USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 153 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 2:sc= -0.53 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0801 USER MOD Single : A 2 G O2' : rot -10:sc= -0.0285 USER MOD Single : A 3 C O2' : rot -24:sc= 0.446 USER MOD Single : A 4 C O2' : rot -6:sc= -0.469 USER MOD Single : A 5 U O2' : rot -10:sc= 0.291 USER MOD Single : A 6 G O2' : rot -129:sc= -6.89! USER MOD Single : A 7 A O2' : rot 132:sc= -6.37! USER MOD Single : A 8 U O2' : rot 138:sc= 0.67 USER MOD Single : A 9 A O2' : rot -80:sc= 0.932 USER MOD Single : A 10 G O2' : rot -74:sc= 0.769 USER MOD Single : A 11 G O2' : rot -23:sc= 0.416 USER MOD Single : A 12 G O2' : rot -27:sc= 0.422 USER MOD Single : A 13 U O2' : rot -22:sc= -0.456 USER MOD Single : A 14 C O2' : rot -29:sc= 0.208 USER MOD Single : A 14 C O3' : rot 180:sc= 0.176 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.179 1.184 5.814 1.00 0.00 O ATOM 2 C5' G A 1 -3.599 0.929 7.158 1.00 0.00 C ATOM 3 C4' G A 1 -3.129 -0.439 7.644 1.00 0.00 C ATOM 4 O4' G A 1 -3.895 -1.459 6.995 1.00 0.00 O ATOM 5 C3' G A 1 -1.689 -0.775 7.302 1.00 0.00 C ATOM 6 O3' G A 1 -0.887 -0.393 8.425 1.00 0.00 O ATOM 7 C2' G A 1 -1.690 -2.295 7.242 1.00 0.00 C ATOM 8 O2' G A 1 -1.572 -2.854 8.553 1.00 0.00 O ATOM 9 C1' G A 1 -3.071 -2.588 6.658 1.00 0.00 C ATOM 10 N9 G A 1 -3.034 -2.733 5.189 1.00 0.00 N ATOM 11 C8 G A 1 -3.252 -1.781 4.226 1.00 0.00 C ATOM 12 N7 G A 1 -3.140 -2.232 3.009 1.00 0.00 N ATOM 13 C5 G A 1 -2.826 -3.576 3.175 1.00 0.00 C ATOM 14 C6 G A 1 -2.584 -4.583 2.202 1.00 0.00 C ATOM 15 O6 G A 1 -2.605 -4.479 0.976 1.00 0.00 O ATOM 16 N1 G A 1 -2.302 -5.805 2.790 1.00 0.00 N ATOM 17 C2 G A 1 -2.257 -6.037 4.145 1.00 0.00 C ATOM 18 N2 G A 1 -1.966 -7.277 4.540 1.00 0.00 N ATOM 19 N3 G A 1 -2.481 -5.098 5.069 1.00 0.00 N ATOM 20 C4 G A 1 -2.760 -3.895 4.510 1.00 0.00 C ATOM 0 H5' G A 1 -4.686 0.983 7.216 1.00 0.00 H new ATOM 0 H5'' G A 1 -3.206 1.704 7.816 1.00 0.00 H new ATOM 0 H4' G A 1 -3.244 -0.398 8.727 1.00 0.00 H new ATOM 0 H3' G A 1 -1.324 -0.296 6.393 1.00 0.00 H new ATOM 0 H2' G A 1 -0.865 -2.714 6.665 1.00 0.00 H new ATOM 0 HO2' G A 1 -1.540 -2.132 9.215 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.498 2.067 5.534 1.00 0.00 H new ATOM 0 H1' G A 1 -3.451 -3.526 7.062 1.00 0.00 H new ATOM 0 H8 G A 1 -3.494 -0.754 4.455 1.00 0.00 H new ATOM 0 H1 G A 1 -2.113 -6.593 2.171 1.00 0.00 H new ATOM 0 H21 G A 1 -1.921 -7.498 5.535 1.00 0.00 H new ATOM 0 H22 G A 1 -1.789 -8.004 3.847 1.00 0.00 H new ATOM 33 P G A 2 0.393 0.567 8.236 1.00 0.00 P ATOM 34 OP1 G A 2 0.190 1.774 9.070 1.00 0.00 O ATOM 35 OP2 G A 2 0.658 0.711 6.787 1.00 0.00 O ATOM 36 O5' G A 2 1.592 -0.295 8.885 1.00 0.00 O ATOM 37 C5' G A 2 1.362 -1.612 9.398 1.00 0.00 C ATOM 38 C4' G A 2 2.601 -2.492 9.261 1.00 0.00 C ATOM 39 O4' G A 2 2.199 -3.864 9.195 1.00 0.00 O ATOM 40 C3' G A 2 3.397 -2.273 7.986 1.00 0.00 C ATOM 41 O3' G A 2 4.422 -1.321 8.288 1.00 0.00 O ATOM 42 C2' G A 2 4.072 -3.619 7.769 1.00 0.00 