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 -75:sc= 0.207 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0074 USER MOD Single : A 2 G O2' : rot 180:sc= -0.21 USER MOD Single : A 3 A O2' : rot -34:sc= 0.153 USER MOD Single : A 4 U O2' : rot 180:sc= -0.265 USER MOD Single : A 5 G O2' : rot -8:sc= 0.114 USER MOD Single : A 6 U O2' : rot -17:sc= -0.421 USER MOD Single : A 7 C O2' : rot -10:sc= -0.193 USER MOD Single : A 8 C O2' : rot -21:sc= 0.146 USER MOD Single : A 8 C O3' : rot 180:sc= 0.195 USER MOD Single : B 9 G O2' : rot 180:sc= -0.213 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00179 USER MOD Single : B 10 G O2' : rot 180:sc= -0.356 USER MOD Single : B 11 A O2' : rot -26:sc= 0.171 USER MOD Single : B 12 U O2' : rot -170:sc= -0.263 USER MOD Single : B 13 G O2' : rot -10:sc= 0.13 USER MOD Single : B 14 U O2' : rot 180:sc= -0.533 USER MOD Single : B 15 C O2' : rot -8:sc= -0.134 USER MOD Single : B 16 C O2' : rot -28:sc= 0.131 USER MOD Single : B 16 C O3' : rot 180:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.417 -8.798 4.883 1.00 0.00 O ATOM 2 C5' G A 1 7.800 -8.987 4.680 1.00 0.00 C ATOM 3 C4' G A 1 8.475 -7.641 4.406 1.00 0.00 C ATOM 4 O4' G A 1 7.940 -7.021 3.244 1.00 0.00 O ATOM 5 C3' G A 1 8.249 -6.635 5.514 1.00 0.00 C ATOM 6 O3' G A 1 9.058 -6.887 6.647 1.00 0.00 O ATOM 7 C2' G A 1 8.639 -5.358 4.806 1.00 0.00 C ATOM 8 O2' G A 1 10.047 -5.243 4.778 1.00 0.00 O ATOM 9 C1' G A 1 8.136 -5.606 3.379 1.00 0.00 C ATOM 10 N9 G A 1 6.858 -4.897 3.158 1.00 0.00 N ATOM 11 C8 G A 1 5.576 -5.374 3.260 1.00 0.00 C ATOM 12 N7 G A 1 4.658 -4.491 2.983 1.00 0.00 N ATOM 13 C5 G A 1 5.380 -3.341 2.677 1.00 0.00 C ATOM 14 C6 G A 1 4.922 -2.046 2.295 1.00 0.00 C ATOM 15 O6 G A 1 3.765 -1.658 2.149 1.00 0.00 O ATOM 16 N1 G A 1 5.981 -1.171 2.078 1.00 0.00 N ATOM 17 C2 G A 1 7.314 -1.496 2.214 1.00 0.00 C ATOM 18 N2 G A 1 8.198 -0.522 1.974 1.00 0.00 N ATOM 19 N3 G A 1 7.748 -2.710 2.571 1.00 0.00 N ATOM 20 C4 G A 1 6.729 -3.580 2.785 1.00 0.00 C ATOM 0 H5' G A 1 7.964 -9.663 3.841 1.00 0.00 H new ATOM 0 H5'' G A 1 8.245 -9.455 5.558 1.00 0.00 H new ATOM 0 H4' G A 1 9.533 -7.883 4.303 1.00 0.00 H new ATOM 0 H3' G A 1 7.240 -6.637 5.926 1.00 0.00 H new ATOM 0 H2' G A 1 8.240 -4.458 5.275 1.00 0.00 H new ATOM 0 HO2' G A 1 10.372 -4.990 5.667 1.00 0.00 H new ATOM 0 HO5' G A 1 5.991 -9.663 5.056 1.00 0.00 H new ATOM 0 H1' G A 1 8.854 -5.238 2.646 1.00 0.00 H new ATOM 0 H8 G A 1 5.348 -6.391 3.544 1.00 0.00 H new ATOM 0 H1 G A 1 5.754 -0.217 1.797 1.00 0.00 H new ATOM 0 H21 G A 1 9.197 -0.708 2.060 1.00 0.00 H new ATOM 0 H22 G A 1 7.873 0.407 1.705 1.00 0.00 H new ATOM 33 P G A 2 8.884 -6.013 7.989 1.00 0.00 P ATOM 34 OP1 G A 2 9.825 -6.529 9.008 1.00 0.00 O ATOM 35 OP2 G A 2 7.439 -5.928 8.295 1.00 0.00 O ATOM 36 O5' G A 2 9.391 -4.556 7.526 1.00 0.00 O ATOM 37 C5' G A 2 8.873 -3.389 8.125 1.00 0.00 C ATOM 38 C4' G A 2 9.448 -2.159 7.422 1.00 0.00 C ATOM 39 O4' G A 2 9.094 -2.152 6.034 1.00 0.00 O ATOM 40 C3' G A 2 8.875 -0.879 8.000 1.00 0.00 C ATOM 41 O3' G A 2 9.542 -0.472 9.181 1.00 0.00 O ATOM 42 C2' G A 2 9.108 0.068 6.848 1.00 0.00 C ATOM 43 O2' G A 2 10.478 0.398 6.757 1.00 0.00 O ATOM 44 C1' G A 2 8.728 -0.816 5.665 1.00 0.00 C ATOM 45 N9 G A 2 7.265 -0.760 5.450 1.00 0.00 N ATOM 46 C8 G A 2 6.327 -1.734 5.682 1.00 0.00 C ATOM 47 N7 G A 2 5.107 -1.371 5.407 1.00 0.00 N ATOM 48 C5 G A 2 5.240 -0.064 4.954 1.00 0.00 C ATOM 49 C6 G A 2 4.244 0.851 4.503 1.00 0.00 