USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot -13:sc= 0.339 USER MOD Single : A 1 G O5' : rot 20:sc= 0.643 USER MOD Single : A 2 G O2' : rot -15:sc= 0.336 USER MOD Single : A 3 U O2' : rot 4:sc= -0.432 USER MOD Single : A 4 U O2' : rot -6:sc= -0.0449 USER MOD Single : A 5 C O2' : rot 3:sc= 0.282 USER MOD Single : A 6 A O2' : rot 6:sc= -3.96! USER MOD Single : A 7 G O2' : rot 27:sc= 0.302 USER MOD Single : A 8 A O2' : rot -167:sc= -6.81! USER MOD Single : A 9 A O2' : rot -1:sc= 0.509 USER MOD Single : A 10 G O2' : rot -16:sc= 0.261 USER MOD Single : A 11 A O2' : rot -19:sc= 0.384 USER MOD Single : A 12 A O2' : rot -13:sc= 0.275 USER MOD Single : A 13 C O2' : rot -16:sc= 0.408 USER MOD Single : A 14 C O2' : rot -21:sc= 0.242 USER MOD Single : A 14 C O3' : rot 180:sc= 0.175 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.876 -3.921 -8.664 1.00 0.00 O ATOM 2 C5' G A 1 -5.090 -4.204 -9.363 1.00 0.00 C ATOM 3 C4' G A 1 -5.714 -5.517 -8.898 1.00 0.00 C ATOM 4 O4' G A 1 -4.805 -6.610 -9.068 1.00 0.00 O ATOM 5 C3' G A 1 -6.041 -5.470 -7.412 1.00 0.00 C ATOM 6 O3' G A 1 -7.415 -5.104 -7.263 1.00 0.00 O ATOM 7 C2' G A 1 -5.882 -6.915 -6.975 1.00 0.00 C ATOM 8 O2' G A 1 -7.085 -7.662 -7.182 1.00 0.00 O ATOM 9 C1' G A 1 -4.756 -7.408 -7.874 1.00 0.00 C ATOM 10 N9 G A 1 -3.450 -7.273 -7.201 1.00 0.00 N ATOM 11 C8 G A 1 -2.355 -6.565 -7.568 1.00 0.00 C ATOM 12 N7 G A 1 -1.328 -6.602 -6.787 1.00 0.00 N ATOM 13 C5 G A 1 -1.779 -7.439 -5.763 1.00 0.00 C ATOM 14 C6 G A 1 -1.113 -7.882 -4.587 1.00 0.00 C ATOM 15 O6 G A 1 0.027 -7.617 -4.208 1.00 0.00 O ATOM 16 N1 G A 1 -1.925 -8.713 -3.825 1.00 0.00 N ATOM 17 C2 G A 1 -3.216 -9.077 -4.148 1.00 0.00 C ATOM 18 N2 G A 1 -3.834 -9.887 -3.287 1.00 0.00 N ATOM 19 N3 G A 1 -3.849 -8.667 -5.250 1.00 0.00 N ATOM 20 C4 G A 1 -3.079 -7.855 -6.010 1.00 0.00 C ATOM 0 H5' G A 1 -4.891 -4.254 -10.433 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.798 -3.389 -9.208 1.00 0.00 H new ATOM 0 H4' G A 1 -6.613 -5.656 -9.498 1.00 0.00 H new ATOM 0 H3' G A 1 -5.423 -4.770 -6.849 1.00 0.00 H new ATOM 0 H2' G A 1 -5.668 -7.025 -5.912 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.825 -7.046 -7.367 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.529 -4.746 -8.265 1.00 0.00 H new ATOM 0 H1' G A 1 -4.878 -8.465 -8.109 1.00 0.00 H new ATOM 0 H8 G A 1 -2.342 -5.990 -8.482 1.00 0.00 H new ATOM 0 H1 G A 1 -1.536 -9.083 -2.958 1.00 0.00 H new ATOM 0 H21 G A 1 -4.790 -10.192 -3.470 1.00 0.00 H new ATOM 0 H22 G A 1 -3.350 -10.202 -2.446 1.00 0.00 H new ATOM 33 P G A 2 -7.847 -4.000 -6.174 1.00 0.00 P ATOM 34 OP1 G A 2 -9.180 -3.477 -6.547 1.00 0.00 O ATOM 35 OP2 G A 2 -6.714 -3.067 -5.986 1.00 0.00 O ATOM 36 O5' G A 2 -8.006 -4.875 -4.832 1.00 0.00 O ATOM 37 C5' G A 2 -9.223 -5.576 -4.566 1.00 0.00 C ATOM 38 C4' G A 2 -9.158 -6.334 -3.243 1.00 0.00 C ATOM 39 O4' G A 2 -8.059 -7.249 -3.217 1.00 0.00 O ATOM 40 C3' G A 2 -8.920 -5.389 -2.080 1.00 0.00 C ATOM 41 O3' G A 2 -10.187 -4.973 -1.564 1.00 0.00 O ATOM 42 C2' G A 2 -8.252 -6.280 -1.051 1.00 0.00 