C ATOM 43 O2' G A 2 5.238 -3.740 8.589 1.00 0.00 O ATOM 44 C1' G A 2 2.987 -4.588 8.233 1.00 0.00 C ATOM 45 N9 G A 2 2.105 -5.012 7.126 1.00 0.00 N ATOM 46 C8 G A 2 0.766 -4.770 6.960 1.00 0.00 C ATOM 47 N7 G A 2 0.275 -5.269 5.862 1.00 0.00 N ATOM 48 C5 G A 2 1.363 -5.884 5.254 1.00 0.00 C ATOM 49 C6 G A 2 1.438 -6.595 4.027 1.00 0.00 C ATOM 50 O6 G A 2 0.541 -6.815 3.219 1.00 0.00 O ATOM 51 N1 G A 2 2.720 -7.056 3.782 1.00 0.00 N ATOM 52 C2 G A 2 3.802 -6.861 4.608 1.00 0.00 C ATOM 53 N2 G A 2 4.965 -7.375 4.210 1.00 0.00 N ATOM 54 N3 G A 2 3.744 -6.193 5.763 1.00 0.00 N ATOM 55 C4 G A 2 2.494 -5.735 6.021 1.00 0.00 C ATOM 0 H5' G A 2 0.529 -2.070 8.865 1.00 0.00 H new ATOM 0 H5'' G A 2 1.074 -1.549 10.447 1.00 0.00 H new ATOM 0 H4' G A 2 3.217 -2.235 10.123 1.00 0.00 H new ATOM 0 H3' G A 2 2.803 -1.933 7.138 1.00 0.00 H new ATOM 0 H2' G A 2 4.412 -3.785 6.747 1.00 0.00 H new ATOM 0 HO2' G A 2 5.444 -2.872 8.995 1.00 0.00 H new ATOM 0 H1' G A 2 3.446 -5.489 8.640 1.00 0.00 H new ATOM 0 H8 G A 2 0.173 -4.217 7.674 1.00 0.00 H new ATOM 0 H1 G A 2 2.874 -7.581 2.921 1.00 0.00 H new ATOM 0 H21 G A 2 5.798 -7.258 4.787 1.00 0.00 H new ATOM 0 H22 G A 2 5.022 -7.885 3.329 1.00 0.00 H new ATOM 67 P C A 3 4.775 -0.140 7.252 1.00 0.00 P ATOM 68 OP1 C A 3 5.724 0.785 7.910 1.00 0.00 O ATOM 69 OP2 C A 3 3.507 0.381 6.692 1.00 0.00 O ATOM 70 O5' C A 3 5.558 -0.922 6.084 1.00 0.00 O ATOM 71 C5' C A 3 6.736 -1.679 6.378 1.00 0.00 C ATOM 72 C4' C A 3 7.129 -2.583 5.215 1.00 0.00 C ATOM 73 O4' C A 3 6.191 -3.658 5.115 1.00 0.00 O ATOM 74 C3' C A 3 7.080 -1.924 3.849 1.00 0.00 C ATOM 75 O3' C A 3 8.386 -1.397 3.591 1.00 0.00 O ATOM 76 C2' C A 3 6.867 -3.101 2.906 1.00 0.00 C ATOM 77 O2' C A 3 8.112 -3.734 2.597 1.00 0.00 O ATOM 78 C1' C A 3 5.986 -4.033 3.740 1.00 0.00 C ATOM 79 N1 C A 3 4.547 -3.897 3.414 1.00 0.00 N ATOM 80 C2 C A 3 4.040 -4.694 2.396 1.00 0.00 C ATOM 81 O2 C A 3 4.777 -5.469 1.789 1.00 0.00 O ATOM 82 N3 C A 3 2.717 -4.600 2.090 1.00 0.00 N ATOM 83 C4 C A 3 1.919 -3.755 2.755 1.00 0.00 C ATOM 84 N4 C A 3 0.630 -3.714 2.415 1.00 0.00 N ATOM 85 C5 C A 3 2.432 -2.928 3.801 1.00 0.00 C ATOM 86 C6 C A 3 3.743 -3.029 4.097 1.00 0.00 C ATOM 0 H5' C A 3 6.567 -2.284 7.269 1.00 0.00 H new ATOM 0 H5'' C A 3 7.558 -1.000 6.605 1.00 0.00 H new ATOM 0 H4' C A 3 8.153 -2.881 5.439 1.00 0.00 H new ATOM 0 H3' C A 3 6.328 -1.140 3.755 1.00 0.00 H new ATOM 0 H2' C A 3 6.429 -2.819 1.949 1.00 0.00 H new ATOM 0 HO2' C A 3 8.844 -3.095 2.725 1.00 0.00 H new ATOM 0 H1' C A 3 6.258 -5.068 3.536 1.00 0.00 H new ATOM 0 H41 C A 3 -0.006 -3.082 2.901 1.00 0.00 H new ATOM 0 H42 C A 3 0.280 -4.315 1.669 1.00 0.00 H new ATOM 0 H5 C A 3 1.790 -2.244 4.337 1.00 0.00 H new ATOM 0 H6 C A 3 4.162 -2.417 4.882 1.00 0.00 H new ATOM 98 P C A 4 8.602 -0.232 2.500 1.00 0.00 P ATOM 99 OP1 C A 4 10.044 0.099 2.457 1.00 0.00 O ATOM 100 OP2 C A 4 7.608 0.833 2.757 1.00 0.00 O ATOM 101 O5' C A 4 8.205 -0.968 1.124 1.00 0.00 O ATOM 102 C5' C A 4 9.210 -1.366 0.184 1.00 0.00 C ATOM 103 C4' C A 4 