USER MOD reduce.3.24.130724 H: found=0, std=0, add=165, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 165 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 -12:sc= 1.04 USER MOD Single : A 1 G O5' : rot 24:sc= 0.0162 USER MOD Single : A 2 C O2' : rot -22:sc= 0.312 USER MOD Single : A 3 U O2' : rot -29:sc= 0.279 USER MOD Single : A 4 C O2' : rot -26:sc= 0.277 USER MOD Single : A 5 C O2' : rot -103:sc= 0.996 USER MOD Single : A 6 A O2' : rot -21:sc= 0.482 USER MOD Single : A 7 G O2' : rot 17:sc= 0.252 USER MOD Single : A 8 A O2' : rot -15:sc= 0.379 USER MOD Single : A 9 U O2' : rot -15:sc= 0.265 USER MOD Single : A 10 G O2' : rot -20:sc= 0.035 USER MOD Single : A 11 G O2' : rot -18:sc= 0.241 USER MOD Single : A 12 A O2' : rot -17:sc= 0.234 USER MOD Single : A 13 G O2' : rot -12:sc= -1.08 USER MOD Single : A 14 C O2' : rot -92:sc= 1.12 USER MOD Single : A 15 G O2' : rot -16:sc= 0.193 USER MOD Single : A 15 G O3' : rot 180:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 8.445 10.197 -2.695 1.00 0.00 O ATOM 2 C5' G A 1 7.248 10.635 -2.044 1.00 0.00 C ATOM 3 C4' G A 1 6.242 9.498 -1.898 1.00 0.00 C ATOM 4 O4' G A 1 5.983 8.922 -3.175 1.00 0.00 O ATOM 5 C3' G A 1 6.725 8.311 -1.094 1.00 0.00 C ATOM 6 O3' G A 1 6.453 8.589 0.285 1.00 0.00 O ATOM 7 C2' G A 1 5.777 7.202 -1.543 1.00 0.00 C ATOM 8 O2' G A 1 4.554 7.249 -0.800 1.00 0.00 O ATOM 9 C1' G A 1 5.524 7.569 -3.014 1.00 0.00 C ATOM 10 N9 G A 1 6.277 6.709 -3.948 1.00 0.00 N ATOM 11 C8 G A 1 7.169 7.084 -4.917 1.00 0.00 C ATOM 12 N7 G A 1 7.647 6.088 -5.607 1.00 0.00 N ATOM 13 C5 G A 1 7.031 4.971 -5.054 1.00 0.00 C ATOM 14 C6 G A 1 7.160 3.595 -5.391 1.00 0.00 C ATOM 15 O6 G A 1 7.852 3.084 -6.264 1.00 0.00 O ATOM 16 N1 G A 1 6.368 2.800 -4.587 1.00 0.00 N ATOM 17 C2 G A 1 5.554 3.255 -3.585 1.00 0.00 C ATOM 18 N2 G A 1 4.875 2.345 -2.904 1.00 0.00 N ATOM 19 N3 G A 1 5.420 4.540 -3.255 1.00 0.00 N ATOM 20 C4 G A 1 6.189 5.339 -4.032 1.00 0.00 C ATOM 0 H5' G A 1 6.799 11.448 -2.615 1.00 0.00 H new ATOM 0 H5'' G A 1 7.493 11.034 -1.060 1.00 0.00 H new ATOM 0 H4' G A 1 5.392 9.971 -1.407 1.00 0.00 H new ATOM 0 H3' G A 1 7.781 8.075 -1.222 1.00 0.00 H new ATOM 0 H2' G A 1 6.177 6.198 -1.398 1.00 0.00 H new ATOM 0 HO2' G A 1 4.661 7.848 -0.032 1.00 0.00 H new ATOM 0 HO5' G A 1 8.250 9.408 -3.242 1.00 0.00 H new ATOM 0 H1' G A 1 4.465 7.442 -3.240 1.00 0.00 H new ATOM 0 H8 G A 1 7.450 8.112 -5.093 1.00 0.00 H new ATOM 0 H1 G A 1 6.391 1.794 -4.753 1.00 0.00 H new ATOM 0 H21 G A 1 4.254 2.632 -2.147 1.00 0.00 H new ATOM 0 H22 G A 1 4.972 1.357 -3.136 1.00 0.00 H new ATOM 33 P C A 2 7.563 8.285 1.415 1.00 0.00 P ATOM 34 OP1 C A 2 7.084 8.845 2.698 1.00 0.00 O ATOM 35 OP2 C A 2 8.886 8.681 0.883 1.00 0.00 O ATOM 36 O5' C A 2 7.522 6.677 1.515 1.00 0.00 O ATOM 37 C5' C A 2 6.439 6.017 2.182 1.00 0.00 C ATOM 38 C4' C A 2 6.335 4.548 1.787 1.00 0.00 C ATOM 39 O4' C A 2 6.173 4.433 0.371 1.00 0.00 O ATOM 40 C3' C A 2 7.569 3.711 2.049 1.00 0.00 C ATOM 41 O3' C A 2 7.523 3.273 3.414 1.00 0.00 O ATOM 42 C2' C A 2 7.305 2.501 1.165 1.00 0.00 C ATOM 43 O2' C A 2 6.382 1.604 1.792 1.00 0.00 O ATOM 44 C1' C A 2 6.666 3.152 -0.071 1.00 0.00 C ATOM 45 N1 C A 2 7.641 3.340 -1.169 1.00 0.00 N ATOM 46 C2 C A 2 7.967 2.225 -1.923 1.00 0.00 C ATOM 47 O2 C A 2 7.452 