C ATOM 43 O2' G A 2 -9.216 -6.981 -0.257 1.00 0.00 O ATOM 44 C1' G A 2 -7.439 -7.237 -1.920 1.00 0.00 C ATOM 45 N9 G A 2 -6.036 -6.795 -2.005 1.00 0.00 N ATOM 46 C8 G A 2 -5.374 -6.201 -3.027 1.00 0.00 C ATOM 47 N7 G A 2 -4.131 -5.903 -2.842 1.00 0.00 N ATOM 48 C5 G A 2 -3.923 -6.351 -1.533 1.00 0.00 C ATOM 49 C6 G A 2 -2.750 -6.313 -0.731 1.00 0.00 C ATOM 50 O6 G A 2 -1.641 -5.872 -1.023 1.00 0.00 O ATOM 51 N1 G A 2 -2.974 -6.868 0.524 1.00 0.00 N ATOM 52 C2 G A 2 -4.174 -7.394 0.959 1.00 0.00 C ATOM 53 N2 G A 2 -4.190 -7.882 2.200 1.00 0.00 N ATOM 54 N3 G A 2 -5.280 -7.432 0.212 1.00 0.00 N ATOM 55 C4 G A 2 -5.087 -6.898 -1.015 1.00 0.00 C ATOM 0 H5' G A 2 -9.425 -6.276 -5.377 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.052 -4.869 -4.541 1.00 0.00 H new ATOM 0 H4' G A 2 -10.112 -6.853 -3.154 1.00 0.00 H new ATOM 0 H3' G A 2 -8.340 -4.504 -2.343 1.00 0.00 H new ATOM 0 H2' G A 2 -7.647 -5.730 -0.330 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.097 -6.566 -0.370 1.00 0.00 H new ATOM 0 H1' G A 2 -7.426 -8.240 -1.493 1.00 0.00 H new ATOM 0 H8 G A 2 -5.868 -5.984 -3.963 1.00 0.00 H new ATOM 0 H1 G A 2 -2.189 -6.888 1.175 1.00 0.00 H new ATOM 0 H21 G A 2 -5.047 -8.284 2.579 1.00 0.00 H new ATOM 0 H22 G A 2 -3.345 -7.853 2.770 1.00 0.00 H new ATOM 67 P U A 3 -10.460 -3.423 -1.232 1.00 0.00 P ATOM 68 OP1 U A 3 -11.912 -3.245 -1.009 1.00 0.00 O ATOM 69 OP2 U A 3 -9.763 -2.602 -2.248 1.00 0.00 O ATOM 70 O5' U A 3 -9.704 -3.229 0.177 1.00 0.00 O ATOM 71 C5' U A 3 -10.390 -3.479 1.406 1.00 0.00 C ATOM 72 C4' U A 3 -9.459 -3.361 2.610 1.00 0.00 C ATOM 73 O4' U A 3 -8.383 -4.301 2.543 1.00 0.00 O ATOM 74 C3' U A 3 -8.788 -2.003 2.659 1.00 0.00 C ATOM 75 O3' U A 3 -9.627 -1.101 3.383 1.00 0.00 O ATOM 76 C2' U A 3 -7.551 -2.282 3.489 1.00 0.00 C ATOM 77 O2' U A 3 -7.836 -2.231 4.891 1.00 0.00 O ATOM 78 C1' U A 3 -7.177 -3.693 3.044 1.00 0.00 C ATOM 79 N1 U A 3 -6.132 -3.648 2.005 1.00 0.00 N ATOM 80 C2 U A 3 -4.818 -3.618 2.429 1.00 0.00 C ATOM 81 O2 U A 3 -4.514 -3.642 3.619 1.00 0.00 O ATOM 82 N3 U A 3 -3.860 -3.558 1.432 1.00 0.00 N ATOM 83 C4 U A 3 -4.100 -3.527 0.070 1.00 0.00 C ATOM 84 O4 U A 3 -3.169 -3.474 -0.729 1.00 0.00 O ATOM 85 C5 U A 3 -5.503 -3.563 -0.281 1.00 0.00 C ATOM 86 C6 U A 3 -6.458 -3.620 0.678 1.00 0.00 C ATOM 0 H5' U A 3 -10.827 -4.477 1.381 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.213 -2.773 1.513 1.00 0.00 H new ATOM 0 H4' U A 3 -10.092 -3.536 3.480 1.00 0.00 H new ATOM 0 H3' U A 3 -8.583 -1.572 1.679 1.00 0.00 H new ATOM 0 H2' U A 3 -6.754 -1.553 3.344 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.795 -2.080 5.025 1.00 0.00 H new ATOM 0 H1' U A 3 -6.770 -4.273 3.872 1.00 0.00 H new ATOM 0 H3 U A 3 -2.885 -3.534 1.730 1.00 0.00 H new ATOM 0 H5 U A 3 -5.793 -3.544 -1.321 1.00 0.00 H new ATOM 0 H6 U A 3 -7.498 -3.644 0.388 1.00 0.00 H new ATOM 97 P U A 4 -9.400 0.488 3.261 1.00 0.00 P ATOM 98 OP1 U A 4 -10.470 1.169 4.023 1.00 0.00 O ATOM 99 OP2 U A 4 -9.187 0.816 1.833 1.00 0.00 O ATOM 100 O5' U A 4 -8.007 0.703 4.040 1.00 0.00 O