8.674 -1.337 -1.244 1.00 0.00 C ATOM 104 O4' C A 4 7.688 -2.366 -1.397 1.00 0.00 O ATOM 105 C3' C A 4 7.936 -0.063 -1.616 1.00 0.00 C ATOM 106 O3' C A 4 8.890 0.825 -2.207 1.00 0.00 O ATOM 107 C2' C A 4 6.999 -0.529 -2.718 1.00 0.00 C ATOM 108 O2' C A 4 7.698 -0.662 -3.959 1.00 0.00 O ATOM 109 C1' C A 4 6.580 -1.896 -2.187 1.00 0.00 C ATOM 110 N1 C A 4 5.396 -1.795 -1.311 1.00 0.00 N ATOM 111 C2 C A 4 4.151 -2.062 -1.862 1.00 0.00 C ATOM 112 O2 C A 4 4.054 -2.403 -3.040 1.00 0.00 O ATOM 113 N3 C A 4 3.050 -1.939 -1.070 1.00 0.00 N ATOM 114 C4 C A 4 3.167 -1.570 0.212 1.00 0.00 C ATOM 115 N4 C A 4 2.052 -1.465 0.934 1.00 0.00 N ATOM 116 C5 C A 4 4.448 -1.296 0.783 1.00 0.00 C ATOM 117 C6 C A 4 5.524 -1.421 -0.005 1.00 0.00 C ATOM 0 H5' C A 4 9.558 -2.371 0.424 1.00 0.00 H new ATOM 0 H5'' C A 4 10.071 -0.702 0.265 1.00 0.00 H new ATOM 0 H4' C A 4 9.558 -1.447 -1.872 1.00 0.00 H new ATOM 0 H3' C A 4 7.435 0.428 -0.781 1.00 0.00 H new ATOM 0 H2' C A 4 6.172 0.151 -2.923 1.00 0.00 H new ATOM 0 HO2' C A 4 8.614 -0.328 -3.856 1.00 0.00 H new ATOM 0 H1' C A 4 6.328 -2.560 -3.013 1.00 0.00 H new ATOM 0 H41 C A 4 2.103 -1.186 1.914 1.00 0.00 H new ATOM 0 H42 C A 4 1.147 -1.663 0.507 1.00 0.00 H new ATOM 0 H5 C A 4 4.545 -0.998 1.816 1.00 0.00 H new ATOM 0 H6 C A 4 6.506 -1.223 0.399 1.00 0.00 H new ATOM 129 P U A 5 8.889 2.395 -1.841 1.00 0.00 P ATOM 130 OP1 U A 5 10.145 2.987 -2.348 1.00 0.00 O ATOM 131 OP2 U A 5 8.528 2.537 -0.411 1.00 0.00 O ATOM 132 O5' U A 5 7.669 2.962 -2.728 1.00 0.00 O ATOM 133 C5' U A 5 7.580 2.659 -4.125 1.00 0.00 C ATOM 134 C4' U A 5 6.206 2.987 -4.681 1.00 0.00 C ATOM 135 O4' U A 5 5.301 1.948 -4.314 1.00 0.00 O ATOM 136 C3' U A 5 5.580 4.253 -4.125 1.00 0.00 C ATOM 137 O3' U A 5 5.912 5.318 -5.022 1.00 0.00 O ATOM 138 C2' U A 5 4.093 3.985 -4.266 1.00 0.00 C ATOM 139 O2' U A 5 3.650 4.259 -5.598 1.00 0.00 O ATOM 140 C1' U A 5 4.017 2.489 -3.973 1.00 0.00 C ATOM 141 N1 U A 5 3.743 2.204 -2.547 1.00 0.00 N ATOM 142 C2 U A 5 2.418 2.083 -2.160 1.00 0.00 C ATOM 143 O2 U A 5 1.481 2.211 -2.946 1.00 0.00 O ATOM 144 N3 U A 5 2.205 1.812 -0.821 1.00 0.00 N ATOM 145 C4 U A 5 3.181 1.655 0.145 1.00 0.00 C ATOM 146 O4 U A 5 2.863 1.409 1.306 1.00 0.00 O ATOM 147 C5 U A 5 4.536 1.797 -0.337 1.00 0.00 C ATOM 148 C6 U A 5 4.767 2.063 -1.646 1.00 0.00 C ATOM 0 H5' U A 5 7.794 1.602 -4.283 1.00 0.00 H new ATOM 0 H5'' U A 5 8.338 3.223 -4.669 1.00 0.00 H new ATOM 0 H4' U A 5 6.360 3.107 -5.753 1.00 0.00 H new ATOM 0 H3' U A 5 5.893 4.502 -3.111 1.00 0.00 H new ATOM 0 H2' U A 5 3.470 4.600 -3.617 1.00 0.00 H new ATOM 0 HO2' U A 5 4.366 4.707 -6.095 1.00 0.00 H new ATOM 0 H1' U A 5 3.201 2.048 -4.546 1.00 0.00 H new ATOM 0 H3 U A 5 1.236 1.719 -0.517 1.00 0.00 H new ATOM 0 H5 U A 5 5.366 1.691 0.346 1.00 0.00 H new ATOM 0 H6 U A 5 5.786 2.167 -1.989 1.00 0.00 H new ATOM 159 P G A 6 6.293 6.778 -4.456 1.00 0.00 P ATOM 160 OP1 G A 6 6.798 7.594 -5.584 1.00 0.00 O ATOM 161 OP2 G A 6 7.124 6.604 -3.243 1.00 0.00 O ATOM 162 O5' G A 6 4.862 7.367 -4.008 1.00 0.00 O