C ATOM 50 O6 G A 2 3.031 0.678 4.428 1.00 0.00 O ATOM 51 N1 G A 2 4.800 2.065 4.117 1.00 0.00 N ATOM 52 C2 G A 2 6.144 2.366 4.154 1.00 0.00 C ATOM 53 N2 G A 2 6.497 3.588 3.740 1.00 0.00 N ATOM 54 N3 G A 2 7.083 1.511 4.582 1.00 0.00 N ATOM 55 C4 G A 2 6.560 0.318 4.965 1.00 0.00 C ATOM 0 H5' G A 2 9.127 -3.368 9.185 1.00 0.00 H new ATOM 0 H5'' G A 2 7.785 -3.385 8.058 1.00 0.00 H new ATOM 0 H4' G A 2 10.528 -2.207 7.560 1.00 0.00 H new ATOM 0 H3' G A 2 7.836 -0.953 8.321 1.00 0.00 H new ATOM 0 H2' G A 2 8.561 1.008 6.922 1.00 0.00 H new ATOM 0 HO2' G A 2 10.618 1.011 6.006 1.00 0.00 H new ATOM 0 H1' G A 2 9.226 -0.492 4.751 1.00 0.00 H new ATOM 0 H8 G A 2 6.578 -2.714 6.059 1.00 0.00 H new ATOM 0 H1 G A 2 4.164 2.788 3.781 1.00 0.00 H new ATOM 0 H21 G A 2 7.479 3.865 3.746 1.00 0.00 H new ATOM 0 H22 G A 2 5.784 4.243 3.418 1.00 0.00 H new ATOM 67 P A A 3 8.840 0.547 10.226 1.00 0.00 P ATOM 68 OP1 A A 3 9.795 0.800 11.328 1.00 0.00 O ATOM 69 OP2 A A 3 7.491 0.023 10.532 1.00 0.00 O ATOM 70 O5' A A 3 8.664 1.914 9.391 1.00 0.00 O ATOM 71 C5' A A 3 9.782 2.702 9.047 1.00 0.00 C ATOM 72 C4' A A 3 9.321 3.925 8.252 1.00 0.00 C ATOM 73 O4' A A 3 8.595 3.534 7.084 1.00 0.00 O ATOM 74 C3' A A 3 8.379 4.828 9.026 1.00 0.00 C ATOM 75 O3' A A 3 9.067 5.703 9.899 1.00 0.00 O ATOM 76 C2' A A 3 7.717 5.584 7.911 1.00 0.00 C ATOM 77 O2' A A 3 8.597 6.575 7.422 1.00 0.00 O ATOM 78 C1' A A 3 7.550 4.496 6.858 1.00 0.00 C ATOM 79 N9 A A 3 6.226 3.844 7.009 1.00 0.00 N ATOM 80 C8 A A 3 5.929 2.568 7.421 1.00 0.00 C ATOM 81 N7 A A 3 4.659 2.279 7.377 1.00 0.00 N ATOM 82 C5 A A 3 4.067 3.450 6.919 1.00 0.00 C ATOM 83 C6 A A 3 2.730 3.801 6.658 1.00 0.00 C ATOM 84 N6 A A 3 1.705 2.955 6.816 1.00 0.00 N ATOM 85 N1 A A 3 2.486 5.056 6.239 1.00 0.00 N ATOM 86 C2 A A 3 3.507 5.895 6.081 1.00 0.00 C ATOM 87 N3 A A 3 4.801 5.681 6.277 1.00 0.00 N ATOM 88 C4 A A 3 5.013 4.415 6.705 1.00 0.00 C ATOM 0 H5' A A 3 10.485 2.115 8.456 1.00 0.00 H new ATOM 0 H5'' A A 3 10.308 3.018 9.948 1.00 0.00 H new ATOM 0 H4' A A 3 10.242 4.457 8.015 1.00 0.00 H new ATOM 0 H3' A A 3 7.695 4.287 9.679 1.00 0.00 H new ATOM 0 H2' A A 3 6.792 6.085 8.197 1.00 0.00 H new ATOM 0 HO2' A A 3 9.139 6.925 8.160 1.00 0.00 H new ATOM 0 H1' A A 3 7.610 4.913 5.853 1.00 0.00 H new ATOM 0 H8 A A 3 6.681 1.867 7.752 1.00 0.00 H new ATOM 0 H61 A A 3 0.754 3.262 6.612 1.00 0.00 H new ATOM 0 H62 A A 3 1.875 2.003 7.141 1.00 0.00 H new ATOM 0 H2 A A 3 3.245 6.888 5.747 1.00 0.00 H new ATOM 100 P U A 4 8.713 5.745 11.463 1.00 0.00 P ATOM 101 OP1 U A 4 9.702 6.607 12.147 1.00 0.00 O ATOM 102 OP2 U A 4 8.483 4.361 11.932 1.00 0.00 O ATOM 103 O5' U A 4 7.304 6.517 11.422 1.00 0.00 O ATOM 104 C5' U A 4 7.252 7.890 11.086 1.00 0.00 C ATOM 105 C4' U A 4 5.804 8.309 10.830 1.00 0.00 C ATOM 106 O4' U A 4 5.265 7.612 9.710 1.00 0.00 O ATOM 107 C3' U A 4 4.882 7.986 11.985 1.00 0.00 C ATOM 108 O3' U A 4 5.001 8.921 13.042 1.00 0.00 O ATOM 109 C2' U A 4 3.545 8.072 11.289 1.00 0.00 C ATOM 110 O2' U A 4 3.193 9.426 11.104 1.00 0.00 O ATOM 111 C1' U A 4 3.855 7.462 9.919 1.00 0.00 C ATOM 112 N1 U A 4 3.480 6.027 9.902 1.00 0.00 N ATOM 113 C2 U A 4 2.145 5.730 9.687 1.00 0.00 C ATOM 114 O2 U A 4 1.305 6.610 9.512 1.00 0.00 O ATOM 115 N3 U A 4 1.805 4.386 9.680 1.00 0.00 N ATOM 116 C4 U A 4 2.678 3.328 9.877 1.00 0.00 C ATOM 117 O4 U A 4 2.268 2.170 9.865 1.00 0.00 O ATOM 118 C5 U A 4 4.056 3.728 10.078 1.00 0.00 C ATOM 119 C6 U A 4 4.410 5.034 10.082 1.00 0.00 C