1.140 -1.679 1.00 0.00 O ATOM 48 N3 C A 2 8.862 2.355 -2.937 1.00 0.00 N ATOM 49 C4 C A 2 9.420 3.540 -3.202 1.00 0.00 C ATOM 50 N4 C A 2 10.281 3.602 -4.213 1.00 0.00 N ATOM 51 C5 C A 2 9.093 4.699 -2.431 1.00 0.00 C ATOM 52 C6 C A 2 8.205 4.558 -1.430 1.00 0.00 C ATOM 0 H5' C A 2 5.504 6.524 1.944 1.00 0.00 H new ATOM 0 H5'' C A 2 6.577 6.094 3.261 1.00 0.00 H new ATOM 0 H4' C A 2 5.501 4.191 2.391 1.00 0.00 H new ATOM 0 H3' C A 2 8.516 4.219 1.866 1.00 0.00 H new ATOM 0 H2' C A 2 8.194 1.908 0.950 1.00 0.00 H new ATOM 0 HO2' C A 2 6.384 1.757 2.760 1.00 0.00 H new ATOM 0 H1' C A 2 5.876 2.515 -0.469 1.00 0.00 H new ATOM 0 H41 C A 2 10.729 4.488 -4.448 1.00 0.00 H new ATOM 0 H42 C A 2 10.494 2.764 -4.754 1.00 0.00 H new ATOM 0 H5 C A 2 9.544 5.657 -2.645 1.00 0.00 H new ATOM 0 H6 C A 2 7.936 5.413 -0.828 1.00 0.00 H new ATOM 64 P U A 3 8.864 2.780 4.164 1.00 0.00 P ATOM 65 OP1 U A 3 8.562 2.644 5.607 1.00 0.00 O ATOM 66 OP2 U A 3 9.985 3.640 3.723 1.00 0.00 O ATOM 67 O5' U A 3 9.093 1.307 3.548 1.00 0.00 O ATOM 68 C5' U A 3 8.476 0.156 4.141 1.00 0.00 C ATOM 69 C4' U A 3 8.919 -1.139 3.466 1.00 0.00 C ATOM 70 O4' U A 3 8.583 -1.092 2.074 1.00 0.00 O ATOM 71 C3' U A 3 10.418 -1.381 3.457 1.00 0.00 C ATOM 72 O3' U A 3 10.758 -2.060 4.673 1.00 0.00 O ATOM 73 C2' U A 3 10.560 -2.373 2.315 1.00 0.00 C ATOM 74 O2' U A 3 10.136 -3.679 2.720 1.00 0.00 O ATOM 75 C1' U A 3 9.582 -1.783 1.295 1.00 0.00 C ATOM 76 N1 U A 3 10.228 -0.812 0.384 1.00 0.00 N ATOM 77 C2 U A 3 10.776 -1.302 -0.787 1.00 0.00 C ATOM 78 O2 U A 3 10.752 -2.492 -1.083 1.00 0.00 O ATOM 79 N3 U A 3 11.359 -0.371 -1.618 1.00 0.00 N ATOM 80 C4 U A 3 11.442 0.985 -1.386 1.00 0.00 C ATOM 81 O4 U A 3 11.983 1.712 -2.211 1.00 0.00 O ATOM 82 C5 U A 3 10.851 1.423 -0.144 1.00 0.00 C ATOM 83 C6 U A 3 10.272 0.523 0.688 1.00 0.00 C ATOM 0 H5' U A 3 7.392 0.249 4.072 1.00 0.00 H new ATOM 0 H5'' U A 3 8.725 0.116 5.201 1.00 0.00 H new ATOM 0 H4' U A 3 8.420 -1.918 4.043 1.00 0.00 H new ATOM 0 H3' U A 3 11.028 -0.483 3.362 1.00 0.00 H new ATOM 0 H2' U A 3 11.579 -2.498 1.950 1.00 0.00 H new ATOM 0 HO2' U A 3 10.290 -3.789 3.681 1.00 0.00 H new ATOM 0 H1' U A 3 9.176 -2.578 0.669 1.00 0.00 H new ATOM 0 H3 U A 3 11.767 -0.717 -2.486 1.00 0.00 H new ATOM 0 H5 U A 3 10.870 2.469 0.123 1.00 0.00 H new ATOM 0 H6 U A 3 9.835 0.867 1.614 1.00 0.00 H new ATOM 94 P C A 4 12.198 -1.835 5.365 1.00 0.00 P ATOM 95 OP1 C A 4 12.185 -2.499 6.688 1.00 0.00 O ATOM 96 OP2 C A 4 12.542 -0.399 5.261 1.00 0.00 O ATOM 97 O5' C A 4 13.189 -2.659 4.395 1.00 0.00 O ATOM 98 C5' C A 4 13.203 -4.092 4.404 1.00 0.00 C ATOM 99 C4' C A 4 13.893 -4.662 3.168 1.00 0.00 C ATOM 100 O4' C A 4 13.264 -4.142 1.990 1.00 0.00 O ATOM 101 C3' C A 4 15.346 -4.261 2.994 1.00 0.00 C ATOM 102 O3' C A 4 16.149 -5.214 3.710 1.00 0.00 O ATOM 103 C2' C A 4 15.555 -4.506 1.509 1.00 0.00 C ATOM 104 O2' C A 4 15.700 -5.904 1.236 1.00 0.00 O ATOM 105 C1' C A 4 14.236 -3.978 0.937 1.00 0.00 C ATOM 106 N1 C A 4 14.309 -2.546 0.567 1.00 0.00 N ATOM 107 C2 C A 4 14.682 -2.237 -0.734 1.00 0.00 C ATOM 108 O2 C A 4 14.941 -3.129 -1.533 1.00 0.00 O ATOM 109 N3 C A 4 14.759 -0.930 -1.099 1.00 0.00 N ATOM 110 C4 C A 4 14.481 0.041 -0.223 1.00 0.00 C ATOM 111 N4 C A 4 14.577 1.297 -0.649 1.00 0.00 N ATOM 112 C5 C A 4 