USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 184 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 Set 1.1: A 8 A O2' : rot -25:sc= 1.13 USER MOD Set 1.2: A 11 U O2' : rot -173:sc= 0.6 USER MOD Single : A 1 U O2' : rot -3:sc= -5.76! USER MOD Single : A 1 U O5' : rot 180:sc= -0.788 USER MOD Single : A 2 G O2' : rot -22:sc= 0.224 USER MOD Single : A 3 A O2' : rot 180:sc= -3.92! USER MOD Single : A 4 G O2' : rot 180:sc= -0.25 USER MOD Single : A 5 C O2' : rot -118:sc= 0.432 USER MOD Single : A 6 A O2' : rot -170:sc= -1.7! USER MOD Single : A 7 C O2' : rot -145:sc= 0.0156 USER MOD Single : A 9 G O2' : rot 1:sc= 0.334 USER MOD Single : A 10 U O2' : rot 68:sc= -6.56! USER MOD Single : A 12 U O2' : rot 180:sc= -2.66! USER MOD Single : A 13 G O2' : rot 180:sc= -1.31 USER MOD Single : A 14 C O2' : rot -141:sc= -0.0747 USER MOD Single : A 15 U O2' : rot -150:sc= 0.0548 USER MOD Single : A 16 C O2' : rot 180:sc= -2.96! USER MOD Single : A 17 A O2' : rot -33:sc= 0.159 USER MOD Single : A 17 A O3' : rot 180:sc= 0.124 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U A 1 13.821 17.336 22.993 1.00 0.53 O ATOM 2 C5' U A 1 13.463 16.377 22.000 1.00 0.47 C ATOM 3 C4' U A 1 12.966 17.051 20.731 1.00 0.36 C ATOM 4 O4' U A 1 11.806 17.825 20.995 1.00 0.36 O ATOM 5 C3' U A 1 14.027 17.980 20.134 1.00 0.31 C ATOM 6 O3' U A 1 14.905 17.266 19.233 1.00 0.32 O ATOM 7 C2' U A 1 13.154 18.986 19.388 1.00 0.33 C ATOM 8 O2' U A 1 12.834 18.489 18.084 1.00 0.41 O ATOM 9 C1' U A 1 11.906 19.050 20.262 1.00 0.32 C ATOM 10 N1 U A 1 11.929 20.211 21.186 1.00 0.34 N ATOM 11 C2 U A 1 11.172 21.321 20.841 1.00 0.38 C ATOM 12 O2 U A 1 10.521 21.378 19.809 1.00 0.43 O ATOM 13 N3 U A 1 11.182 22.371 21.734 1.00 0.44 N ATOM 14 C4 U A 1 11.869 22.421 22.933 1.00 0.49 C ATOM 15 O4 U A 1 11.792 23.409 23.656 1.00 0.58 O ATOM 16 C5 U A 1 12.637 21.225 23.224 1.00 0.49 C ATOM 17 C6 U A 1 12.643 20.175 22.361 1.00 0.42 C ATOM 0 H5' U A 1 12.688 15.718 22.391 1.00 0.47 H new ATOM 0 H5'' U A 1 14.325 15.752 21.768 1.00 0.47 H new ATOM 0 H4' U A 1 12.739 16.255 20.022 1.00 0.36 H new ATOM 0 H3' U A 1 14.696 18.429 20.868 1.00 0.31 H new ATOM 0 H2' U A 1 13.627 19.956 19.236 1.00 0.33 H new ATOM 0 HO2' U A 1 13.283 17.630 17.942 1.00 0.41 H new ATOM 0 HO5' U A 1 14.135 16.872 23.797 1.00 0.53 H new ATOM 0 H1' U A 1 11.034 19.182 19.621 1.00 0.32 H new ATOM 0 H3 U A 1 10.629 23.191 21.486 1.00 0.44 H new ATOM 0 H5 U A 1 13.211 21.168 24.137 1.00 0.49 H new ATOM 0 H6 U A 1 13.220 19.295 22.603 1.00 0.42 H new ATOM 29 P G A 2 16.261 17.956 18.663 1.00 0.32 P ATOM 30 OP1 G A 2 16.928 17.008 17.752 1.00 0.43 O ATOM 31 OP2 G A 2 17.012 18.517 19.806 1.00 0.30 O ATOM 32 O5' G A 2 15.698 19.187 17.793 1.00 0.36 O ATOM 33 C5' G A 2 14.931 18.971 16.603 1.00 0.41 C ATOM 34 C4' G A 2 14.697 20.284 15.862 1.00 0.34 C ATOM 35 O4' G A 2 14.065 21.232 16.711 1.00 0.36 O ATOM 36 C3' G A 2 16.026 20.873 15.398 1.00 0.28 C ATOM 37 O3' G A 2 16.343 20.493 14.057 1.00 0.27 O ATOM 38 C2' G A 2 15.776 22.363 15.513 1.00 0.27 C ATOM 39 O2' G A 2 15.144 22.864 14.323 1.00 0.33 O ATOM 40 C1' G A 2 14.848 22.426 16.714 1.00 0.29 C ATOM 41 N9 G A 2 15.618 22.549 17.964 1.00 0.27 N ATOM 42 C8 G A 2 15.993 21.569 18.846 1.00 0.32 C ATOM 43 N7 G A 2 16.652 21.992 19.883 1.00 0.33 N ATOM 44 C5 G A 2 16.717 23.366 19.690 1.00 0.28 C ATOM 45 C6 G A 2 17.309 24.375 20.498 1.00 0.30 C ATOM 46 O6 G A 2 17.903 24.246 21.562 1.00 0.39 O ATOM 47 N1 G A 2 17.148 25.633 19.933 1.00 0.31 N ATOM 48 C2 G A 2 16.504 25.887 18.738 1.00 0.30 C ATOM 49 N2 G A 2 16.479 27.152 18.337 1.00 0.38 N ATOM 50 N3 G A 2 15.947 24.947 17.977 1.00 0.27 N ATOM 51 C4 G A 2 16.082 23.715 18.508 1.00 0.25 C ATOM 0 H5' G A 