USER MOD reduce.3.24.130724 H: found=0, std=0, add=167, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 167 hydrogens (12 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 -18:sc= 0.149 USER MOD Single : A 1 G O5' : rot 7:sc= 1.15 USER MOD Single : A 2 G O2' : rot -109:sc= 0.45 USER MOD Single : A 3 A O2' : rot -21:sc= 0.0883 USER MOD Single : A 4 G O2' : rot -121:sc= 0.628 USER MOD Single : A 5 A O2' : rot -80:sc= 0.958 USER MOD Single : A 6 G O2' : rot -157:sc= 0.433 USER MOD Single : A 7 H2U O2' : rot 143:sc= -1.26 USER MOD Single : A 8 G O2' : rot -9:sc= 0.178 USER MOD Single : A 9 G O2' : rot -103:sc= 1.04 USER MOD Single : A 10 A O2' : rot -19:sc= -0.21 USER MOD Single : A 11 A O2' : rot -170:sc= -2.21! USER MOD Single : A 12 C O2' : rot -27:sc= 0.135 USER MOD Single : A 13 U O2' : rot -5:sc= -0.706 USER MOD Single : A 14 C O2' : rot -15:sc= 0.169 USER MOD Single : A 15 C O2' : rot -14:sc= 0.185 USER MOD Single : A 15 C O3' : rot 180:sc= 0.164 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 25.601 17.924 20.043 1.00 0.00 O ATOM 2 C5' G A 1 25.208 17.818 18.672 1.00 0.00 C ATOM 3 C4' G A 1 24.029 18.730 18.347 1.00 0.00 C ATOM 4 O4' G A 1 22.905 18.423 19.176 1.00 0.00 O ATOM 5 C3' G A 1 24.410 20.187 18.588 1.00 0.00 C ATOM 6 O3' G A 1 24.942 20.797 17.410 1.00 0.00 O ATOM 7 C2' G A 1 23.064 20.791 18.973 1.00 0.00 C ATOM 8 O2' G A 1 22.293 21.133 17.818 1.00 0.00 O ATOM 9 C1' G A 1 22.421 19.643 19.743 1.00 0.00 C ATOM 10 N9 G A 1 22.753 19.736 21.177 1.00 0.00 N ATOM 11 C8 G A 1 23.443 18.847 21.958 1.00 0.00 C ATOM 12 N7 G A 1 23.596 19.220 23.198 1.00 0.00 N ATOM 13 C5 G A 1 22.954 20.454 23.240 1.00 0.00 C ATOM 14 C6 G A 1 22.790 21.344 24.333 1.00 0.00 C ATOM 15 O6 G A 1 23.193 21.217 25.487 1.00 0.00 O ATOM 16 N1 G A 1 22.082 22.480 23.969 1.00 0.00 N ATOM 17 C2 G A 1 21.591 22.730 22.703 1.00 0.00 C ATOM 18 N2 G A 1 20.930 23.877 22.542 1.00 0.00 N ATOM 19 N3 G A 1 21.747 21.892 21.670 1.00 0.00 N ATOM 20 C4 G A 1 22.436 20.779 22.014 1.00 0.00 C ATOM 0 H5' G A 1 24.940 16.785 18.450 1.00 0.00 H new ATOM 0 H5'' G A 1 26.052 18.073 18.031 1.00 0.00 H new ATOM 0 H4' G A 1 23.769 18.573 17.300 1.00 0.00 H new ATOM 0 H3' G A 1 25.190 20.323 19.337 1.00 0.00 H new ATOM 0 H2' G A 1 23.144 21.719 19.539 1.00 0.00 H new ATOM 0 HO2' G A 1 22.880 21.176 17.034 1.00 0.00 H new ATOM 0 HO5' G A 1 24.959 18.487 20.525 1.00 0.00 H new ATOM 0 H1' G A 1 21.335 19.684 19.665 1.00 0.00 H new ATOM 0 H8 G A 1 23.829 17.913 21.578 1.00 0.00 H new ATOM 0 H1 G A 1 21.912 23.182 24.689 1.00 0.00 H new ATOM 0 H21 G A 1 20.543 24.119 21.630 1.00 0.00 H new ATOM 0 H22 G A 1 20.811 24.512 23.331 1.00 0.00 H new ATOM 33 P G A 2 26.240 21.746 17.477 1.00 0.00 P ATOM 34 OP1 G A 2 26.601 22.131 16.094 1.00 0.00 O ATOM 35 OP2 G A 2 27.261 21.098 18.331 1.00 0.00 O ATOM 36 O5' G A 2 25.666 23.043 18.239 1.00 0.00 O ATOM 37 C5' G A 2 24.857 23.997 17.545 1.00 0.00 C ATOM 38 C4' G A 2 24.139 24.955 18.489 1.00 0.00 C ATOM 39 O4' G A 2 23.397 24.247 19.484 1.00 0.00 O ATOM 40 C3' G A 2 25.139 25.853 19.210 1.00 0.00 C ATOM 41 O3' G A 2 25.453 27.025 18.452 1.00 0.00 O ATOM 42 C2' G A 2 24.372 26.189 20.486 1.00 0.00 C ATOM 43 O2' G A 2 23.512 27.315 20.300 1.00 0.00 O ATOM 44 C1' G A 2 23.590 24.905 20.739 1.00 0.00 C ATOM 45 N9 G A 2 24.329 24.047 21.685 1.00 0.00 N ATOM 46 C8 G A 2 24.918 22.829 21.471 1.00 