ATOM 0 H5' U A 4 7.857 8.079 10.199 1.00 0.00 H new ATOM 0 H5'' U A 4 7.675 8.487 11.894 1.00 0.00 H new ATOM 0 H4' U A 4 5.849 9.386 10.670 1.00 0.00 H new ATOM 0 H3' U A 4 5.079 7.032 12.475 1.00 0.00 H new ATOM 0 H2' U A 4 2.736 7.586 11.834 1.00 0.00 H new ATOM 0 HO2' U A 4 2.325 9.480 10.651 1.00 0.00 H new ATOM 0 H1' U A 4 3.290 7.959 9.130 1.00 0.00 H new ATOM 0 H3 U A 4 0.825 4.155 9.515 1.00 0.00 H new ATOM 0 H5 U A 4 4.813 2.972 10.227 1.00 0.00 H new ATOM 0 H6 U A 4 5.446 5.300 10.230 1.00 0.00 H new ATOM 130 P G A 5 4.251 8.678 14.449 1.00 0.00 P ATOM 131 OP1 G A 5 4.656 9.755 15.380 1.00 0.00 O ATOM 132 OP2 G A 5 4.450 7.263 14.833 1.00 0.00 O ATOM 133 O5' G A 5 2.695 8.885 14.090 1.00 0.00 O ATOM 134 C5' G A 5 2.158 10.179 13.894 1.00 0.00 C ATOM 135 C4' G A 5 0.667 10.060 13.568 1.00 0.00 C ATOM 136 O4' G A 5 0.455 9.289 12.391 1.00 0.00 O ATOM 137 C3' G A 5 -0.087 9.321 14.652 1.00 0.00 C ATOM 138 O3' G A 5 -0.358 10.138 15.780 1.00 0.00 O ATOM 139 C2' G A 5 -1.344 8.949 13.907 1.00 0.00 C ATOM 140 O2' G A 5 -2.248 10.034 13.918 1.00 0.00 O ATOM 141 C1' G A 5 -0.858 8.724 12.481 1.00 0.00 C ATOM 142 N9 G A 5 -0.831 7.277 12.200 1.00 0.00 N ATOM 143 C8 G A 5 0.217 6.405 12.281 1.00 0.00 C ATOM 144 N7 G A 5 -0.094 5.171 11.991 1.00 0.00 N ATOM 145 C5 G A 5 -1.455 5.229 11.703 1.00 0.00 C ATOM 146 C6 G A 5 -2.364 4.194 11.325 1.00 0.00 C ATOM 147 O6 G A 5 -2.140 2.997 11.149 1.00 0.00 O ATOM 148 N1 G A 5 -3.648 4.684 11.156 1.00 0.00 N ATOM 149 C2 G A 5 -4.026 5.997 11.312 1.00 0.00 C ATOM 150 N2 G A 5 -5.316 6.277 11.096 1.00 0.00 N ATOM 151 N3 G A 5 -3.181 6.973 11.657 1.00 0.00 N ATOM 152 C4 G A 5 -1.915 6.517 11.837 1.00 0.00 C ATOM 0 H5' G A 5 2.681 10.684 13.082 1.00 0.00 H new ATOM 0 H5'' G A 5 2.300 10.784 14.789 1.00 0.00 H new ATOM 0 H4' G A 5 0.315 11.086 13.458 1.00 0.00 H new ATOM 0 H3' G A 5 0.456 8.478 15.080 1.00 0.00 H new ATOM 0 H2' G A 5 -1.853 8.087 14.338 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.911 10.735 14.514 1.00 0.00 H new ATOM 0 H1' G A 5 -1.517 9.194 11.751 1.00 0.00 H new ATOM 0 H8 G A 5 1.215 6.710 12.560 1.00 0.00 H new ATOM 0 H1 G A 5 -4.373 4.016 10.894 1.00 0.00 H new ATOM 0 H21 G A 5 -5.654 7.234 11.197 1.00 0.00 H new ATOM 0 H22 G A 5 -5.962 5.533 10.830 1.00 0.00 H new ATOM 164 P U A 6 -0.856 9.490 17.178 1.00 0.00 P ATOM 165 OP1 U A 6 -0.988 10.583 18.167 1.00 0.00 O ATOM 166 OP2 U A 6 0.021 8.337 17.476 1.00 0.00 O ATOM 167 O5' U A 6 -2.336 8.920 16.865 1.00 0.00 O ATOM 168 C5' U A 6 -3.469 9.767 16.874 1.00 0.00 C ATOM 169 C4' U A 6 -4.743 8.935 16.644 1.00 0.00 C ATOM 170 O4' U A 6 -4.750 8.319 15.350 1.00 0.00 O ATOM 171 C3' U A 6 -4.879 7.785 17.628 1.00 0.00 C ATOM 172 O3' U A 6 -5.352 8.178 18.900 1.00 0.00 O ATOM 173 C2' U A 6 -5.898 6.950 16.902 1.00 0.00 C ATOM 174 O2' U A 6 -7.169 7.559 16.998 1.00 0.00 O ATOM 175 C1' U A 6 -5.424 7.050 15.466 1.00 0.00 C ATOM 176 N1 U A 6 -4.489 5.944 15.142 1.00 0.00 N ATOM 177 C2 U A 6 -5.025 4.785 14.597 1.00 0.00 C ATOM 178 O2 U A 6 -6.234 4.635 14.434 1.00 0.00 O ATOM 179 N3 U A 6 -4.120 3.801 14.243 1.00 0.00 N ATOM 180 C4 U A 6 -2.744 3.870 14.383 1.00 0.00 C ATOM 181 O4 U A 6 -2.034 2.925 14.052 1.00 0.00 O ATOM 182 C5 U A 6 -2.271 5.119 14.939 1.00 0.00 C ATOM 183 C6 U A 6 -3.139 6.090 15.301 1.00 0.00 C ATOM 0 H5' U A 6 -3.374 10.526 16.097 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.534 10.293 17.827 1.00 0.00 H new ATOM 0 H4' U A 6 -5.556 9.651 16.761 1.00 