14.096 -0.265 1.119 1.00 0.00 C ATOM 113 C6 C A 4 14.023 -1.564 1.471 1.00 0.00 C ATOM 0 H5' C A 4 12.180 -4.465 4.453 1.00 0.00 H new ATOM 0 H5'' C A 4 13.714 -4.444 5.300 1.00 0.00 H new ATOM 0 H4' C A 4 13.821 -5.741 3.305 1.00 0.00 H new ATOM 0 H3' C A 4 15.588 -3.253 3.331 1.00 0.00 H new ATOM 0 H2' C A 4 16.449 -4.037 1.097 1.00 0.00 H new ATOM 0 HO2' C A 4 16.045 -6.359 2.032 1.00 0.00 H new ATOM 0 H1' C A 4 13.984 -4.521 0.026 1.00 0.00 H new ATOM 0 H41 C A 4 14.374 2.068 -0.013 1.00 0.00 H new ATOM 0 H42 C A 4 14.854 1.489 -1.612 1.00 0.00 H new ATOM 0 H5 C A 4 13.871 0.519 1.827 1.00 0.00 H new ATOM 0 H6 C A 4 13.736 -1.830 2.477 1.00 0.00 H new ATOM 125 P C A 5 17.587 -4.796 4.308 1.00 0.00 P ATOM 126 OP1 C A 5 18.074 -5.905 5.159 1.00 0.00 O ATOM 127 OP2 C A 5 17.477 -3.430 4.866 1.00 0.00 O ATOM 128 O5' C A 5 18.511 -4.723 2.988 1.00 0.00 O ATOM 129 C5' C A 5 19.108 -5.906 2.439 1.00 0.00 C ATOM 130 C4' C A 5 19.880 -5.606 1.158 1.00 0.00 C ATOM 131 O4' C A 5 18.990 -5.021 0.196 1.00 0.00 O ATOM 132 C3' C A 5 20.981 -4.568 1.298 1.00 0.00 C ATOM 133 O3' C A 5 22.186 -5.255 1.670 1.00 0.00 O ATOM 134 C2' C A 5 21.141 -4.089 -0.134 1.00 0.00 C ATOM 135 O2' C A 5 21.863 -5.046 -0.916 1.00 0.00 O ATOM 136 C1' C A 5 19.679 -4.018 -0.578 1.00 0.00 C ATOM 137 N1 C A 5 19.071 -2.701 -0.296 1.00 0.00 N ATOM 138 C2 C A 5 19.122 -1.737 -1.293 1.00 0.00 C ATOM 139 O2 C A 5 19.650 -1.987 -2.374 1.00 0.00 O ATOM 140 N3 C A 5 18.580 -0.517 -1.048 1.00 0.00 N ATOM 141 C4 C A 5 18.012 -0.246 0.130 1.00 0.00 C ATOM 142 N4 C A 5 17.511 0.973 0.308 1.00 0.00 N ATOM 143 C5 C A 5 17.953 -1.230 1.163 1.00 0.00 C ATOM 144 C6 C A 5 18.491 -2.436 0.911 1.00 0.00 C ATOM 0 H5' C A 5 18.332 -6.643 2.232 1.00 0.00 H new ATOM 0 H5'' C A 5 19.780 -6.349 3.174 1.00 0.00 H new ATOM 0 H4' C A 5 20.312 -6.567 0.877 1.00 0.00 H new ATOM 0 H3' C A 5 20.776 -3.779 2.022 1.00 0.00 H new ATOM 0 H2' C A 5 21.695 -3.156 -0.240 1.00 0.00 H new ATOM 0 HO2' C A 5 22.784 -4.737 -1.042 1.00 0.00 H new ATOM 0 H1' C A 5 19.609 -4.176 -1.654 1.00 0.00 H new ATOM 0 H41 C A 5 17.069 1.218 1.194 1.00 0.00 H new ATOM 0 H42 C A 5 17.569 1.662 -0.441 1.00 0.00 H new ATOM 0 H5 C A 5 17.492 -1.013 2.115 1.00 0.00 H new ATOM 0 H6 C A 5 18.464 -3.203 1.671 1.00 0.00 H new ATOM 156 P A A 6 23.121 -4.679 2.850 1.00 0.00 P ATOM 157 OP1 A A 6 22.274 -4.466 4.045 1.00 0.00 O ATOM 158 OP2 A A 6 23.919 -3.560 2.305 1.00 0.00 O ATOM 159 O5' A A 6 24.115 -5.914 3.155 1.00 0.00 O ATOM 160 C5' A A 6 25.402 -6.011 2.524 1.00 0.00 C ATOM 161 C4' A A 6 25.379 -6.966 1.329 1.00 0.00 C ATOM 162 O4' A A 6 24.820 -8.210 1.739 1.00 0.00 O ATOM 163 C3' A A 6 24.483 -6.542 0.180 1.00 0.00 C ATOM 164 O3' A A 6 25.272 -5.735 -0.708 1.00 0.00 O ATOM 165 C2' A A 6 24.198 -7.860 -0.535 1.00 0.00 C ATOM 166 O2' A A 6 25.232 -8.150 -1.482 1.00 0.00 O ATOM 167 C1' A A 6 24.226 -8.879 0.616 1.00 0.00 C ATOM 168 N9 A A 6 22.872 -9.319 1.009 1.00 0.00 N ATOM 169 C8 A A 6 21.889 -8.596 1.637 1.00 0.00 C ATOM 170 N7 A A 6 20.800 -9.280 1.858 1.00 0.00 N ATOM 171 C5 A A 6 21.087 -10.538 1.341 1.00 0.00 C ATOM 172 C6 A A 6 20.343 -11.727 1.262 1.00 0.00 C ATOM 173 N6 A A 6 19.102 -11.851 1.725 1.00 0.00 N ATOM 174 N1 A A 6 20.923 -12.791 0.687 1.00 0.00 N ATOM 175 C2 A A 6 22.162 -12.678 