 3 8.868 1.818 9.399 1.00 0.00 O ATOM 71 C5' A A 3 9.937 2.669 9.048 1.00 0.00 C ATOM 72 C4' A A 3 9.404 3.887 8.288 1.00 0.00 C ATOM 73 O4' A A 3 8.661 3.493 7.132 1.00 0.00 O ATOM 74 C3' A A 3 8.448 4.743 9.094 1.00 0.00 C ATOM 75 O3' A A 3 9.120 5.602 9.994 1.00 0.00 O ATOM 76 C2' A A 3 7.769 5.520 8.003 1.00 0.00 C ATOM 77 O2' A A 3 8.631 6.538 7.539 1.00 0.00 O ATOM 78 C1' A A 3 7.615 4.458 6.919 1.00 0.00 C ATOM 79 N9 A A 3 6.290 3.804 7.039 1.00 0.00 N ATOM 80 C8 A A 3 5.985 2.528 7.443 1.00 0.00 C ATOM 81 N7 A A 3 4.714 2.241 7.381 1.00 0.00 N ATOM 82 C5 A A 3 4.131 3.415 6.920 1.00 0.00 C ATOM 83 C6 A A 3 2.798 3.771 6.646 1.00 0.00 C ATOM 84 N6 A A 3 1.769 2.927 6.790 1.00 0.00 N ATOM 85 N1 A A 3 2.561 5.029 6.232 1.00 0.00 N ATOM 86 C2 A A 3 3.585 5.866 6.090 1.00 0.00 C ATOM 87 N3 A A 3 4.877 5.648 6.299 1.00 0.00 N ATOM 88 C4 A A 3 5.081 4.379 6.722 1.00 0.00 C ATOM 0 H5' A A 3 10.655 2.130 8.431 1.00 0.00 H new ATOM 0 H5'' A A 3 10.466 2.992 9.945 1.00 0.00 H new ATOM 0 H4' A A 3 10.302 4.453 8.042 1.00 0.00 H new ATOM 0 H3' A A 3 7.777 4.168 9.732 1.00 0.00 H new ATOM 0 H2' A A 3 6.837 5.998 8.306 1.00 0.00 H new ATOM 0 HO2' A A 3 9.203 6.843 8.274 1.00 0.00 H new ATOM 0 H1' A A 3 7.685 4.898 5.924 1.00 0.00 H new ATOM 0 H8 A A 3 6.731 1.824 7.782 1.00 0.00 H new ATOM 0 H61 A A 3 0.821 3.238 6.577 1.00 0.00 H new ATOM 0 H62 A A 3 1.933 1.973 7.113 1.00 0.00 H new ATOM 0 H2 A A 3 3.329 6.862 5.758 1.00 0.00 H new ATOM 100 P U A 4 8.743 5.612 11.554 1.00 0.00 P ATOM 101 OP1 U A 4 9.722 6.459 12.271 1.00 0.00 O ATOM 102 OP2 U A 4 8.504 4.219 11.991 1.00 0.00 O ATOM 103 O5' U A 4 7.335 6.387 11.507 1.00 0.00 O ATOM 104 C5' U A 4 7.290 7.765 11.194 1.00 0.00 C ATOM 105 C4' U A 4 5.849 8.192 10.916 1.00 0.00 C ATOM 106 O4' U A 4 5.327 7.506 9.780 1.00 0.00 O ATOM 107 C3' U A 4 4.903 7.864 12.051 1.00 0.00 C ATOM 108 O3' U A 4 5.006 8.789 13.119 1.00 0.00 O ATOM 109 C2' U A 4 3.581 7.967 11.329 1.00 0.00 C ATOM 110 O2' U A 4 3.244 9.325 11.146 1.00 0.00 O ATOM 111 C1' U A 4 3.912 7.363 9.962 1.00 0.00 C ATOM 112 N1 U A 4 3.528 5.931 9.931 1.00 0.00 N ATOM 113 C2 U A 4 2.193 5.645 9.697 1.00 0.00 C ATOM 114 O2 U A 4 1.363 6.532 9.514 1.00 0.00 O ATOM 115 N3 U A 4 1.843 4.304 9.677 1.00 0.00 N ATOM 116 C4 U A 4 2.706 3.238 9.880 1.00 0.00 C ATOM 117 O4 U A 4 2.288 2.083 9.853 1.00 0.00 O ATOM 118 C5 U A 4 4.083 3.626 10.105 1.00 0.00 C ATOM 119 C6 U A 4 4.447 4.930 10.121 1.00 0.00 C ATOM 0 H5' U A 4 7.913 7.969 10.323 1.00 0.00 H new ATOM 0 H5'' U A 4 7.697 8.347 12.020 1.00 0.00 H new ATOM 0 H4' U A 4 5.902 9.270 10.767 1.00 0.00 H new ATOM 0 H3' U A 4 5.085 6.905 12.536 1.00 0.00 H new ATOM 0 H2' U A 4 2.757 7.485 11.855 1.00 0.00 H new ATOM 0 HO2' U A 4 2.386 9.389 10.676 1.00 0.00 H new ATOM 0 H1' U A 4 3.365 7.867 9.165 1.00 0.00 H new ATOM 0 H3 U A 4 0.864 4.082 9.497 1.00 0.00 H new ATOM 0 H5 U A 4 4.831 2.863 10.262 1.00 