ATOM 163 C5' G A 6 3.803 7.519 -4.960 1.00 0.00 C ATOM 164 C4' G A 6 2.435 7.360 -4.305 1.00 0.00 C ATOM 165 O4' G A 6 2.421 6.171 -3.528 1.00 0.00 O ATOM 166 C3' G A 6 2.073 8.444 -3.301 1.00 0.00 C ATOM 167 O3' G A 6 1.281 9.415 -3.995 1.00 0.00 O ATOM 168 C2' G A 6 1.162 7.737 -2.287 1.00 0.00 C ATOM 169 O2' G A 6 -0.199 8.049 -2.517 1.00 0.00 O ATOM 170 C1' G A 6 1.380 6.253 -2.554 1.00 0.00 C ATOM 171 N9 G A 6 1.799 5.547 -1.329 1.00 0.00 N ATOM 172 C8 G A 6 3.068 5.265 -0.895 1.00 0.00 C ATOM 173 N7 G A 6 3.108 4.678 0.268 1.00 0.00 N ATOM 174 C5 G A 6 1.771 4.563 0.632 1.00 0.00 C ATOM 175 C6 G A 6 1.189 4.004 1.804 1.00 0.00 C ATOM 176 O6 G A 6 1.756 3.499 2.770 1.00 0.00 O ATOM 177 N1 G A 6 -0.194 4.087 1.777 1.00 0.00 N ATOM 178 C2 G A 6 -0.931 4.637 0.754 1.00 0.00 C ATOM 179 N2 G A 6 -2.258 4.644 0.898 1.00 0.00 N ATOM 180 N3 G A 6 -0.396 5.163 -0.350 1.00 0.00 N ATOM 181 C4 G A 6 0.958 5.092 -0.341 1.00 0.00 C ATOM 0 H5' G A 6 3.916 6.779 -5.753 1.00 0.00 H new ATOM 0 H5'' G A 6 3.871 8.501 -5.428 1.00 0.00 H new ATOM 0 H4' G A 6 1.737 7.382 -5.142 1.00 0.00 H new ATOM 0 H3' G A 6 2.940 8.917 -2.839 1.00 0.00 H new ATOM 0 H2' G A 6 1.393 8.037 -1.265 1.00 0.00 H new ATOM 0 HO2' G A 6 -0.613 8.345 -1.679 1.00 0.00 H new ATOM 0 H1' G A 6 0.456 5.788 -2.898 1.00 0.00 H new ATOM 0 H8 G A 6 3.953 5.507 -1.464 1.00 0.00 H new ATOM 0 H1 G A 6 -0.704 3.712 2.576 1.00 0.00 H new ATOM 0 H21 G A 6 -2.848 5.041 0.167 1.00 0.00 H new ATOM 0 H22 G A 6 -2.682 4.252 1.739 1.00 0.00 H new ATOM 193 P A A 7 0.907 10.825 -3.298 1.00 0.00 P ATOM 194 OP1 A A 7 1.013 11.888 -4.321 1.00 0.00 O ATOM 195 OP2 A A 7 1.666 10.940 -2.032 1.00 0.00 O ATOM 196 O5' A A 7 -0.649 10.627 -2.936 1.00 0.00 O ATOM 197 C5' A A 7 -1.443 9.717 -3.701 1.00 0.00 C ATOM 198 C4' A A 7 -2.749 9.360 -3.024 1.00 0.00 C ATOM 199 O4' A A 7 -2.469 8.489 -1.918 1.00 0.00 O ATOM 200 C3' A A 7 -3.498 10.528 -2.418 1.00 0.00 C ATOM 201 O3' A A 7 -4.858 10.062 -2.312 1.00 0.00 O ATOM 202 C2' A A 7 -2.855 10.633 -1.034 1.00 0.00 C ATOM 203 O2' A A 7 -3.723 11.263 -0.105 1.00 0.00 O ATOM 204 C1' A A 7 -2.640 9.167 -0.669 1.00 0.00 C ATOM 205 N9 A A 7 -1.421 8.952 0.147 1.00 0.00 N ATOM 206 C8 A A 7 -0.165 9.477 -0.032 1.00 0.00 C ATOM 207 N7 A A 7 0.703 9.082 0.856 1.00 0.00 N ATOM 208 C5 A A 7 -0.025 8.235 1.680 1.00 0.00 C ATOM 209 C6 A A 7 0.322 7.488 2.818 1.00 0.00 C ATOM 210 N6 A A 7 1.546 7.470 3.343 1.00 0.00 N ATOM 211 N1 A A 7 -0.638 6.752 3.398 1.00 0.00 N ATOM 212 C2 A A 7 -1.858 6.761 2.879 1.00 0.00 C ATOM 213 N3 A A 7 -2.308 7.415 1.820 1.00 0.00 N ATOM 214 C4 A A 7 -1.322 8.144 1.260 1.00 0.00 C ATOM 0 H5' A A 7 -0.872 8.806 -3.880 1.00 0.00 H new ATOM 0 H5'' A A 7 -1.654 10.157 -4.676 1.00 0.00 H new ATOM 0 H4' A A 7 -3.363 8.924 -3.812 1.00 0.00 H new ATOM 0 H3' A A 7 -3.472 11.477 -2.953 1.00 0.00 H new ATOM 0 H2' A A 7 -1.944 11.231 -1.023 1.00 0.00 H new ATOM 0 HO2' A A 7 -3.756 10.736 0.721 1.00 0.00 H new ATOM 0 H1' A A 7 -3.482 8.807 -0.078 1.00 0.00 H new ATOM 0 H8 A A 7 0.081 