0.00 H new ATOM 0 H3' U A 6 -3.935 7.294 17.863 1.00 0.00 H new ATOM 0 H2' U A 6 -5.985 5.933 17.285 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.164 8.214 17.727 1.00 0.00 H new ATOM 0 H1' U A 6 -6.262 6.976 14.773 1.00 0.00 H new ATOM 0 H3 U A 6 -4.502 2.945 13.841 1.00 0.00 H new ATOM 0 H5 U A 6 -1.210 5.278 15.067 1.00 0.00 H new ATOM 0 H6 U A 6 -2.756 7.005 15.727 1.00 0.00 H new ATOM 194 P C A 7 -5.282 7.154 20.153 1.00 0.00 P ATOM 195 OP1 C A 7 -5.962 7.790 21.304 1.00 0.00 O ATOM 196 OP2 C A 7 -3.880 6.703 20.289 1.00 0.00 O ATOM 197 O5' C A 7 -6.170 5.883 19.684 1.00 0.00 O ATOM 198 C5' C A 7 -7.583 5.932 19.699 1.00 0.00 C ATOM 199 C4' C A 7 -8.163 4.582 19.253 1.00 0.00 C ATOM 200 O4' C A 7 -7.759 4.227 17.925 1.00 0.00 O ATOM 201 C3' C A 7 -7.684 3.436 20.119 1.00 0.00 C ATOM 202 O3' C A 7 -8.343 3.392 21.370 1.00 0.00 O ATOM 203 C2' C A 7 -8.056 2.263 19.239 1.00 0.00 C ATOM 204 O2' C A 7 -9.446 2.025 19.322 1.00 0.00 O ATOM 205 C1' C A 7 -7.733 2.785 17.839 1.00 0.00 C ATOM 206 N1 C A 7 -6.392 2.296 17.411 1.00 0.00 N ATOM 207 C2 C A 7 -6.295 0.963 17.021 1.00 0.00 C ATOM 208 O2 C A 7 -7.291 0.243 17.017 1.00 0.00 O ATOM 209 N3 C A 7 -5.075 0.485 16.647 1.00 0.00 N ATOM 210 C4 C A 7 -3.994 1.276 16.660 1.00 0.00 C ATOM 211 N4 C A 7 -2.816 0.769 16.283 1.00 0.00 N ATOM 212 C5 C A 7 -4.078 2.649 17.056 1.00 0.00 C ATOM 213 C6 C A 7 -5.294 3.113 17.415 1.00 0.00 C ATOM 0 H5' C A 7 -7.934 6.724 19.037 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.936 6.175 20.701 1.00 0.00 H new ATOM 0 H4' C A 7 -9.242 4.721 19.324 1.00 0.00 H new ATOM 0 H3' C A 7 -6.631 3.487 20.395 1.00 0.00 H new ATOM 0 H2' C A 7 -7.543 1.339 19.507 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.826 2.558 20.051 1.00 0.00 H new ATOM 0 H1' C A 7 -8.453 2.432 17.100 1.00 0.00 H new ATOM 0 H41 C A 7 -1.983 1.357 16.287 1.00 0.00 H new ATOM 0 H42 C A 7 -2.750 -0.206 15.991 1.00 0.00 H new ATOM 0 H5 C A 7 -3.206 3.286 17.067 1.00 0.00 H new ATOM 0 H6 C A 7 -5.402 4.146 17.710 1.00 0.00 H new ATOM 225 P C A 8 -7.779 2.467 22.568 1.00 0.00 P ATOM 226 OP1 C A 8 -8.681 2.617 23.731 1.00 0.00 O ATOM 227 OP2 C A 8 -6.335 2.752 22.719 1.00 0.00 O ATOM 228 O5' C A 8 -7.931 0.964 22.008 1.00 0.00 O ATOM 229 C5' C A 8 -9.184 0.310 21.997 1.00 0.00 C ATOM 230 C4' C A 8 -9.003 -1.117 21.474 1.00 0.00 C ATOM 231 O4' C A 8 -8.513 -1.129 20.141 1.00 0.00 O ATOM 232 C3' C A 8 -7.963 -1.882 22.259 1.00 0.00 C ATOM 233 O3' C A 8 -8.438 -2.329 23.509 1.00 0.00 O ATOM 234 C2' C A 8 -7.684 -3.023 21.332 1.00 0.00 C ATOM 235 O2' C A 8 -8.709 -3.989 21.441 1.00 0.00 O ATOM 236 C1' C A 8 -7.762 -2.342 19.970 1.00 0.00 C ATOM 237 N1 C A 8 -6.385 -2.046 19.515 1.00 0.00 N ATOM 238 C2 C A 8 -5.684 -3.069 18.882 1.00 0.00 C ATOM 239 O2 C A 8 -6.233 -4.142 18.644 1.00 0.00 O ATOM 240 N3 C A 8 -4.383 -2.847 18.545 1.00 0.00 N ATOM 241 C4 C A 8 -3.790 -1.679 18.829 1.00 0.00 C ATOM 242 N4 C A 8 -2.513 -1.501 18.479 1.00 0.00 N ATOM 243 C5 C A 8 -4.495 -0.631 19.505 1.00 0.00 C ATOM 244 C6 C A 8 -5.783 -0.860 19.820 1.00 0.00 C ATOM 0 H5' C A 8 -9.886 0.855 21.366 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.606 0.291 23.002 1.00 0.00 H new ATOM 0 H4' C A 8 -9.992 -1.568 21.558 1.00 0.00 H new ATOM 0 H3' C A 8 -7.090 -1.285 22.522 1.00 0.00 H new ATOM 0 H2' C A 8 -6.742 -3.537 21.524 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.169 -3.882 22.300 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.727 -2.818 23.973 1.00 0.00 H new ATOM 0 H1' C A 8 -8.247 -2.973 19.225 1.00 0.00 H new ATOM 0 H41 C A 8 -2.045 -0.619 18.687 1.00 0.00 H new ATOM 0 H42 C A 8 -2.006 -2.247 18.004 1.00 0.00 H new ATOM 0 H5 C A 8 -4.013 0.304 19.751 1.00 0.00 H new ATOM 0 H6 C A 8 -6.351 -0.091 20.323 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.402 -9.383 13.694 1.00 0.00 O ATOM 259 C5' G B 9 1.799 -10.655 13.592 1.00 0.00 C ATOM 260 C4' G B 9 0.356 -10.591 14.098 1.00 0.00 C ATOM 261 O4' G B 9 0.301 -10.218 15.474 1.00 0.00 O ATOM 262 C3' G B 9 -0.471 -9.549 13.373 1.00 0.00 C ATOM 263 O3' G B 9 -0.873 -9.972 12.083 1.00 0.00 O ATOM 264 C2' G B 9 -1.631 -9.436 14.332 1.00 0.00 C ATOM 265 O2' G B 9 -2.462 -10.572 14.215 1.00 0.00 O ATOM 266 C1' G B 9 -0.916 -9.485 15.682 1.00 0.00 C ATOM 267 N9 G B 9 -0.602 -8.106 16.116 1.00 0.00 N ATOM 268 C8 G B 9 0.603 -7.449 16.102 1.00 0.00 C ATOM 269 N7 G B 9 0.542 -6.222 16.536 1.00 0.00 N ATOM 270 C5 G B 9 -0.799 -6.048 16.863 1.00 0.00 C ATOM 271 C6 G B 9 -1.473 -4.904 17.385 1.00 0.00 C ATOM 272 O6 G B 9 -1.004 -3.803 17.663 1.00 0.00 O ATOM 273 N1 G B 9 -2.828 -5.151 17.575 1.00 0.00 N ATOM 274 C2 G B 9 -3.461 -6.344 17.297 1.00 0.00 C ATOM 275 N2 G B 9 -4.775 -6.398 17.538 1.00 0.00 N ATOM 276 N3 G B 9 -2.833 -7.418 16.804 1.00 0.00 N ATOM 277 C4 G B 9 -1.507 -7.198 16.613 1.00 0.00 C ATOM 0 H5' G B 9 2.365 -11.383 14.173 1.00 0.00 H new ATOM 0 H5'' G B 9 1.815 -10.992 12.556 1.00 0.00 H new ATOM 0 H4' G B 9 -0.039 -11.592 13.927 1.00 0.00 H new ATOM 0 H3' G B 9 0.049 -8.614 13.165 1.00 0.00 H new ATOM 0 H2' G B 9 -2.256 -8.557 14.173 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.213 -10.494 14.840 1.00 0.00 H new ATOM 0 HO5' G B 9 3.326 -9.432 13.370 1.00 0.00 H new ATOM 0 H1' G B 9 -1.532 -9.957 16.447 1.00 0.00 H new ATOM 0 H8 G B 9 1.520 -7.908 15.762 1.00 0.00 H new ATOM 0 H1 G B 9 -3.397 -4.392 17.949 1.00 0.00 H new ATOM 0 H21 G B 9 -5.293 -7.256 17.350 1.00 0.00 H new ATOM 0 H22 G B 9 -5.259 -5.581 17.910 1.00 0.00 H new ATOM 290 P G B 10 -1.495 -8.920 11.022 1.00 0.00 P ATOM 291 OP1 G B 10 -1.786 -9.650 9.769 1.00 0.00 O ATOM 292 OP2 G B 10 -0.612 -7.733 10.991 1.00 0.00 O ATOM 293 O5' G B 10 -2.898 -8.481 11.683 1.00 0.00 O ATOM 294 C5' G B 10 -4.005 -9.355 11.681 1.00 0.00 C ATOM 295 C4' G B 10 -5.188 -8.689 12.388 1.00 0.00 C ATOM 296 O4' G B 10 -4.848 -8.305 13.724 1.00 0.00 O ATOM 297 C3' G B 10 -5.638 -7.409 11.708 1.00 0.00 C ATOM 298 O3' G B 10 -6.420 -7.645 10.552 1.00 0.00 O ATOM 299 C2' G B 10 -6.445 -6.797 12.829 1.00 0.00 C ATOM 300 O2' G B 10 -7.670 -7.484 12.985 1.00 0.00 O ATOM 301 C1' G B 10 -5.556 -7.091 14.031 1.00 0.00 C ATOM 302 N9 G B 10 -4.597 -5.974 14.207 1.00 0.00 N ATOM 303 C8 G B 10 -3.267 -5.916 13.878 1.00 0.00 C ATOM 304 N7 G B 10 -2.701 -4.775 14.152 1.00 0.00 N ATOM 305 C5 G B 10 -3.729 -4.013 14.694 1.00 0.00 C ATOM 306 C6 G B 10 -3.716 -2.670 15.172 1.00 0.00 C ATOM 307 O6 G B 10 -2.769 -1.889 15.220 1.00 0.00 O ATOM 308 N1 G B 10 -4.970 -2.273 15.620 1.00 0.00 N ATOM 309 C2 G B 10 -6.097 -3.067 15.619 1.00 0.00 C ATOM 310 N2 G B 10 -7.222 -2.515 16.086 1.00 0.00 N ATOM 311 N3 G B 10 -6.112 -4.330 15.177 1.00 0.00 N ATOM 312 C4 G B 10 -4.896 -4.736 14.729 1.00 0.00 C ATOM 0 H5' G B 10 -3.746 -10.287 12.184 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.277 -9.610 10.657 1.00 0.00 H new ATOM 0 H4' G B 10 -5.979 -9.439 12.362 1.00 0.00 H new ATOM 0 H3' G B 10 -4.828 -6.789 11.325 1.00 0.00 