0.00 H new ATOM 0 H6 U A 4 5.483 5.188 10.287 1.00 0.00 H new ATOM 130 P G A 5 4.220 8.540 14.506 1.00 0.00 P ATOM 131 OP1 G A 5 4.619 9.600 15.458 1.00 0.00 O ATOM 132 OP2 G A 5 4.388 7.118 14.877 1.00 0.00 O ATOM 133 O5' G A 5 2.675 8.776 14.113 1.00 0.00 O ATOM 134 C5' G A 5 2.166 10.081 13.910 1.00 0.00 C ATOM 135 C4' G A 5 0.684 9.992 13.541 1.00 0.00 C ATOM 136 O4' G A 5 0.490 9.221 12.360 1.00 0.00 O ATOM 137 C3' G A 5 -0.122 9.277 14.605 1.00 0.00 C ATOM 138 O3' G A 5 -0.421 10.113 15.711 1.00 0.00 O ATOM 139 C2' G A 5 -1.360 8.919 13.822 1.00 0.00 C ATOM 140 O2' G A 5 -2.244 10.020 13.790 1.00 0.00 O ATOM 141 C1' G A 5 -0.830 8.668 12.417 1.00 0.00 C ATOM 142 N9 G A 5 -0.805 7.216 12.164 1.00 0.00 N ATOM 143 C8 G A 5 0.237 6.342 12.281 1.00 0.00 C ATOM 144 N7 G A 5 -0.073 5.104 12.009 1.00 0.00 N ATOM 145 C5 G A 5 -1.429 5.161 11.697 1.00 0.00 C ATOM 146 C6 G A 5 -2.336 4.122 11.326 1.00 0.00 C ATOM 147 O6 G A 5 -2.112 2.923 11.172 1.00 0.00 O ATOM 148 N1 G A 5 -3.617 4.613 11.134 1.00 0.00 N ATOM 149 C2 G A 5 -3.993 5.929 11.261 1.00 0.00 C ATOM 150 N2 G A 5 -5.279 6.209 11.025 1.00 0.00 N ATOM 151 N3 G A 5 -3.149 6.909 11.596 1.00 0.00 N ATOM 152 C4 G A 5 -1.887 6.453 11.801 1.00 0.00 C ATOM 0 H5' G A 5 2.721 10.581 13.116 1.00 0.00 H new ATOM 0 H5'' G A 5 2.293 10.678 14.813 1.00 0.00 H new ATOM 0 H4' G A 5 0.359 11.025 13.417 1.00 0.00 H new ATOM 0 H3' G A 5 0.392 8.430 15.059 1.00 0.00 H new ATOM 0 H2' G A 5 -1.900 8.072 14.246 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.941 10.702 14.425 1.00 0.00 H new ATOM 0 H1' G A 5 -1.460 9.131 11.658 1.00 0.00 H new ATOM 0 H8 G A 5 1.231 6.648 12.573 1.00 0.00 H new ATOM 0 H1 G A 5 -4.341 3.942 10.877 1.00 0.00 H new ATOM 0 H21 G A 5 -5.615 7.169 11.104 1.00 0.00 H new ATOM 0 H22 G A 5 -5.924 5.463 10.766 1.00 0.00 H new ATOM 164 P U A 6 -0.960 9.489 17.105 1.00 0.00 P ATOM 165 OP1 U A 6 -1.136 10.601 18.065 1.00 0.00 O ATOM 166 OP2 U A 6 -0.082 8.352 17.458 1.00 0.00 O ATOM 167 O5' U A 6 -2.423 8.896 16.755 1.00 0.00 O ATOM 168 C5' U A 6 -3.564 9.731 16.701 1.00 0.00 C ATOM 169 C4' U A 6 -4.825 8.882 16.464 1.00 0.00 C ATOM 170 O4' U A 6 -4.797 8.223 15.190 1.00 0.00 O ATOM 171 C3' U A 6 -4.981 7.767 17.487 1.00 0.00 C ATOM 172 O3' U A 6 -5.520 8.207 18.717 1.00 0.00 O ATOM 173 C2' U A 6 -5.954 6.879 16.759 1.00 0.00 C ATOM 174 O2' U A 6 -7.245 7.451 16.793 1.00 0.00 O ATOM 175 C1' U A 6 -5.445 6.942 15.335 1.00 0.00 C ATOM 176 N1 U A 6 -4.480 5.847 15.068 1.00 0.00 N ATOM 177 C2 U A 6 -4.981 4.660 14.550 1.00 0.00 C ATOM 178 O2 U A 6 -6.184 4.476 14.379 1.00 0.00 O ATOM 179 N3 U A 6 -4.049 3.689 14.234 1.00 0.00 N ATOM 180 C4 U A 6 -2.677 3.796 14.383 1.00 0.00 C ATOM 181 O4 U A 6 -1.942 2.859 14.083 1.00 0.00 O ATOM 182 C5 U A 6 -2.240 5.072 14.908 1.00 0.00 C ATOM 183 C6 U A 6 -3.135 6.031 15.234 1.00 0.00 C ATOM 0 H5' U A 6 -3.452 10.463 15.901 