USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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 -20:sc= 0.364 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -18:sc= 0.255 USER MOD Single : A 3 G O2' : rot -20:sc= 0.316 USER MOD Single : A 4 U O2' : rot -19:sc= 0.258 USER MOD Single : A 5 C O2' : rot -21:sc= 0.232 USER MOD Single : A 6 U O2' : rot 141:sc= -0.676 USER MOD Single : A 7 U O2' : rot -135:sc= -1.97! USER MOD Single : A 8 C O2' : rot 21:sc= 0.223 USER MOD Single : A 9 G O2' : rot -24:sc= 0.309 USER MOD Single : A 10 G O2' : rot -12:sc= -1.58! USER MOD Single : A 11 G O2' : rot -23:sc= 0.294 USER MOD Single : A 12 U O2' : rot -24:sc= 0.282 USER MOD Single : A 13 C O2' : rot -25:sc= 0.328 USER MOD Single : A 14 C O2' : rot -30:sc= 0.122 USER MOD Single : A 14 C O3' : rot 180:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 8.794 -4.523 3.690 1.00 0.00 O ATOM 2 C5' G A 1 10.024 -4.954 3.099 1.00 0.00 C ATOM 3 C4' G A 1 9.789 -5.814 1.859 1.00 0.00 C ATOM 4 O4' G A 1 9.008 -6.952 2.210 1.00 0.00 O ATOM 5 C3' G A 1 8.984 -5.148 0.761 1.00 0.00 C ATOM 6 O3' G A 1 9.906 -4.462 -0.097 1.00 0.00 O ATOM 7 C2' G A 1 8.425 -6.337 -0.014 1.00 0.00 C ATOM 8 O2' G A 1 9.394 -6.835 -0.943 1.00 0.00 O ATOM 9 C1' G A 1 8.180 -7.355 1.104 1.00 0.00 C ATOM 10 N9 G A 1 6.795 -7.310 1.585 1.00 0.00 N ATOM 11 C8 G A 1 6.344 -6.753 2.744 1.00 0.00 C ATOM 12 N7 G A 1 5.052 -6.843 2.905 1.00 0.00 N ATOM 13 C5 G A 1 4.622 -7.513 1.761 1.00 0.00 C ATOM 14 C6 G A 1 3.314 -7.902 1.368 1.00 0.00 C ATOM 15 O6 G A 1 2.252 -7.733 1.964 1.00 0.00 O ATOM 16 N1 G A 1 3.322 -8.550 0.148 1.00 0.00 N ATOM 17 C2 G A 1 4.440 -8.799 -0.606 1.00 0.00 C ATOM 18 N2 G A 1 4.260 -9.428 -1.759 1.00 0.00 N ATOM 19 N3 G A 1 5.673 -8.443 -0.253 1.00 0.00 N ATOM 20 C4 G A 1 5.687 -7.804 0.943 1.00 0.00 C ATOM 0 H5' G A 1 10.599 -5.521 3.831 1.00 0.00 H new ATOM 0 H5'' G A 1 10.622 -4.083 2.829 1.00 0.00 H new ATOM 0 H4' G A 1 10.793 -6.035 1.497 1.00 0.00 H new ATOM 0 H3' G A 1 8.225 -4.452 1.120 1.00 0.00 H new ATOM 0 H2' G A 1 7.539 -6.103 -0.605 1.00 0.00 H new ATOM 0 HO2' G A 1 10.062 -6.141 -1.122 1.00 0.00 H new ATOM 0 HO5' G A 1 8.985 -3.977 4.481 1.00 0.00 H new ATOM 0 H1' G A 1 8.394 -8.355 0.728 1.00 0.00 H new ATOM 0 H8 G A 1 6.996 -6.280 3.464 1.00 0.00 H new ATOM 0 H1 G A 1 2.426 -8.868 -0.221 1.00 0.00 H new ATOM 0 H21 G A 1 5.060 -9.637 -2.356 1.00 0.00 H new ATOM 0 H22 G A 1 3.322 -9.703 -2.049 1.00 0.00 H new ATOM 33 P G A 2 9.483 -3.092 -0.836 1.00 0.00 P ATOM 34 OP1 G A 2 10.710 -2.457 -1.368 1.00 0.00 O ATOM 35 OP2 G A 2 8.594 -2.330 0.069 1.00 0.00 O ATOM 36 O5' G A 2 8.605 -3.616 -2.085 1.00 0.00 O ATOM 37 C5' G A 2 9.242 -4.105 -3.273 1.00 0.00 C ATOM 38 C4' G A 2 8.275 -4.893 -4.158 1.00 0.00 C ATOM 39 O4' G A 2 7.678 -5.944 -3.389 1.00 0.00 O ATOM 40 C3' G A 2 7.080 -4.117 -4.684 1.00 0.00 C ATOM 41 O3' G A 2 7.454 -3.493 -5.919 1.00 0.00 O ATOM 42 C2' G A 2 6.113 -5.239 -5.011 1.00 0.00 C ATOM 43 O2' G A 2 6.509 -5.918 -6.208 1.00 0.00 O ATOM 44 C1' G A 2 6.308 -6.137 -3.792 1.00 