0.223 1.00 0.00 C ATOM 176 N3 A A 6 22.963 -11.624 0.235 1.00 0.00 N ATOM 177 C4 A A 6 22.348 -10.573 0.819 1.00 0.00 C ATOM 0 H5' A A 6 26.138 -6.356 3.251 1.00 0.00 H new ATOM 0 H5'' A A 6 25.720 -5.022 2.193 1.00 0.00 H new ATOM 0 H4' A A 6 26.416 -6.998 0.995 1.00 0.00 H new ATOM 0 H3' A A 6 23.590 -5.998 0.489 1.00 0.00 H new ATOM 0 H2' A A 6 23.263 -7.858 -1.095 1.00 0.00 H new ATOM 0 HO2' A A 6 25.699 -7.322 -1.720 1.00 0.00 H new ATOM 0 H1' A A 6 24.780 -9.762 0.298 1.00 0.00 H new ATOM 0 H8 A A 6 22.006 -7.561 1.921 1.00 0.00 H new ATOM 0 H61 A A 6 18.612 -12.741 1.639 1.00 0.00 H new ATOM 0 H62 A A 6 18.641 -11.056 2.166 1.00 0.00 H new ATOM 0 H2 A A 6 22.573 -13.570 -0.227 1.00 0.00 H new ATOM 189 P G A 7 25.386 -4.142 -0.489 1.00 0.00 P ATOM 190 OP1 G A 7 26.271 -3.893 0.669 1.00 0.00 O ATOM 191 OP2 G A 7 24.018 -3.579 -0.510 1.00 0.00 O ATOM 192 O5' G A 7 26.149 -3.653 -1.824 1.00 0.00 O ATOM 193 C5' G A 7 27.242 -2.725 -1.748 1.00 0.00 C ATOM 194 C4' G A 7 26.793 -1.281 -1.985 1.00 0.00 C ATOM 195 O4' G A 7 26.255 -1.164 -3.307 1.00 0.00 O ATOM 196 C3' G A 7 25.685 -0.792 -1.061 1.00 0.00 C ATOM 197 O3' G A 7 25.827 0.632 -0.949 1.00 0.00 O ATOM 198 C2' G A 7 24.406 -1.064 -1.832 1.00 0.00 C ATOM 199 O2' G A 7 23.394 -0.113 -1.478 1.00 0.00 O ATOM 200 C1' G A 7 24.852 -0.862 -3.275 1.00 0.00 C ATOM 201 N9 G A 7 24.180 -1.805 -4.176 1.00 0.00 N ATOM 202 C8 G A 7 24.223 -3.169 -4.135 1.00 0.00 C ATOM 203 N7 G A 7 23.530 -3.744 -5.079 1.00 0.00 N ATOM 204 C5 G A 7 22.990 -2.676 -5.793 1.00 0.00 C ATOM 205 C6 G A 7 22.144 -2.672 -6.937 1.00 0.00 C ATOM 206 O6 G A 7 21.699 -3.630 -7.562 1.00 0.00 O ATOM 207 N1 G A 7 21.833 -1.385 -7.335 1.00 0.00 N ATOM 208 C2 G A 7 22.275 -0.240 -6.719 1.00 0.00 C ATOM 209 N2 G A 7 21.872 0.913 -7.231 1.00 0.00 N ATOM 210 N3 G A 7 23.069 -0.228 -5.650 1.00 0.00 N ATOM 211 C4 G A 7 23.385 -1.480 -5.244 1.00 0.00 C ATOM 0 H5' G A 7 27.997 -2.995 -2.486 1.00 0.00 H new ATOM 0 H5'' G A 7 27.713 -2.801 -0.768 1.00 0.00 H new ATOM 0 H4' G A 7 27.687 -0.684 -1.806 1.00 0.00 H new ATOM 0 H3' G A 7 25.700 -1.259 -0.076 1.00 0.00 H new ATOM 0 H2' G A 7 23.974 -2.046 -1.639 1.00 0.00 H new ATOM 0 HO2' G A 7 23.809 0.659 -1.039 1.00 0.00 H new ATOM 0 H1' G A 7 24.618 0.153 -3.595 1.00 0.00 H new ATOM 0 H8 G A 7 24.779 -3.720 -3.391 1.00 0.00 H new ATOM 0 H1 G A 7 21.228 -1.278 -8.149 1.00 0.00 H new ATOM 0 H21 G A 7 22.173 1.791 -6.809 1.00 0.00 H new ATOM 0 H22 G A 7 21.260 0.923 -8.047 1.00 0.00 H new ATOM 223 P A A 8 26.245 1.315 0.448 1.00 0.00 P ATOM 224 OP1 A A 8 27.645 0.936 0.749 1.00 0.00 O ATOM 225 OP2 A A 8 25.177 1.040 1.436 1.00 0.00 O ATOM 226 O5' A A 8 26.215 2.888 0.093 1.00 0.00 O ATOM 227 C5' A A 8 25.078 3.473 -0.557 1.00 0.00 C ATOM 228 C4' A A 8 24.795 4.880 -0.036 1.00 0.00 C ATOM 229 O4' A A 8 25.892 5.738 -0.353 1.00 0.00 O ATOM 230 C3' A A 8 23.617 5.573 -0.686 1.00 0.00 C ATOM 231 O3' A A 8 22.446 5.200 0.056 1.00 0.00 O ATOM 232 C2' A A 8 23.900 7.041 -0.391 1.00 0.00 C ATOM 233 O2' A A 8 23.463 7.384 0.928 1.00 0.00 O ATOM 234 C1' A A 8 25.433 7.096 -0.482 1.00 0.00 C ATOM 235 N9 A A 8 25.912 7.645 -1.766 1.00 0.00 N ATOM 236 C8 A A 8 26.597 7.011 -2.772 1.00 0.00 C ATOM 237 N7 A A 8 26.895 7.792 -3.774 1.00 0.00 N ATOM 238 C5 A A 8 26.368 9.026 -3.402 1.00 0.00 C ATOM 239 C6 A A 8 26.345 10.281 -4.030 1.00 0.00 C ATOM 240 N6 A A 8 26.890 10.523 -5.219 1.00 0.00 N ATOM 241 N1 A A 8 25.741 11.292 -3.388 1.00 0.00 N ATOM 242 C2 A A 8 25.196 11.066 -2.200 1.00 0.00 C ATOM 243 N3 A A 8 25.149 9.939 -1.505 1.00 0.00 N ATOM 244 C4 A A 8 25.766 8.947 -2.179 1.00 0.00 C ATOM 0 H5' A A 8 24.203 2.843 -0.398 1.00 0.00 H new ATOM 0 H5'' A A 8 25.252 3.511 -1.632 1.00 0.00 H new ATOM 0 H4' A A 8 24.607 4.733 1.028 1.00 0.00 H new ATOM 0 H3' A A 8 23.479 5.345 -1.743 1.00 0.00 H new ATOM 0 H2' A A 8 23.391 7.732 -1.063 1.00 0.00 H new ATOM 0 HO2' A A 8 22.866 6.685 1.267 1.00 0.00 H new ATOM 0 H1' A A 8 25.816 7.753 0.298 1.00 0.00 H new ATOM 0 H8 A A 8 26.864 5.965 -2.738 1.00 0.00 H new ATOM 0 H61 A A 8 26.839 11.459 -5.622 1.00 0.00 H new ATOM 0 H62 A A 8 27.358 9.773 -5.727 1.00 0.00 H new ATOM 0 H2 A A 8 24.725 11.919 -1.735 1.00 0.00 H new ATOM 256 P U A 9 21.064 4.853 -0.697 1.00 0.00 P ATOM 257 OP1 U A 9 20.079 4.423 0.321 1.00 0.00 O ATOM 258 OP2 U A 9 21.373 3.966 -1.843 1.00 0.00 O ATOM 259 O5' U A 9 20.608 6.291 -1.269 1.00 0.00 O ATOM 260 C5' U A 9 20.367 6.483 -2.668 1.00 0.00 C ATOM 261 C4' U A 9 20.837 7.855 -3.140 1.00 0.00 C ATOM 262 O4' U A 9 22.257 7.957 -2.963 1.00 0.00 O ATOM 263 C3' U A 9 20.641 8.120 -4.622 1.00 0.00 C ATOM 264 O3' U A 9 19.342 8.705 -4.788 1.00 0.00 O ATOM 265 C2' U A 9 21.676 9.196 -4.892 1.00 0.00 C ATOM 266 O2' U A 9 21.229 10.467 -4.406 1.00 0.00 O ATOM 267 C1' U A 9 22.851 8.684 -4.057 1.00 0.00 C ATOM 268 N1 U A 9 23.721 7.760 -4.816 1.00 0.00 N ATOM 269 C2 U A 9 24.432 8.275 -5.884 1.00 0.00 C ATOM 270 O2 U A 9 24.366 9.452 -6.219 1.00 0.00 O ATOM 271 N3 U A 9 25.229 7.383 -6.565 1.00 0.00 N ATOM 272 C4 U A 9 25.380 6.043 -6.280 1.00 0.00 C ATOM 273 O4 U A 9 26.130 5.355 -6.964 1.00 0.00 O ATOM 274 C5 U A 9 24.608 5.576 -5.153 1.00 0.00 C ATOM 275 C6 U A 9 23.817 6.436 -4.468 1.00 0.00 C ATOM 0 H5' U A 9 19.302 6.374 -2.872 1.00 0.00 H new ATOM 0 H5'' U A 9 20.881 5.707 -3.235 1.00 0.00 H new ATOM 0 H4' U A 9 20.243 8.558 -2.556 1.00 0.00 H new ATOM 0 H3' U A 9 20.729 7.240 -5.259 1.00 0.00 H new ATOM 0 H2' U A 9 21.900 9.351 -5.947 1.00 0.00 H new ATOM 0 HO2' U A 9 20.267 10.427 -4.223 1.00 0.00 H new ATOM 0 H1' U A 9 23.474 9.521 -3.741 1.00 0.00 H new ATOM 0 H3 U A 9 25.759 7.749 -7.356 1.00 0.00 H new ATOM 0 H5 U A 9 24.661 4.539 -4.856 1.00 0.00 H new ATOM 0 H6 U A 9 23.247 6.070 -3.626 1.00 0.00 H new ATOM 286 P G A 10 18.731 8.958 -6.259 1.00 0.00 P ATOM 287 OP1 G A 10 19.479 10.073 -6.884 1.00 0.00 O ATOM 288 OP2 G A 10 17.259 9.040 -6.137 1.00 0.00 O ATOM 289 O5' G A 10 19.096 7.593 -7.039 1.00 0.00 O ATOM 290 C5' G A 10 20.177 7.549 -7.984 1.00 0.00 C ATOM 291 C4' G A 10 20.789 6.154 -8.078 1.00 0.00 C ATOM 292 O4' G A 10 21.244 5.747 -6.780 1.00 0.00 O ATOM 293 C3' G A 10 19.821 5.053 -8.476 1.00 0.00 C ATOM 294 O3' G A 10 19.831 4.962 -9.907 1.00 0.00 O ATOM 295 C2' G A 10 20.514 3.815 -7.934 1.00 0.00 C ATOM 296 O2' G A 10 21.604 3.433 -8.782 1.00 0.00 O ATOM 297 C1' G A 10 21.030 4.335 -6.592 1.00 0.00 C ATOM 298 N9 G A 10 20.053 4.142 -5.506 1.00 0.00 N ATOM 299 C8 G A 10 19.001 4.946 -5.144 1.00 0.00 C ATOM 300 N7 G A 10 18.327 4.499 -4.123 1.00 0.00 N ATOM 301 C5 G A 10 18.975 3.316 -3.785 