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.661 10.289 17.632 1.00 0.00 H new ATOM 0 H4' U A 6 -5.646 9.596 16.533 1.00 0.00 H new ATOM 0 H3' U A 6 -4.038 7.304 17.778 1.00 0.00 H new ATOM 0 H2' U A 6 -6.021 5.875 17.178 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.263 8.178 17.450 1.00 0.00 H new ATOM 0 H1' U A 6 -6.265 6.826 14.626 1.00 0.00 H new ATOM 0 H3 U A 6 -4.406 2.812 13.856 1.00 0.00 H new ATOM 0 H5 U A 6 -1.185 5.260 15.041 1.00 0.00 H new ATOM 0 H6 U A 6 -2.778 6.968 15.636 1.00 0.00 H new ATOM 194 P C A 7 -5.498 7.240 20.015 1.00 0.00 P ATOM 195 OP1 C A 7 -6.236 7.918 21.104 1.00 0.00 O ATOM 196 OP2 C A 7 -4.100 6.812 20.235 1.00 0.00 O ATOM 197 O5' C A 7 -6.351 5.938 19.565 1.00 0.00 O ATOM 198 C5' C A 7 -7.765 5.966 19.520 1.00 0.00 C ATOM 199 C4' C A 7 -8.303 4.574 19.154 1.00 0.00 C ATOM 200 O4' C A 7 -7.853 4.135 17.871 1.00 0.00 O ATOM 201 C3' C A 7 -7.829 3.517 20.125 1.00 0.00 C ATOM 202 O3' C A 7 -8.574 3.566 21.330 1.00 0.00 O ATOM 203 C2' C A 7 -8.086 2.254 19.331 1.00 0.00 C ATOM 204 O2' C A 7 -9.452 1.906 19.429 1.00 0.00 O ATOM 205 C1' C A 7 -7.792 2.693 17.889 1.00 0.00 C ATOM 206 N1 C A 7 -6.446 2.225 17.462 1.00 0.00 N ATOM 207 C2 C A 7 -6.325 0.895 17.064 1.00 0.00 C ATOM 208 O2 C A 7 -7.302 0.150 17.079 1.00 0.00 O ATOM 209 N3 C A 7 -5.102 0.451 16.660 1.00 0.00 N ATOM 210 C4 C A 7 -4.041 1.269 16.654 1.00 0.00 C ATOM 211 N4 C A 7 -2.861 0.797 16.241 1.00 0.00 N ATOM 212 C5 C A 7 -4.151 2.637 17.061 1.00 0.00 C ATOM 213 C6 C A 7 -5.369 3.068 17.445 1.00 0.00 C ATOM 0 H5' C A 7 -8.100 6.700 18.787 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.162 6.277 20.486 1.00 0.00 H new ATOM 0 H4' C A 7 -9.387 4.685 19.173 1.00 0.00 H new ATOM 0 H3' C A 7 -6.794 3.620 20.450 1.00 0.00 H new ATOM 0 H2' C A 7 -7.496 1.402 19.668 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.639 1.563 20.328 1.00 0.00 H new ATOM 0 H1' C A 7 -8.517 2.262 17.198 1.00 0.00 H new ATOM 0 H41 C A 7 -2.043 1.407 16.230 1.00 0.00 H new ATOM 0 H42 C A 7 -2.778 -0.173 15.937 1.00 0.00 H new ATOM 0 H5 C A 7 -3.295 3.295 17.060 1.00 0.00 H new ATOM 0 H6 C A 7 -5.497 4.098 17.745 1.00 0.00 H new ATOM 225 P C A 8 -8.158 2.676 22.601 1.00 0.00 P ATOM 226 OP1 C A 8 -9.065 3.010 23.721 1.00 0.00 O ATOM 227 OP2 C A 8 -6.693 2.792 22.780 1.00 0.00 O ATOM 228 O5' C A 8 -8.489 1.181 22.119 1.00 0.00 O ATOM 229 C5' C A 8 -7.736 0.102 22.609 1.00 0.00 C ATOM 230 C4' C A 8 -8.171 -1.201 21.941 1.00 0.00 C ATOM 231 O4' C A 8 -8.124 -1.097 20.513 1.00 0.00 O ATOM 232 C3' C A 8 -7.203 -2.302 22.320 1.00 0.00 C ATOM 233 O3' C A 8 -7.571 -2.949 23.520 1.00 0.00 O ATOM 234 C2' C A 8 -7.289 -3.228 21.140 1.00 0.00 C ATOM 235 O2' C A 8 -8.402 -4.087 21.267 1.00 0.00 O ATOM 236 C1' C A 8 -7.503 -2.275 19.980 1.00 0.00 C ATOM 237 N1 C A 8 -6.171 -1.947 19.438 1.00 0.00 N ATOM 238 C2 C A 8 -5.512 -2.934 18.710 1.00 0.00 C ATOM 239 O2 C A 8 -6.086 -3.982 