0.00 C ATOM 45 N9 G A 2 5.449 -5.726 -2.675 1.00 0.00 N ATOM 46 C8 G A 2 5.767 -4.912 -1.625 1.00 0.00 C ATOM 47 N7 G A 2 4.781 -4.719 -0.793 1.00 0.00 N ATOM 48 C5 G A 2 3.737 -5.460 -1.338 1.00 0.00 C ATOM 49 C6 G A 2 2.405 -5.639 -0.879 1.00 0.00 C ATOM 50 O6 G A 2 1.870 -5.177 0.125 1.00 0.00 O ATOM 51 N1 G A 2 1.684 -6.459 -1.724 1.00 0.00 N ATOM 52 C2 G A 2 2.170 -7.040 -2.866 1.00 0.00 C ATOM 53 N2 G A 2 1.333 -7.794 -3.563 1.00 0.00 N ATOM 54 N3 G A 2 3.415 -6.885 -3.308 1.00 0.00 N ATOM 55 C4 G A 2 4.139 -6.083 -2.494 1.00 0.00 C ATOM 0 H5' G A 2 10.083 -4.742 -2.998 1.00 0.00 H new ATOM 0 H5'' G A 2 9.649 -3.266 -3.838 1.00 0.00 H new ATOM 0 H4' G A 2 8.897 -5.211 -4.995 1.00 0.00 H new ATOM 0 H3' G A 2 6.698 -3.357 -4.003 1.00 0.00 H new ATOM 0 H2' G A 2 5.085 -4.921 -5.187 1.00 0.00 H new ATOM 0 HO2' G A 2 7.128 -5.353 -6.715 1.00 0.00 H new ATOM 0 H1' G A 2 6.063 -7.169 -4.041 1.00 0.00 H new ATOM 0 H8 G A 2 6.744 -4.470 -1.496 1.00 0.00 H new ATOM 0 H1 G A 2 0.712 -6.647 -1.479 1.00 0.00 H new ATOM 0 H21 G A 2 1.648 -8.248 -4.420 1.00 0.00 H new ATOM 0 H22 G A 2 0.373 -7.921 -3.242 1.00 0.00 H new ATOM 67 P G A 3 6.655 -2.199 -6.459 1.00 0.00 P ATOM 68 OP1 G A 3 7.257 -1.787 -7.746 1.00 0.00 O ATOM 69 OP2 G A 3 6.549 -1.224 -5.351 1.00 0.00 O ATOM 70 O5' G A 3 5.180 -2.783 -6.756 1.00 0.00 O ATOM 71 C5' G A 3 4.904 -3.500 -7.967 1.00 0.00 C ATOM 72 C4' G A 3 3.475 -4.042 -8.001 1.00 0.00 C ATOM 73 O4' G A 3 3.242 -4.864 -6.851 1.00 0.00 O ATOM 74 C3' G A 3 2.378 -3.003 -7.904 1.00 0.00 C ATOM 75 O3' G A 3 2.115 -2.515 -9.227 1.00 0.00 O ATOM 76 C2' G A 3 1.193 -3.858 -7.488 1.00 0.00 C ATOM 77 O2' G A 3 0.688 -4.601 -8.603 1.00 0.00 O ATOM 78 C1' G A 3 1.852 -4.793 -6.470 1.00 0.00 C ATOM 79 N9 G A 3 1.755 -4.274 -5.091 1.00 0.00 N ATOM 80 C8 G A 3 2.722 -3.675 -4.328 1.00 0.00 C ATOM 81 N7 G A 3 2.308 -3.321 -3.142 1.00 0.00 N ATOM 82 C5 G A 3 0.974 -3.714 -3.123 1.00 0.00 C ATOM 83 C6 G A 3 -0.002 -3.591 -2.095 1.00 0.00 C ATOM 84 O6 G A 3 0.123 -3.098 -0.978 1.00 0.00 O ATOM 85 N1 G A 3 -1.219 -4.113 -2.486 1.00 0.00 N ATOM 86 C2 G A 3 -1.478 -4.682 -3.705 1.00 0.00 C ATOM 87 N2 G A 3 -2.709 -5.128 -3.914 1.00 0.00 N ATOM 88 N3 G A 3 -0.578 -4.804 -4.676 1.00 0.00 N ATOM 89 C4 G A 3 0.625 -4.298 -4.314 1.00 0.00 C ATOM 0 H5' G A 3 5.607 -4.327 -8.067 1.00 0.00 H new ATOM 0 H5'' G A 3 5.062 -2.842 -8.822 1.00 0.00 H new ATOM 0 H4' G A 3 3.423 -4.548 -8.965 1.00 0.00 H new ATOM 0 H3' G A 3 2.599 -2.163 -7.245 1.00 0.00 H new ATOM 0 H2' G A 3 0.342 -3.296 -7.103 1.00 0.00 H new ATOM 0 HO2' G A 3 0.978 -4.177 -9.437 1.00 0.00 H new ATOM 0 H1' G A 3 1.355 -5.763 -6.475 1.00 0.00 H new ATOM 0 H8 G A 3 3.732 -3.511 -4.675 1.00 0.00 H new ATOM 0 H1 G A 3 -1.986 -4.072 -1.814 1.00 0.00 H new ATOM 0 H21 G A 3 -2.950 -5.560 -4.806 1.00 0.00 H new ATOM 0 H22 G A 3 -3.414 -5.039 -3.183 1.00 0.00 H new ATOM 101 P U A 4 1.605 -1.001 -9.457 1.00 0.00 P ATOM 102 OP1 U A 4 1.146 -0.878 -10.860 1.00 0.00 O ATOM 103 OP2 U A 4 2.639 -0.080 -8.935 1.00 0.00 O ATOM 104 O5' U A 4 0.318 -0.908 -8.491 1.00 0.00 O ATOM 105 C5' U A 4 -0.975 -1.344 -8.937 1.00 0.00 C ATOM 106 C4' U A 4 -2.015 -1.251 -7.824 1.00 0.00 C ATOM 107 O4' U A 4 -1.603 -2.061 -6.714 1.00 0.00 O ATOM 108 C3' U A 4 -2.176 0.126 -7.212 1.00 0.00 C ATOM 109 O3' U A 4 -3.157 0.835 -7.981 1.00 0.00 O ATOM 110 C2' U A 4 -2.793 -0.202 -5.863 1.00 0.00 C ATOM 111 O2' U A 4 -4.178 -0.531 -6.002 1.00 0.00 O ATOM 112 C1' U A 4 -1.980 -1.438 -5.470 1.00 0.00 C ATOM 113 N1 U A 4 -0.755 -1.086 -4.721 1.00 0.00 N ATOM 114 C2 U A 4 -0.872 -0.897 -3.356 1.00 0.00 C ATOM 115 O2 U A 4 -1.941 -1.000 -2.761 1.00 0.00 O ATOM 116 N3 U A 4 0.287 -0.566 -2.691 1.00 0.00 N ATOM 117 C4 U A 4 1.534 -0.409 -3.257 1.00 0.00 C ATOM 118 O4 U A 4 2.490 -0.101 -2.556 1.00 0.00 O ATOM 119 C5 U A 4 1.581 -0.624 -4.685 1.00 0.00 C ATOM 120 C6 U A 4 0.452 -0.951 -5.358 1.00 0.00 C ATOM 0 H5' U A 4 -0.911 -2.373 -9.290 1.00 0.00 H new ATOM 0 H5'' U A 4 -1.292 -0.736 -9.784 1.00 0.00 H new ATOM 0 H4' U A 4 -2.944 -1.556 -8.307 1.00 0.00 H new ATOM 0 H3' U A 4 -1.259 0.713 -7.163 1.00 0.00 H new ATOM 0 H2' U A 4 -2.762 0.613 -5.140 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.512 -0.185 -6.856 1.00 0.00 H new ATOM 0 H1' U A 4 -2.571 -2.086 -4.822 1.00 0.00 H new ATOM 0 H3 U A 4 0.216 -0.423 -1.684 1.00 0.00 H new ATOM 0 H5 U A 4 2.516 -0.524 -5.216 1.00 0.00 H new ATOM 0 H6 U A 4 0.504 -1.110 -6.425 1.00 0.00 H new ATOM 131 P C A 5 -3.121 2.444 -8.063 1.00 0.00 P ATOM 132 OP1 C A 5 -4.093 2.879 -9.090 1.00 0.00 O ATOM 133 OP2 C A 5 -1.707 2.872 -8.155 1.00 0.00 O ATOM 134 O5' C A 5 -3.682 2.880 -6.613 1.00 0.00 O ATOM 135 C5' C A 5 -5.090 3.018 -6.385 1.00 0.00 C ATOM 136 C4' C A 5 -5.397 3.459 -4.955 1.00 0.00 C ATOM 137 O4' C A 5 -4.924 2.473 -4.029 1.00 0.00 O ATOM 138 C3' C A 5 -4.690 4.719 -4.499 1.00 0.00 C ATOM 139 O3' C A 5 -5.479 5.841 -4.912 1.00 0.00 O ATOM 140 C2' C A 5 -4.810 4.601 -2.989 1.00 0.00 C ATOM 141 O2' C A 5 -6.134 4.932 -2.560 1.00 0.00 O ATOM 142 C1' C A 5 -4.536 3.107 -2.790 1.00 0.00 C ATOM 143 N1 C A 5 -3.108 2.825 -2.531 1.00 0.00 N ATOM 144 C2 C A 5 -2.689 2.799 -1.210 1.00 0.00 C ATOM 145 O2 C A 5 -3.484 3.016 -0.300 1.00 0.00 O ATOM 146 N3 C A 5 -1.383 2.541 -0.943 1.00 0.00 N ATOM 147 C4 C A 5 -0.517 2.314 -1.934 1.00 0.00 C ATOM 148 N4 C A 5 0.747 2.068 -1.603 1.00 0.00 N ATOM 149 C5 C A 5 -0.937 2.339 -3.300 1.00 0.00 C ATOM 150 C6 C A 5 -2.233 2.597 -3.553 1.00 0.00 C ATOM 0 H5' C A 5 -5.585 2.068 -6.586 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.501 3.745 -7.085 1.00 0.00 H new ATOM 0 H4' C A 5 -6.476 3.616 -4.967 1.00 0.00 H new ATOM 0 H3' C A 5 -3.673 4.836 -4.874 1.00 0.00 H new ATOM 0 H2' C A 5 -4.148 5.262 -2.430 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.573 5.477 -3.246 1.00 0.00 H new ATOM 0 H1' C A 5 -5.088 2.739 -1.925 1.00 0.00 H new ATOM 0 H41 C A 5 1.439 1.890 -2.331 1.00 0.00 H new ATOM 0 H42 C A 5 1.024 2.058 -0.621 1.00 0.00 H new ATOM 0 H5 C A 5 -0.237 2.157 -4.102 1.00 0.00 H new ATOM 0 H6 C A 5 -2.584 2.624 -4.574 1.00 0.00 H new ATOM 162 P U A 6 -4.795 7.284 -5.136 1.00 0.00 P ATOM 163 OP1 U A 6 -5.864 8.261 -5.445 1.00 0.00 O ATOM 164 OP2 U A 6 -3.655 7.116 -6.065 1.00 0.00 O ATOM 165 O5' U A 6 -4.203 7.623 -3.673 1.00 0.00 O ATOM 166 C5' U A 6 -5.061 8.101 -2.627 1.00 0.00 C ATOM 167 C4' U A 6 -4.327 8.205 -1.292 1.00 0.00 C ATOM 168 O4' U A 6 -3.827 6.915 -0.914 1.00 0.00 O ATOM 169 C3' U A 6 -3.086 9.073 -1.301 1.00 0.00 C ATOM 170 O3' U A 6 -3.497 10.418 -1.026 1.00 0.00 O ATOM 171 C2' U A 6 -2.336 8.557 -0.085 1.00 0.00 C ATOM 172 O2' U A 6 -2.925 9.051 1.124 1.00 0.00 O ATOM 173 C1' U A 6 -2.569 7.051 -0.225 1.00 0.00 C ATOM 174 N1 U A 6 -1.517 6.390 -1.028 1.00 0.00 N ATOM 175 C2 U A 6 -0.466 5.802 -0.348 1.00 0.00 C ATOM 176 O2 U A 6 -0.381 5.809 0.877 1.00 0.00 O ATOM 177 N3 U A 6 0.492 5.198 -1.131 1.00 0.00 N ATOM 178 C4 U A 6 0.497 5.129 -2.507 1.00 0.00 C ATOM 179 O4 U A 6 1.408 4.551 -3.089 1.00 0.00 O ATOM 180 C5 U A 6 -0.630 5.766 -3.147 1.00 0.00 C ATOM 181 C6 U A 6 -1.585 6.366 -2.397 1.00 0.00 C ATOM 0 H5' U A 6 -5.913 7.430 -2.521 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.457 9.079 -2.901 1.00 0.00 H new ATOM 0 H4' U A 6 -5.073 8.633 -0.623 1.00 0.00 H new ATOM 0 H3' U A 6 -2.516 9.049 -2.230 1.00 0.00 H new ATOM 0 H2' U A 6 -1.288 8.854 -0.037 1.00 0.00 H new ATOM 0 HO2' U A 6 -2.917 8.345 1.804 1.00 0.00 H new ATOM 0 H1' U A 6 -2.559 6.582 0.759 1.00 0.00 H new ATOM 0 H3 U A 6 1.274 4.759 -0.645 1.00 0.00 H new ATOM 0 H5 U A 6 -0.711 5.764 -4.224 1.00 0.00 H new ATOM 0 H6 U A 6 -2.422 6.838 -2.890 1.00 0.00 H new ATOM 192 P U A 7 -2.529 11.660 -1.367 1.00 0.00 P ATOM 193 OP1 U A 7 -3.372 12.849 -1.621 1.00 0.00 O ATOM 194 OP2 U A 7 -1.543 11.219 -2.383 1.00 0.00 O ATOM 195 O5' U A 7 -1.750 11.876 0.026 1.00 0.00 O ATOM 196 C5' U A 7 -1.052 13.095 0.304 1.00 0.00 C ATOM 197 C4' U A 7 -0.835 13.285 1.803 1.00 0.00 C ATOM 198 O4' U A 7 -2.113 13.336 2.463 1.00 0.00 O ATOM 199 C3' U A 7 -0.088 12.140 2.480 1.00 0.00 C ATOM 200 O3' U A 7 0.575 12.677 3.631 1.00 0.00 O ATOM 201 C2' U A 7 -1.206 11.238 2.975 1.00 0.00 C ATOM 202 O2' U A 7 -0.767 10.439 4.077 1.00 0.00 O ATOM 203 C1' U A 7 -2.222 12.279 3.426 1.00 0.00 C ATOM 204 N1 U A 7 -3.606 11.763 3.415 1.00 0.00 N ATOM 205 C2 U A 7 -4.298 11.759 4.612 1.00 0.00 C ATOM 206 O2 U A 7 -3.809 12.161 5.663 1.00 0.00 O ATOM 207 N3 U A 7 -5.584 11.269 4.563 1.00 0.00 N ATOM 208 C4 U A 7 -6.232 10.792 3.445 1.00 0.00 C ATOM 209 O4 U A 7 -7.384 10.382 3.537 1.00 0.00 O ATOM 210 C5 U A 7 -5.448 10.827 2.232 1.00 0.00 C ATOM 211 C6 U A 7 -4.181 11.304 2.258 1.00 0.00 C ATOM 0 H5' U A 7 -1.618 13.938 -0.093 1.00 0.00 H new ATOM 0 H5'' U A 7 -0.089 13.089 -0.206 1.00 0.00 H new ATOM 0 H4' U A 7 -0.247 14.199 1.890 1.00 0.00 H new ATOM 0 H3' U A 7 0.632 11.638 1.833 1.00 0.00 H new ATOM 0 H2' U A 7 -1.579 10.525 2.240 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.067 9.515 3.951 1.00 0.00 H new ATOM 0 H1' U A 7 -2.018 12.590 4.451 1.00 0.00 H new ATOM 0 H3 U A 7 -6.107 11.258 5.439 1.00 0.00 H new ATOM 0 H5 U A 7 -5.873 10.473 1.304 1.00 0.00 H new ATOM 0 H6 U A 