1.00 0.00 C ATOM 302 C6 G A 10 18.696 2.383 -2.751 1.00 0.00 C ATOM 303 O6 G A 10 17.806 2.419 -1.905 1.00 0.00 O ATOM 304 N1 G A 10 19.591 1.330 -2.760 1.00 0.00 N ATOM 305 C2 G A 10 20.624 1.182 -3.647 1.00 0.00 C ATOM 306 N2 G A 10 21.380 0.103 -3.511 1.00 0.00 N ATOM 307 N3 G A 10 20.901 2.046 -4.621 1.00 0.00 N ATOM 308 C4 G A 10 20.036 3.088 -4.629 1.00 0.00 C ATOM 0 H5' G A 10 20.945 8.264 -7.691 1.00 0.00 H new ATOM 0 H5'' G A 10 19.815 7.854 -8.966 1.00 0.00 H new ATOM 0 H4' G A 10 21.565 6.256 -8.836 1.00 0.00 H new ATOM 0 H3' G A 10 18.799 5.196 -8.124 1.00 0.00 H new ATOM 0 H2' G A 10 19.877 2.933 -7.864 1.00 0.00 H new ATOM 0 HO2' G A 10 21.483 3.830 -9.670 1.00 0.00 H new ATOM 0 H1' G A 10 21.933 3.796 -6.305 1.00 0.00 H new ATOM 0 H8 G A 10 18.755 5.864 -5.658 1.00 0.00 H new ATOM 0 H1 G A 10 19.473 0.607 -2.051 1.00 0.00 H new ATOM 0 H21 G A 10 22.162 -0.055 -4.146 1.00 0.00 H new ATOM 0 H22 G A 10 21.180 -0.570 -2.771 1.00 0.00 H new ATOM 320 P G A 11 18.614 4.251 -10.688 1.00 0.00 P ATOM 321 OP1 G A 11 18.967 4.177 -12.125 1.00 0.00 O ATOM 322 OP2 G A 11 17.352 4.901 -10.271 1.00 0.00 O ATOM 323 O5' G A 11 18.636 2.756 -10.083 1.00 0.00 O ATOM 324 C5' G A 11 19.516 1.758 -10.617 1.00 0.00 C ATOM 325 C4' G A 11 19.272 0.391 -9.985 1.00 0.00 C ATOM 326 O4' G A 11 19.563 0.446 -8.581 1.00 0.00 O ATOM 327 C3' G A 11 17.833 -0.085 -10.019 1.00 0.00 C ATOM 328 O3' G A 11 17.623 -0.743 -11.277 1.00 0.00 O ATOM 329 C2' G A 11 17.840 -1.146 -8.931 1.00 0.00 C ATOM 330 O2' G A 11 18.470 -2.346 -9.392 1.00 0.00 O ATOM 331 C1' G A 11 18.700 -0.461 -7.863 1.00 0.00 C ATOM 332 N9 G A 11 17.890 0.306 -6.897 1.00 0.00 N ATOM 333 C8 G A 11 17.497 1.617 -6.951 1.00 0.00 C ATOM 334 N7 G A 11 16.766 1.988 -5.936 1.00 0.00 N ATOM 335 C5 G A 11 16.670 0.840 -5.155 1.00 0.00 C ATOM 336 C6 G A 11 15.997 0.623 -3.920 1.00 0.00 C ATOM 337 O6 G A 11 15.334 1.416 -3.257 1.00 0.00 O ATOM 338 N1 G A 11 16.153 -0.678 -3.477 1.00 0.00 N ATOM 339 C2 G A 11 16.863 -1.652 -4.130 1.00 0.00 C ATOM 340 N2 G A 11 16.910 -2.847 -3.559 1.00 0.00 N ATOM 341 N3 G A 11 17.498 -1.467 -5.284 1.00 0.00 N ATOM 342 C4 G A 11 17.357 -0.197 -5.738 1.00 0.00 C ATOM 0 H5' G A 11 20.550 2.057 -10.448 1.00 0.00 H new ATOM 0 H5'' G A 11 19.376 1.690 -11.696 1.00 0.00 H new ATOM 0 H4' G A 11 19.904 -0.278 -10.569 1.00 0.00 H new ATOM 0 H3' G A 11 17.084 0.697 -9.891 1.00 0.00 H new ATOM 0 H2' G A 11 16.850 -1.451 -8.592 1.00 0.00 H new ATOM 0 HO2' G A 11 18.502 -2.343 -10.371 1.00 0.00 H new ATOM 0 H1' G A 11 19.246 -1.209 -7.288 1.00 0.00 H new ATOM 0 H8 G A 11 17.767 2.282 -7.758 1.00 0.00 H new ATOM 0 H1 G A 11 15.705 -0.932 -2.597 1.00 0.00 H new ATOM 0 H21 G A 11 17.426 -3.606 -4.005 1.00 0.00 H new ATOM 0 H22 G A 11 16.431 -3.008 -2.673 1.00 0.00 H new ATOM 354 P A A 12 16.144 -0.858 -11.908 1.00 0.00 P ATOM 355 OP1 A A 12 16.266 -1.391 -13.284 1.00 0.00 O ATOM 356 OP2 A A 12 15.438 0.422 -11.674 1.00 0.00 O ATOM 357 O5' A A 12 15.455 -1.987 -10.987 1.00 0.00 O ATOM 358 C5' A A 12 15.772 -3.374 -11.167 1.00 0.00 C ATOM 359 C4' A A 12 15.204 -4.236 -10.043 1.00 0.00 C ATOM 360 O4' A A 12 15.698 -3.762 -8.783 1.00 0.00 O ATOM 361 C3' A A 12 13.697 -4.167 -9.875 1.00 0.00 C ATOM 362 O3' A A 12 13.114 -5.155 -10.737 1.00 0.00 O ATOM 363 