18.423 1.00 0.00 O ATOM 240 N3 C A 8 -4.220 -2.708 18.342 1.00 0.00 N ATOM 241 C4 C A 8 -3.602 -1.569 18.679 1.00 0.00 C ATOM 242 N4 C A 8 -2.333 -1.386 18.304 1.00 0.00 N ATOM 243 C5 C A 8 -4.274 -0.555 19.435 1.00 0.00 C ATOM 244 C6 C A 8 -5.549 -0.789 19.781 1.00 0.00 C ATOM 0 H5' C A 8 -7.862 0.024 23.689 1.00 0.00 H new ATOM 0 H5'' C A 8 -6.676 0.277 22.424 1.00 0.00 H new ATOM 0 H4' C A 8 -9.189 -1.412 22.270 1.00 0.00 H new ATOM 0 H3' C A 8 -6.195 -1.936 22.516 1.00 0.00 H new ATOM 0 H2' C A 8 -6.413 -3.867 21.029 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.687 -4.117 22.204 1.00 0.00 H new ATOM 0 HO3' C A 8 -6.920 -3.652 23.725 1.00 0.00 H new ATOM 0 H1' C A 8 -8.128 -2.699 19.194 1.00 0.00 H new ATOM 0 H41 C A 8 -1.847 -0.524 18.552 1.00 0.00 H new ATOM 0 H42 C A 8 -1.850 -2.108 17.769 1.00 0.00 H new ATOM 0 H5 C A 8 -3.775 0.361 19.715 1.00 0.00 H new ATOM 0 H6 C A 8 -6.091 -0.043 20.343 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.591 -9.354 13.680 1.00 0.00 O ATOM 259 C5' G B 9 1.983 -10.624 13.593 1.00 0.00 C ATOM 260 C4' G B 9 0.533 -10.543 14.075 1.00 0.00 C ATOM 261 O4' G B 9 0.460 -10.140 15.441 1.00 0.00 O ATOM 262 C3' G B 9 -0.279 -9.514 13.314 1.00 0.00 C ATOM 263 O3' G B 9 -0.664 -9.965 12.028 1.00 0.00 O ATOM 264 C2' G B 9 -1.452 -9.375 14.254 1.00 0.00 C ATOM 265 O2' G B 9 -2.286 -10.510 14.151 1.00 0.00 O ATOM 266 C1' G B 9 -0.757 -9.397 15.615 1.00 0.00 C ATOM 267 N9 G B 9 -0.443 -8.011 16.024 1.00 0.00 N ATOM 268 C8 G B 9 0.761 -7.353 15.994 1.00 0.00 C ATOM 269 N7 G B 9 0.700 -6.118 16.407 1.00 0.00 N ATOM 270 C5 G B 9 -0.640 -5.940 16.735 1.00 0.00 C ATOM 271 C6 G B 9 -1.315 -4.788 17.238 1.00 0.00 C ATOM 272 O6 G B 9 -0.845 -3.682 17.494 1.00 0.00 O ATOM 273 N1 G B 9 -2.669 -5.033 17.437 1.00 0.00 N ATOM 274 C2 G B 9 -3.301 -6.231 17.182 1.00 0.00 C ATOM 275 N2 G B 9 -4.615 -6.283 17.428 1.00 0.00 N ATOM 276 N3 G B 9 -2.673 -7.313 16.707 1.00 0.00 N ATOM 277 C4 G B 9 -1.348 -7.096 16.507 1.00 0.00 C ATOM 0 H5' G B 9 2.536 -11.343 14.197 1.00 0.00 H new ATOM 0 H5'' G B 9 2.014 -10.981 12.564 1.00 0.00 H new ATOM 0 H4' G B 9 0.135 -11.546 13.920 1.00 0.00 H new ATOM 0 H3' G B 9 0.247 -8.586 13.092 1.00 0.00 H new ATOM 0 H2' G B 9 -2.070 -8.497 14.066 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.045 -10.415 14.764 1.00 0.00 H new ATOM 0 HO5' G B 9 3.519 -9.414 13.372 1.00 0.00 H new ATOM 0 H1' G B 9 -1.387 -9.850 16.381 1.00 0.00 H new ATOM 0 H8 G B 9 1.677 -7.817 15.658 1.00 0.00 H new ATOM 0 H1 G B 9 -3.238 -4.268 17.799 1.00 0.00 H new ATOM 0 H21 G B 9 -5.132 -7.145 17.257 1.00 0.00 H new ATOM 0 H22 G B 9 -5.100 -5.460 17.787 1.00 0.00 H new ATOM 290 P G B 10 -1.269 -8.936 10.935 1.00 0.00 P ATOM 291 OP1 G B 10 -1.543 -9.693 9.694 1.00 0.00 O ATOM 292 OP2 G B 10 -0.384 -7.751 10.890 1.00 0.00 O ATOM 293 O5' G B 10 -2.681 -8.480 11.565 1.00 0.00 O ATOM 294 C5' G B 10 -3.786 -9.359 