2 13.974 18.518 16.860 1.00 0.41 H new ATOM 0 H5'' G A 2 15.452 18.269 15.952 1.00 0.41 H new ATOM 0 H4' G A 2 14.059 20.072 15.004 1.00 0.34 H new ATOM 0 H3' G A 2 16.878 20.526 15.982 1.00 0.28 H new ATOM 0 H2' G A 2 16.676 22.966 15.628 1.00 0.27 H new ATOM 0 HO2' G A 2 15.323 22.255 13.576 1.00 0.33 H new ATOM 0 H1' G A 2 14.202 23.302 16.653 1.00 0.29 H new ATOM 0 H8 G A 2 15.759 20.526 18.691 1.00 0.32 H new ATOM 0 H1 G A 2 17.535 26.430 20.439 1.00 0.31 H new ATOM 0 H21 G A 2 16.018 27.401 17.462 1.00 0.38 H new ATOM 0 H22 G A 2 16.921 27.875 18.904 1.00 0.38 H new ATOM 63 P A A 3 17.879 20.460 13.573 1.00 0.27 P ATOM 64 OP1 A A 3 17.913 20.072 12.145 1.00 0.29 O ATOM 65 OP2 A A 3 18.665 19.683 14.554 1.00 0.40 O ATOM 66 O5' A A 3 18.324 22.007 13.704 1.00 0.23 O ATOM 67 C5' A A 3 18.129 22.904 12.626 1.00 0.24 C ATOM 68 C4' A A 3 18.717 24.289 12.887 1.00 0.22 C ATOM 69 O4' A A 3 18.026 24.971 13.940 1.00 0.26 O ATOM 70 C3' A A 3 20.181 24.233 13.258 1.00 0.20 C ATOM 71 O3' A A 3 21.045 24.041 12.116 1.00 0.21 O ATOM 72 C2' A A 3 20.306 25.651 13.838 1.00 0.26 C ATOM 73 O2' A A 3 20.410 26.624 12.778 1.00 0.32 O ATOM 74 C1' A A 3 19.015 25.772 14.632 1.00 0.26 C ATOM 75 N9 A A 3 19.212 25.313 16.022 1.00 0.26 N ATOM 76 C8 A A 3 19.004 24.081 16.542 1.00 0.30 C ATOM 77 N7 A A 3 19.293 23.974 17.809 1.00 0.36 N ATOM 78 C5 A A 3 19.730 25.252 18.136 1.00 0.34 C ATOM 79 C6 A A 3 20.212 25.802 19.316 1.00 0.41 C ATOM 80 N6 A A 3 20.334 25.123 20.448 1.00 0.49 N ATOM 81 N1 A A 3 20.571 27.083 19.290 1.00 0.43 N ATOM 82 C2 A A 3 20.472 27.798 18.164 1.00 0.40 C ATOM 83 N3 A A 3 20.025 27.359 16.982 1.00 0.35 N ATOM 84 C4 A A 3 19.688 26.075 17.058 1.00 0.30 C ATOM 0 H5' A A 3 17.061 23.000 12.429 1.00 0.24 H new ATOM 0 H5'' A A 3 18.582 22.487 11.727 1.00 0.24 H new ATOM 0 H4' A A 3 18.600 24.831 11.949 1.00 0.22 H new ATOM 0 H3' A A 3 20.469 23.411 13.913 1.00 0.20 H new ATOM 0 H2' A A 3 21.193 25.825 14.447 1.00 0.26 H new ATOM 0 HO2' A A 3 20.488 27.521 13.164 1.00 0.32 H new ATOM 0 H1' A A 3 18.685 26.809 14.697 1.00 0.26 H new ATOM 0 H8 A A 3 18.630 23.255 15.956 1.00 0.30 H new ATOM 0 H61 A A 3 20.695 25.584 21.283 1.00 0.49 H new ATOM 0 H62 A A 3 20.066 24.139 20.484 1.00 0.49 H new ATOM 0 H2 A A 3 20.783 28.831 18.214 1.00 0.40 H new ATOM 96 P G A 4 22.615 23.758 12.344 1.00 0.22 P ATOM 97 OP1 G A 4 23.286 23.575 11.039 1.00 0.32 O ATOM 98 OP2 G A 4 22.740 22.704 13.379 1.00 0.31 O ATOM 99 O5' G A 4 23.125 25.154 12.971 1.00 0.23 O ATOM 100 C5' G A 4 23.021 26.340 12.185 1.00 0.20 C ATOM 101 C4' G A 4 23.314 27.598 13.010 1.00 0.19 C ATOM 102 O4' G A 4 22.510 27.641 14.187 1.00 0.26 O ATOM 103 C3' G A 4 24.760 27.629 13.478 1.00 0.19 C ATOM 104 O3' G A 4 25.650 28.095 12.451 1.00 0.20 O ATOM 105 C2' G A 4 24.655 28.598 14.648 1.00 0.21 C ATOM 106 O2' G A 4 24.667 29.958 14.194 1.00 0.31 O ATOM 107 C1' G A 4 23.297 28.208 15.237 1.00 0.22 C ATOM 108 N9 G A 4 23.478 27.258 16.347 1.00 0.20 N ATOM 109 C8 G A 4 23.203 25.914 16.389 1.00 0.24 C ATOM 110 N7 G A 4 23.485 25.332 17.522 1.00 0.28 N ATOM 111 C5 G A 4 23.973 26.383 18.304 1.00 0.24 C ATOM 112 C6 G A 4 24.444 26.382 19.648 1.00 0.28 C ATOM 113 O6 G A 4 24.546 25.433 20.420 1.00 0.35 O ATOM 114 N1 G A 4 24.839 27.656 20.045 1.00 0.30 N ATOM 115 C2 G A 4 24.801 28.784 19.259 1.00 0.31 C ATOM 116 N2 G A 4 25.216 29.917 19.811 1.00 0.40 N ATOM 117 N3 G A 4 24.365 28.792 18.000 1.00 0.27 N ATOM 118 C4 G A 4 23.959 27.566 17.595 1.00 0.21 C ATOM 0 H5' G A 4 22.019 26.408 11.761 1.00 0.20 H new ATOM 0 H5'' G A 4 23.717 26.284 11.348 1.00 0.20 H new ATOM 0 H4' G A 4 23.099 28.444 12.357 1.00 0.19 H new ATOM 0 H3' G A 4 25.175 26.656 13.741 1.00 0.19 H new ATOM 0 H2' G A 4 