C2' A A 12 13.527 -4.642 -8.443 1.00 0.00 C ATOM 364 O2' A A 12 13.700 -6.061 -8.355 1.00 0.00 O ATOM 365 C1' A A 12 14.689 -3.913 -7.764 1.00 0.00 C ATOM 366 N9 A A 12 14.302 -2.574 -7.280 1.00 0.00 N ATOM 367 C8 A A 12 14.314 -1.382 -7.959 1.00 0.00 C ATOM 368 N7 A A 12 13.905 -0.369 -7.245 1.00 0.00 N ATOM 369 C5 A A 12 13.602 -0.934 -6.011 1.00 0.00 C ATOM 370 C6 A A 12 13.115 -0.393 -4.810 1.00 0.00 C ATOM 371 N6 A A 12 12.839 0.897 -4.644 1.00 0.00 N ATOM 372 N1 A A 12 12.924 -1.228 -3.778 1.00 0.00 N ATOM 373 C2 A A 12 13.202 -2.519 -3.936 1.00 0.00 C ATOM 374 N3 A A 12 13.661 -3.149 -5.006 1.00 0.00 N ATOM 375 C4 A A 12 13.840 -2.278 -6.021 1.00 0.00 C ATOM 0 H5' A A 12 16.854 -3.497 -11.208 1.00 0.00 H new ATOM 0 H5'' A A 12 15.376 -3.716 -12.123 1.00 0.00 H new ATOM 0 H4' A A 12 15.501 -5.249 -10.315 1.00 0.00 H new ATOM 0 H3' A A 12 13.256 -3.194 -10.090 1.00 0.00 H new ATOM 0 H2' A A 12 12.547 -4.443 -8.010 1.00 0.00 H new ATOM 0 HO2' A A 12 13.625 -6.456 -9.249 1.00 0.00 H new ATOM 0 H1' A A 12 15.029 -4.479 -6.896 1.00 0.00 H new ATOM 0 H8 A A 12 14.632 -1.291 -8.987 1.00 0.00 H new ATOM 0 H61 A A 12 12.487 1.232 -3.747 1.00 0.00 H new ATOM 0 H62 A A 12 12.979 1.552 -5.414 1.00 0.00 H new ATOM 0 H2 A A 12 13.029 -3.141 -3.070 1.00 0.00 H new ATOM 387 P G A 13 11.640 -4.937 -11.353 1.00 0.00 P ATOM 388 OP1 G A 13 11.345 -6.069 -12.259 1.00 0.00 O ATOM 389 OP2 G A 13 11.547 -3.548 -11.854 1.00 0.00 O ATOM 390 O5' G A 13 10.690 -5.069 -10.056 1.00 0.00 O ATOM 391 C5' G A 13 10.432 -6.350 -9.464 1.00 0.00 C ATOM 392 C4' G A 13 9.785 -6.221 -8.088 1.00 0.00 C ATOM 393 O4' G A 13 10.606 -5.404 -7.246 1.00 0.00 O ATOM 394 C3' G A 13 8.447 -5.505 -8.063 1.00 0.00 C ATOM 395 O3' G A 13 7.428 -6.481 -8.325 1.00 0.00 O ATOM 396 C2' G A 13 8.341 -5.107 -6.600 1.00 0.00 C ATOM 397 O2' G A 13 7.958 -6.227 -5.793 1.00 0.00 O ATOM 398 C1' G A 13 9.784 -4.693 -6.296 1.00 0.00 C ATOM 399 N9 G A 13 10.004 -3.242 -6.465 1.00 0.00 N ATOM 400 C8 G A 13 10.583 -2.576 -7.514 1.00 0.00 C ATOM 401 N7 G A 13 10.635 -1.283 -7.348 1.00 0.00 N ATOM 402 C5 G A 13 10.049 -1.081 -6.104 1.00 0.00 C ATOM 403 C6 G A 13 9.822 0.125 -5.383 1.00 0.00 C ATOM 404 O6 G A 13 10.104 1.276 -5.706 1.00 0.00 O ATOM 405 N1 G A 13 9.205 -0.116 -4.171 1.00 0.00 N ATOM 406 C2 G A 13 8.848 -1.354 -3.702 1.00 0.00 C ATOM 407 N2 G A 13 8.262 -1.401 -2.516 1.00 0.00 N ATOM 408 N3 G A 13 9.053 -2.490 -4.361 1.00 0.00 N ATOM 409 C4 G A 13 9.657 -2.276 -5.554 1.00 0.00 C ATOM 0 H5' G A 13 11.367 -6.904 -9.375 1.00 0.00 H new ATOM 0 H5'' G A 13 9.780 -6.928 -10.119 1.00 0.00 H new ATOM 0 H4' G A 13 9.660 -7.255 -7.767 1.00 0.00 H new ATOM 0 H3' G A 13 8.353 -4.681 -8.770 1.00 0.00 H new ATOM 0 H2' G A 13 7.598 -4.335 -6.400 1.00 0.00 H new ATOM 0 HO2' G A 13 7.667 -6.963 -6.371 1.00 0.00 H new ATOM 0 H1' G A 13 10.023 -4.927 -5.259 1.00 0.00 H new ATOM 0 H8 G A 13 10.960 -3.075 -8.395 1.00 0.00 H new ATOM 0 H1 G A 13 8.999 0.689 -3.579 1.00 0.00 H new ATOM 0 H21 G A 13 7.977 -2.298 -2.123 1.00 0.00 H new ATOM 0 H22 G A 13 8.095 -0.540 -1.995 1.00 0.00 H new ATOM 421 P C A 14 5.923 -6.026 -8.683 1.00 0.00 P ATOM 422 OP1 C A 14 5.094 -7.244 -8.833 1.00 0.00 O ATOM 423 OP2 C A 14 5.988 -5.038 -9.783 1.00 0.00 O ATOM 424 O5' C A 14 5.453 -5.255 -7.345 