0.00 C ATOM 47 N7 G A 2 25.551 22.343 22.503 1.00 0.00 N ATOM 48 C5 G A 2 25.365 23.317 23.479 1.00 0.00 C ATOM 49 C6 G A 2 25.821 23.346 24.822 1.00 0.00 C ATOM 50 O6 G A 2 26.478 22.504 25.431 1.00 0.00 O ATOM 51 N1 G A 2 25.417 24.501 25.478 1.00 0.00 N ATOM 52 C2 G A 2 24.660 25.506 24.907 1.00 0.00 C ATOM 53 N2 G A 2 24.343 26.533 25.695 1.00 0.00 N ATOM 54 N3 G A 2 24.229 25.481 23.639 1.00 0.00 N ATOM 55 C4 G A 2 24.618 24.357 22.992 1.00 0.00 C ATOM 0 H5' G A 2 24.120 23.470 16.939 1.00 0.00 H new ATOM 0 H5'' G A 2 25.483 24.569 16.860 1.00 0.00 H new ATOM 0 H4' G A 2 23.462 25.551 17.876 1.00 0.00 H new ATOM 0 H3' G A 2 26.109 25.387 19.382 1.00 0.00 H new ATOM 0 H2' G A 2 25.011 26.475 21.321 1.00 0.00 H new ATOM 0 HO2' G A 2 23.871 28.085 20.788 1.00 0.00 H new ATOM 0 H1' G A 2 22.619 25.125 21.183 1.00 0.00 H new ATOM 0 H8 G A 2 24.863 22.313 20.524 1.00 0.00 H new ATOM 0 H1 G A 2 25.699 24.616 26.451 1.00 0.00 H new ATOM 0 H21 G A 2 23.786 27.304 25.328 1.00 0.00 H new ATOM 0 H22 G A 2 24.658 26.548 26.665 1.00 0.00 H new ATOM 67 P A A 3 26.839 27.807 18.699 1.00 0.00 P ATOM 68 OP1 A A 3 27.142 28.631 17.507 1.00 0.00 O ATOM 69 OP2 A A 3 27.847 26.835 19.177 1.00 0.00 O ATOM 70 O5' A A 3 26.463 28.788 19.918 1.00 0.00 O ATOM 71 C5' A A 3 25.745 30.000 19.668 1.00 0.00 C ATOM 72 C4' A A 3 25.267 30.662 20.955 1.00 0.00 C ATOM 73 O4' A A 3 24.554 29.729 21.771 1.00 0.00 O ATOM 74 C3' A A 3 26.427 31.197 21.788 1.00 0.00 C ATOM 75 O3' A A 3 26.822 32.514 21.393 1.00 0.00 O ATOM 76 C2' A A 3 25.805 31.179 23.180 1.00 0.00 C ATOM 77 O2' A A 3 24.925 32.288 23.383 1.00 0.00 O ATOM 78 C1' A A 3 25.036 29.863 23.110 1.00 0.00 C ATOM 79 N9 A A 3 25.925 28.742 23.468 1.00 0.00 N ATOM 80 C8 A A 3 26.451 27.770 22.659 1.00 0.00 C ATOM 81 N7 A A 3 27.213 26.907 23.270 1.00 0.00 N ATOM 82 C5 A A 3 27.194 27.346 24.590 1.00 0.00 C ATOM 83 C6 A A 3 27.802 26.872 25.763 1.00 0.00 C ATOM 84 N6 A A 3 28.574 25.786 25.801 1.00 0.00 N ATOM 85 N1 A A 3 27.575 27.549 26.896 1.00 0.00 N ATOM 86 C2 A A 3 26.801 28.623 26.893 1.00 0.00 C ATOM 87 N3 A A 3 26.175 29.162 25.858 1.00 0.00 N ATOM 88 C4 A A 3 26.413 28.465 24.722 1.00 0.00 C ATOM 0 H5' A A 3 24.887 29.787 19.031 1.00 0.00 H new ATOM 0 H5'' A A 3 26.384 30.693 19.121 1.00 0.00 H new ATOM 0 H4' A A 3 24.622 31.486 20.650 1.00 0.00 H new ATOM 0 H3' A A 3 27.348 30.621 21.695 1.00 0.00 H new ATOM 0 H2' A A 3 26.519 31.255 24.000 1.00 0.00 H new ATOM 0 HO2' A A 3 25.145 33.001 22.747 1.00 0.00 H new ATOM 0 H1' A A 3 24.202 29.854 23.812 1.00 0.00 H new ATOM 0 H8 A A 3 26.250 27.722 21.599 1.00 0.00 H new ATOM 0 H61 A A 3 28.991 25.487 26.683 1.00 0.00 H new ATOM 0 H62 A A 3 28.748 25.254 24.948 1.00 0.00 H new ATOM 0 H2 A A 3 26.664 29.116 27.844 1.00 0.00 H new ATOM 100 P G A 4 28.365 32.961 21.489 1.00 0.00 P ATOM 101 OP1 G A 4 28.470 34.365 21.031 1.00 0.00 O ATOM 102 OP2 G A 4 29.196 31.926 20.833 1.00 0.00 O ATOM 103 O5' G A 4 28.640 32.902 23.075 1.00 0.00 O ATOM 104 C5' G A 4 28.148 33.930 23.939 1.00 0.00 C ATOM 105 C4' G A 4 28.575 33.732 25.389 1.00 0.00 C ATOM 106 O4' G A 4 28.072 32.505 25.926 1.00 0.00 O ATOM 107 C3' G A 4 30.094 33.678 25.519 1.00 0.00 C ATOM 108 O3' G A 4 30.676 34.982 25.578 1.00 0.00 O ATOM 109 C2' G A 4 30.247 32.913 26.830 1.00 0.00 C ATOM 110 O2' G A 4 30.134 33.780 27.961 1.00 0.00 O ATOM 111 C1' G A 4 29.089 31.926 26.746 