25.478 28.540 15.360 1.00 0.21 H new ATOM 0 HO2' G A 4 24.597 30.560 14.964 1.00 0.31 H new ATOM 0 H1' G A 4 22.787 29.082 15.643 1.00 0.22 H new ATOM 0 H8 G A 4 22.785 25.379 15.549 1.00 0.24 H new ATOM 0 H1 G A 4 25.186 27.762 20.998 1.00 0.30 H new ATOM 0 H21 G A 4 25.207 30.781 19.269 1.00 0.40 H new ATOM 0 H22 G A 4 25.544 29.924 20.777 1.00 0.40 H new ATOM 130 P C A 5 27.238 27.975 12.644 1.00 0.24 P ATOM 131 OP1 C A 5 27.899 28.299 11.360 1.00 0.35 O ATOM 132 OP2 C A 5 27.538 26.673 13.299 1.00 0.31 O ATOM 133 O5' C A 5 27.525 29.159 13.706 1.00 0.26 O ATOM 134 C5' C A 5 27.599 30.525 13.291 1.00 0.27 C ATOM 135 C4' C A 5 28.298 31.374 14.343 1.00 0.23 C ATOM 136 O4' C A 5 27.546 31.393 15.555 1.00 0.26 O ATOM 137 C3' C A 5 29.679 30.803 14.650 1.00 0.23 C ATOM 138 O3' C A 5 30.680 31.385 13.810 1.00 0.23 O ATOM 139 C2' C A 5 29.856 31.183 16.113 1.00 0.27 C ATOM 140 O2' C A 5 30.356 32.527 16.254 1.00 0.31 O ATOM 141 C1' C A 5 28.425 31.066 16.633 1.00 0.27 C ATOM 142 N1 C A 5 28.143 29.710 17.163 1.00 0.30 N ATOM 143 C2 C A 5 28.583 29.415 18.449 1.00 0.43 C ATOM 144 O2 C A 5 29.192 30.265 19.094 1.00 0.56 O ATOM 145 N3 C A 5 28.328 28.181 18.952 1.00 0.47 N ATOM 146 C4 C A 5 27.677 27.269 18.228 1.00 0.39 C ATOM 147 N4 C A 5 27.419 26.071 18.760 1.00 0.45 N ATOM 148 C5 C A 5 27.223 27.556 16.905 1.00 0.31 C ATOM 149 C6 C A 5 27.480 28.781 16.415 1.00 0.28 C ATOM 0 H5' C A 5 26.595 30.911 13.115 1.00 0.27 H new ATOM 0 H5'' C A 5 28.137 30.594 12.346 1.00 0.27 H new ATOM 0 H4' C A 5 28.387 32.386 13.947 1.00 0.23 H new ATOM 0 H3' C A 5 29.772 29.732 14.470 1.00 0.23 H new ATOM 0 H2' C A 5 30.577 30.564 16.647 1.00 0.27 H new ATOM 0 HO2' C A 5 31.232 32.506 16.693 1.00 0.31 H new ATOM 0 H1' C A 5 28.276 31.753 17.466 1.00 0.27 H new ATOM 0 H41 C A 5 26.922 25.367 18.214 1.00 0.45 H new ATOM 0 H42 C A 5 27.719 25.860 19.712 1.00 0.45 H new ATOM 0 H5 C A 5 26.694 26.818 16.321 1.00 0.31 H new ATOM 0 H6 C A 5 27.157 29.033 15.416 1.00 0.28 H new ATOM 161 P A A 6 31.961 30.528 13.321 1.00 0.24 P ATOM 162 OP1 A A 6 32.654 31.309 12.273 1.00 0.32 O ATOM 163 OP2 A A 6 31.550 29.133 13.032 1.00 0.31 O ATOM 164 O5' A A 6 32.884 30.519 14.640 1.00 0.24 O ATOM 165 C5' A A 6 33.438 31.734 15.141 1.00 0.26 C ATOM 166 C4' A A 6 33.805 31.632 16.615 1.00 0.23 C ATOM 167 O4' A A 6 32.677 31.256 17.398 1.00 0.27 O ATOM 168 C3' A A 6 34.890 30.591 16.849 1.00 0.20 C ATOM 169 O3' A A 6 36.213 31.115 16.606 1.00 0.23 O ATOM 170 C2' A A 6 34.652 30.265 18.323 1.00 0.23 C ATOM 171 O2' A A 6 35.305 31.203 19.191 1.00 0.29 O ATOM 172 C1' A A 6 33.129 30.381 18.434 1.00 0.24 C ATOM 173 N9 A A 6 32.495 29.049 18.317 1.00 0.25 N ATOM 174 C8 A A 6 31.926 28.456 17.228 1.00 0.27 C ATOM 175 N7 A A 6 31.501 27.239 17.428 1.00 0.29 N ATOM 176 C5 A A 6 31.819 27.010 18.769 1.00 0.27 C ATOM 177 C6 A A 6 31.635 25.907 19.627 1.00 0.30 C ATOM 178 N6 A A 6 31.089 24.758 19.238 1.00 0.37 N ATOM 179 N1 A A 6 32.060 26.028 20.888 1.00 0.31 N ATOM 180 C2 A A 6 32.626 27.161 21.299 1.00 0.29 C ATOM 181 N3 A A 6 32.855 28.251 20.583 1.00 0.27 N ATOM 182 C4 A A 6 32.422 28.107 19.320 1.00 0.25 C ATOM 0 H5' A A 6 32.721 32.543 15.002 1.00 0.26 H new ATOM 0 H5'' A A 6 34.326 31.992 14.564 1.00 0.26 H new ATOM 0 H4' A A 6 34.163 32.618 16.911 1.00 0.23 H new ATOM 0 H3' A A 6 34.841 29.728 16.184 1.00 0.20 H new ATOM 0 H2' A A 6 35.048 29.293 18.619 1.00 0.23 H new ATOM 0 HO2' A A 6 35.265 30.877 20.114 1.00 0.29 H new ATOM 0 H1' A A 6 32.851 30.785 19.408 1.00 0.24 H new ATOM 0 H8 A A 6 31.835 28.955 16.275 1.00 0.27 H new ATOM 0 H61 A A 6 30.981 23.993 19.904 1.00 0.37 H new ATOM 0 H62 A A 6 30.778 24.642 18.273 1.00 0.37 H new ATOM 0 H2 A A 6 32.933 27.195 22.334 1.00 