11.580 1.00 0.00 C ATOM 295 C4' G B 10 -4.977 -8.676 12.257 1.00 0.00 C ATOM 296 O4' G B 10 -4.654 -8.277 13.593 1.00 0.00 O ATOM 297 C3' G B 10 -5.405 -7.400 11.559 1.00 0.00 C ATOM 298 O3' G B 10 -6.151 -7.639 10.378 1.00 0.00 O ATOM 299 C2' G B 10 -6.247 -6.795 12.656 1.00 0.00 C ATOM 300 O2' G B 10 -7.460 -7.506 12.785 1.00 0.00 O ATOM 301 C1' G B 10 -5.382 -7.070 13.879 1.00 0.00 C ATOM 302 N9 G B 10 -4.441 -5.941 14.068 1.00 0.00 N ATOM 303 C8 G B 10 -3.107 -5.865 13.757 1.00 0.00 C ATOM 304 N7 G B 10 -2.561 -4.715 14.036 1.00 0.00 N ATOM 305 C5 G B 10 -3.608 -3.966 14.562 1.00 0.00 C ATOM 306 C6 G B 10 -3.621 -2.623 15.038 1.00 0.00 C ATOM 307 O6 G B 10 -2.686 -1.828 15.099 1.00 0.00 O ATOM 308 N1 G B 10 -4.887 -2.244 15.468 1.00 0.00 N ATOM 309 C2 G B 10 -6.002 -3.053 15.451 1.00 0.00 C ATOM 310 N2 G B 10 -7.141 -2.515 15.903 1.00 0.00 N ATOM 311 N3 G B 10 -5.994 -4.317 15.011 1.00 0.00 N ATOM 312 C4 G B 10 -4.766 -4.706 14.581 1.00 0.00 C ATOM 0 H5' G B 10 -3.528 -10.274 12.113 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.049 -9.646 10.562 1.00 0.00 H new ATOM 0 H4' G B 10 -5.773 -9.420 12.223 1.00 0.00 H new ATOM 0 H3' G B 10 -4.586 -6.778 11.198 1.00 0.00 H new ATOM 0 H2' G B 10 -6.504 -5.748 12.494 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.999 -7.107 13.500 1.00 0.00 H new ATOM 0 H1' G B 10 -5.977 -7.177 14.786 1.00 0.00 H new ATOM 0 H8 G B 10 -2.558 -6.686 13.320 1.00 0.00 H new ATOM 0 H1 G B 10 -4.999 -1.294 15.823 1.00 0.00 H new ATOM 0 H21 G B 10 -7.998 -3.069 15.913 1.00 0.00 H new ATOM 0 H22 G B 10 -7.152 -1.551 16.237 1.00 0.00 H new ATOM 324 P A B 11 -6.395 -6.458 9.293 1.00 0.00 P ATOM 325 OP1 A B 11 -7.224 -7.008 8.198 1.00 0.00 O ATOM 326 OP2 A B 11 -5.084 -5.847 8.984 1.00 0.00 O ATOM 327 O5' A B 11 -7.277 -5.363 10.087 1.00 0.00 O ATOM 328 C5' A B 11 -8.623 -5.623 10.420 1.00 0.00 C ATOM 329 C4' A B 11 -9.201 -4.446 11.211 1.00 0.00 C ATOM 330 O4' A B 11 -8.420 -4.173 12.377 1.00 0.00 O ATOM 331 C3' A B 11 -9.224 -3.141 10.439 1.00 0.00 C ATOM 332 O3' A B 11 -10.320 -3.061 9.550 1.00 0.00 O ATOM 333 C2' A B 11 -9.348 -2.141 11.554 1.00 0.00 C ATOM 334 O2' A B 11 -10.678 -2.112 12.031 1.00 0.00 O ATOM 335 C1' A B 11 -8.445 -2.754 12.617 1.00 0.00 C ATOM 336 N9 A B 11 -7.077 -2.192 12.498 1.00 0.00 N ATOM 337 C8 A B 11 -5.925 -2.793 12.054 1.00 0.00 C ATOM 338 N7 A B 11 -4.866 -2.037 12.136 1.00 0.00 N ATOM 339 C5 A B 11 -5.350 -0.841 12.652 1.00 0.00 C ATOM 340 C6 A B 11 -4.727 0.379 12.972 1.00 0.00 C ATOM 341 N6 A B 11 -3.414 0.593 12.827 1.00 0.00 N ATOM 342 N1 A B 11 -5.507 1.374 13.435 1.00 0.00 N ATOM 343 C2 A B 11 -6.812 1.158 13.581 1.00 0.00 C ATOM 344 N3 A B 11 -7.509 0.057 13.334 1.00 0.00 N ATOM 345 C4 A B 11 -6.700 -0.920 12.861 1.00 0.00 C ATOM 0 H5' A B 11 -8.691 -6.537 11.010 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.206 -5.785 9.514 1.00 0.00 H new ATOM 0 H4' A B 