10.155 -0.835 1.00 0.00 H new ATOM 0 H61 A A 7 1.737 6.907 4.172 1.00 0.00 H new ATOM 0 H62 A A 7 2.292 8.019 2.916 1.00 0.00 H new ATOM 0 H2 A A 7 -2.586 6.150 3.392 1.00 0.00 H new ATOM 226 P U A 8 -6.028 10.838 -1.517 1.00 0.00 P ATOM 227 OP1 U A 8 -7.279 10.696 -2.296 1.00 0.00 O ATOM 228 OP2 U A 8 -5.557 12.186 -1.130 1.00 0.00 O ATOM 229 O5' U A 8 -6.151 9.914 -0.206 1.00 0.00 O ATOM 230 C5' U A 8 -6.016 8.494 -0.351 1.00 0.00 C ATOM 231 C4' U A 8 -5.663 7.795 0.959 1.00 0.00 C ATOM 232 O4' U A 8 -4.552 8.455 1.577 1.00 0.00 O ATOM 233 C3' U A 8 -6.769 7.805 2.007 1.00 0.00 C ATOM 234 O3' U A 8 -6.618 6.611 2.786 1.00 0.00 O ATOM 235 C2' U A 8 -6.383 8.978 2.885 1.00 0.00 C ATOM 236 O2' U A 8 -6.946 8.856 4.194 1.00 0.00 O ATOM 237 C1' U A 8 -4.880 8.824 2.916 1.00 0.00 C ATOM 238 N1 U A 8 -4.173 10.072 3.260 1.00 0.00 N ATOM 239 C2 U A 8 -4.054 10.397 4.600 1.00 0.00 C ATOM 240 O2 U A 8 -4.522 9.698 5.498 1.00 0.00 O ATOM 241 N3 U A 8 -3.372 11.565 4.879 1.00 0.00 N ATOM 242 C4 U A 8 -2.808 12.421 3.952 1.00 0.00 C ATOM 243 O4 U A 8 -2.223 13.435 4.325 1.00 0.00 O ATOM 244 C5 U A 8 -2.975 12.012 2.576 1.00 0.00 C ATOM 245 C6 U A 8 -3.644 10.868 2.282 1.00 0.00 C ATOM 0 H5' U A 8 -5.244 8.281 -1.090 1.00 0.00 H new ATOM 0 H5'' U A 8 -6.949 8.083 -0.737 1.00 0.00 H new ATOM 0 H4' U A 8 -5.461 6.764 0.668 1.00 0.00 H new ATOM 0 H3' U A 8 -7.779 7.866 1.602 1.00 0.00 H new ATOM 0 H2' U A 8 -6.732 9.946 2.526 1.00 0.00 H new ATOM 0 HO2' U A 8 -6.279 9.117 4.863 1.00 0.00 H new ATOM 0 H1' U A 8 -4.581 8.102 3.676 1.00 0.00 H new ATOM 0 H3 U A 8 -3.275 11.820 5.862 1.00 0.00 H new ATOM 0 H5 U A 8 -2.567 12.618 1.780 1.00 0.00 H new ATOM 0 H6 U A 8 -3.762 10.579 1.248 1.00 0.00 H new ATOM 256 P A A 9 -7.903 5.777 3.292 1.00 0.00 P ATOM 257 OP1 A A 9 -8.517 6.516 4.418 1.00 0.00 O ATOM 258 OP2 A A 9 -7.494 4.367 3.473 1.00 0.00 O ATOM 259 O5' A A 9 -8.906 5.859 2.031 1.00 0.00 O ATOM 260 C5' A A 9 -9.278 4.680 1.304 1.00 0.00 C ATOM 261 C4' A A 9 -9.745 5.021 -0.110 1.00 0.00 C ATOM 262 O4' A A 9 -9.124 6.255 -0.521 1.00 0.00 O ATOM 263 C3' A A 9 -9.344 4.013 -1.190 1.00 0.00 C ATOM 264 O3' A A 9 -10.480 3.172 -1.444 1.00 0.00 O ATOM 265 C2' A A 9 -9.144 4.895 -2.413 1.00 0.00 C ATOM 266 O2' A A 9 -10.399 5.275 -2.985 1.00 0.00 O ATOM 267 C1' A A 9 -8.462 6.092 -1.783 1.00 0.00 C ATOM 268 N9 A A 9 -7.025 5.854 -1.547 1.00 0.00 N ATOM 269 C8 A A 9 -6.411 5.347 -0.433 1.00 0.00 C ATOM 270 N7 A A 9 -5.117 5.244 -0.545 1.00 0.00 N ATOM 271 C5 A A 9 -4.857 5.724 -1.823 1.00 0.00 C ATOM 272 C6 A A 9 -3.670 5.884 -2.554 1.00 0.00 C ATOM 273 N6 A A 9 -2.464 5.573 -2.085 1.00 0.00 N ATOM 274 N1 A A 9 -3.765 6.386 -3.793 1.00 0.00 N ATOM 275 C2 A A 9 -4.960 6.708 -4.267 1.00 0.00 C ATOM 276 N3 A A 9 -6.144 6.607 -3.686 1.00 0.00 N ATOM 277 C4 A A 9 -6.012 6.098 -2.445 1.00 0.00 C ATOM 0 H5' A A 9 -10.074 4.159 1.836 1.00 0.00 H new ATOM 0 H5'' A A 9 -8.429 3.999 1.254 1.00 0.00 H new ATOM 0 H4' A A 9 -10.832 5.049 -0.039 1.00 0.00 H new ATOM 0 H3' A A 9 -8.480 3.401 -0.932 1.00 0.00 H new ATOM 0 H2' A A 9 -8.591 4.424 -3.225 1.00 0.00 H new ATOM 0 HO2' A A 9 -10.746 4.539 -3.530 1.00 0.00 H new ATOM 0 H1' A A 9 -8.527 6.965 -2.433 1.00 0.00 H new ATOM 0 H8 A A 9 -6.950 5.059 0.457 1.00 0.00 H new ATOM 0 H61 A A 9 -1.639 5.713 -2.668 1.00 0.00 H new ATOM 0 H62 A A 9 -2.365 5.194 -1.143 1.00 0.00 H new ATOM 0 H2 A A 9 -4.968 7.110 -5.269 1.00 0.00 H new ATOM 289 P G A 10 -10.411 2.013 -2.570 1.00 0.00 P ATOM 290 OP1 G A 10 -11.764 1.428 -2.713 1.00 0.00 O ATOM 291 OP2 G A 10 -9.256 1.137 -2.269 1.00 0.00 O ATOM 292 O5' G A 10 -10.079 2.852 -3.906 1.00 0.00 O ATOM 293 C5' G A 10 -10.334 2.319 -5.209 1.00 0.00 C ATOM 294 C4' G A 10 -9.058 1.861 -5.915 1.00 0.00 C ATOM 295 O4' G A 10 -8.017 2.822 -5.698 1.00 0.00 O ATOM 296 C3' G A 10 -8.457 0.563 -5.413 1.00 0.00 C ATOM 297 O3' G A 10 -9.052 -0.504 -6.157 1.00 0.00 O ATOM 298 C2' G A 10 -7.009 0.686 -5.864 1.00 0.00 C ATOM 299 O2' G A 10 -6.882 0.381 -7.256 1.00 0.00 O ATOM 300 C1' G A 10 -6.735 2.168 -5.611 1.00 0.00 C ATOM 301 N9 G A 10 -6.173 2.394 -4.268 1.00 0.00 N ATOM 302 C8 G A 10 -6.837 2.467 -3.074 1.00 0.00 C ATOM 303 N7 G A 10 -6.055 2.616 -2.045 1.00 0.00 N ATOM 304 C5 G A 10 -4.779 2.649 -2.595 1.00 0.00 C ATOM 305 C6 G A 10 -3.517 2.794 -1.959 1.00 0.00 C ATOM 306 O6 G A 10 -3.279 2.904 -0.760 1.00 0.00 O ATOM 307 N1 G A 10 -2.477 2.780 -2.873 1.00 0.00 N ATOM 308 C2 G A 10 -2.627 2.642 -4.235 1.00 0.00 C ATOM 309 N2 G A 10 -1.515 2.648 -4.970 1.00 0.00 N ATOM 310 N3 G A 10 -3.808 2.502 -4.845 1.00 0.00 N ATOM 311 C4 G A 10 -4.838 2.517 -3.960 1.00 0.00 C ATOM 0 H5' G A 10 -10.830 3.076 -5.817 1.00 0.00 H new ATOM 0 H5'' G A 10 -11.021 1.477 -5.125 1.00 0.00 H new ATOM 0 H4' G A 10 -9.374 1.736 -6.951 1.00 0.00 H new ATOM 0 H3' G A 10 -8.586 0.385 -4.345 1.00 0.00 H new ATOM 0 H2' G A 10 -6.325 0.009 -5.352 1.00 0.00 H new ATOM 0 HO2' G A 10 -6.968 -0.586 -7.388 1.00 0.00 H new ATOM 0 H1' G A 10 -6.012 2.550 -6.332 1.00 0.00 H new ATOM 0 H8 G A 10 -7.912 2.406 -2.993 1.00 0.00 H new ATOM 0 H1 G A 10 -1.529 2.879 -2.510 1.00 0.00 H new ATOM 0 H21 G A 10 -1.573 2.549 -5.984 1.00 0.00 H new ATOM 0 H22 G A 10 -0.606 2.752 -4.519 1.00 0.00 H new ATOM 323 P G A 11 -8.714 -2.042 -5.808 1.00 0.00 P ATOM 324 OP1 G A 11 -9.662 -2.903 -6.548 1.00 0.00 O ATOM 325 OP2 G A 11 -8.599 -2.168 -4.336 1.00 0.00 O ATOM 326 O5' G A 11 -7.250 -2.233 -6.453 1.00 0.00 O ATOM 327 C5' G A 11 -6.112 -2.516 -5.631 1.00 0.00 C ATOM 328 C4' G A 11 -4.833 -1.939 -6.232 1.00 0.00 C ATOM 329 O4' G A 11 -4.500 -0.724 -5.552 1.00 0.00 O ATOM 330 C3' G A 11 -3.600 -2.810 -6.070 1.00 0.00 C ATOM 331 O3' G A 11 -3.493 -3.602 -7.258 1.00 0.00 O ATOM 332 C2' G A 11 -2.456 -1.805 -6.091 1.00 0.00 C ATOM 333 O2' G A 11 -2.095 -1.477 -7.435 1.00 0.00 O ATOM 334 C1' G A 11 -3.077 -0.593 -5.394 1.00 0.00 C ATOM 335 N9 G A 11 -2.760 -0.544 -3.952 1.00 0.00 N ATOM 336 C8 G A 11 -3.618 -0.418 -2.889 1.00 0.00 C ATOM 337 N7 G A 11 -3.018 -0.378 -1.733 1.00 0.00 N ATOM 338 C5 G A 11 -1.670 -0.487 -2.049 1.00 