0.29 H new ATOM 194 P C A 7 37.442 30.112 16.262 1.00 0.24 P ATOM 195 OP1 C A 7 38.667 30.916 16.061 1.00 0.35 O ATOM 196 OP2 C A 7 37.010 29.166 15.209 1.00 0.33 O ATOM 197 O5' C A 7 37.598 29.294 17.641 1.00 0.23 O ATOM 198 C5' C A 7 37.937 29.975 18.849 1.00 0.24 C ATOM 199 C4' C A 7 37.611 29.130 20.070 1.00 0.23 C ATOM 200 O4' C A 7 36.237 28.761 20.068 1.00 0.25 O ATOM 201 C3' C A 7 38.444 27.860 20.070 1.00 0.22 C ATOM 202 O3' C A 7 39.680 28.041 20.784 1.00 0.23 O ATOM 203 C2' C A 7 37.514 26.872 20.771 1.00 0.23 C ATOM 204 O2' C A 7 37.680 26.917 22.189 1.00 0.26 O ATOM 205 C1' C A 7 36.135 27.371 20.369 1.00 0.25 C ATOM 206 N1 C A 7 35.596 26.603 19.220 1.00 0.28 N ATOM 207 C2 C A 7 34.938 25.414 19.500 1.00 0.37 C ATOM 208 O2 C A 7 34.857 25.018 20.660 1.00 0.43 O ATOM 209 N3 C A 7 34.405 24.715 18.472 1.00 0.44 N ATOM 210 C4 C A 7 34.511 25.155 17.216 1.00 0.40 C ATOM 211 N4 C A 7 33.958 24.445 16.227 1.00 0.49 N ATOM 212 C5 C A 7 35.196 26.380 16.916 1.00 0.33 C ATOM 213 C6 C A 7 35.720 27.064 17.938 1.00 0.28 C ATOM 0 H5' C A 7 37.394 30.919 18.902 1.00 0.24 H new ATOM 0 H5'' C A 7 38.999 30.218 18.846 1.00 0.24 H new ATOM 0 H4' C A 7 37.834 29.724 20.956 1.00 0.23 H new ATOM 0 H3' C A 7 38.754 27.533 19.078 1.00 0.22 H new ATOM 0 H2' C A 7 37.701 25.835 20.493 1.00 0.23 H new ATOM 0 HO2' C A 7 37.560 26.018 22.561 1.00 0.26 H new ATOM 0 H1' C A 7 35.434 27.224 21.191 1.00 0.25 H new ATOM 0 H41 C A 7 34.032 24.770 15.263 1.00 0.49 H new ATOM 0 H42 C A 7 33.463 23.578 16.437 1.00 0.49 H new ATOM 0 H5 C A 7 35.285 26.737 15.900 1.00 0.33 H new ATOM 0 H6 C A 7 36.246 27.988 17.750 1.00 0.28 H new ATOM 225 P A A 8 40.964 27.119 20.435 1.00 0.24 P ATOM 226 OP1 A A 8 42.186 27.840 20.839 1.00 0.30 O ATOM 227 OP2 A A 8 40.845 26.652 19.033 1.00 0.28 O ATOM 228 O5' A A 8 40.774 25.846 21.414 1.00 0.26 O ATOM 229 C5' A A 8 40.469 26.038 22.795 1.00 0.26 C ATOM 230 C4' A A 8 39.527 24.971 23.330 1.00 0.24 C ATOM 231 O4' A A 8 38.459 24.739 22.411 1.00 0.26 O ATOM 232 C3' A A 8 40.256 23.649 23.542 1.00 0.24 C ATOM 233 O3' A A 8 40.768 23.540 24.870 1.00 0.28 O ATOM 234 C2' A A 8 39.138 22.646 23.299 1.00 0.26 C ATOM 235 O2' A A 8 38.342 22.461 24.480 1.00 0.32 O ATOM 236 C1' A A 8 38.356 23.339 22.196 1.00 0.24 C ATOM 237 N9 A A 8 38.887 22.971 20.863 1.00 0.24 N ATOM 238 C8 A A 8 39.457 23.770 19.914 1.00 0.27 C ATOM 239 N7 A A 8 39.838 23.151 18.839 1.00 0.28 N ATOM 240 C5 A A 8 39.503 21.824 19.102 1.00 0.25 C ATOM 241 C6 A A 8 39.639 20.646 18.360 1.00 0.28 C ATOM 242 N6 A A 8 40.183 20.611 17.148 1.00 0.32 N ATOM 243 N1 A A 8 39.192 19.507 18.911 1.00 0.28 N ATOM 244 C2 A A 8 38.641 19.524 20.122 1.00 0.26 C ATOM 245 N3 A A 8 38.460 20.578 20.909 1.00 0.24 N ATOM 246 C4 A A 8 38.920 21.702 20.331 1.00 0.23 C ATOM 0 H5' A A 8 40.017 27.021 22.932 1.00 0.26 H new ATOM 0 H5'' A A 8 41.393 26.028 23.374 1.00 0.26 H new ATOM 0 H4' A A 8 39.139 25.335 24.281 1.00 0.24 H new ATOM 0 H3' A A 8 41.126 23.515 22.899 1.00 0.24 H new ATOM 0 H2' A A 8 39.478 21.643 23.039 1.00 0.26 H new ATOM 0 HO2' A A 8 38.875 22.683 25.272 1.00 0.32 H new ATOM 0 H1' A A 8 37.311 23.028 22.221 1.00 0.24 H new ATOM 0 H8 A A 8 39.581 24.834 20.048 1.00 0.27 H new ATOM 0 H61 A A 8 40.259 19.725 16.648 1.00 0.32 H new ATOM 0 H62 A A 8 40.525 21.470 16.717 1.00 0.32 H new ATOM 0 H2 A A 8 38.303 18.574 20.508 1.00 0.26 H new ATOM 258 P G A 9 41.691 22.285 25.294 1.00 0.26 P ATOM 259 OP1 G A 9 41.181 21.746 26.570 1.00 0.38 O ATOM 260 OP2 G A 9 43.104 22.710 25.219 1.00 0.37 O ATOM 261 O5' G A 9 41.423 21.205 24.129 1.00 0.25 O ATOM 262 C5' G A 9 40.703 19.998 24.377 1.00 0.21 C ATOM 263 C4' G A 9 41.046 18.923 23.358 1.00 0.18 C ATOM 264 O4' G A 9 40.786 