1.00 0.00 C ATOM 112 N9 G A 4 29.556 30.641 26.192 1.00 0.00 N ATOM 113 C8 G A 4 29.574 30.228 24.885 1.00 0.00 C ATOM 114 N7 G A 4 30.093 29.046 24.700 1.00 0.00 N ATOM 115 C5 G A 4 30.443 28.647 25.986 1.00 0.00 C ATOM 116 C6 G A 4 31.055 27.442 26.420 1.00 0.00 C ATOM 117 O6 G A 4 31.430 26.490 25.739 1.00 0.00 O ATOM 118 N1 G A 4 31.238 27.424 27.796 1.00 0.00 N ATOM 119 C2 G A 4 30.880 28.444 28.655 1.00 0.00 C ATOM 120 N2 G A 4 31.127 28.256 29.951 1.00 0.00 N ATOM 121 N3 G A 4 30.308 29.583 28.245 1.00 0.00 N ATOM 122 C4 G A 4 30.121 29.612 26.904 1.00 0.00 C ATOM 0 H5' G A 4 27.060 33.955 23.885 1.00 0.00 H new ATOM 0 H5'' G A 4 28.507 34.897 23.587 1.00 0.00 H new ATOM 0 H4' G A 4 28.169 34.583 25.936 1.00 0.00 H new ATOM 0 H3' G A 4 30.601 33.215 24.673 1.00 0.00 H new ATOM 0 H2' G A 4 31.219 32.437 26.958 1.00 0.00 H new ATOM 0 HO2' G A 4 30.954 33.729 28.495 1.00 0.00 H new ATOM 0 H1' G A 4 28.684 31.724 27.738 1.00 0.00 H new ATOM 0 H8 G A 4 29.190 30.831 24.076 1.00 0.00 H new ATOM 0 H1 G A 4 31.670 26.594 28.203 1.00 0.00 H new ATOM 0 H21 G A 4 30.882 28.979 30.627 1.00 0.00 H new ATOM 0 H22 G A 4 31.562 27.389 30.267 1.00 0.00 H new ATOM 134 P A A 5 32.267 35.178 25.418 1.00 0.00 P ATOM 135 OP1 A A 5 32.522 36.507 24.818 1.00 0.00 O ATOM 136 OP2 A A 5 32.832 33.976 24.766 1.00 0.00 O ATOM 137 O5' A A 5 32.763 35.206 26.949 1.00 0.00 O ATOM 138 C5' A A 5 33.906 34.455 27.369 1.00 0.00 C ATOM 139 C4' A A 5 33.645 33.707 28.672 1.00 0.00 C ATOM 140 O4' A A 5 32.637 32.710 28.484 1.00 0.00 O ATOM 141 C3' A A 5 34.908 33.026 29.185 1.00 0.00 C ATOM 142 O3' A A 5 35.611 33.871 30.100 1.00 0.00 O ATOM 143 C2' A A 5 34.345 31.779 29.860 1.00 0.00 C ATOM 144 O2' A A 5 33.972 32.044 31.215 1.00 0.00 O ATOM 145 C1' A A 5 33.125 31.469 28.998 1.00 0.00 C ATOM 146 N9 A A 5 33.468 30.550 27.896 1.00 0.00 N ATOM 147 C8 A A 5 33.317 30.729 26.545 1.00 0.00 C ATOM 148 N7 A A 5 33.692 29.717 25.815 1.00 0.00 N ATOM 149 C5 A A 5 34.132 28.796 26.760 1.00 0.00 C ATOM 150 C6 A A 5 34.669 27.503 26.652 1.00 0.00 C ATOM 151 N6 A A 5 34.851 26.888 25.483 1.00 0.00 N ATOM 152 N1 A A 5 35.007 26.876 27.785 1.00 0.00 N ATOM 153 C2 A A 5 34.833 27.463 28.959 1.00 0.00 C ATOM 154 N3 A A 5 34.335 28.669 29.186 1.00 0.00 N ATOM 155 C4 A A 5 34.002 29.291 28.030 1.00 0.00 C ATOM 0 H5' A A 5 34.754 35.127 27.499 1.00 0.00 H new ATOM 0 H5'' A A 5 34.180 33.743 26.590 1.00 0.00 H new ATOM 0 H4' A A 5 33.312 34.443 29.404 1.00 0.00 H new ATOM 0 H3' A A 5 35.641 32.797 28.411 1.00 0.00 H new ATOM 0 H2' A A 5 35.057 30.956 29.922 1.00 0.00 H new ATOM 0 HO2' A A 5 34.771 32.030 31.783 1.00 0.00 H new ATOM 0 H1' A A 5 32.361 30.973 29.597 1.00 0.00 H new ATOM 0 H8 A A 5 32.918 31.638 26.119 1.00 0.00 H new ATOM 0 H61 A A 5 35.245 25.948 25.457 1.00 0.00 H new ATOM 0 H62 A A 5 34.596 27.358 24.614 1.00 0.00 H new ATOM 0 H2 A A 5 35.130 26.895 29.828 1.00 0.00 H new ATOM 167 P G A 6 36.789 33.312 31.046 1.00 0.00 P ATOM 168 OP1 G A 6 36.197 32.862 32.325 1.00 0.00 O ATOM 169 OP2 G A 6 37.878 34.315 31.075 1.00 0.00 O ATOM 170 O5' G A 6 37.318 32.023 30.239 1.00 0.00 O ATOM 171 C5' G A 6 38.326 32.152 29.233 1.00 0.00 C ATOM 172 C4' G A 6 38.844 30.793 28.775 1.00 0.00 C ATOM 173 O4' G A 6 37.756 29.968 28.347 1.00 0.00 O ATOM 174 C3' G A 6 39.827 30.953 27.622 1.00 0.00 C ATOM 175 O3' G A 6 41.179 31.011 28.086 1.00 0.00 O ATOM 