7 -3.608 11.323 1.343 1.00 0.00 H new ATOM 222 P C A 8 2.182 12.629 3.737 1.00 0.00 P ATOM 223 OP1 C A 8 2.568 12.993 5.120 1.00 0.00 O ATOM 224 OP2 C A 8 2.741 13.384 2.592 1.00 0.00 O ATOM 225 O5' C A 8 2.502 11.064 3.510 1.00 0.00 O ATOM 226 C5' C A 8 2.093 10.084 4.473 1.00 0.00 C ATOM 227 C4' C A 8 2.495 8.671 4.058 1.00 0.00 C ATOM 228 O4' C A 8 1.808 8.309 2.850 1.00 0.00 O ATOM 229 C3' C A 8 3.982 8.493 3.744 1.00 0.00 C ATOM 230 O3' C A 8 4.329 7.137 4.079 1.00 0.00 O ATOM 231 C2' C A 8 4.035 8.621 2.227 1.00 0.00 C ATOM 232 O2' C A 8 5.174 7.933 1.699 1.00 0.00 O ATOM 233 C1' C A 8 2.743 7.914 1.842 1.00 0.00 C ATOM 234 N1 C A 8 2.216 8.331 0.525 1.00 0.00 N ATOM 235 C2 C A 8 2.318 7.434 -0.528 1.00 0.00 C ATOM 236 O2 C A 8 2.847 6.338 -0.360 1.00 0.00 O ATOM 237 N3 C A 8 1.811 7.788 -1.739 1.00 0.00 N ATOM 238 C4 C A 8 1.228 8.979 -1.913 1.00 0.00 C ATOM 239 N4 C A 8 0.742 9.260 -3.118 1.00 0.00 N ATOM 240 C5 C A 8 1.121 9.910 -0.835 1.00 0.00 C ATOM 241 C6 C A 8 1.626 9.548 0.358 1.00 0.00 C ATOM 0 H5' C A 8 1.011 10.130 4.600 1.00 0.00 H new ATOM 0 H5'' C A 8 2.538 10.318 5.440 1.00 0.00 H new ATOM 0 H4' C A 8 2.240 8.052 4.918 1.00 0.00 H new ATOM 0 H3' C A 8 4.636 9.190 4.268 1.00 0.00 H new ATOM 0 H2' C A 8 4.122 9.642 1.856 1.00 0.00 H new ATOM 0 HO2' C A 8 5.487 7.271 2.350 1.00 0.00 H new ATOM 0 H1' C A 8 2.913 6.840 1.772 1.00 0.00 H new ATOM 0 H41 C A 8 0.290 10.158 -3.289 1.00 0.00 H new ATOM 0 H42 C A 8 0.821 8.577 -3.872 1.00 0.00 H new ATOM 0 H5 C A 8 0.650 10.872 -0.973 1.00 0.00 H new ATOM 0 H6 C A 8 1.563 10.230 1.193 1.00 0.00 H new ATOM 253 P G A 9 5.525 6.817 5.120 1.00 0.00 P ATOM 254 OP1 G A 9 6.406 8.006 5.197 1.00 0.00 O ATOM 255 OP2 G A 9 6.101 5.501 4.769 1.00 0.00 O ATOM 256 O5' G A 9 4.757 6.671 6.530 1.00 0.00 O ATOM 257 C5' G A 9 3.956 7.744 7.046 1.00 0.00 C ATOM 258 C4' G A 9 2.952 7.259 8.086 1.00 0.00 C ATOM 259 O4' G A 9 1.882 8.212 8.173 1.00 0.00 O ATOM 260 C3' G A 9 2.240 5.962 7.743 1.00 0.00 C ATOM 261 O3' G A 9 3.023 4.884 8.271 1.00 0.00 O ATOM 262 C2' G A 9 0.976 6.065 8.578 1.00 0.00 C ATOM 263 O2' G A 9 1.254 5.775 9.952 1.00 0.00 O ATOM 264 C1' G A 9 0.626 7.541 8.396 1.00 0.00 C ATOM 265 N9 G A 9 -0.267 7.777 7.235 1.00 0.00 N ATOM 266 C8 G A 9 -1.407 8.536 7.181 1.00 0.00 C ATOM 267 N7 G A 9 -1.987 8.538 6.013 1.00 0.00 N ATOM 268 C5 G A 9 -1.173 7.720 5.234 1.00 0.00 C ATOM 269 C6 G A 9 -1.296 7.341 3.866 1.00 0.00 C ATOM 270 O6 G A 9 -2.170 7.654 3.060 1.00 0.00 O ATOM 271 N1 G A 9 -0.266 6.508 3.472 1.00 0.00 N ATOM 272 C2 G A 9 0.755 6.086 4.283 1.00 0.00 C ATOM 273 N2 G A 9 1.668 5.294 3.742 1.00 0.00 N ATOM 274 N3 G A 9 0.883 6.429 5.560 1.00 0.00 N ATOM 275 C4 G A 9 -0.114 7.248 5.971 1.00 0.00 C ATOM 0 H5' G A 9 3.424 8.226 6.226 1.00 0.00 H new ATOM 0 H5'' G A 9 4.604 8.498 7.492 1.00 0.00 H new ATOM 0 H4' G A 9 3.545 7.122 8.990 1.00 0.00 H new ATOM 0 H3' G A 9 2.070 5.804 6.678 1.00 0.00 H new ATOM 0 H2' G A 9 0.184 5.374 8.289 1.00 0.00 H new ATOM 0 HO2' G A 9 2.058 5.218 10.013 1.00 0.00 H new ATOM 0 H1' G A 9 0.092 