19.387 22.048 1.00 0.24 O ATOM 265 C3' G A 9 42.516 18.534 23.452 1.00 0.21 C ATOM 266 O3' G A 9 42.702 17.392 24.301 1.00 0.23 O ATOM 267 C2' G A 9 42.895 18.212 22.007 1.00 0.27 C ATOM 268 O2' G A 9 43.027 16.803 21.798 1.00 0.41 O ATOM 269 C1' G A 9 41.741 18.799 21.180 1.00 0.24 C ATOM 270 N9 G A 9 42.237 19.802 20.222 1.00 0.25 N ATOM 271 C8 G A 9 42.546 21.118 20.425 1.00 0.32 C ATOM 272 N7 G A 9 42.993 21.745 19.384 1.00 0.37 N ATOM 273 C5 G A 9 42.967 20.769 18.388 1.00 0.32 C ATOM 274 C6 G A 9 43.341 20.861 17.025 1.00 0.35 C ATOM 275 O6 G A 9 43.777 21.831 16.411 1.00 0.45 O ATOM 276 N1 G A 9 43.151 19.657 16.368 1.00 0.32 N ATOM 277 C2 G A 9 42.685 18.503 16.944 1.00 0.30 C ATOM 278 N2 G A 9 42.574 17.445 16.147 1.00 0.36 N ATOM 279 N3 G A 9 42.339 18.399 18.235 1.00 0.27 N ATOM 280 C4 G A 9 42.516 19.574 18.895 1.00 0.25 C ATOM 0 H5' G A 9 39.632 20.200 24.348 1.00 0.21 H new ATOM 0 H5'' G A 9 40.932 19.636 25.379 1.00 0.21 H new ATOM 0 H4' G A 9 40.426 18.053 23.575 1.00 0.18 H new ATOM 0 H3' G A 9 43.131 19.321 23.888 1.00 0.21 H new ATOM 0 H2' G A 9 43.862 18.630 21.728 1.00 0.27 H new ATOM 0 HO2' G A 9 42.826 16.328 22.632 1.00 0.41 H new ATOM 0 H1' G A 9 41.273 17.993 20.615 1.00 0.24 H new ATOM 0 H8 G A 9 42.426 21.600 21.384 1.00 0.32 H new ATOM 0 H1 G A 9 43.376 19.626 15.374 1.00 0.32 H new ATOM 0 H21 G A 9 42.233 16.559 16.520 1.00 0.36 H new ATOM 0 H22 G A 9 42.830 17.519 15.162 1.00 0.36 H new ATOM 292 P U A 10 42.875 17.562 25.897 1.00 0.24 P ATOM 293 OP1 U A 10 43.718 18.759 26.146 1.00 0.34 O ATOM 294 OP2 U A 10 43.294 16.264 26.460 1.00 0.36 O ATOM 295 O5' U A 10 41.366 17.884 26.411 1.00 0.21 O ATOM 296 C5' U A 10 40.382 16.840 26.531 1.00 0.21 C ATOM 297 C4' U A 10 39.695 16.563 25.199 1.00 0.21 C ATOM 298 O4' U A 10 40.629 16.069 24.258 1.00 0.25 O ATOM 299 C3' U A 10 38.585 15.524 25.313 1.00 0.20 C ATOM 300 O3' U A 10 37.344 16.106 25.747 1.00 0.21 O ATOM 301 C2' U A 10 38.516 15.008 23.870 1.00 0.24 C ATOM 302 O2' U A 10 37.636 15.784 23.048 1.00 0.30 O ATOM 303 C1' U A 10 39.956 15.146 23.412 1.00 0.24 C ATOM 304 N1 U A 10 40.589 13.817 23.405 1.00 0.26 N ATOM 305 C2 U A 10 41.199 13.348 24.566 1.00 0.29 C ATOM 306 O2 U A 10 41.246 14.002 25.604 1.00 0.35 O ATOM 307 N3 U A 10 41.737 12.081 24.494 1.00 0.32 N ATOM 308 C4 U A 10 41.726 11.249 23.385 1.00 0.33 C ATOM 309 O4 U A 10 42.226 10.123 23.436 1.00 0.39 O ATOM 310 C5 U A 10 41.075 11.825 22.230 1.00 0.32 C ATOM 311 C6 U A 10 40.535 13.060 22.280 1.00 0.29 C ATOM 0 H5' U A 10 39.637 17.125 27.273 1.00 0.21 H new ATOM 0 H5'' U A 10 40.859 15.929 26.892 1.00 0.21 H new ATOM 0 H4' U A 10 39.266 17.513 24.881 1.00 0.21 H new ATOM 0 H3' U A 10 38.772 14.746 26.053 1.00 0.20 H new ATOM 0 H2' U A 10 38.119 13.995 23.802 1.00 0.24 H new ATOM 0 HO2' U A 10 38.016 16.678 22.915 1.00 0.30 H new ATOM 0 H1' U A 10 40.008 15.538 22.396 1.00 0.24 H new ATOM 0 H3 U A 10 42.186 11.721 25.336 1.00 0.32 H new ATOM 0 H5 U A 10 41.020 11.258 21.313 1.00 0.32 H new ATOM 0 H6 U A 10 40.047 13.457 21.402 1.00 0.29 H new ATOM 322 P U A 11 35.999 15.212 25.855 1.00 0.22 P ATOM 323 OP1 U A 11 35.549 15.226 27.270 1.00 0.29 O ATOM 324 OP2 U A 11 36.231 13.916 25.182 1.00 0.28 O ATOM 325 O5' U A 11 34.944 16.055 24.969 1.00 0.27 O ATOM 326 C5' U A 11 35.378 16.712 23.781 1.00 0.28 C ATOM 327 C4' U A 11 36.171 17.966 24.107 1.00 0.27 C ATOM 328 O4' U A 11 36.881 18.437 22.972 1.00 0.32 O ATOM 329 C3' U A 11 35.247 19.068 24.582 1.00 0.26 C ATOM 330 O3' U A 11 35.049 19.017 25.988 1.00 0.31 O ATOM 331 C2' U A 11 36.011 20.305 24.165 1.00 0.31 C ATOM 332 O2' U A 11 36.980 20.689 25.159 1.00 0.38 O ATOM 333 C1' U A 11 36.672 19.838 22.871 1.00 0.31 C ATOM 334 N1 U A 11 