176 C2' G A 6 39.558 29.695 26.802 1.00 0.00 C ATOM 177 O2' G A 6 40.369 28.608 27.254 1.00 0.00 O ATOM 178 C1' G A 6 38.076 29.444 27.057 1.00 0.00 C ATOM 179 N9 G A 6 37.243 30.094 26.029 1.00 0.00 N ATOM 180 C8 G A 6 36.631 31.320 26.066 1.00 0.00 C ATOM 181 N7 G A 6 35.934 31.610 25.002 1.00 0.00 N ATOM 182 C5 G A 6 36.102 30.485 24.198 1.00 0.00 C ATOM 183 C6 G A 6 35.578 30.215 22.908 1.00 0.00 C ATOM 184 O6 G A 6 34.847 30.924 22.222 1.00 0.00 O ATOM 185 N1 G A 6 35.980 28.971 22.440 1.00 0.00 N ATOM 186 C2 G A 6 36.789 28.090 23.130 1.00 0.00 C ATOM 187 N2 G A 6 37.072 26.941 22.515 1.00 0.00 N ATOM 188 N3 G A 6 37.285 28.344 24.347 1.00 0.00 N ATOM 189 C4 G A 6 36.897 29.555 24.813 1.00 0.00 C ATOM 0 H5' G A 6 39.154 32.745 29.622 1.00 0.00 H new ATOM 0 H5'' G A 6 37.920 32.693 28.379 1.00 0.00 H new ATOM 0 H4' G A 6 39.352 30.325 29.618 1.00 0.00 H new ATOM 0 H3' G A 6 39.699 31.876 27.057 1.00 0.00 H new ATOM 0 H2' G A 6 39.795 29.799 25.743 1.00 0.00 H new ATOM 0 HO2' G A 6 40.464 27.950 26.534 1.00 0.00 H new ATOM 0 H1' G A 6 37.875 28.374 27.015 1.00 0.00 H new ATOM 0 H8 G A 6 36.719 31.991 26.908 1.00 0.00 H new ATOM 0 H1 G A 6 35.653 28.686 21.517 1.00 0.00 H new ATOM 0 H21 G A 6 37.665 26.249 22.974 1.00 0.00 H new ATOM 0 H22 G A 6 36.696 26.754 21.586 1.00 0.00 H new HETATM 201 P H2U A 7 42.426 30.936 27.070 1.00 0.00 P HETATM 202 OP1 H2U A 7 42.529 29.559 26.535 1.00 0.00 O HETATM 203 OP2 H2U A 7 43.607 31.542 27.725 1.00 0.00 O HETATM 204 O5' H2U A 7 41.954 31.909 25.879 1.00 0.00 O HETATM 205 C5' H2U A 7 42.476 31.760 24.555 1.00 0.00 C HETATM 206 C4' H2U A 7 42.008 30.475 23.882 1.00 0.00 C HETATM 207 O4' H2U A 7 40.582 30.373 23.928 1.00 0.00 O HETATM 208 C3' H2U A 7 42.443 30.429 22.420 1.00 0.00 C HETATM 209 O3' H2U A 7 42.732 29.095 21.995 1.00 0.00 O HETATM 210 C1' H2U A 7 40.076 30.538 22.601 1.00 0.00 C HETATM 211 C2' H2U A 7 41.221 30.992 21.702 1.00 0.00 C HETATM 212 O2' H2U A 7 41.097 30.460 20.380 1.00 0.00 O HETATM 213 N1 H2U A 7 38.979 31.524 22.582 1.00 0.00 N HETATM 214 C2 H2U A 7 38.022 31.413 21.589 1.00 0.00 C HETATM 215 O2 H2U A 7 37.959 30.431 20.853 1.00 0.00 O HETATM 216 N3 H2U A 7 37.159 32.491 21.448 1.00 0.00 N HETATM 217 C4 H2U A 7 37.218 33.653 22.205 1.00 0.00 C HETATM 218 O4 H2U A 7 36.299 34.470 22.195 1.00 0.00 O HETATM 219 C5 H2U A 7 38.448 33.887 23.042 1.00 0.00 C HETATM 220 C6 H2U A 7 38.912 32.554 23.620 1.00 0.00 C HETATM 0 HO2' H2U A 7 40.149 30.327 20.169 1.00 0.00 H new HETATM 0 H5'' H2U A 7 42.172 32.614 23.950 1.00 0.00 H new HETATM 0 HN3 H2U A 7 36.430 32.425 20.738 1.00 0.00 H new HETATM 0 H62 H2U A 7 38.228 32.237 24.407 1.00 0.00 H new HETATM 0 H61 H2U A 7 39.893 32.675 24.080 1.00 0.00 H new HETATM 0 H52 H2U A 7 39.238 34.331 22.436 1.00 0.00 H new HETATM 0 H51 H2U A 7 38.229 34.591 23.845 1.00 0.00 H new HETATM 0 H5' H2U A 7 43.565 31.769 24.595 1.00 0.00 H new HETATM 0 H4' H2U A 7 42.461 29.645 24.424 1.00 0.00 H new HETATM 0 H3' H2U A 7 43.361 30.983 22.223 1.00 0.00 H new HETATM 0 H2' H2U A 7 41.259 32.072 21.560 1.00 0.00 H new HETATM 0 H1' H2U A 7 39.674 29.592 22.239 1.00 0.00 H new ATOM 233 P G A 8 43.407 28.820 20.559 1.00 0.00 P ATOM 234 OP1 G A 8 43.925 30.095 20.012 1.00 0.00 O ATOM 235 OP2 G A 8 42.459 28.027 19.745 1.00 0.00 O ATOM 236 O5' G A 8 44.656 27.882 20.950 1.00 0.00 O ATOM 237 C5' G A 8 44.445 26.527 21.358 1.00 