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 180:sc= -0.0774 USER MOD Single : A 1 G O5' : rot 180:sc= -0.326 USER MOD Single : A 2 G O2' : rot -24:sc= 0.152 USER MOD Single : A 3 A O2' : rot -150:sc= -1.38 USER MOD Single : A 4 G O2' : rot -71:sc= 0.515 USER MOD Single : A 5 A O2' : rot -20:sc= 0.213 USER MOD Single : A 6 G O2' : rot 158:sc= 1.76 USER MOD Single : A 7 H2U O2' : rot 180:sc= -0.716 USER MOD Single : A 8 G O2' : rot -76:sc= 0.35 USER MOD Single : A 9 G O2' : rot -118:sc= 0.586 USER MOD Single : A 10 A O2' : rot -70:sc= 0.991 USER MOD Single : A 11 A O2' : rot 2:sc= -2.25! USER MOD Single : A 12 C O2' : rot -10:sc= 0.0994 USER MOD Single : A 13 U O2' : rot 180:sc= -2.18! USER MOD Single : A 14 C O2' : rot 180:sc= -0.15 USER MOD Single : A 15 C O2' : rot -20:sc= 0.201 USER MOD Single : A 15 C O3' : rot 180:sc= 0.174 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 23.313 17.984 18.896 1.00 0.00 O ATOM 2 C5' G A 1 22.732 18.194 17.607 1.00 0.00 C ATOM 3 C4' G A 1 21.796 19.397 17.574 1.00 0.00 C ATOM 4 O4' G A 1 20.734 19.247 18.520 1.00 0.00 O ATOM 5 C3' G A 1 22.537 20.684 17.920 1.00 0.00 C ATOM 6 O3' G A 1 23.157 21.279 16.776 1.00 0.00 O ATOM 7 C2' G A 1 21.403 21.541 18.472 1.00 0.00 C ATOM 8 O2' G A 1 20.670 22.192 17.430 1.00 0.00 O ATOM 9 C1' G A 1 20.550 20.498 19.187 1.00 0.00 C ATOM 10 N9 G A 1 20.938 20.389 20.607 1.00 0.00 N ATOM 11 C8 G A 1 21.734 19.448 21.209 1.00 0.00 C ATOM 12 N7 G A 1 21.914 19.629 22.487 1.00 0.00 N ATOM 13 C5 G A 1 21.176 20.778 22.752 1.00 0.00 C ATOM 14 C6 G A 1 20.994 21.464 23.981 1.00 0.00 C ATOM 15 O6 G A 1 21.447 21.177 25.086 1.00 0.00 O ATOM 16 N1 G A 1 20.180 22.578 23.829 1.00 0.00 N ATOM 17 C2 G A 1 19.613 22.985 22.637 1.00 0.00 C ATOM 18 N2 G A 1 18.863 24.087 22.684 1.00 0.00 N ATOM 19 N3 G A 1 19.786 22.340 21.477 1.00 0.00 N ATOM 20 C4 G A 1 20.579 21.251 21.614 1.00 0.00 C ATOM 0 H5' G A 1 22.181 17.301 17.311 1.00 0.00 H new ATOM 0 H5'' G A 1 23.526 18.336 16.874 1.00 0.00 H new ATOM 0 H4' G A 1 21.398 19.453 16.561 1.00 0.00 H new ATOM 0 H3' G A 1 23.367 20.544 18.613 1.00 0.00 H new ATOM 0 H2' G A 1 21.741 22.356 19.112 1.00 0.00 H new ATOM 0 HO2' G A 1 19.951 22.730 17.823 1.00 0.00 H new ATOM 0 HO5' G A 1 23.903 17.202 18.866 1.00 0.00 H new ATOM 0 H1' G A 1 19.500 20.791 19.158 1.00 0.00 H new ATOM 0 H8 G A 1 22.176 18.624 20.668 1.00 0.00 H new ATOM 0 H1 G A 1 19.986 23.138 24.659 1.00 0.00 H new ATOM 0 H21 G A 1 18.418 24.437 21.836 1.00 0.00 H new ATOM 0 H22 G A 1 18.735 24.579 23.568 1.00 0.00 H new ATOM 33 P G A 2 24.552 22.067 16.925 1.00 0.00 P ATOM 34 OP1 G A 2 24.925 22.622 15.604 1.00 0.00 O ATOM 35 OP2 G