35.824 20.145 21.692 1.00 0.30 N ATOM 335 C2 U A 11 35.560 21.476 21.413 1.00 0.30 C ATOM 336 O2 U A 11 35.932 22.386 22.140 1.00 0.31 O ATOM 337 N3 U A 11 34.821 21.722 20.280 1.00 0.34 N ATOM 338 C4 U A 11 34.316 20.772 19.407 1.00 0.36 C ATOM 339 O4 U A 11 33.675 21.123 18.418 1.00 0.43 O ATOM 340 C5 U A 11 34.633 19.406 19.773 1.00 0.35 C ATOM 341 C6 U A 11 35.362 19.140 20.881 1.00 0.33 C ATOM 0 H5' U A 11 34.514 16.973 23.170 1.00 0.28 H new ATOM 0 H5'' U A 11 35.993 16.033 23.190 1.00 0.28 H new ATOM 0 H4' U A 11 36.879 17.704 24.893 1.00 0.27 H new ATOM 0 H3' U A 11 34.240 19.012 24.169 1.00 0.26 H new ATOM 0 H2' U A 11 35.389 21.192 24.043 1.00 0.31 H new ATOM 0 HO2' U A 11 37.376 21.551 24.914 1.00 0.38 H new ATOM 0 H1' U A 11 37.618 20.361 22.733 1.00 0.31 H new ATOM 0 H3 U A 11 34.626 22.699 20.061 1.00 0.34 H new ATOM 0 H5 U A 11 34.284 18.592 19.155 1.00 0.35 H new ATOM 0 H6 U A 11 35.585 18.114 21.133 1.00 0.33 H new ATOM 352 P U A 12 33.634 19.454 26.612 1.00 0.28 P ATOM 353 OP1 U A 12 33.443 18.732 27.889 1.00 0.39 O ATOM 354 OP2 U A 12 32.603 19.350 25.568 1.00 0.40 O ATOM 355 O5' U A 12 33.868 21.016 26.916 1.00 0.33 O ATOM 356 C5' U A 12 34.809 21.455 27.887 1.00 0.30 C ATOM 357 C4' U A 12 35.019 22.958 27.797 1.00 0.28 C ATOM 358 O4' U A 12 35.730 23.310 26.611 1.00 0.32 O ATOM 359 C3' U A 12 33.671 23.659 27.756 1.00 0.27 C ATOM 360 O3' U A 12 33.194 23.926 29.071 1.00 0.30 O ATOM 361 C2' U A 12 33.992 24.918 26.966 1.00 0.30 C ATOM 362 O2' U A 12 34.520 25.946 27.800 1.00 0.36 O ATOM 363 C1' U A 12 35.034 24.393 25.990 1.00 0.31 C ATOM 364 N1 U A 12 34.371 23.948 24.750 1.00 0.32 N ATOM 365 C2 U A 12 34.221 24.877 23.737 1.00 0.39 C ATOM 366 O2 U A 12 34.645 26.022 23.824 1.00 0.47 O ATOM 367 N3 U A 12 33.563 24.438 22.607 1.00 0.44 N ATOM 368 C4 U A 12 33.044 23.175 22.393 1.00 0.43 C ATOM 369 O4 U A 12 32.487 22.900 21.338 1.00 0.53 O ATOM 370 C5 U A 12 33.244 22.264 23.505 1.00 0.37 C ATOM 371 C6 U A 12 33.889 22.673 24.622 1.00 0.31 C ATOM 0 H5' U A 12 35.759 20.941 27.737 1.00 0.30 H new ATOM 0 H5'' U A 12 34.458 21.192 28.885 1.00 0.30 H new ATOM 0 H4' U A 12 35.595 23.265 28.670 1.00 0.28 H new ATOM 0 H3' U A 12 32.869 23.076 27.303 1.00 0.27 H new ATOM 0 H2' U A 12 33.127 25.381 26.491 1.00 0.30 H new ATOM 0 HO2' U A 12 34.715 26.739 27.258 1.00 0.36 H new ATOM 0 H1' U A 12 35.745 25.178 25.732 1.00 0.31 H new ATOM 0 H3 U A 12 33.448 25.114 21.852 1.00 0.44 H new ATOM 0 H5 U A 12 32.875 21.251 23.440 1.00 0.37 H new ATOM 0 H6 U A 12 34.027 21.975 25.434 1.00 0.31 H new ATOM 382 P G A 13 31.616 24.129 29.307 1.00 0.26 P ATOM 383 OP1 G A 13 31.354 24.150 30.759 1.00 0.35 O ATOM 384 OP2 G A 13 30.891 23.166 28.456 1.00 0.32 O ATOM 385 O5' G A 13 31.377 25.601 28.702 1.00 0.25 O ATOM 386 C5' G A 13 32.136 26.707 29.178 1.00 0.24 C ATOM 387 C4' G A 13 31.964 27.925 28.284 1.00 0.24 C ATOM 388 O4' G A 13 32.565 27.728 27.006 1.00 0.28 O ATOM 389 C3' G A 13 30.492 28.208 28.040 1.00 0.22 C ATOM 390 O3' G A 13 29.899 28.928 29.116 1.00 0.22 O ATOM 391 C2' G A 13 30.560 29.014 26.757 1.00 0.28 C ATOM 392 O2' G A 13 30.895 30.388 27.009 1.00 0.35 O ATOM 393 C1' G A 13 31.676 28.280 26.025 1.00 0.28 C ATOM 394 N9 G A 13 31.102 27.220 25.175 1.00 0.27 N ATOM 395 C8 G A 13 30.899 25.895 25.458 1.00 0.31 C ATOM 396 N7 G A 13 30.311 25.223 24.509 1.00 0.33 N ATOM 397 C5 G A 13 30.096 26.182 23.522 1.00 0.30 C ATOM 398 C6 G A 13 29.482 26.058 22.245 1.00 0.34 C ATOM 399 O6 G A 13 28.991 25.058 21.729 1.00 0.39 O ATOM 400 N1 G A 13 29.471 27.269 21.573 1.00 0.36 N ATOM 401 C2 G A 13 29.996 28.446 22.054 1.00 0.37 C ATOM 402 N2 G A 13 29.901 29.498 21.264 1.00 0.44 N ATOM 403 N3 G A 13 30.564 28.574 23.244 1.00 0.33 N