0.00 C ATOM 238 C4' G A 8 45.014 26.245 22.745 1.00 0.00 C ATOM 239 O4' G A 8 44.482 27.168 23.700 1.00 0.00 O ATOM 240 C3' G A 8 44.676 24.828 23.193 1.00 0.00 C ATOM 241 O3' G A 8 45.747 23.923 22.912 1.00 0.00 O ATOM 242 C2' G A 8 44.446 24.990 24.692 1.00 0.00 C ATOM 243 O2' G A 8 45.652 24.805 25.437 1.00 0.00 O ATOM 244 C1' G A 8 43.955 26.429 24.805 1.00 0.00 C ATOM 245 N9 G A 8 42.480 26.471 24.827 1.00 0.00 N ATOM 246 C8 G A 8 41.611 26.755 23.805 1.00 0.00 C ATOM 247 N7 G A 8 40.353 26.693 24.140 1.00 0.00 N ATOM 248 C5 G A 8 40.395 26.346 25.486 1.00 0.00 C ATOM 249 C6 G A 8 39.324 26.134 26.394 1.00 0.00 C ATOM 250 O6 G A 8 38.116 26.204 26.182 1.00 0.00 O ATOM 251 N1 G A 8 39.785 25.797 27.660 1.00 0.00 N ATOM 252 C2 G A 8 41.116 25.680 28.011 1.00 0.00 C ATOM 253 N2 G A 8 41.357 25.357 29.281 1.00 0.00 N ATOM 254 N3 G A 8 42.127 25.877 27.155 1.00 0.00 N ATOM 255 C4 G A 8 41.688 26.207 25.917 1.00 0.00 C ATOM 0 H5' G A 8 44.908 25.856 20.635 1.00 0.00 H new ATOM 0 H5'' G A 8 43.377 26.311 21.355 1.00 0.00 H new ATOM 0 H4' G A 8 46.097 26.357 22.687 1.00 0.00 H new ATOM 0 H3' G A 8 43.815 24.405 22.676 1.00 0.00 H new ATOM 0 H2' G A 8 43.748 24.255 25.094 1.00 0.00 H new ATOM 0 HO2' G A 8 46.357 24.475 24.842 1.00 0.00 H new ATOM 0 H1' G A 8 44.301 26.876 25.737 1.00 0.00 H new ATOM 0 H8 G A 8 41.941 27.008 22.808 1.00 0.00 H new ATOM 0 H1 G A 8 39.089 25.623 28.385 1.00 0.00 H new ATOM 0 H21 G A 8 42.318 25.254 29.608 1.00 0.00 H new ATOM 0 H22 G A 8 40.581 25.213 29.927 1.00 0.00 H new ATOM 267 P G A 9 45.903 23.250 21.457 1.00 0.00 P ATOM 268 OP1 G A 9 47.342 23.031 21.187 1.00 0.00 O ATOM 269 OP2 G A 9 45.101 24.027 20.485 1.00 0.00 O ATOM 270 O5' G A 9 45.214 21.809 21.658 1.00 0.00 O ATOM 271 C5' G A 9 43.806 21.690 21.878 1.00 0.00 C ATOM 272 C4' G A 9 43.427 20.289 22.346 1.00 0.00 C ATOM 273 O4' G A 9 43.965 20.036 23.646 1.00 0.00 O ATOM 274 C3' G A 9 41.909 20.154 22.405 1.00 0.00 C ATOM 275 O3' G A 9 41.391 19.560 21.212 1.00 0.00 O ATOM 276 C2' G A 9 41.704 19.250 23.617 1.00 0.00 C ATOM 277 O2' G A 9 41.669 17.873 23.232 1.00 0.00 O ATOM 278 C1' G A 9 42.912 19.567 24.492 1.00 0.00 C ATOM 279 N9 G A 9 42.580 20.578 25.513 1.00 0.00 N ATOM 280 C8 G A 9 42.091 21.849 25.353 1.00 0.00 C ATOM 281 N7 G A 9 41.905 22.498 26.469 1.00 0.00 N ATOM 282 C5 G A 9 42.299 21.583 27.440 1.00 0.00 C ATOM 283 C6 G A 9 42.317 21.723 28.853 1.00 0.00 C ATOM 284 O6 G A 9 41.956 22.683 29.531 1.00 0.00 O ATOM 285 N1 G A 9 42.790 20.576 29.473 1.00 0.00 N ATOM 286 C2 G A 9 43.194 19.429 28.818 1.00 0.00 C ATOM 287 N2 G A 9 43.621 18.432 29.591 1.00 0.00 N ATOM 288 N3 G A 9 43.171 19.293 27.486 1.00 0.00 N ATOM 289 C4 G A 9 42.715 20.409 26.870 1.00 0.00 C ATOM 0 H5' G A 9 43.272 21.923 20.957 1.00 0.00 H new ATOM 0 H5'' G A 9 43.491 22.421 22.623 1.00 0.00 H new ATOM 0 H4' G A 9 43.836 19.568 21.638 1.00 0.00 H new ATOM 0 H3' G A 9 41.391 21.109 22.487 1.00 0.00 H new ATOM 0 H2' G A 9 40.758 19.420 24.131 1.00 0.00 H new ATOM 0 HO2' G A 9 40.741 17.558 23.228 1.00 0.00 H new ATOM 0 H1' G A 9 43.226 18.667 25.021 1.00 0.00 H new ATOM 0 H8 G A 9 41.878 22.277 24.384 1.00 0.00 H new ATOM 0 H1 G A 9 42.844 20.580 30.492 1.00 0.00 H new ATOM 0 H21 G A 9 43.933 17.557 29.169 1.00 0.00 H new ATOM 0 H22 G A 9 43.636 18.543 30.605 1.00 0.00 H new ATOM 301 P A A 10 39.804 19.431 20.971 1.00 0.00 P ATOM 302 