0.00 C ATOM 339 C6 G A 11 -0.532 -0.504 -1.196 1.00 0.00 C ATOM 340 O6 G A 11 -0.497 -0.421 0.030 1.00 0.00 O ATOM 341 N1 G A 11 0.644 -0.630 -1.918 1.00 0.00 N ATOM 342 C2 G A 11 0.723 -0.731 -3.286 1.00 0.00 C ATOM 343 N2 G A 11 1.939 -0.862 -3.813 1.00 0.00 N ATOM 344 N3 G A 11 -0.337 -0.716 -4.097 1.00 0.00 N ATOM 345 C4 G A 11 -1.499 -0.592 -3.408 1.00 0.00 C ATOM 0 H5' G A 11 -6.006 -3.594 -5.513 1.00 0.00 H new ATOM 0 H5'' G A 11 -6.268 -2.100 -4.636 1.00 0.00 H new ATOM 0 H4' G A 11 -5.058 -1.827 -7.293 1.00 0.00 H new ATOM 0 H3' G A 11 -3.613 -3.445 -5.184 1.00 0.00 H new ATOM 0 H2' G A 11 -1.545 -2.169 -5.617 1.00 0.00 H new ATOM 0 HO2' G A 11 -2.379 -2.198 -8.035 1.00 0.00 H new ATOM 0 H1' G A 11 -2.680 0.321 -5.836 1.00 0.00 H new ATOM 0 H8 G A 11 -4.691 -0.358 -3.000 1.00 0.00 H new ATOM 0 H1 G A 11 1.519 -0.649 -1.393 1.00 0.00 H new ATOM 0 H21 G A 11 2.051 -0.941 -4.824 1.00 0.00 H new ATOM 0 H22 G A 11 2.758 -0.884 -3.206 1.00 0.00 H new ATOM 357 P G A 12 -2.986 -5.129 -7.192 1.00 0.00 P ATOM 358 OP1 G A 12 -3.560 -5.856 -8.348 1.00 0.00 O ATOM 359 OP2 G A 12 -3.208 -5.635 -5.818 1.00 0.00 O ATOM 360 O5' G A 12 -1.399 -4.980 -7.424 1.00 0.00 O ATOM 361 C5' G A 12 -0.659 -6.002 -8.099 1.00 0.00 C ATOM 362 C4' G A 12 0.777 -6.087 -7.593 1.00 0.00 C ATOM 363 O4' G A 12 1.113 -4.862 -6.937 1.00 0.00 O ATOM 364 C3' G A 12 1.008 -7.162 -6.544 1.00 0.00 C ATOM 365 O3' G A 12 1.505 -8.316 -7.228 1.00 0.00 O ATOM 366 C2' G A 12 2.150 -6.602 -5.709 1.00 0.00 C ATOM 367 O2' G A 12 3.411 -6.875 -6.326 1.00 0.00 O ATOM 368 C1' G A 12 1.855 -5.104 -5.734 1.00 0.00 C ATOM 369 N9 G A 12 1.039 -4.671 -4.581 1.00 0.00 N ATOM 370 C8 G A 12 -0.258 -4.227 -4.570 1.00 0.00 C ATOM 371 N7 G A 12 -0.694 -3.907 -3.384 1.00 0.00 N ATOM 372 C5 G A 12 0.390 -4.156 -2.550 1.00 0.00 C ATOM 373 C6 G A 12 0.513 -3.995 -1.145 1.00 0.00 C ATOM 374 O6 G A 12 -0.329 -3.589 -0.349 1.00 0.00 O ATOM 375 N1 G A 12 1.771 -4.360 -0.698 1.00 0.00 N ATOM 376 C2 G A 12 2.790 -4.825 -1.498 1.00 0.00 C ATOM 377 N2 G A 12 3.942 -5.126 -0.898 1.00 0.00 N ATOM 378 N3 G A 12 2.686 -4.981 -2.818 1.00 0.00 N ATOM 379 C4 G A 12 1.459 -4.627 -3.274 1.00 0.00 C ATOM 0 H5' G A 12 -0.656 -5.801 -9.170 1.00 0.00 H new ATOM 0 H5'' G A 12 -1.153 -6.963 -7.956 1.00 0.00 H new ATOM 0 H4' G A 12 1.376 -6.309 -8.476 1.00 0.00 H new ATOM 0 H3' G A 12 0.121 -7.414 -5.963 1.00 0.00 H new ATOM 0 H2' G A 12 2.212 -7.026 -4.707 1.00 0.00 H new ATOM 0 HO2' G A 12 3.338 -7.684 -6.875 1.00 0.00 H new ATOM 0 H1' G A 12 2.792 -4.549 -5.689 1.00 0.00 H new ATOM 0 H8 G A 12 -0.863 -4.150 -5.462 1.00 0.00 H new ATOM 0 H1 G A 12 1.957 -4.278 0.301 1.00 0.00 H new ATOM 0 H21 G A 12 4.727 -5.474 -1.448 1.00 0.00 H new ATOM 0 H22 G A 12 4.038 -5.008 0.111 1.00 0.00 H new ATOM 391 P U A 13 1.495 -9.762 -6.519 1.00 0.00 P ATOM 392 OP1 U A 13 1.751 -10.788 -7.555 1.00 0.00 O ATOM 393 OP2 U A 13 0.284 -9.855 -5.671 1.00 0.00 O ATOM 394 O5' U A 13 2.784 -9.687 -5.555 1.00 0.00 O ATOM 395 C5' U A 13 2.949 -10.622 -4.485 1.00 0.00 