ATOM 404 C4 G A 13 30.578 27.407 23.925 1.00 0.28 C ATOM 0 H5' G A 13 33.190 26.434 29.224 1.00 0.24 H new ATOM 0 H5'' G A 13 31.826 26.953 30.194 1.00 0.24 H new ATOM 0 H4' G A 13 32.444 28.756 28.802 1.00 0.24 H new ATOM 0 H3' G A 13 29.867 27.318 27.966 1.00 0.22 H new ATOM 0 H2' G A 13 29.621 29.072 26.206 1.00 0.28 H new ATOM 0 HO2' G A 13 30.931 30.877 26.160 1.00 0.35 H new ATOM 0 H1' G A 13 32.228 28.963 25.379 1.00 0.28 H new ATOM 0 H8 G A 13 31.202 25.444 26.392 1.00 0.31 H new ATOM 0 H1 G A 13 29.040 27.290 20.649 1.00 0.36 H new ATOM 0 H21 G A 13 30.272 30.398 21.567 1.00 0.44 H new ATOM 0 H22 G A 13 29.456 29.411 20.350 1.00 0.44 H new ATOM 416 P C A 14 28.298 28.932 29.256 1.00 0.22 P ATOM 417 OP1 C A 14 27.936 29.794 30.397 1.00 0.29 O ATOM 418 OP2 C A 14 27.806 27.535 29.218 1.00 0.28 O ATOM 419 O5' C A 14 27.853 29.671 27.895 1.00 0.24 O ATOM 420 C5' C A 14 27.979 31.091 27.773 1.00 0.26 C ATOM 421 C4' C A 14 27.100 31.641 26.666 1.00 0.25 C ATOM 422 O4' C A 14 27.611 31.297 25.382 1.00 0.29 O ATOM 423 C3' C A 14 25.700 31.064 26.784 1.00 0.23 C ATOM 424 O3' C A 14 24.871 31.838 27.649 1.00 0.27 O ATOM 425 C2' C A 14 25.215 31.124 25.342 1.00 0.25 C ATOM 426 O2' C A 14 24.583 32.371 25.052 1.00 0.31 O ATOM 427 C1' C A 14 26.509 30.952 24.542 1.00 0.26 C ATOM 428 N1 C A 14 26.606 29.559 24.070 1.00 0.25 N ATOM 429 C2 C A 14 25.961 29.247 22.881 1.00 0.29 C ATOM 430 O2 C A 14 25.405 30.131 22.237 1.00 0.32 O ATOM 431 N3 C A 14 25.951 27.951 22.474 1.00 0.32 N ATOM 432 C4 C A 14 26.561 27.006 23.191 1.00 0.33 C ATOM 433 N4 C A 14 26.510 25.741 22.776 1.00 0.41 N ATOM 434 C5 C A 14 27.247 27.320 24.407 1.00 0.30 C ATOM 435 C6 C A 14 27.252 28.606 24.805 1.00 0.26 C ATOM 0 H5' C A 14 29.019 31.348 27.573 1.00 0.26 H new ATOM 0 H5'' C A 14 27.711 31.562 28.718 1.00 0.26 H new ATOM 0 H4' C A 14 27.082 32.726 26.770 1.00 0.25 H new ATOM 0 H3' C A 14 25.677 30.065 27.219 1.00 0.23 H new ATOM 0 H2' C A 14 24.462 30.371 25.111 1.00 0.25 H new ATOM 0 HO2' C A 14 23.809 32.218 24.471 1.00 0.31 H new ATOM 0 H1' C A 14 26.517 31.605 23.669 1.00 0.26 H new ATOM 0 H41 C A 14 26.972 25.008 23.315 1.00 0.41 H new ATOM 0 H42 C A 14 26.009 25.505 21.920 1.00 0.41 H new ATOM 0 H5 C A 14 27.743 26.553 24.984 1.00 0.30 H new ATOM 0 H6 C A 14 27.770 28.886 25.711 1.00 0.26 H new ATOM 447 P U A 15 23.361 31.372 27.969 1.00 0.26 P ATOM 448 OP1 U A 15 22.863 32.191 29.100 1.00 0.34 O ATOM 449 OP2 U A 15 23.327 29.899 28.093 1.00 0.31 O ATOM 450 O5' U A 15 22.583 31.792 26.626 1.00 0.25 O ATOM 451 C5' U A 15 22.214 33.151 26.375 1.00 0.23 C ATOM 452 C4' U A 15 21.451 33.291 25.074 1.00 0.22 C ATOM 453 O4' U A 15 22.178 32.722 23.996 1.00 0.25 O ATOM 454 C3' U A 15 20.118 32.572 25.144 1.00 0.25 C ATOM 455 O3' U A 15 19.096 33.393 25.725 1.00 0.28 O ATOM 456 C2' U A 15 19.841 32.286 23.667 1.00 0.31 C ATOM 457 O2' U A 15 19.188 33.392 23.019 1.00 0.41 O ATOM 458 C1' U A 15 21.253 32.082 23.116 1.00 0.27 C ATOM 459 N1 U A 15 21.567 30.638 22.983 1.00 0.28 N ATOM 460 C2 U A 15 20.999 29.960 21.918 1.00 0.34 C ATOM 461 O2 U A 15 20.254 30.505 21.124 1.00 0.42 O ATOM 462 N3 U A 15 21.312 28.622 21.801 1.00 0.37 N ATOM 463 C4 U A 15 22.132 27.899 22.651 1.00 0.38 C ATOM 464 O4 U A 15 22.355 26.718 22.426 1.00 0.45 O ATOM 465 C5 U A 15 22.694 28.683 23.745 1.00 0.34 C ATOM 466 C6 U A 15 22.394 30.000 23.874 1.00 0.29 C ATOM 0 H5' U A 15 23.110 33.771 26.341 1.00 0.23 H new ATOM 0 H5'' U A 15 21.602 33.520 27.198 1.00 0.23 H new ATOM 0 H4' U A 15 21.300 34.358 24.913 1.00 0.22 H new ATOM 0 H3' U A 15 20.133 31.681 25.772 1.00 0.25 H new ATOM 0 H2' U A 15 19.172 31.440 23.508 1.00 0.31 H new ATOM 0 HO2' U A 15 18.624 33.058 22.291 1.00 0.41 H new ATOM 