ATOM 101 C5' U A 4 -7.980 0.755 5.468 1.00 0.00 C ATOM 102 C4' U A 4 -6.579 1.051 5.997 1.00 0.00 C ATOM 103 O4' U A 4 -5.624 0.097 5.534 1.00 0.00 O ATOM 104 C3' U A 4 -6.062 2.383 5.492 1.00 0.00 C ATOM 105 O3' U A 4 -6.511 3.418 6.372 1.00 0.00 O ATOM 106 C2' U A 4 -4.562 2.227 5.656 1.00 0.00 C ATOM 107 O2' U A 4 -4.140 2.573 6.981 1.00 0.00 O ATOM 108 C1' U A 4 -4.347 0.741 5.370 1.00 0.00 C ATOM 109 N1 U A 4 -3.817 0.548 4.005 1.00 0.00 N ATOM 110 C2 U A 4 -2.444 0.573 3.851 1.00 0.00 C ATOM 111 O2 U A 4 -1.683 0.725 4.803 1.00 0.00 O ATOM 112 N3 U A 4 -1.975 0.416 2.560 1.00 0.00 N ATOM 113 C4 U A 4 -2.748 0.237 1.425 1.00 0.00 C ATOM 114 O4 U A 4 -2.220 0.108 0.322 1.00 0.00 O ATOM 115 C5 U A 4 -4.171 0.223 1.680 1.00 0.00 C ATOM 116 C6 U A 4 -4.655 0.375 2.937 1.00 0.00 C ATOM 0 H5' U A 4 -8.329 -0.195 5.873 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.670 1.523 5.817 1.00 0.00 H new ATOM 0 H4' U A 4 -6.679 1.033 7.082 1.00 0.00 H new ATOM 0 H3' U A 4 -6.382 2.631 4.480 1.00 0.00 H new ATOM 0 H2' U A 4 -3.986 2.880 5.001 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.899 2.940 7.481 1.00 0.00 H new ATOM 0 H1' U A 4 -3.615 0.309 6.052 1.00 0.00 H new ATOM 0 H3 U A 4 -0.963 0.434 2.431 1.00 0.00 H new ATOM 0 H5 U A 4 -4.858 0.090 0.857 1.00 0.00 H new ATOM 0 H6 U A 4 -5.723 0.359 3.099 1.00 0.00 H new ATOM 127 P C A 5 -6.553 4.948 5.869 1.00 0.00 P ATOM 128 OP1 C A 5 -6.961 5.800 7.008 1.00 0.00 O ATOM 129 OP2 C A 5 -7.312 4.998 4.599 1.00 0.00 O ATOM 130 O5' C A 5 -5.005 5.253 5.542 1.00 0.00 O ATOM 131 C5' C A 5 -4.118 5.680 6.579 1.00 0.00 C ATOM 132 C4' C A 5 -2.706 5.926 6.052 1.00 0.00 C ATOM 133 O4' C A 5 -2.210 4.802 5.332 1.00 0.00 O ATOM 134 C3' C A 5 -2.677 7.067 5.055 1.00 0.00 C ATOM 135 O3' C A 5 -2.470 8.291 5.767 1.00 0.00 O ATOM 136 C2' C A 5 -1.430 6.775 4.235 1.00 0.00 C ATOM 137 O2' C A 5 -0.278 7.423 4.787 1.00 0.00 O ATOM 138 C1' C A 5 -1.301 5.251 4.312 1.00 0.00 C ATOM 139 N1 C A 5 -1.615 4.634 3.009 1.00 0.00 N ATOM 140 C2 C A 5 -0.571 4.480 2.111 1.00 0.00 C ATOM 141 O2 C A 5 0.562 4.846 2.417 1.00 0.00 O ATOM 142 N3 C A 5 -0.837 3.923 0.901 1.00 0.00 N ATOM 143 C4 C A 5 -2.077 3.530 0.580 1.00 0.00 C ATOM 144 N4 C A 5 -2.300 2.988 -0.617 1.00 0.00 N ATOM 145 C5 C A 5 -3.159 3.686 1.504 1.00 0.00 C ATOM 146 C6 C A 5 -2.884 4.241 2.701 1.00 0.00 C ATOM 0 H5' C A 5 -4.086 4.925 7.364 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.501 6.594 7.032 1.00 0.00 H new ATOM 0 H4' C A 5 -2.104 6.139 6.936 1.00 0.00 H new ATOM 0 H3' C A 5 -3.587 7.153 4.462 1.00 0.00 H new ATOM 0 H2' C A 5 -1.502 7.143 3.212 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.529 7.892 5.610 1.00 0.00 H new ATOM 0 H1' C A 5 -0.280 4.960 4.558 1.00 0.00 H new ATOM 0 H41 C A 5 -3.240 2.685 -0.873 1.00 0.00 H new ATOM 0 H42 C A 5 -1.531 2.876 -1.277 1.00 0.00 H new ATOM 0 H5 C A 5 -4.160 3.370 1.251 1.00 0.00 H new ATOM 0 H6 C A 5 -3.676 4.376 3.423 1.00 0.00 H new ATOM 158 P A A 6 -2.505 9.701 4.988 1.00 0.00 P ATOM 159 OP1 A A 6 -1.582 10.633 5.675 1.00 