1.00 0.00 O ATOM 425 C5' C A 14 4.986 -5.982 -6.202 1.00 0.00 C ATOM 426 C4' C A 14 4.431 -5.048 -5.128 1.00 0.00 C ATOM 427 O4' C A 14 5.470 -4.173 -4.669 1.00 0.00 O ATOM 428 C3' C A 14 3.343 -4.102 -5.609 1.00 0.00 C ATOM 429 O3' C A 14 2.088 -4.776 -5.426 1.00 0.00 O ATOM 430 C2' C A 14 3.429 -2.972 -4.594 1.00 0.00 C ATOM 431 O2' C A 14 2.789 -3.337 -3.365 1.00 0.00 O ATOM 432 C1' C A 14 4.943 -2.861 -4.396 1.00 0.00 C ATOM 433 N1 C A 14 5.579 -1.896 -5.320 1.00 0.00 N ATOM 434 C2 C A 14 5.858 -0.627 -4.836 1.00 0.00 C ATOM 435 O2 C A 14 5.556 -0.321 -3.685 1.00 0.00 O ATOM 436 N3 C A 14 6.469 0.267 -5.657 1.00 0.00 N ATOM 437 C4 C A 14 6.794 -0.071 -6.910 1.00 0.00 C ATOM 438 N4 C A 14 7.398 0.846 -7.658 1.00 0.00 N ATOM 439 C5 C A 14 6.508 -1.375 -7.420 1.00 0.00 C ATOM 440 C6 C A 14 5.904 -2.252 -6.597 1.00 0.00 C ATOM 0 H5' C A 14 5.804 -6.570 -5.786 1.00 0.00 H new ATOM 0 H5'' C A 14 4.212 -6.685 -6.509 1.00 0.00 H new ATOM 0 H4' C A 14 4.028 -5.721 -4.371 1.00 0.00 H new ATOM 0 H3' C A 14 3.438 -3.777 -6.645 1.00 0.00 H new ATOM 0 H2' C A 14 2.944 -2.049 -4.913 1.00 0.00 H new ATOM 0 HO2' C A 14 1.851 -3.053 -3.388 1.00 0.00 H new ATOM 0 H1' C A 14 5.150 -2.506 -3.386 1.00 0.00 H new ATOM 0 H41 C A 14 7.662 0.627 -8.619 1.00 0.00 H new ATOM 0 H42 C A 14 7.598 1.769 -7.272 1.00 0.00 H new ATOM 0 H5 C A 14 6.768 -1.648 -8.432 1.00 0.00 H new ATOM 0 H6 C A 14 5.674 -3.246 -6.950 1.00 0.00 H new ATOM 452 P G A 15 0.687 -4.005 -5.630 1.00 0.00 P ATOM 453 OP1 G A 15 -0.352 -5.006 -5.958 1.00 0.00 O ATOM 454 OP2 G A 15 0.917 -2.855 -6.534 1.00 0.00 O ATOM 455 O5' G A 15 0.391 -3.435 -4.152 1.00 0.00 O ATOM 456 C5' G A 15 -0.544 -2.370 -3.950 1.00 0.00 C ATOM 457 C4' G A 15 -0.112 -1.453 -2.810 1.00 0.00 C ATOM 458 O4' G A 15 1.158 -0.887 -3.113 1.00 0.00 O ATOM 459 C3' G A 15 -0.993 -0.238 -2.605 1.00 0.00 C ATOM 460 O3' G A 15 -2.159 -0.568 -1.846 1.00 0.00 O ATOM 461 C2' G A 15 -0.064 0.677 -1.812 1.00 0.00 C ATOM 462 O2' G A 15 -0.078 0.323 -0.423 1.00 0.00 O ATOM 463 C1' G A 15 1.308 0.366 -2.427 1.00 0.00 C ATOM 464 N9 G A 15 1.704 1.378 -3.420 1.00 0.00 N ATOM 465 C8 G A 15 1.748 1.253 -4.783 1.00 0.00 C ATOM 466 N7 G A 15 2.105 2.344 -5.399 1.00 0.00 N ATOM 467 C5 G A 15 2.312 3.258 -4.369 1.00 0.00 C ATOM 468 C6 G A 15 2.714 4.620 -4.422 1.00 0.00 C ATOM 469 O6 G A 15 2.972 5.305 -5.407 1.00 0.00 O ATOM 470 N1 G A 15 2.803 5.172 -3.159 1.00 0.00 N ATOM 471 C2 G A 15 2.544 4.510 -1.988 1.00 0.00 C ATOM 472 N2 G A 15 2.696 5.195 -0.863 1.00 0.00 N ATOM 473 N3 G A 15 2.165 3.234 -1.919 1.00 0.00 N ATOM 474 C4 G A 15 2.070 2.673 -3.149 1.00 0.00 C ATOM 0 H5' G A 15 -1.528 -2.785 -3.731 1.00 0.00 H new ATOM 0 H5'' G A 15 -0.640 -1.790 -4.868 1.00 0.00 H new ATOM 0 H4' G A 15 -0.142 -2.093 -1.928 1.00 0.00 H new ATOM 0 H3' G A 15 -1.371 0.199 -3.529 1.00 0.00 H new ATOM 0 H2' G A 15 -0.340 1.730 -1.861 1.00 0.00 H new ATOM 0 HO2' G A 15 -0.855 -0.244 -0.238 1.00 0.00 H new ATOM 0 HO3' G A 15 -2.709 0.234 -1.727 1.00 0.00 H new ATOM 0 H1' G A 15 2.067 0.348 -1.645 1.00 0.00 H new ATOM 0 H8 G A 15 1.509 0.335 -5.299 1.00 0.00 H new ATOM 0 H1 G A 15 3.084 6.150 -3.093 1.00 0.00 H new ATOM 0 H21 G A 15 2.515 4.747 0.035 1.00 0.00 H new ATOM 0 H22 G A 15 2.994 6.170 -0.896 1.00 0.00 H new TER 487 G A 15