7.907 9.273 1.00 0.00 H new ATOM 0 H8 G A 9 -1.790 9.083 8.029 1.00 0.00 H new ATOM 0 H1 G A 9 -0.266 6.183 2.505 1.00 0.00 H new ATOM 0 H21 G A 9 2.447 4.954 4.306 1.00 0.00 H new ATOM 0 H22 G A 9 1.592 5.024 2.761 1.00 0.00 H new ATOM 287 P G A 10 3.638 3.754 7.297 1.00 0.00 P ATOM 288 OP1 G A 10 4.982 3.392 7.806 1.00 0.00 O ATOM 289 OP2 G A 10 3.480 4.202 5.894 1.00 0.00 O ATOM 290 O5' G A 10 2.659 2.490 7.534 1.00 0.00 O ATOM 291 C5' G A 10 1.970 2.315 8.780 1.00 0.00 C ATOM 292 C4' G A 10 0.458 2.492 8.636 1.00 0.00 C ATOM 293 O4' G A 10 0.220 3.592 7.746 1.00 0.00 O ATOM 294 C3' G A 10 -0.262 1.329 7.968 1.00 0.00 C ATOM 295 O3' G A 10 -0.746 0.458 8.997 1.00 0.00 O ATOM 296 C2' G A 10 -1.467 2.006 7.343 1.00 0.00 C ATOM 297 O2' G A 10 -2.444 2.319 8.341 1.00 0.00 O ATOM 298 C1' G A 10 -0.820 3.271 6.807 1.00 0.00 C ATOM 299 N9 G A 10 -0.172 3.021 5.511 1.00 0.00 N ATOM 300 C8 G A 10 1.072 2.495 5.286 1.00 0.00 C ATOM 301 N7 G A 10 1.360 2.351 4.023 1.00 0.00 N ATOM 302 C5 G A 10 0.221 2.814 3.368 1.00 0.00 C ATOM 303 C6 G A 10 -0.059 2.905 1.978 1.00 0.00 C ATOM 304 O6 G A 10 0.659 2.601 1.031 1.00 0.00 O ATOM 305 N1 G A 10 -1.318 3.424 1.746 1.00 0.00 N ATOM 306 C2 G A 10 -2.202 3.815 2.719 1.00 0.00 C ATOM 307 N2 G A 10 -3.366 4.300 2.314 1.00 0.00 N ATOM 308 N3 G A 10 -1.955 3.739 4.025 1.00 0.00 N ATOM 309 C4 G A 10 -0.725 3.229 4.275 1.00 0.00 C ATOM 0 H5' G A 10 2.350 3.033 9.507 1.00 0.00 H new ATOM 0 H5'' G A 10 2.182 1.321 9.173 1.00 0.00 H new ATOM 0 H4' G A 10 0.089 2.611 9.655 1.00 0.00 H new ATOM 0 H3' G A 10 0.356 0.765 7.270 1.00 0.00 H new ATOM 0 H2' G A 10 -1.996 1.410 6.599 1.00 0.00 H new ATOM 0 HO2' G A 10 -2.215 1.863 9.178 1.00 0.00 H new ATOM 0 H1' G A 10 -1.564 4.057 6.681 1.00 0.00 H new ATOM 0 H8 G A 10 1.751 2.225 6.081 1.00 0.00 H new ATOM 0 H1 G A 10 -1.613 3.524 0.775 1.00 0.00 H new ATOM 0 H21 G A 10 -4.058 4.605 2.999 1.00 0.00 H new ATOM 0 H22 G A 10 -3.571 4.369 1.317 1.00 0.00 H new ATOM 321 P G A 11 -1.138 -1.072 8.658 1.00 0.00 P ATOM 322 OP1 G A 11 -1.754 -1.668 9.865 1.00 0.00 O ATOM 323 OP2 G A 11 0.034 -1.722 8.031 1.00 0.00 O ATOM 324 O5' G A 11 -2.283 -0.905 7.533 1.00 0.00 O ATOM 325 C5' G A 11 -3.597 -0.446 7.883 1.00 0.00 C ATOM 326 C4' G A 11 -4.498 -0.292 6.659 1.00 0.00 C ATOM 327 O4' G A 11 -3.918 0.633 5.736 1.00 0.00 O ATOM 328 C3' G A 11 -4.670 -1.538 5.819 1.00 0.00 C ATOM 329 O3' G A 11 -5.728 -2.309 6.404 1.00 0.00 O ATOM 330 C2' G A 11 -5.188 -0.958 4.509 1.00 0.00 C ATOM 331 O2' G A 11 -6.587 -0.664 4.599 1.00 0.00 O ATOM 332 C1' G A 11 -4.371 0.336 4.399 1.00 0.00 C ATOM 333 N9 G A 11 -3.197 0.190 3.514 1.00 0.00 N ATOM 334 C8 G A 11 -1.866 0.203 3.842 1.00 0.00 C ATOM 335 N7 G A 11 -1.073 0.057 2.818 1.00 0.00 N ATOM 336 C5 G A 11 -1.937 -0.060 1.736 1.00 0.00 C ATOM 337 C6 G A 11 -1.655 -0.239 0.354 1.00 0.00 C ATOM 338 O6 G A 11 -0.562 -0.329 -0.198 1.00 0.00 O ATOM 339 N1 G A 11 -2.811 -0.309 -0.398 1.00 0.00 N ATOM 340 C2 G A 11 -4.084 -0.218 0.105 1.00 0.00 C ATOM 341 N2 G A 11 -5.081 -0.307 -0.764 1.00 0.00 N ATOM 