0 H1' U A 15 21.325 32.521 22.121 1.00 0.27 H new ATOM 0 H3 U A 15 20.901 28.118 21.015 1.00 0.37 H new ATOM 0 H5 U A 15 23.354 28.212 24.458 1.00 0.34 H new ATOM 0 H6 U A 15 22.815 30.559 24.696 1.00 0.29 H new ATOM 477 P C A 16 17.700 32.731 26.204 1.00 0.24 P ATOM 478 OP1 C A 16 16.898 33.761 26.906 1.00 0.29 O ATOM 479 OP2 C A 16 18.003 31.466 26.889 1.00 0.31 O ATOM 480 O5' C A 16 16.983 32.389 24.805 1.00 0.25 O ATOM 481 C5' C A 16 16.466 33.433 23.983 1.00 0.28 C ATOM 482 C4' C A 16 16.152 32.940 22.577 1.00 0.27 C ATOM 483 O4' C A 16 17.308 32.350 21.981 1.00 0.28 O ATOM 484 C3' C A 16 15.069 31.873 22.596 1.00 0.27 C ATOM 485 O3' C A 16 13.754 32.444 22.602 1.00 0.30 O ATOM 486 C2' C A 16 15.364 31.154 21.289 1.00 0.30 C ATOM 487 O2' C A 16 14.779 31.835 20.166 1.00 0.36 O ATOM 488 C1' C A 16 16.887 31.205 21.238 1.00 0.29 C ATOM 489 N1 C A 16 17.453 29.957 21.794 1.00 0.30 N ATOM 490 C2 C A 16 17.594 28.882 20.919 1.00 0.41 C ATOM 491 O2 C A 16 17.336 29.021 19.727 1.00 0.53 O ATOM 492 N3 C A 16 18.032 27.701 21.418 1.00 0.42 N ATOM 493 C4 C A 16 18.319 27.561 22.717 1.00 0.35 C ATOM 494 N4 C A 16 18.717 26.376 23.170 1.00 0.40 N ATOM 495 C5 C A 16 18.188 28.665 23.619 1.00 0.29 C ATOM 496 C6 C A 16 17.755 29.833 23.120 1.00 0.25 C ATOM 0 H5' C A 16 17.189 34.247 23.930 1.00 0.28 H new ATOM 0 H5'' C A 16 15.562 33.839 24.437 1.00 0.28 H new ATOM 0 H4' C A 16 15.819 33.808 22.008 1.00 0.27 H new ATOM 0 H3' C A 16 15.080 31.235 23.479 1.00 0.27 H new ATOM 0 H2' C A 16 14.954 30.145 21.243 1.00 0.30 H new ATOM 0 HO2' C A 16 14.989 31.347 19.342 1.00 0.36 H new ATOM 0 H1' C A 16 17.242 31.289 20.211 1.00 0.29 H new ATOM 0 H41 C A 16 18.939 26.256 24.158 1.00 0.40 H new ATOM 0 H42 C A 16 18.800 25.587 22.529 1.00 0.40 H new ATOM 0 H5 C A 16 18.430 28.561 24.666 1.00 0.29 H new ATOM 0 H6 C A 16 17.644 30.685 23.775 1.00 0.25 H new ATOM 508 P A A 17 12.470 31.549 23.017 1.00 0.28 P ATOM 509 OP1 A A 17 11.270 32.402 22.929 1.00 0.35 O ATOM 510 OP2 A A 17 12.763 30.851 24.293 1.00 0.36 O ATOM 511 O5' A A 17 12.401 30.459 21.833 1.00 0.28 O ATOM 512 C5' A A 17 12.143 30.869 20.484 1.00 0.34 C ATOM 513 C4' A A 17 12.332 29.719 19.501 1.00 0.33 C ATOM 514 O4' A A 17 13.636 29.154 19.641 1.00 0.36 O ATOM 515 C3' A A 17 11.315 28.609 19.745 1.00 0.33 C ATOM 516 O3' A A 17 10.097 28.829 19.014 1.00 0.43 O ATOM 517 C2' A A 17 12.070 27.398 19.234 1.00 0.34 C ATOM 518 O2' A A 17 11.936 27.278 17.805 1.00 0.45 O ATOM 519 C1' A A 17 13.507 27.723 19.621 1.00 0.34 C ATOM 520 N9 A A 17 13.870 27.124 20.925 1.00 0.36 N ATOM 521 C8 A A 17 14.166 27.742 22.100 1.00 0.43 C ATOM 522 N7 A A 17 14.468 26.939 23.075 1.00 0.48 N ATOM 523 C5 A A 17 14.362 25.683 22.492 1.00 0.42 C ATOM 524 C6 A A 17 14.561 24.391 22.977 1.00 0.46 C ATOM 525 N6 A A 17 14.924 24.121 24.232 1.00 0.55 N ATOM 526 N1 A A 17 14.367 23.371 22.126 1.00 0.45 N ATOM 527 C2 A A 17 14.010 23.615 20.859 1.00 0.41 C ATOM 528 N3 A A 17 13.804 24.790 20.299 1.00 0.37 N ATOM 529 C4 A A 17 14.009 25.788 21.182 1.00 0.36 C ATOM 0 H5' A A 17 12.811 31.689 20.218 1.00 0.34 H new ATOM 0 H5'' A A 17 11.125 31.250 20.408 1.00 0.34 H new ATOM 0 H4' A A 17 12.196 30.128 18.500 1.00 0.33 H new ATOM 0 H3' A A 17 10.988 28.525 20.781 1.00 0.33 H new ATOM 0 H2' A A 17 11.712 26.453 19.642 1.00 0.34 H new ATOM 0 HO2' A A 17 11.055 27.608 17.530 1.00 0.45 H new ATOM 0 HO3' A A 17 9.471 28.097 19.194 1.00 0.43 H new ATOM 0 H1' A A 17 14.197 27.294 18.894 1.00 0.34 H new ATOM 0 H8 A A 17 14.151 28.816 22.213 1.00 0.43 H new ATOM 0 H61 A A 17 15.054 23.154 24.528 1.00 0.55 H new ATOM 0 H62 A A 17 15.071 24.882 24.895 1.00 0.55 H new ATOM 0 H2 A A 17 13.876 22.752 20.224 1.00 0.41 H new TER 542 A A 17