0.00 O ATOM 160 OP2 A A 6 -3.921 10.081 4.785 1.00 0.00 O ATOM 161 O5' A A 6 -1.874 9.328 3.555 1.00 0.00 O ATOM 162 C5' A A 6 -1.148 10.307 2.804 1.00 0.00 C ATOM 163 C4' A A 6 -0.369 9.667 1.656 1.00 0.00 C ATOM 164 O4' A A 6 -0.616 8.268 1.576 1.00 0.00 O ATOM 165 C3' A A 6 -0.801 10.219 0.309 1.00 0.00 C ATOM 166 O3' A A 6 0.028 11.343 -0.002 1.00 0.00 O ATOM 167 C2' A A 6 -0.463 9.093 -0.661 1.00 0.00 C ATOM 168 O2' A A 6 0.832 9.279 -1.243 1.00 0.00 O ATOM 169 C1' A A 6 -0.503 7.835 0.214 1.00 0.00 C ATOM 170 N9 A A 6 -1.634 6.962 -0.161 1.00 0.00 N ATOM 171 C8 A A 6 -2.770 6.671 0.520 1.00 0.00 C ATOM 172 N7 A A 6 -3.597 5.843 -0.027 1.00 0.00 N ATOM 173 C5 A A 6 -2.940 5.537 -1.224 1.00 0.00 C ATOM 174 C6 A A 6 -3.263 4.702 -2.300 1.00 0.00 C ATOM 175 N6 A A 6 -4.384 3.981 -2.354 1.00 0.00 N ATOM 176 N1 A A 6 -2.387 4.637 -3.318 1.00 0.00 N ATOM 177 C2 A A 6 -1.259 5.347 -3.284 1.00 0.00 C ATOM 178 N3 A A 6 -0.853 6.166 -2.318 1.00 0.00 N ATOM 179 C4 A A 6 -1.745 6.216 -1.311 1.00 0.00 C ATOM 0 H5' A A 6 -0.459 10.835 3.463 1.00 0.00 H new ATOM 0 H5'' A A 6 -1.840 11.049 2.406 1.00 0.00 H new ATOM 0 H4' A A 6 0.679 9.884 1.864 1.00 0.00 H new ATOM 0 H3' A A 6 -1.847 10.524 0.277 1.00 0.00 H new ATOM 0 H2' A A 6 -1.153 9.043 -1.503 1.00 0.00 H new ATOM 0 HO2' A A 6 1.274 10.044 -0.819 1.00 0.00 H new ATOM 0 H1' A A 6 0.404 7.246 0.075 1.00 0.00 H new ATOM 0 H8 A A 6 -2.975 7.115 1.483 1.00 0.00 H new ATOM 0 H61 A A 6 -4.571 3.388 -3.163 1.00 0.00 H new ATOM 0 H62 A A 6 -5.055 4.023 -1.587 1.00 0.00 H new ATOM 0 H2 A A 6 -0.602 5.246 -4.135 1.00 0.00 H new ATOM 191 P G A 7 -0.593 12.644 -0.716 1.00 0.00 P ATOM 192 OP1 G A 7 0.475 13.660 -0.839 1.00 0.00 O ATOM 193 OP2 G A 7 -1.860 12.987 -0.033 1.00 0.00 O ATOM 194 O5' G A 7 -0.946 12.102 -2.191 1.00 0.00 O ATOM 195 C5' G A 7 0.092 11.648 -3.065 1.00 0.00 C ATOM 196 C4' G A 7 -0.456 10.772 -4.185 1.00 0.00 C ATOM 197 O4' G A 7 -1.061 9.586 -3.664 1.00 0.00 O ATOM 198 C3' G A 7 -1.545 11.508 -4.975 1.00 0.00 C ATOM 199 O3' G A 7 -1.266 11.344 -6.367 1.00 0.00 O ATOM 200 C2' G A 7 -2.825 10.743 -4.660 1.00 0.00 C ATOM 201 O2' G A 7 -3.716 10.719 -5.782 1.00 0.00 O ATOM 202 C1' G A 7 -2.293 9.359 -4.341 1.00 0.00 C ATOM 203 N9 G A 7 -3.237 8.593 -3.506 1.00 0.00 N ATOM 204 C8 G A 7 -3.720 7.342 -3.693 1.00 0.00 C ATOM 205 N7 G A 7 -4.549 6.882 -2.819 1.00 0.00 N ATOM 206 C5 G A 7 -4.643 7.953 -1.924 1.00 0.00 C ATOM 207 C6 G A 7 -5.406 8.077 -0.733 1.00 0.00 C ATOM 208 O6 G A 7 -6.162 7.253 -0.222 1.00 0.00 O ATOM 209 N1 G A 7 -5.215 9.314 -0.131 1.00 0.00 N ATOM 210 C2 G A 7 -4.392 10.312 -0.613 1.00 0.00 C ATOM 211 N2 G A 7 -4.342 11.431 0.108 1.00 0.00 N ATOM 212 N3 G A 7 -3.670 10.204 -1.734 1.00 0.00 N ATOM 213 C4 G A 7 -3.841 9.006 -2.338 1.00 0.00 C ATOM 0 H5' G A 7 0.830 11.087 -2.492 1.00 0.00 H new ATOM 0 H5'' G A 7 0.608 12.507 -3.494 1.00 0.00 H new ATOM 0 H4' G A 7 0.391 10.525 -4.825 1.00 0.00 H new ATOM 0 H3' G A 7 -1.608 12.568 -4.731 1.00 0.00 H new ATOM 0 H2' G A 7 -3.413 11.184 -3.855 1.00 0.00 H new ATOM 0 