11 -10.217 -4.762 11.446 1.00 0.00 H new ATOM 0 H3' A B 11 -8.355 -2.998 9.797 1.00 0.00 H new ATOM 0 H2' A B 11 -9.089 -1.121 11.268 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.284 -2.430 11.330 1.00 0.00 H new ATOM 0 H1' A B 11 -8.813 -2.537 13.620 1.00 0.00 H new ATOM 0 H8 A B 11 -5.899 -3.802 11.671 1.00 0.00 H new ATOM 0 H61 A B 11 -3.014 1.498 13.075 1.00 0.00 H new ATOM 0 H62 A B 11 -2.813 -0.149 12.469 1.00 0.00 H new ATOM 0 H2 A B 11 -7.383 1.996 13.952 1.00 0.00 H new ATOM 357 P U B 12 -10.094 -2.718 8.000 1.00 0.00 P ATOM 358 OP1 U B 12 -11.384 -2.864 7.291 1.00 0.00 O ATOM 359 OP2 U B 12 -8.898 -3.447 7.525 1.00 0.00 O ATOM 360 O5' U B 12 -9.739 -1.153 8.099 1.00 0.00 O ATOM 361 C5' U B 12 -10.735 -0.217 8.466 1.00 0.00 C ATOM 362 C4' U B 12 -10.093 1.135 8.776 1.00 0.00 C ATOM 363 O4' U B 12 -9.220 1.037 9.899 1.00 0.00 O ATOM 364 C3' U B 12 -9.233 1.655 7.645 1.00 0.00 C ATOM 365 O3' U B 12 -10.006 2.219 6.601 1.00 0.00 O ATOM 366 C2' U B 12 -8.423 2.693 8.387 1.00 0.00 C ATOM 367 O2' U B 12 -9.213 3.841 8.610 1.00 0.00 O ATOM 368 C1' U B 12 -8.175 2.005 9.732 1.00 0.00 C ATOM 369 N1 U B 12 -6.850 1.337 9.725 1.00 0.00 N ATOM 370 C2 U B 12 -5.746 2.132 9.987 1.00 0.00 C ATOM 371 O2 U B 12 -5.853 3.334 10.219 1.00 0.00 O ATOM 372 N3 U B 12 -4.513 1.499 9.974 1.00 0.00 N ATOM 373 C4 U B 12 -4.294 0.155 9.713 1.00 0.00 C ATOM 374 O4 U B 12 -3.155 -0.304 9.715 1.00 0.00 O ATOM 375 C5 U B 12 -5.503 -0.603 9.461 1.00 0.00 C ATOM 376 C6 U B 12 -6.718 -0.005 9.477 1.00 0.00 C ATOM 0 H5' U B 12 -11.281 -0.578 9.337 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.459 -0.108 7.658 1.00 0.00 H new ATOM 0 H4' U B 12 -10.932 1.807 8.955 1.00 0.00 H new ATOM 0 H3' U B 12 -8.641 0.897 7.132 1.00 0.00 H new ATOM 0 H2' U B 12 -7.521 3.005 7.860 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.686 4.512 9.092 1.00 0.00 H new ATOM 0 H1' U B 12 -8.177 2.726 10.550 1.00 0.00 H new ATOM 0 H3 U B 12 -3.694 2.073 10.174 1.00 0.00 H new ATOM 0 H5 U B 12 -5.434 -1.661 9.257 1.00 0.00 H new ATOM 0 H6 U B 12 -7.601 -0.598 9.291 1.00 0.00 H new ATOM 387 P G B 13 -9.317 2.663 5.212 1.00 0.00 P ATOM 388 OP1 G B 13 -10.386 3.102 4.287 1.00 0.00 O ATOM 389 OP2 G B 13 -8.385 1.590 4.800 1.00 0.00 O ATOM 390 O5' G B 13 -8.445 3.955 5.616 1.00 0.00 O ATOM 391 C5' G B 13 -9.062 5.207 5.846 1.00 0.00 C ATOM 392 C4' G B 13 -7.989 6.239 6.202 1.00 0.00 C ATOM 393 O4' G B 13 -7.276 5.859 7.374 1.00 0.00 O ATOM 394 C3' G B 13 -6.930 6.344 5.124 1.00 0.00 C ATOM 395 O3' G B 13 -7.358 7.125 4.019 1.00 0.00 O ATOM 396 C2' G B 13 -5.819 7.016 5.891 1.00 0.00 C ATOM 397 O2' G B 13 -6.028 8.412 5.918 1.00 0.00 O ATOM 398 C1' G B 13 -5.978 6.462 7.302 1.00 0.00 C ATOM 399 N9 G B 13 -4.921 5.465 7.553 1.00 0.00 N ATOM 400 C8 G B 13 -4.977 4.106 7.436 1.00 0.00 C ATOM 401 N7 G B 13 -3.853 3.501 7.707 1.00 0.00 N ATOM 402 C5 G B 13 -2.982 4.541 8.018 1.00 