OP1 A A 10 39.564 19.249 19.521 1.00 0.00 O ATOM 303 OP2 A A 10 39.130 20.543 21.676 1.00 0.00 O ATOM 304 O5' A A 10 39.454 18.055 21.731 1.00 0.00 O ATOM 305 C5' A A 10 38.254 17.939 22.501 1.00 0.00 C ATOM 306 C4' A A 10 38.451 17.040 23.718 1.00 0.00 C ATOM 307 O4' A A 10 39.561 17.497 24.494 1.00 0.00 O ATOM 308 C3' A A 10 37.211 17.018 24.605 1.00 0.00 C ATOM 309 O3' A A 10 36.338 15.931 24.282 1.00 0.00 O ATOM 310 C2' A A 10 37.810 16.857 25.998 1.00 0.00 C ATOM 311 O2' A A 10 37.959 15.478 26.347 1.00 0.00 O ATOM 312 C1' A A 10 39.163 17.549 25.867 1.00 0.00 C ATOM 313 N9 A A 10 39.094 18.945 26.338 1.00 0.00 N ATOM 314 C8 A A 10 39.572 19.486 27.504 1.00 0.00 C ATOM 315 N7 A A 10 39.359 20.765 27.639 1.00 0.00 N ATOM 316 C5 A A 10 38.686 21.097 26.468 1.00 0.00 C ATOM 317 C6 A A 10 38.166 22.305 25.976 1.00 0.00 C ATOM 318 N6 A A 10 38.241 23.458 26.640 1.00 0.00 N ATOM 319 N1 A A 10 37.559 22.277 24.783 1.00 0.00 N ATOM 320 C2 A A 10 37.455 21.143 24.107 1.00 0.00 C ATOM 321 N3 A A 10 37.905 19.950 24.461 1.00 0.00 N ATOM 322 C4 A A 10 38.517 19.998 25.668 1.00 0.00 C ATOM 0 H5' A A 10 37.457 17.536 21.876 1.00 0.00 H new ATOM 0 H5'' A A 10 37.933 18.928 22.827 1.00 0.00 H new ATOM 0 H4' A A 10 38.638 16.031 23.349 1.00 0.00 H new ATOM 0 H3' A A 10 36.589 17.906 24.494 1.00 0.00 H new ATOM 0 H2' A A 10 37.186 17.279 26.786 1.00 0.00 H new ATOM 0 HO2' A A 10 37.381 14.931 25.774 1.00 0.00 H new ATOM 0 H1' A A 10 39.898 17.037 26.489 1.00 0.00 H new ATOM 0 H8 A A 10 40.085 18.899 28.252 1.00 0.00 H new ATOM 0 H61 A A 10 37.846 24.307 26.235 1.00 0.00 H new ATOM 0 H62 A A 10 38.694 23.492 27.553 1.00 0.00 H new ATOM 0 H2 A A 10 36.944 21.198 23.157 1.00 0.00 H new ATOM 334 P A A 11 34.738 16.097 24.347 1.00 0.00 P ATOM 335 OP1 A A 11 34.123 14.758 24.495 1.00 0.00 O ATOM 336 OP2 A A 11 34.297 16.963 23.230 1.00 0.00 O ATOM 337 O5' A A 11 34.519 16.913 25.717 1.00 0.00 O ATOM 338 C5' A A 11 34.813 16.322 26.986 1.00 0.00 C ATOM 339 C4' A A 11 35.072 17.369 28.065 1.00 0.00 C ATOM 340 O4' A A 11 36.078 18.294 27.647 1.00 0.00 O ATOM 341 C3' A A 11 33.807 18.167 28.369 1.00 0.00 C ATOM 342 O3' A A 11 33.045 17.579 29.426 1.00 0.00 O ATOM 343 C2' A A 11 34.384 19.519 28.776 1.00 0.00 C ATOM 344 O2' A A 11 34.797 19.530 30.145 1.00 0.00 O ATOM 345 C1' A A 11 35.585 19.622 27.841 1.00 0.00 C ATOM 346 N9 A A 11 35.181 20.230 26.559 1.00 0.00 N ATOM 347 C8 A A 11 34.819 19.608 25.393 1.00 0.00 C ATOM 348 N7 A A 11 34.450 20.411 24.435 1.00 0.00 N ATOM 349 C5 A A 11 34.586 21.669 25.015 1.00 0.00 C ATOM 350 C6 A A 11 34.360 22.967 24.531 1.00 0.00 C ATOM 351 N6 A A 11 33.929 23.224 23.295 1.00 0.00 N ATOM 352 N1 A A 11 34.600 23.989 25.362 1.00 0.00 N ATOM 353 C2 A A 11 35.032 23.766 26.594 1.00 0.00 C ATOM 354 N3 A A 11 35.276 22.595 27.161 1.00 0.00 N ATOM 355 C4 A A 11 35.031 21.573 26.306 1.00 0.00 C ATOM 0 H5' A A 11 35.687 15.678 26.891 1.00 0.00 H new ATOM 0 H5'' A A 11 33.981 15.687 27.291 1.00 0.00 H new ATOM 0 H4' A A 11 35.399 16.831 28.955 1.00 0.00 H new ATOM 0 H3' A A 11 33.109 18.216 27.533 1.00 0.00 H new ATOM 0 H2' A A 11 33.675 20.343 28.697 1.00 0.00 H new ATOM 0 HO2' A A 11 35.012 20.447 30.415 1.00 0.00 H new ATOM 0 H1' A A 11 36.363 20.256 28.266 1.00 0.00 H new ATOM 0 H8 A A 11 34.838 18.534 25.277 1.00 0.00 H new ATOM 0 H61 A A 11 33.782 24.188 22.996 1.00 0.00 H new ATOM 0 H62 A A 