H new ATOM 0 H2' G B 10 -6.688 -5.745 12.676 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.182 -7.078 13.715 1.00 0.00 H new ATOM 0 H1' G B 10 -6.133 -7.197 14.949 1.00 0.00 H new ATOM 0 H8 G B 10 -2.736 -6.743 13.431 1.00 0.00 H new ATOM 0 H1 G B 10 -5.064 -1.322 15.977 1.00 0.00 H new ATOM 0 H21 G B 10 -8.085 -3.058 16.108 1.00 0.00 H new ATOM 0 H22 G B 10 -7.217 -1.551 16.420 1.00 0.00 H new ATOM 324 P A B 11 -6.669 -6.471 9.461 1.00 0.00 P ATOM 325 OP1 A B 11 -7.549 -7.011 8.401 1.00 0.00 O ATOM 326 OP2 A B 11 -5.351 -5.902 9.099 1.00 0.00 O ATOM 327 O5' A B 11 -7.492 -5.342 10.268 1.00 0.00 O ATOM 328 C5' A B 11 -8.836 -5.554 10.641 1.00 0.00 C ATOM 329 C4' A B 11 -9.357 -4.345 11.421 1.00 0.00 C ATOM 330 O4' A B 11 -8.546 -4.078 12.567 1.00 0.00 O ATOM 331 C3' A B 11 -9.350 -3.054 10.627 1.00 0.00 C ATOM 332 O3' A B 11 -10.451 -2.957 9.745 1.00 0.00 O ATOM 333 C2' A B 11 -9.443 -2.039 11.729 1.00 0.00 C ATOM 334 O2' A B 11 -10.768 -1.985 12.212 1.00 0.00 O ATOM 335 C1' A B 11 -8.544 -2.656 12.794 1.00 0.00 C ATOM 336 N9 A B 11 -7.166 -2.124 12.661 1.00 0.00 N ATOM 337 C8 A B 11 -6.025 -2.764 12.246 1.00 0.00 C ATOM 338 N7 A B 11 -4.952 -2.024 12.299 1.00 0.00 N ATOM 339 C5 A B 11 -5.416 -0.800 12.766 1.00 0.00 C ATOM 340 C6 A B 11 -4.773 0.421 13.037 1.00 0.00 C ATOM 341 N6 A B 11 -3.457 0.607 12.881 1.00 0.00 N ATOM 342 N1 A B 11 -5.534 1.446 13.460 1.00 0.00 N ATOM 343 C2 A B 11 -6.842 1.260 13.615 1.00 0.00 C ATOM 344 N3 A B 11 -7.559 0.162 13.410 1.00 0.00 N ATOM 345 C4 A B 11 -6.767 -0.847 12.977 1.00 0.00 C ATOM 0 H5' A B 11 -8.915 -6.453 11.252 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.448 -5.716 9.753 1.00 0.00 H new ATOM 0 H4' A B 11 -10.378 -4.623 11.680 1.00 0.00 H new ATOM 0 H3' A B 11 -8.483 -2.944 9.976 1.00 0.00 H new ATOM 0 H2' A B 11 -9.165 -1.028 11.431 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.385 -2.268 11.506 1.00 0.00 H new ATOM 0 H1' A B 11 -8.902 -2.419 13.796 1.00 0.00 H new ATOM 0 H8 A B 11 -6.016 -3.789 11.906 1.00 0.00 H new ATOM 0 H61 A B 11 -3.042 1.514 13.092 1.00 0.00 H new ATOM 0 H62 A B 11 -2.869 -0.159 12.551 1.00 0.00 H new ATOM 0 H2 A B 11 -7.397 2.122 13.955 1.00 0.00 H new ATOM 357 P U B 12 -10.226 -2.662 8.184 1.00 0.00 P ATOM 358 OP1 U B 12 -11.523 -2.798 7.486 1.00 0.00 O ATOM 359 OP2 U B 12 -9.049 -3.430 7.723 1.00 0.00 O ATOM 360 O5' U B 12 -9.836 -1.103 8.237 1.00 0.00 O ATOM 361 C5' U B 12 -10.810 -0.136 8.577 1.00 0.00 C ATOM 362 C4' U B 12 -10.140 1.211 8.845 1.00 0.00 C ATOM 363 O4' U B 12 -9.262 1.129 9.965 1.00 0.00 O ATOM 364 C3' U B 12 -9.277 1.683 7.696 1.00 0.00 C ATOM 365 O3' U B 12 -10.046 2.229 6.639 1.00 0.00 O ATOM 366 C2' U B 12 -8.445 2.727 8.402 1.00 0.00 C ATOM 367 O2' U B 12 -9.213 3.895 8.594 1.00 0.00 O ATOM 368 C1' U B 12 -8.205 2.077 9.768 1.00 0.00 C ATOM 369 N1 U B 12 -6.888 1.393 9.783 1.00 0.00 N ATOM 370 C2 U B 12 -5.773 2.184 10.007 1.00 0.00 C ATOM 371 O2 U B 12 -5.864 3.395 10.191 1.00 0.00 O ATOM 372 N3 U B 12 -4.548 1.535 10.013 1.00 0.00 N ATOM 373 C4 U B 12 -4.347 0.179 9.808 1.00 0.00 C ATOM 374 O4 U B 12 -3.214 -0.294 9.821 1.00 0.00 O ATOM 375 C5 U B 12 -5.567 -0.574 9.597 1.00 0.00 C ATOM 376 C6 U B 12 -6.775 0.039 9.594 1.00 0.00 C ATOM 0 H5' U B 12 -11.362 -0.459 9.460 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.533 -0.037 7.768 1.00 0.00 H new ATOM 0 H4' U B 12 -10.966 1.903 9.010 1.00 0.00 H new ATOM 0 H3' U B 12 -8.701 0.900 7.203 1.00 0.00 H new