HO2' G A 7 -3.200 10.794 -6.612 1.00 0.00 H new ATOM 0 H1' G A 7 -2.157 8.760 -5.242 1.00 0.00 H new ATOM 0 H8 G A 7 -3.421 6.750 -4.545 1.00 0.00 H new ATOM 0 H1 G A 7 -5.722 9.499 0.734 1.00 0.00 H new ATOM 0 H21 G A 7 -3.752 12.207 -0.194 1.00 0.00 H new ATOM 0 H22 G A 7 -4.893 11.512 0.962 1.00 0.00 H new ATOM 225 P A A 8 -1.119 12.624 -7.332 1.00 0.00 P ATOM 226 OP1 A A 8 -0.114 13.538 -6.744 1.00 0.00 O ATOM 227 OP2 A A 8 -2.474 13.124 -7.650 1.00 0.00 O ATOM 228 O5' A A 8 -0.491 11.980 -8.667 1.00 0.00 O ATOM 229 C5' A A 8 -1.128 10.867 -9.303 1.00 0.00 C ATOM 230 C4' A A 8 -0.111 9.804 -9.728 1.00 0.00 C ATOM 231 O4' A A 8 1.236 10.277 -9.548 1.00 0.00 O ATOM 232 C3' A A 8 -0.216 8.532 -8.875 1.00 0.00 C ATOM 233 O3' A A 8 0.143 7.416 -9.693 1.00 0.00 O ATOM 234 C2' A A 8 0.883 8.712 -7.855 1.00 0.00 C ATOM 235 O2' A A 8 1.317 7.460 -7.317 1.00 0.00 O ATOM 236 C1' A A 8 1.947 9.356 -8.712 1.00 0.00 C ATOM 237 N9 A A 8 2.970 10.027 -7.892 1.00 0.00 N ATOM 238 C8 A A 8 2.832 10.807 -6.794 1.00 0.00 C ATOM 239 N7 A A 8 3.912 11.262 -6.247 1.00 0.00 N ATOM 240 C5 A A 8 4.896 10.720 -7.082 1.00 0.00 C ATOM 241 C6 A A 8 6.294 10.802 -7.081 1.00 0.00 C ATOM 242 N6 A A 8 6.984 11.494 -6.174 1.00 0.00 N ATOM 243 N1 A A 8 6.953 10.141 -8.052 1.00 0.00 N ATOM 244 C2 A A 8 6.280 9.443 -8.970 1.00 0.00 C ATOM 245 N3 A A 8 4.964 9.301 -9.062 1.00 0.00 N ATOM 246 C4 A A 8 4.328 9.969 -8.082 1.00 0.00 C ATOM 0 H5' A A 8 -1.680 11.213 -10.177 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.855 10.425 -8.622 1.00 0.00 H new ATOM 0 H4' A A 8 -0.333 9.592 -10.774 1.00 0.00 H new ATOM 0 H3' A A 8 -1.206 8.374 -8.447 1.00 0.00 H new ATOM 0 H2' A A 8 0.599 9.289 -6.975 1.00 0.00 H new ATOM 0 HO2' A A 8 1.867 7.619 -6.522 1.00 0.00 H new ATOM 0 H1' A A 8 2.499 8.624 -9.301 1.00 0.00 H new ATOM 0 H8 A A 8 1.858 11.040 -6.391 1.00 0.00 H new ATOM 0 H61 A A 8 8.003 11.521 -6.219 1.00 0.00 H new ATOM 0 H62 A A 8 6.493 11.997 -5.435 1.00 0.00 H new ATOM 0 H2 A A 8 6.872 8.939 -9.720 1.00 0.00 H new ATOM 258 P A A 9 -0.507 5.968 -9.437 1.00 0.00 P ATOM 259 OP1 A A 9 -0.583 5.257 -10.732 1.00 0.00 O ATOM 260 OP2 A A 9 -1.725 6.142 -8.615 1.00 0.00 O ATOM 261 O5' A A 9 0.615 5.250 -8.528 1.00 0.00 O ATOM 262 C5' A A 9 1.591 4.388 -9.119 1.00 0.00 C ATOM 263 C4' A A 9 2.981 5.037 -9.155 1.00 0.00 C ATOM 264 O4' A A 9 2.929 6.339 -8.561 1.00 0.00 O ATOM 265 C3' A A 9 4.016 4.224 -8.364 1.00 0.00 C ATOM 266 O3' A A 9 4.976 3.708 -9.287 1.00 0.00 O ATOM 267 C2' A A 9 4.751 5.242 -7.499 1.00 0.00 C ATOM 268 O2' A A 9 6.003 5.609 -8.088 1.00 0.00 O ATOM 269 C1' A A 9 3.804 6.430 -7.433 1.00 0.00 C ATOM 270 N9 A A 9 3.057 6.428 -6.162 1.00 0.00 N ATOM 271 C8 A A 9 1.985 5.692 -5.785 1.00 0.00 C ATOM 272 N7 A A 9 1.538 5.860 -4.586 1.00 0.00 N ATOM 273 C5 A A 9 2.414 6.829 -4.091 1.00 0.00 C ATOM 274 C6 A A 9 2.513 7.477 -2.854 1.00 0.00 C ATOM 275 N6 A A 9 1.686 7.238 -1.836 1.00 0.00 N ATOM 276 N1 A A 9 3.496 8.378 -2.705 1.00 0.00 N ATOM 277 C2 A A 9 4.335 8.633 -3.709 1.00 0.00 C ATOM 278 N3 A A 9 4.334 