11 33.747 22.456 22.649 1.00 0.00 H new ATOM 0 H2 A A 11 35.205 24.639 27.206 1.00 0.00 H new ATOM 367 P C A 12 31.548 18.080 29.740 1.00 0.00 P ATOM 368 OP1 C A 12 30.910 17.112 30.660 1.00 0.00 O ATOM 369 OP2 C A 12 30.885 18.404 28.459 1.00 0.00 O ATOM 370 O5' C A 12 31.792 19.455 30.541 1.00 0.00 O ATOM 371 C5' C A 12 32.488 19.453 31.791 1.00 0.00 C ATOM 372 C4' C A 12 32.650 20.853 32.375 1.00 0.00 C ATOM 373 O4' C A 12 33.369 21.701 31.478 1.00 0.00 O ATOM 374 C3' C A 12 31.290 21.494 32.633 1.00 0.00 C ATOM 375 O3' C A 12 30.781 21.150 33.924 1.00 0.00 O ATOM 376 C2' C A 12 31.632 22.975 32.520 1.00 0.00 C ATOM 377 O2' C A 12 32.128 23.495 33.757 1.00 0.00 O ATOM 378 C1' C A 12 32.707 22.968 31.438 1.00 0.00 C ATOM 379 N1 C A 12 32.132 23.209 30.102 1.00 0.00 N ATOM 380 C2 C A 12 32.228 24.486 29.577 1.00 0.00 C ATOM 381 O2 C A 12 32.771 25.377 30.226 1.00 0.00 O ATOM 382 N3 C A 12 31.689 24.737 28.357 1.00 0.00 N ATOM 383 C4 C A 12 31.066 23.773 27.666 1.00 0.00 C ATOM 384 N4 C A 12 30.509 24.068 26.492 1.00 0.00 N ATOM 385 C5 C A 12 30.961 22.446 28.198 1.00 0.00 C ATOM 386 C6 C A 12 31.509 22.211 29.409 1.00 0.00 C ATOM 0 H5' C A 12 33.472 19.005 31.654 1.00 0.00 H new ATOM 0 H5'' C A 12 31.949 18.827 32.502 1.00 0.00 H new ATOM 0 H4' C A 12 33.199 20.746 33.310 1.00 0.00 H new ATOM 0 H3' C A 12 30.504 21.172 31.950 1.00 0.00 H new ATOM 0 H2' C A 12 30.777 23.608 32.283 1.00 0.00 H new ATOM 0 HO2' C A 12 31.765 22.970 34.501 1.00 0.00 H new ATOM 0 H1' C A 12 33.416 23.774 31.627 1.00 0.00 H new ATOM 0 H41 C A 12 30.032 23.342 25.957 1.00 0.00 H new ATOM 0 H42 C A 12 30.560 25.020 26.128 1.00 0.00 H new ATOM 0 H5 C A 12 30.461 21.662 27.649 1.00 0.00 H new ATOM 0 H6 C A 12 31.454 21.220 29.836 1.00 0.00 H new ATOM 398 P U A 13 29.194 21.072 34.183 1.00 0.00 P ATOM 399 OP1 U A 13 28.961 20.549 35.547 1.00 0.00 O ATOM 400 OP2 U A 13 28.563 20.390 33.032 1.00 0.00 O ATOM 401 O5' U A 13 28.770 22.625 34.130 1.00 0.00 O ATOM 402 C5' U A 13 28.763 23.428 35.313 1.00 0.00 C ATOM 403 C4' U A 13 28.146 24.803 35.081 1.00 0.00 C ATOM 404 O4' U A 13 28.926 25.581 34.167 1.00 0.00 O ATOM 405 C3' U A 13 26.739 24.691 34.502 1.00 0.00 C ATOM 406 O3' U A 13 25.754 24.540 35.527 1.00 0.00 O ATOM 407 C2' U A 13 26.607 26.035 33.794 1.00 0.00 C ATOM 408 O2' U A 13 26.192 27.062 34.698 1.00 0.00 O ATOM 409 C1' U A 13 28.027 26.263 33.289 1.00 0.00 C ATOM 410 N1 U A 13 28.150 25.773 31.903 1.00 0.00 N ATOM 411 C2 U A 13 27.927 26.690 30.892 1.00 0.00 C ATOM 412 O2 U A 13 27.692 27.873 31.130 1.00 0.00 O ATOM 413 N3 U A 13 28.019 26.199 29.597 1.00 0.00 N ATOM 414 C4 U A 13 28.307 24.889 29.244 1.00 0.00 C ATOM 415 O4 U A 13 28.341 24.552 28.062 1.00 0.00 O ATOM 416 C5 U A 13 28.531 24.010 30.368 1.00 0.00 C ATOM 417 C6 U A 13 28.437 24.466 31.635 1.00 0.00 C ATOM 0 H5' U A 13 29.785 23.548 35.673 1.00 0.00 H new ATOM 0 H5'' U A 13 28.208 22.911 36.096 1.00 0.00 H new ATOM 0 H4' U A 13 28.115 25.289 36.056 1.00 0.00 H new ATOM 0 H3' U A 13 26.589 23.825 33.857 1.00 0.00 H new ATOM 0 H2' U A 13 25.856 26.049 33.004 1.00 0.00 H new ATOM 0 HO2' U A 13 25.996 26.668 35.574 1.00 0.00 H new ATOM 0 H1' U A 13 28.270 27.326 33.283 1.00 0.00 H new ATOM 0 H3 U A 13 27.861 26.861 28.837 1.00 0.00 H new ATOM 0 H5 U A 13 28.777 22.973 30.192 1.00 0.00 H new ATOM 0 H6 U A 13 28.592 23.781 32.455 1.00 0.00 H new ATOM 428 P C A 