ATOM 0 H2' U B 12 -7.540 3.005 7.862 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.633 4.621 8.905 1.00 0.00 H new ATOM 0 H1' U B 12 -8.198 2.823 10.563 1.00 0.00 H new ATOM 0 H3 U B 12 -3.721 2.107 10.184 1.00 0.00 H new ATOM 0 H5 U B 12 -5.512 -1.641 9.440 1.00 0.00 H new ATOM 0 H6 U B 12 -7.667 -0.550 9.440 1.00 0.00 H new ATOM 387 P G B 13 -9.355 2.635 5.239 1.00 0.00 P ATOM 388 OP1 G B 13 -10.422 3.049 4.301 1.00 0.00 O ATOM 389 OP2 G B 13 -8.422 1.552 4.859 1.00 0.00 O ATOM 390 O5' G B 13 -8.485 3.938 5.613 1.00 0.00 O ATOM 391 C5' G B 13 -9.105 5.192 5.821 1.00 0.00 C ATOM 392 C4' G B 13 -8.037 6.231 6.169 1.00 0.00 C ATOM 393 O4' G B 13 -7.322 5.863 7.344 1.00 0.00 O ATOM 394 C3' G B 13 -6.979 6.334 5.090 1.00 0.00 C ATOM 395 O3' G B 13 -7.412 7.105 3.982 1.00 0.00 O ATOM 396 C2' G B 13 -5.871 7.017 5.854 1.00 0.00 C ATOM 397 O2' G B 13 -6.089 8.413 5.870 1.00 0.00 O ATOM 398 C1' G B 13 -6.028 6.473 7.268 1.00 0.00 C ATOM 399 N9 G B 13 -4.965 5.486 7.530 1.00 0.00 N ATOM 400 C8 G B 13 -5.009 4.125 7.420 1.00 0.00 C ATOM 401 N7 G B 13 -3.881 3.531 7.700 1.00 0.00 N ATOM 402 C5 G B 13 -3.021 4.580 8.012 1.00 0.00 C ATOM 403 C6 G B 13 -1.643 4.563 8.389 1.00 0.00 C ATOM 404 O6 G B 13 -0.898 3.597 8.545 1.00 0.00 O ATOM 405 N1 G B 13 -1.156 5.845 8.586 1.00 0.00 N ATOM 406 C2 G B 13 -1.886 7.003 8.455 1.00 0.00 C ATOM 407 N2 G B 13 -1.238 8.147 8.695 1.00 0.00 N ATOM 408 N3 G B 13 -3.176 7.027 8.110 1.00 0.00 N ATOM 409 C4 G B 13 -3.677 5.782 7.902 1.00 0.00 C ATOM 0 H5' G B 13 -9.836 5.120 6.627 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.647 5.496 4.925 1.00 0.00 H new ATOM 0 H4' G B 13 -8.579 7.169 6.293 1.00 0.00 H new ATOM 0 H3' G B 13 -6.702 5.380 4.641 1.00 0.00 H new ATOM 0 H2' G B 13 -4.886 6.840 5.423 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.816 8.638 5.253 1.00 0.00 H new ATOM 0 H1' G B 13 -5.943 7.263 8.014 1.00 0.00 H new ATOM 0 H8 G B 13 -5.899 3.588 7.127 1.00 0.00 H new ATOM 0 H1 G B 13 -0.175 5.938 8.850 1.00 0.00 H new ATOM 0 H21 G B 13 -1.728 9.038 8.613 1.00 0.00 H new ATOM 0 H22 G B 13 -0.253 8.129 8.960 1.00 0.00 H new ATOM 421 P U B 14 -6.611 7.065 2.575 1.00 0.00 P ATOM 422 OP1 U B 14 -7.333 7.928 1.613 1.00 0.00 O ATOM 423 OP2 U B 14 -6.363 5.646 2.240 1.00 0.00 O ATOM 424 O5' U B 14 -5.185 7.756 2.892 1.00 0.00 O ATOM 425 C5' U B 14 -5.036 9.163 2.912 1.00 0.00 C ATOM 426 C4' U B 14 -3.559 9.527 3.139 1.00 0.00 C ATOM 427 O4' U B 14 -3.095 9.089 4.423 1.00 0.00 O ATOM 428 C3' U B 14 -2.630 8.861 2.137 1.00 0.00 C ATOM 429 O3' U B 14 -2.602 9.500 0.877 1.00 0.00 O ATOM 430 C2' U B 14 -1.321 9.023 2.858 1.00 0.00 C ATOM 431 O2' U B 14 -0.899 10.368 2.784 1.00 0.00 O ATOM 432 C1' U B 14 -1.707 8.721 4.292 1.00 0.00 C ATOM 433 N1 U B 14 -1.531 7.279 4.595 1.00 0.00 N ATOM 434 C2 U B 14 -0.316 6.878 5.130 1.00 0.00 C ATOM 435 O2 U B 14 0.618 7.659 5.297 1.00 0.00 O ATOM 436 N3 U B 14 -0.210 5.541 5.470 1.00 0.00 N ATOM 437 C4 U B 14 -1.197 4.581 5.326 1.00 0.00 C ATOM 438 O4 U B 14 -0.985 3.415 5.645 1.00 0.00 O ATOM 439 C5 U B 14 -2.436 5.090 4.780 1.00 0.00 C ATOM 440 C6 U B 14 -2.558 6.390 4.432 1.00 0.00 C ATOM 0 H5' U B 14 -5.651 9.592 3.703 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.384 9.588 1.971 1.00 0.00 H new ATOM 0 H4' U B 14 -3.531 10.612 3.041 1.00 0.00 H new ATOM 0 H3' U B 14 -2.916 7.840 1.884 1.00 0.00 H new ATOM 0 H2' U B 14 -0.522 8.399 2.458 1.00 0.00 H new ATOM 0 HO2' U B 14 -0.046 10.470 3.256 1.00 