8.081 -4.918 1.00 0.00 N ATOM 279 C4 A A 9 3.340 7.180 -5.044 1.00 0.00 C ATOM 0 H5' A A 9 1.283 4.133 -10.133 1.00 0.00 H new ATOM 0 H5'' A A 9 1.640 3.456 -8.556 1.00 0.00 H new ATOM 0 H4' A A 9 3.276 5.085 -10.203 1.00 0.00 H new ATOM 0 H3' A A 9 3.554 3.419 -7.792 1.00 0.00 H new ATOM 0 H2' A A 9 4.994 4.851 -6.511 1.00 0.00 H new ATOM 0 HO2' A A 9 6.131 5.110 -8.922 1.00 0.00 H new ATOM 0 H1' A A 9 4.355 7.370 -7.467 1.00 0.00 H new ATOM 0 H8 A A 9 1.521 4.990 -6.462 1.00 0.00 H new ATOM 0 H61 A A 9 1.803 7.739 -0.955 1.00 0.00 H new ATOM 0 H62 A A 9 0.936 6.554 -1.938 1.00 0.00 H new ATOM 0 H2 A A 9 5.101 9.370 -3.519 1.00 0.00 H new ATOM 291 P G A 10 5.848 2.405 -8.914 1.00 0.00 P ATOM 292 OP1 G A 10 7.131 2.479 -9.649 1.00 0.00 O ATOM 293 OP2 G A 10 4.984 1.213 -9.061 1.00 0.00 O ATOM 294 O5' G A 10 6.154 2.616 -7.345 1.00 0.00 O ATOM 295 C5' G A 10 7.501 2.760 -6.884 1.00 0.00 C ATOM 296 C4' G A 10 7.560 3.203 -5.424 1.00 0.00 C ATOM 297 O4' G A 10 6.552 4.175 -5.124 1.00 0.00 O ATOM 298 C3' G A 10 7.276 2.050 -4.478 1.00 0.00 C ATOM 299 O3' G A 10 8.502 1.373 -4.190 1.00 0.00 O ATOM 300 C2' G A 10 6.817 2.769 -3.226 1.00 0.00 C ATOM 301 O2' G A 10 7.926 3.224 -2.441 1.00 0.00 O ATOM 302 C1' G A 10 6.024 3.936 -3.804 1.00 0.00 C ATOM 303 N9 G A 10 4.585 3.610 -3.847 1.00 0.00 N ATOM 304 C8 G A 10 3.846 3.069 -4.845 1.00 0.00 C ATOM 305 N7 G A 10 2.593 2.856 -4.617 1.00 0.00 N ATOM 306 C5 G A 10 2.461 3.311 -3.301 1.00 0.00 C ATOM 307 C6 G A 10 1.315 3.351 -2.457 1.00 0.00 C ATOM 308 O6 G A 10 0.167 2.986 -2.706 1.00 0.00 O ATOM 309 N1 G A 10 1.622 3.883 -1.211 1.00 0.00 N ATOM 310 C2 G A 10 2.870 4.323 -0.818 1.00 0.00 C ATOM 311 N2 G A 10 2.963 4.803 0.420 1.00 0.00 N ATOM 312 N3 G A 10 3.949 4.289 -1.604 1.00 0.00 N ATOM 313 C4 G A 10 3.679 3.775 -2.823 1.00 0.00 C ATOM 0 H5' G A 10 8.021 3.489 -7.506 1.00 0.00 H new ATOM 0 H5'' G A 10 8.026 1.812 -6.997 1.00 0.00 H new ATOM 0 H4' G A 10 8.565 3.604 -5.290 1.00 0.00 H new ATOM 0 H3' G A 10 6.565 1.321 -4.866 1.00 0.00 H new ATOM 0 H2' G A 10 6.242 2.140 -2.546 1.00 0.00 H new ATOM 0 HO2' G A 10 8.742 2.764 -2.730 1.00 0.00 H new ATOM 0 H1' G A 10 6.120 4.830 -3.188 1.00 0.00 H new ATOM 0 H8 G A 10 4.290 2.824 -5.799 1.00 0.00 H new ATOM 0 H1 G A 10 0.864 3.954 -0.532 1.00 0.00 H new ATOM 0 H21 G A 10 3.859 5.144 0.769 1.00 0.00 H new ATOM 0 H22 G A 10 2.138 4.830 1.020 1.00 0.00 H new ATOM 325 P A A 11 8.520 -0.226 -4.006 1.00 0.00 P ATOM 326 OP1 A A 11 9.931 -0.673 -3.960 1.00 0.00 O ATOM 327 OP2 A A 11 7.593 -0.816 -4.997 1.00 0.00 O ATOM 328 O5' A A 11 7.880 -0.420 -2.541 1.00 0.00 O ATOM 329 C5' A A 11 8.705 -0.340 -1.375 1.00 0.00 C ATOM 330 C4' A A 11 7.885 -0.052 -0.118 1.00 0.00 C ATOM 331 O4' A A 11 6.843 0.888 -0.370 1.00 0.00 O ATOM 332 C3' A A 11 7.165 -1.293 0.372 1.00 0.00 C ATOM 333 O3' A A 11 8.036 -2.023 1.241 1.00 0.00 O ATOM 334 C2' A A 11 6.035 -0.713 1.207 1.00 0.00 C ATOM 335 O2' A A 11 6.441 -0.499 2.564 1.00 0.00 O ATOM 336 C1' A A 11 5.730 0.611 0.500 1.00 0.00 C ATOM 337 N9 A A 11 4.465 0.511 -0.253 