0.00 C ATOM 403 C6 G B 13 -1.603 4.511 8.388 1.00 0.00 C ATOM 404 O6 G B 13 -0.867 3.537 8.540 1.00 0.00 O ATOM 405 N1 G B 13 -1.103 5.788 8.584 1.00 0.00 N ATOM 406 C2 G B 13 -1.823 6.953 8.459 1.00 0.00 C ATOM 407 N2 G B 13 -1.163 8.091 8.696 1.00 0.00 N ATOM 408 N3 G B 13 -3.115 6.989 8.122 1.00 0.00 N ATOM 409 C4 G B 13 -3.628 5.750 7.916 1.00 0.00 C ATOM 0 H5' G B 13 -9.788 5.125 6.655 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.609 5.525 4.958 1.00 0.00 H new ATOM 0 H4' G B 13 -8.527 7.178 6.332 1.00 0.00 H new ATOM 0 H3' G B 13 -6.659 5.391 4.670 1.00 0.00 H new ATOM 0 H2' G B 13 -4.835 6.837 5.457 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.754 8.646 5.302 1.00 0.00 H new ATOM 0 H1' G B 13 -5.888 7.245 8.055 1.00 0.00 H new ATOM 0 H8 G B 13 -5.873 3.578 7.145 1.00 0.00 H new ATOM 0 H1 G B 13 -0.120 5.871 8.842 1.00 0.00 H new ATOM 0 H21 G B 13 -1.646 8.986 8.618 1.00 0.00 H new ATOM 0 H22 G B 13 -0.177 8.064 8.954 1.00 0.00 H new ATOM 421 P U B 14 -6.550 7.094 2.616 1.00 0.00 P ATOM 422 OP1 U B 14 -7.272 7.958 1.655 1.00 0.00 O ATOM 423 OP2 U B 14 -6.296 5.677 2.275 1.00 0.00 O ATOM 424 O5' U B 14 -5.127 7.789 2.941 1.00 0.00 O ATOM 425 C5' U B 14 -4.984 9.196 2.965 1.00 0.00 C ATOM 426 C4' U B 14 -3.508 9.569 3.192 1.00 0.00 C ATOM 427 O4' U B 14 -3.041 9.144 4.480 1.00 0.00 O ATOM 428 C3' U B 14 -2.572 8.906 2.194 1.00 0.00 C ATOM 429 O3' U B 14 -2.549 9.539 0.930 1.00 0.00 O ATOM 430 C2' U B 14 -1.266 9.090 2.917 1.00 0.00 C ATOM 431 O2' U B 14 -0.869 10.444 2.846 1.00 0.00 O ATOM 432 C1' U B 14 -1.651 8.781 4.350 1.00 0.00 C ATOM 433 N1 U B 14 -1.471 7.336 4.640 1.00 0.00 N ATOM 434 C2 U B 14 -0.252 6.932 5.166 1.00 0.00 C ATOM 435 O2 U B 14 0.680 7.714 5.339 1.00 0.00 O ATOM 436 N3 U B 14 -0.140 5.590 5.488 1.00 0.00 N ATOM 437 C4 U B 14 -1.126 4.630 5.333 1.00 0.00 C ATOM 438 O4 U B 14 -0.910 3.459 5.634 1.00 0.00 O ATOM 439 C5 U B 14 -2.368 5.142 4.799 1.00 0.00 C ATOM 440 C6 U B 14 -2.496 6.447 4.469 1.00 0.00 C ATOM 0 H5' U B 14 -5.601 9.619 3.757 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.335 9.622 2.025 1.00 0.00 H new ATOM 0 H4' U B 14 -3.488 10.654 3.087 1.00 0.00 H new ATOM 0 H3' U B 14 -2.846 7.881 1.946 1.00 0.00 H new ATOM 0 H2' U B 14 -0.455 8.481 2.518 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.372 10.896 2.137 1.00 0.00 H new ATOM 0 H1' U B 14 -1.025 9.332 5.052 1.00 0.00 H new ATOM 0 H3 U B 14 0.751 5.280 5.875 1.00 0.00 H new ATOM 0 H5 U B 14 -3.205 4.473 4.662 1.00 0.00 H new ATOM 0 H6 U B 14 -3.432 6.796 4.060 1.00 0.00 H new ATOM 451 P C B 15 -1.847 8.816 -0.337 1.00 0.00 P ATOM 452 OP1 C B 15 -1.864 9.764 -1.474 1.00 0.00 O ATOM 453 OP2 C B 15 -2.459 7.479 -0.490 1.00 0.00 O ATOM 454 O5' C B 15 -0.307 8.607 0.121 1.00 0.00 O ATOM 455 C5' C B 15 0.608 9.685 0.124 1.00 0.00 C ATOM 456 C4' C B 15 1.998 9.195 0.555 1.00 0.00 C ATOM 457 O4' C B 15 1.989 8.631 1.872 