0.00 H new ATOM 0 H1' U B 14 -1.077 9.274 4.988 1.00 0.00 H new ATOM 0 H3 U B 14 0.679 5.234 5.864 1.00 0.00 H new ATOM 0 H5 U B 14 -3.275 4.422 4.649 1.00 0.00 H new ATOM 0 H6 U B 14 -3.492 6.737 4.014 1.00 0.00 H new ATOM 451 P C B 15 -1.897 8.781 -0.391 1.00 0.00 P ATOM 452 OP1 C B 15 -1.912 9.732 -1.525 1.00 0.00 O ATOM 453 OP2 C B 15 -2.509 7.444 -0.549 1.00 0.00 O ATOM 454 O5' C B 15 -0.358 8.571 0.070 1.00 0.00 O ATOM 455 C5' C B 15 0.559 9.647 0.067 1.00 0.00 C ATOM 456 C4' C B 15 1.951 9.155 0.491 1.00 0.00 C ATOM 457 O4' C B 15 1.957 8.601 1.812 1.00 0.00 O ATOM 458 C3' C B 15 2.459 8.039 -0.396 1.00 0.00 C ATOM 459 O3' C B 15 2.917 8.512 -1.648 1.00 0.00 O ATOM 460 C2' C B 15 3.585 7.506 0.461 1.00 0.00 C ATOM 461 O2' C B 15 4.703 8.366 0.371 1.00 0.00 O ATOM 462 C1' C B 15 3.004 7.606 1.873 1.00 0.00 C ATOM 463 N1 C B 15 2.463 6.284 2.296 1.00 0.00 N ATOM 464 C2 C B 15 3.382 5.313 2.692 1.00 0.00 C ATOM 465 O2 C B 15 4.585 5.562 2.700 1.00 0.00 O ATOM 466 N3 C B 15 2.910 4.091 3.068 1.00 0.00 N ATOM 467 C4 C B 15 1.596 3.826 3.051 1.00 0.00 C ATOM 468 N4 C B 15 1.175 2.616 3.429 1.00 0.00 N ATOM 469 C5 C B 15 0.641 4.812 2.649 1.00 0.00 C ATOM 470 C6 C B 15 1.120 6.022 2.288 1.00 0.00 C ATOM 0 H5' C B 15 0.218 10.428 0.747 1.00 0.00 H new ATOM 0 H5'' C B 15 0.609 10.090 -0.928 1.00 0.00 H new ATOM 0 H4' C B 15 2.578 10.044 0.425 1.00 0.00 H new ATOM 0 H3' C B 15 1.706 7.300 -0.671 1.00 0.00 H new ATOM 0 H2' C B 15 3.910 6.505 0.176 1.00 0.00 H new ATOM 0 HO2' C B 15 4.545 9.036 -0.326 1.00 0.00 H new ATOM 0 H1' C B 15 3.762 7.889 2.603 1.00 0.00 H new ATOM 0 H41 C B 15 0.179 2.398 3.422 1.00 0.00 H new ATOM 0 H42 C B 15 1.850 1.911 3.725 1.00 0.00 H new ATOM 0 H5 C B 15 -0.418 4.598 2.635 1.00 0.00 H new ATOM 0 H6 C B 15 0.430 6.797 1.988 1.00 0.00 H new ATOM 482 P C B 16 3.217 7.487 -2.859 1.00 0.00 P ATOM 483 OP1 C B 16 3.661 8.274 -4.031 1.00 0.00 O ATOM 484 OP2 C B 16 2.057 6.578 -2.983 1.00 0.00 O ATOM 485 O5' C B 16 4.471 6.622 -2.335 1.00 0.00 O ATOM 486 C5' C B 16 5.782 7.148 -2.357 1.00 0.00 C ATOM 487 C4' C B 16 6.760 6.082 -1.857 1.00 0.00 C ATOM 488 O4' C B 16 6.487 5.709 -0.515 1.00 0.00 O ATOM 489 C3' C B 16 6.637 4.791 -2.633 1.00 0.00 C ATOM 490 O3' C B 16 7.243 4.854 -3.907 1.00 0.00 O ATOM 491 C2' C B 16 7.346 3.839 -1.722 1.00 0.00 C ATOM 492 O2' C B 16 8.742 3.988 -1.867 1.00 0.00 O ATOM 493 C1' C B 16 6.917 4.348 -0.350 1.00 0.00 C ATOM 494 N1 C B 16 5.803 3.504 0.140 1.00 0.00 N ATOM 495 C2 C B 16 6.131 2.329 0.809 1.00 0.00 C ATOM 496 O2 C B 16 7.306 2.058 1.048 1.00 0.00 O ATOM 497 N3 C B 16 5.121 1.495 1.182 1.00 0.00 N ATOM 498 C4 C B 16 3.845 1.794 0.903 1.00 0.00 C ATOM 499 N4 C B 16 2.884 0.949 1.288 1.00 0.00 N ATOM 500 C5 C B 16 3.498 2.992 0.197 1.00 0.00 C ATOM 501 C6 C B 16 4.507 3.810 -0.158 1.00 0.00 C ATOM 0 H5' C B 16 5.841 8.036 -1.728 1.00 0.00 H new ATOM 0 H5'' C B 16 6.046 7.456 -3.369 1.00 0.00 H new ATOM 0 H4' C B 16 7.745 6.536 -1.971 1.00 0.00 H new ATOM 0 H3' C B 16 5.608 4.516 -2.863 1.00 0.00 H new ATOM 0 H2' C B 16 7.118 2.789 -1.906 1.00 0.00 H new ATOM 0 HO2' C B 16 8.945 4.298 -2.774 1.00 0.00 H new ATOM 0 HO3' C B 16 7.135 3.993 -4.363 1.00 0.00 H new ATOM 0 H1' C B 16 7.731 4.302 0.373 1.00 0.00 H new ATOM 0 H41 C B 16 1.907 1.160 1.084 1.00 0.00 H new ATOM 0 H42 C B 16 3.127 0.093 1.786 1.00 0.00 H new ATOM 0 H5 C B 16 2.471 3.229 -0.040 1.00 0.00 H new ATOM 0 H6 C B 16 4.287 4.725 -0.688 1.00 0.00 H new TER 514 C B 16