1.00 0.00 N ATOM 338 C8 A A 11 4.252 0.352 -1.584 1.00 0.00 C ATOM 339 N7 A A 11 3.026 0.264 -1.984 1.00 0.00 N ATOM 340 C5 A A 11 2.327 0.378 -0.778 1.00 0.00 C ATOM 341 C6 A A 11 0.962 0.368 -0.466 1.00 0.00 C ATOM 342 N6 A A 11 0.004 0.228 -1.383 1.00 0.00 N ATOM 343 N1 A A 11 0.621 0.504 0.828 1.00 0.00 N ATOM 344 C2 A A 11 1.563 0.644 1.762 1.00 0.00 C ATOM 345 N3 A A 11 2.879 0.669 1.580 1.00 0.00 N ATOM 346 C4 A A 11 3.196 0.530 0.278 1.00 0.00 C ATOM 0 H5' A A 11 9.450 0.444 -1.510 1.00 0.00 H new ATOM 0 H5'' A A 11 9.247 -1.277 -1.248 1.00 0.00 H new ATOM 0 H4' A A 11 8.605 0.322 0.610 1.00 0.00 H new ATOM 0 H3' A A 11 6.838 -1.956 -0.429 1.00 0.00 H new ATOM 0 H2' A A 11 5.170 -1.373 1.273 1.00 0.00 H new ATOM 0 HO2' A A 11 7.236 -1.038 2.756 1.00 0.00 H new ATOM 0 H1' A A 11 5.604 1.423 1.217 1.00 0.00 H new ATOM 0 H8 A A 11 5.075 0.301 -2.282 1.00 0.00 H new ATOM 0 H61 A A 11 -0.976 0.228 -1.101 1.00 0.00 H new ATOM 0 H62 A A 11 0.251 0.121 -2.367 1.00 0.00 H new ATOM 0 H2 A A 11 1.217 0.749 2.780 1.00 0.00 H new ATOM 358 P A A 12 7.743 -3.575 1.560 1.00 0.00 P ATOM 359 OP1 A A 12 8.991 -4.189 2.065 1.00 0.00 O ATOM 360 OP2 A A 12 7.053 -4.165 0.391 1.00 0.00 O ATOM 361 O5' A A 12 6.691 -3.495 2.779 1.00 0.00 O ATOM 362 C5' A A 12 7.150 -3.470 4.132 1.00 0.00 C ATOM 363 C4' A A 12 6.002 -3.616 5.128 1.00 0.00 C ATOM 364 O4' A A 12 4.979 -2.640 4.899 1.00 0.00 O ATOM 365 C3' A A 12 5.310 -4.960 4.985 1.00 0.00 C ATOM 366 O3' A A 12 5.952 -5.900 5.851 1.00 0.00 O ATOM 367 C2' A A 12 3.924 -4.673 5.527 1.00 0.00 C ATOM 368 O2' A A 12 3.889 -4.758 6.956 1.00 0.00 O ATOM 369 C1' A A 12 3.681 -3.247 5.045 1.00 0.00 C ATOM 370 N9 A A 12 2.949 -3.247 3.765 1.00 0.00 N ATOM 371 C8 A A 12 3.422 -3.189 2.496 1.00 0.00 C ATOM 372 N7 A A 12 2.560 -3.218 1.535 1.00 0.00 N ATOM 373 C5 A A 12 1.355 -3.306 2.240 1.00 0.00 C ATOM 374 C6 A A 12 0.020 -3.376 1.830 1.00 0.00 C ATOM 375 N6 A A 12 -0.352 -3.369 0.549 1.00 0.00 N ATOM 376 N1 A A 12 -0.920 -3.455 2.790 1.00 0.00 N ATOM 377 C2 A A 12 -0.570 -3.464 4.077 1.00 0.00 C ATOM 378 N3 A A 12 0.661 -3.402 4.577 1.00 0.00 N ATOM 379 C4 A A 12 1.584 -3.324 3.597 1.00 0.00 C ATOM 0 H5' A A 12 7.676 -2.534 4.319 1.00 0.00 H new ATOM 0 H5'' A A 12 7.868 -4.275 4.286 1.00 0.00 H new ATOM 0 H4' A A 12 6.456 -3.499 6.112 1.00 0.00 H new ATOM 0 H3' A A 12 5.319 -5.360 3.971 1.00 0.00 H new ATOM 0 H2' A A 12 3.168 -5.383 5.192 1.00 0.00 H new ATOM 0 HO2' A A 12 4.713 -5.178 7.279 1.00 0.00 H new ATOM 0 H1' A A 12 3.069 -2.689 5.754 1.00 0.00 H new ATOM 0 H8 A A 12 4.481 -3.121 2.296 1.00 0.00 H new ATOM 0 H61 A A 12 -1.341 -3.422 0.305 1.00 0.00 H new ATOM 0 H62 A A 12 0.353 -3.310 -0.186 1.00 0.00 H new ATOM 0 H2 A A 12 -1.376 -3.529 4.793 1.00 0.00 H new ATOM 391 P C A 13 6.135 -7.432 5.388 1.00 0.00 P ATOM 392 OP1 C A 13 6.806 -8.168 6.484 1.00 0.00 O ATOM 393 OP2 C A 13 6.718 -7.442 4.029 1.00 0.00 O ATOM 394 O5' C A 13 4.616 -7.956 5.287 1.00 0.00 O ATOM 395 C5' C A 13 3.979 -8.542 6.424 1.00 0.00 C ATOM 396 C4' C A 13 2.479 -8.722 6.205 