1.00 0.00 O ATOM 458 C3' C B 15 2.520 8.088 -0.335 1.00 0.00 C ATOM 459 O3' C B 15 2.999 8.573 -1.575 1.00 0.00 O ATOM 460 C2' C B 15 3.636 7.550 0.532 1.00 0.00 C ATOM 461 O2' C B 15 4.750 8.416 0.470 1.00 0.00 O ATOM 462 C1' C B 15 3.032 7.633 1.935 1.00 0.00 C ATOM 463 N1 C B 15 2.483 6.307 2.332 1.00 0.00 N ATOM 464 C2 C B 15 3.397 5.322 2.698 1.00 0.00 C ATOM 465 O2 C B 15 4.602 5.565 2.705 1.00 0.00 O ATOM 466 N3 C B 15 2.921 4.094 3.046 1.00 0.00 N ATOM 467 C4 C B 15 1.606 3.836 3.030 1.00 0.00 C ATOM 468 N4 C B 15 1.181 2.619 3.382 1.00 0.00 N ATOM 469 C5 C B 15 0.654 4.838 2.658 1.00 0.00 C ATOM 470 C6 C B 15 1.137 6.054 2.326 1.00 0.00 C ATOM 0 H5' C B 15 0.262 10.464 0.803 1.00 0.00 H new ATOM 0 H5'' C B 15 0.662 10.129 -0.870 1.00 0.00 H new ATOM 0 H4' C B 15 2.624 10.086 0.499 1.00 0.00 H new ATOM 0 H3' C B 15 1.771 7.352 -0.627 1.00 0.00 H new ATOM 0 H2' C B 15 3.971 6.555 0.240 1.00 0.00 H new ATOM 0 HO2' C B 15 4.614 9.073 -0.244 1.00 0.00 H new ATOM 0 H1' C B 15 3.779 7.906 2.680 1.00 0.00 H new ATOM 0 H41 C B 15 0.184 2.405 3.376 1.00 0.00 H new ATOM 0 H42 C B 15 1.854 1.904 3.657 1.00 0.00 H new ATOM 0 H5 C B 15 -0.406 4.630 2.644 1.00 0.00 H new ATOM 0 H6 C B 15 0.450 6.841 2.051 1.00 0.00 H new ATOM 482 P C B 16 3.299 7.561 -2.798 1.00 0.00 P ATOM 483 OP1 C B 16 3.803 8.356 -3.940 1.00 0.00 O ATOM 484 OP2 C B 16 2.110 6.698 -2.974 1.00 0.00 O ATOM 485 O5' C B 16 4.505 6.639 -2.260 1.00 0.00 O ATOM 486 C5' C B 16 5.835 7.118 -2.229 1.00 0.00 C ATOM 487 C4' C B 16 6.758 6.003 -1.731 1.00 0.00 C ATOM 488 O4' C B 16 6.417 5.590 -0.412 1.00 0.00 O ATOM 489 C3' C B 16 6.639 4.750 -2.574 1.00 0.00 C ATOM 490 O3' C B 16 7.361 4.844 -3.782 1.00 0.00 O ATOM 491 C2' C B 16 7.249 3.729 -1.649 1.00 0.00 C ATOM 492 O2' C B 16 8.657 3.791 -1.741 1.00 0.00 O ATOM 493 C1' C B 16 6.808 4.216 -0.267 1.00 0.00 C ATOM 494 N1 C B 16 5.657 3.394 0.170 1.00 0.00 N ATOM 495 C2 C B 16 5.933 2.173 0.777 1.00 0.00 C ATOM 496 O2 C B 16 7.094 1.841 1.006 1.00 0.00 O ATOM 497 N3 C B 16 4.887 1.361 1.099 1.00 0.00 N ATOM 498 C4 C B 16 3.626 1.725 0.824 1.00 0.00 C ATOM 499 N4 C B 16 2.628 0.902 1.160 1.00 0.00 N ATOM 500 C5 C B 16 3.334 2.968 0.175 1.00 0.00 C ATOM 501 C6 C B 16 4.377 3.764 -0.126 1.00 0.00 C ATOM 0 H5' C B 16 5.907 7.986 -1.574 1.00 0.00 H new ATOM 0 H5'' C B 16 6.141 7.443 -3.223 1.00 0.00 H new ATOM 0 H4' C B 16 7.761 6.427 -1.780 1.00 0.00 H new ATOM 0 H3' C B 16 5.621 4.529 -2.895 1.00 0.00 H new ATOM 0 H2' C B 16 6.950 2.704 -1.870 1.00 0.00 H new ATOM 0 HO2' C B 16 8.913 4.112 -2.631 1.00 0.00 H new ATOM 0 HO3' C B 16 7.256 4.013 -4.291 1.00 0.00 H new ATOM 0 H1' C B 16 7.603 4.129 0.473 1.00 0.00 H new ATOM 0 H41 C B 16 1.663 1.162 0.959 1.00 0.00 H new ATOM 0 H42 C B 16 2.832 0.014 1.618 1.00 0.00 H new ATOM 0 H5 C B 16 2.320 3.254 -0.063 1.00 0.00 H new ATOM 0 H6 C B 16 4.198 4.712 -0.610 1.00 0.00 H new TER 514 C B 16