C ATOM 396 C4' U A 13 3.911 -10.095 -3.423 1.00 0.00 C ATOM 397 O4' U A 13 3.619 -8.718 -3.163 1.00 0.00 O ATOM 398 C3' U A 13 3.790 -10.769 -2.066 1.00 0.00 C ATOM 399 O3' U A 13 4.757 -11.824 -2.034 1.00 0.00 O ATOM 400 C2' U A 13 4.261 -9.694 -1.101 1.00 0.00 C ATOM 401 O2' U A 13 5.690 -9.666 -1.028 1.00 0.00 O ATOM 402 C1' U A 13 3.735 -8.418 -1.760 1.00 0.00 C ATOM 403 N1 U A 13 2.406 -8.018 -1.238 1.00 0.00 N ATOM 404 C2 U A 13 2.329 -7.640 0.094 1.00 0.00 C ATOM 405 O2 U A 13 3.304 -7.638 0.841 1.00 0.00 O ATOM 406 N3 U A 13 1.080 -7.264 0.543 1.00 0.00 N ATOM 407 C4 U A 13 -0.081 -7.231 -0.206 1.00 0.00 C ATOM 408 O4 U A 13 -1.135 -6.876 0.312 1.00 0.00 O ATOM 409 C5 U A 13 0.078 -7.640 -1.583 1.00 0.00 C ATOM 410 C6 U A 13 1.297 -8.013 -2.046 1.00 0.00 C ATOM 0 H5' U A 13 3.324 -11.566 -4.880 1.00 0.00 H new ATOM 0 H5'' U A 13 1.981 -10.829 -4.029 1.00 0.00 H new ATOM 0 H4' U A 13 4.903 -10.283 -3.834 1.00 0.00 H new ATOM 0 H3' U A 13 2.795 -11.156 -1.846 1.00 0.00 H new ATOM 0 H2' U A 13 3.914 -9.841 -0.078 1.00 0.00 H new ATOM 0 HO2' U A 13 6.049 -10.533 -1.312 1.00 0.00 H new ATOM 0 H1' U A 13 4.413 -7.590 -1.554 1.00 0.00 H new ATOM 0 H3 U A 13 1.006 -6.984 1.521 1.00 0.00 H new ATOM 0 H5 U A 13 -0.776 -7.649 -2.245 1.00 0.00 H new ATOM 0 H6 U A 13 1.397 -8.314 -3.078 1.00 0.00 H new ATOM 421 P C A 14 4.588 -13.064 -1.020 1.00 0.00 P ATOM 422 OP1 C A 14 5.838 -13.857 -1.046 1.00 0.00 O ATOM 423 OP2 C A 14 3.292 -13.720 -1.304 1.00 0.00 O ATOM 424 O5' C A 14 4.479 -12.334 0.413 1.00 0.00 O ATOM 425 C5' C A 14 5.656 -11.971 1.142 1.00 0.00 C ATOM 426 C4' C A 14 5.356 -11.772 2.625 1.00 0.00 C ATOM 427 O4' C A 14 4.658 -10.537 2.801 1.00 0.00 O ATOM 428 C3' C A 14 4.432 -12.818 3.233 1.00 0.00 C ATOM 429 O3' C A 14 5.183 -13.948 3.685 1.00 0.00 O ATOM 430 C2' C A 14 3.835 -12.063 4.413 1.00 0.00 C ATOM 431 O2' C A 14 4.725 -12.091 5.532 1.00 0.00 O ATOM 432 C1' C A 14 3.705 -10.641 3.869 1.00 0.00 C ATOM 433 N1 C A 14 2.353 -10.370 3.334 1.00 0.00 N ATOM 434 C2 C A 14 1.428 -9.778 4.187 1.00 0.00 C ATOM 435 O2 C A 14 1.742 -9.486 5.340 1.00 0.00 O ATOM 436 N3 C A 14 0.175 -9.529 3.717 1.00 0.00 N ATOM 437 C4 C A 14 -0.160 -9.848 2.460 1.00 0.00 C ATOM 438 N4 C A 14 -1.401 -9.575 2.058 1.00 0.00 N ATOM 439 C5 C A 14 0.787 -10.458 1.579 1.00 0.00 C ATOM 440 C6 C A 14 2.022 -10.699 2.052 1.00 0.00 C ATOM 0 H5' C A 14 6.073 -11.053 0.728 1.00 0.00 H new ATOM 0 H5'' C A 14 6.412 -12.747 1.024 1.00 0.00 H new ATOM 0 H4' C A 14 6.330 -11.822 3.112 1.00 0.00 H new ATOM 0 H3' C A 14 3.689 -13.212 2.539 1.00 0.00 H new ATOM 0 H2' C A 14 2.893 -12.484 4.766 1.00 0.00 H new ATOM 0 HO2' C A 14 5.266 -12.908 5.500 1.00 0.00 H new ATOM 0 HO3' C A 14 4.575 -14.610 4.075 1.00 0.00 H new ATOM 0 H1' C A 14 3.881 -9.921 4.669 1.00 0.00 H new ATOM 0 H41 C A 14 -1.691 -9.804 1.107 1.00 0.00 H new ATOM 0 H42 C A 14 -2.061 -9.137 2.701 1.00 0.00 H new ATOM 0 H5 C A 14 0.518 -10.717 0.565 1.00 0.00 H new ATOM 0 H6 C A 14 2.760 -11.158 1.411 1.00 0.00 H new TER 453 C A 14