14 24.382 23.754 35.217 1.00 0.00 P ATOM 429 OP1 C A 14 23.532 23.796 36.427 1.00 0.00 O ATOM 430 OP2 C A 14 24.725 22.444 34.618 1.00 0.00 O ATOM 431 O5' C A 14 23.715 24.684 34.086 1.00 0.00 O ATOM 432 C5' C A 14 23.248 25.997 34.401 1.00 0.00 C ATOM 433 C4' C A 14 22.906 26.810 33.156 1.00 0.00 C ATOM 434 O4' C A 14 24.055 26.989 32.323 1.00 0.00 O ATOM 435 C3' C A 14 21.843 26.107 32.319 1.00 0.00 C ATOM 436 O3' C A 14 20.518 26.415 32.760 1.00 0.00 O ATOM 437 C2' C A 14 22.130 26.676 30.933 1.00 0.00 C ATOM 438 O2' C A 14 21.451 27.918 30.731 1.00 0.00 O ATOM 439 C1' C A 14 23.643 26.869 30.960 1.00 0.00 C ATOM 440 N1 C A 14 24.320 25.738 30.296 1.00 0.00 N ATOM 441 C2 C A 14 24.787 25.940 29.010 1.00 0.00 C ATOM 442 O2 C A 14 24.651 27.035 28.468 1.00 0.00 O ATOM 443 N3 C A 14 25.390 24.904 28.370 1.00 0.00 N ATOM 444 C4 C A 14 25.529 23.713 28.965 1.00 0.00 C ATOM 445 N4 C A 14 26.116 22.720 28.295 1.00 0.00 N ATOM 446 C5 C A 14 25.050 23.496 30.297 1.00 0.00 C ATOM 447 C6 C A 14 24.455 24.534 30.924 1.00 0.00 C ATOM 0 H5' C A 14 24.011 26.522 34.976 1.00 0.00 H new ATOM 0 H5'' C A 14 22.365 25.923 35.036 1.00 0.00 H new ATOM 0 H4' C A 14 22.539 27.775 33.506 1.00 0.00 H new ATOM 0 H3' C A 14 21.886 25.019 32.372 1.00 0.00 H new ATOM 0 H2' C A 14 21.790 26.033 30.121 1.00 0.00 H new ATOM 0 HO2' C A 14 20.765 28.032 31.422 1.00 0.00 H new ATOM 0 H1' C A 14 23.917 27.773 30.416 1.00 0.00 H new ATOM 0 H41 C A 14 26.230 21.806 28.734 1.00 0.00 H new ATOM 0 H42 C A 14 26.451 22.875 27.344 1.00 0.00 H new ATOM 0 H5 C A 14 25.160 22.538 30.782 1.00 0.00 H new ATOM 0 H6 C A 14 24.083 24.410 31.930 1.00 0.00 H new ATOM 459 P C A 15 19.319 25.373 32.502 1.00 0.00 P ATOM 460 OP1 C A 15 18.158 25.775 33.330 1.00 0.00 O ATOM 461 OP2 C A 15 19.846 23.996 32.626 1.00 0.00 O ATOM 462 O5' C A 15 18.966 25.634 30.954 1.00 0.00 O ATOM 463 C5' C A 15 18.145 26.739 30.563 1.00 0.00 C ATOM 464 C4' C A 15 17.703 26.635 29.106 1.00 0.00 C ATOM 465 O4' C A 15 18.821 26.806 28.230 1.00 0.00 O ATOM 466 C3' C A 15 17.074 25.278 28.815 1.00 0.00 C ATOM 467 O3' C A 15 15.657 25.294 29.009 1.00 0.00 O ATOM 468 C2' C A 15 17.452 25.041 27.357 1.00 0.00 C ATOM 469 O2' C A 15 16.486 25.609 26.467 1.00 0.00 O ATOM 470 C1' C A 15 18.793 25.760 27.255 1.00 0.00 C ATOM 471 N1 C A 15 19.912 24.825 27.476 1.00 0.00 N ATOM 472 C2 C A 15 20.606 24.378 26.366 1.00 0.00 C ATOM 473 O2 C A 15 20.294 24.762 25.241 1.00 0.00 O ATOM 474 N3 C A 15 21.648 23.528 26.556 1.00 0.00 N ATOM 475 C4 C A 15 22.003 23.133 27.785 1.00 0.00 C ATOM 476 N4 C A 15 23.036 22.305 27.936 1.00 0.00 N ATOM 477 C5 C A 15 21.290 23.593 28.940 1.00 0.00 C ATOM 478 C6 C A 15 20.252 24.432 28.738 1.00 0.00 C ATOM 0 H5' C A 15 18.695 27.669 30.710 1.00 0.00 H new ATOM 0 H5'' C A 15 17.266 26.783 31.206 1.00 0.00 H new ATOM 0 H4' C A 15 16.967 27.421 28.937 1.00 0.00 H new ATOM 0 H3' C A 15 17.423 24.489 29.481 1.00 0.00 H new ATOM 0 H2' C A 15 17.497 23.987 27.082 1.00 0.00 H new ATOM 0 HO2' C A 15 15.674 25.835 26.967 1.00 0.00 H new ATOM 0 HO3' C A 15 15.290 24.407 28.811 1.00 0.00 H new ATOM 0 H1' C A 15 18.906 26.177 26.254 1.00 0.00 H new ATOM 0 H41 C A 15 23.313 22.000 28.869 1.00 0.00 H new ATOM 0 H42 C A 15 23.550 21.977 27.119 1.00 0.00 H new ATOM 0 H5 C A 15 21.572 23.280 29.934 1.00 0.00 H new ATOM 0 H6 C A 15 19.686 24.796 29.583 1.00 0.00 H new TER 491 C A 15