342 N3 G A 11 -4.367 -0.050 1.395 1.00 0.00 N ATOM 343 C4 G A 11 -3.244 0.020 2.151 1.00 0.00 C ATOM 0 H5' G A 11 -3.521 0.511 8.399 1.00 0.00 H new ATOM 0 H5'' G A 11 -4.052 -1.149 8.581 1.00 0.00 H new ATOM 0 H4' G A 11 -5.452 0.008 7.092 1.00 0.00 H new ATOM 0 H3' G A 11 -3.777 -2.156 5.723 1.00 0.00 H new ATOM 0 H2' G A 11 -5.084 -1.628 3.655 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.993 -1.216 5.300 1.00 0.00 H new ATOM 0 H1' G A 11 -4.989 1.125 3.971 1.00 0.00 H new ATOM 0 H8 G A 11 -1.508 0.323 4.854 1.00 0.00 H new ATOM 0 H1 G A 11 -2.711 -0.438 -1.405 1.00 0.00 H new ATOM 0 H21 G A 11 -6.046 -0.245 -0.441 1.00 0.00 H new ATOM 0 H22 G A 11 -4.883 -0.437 -1.756 1.00 0.00 H new ATOM 355 P U A 12 -5.694 -3.918 6.360 1.00 0.00 P ATOM 356 OP1 U A 12 -6.954 -4.427 6.950 1.00 0.00 O ATOM 357 OP2 U A 12 -4.391 -4.367 6.901 1.00 0.00 O ATOM 358 O5' U A 12 -5.712 -4.228 4.778 1.00 0.00 O ATOM 359 C5' U A 12 -6.932 -4.170 4.029 1.00 0.00 C ATOM 360 C4' U A 12 -6.679 -4.319 2.532 1.00 0.00 C ATOM 361 O4' U A 12 -5.875 -3.223 2.075 1.00 0.00 O ATOM 362 C3' U A 12 -5.875 -5.544 2.143 1.00 0.00 C ATOM 363 O3' U A 12 -6.804 -6.614 1.916 1.00 0.00 O ATOM 364 C2' U A 12 -5.300 -5.132 0.798 1.00 0.00 C ATOM 365 O2' U A 12 -6.289 -5.231 -0.231 1.00 0.00 O ATOM 366 C1' U A 12 -4.946 -3.669 1.068 1.00 0.00 C ATOM 367 N1 U A 12 -3.572 -3.506 1.591 1.00 0.00 N ATOM 368 C2 U A 12 -2.551 -3.357 0.674 1.00 0.00 C ATOM 369 O2 U A 12 -2.744 -3.372 -0.540 1.00 0.00 O ATOM 370 N3 U A 12 -1.285 -3.200 1.196 1.00 0.00 N ATOM 371 C4 U A 12 -0.955 -3.180 2.533 1.00 0.00 C ATOM 372 O4 U A 12 0.214 -3.042 2.871 1.00 0.00 O ATOM 373 C5 U A 12 -2.072 -3.341 3.433 1.00 0.00 C ATOM 374 C6 U A 12 -3.324 -3.497 2.941 1.00 0.00 C ATOM 0 H5' U A 12 -7.433 -3.221 4.221 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.604 -4.959 4.365 1.00 0.00 H new ATOM 0 H4' U A 12 -7.676 -4.377 2.095 1.00 0.00 H new ATOM 0 H3' U A 12 -5.130 -5.855 2.876 1.00 0.00 H new ATOM 0 H2' U A 12 -4.466 -5.745 0.457 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.978 -5.873 0.038 1.00 0.00 H new ATOM 0 H1' U A 12 -5.002 -3.100 0.140 1.00 0.00 H new ATOM 0 H3 U A 12 -0.521 -3.088 0.530 1.00 0.00 H new ATOM 0 H5 U A 12 -1.909 -3.337 4.501 1.00 0.00 H new ATOM 0 H6 U A 12 -4.148 -3.617 3.628 1.00 0.00 H new ATOM 385 P C A 13 -6.536 -8.082 2.529 1.00 0.00 P ATOM 386 OP1 C A 13 -7.844 -8.741 2.749 1.00 0.00 O ATOM 387 OP2 C A 13 -5.574 -7.952 3.647 1.00 0.00 O ATOM 388 O5' C A 13 -5.787 -8.833 1.315 1.00 0.00 O ATOM 389 C5' C A 13 -6.524 -9.339 0.193 1.00 0.00 C ATOM 390 C4' C A 13 -5.626 -9.540 -1.023 1.00 0.00 C ATOM 391 O4' C A 13 -5.001 -8.292 -1.352 1.00 0.00 O ATOM 392 C3' C A 13 -4.460 -10.487 -0.809 1.00 0.00 C ATOM 393 O3' C A 13 -4.903 -11.803 -1.174 1.00 0.00 O ATOM 394 C2' C A 13 -3.473 -10.025 -1.868 1.00 0.00 C ATOM 395 O2' C A 13 -3.847 -10.509 -3.162 1.00 0.00 O ATOM 396 C1' C A 13 -3.647 -8.506 -1.791 1.00 0.00 C ATOM 397 N1 C A 13 -2.732 -7.874 -0.815 1.00 0.00 N ATOM 398 C2 C A 13 -1.548 -7.337 -1.296 1.00 0.00 