1.00 0.00 C ATOM 397 O4' C A 13 1.877 -7.538 5.684 1.00 0.00 O ATOM 398 C3' C A 13 2.194 -9.793 5.169 1.00 0.00 C ATOM 399 O3' C A 13 2.097 -11.054 5.837 1.00 0.00 O ATOM 400 C2' C A 13 0.816 -9.413 4.658 1.00 0.00 C ATOM 401 O2' C A 13 -0.219 -10.007 5.451 1.00 0.00 O ATOM 402 C1' C A 13 0.810 -7.888 4.785 1.00 0.00 C ATOM 403 N1 C A 13 0.996 -7.255 3.467 1.00 0.00 N ATOM 404 C2 C A 13 -0.132 -7.082 2.682 1.00 0.00 C ATOM 405 O2 C A 13 -1.231 -7.447 3.097 1.00 0.00 O ATOM 406 N3 C A 13 0.015 -6.506 1.458 1.00 0.00 N ATOM 407 C4 C A 13 1.219 -6.114 1.022 1.00 0.00 C ATOM 408 N4 C A 13 1.326 -5.554 -0.183 1.00 0.00 N ATOM 409 C5 C A 13 2.387 -6.291 1.830 1.00 0.00 C ATOM 410 C6 C A 13 2.229 -6.863 3.039 1.00 0.00 C ATOM 0 H5' C A 13 4.145 -7.913 7.298 1.00 0.00 H new ATOM 0 H5'' C A 13 4.434 -9.510 6.637 1.00 0.00 H new ATOM 0 H4' C A 13 2.076 -8.984 7.183 1.00 0.00 H new ATOM 0 H3' C A 13 2.951 -9.865 4.388 1.00 0.00 H new ATOM 0 H2' C A 13 0.627 -9.759 3.642 1.00 0.00 H new ATOM 0 HO2' C A 13 0.159 -10.731 5.993 1.00 0.00 H new ATOM 0 H1' C A 13 -0.146 -7.533 5.171 1.00 0.00 H new ATOM 0 H41 C A 13 2.238 -5.251 -0.526 1.00 0.00 H new ATOM 0 H42 C A 13 0.496 -5.428 -0.762 1.00 0.00 H new ATOM 0 H5 C A 13 3.360 -5.977 1.483 1.00 0.00 H new ATOM 0 H6 C A 13 3.088 -7.013 3.676 1.00 0.00 H new ATOM 422 P C A 14 2.552 -12.406 5.090 1.00 0.00 P ATOM 423 OP1 C A 14 2.564 -13.503 6.083 1.00 0.00 O ATOM 424 OP2 C A 14 3.769 -12.111 4.301 1.00 0.00 O ATOM 425 O5' C A 14 1.338 -12.664 4.065 1.00 0.00 O ATOM 426 C5' C A 14 0.210 -13.448 4.463 1.00 0.00 C ATOM 427 C4' C A 14 -0.917 -13.371 3.437 1.00 0.00 C ATOM 428 O4' C A 14 -1.129 -12.033 2.999 1.00 0.00 O ATOM 429 C3' C A 14 -0.570 -14.154 2.185 1.00 0.00 C ATOM 430 O3' C A 14 -0.899 -15.540 2.325 1.00 0.00 O ATOM 431 C2' C A 14 -1.432 -13.478 1.130 1.00 0.00 C ATOM 432 O2' C A 14 -2.720 -14.098 1.034 1.00 0.00 O ATOM 433 C1' C A 14 -1.547 -12.036 1.627 1.00 0.00 C ATOM 434 N1 C A 14 -0.707 -11.134 0.817 1.00 0.00 N ATOM 435 C2 C A 14 -1.271 -10.603 -0.332 1.00 0.00 C ATOM 436 O2 C A 14 -2.428 -10.886 -0.637 1.00 0.00 O ATOM 437 N3 C A 14 -0.513 -9.770 -1.097 1.00 0.00 N ATOM 438 C4 C A 14 0.744 -9.472 -0.750 1.00 0.00 C ATOM 439 N4 C A 14 1.459 -8.654 -1.522 1.00 0.00 N ATOM 440 C5 C A 14 1.331 -10.018 0.436 1.00 0.00 C ATOM 441 C6 C A 14 0.573 -10.840 1.188 1.00 0.00 C ATOM 0 H5' C A 14 -0.153 -13.100 5.430 1.00 0.00 H new ATOM 0 H5'' C A 14 0.515 -14.486 4.592 1.00 0.00 H new ATOM 0 H4' C A 14 -1.800 -13.773 3.934 1.00 0.00 H new ATOM 0 H3' C A 14 0.494 -14.146 1.947 1.00 0.00 H new ATOM 0 H2' C A 14 -1.004 -13.547 0.130 1.00 0.00 H new ATOM 0 HO2' C A 14 -2.675 -15.004 1.405 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.665 -16.017 1.501 1.00 0.00 H new ATOM 0 H1' C A 14 -2.572 -11.676 1.537 1.00 0.00 H new ATOM 0 H41 C A 14 2.418 -8.420 -1.266 1.00 0.00 H new ATOM 0 H42 C A 14 1.047 -8.262 -2.368 1.00 0.00 H new ATOM 0 H5 C A 14 2.346 -9.779 0.718 1.00 0.00 H new ATOM 0 H6 C A 14 0.981 -11.269 2.091 1.00 0.00 H new TER 454 C A 14