C ATOM 399 O2 C A 13 -1.269 -7.417 -2.488 1.00 0.00 O ATOM 400 N3 C A 13 -0.703 -6.730 -0.422 1.00 0.00 N ATOM 401 C4 C A 13 -1.005 -6.651 0.877 1.00 0.00 C ATOM 402 N4 C A 13 -0.135 -6.040 1.676 1.00 0.00 N ATOM 403 C5 C A 13 -2.222 -7.201 1.386 1.00 0.00 C ATOM 404 C6 C A 13 -3.051 -7.802 0.511 1.00 0.00 C ATOM 0 H5' C A 13 -7.327 -8.646 -0.058 1.00 0.00 H new ATOM 0 H5'' C A 13 -6.992 -10.286 0.461 1.00 0.00 H new ATOM 0 H4' C A 13 -6.289 -9.947 -1.787 1.00 0.00 H new ATOM 0 H3' C A 13 -4.063 -10.498 0.206 1.00 0.00 H new ATOM 0 H2' C A 13 -2.452 -10.374 -1.712 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.378 -11.327 -3.064 1.00 0.00 H new ATOM 0 H1' C A 13 -3.425 -8.064 -2.762 1.00 0.00 H new ATOM 0 H41 C A 13 -0.329 -5.959 2.674 1.00 0.00 H new ATOM 0 H42 C A 13 0.726 -5.652 1.291 1.00 0.00 H new ATOM 0 H5 C A 13 -2.468 -7.137 2.436 1.00 0.00 H new ATOM 0 H6 C A 13 -3.978 -8.232 0.862 1.00 0.00 H new ATOM 416 P C A 14 -4.761 -13.041 -0.148 1.00 0.00 P ATOM 417 OP1 C A 14 -5.842 -14.010 -0.436 1.00 0.00 O ATOM 418 OP2 C A 14 -4.603 -12.496 1.219 1.00 0.00 O ATOM 419 O5' C A 14 -3.357 -13.703 -0.584 1.00 0.00 O ATOM 420 C5' C A 14 -3.189 -14.293 -1.882 1.00 0.00 C ATOM 421 C4' C A 14 -1.820 -13.965 -2.471 1.00 0.00 C ATOM 422 O4' C A 14 -1.654 -12.543 -2.513 1.00 0.00 O ATOM 423 C3' C A 14 -0.636 -14.450 -1.648 1.00 0.00 C ATOM 424 O3' C A 14 -0.332 -15.817 -1.944 1.00 0.00 O ATOM 425 C2' C A 14 0.462 -13.523 -2.149 1.00 0.00 C ATOM 426 O2' C A 14 0.922 -13.936 -3.443 1.00 0.00 O ATOM 427 C1' C A 14 -0.287 -12.192 -2.243 1.00 0.00 C ATOM 428 N1 C A 14 -0.236 -11.419 -0.982 1.00 0.00 N ATOM 429 C2 C A 14 0.709 -10.409 -0.878 1.00 0.00 C ATOM 430 O2 C A 14 1.477 -10.177 -1.808 1.00 0.00 O ATOM 431 N3 C A 14 0.767 -9.683 0.270 1.00 0.00 N ATOM 432 C4 C A 14 -0.067 -9.939 1.283 1.00 0.00 C ATOM 433 N4 C A 14 0.046 -9.196 2.378 1.00 0.00 N ATOM 434 C5 C A 14 -1.044 -10.976 1.187 1.00 0.00 C ATOM 435 C6 C A 14 -1.094 -11.688 0.047 1.00 0.00 C ATOM 0 H5' C A 14 -3.970 -13.932 -2.551 1.00 0.00 H new ATOM 0 H5'' C A 14 -3.306 -15.374 -1.809 1.00 0.00 H new ATOM 0 H4' C A 14 -1.817 -14.461 -3.441 1.00 0.00 H new ATOM 0 H3' C A 14 -0.792 -14.423 -0.570 1.00 0.00 H new ATOM 0 H2' C A 14 1.349 -13.496 -1.517 1.00 0.00 H new ATOM 0 HO2' C A 14 0.830 -14.908 -3.528 1.00 0.00 H new ATOM 0 HO3' C A 14 0.433 -16.106 -1.404 1.00 0.00 H new ATOM 0 H1' C A 14 0.166 -11.565 -3.011 1.00 0.00 H new ATOM 0 H41 C A 14 -0.572 -9.361 3.172 1.00 0.00 H new ATOM 0 H42 C A 14 0.751 -8.460 2.425 1.00 0.00 H new ATOM 0 H5 C A 14 -1.721 -11.182 2.003 1.00 0.00 H new ATOM 0 H6 C A 14 -1.820 -12.481 -0.056 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 3.634 -1.052 1.327 1.00 0.00 CO HETATM 450 N1 NCO A 15 5.476 -1.403 0.670 1.00 0.00 N HETATM 451 N2 NCO A 15 1.792 -0.701 1.983 1.00 0.00 N HETATM 452 N3 NCO A 15 3.690 -2.734 2.384 1.00 0.00 N HETATM 453 N4 NCO A 15 3.577 0.630 0.268 1.00 0.00 N HETATM 454 N5 NCO A 15 2.891 -2.051 -0.222 1.00 0.00 N HETATM 455 N6 NCO A 15 4.376 -0.053 2.875 1.00 0.00 N