A 2 25.519 21.201 17.636 1.00 0.00 O ATOM 36 O5' G A 2 24.142 23.287 17.893 1.00 0.00 O ATOM 37 C5' G A 2 23.208 24.276 17.449 1.00 0.00 C ATOM 38 C4' G A 2 22.520 24.996 18.604 1.00 0.00 C ATOM 39 O4' G A 2 22.019 24.063 19.564 1.00 0.00 O ATOM 40 C3' G A 2 23.499 25.914 19.328 1.00 0.00 C ATOM 41 O3' G A 2 23.596 27.191 18.691 1.00 0.00 O ATOM 42 C2' G A 2 22.862 25.996 20.710 1.00 0.00 C ATOM 43 O2' G A 2 21.881 27.034 20.782 1.00 0.00 O ATOM 44 C1' G A 2 22.229 24.618 20.865 1.00 0.00 C ATOM 45 N9 G A 2 23.097 23.749 21.683 1.00 0.00 N ATOM 46 C8 G A 2 23.637 22.525 21.380 1.00 0.00 C ATOM 47 N7 G A 2 24.403 22.026 22.310 1.00 0.00 N ATOM 48 C5 G A 2 24.361 22.990 23.311 1.00 0.00 C ATOM 49 C6 G A 2 24.997 23.004 24.580 1.00 0.00 C ATOM 50 O6 G A 2 25.708 22.140 25.088 1.00 0.00 O ATOM 51 N1 G A 2 24.705 24.162 25.287 1.00 0.00 N ATOM 52 C2 G A 2 23.885 25.178 24.835 1.00 0.00 C ATOM 53 N2 G A 2 23.700 26.205 25.664 1.00 0.00 N ATOM 54 N3 G A 2 23.282 25.167 23.640 1.00 0.00 N ATOM 55 C4 G A 2 23.568 24.045 22.939 1.00 0.00 C ATOM 0 H5' G A 2 22.454 23.802 16.821 1.00 0.00 H new ATOM 0 H5'' G A 2 23.726 25.007 16.828 1.00 0.00 H new ATOM 0 H4' G A 2 21.701 25.573 18.175 1.00 0.00 H new ATOM 0 H3' G A 2 24.529 25.556 19.342 1.00 0.00 H new ATOM 0 H2' G A 2 23.575 26.238 21.498 1.00 0.00 H new ATOM 0 HO2' G A 2 22.071 27.711 20.099 1.00 0.00 H new ATOM 0 H1' G A 2 21.270 24.700 21.377 1.00 0.00 H new ATOM 0 H8 G A 2 23.444 22.016 20.447 1.00 0.00 H new ATOM 0 H1 G A 2 25.127 24.271 26.209 1.00 0.00 H new ATOM 0 H21 G A 2 23.105 26.985 25.385 1.00 0.00 H new ATOM 0 H22 G A 2 24.154 26.211 26.577 1.00 0.00 H new ATOM 67 P A A 3 24.954 28.052 18.765 1.00 0.00 P ATOM 68 OP1 A A 3 24.990 28.962 17.599 1.00 0.00 O ATOM 69 OP2 A A 3 26.085 27.127 18.999 1.00 0.00 O ATOM 70 O5' A A 3 24.725 28.928 20.098 1.00 0.00 O ATOM 71 C5' A A 3 24.000 30.159 20.043 1.00 0.00 C ATOM 72 C4' A A 3 23.859 30.806 21.417 1.00 0.00 C ATOM 73 O4' A A 3 23.258 29.896 22.341 1.00 0.00 O ATOM 74 C3' A A 3 25.204 31.234 21.993 1.00 0.00 C ATOM 75 O3' A A 3 25.567 32.553 21.577 1.00 0.00 O ATOM 76 C2' A A 3 24.920 31.160 23.490 1.00 0.00 C ATOM 77 O2' A A 3 24.230 32.317 23.971 1.00 0.00 O ATOM 78 C1' A A 3 24.038 29.917 23.540 1.00 0.00 C ATOM 79 N9 A A 3 24.873 28.705 23.633 1.00 0.00 N ATOM 80 C8 A A 3 25.082 27.730 22.692 1.00 0.00 C ATOM 81 N7 A A 3 25.860 26.759 23.083 1.00 0.00 N ATOM 82 C5 A A 3 26.192 27.122 24.383 1.00 0.00 C ATOM 83 C6 A A 3 26.994 26.523 25.369 1.00 0.00 C ATOM 84 N6 A A 3 27.606 25.351 25.196 1.00 0.00 N ATOM 85 N1 A A 3 27.112 27.158 26.541 1.00 0.00 N ATOM 86 C2 A A 3 26.489 28.309 26.748 1.00 0.00 C ATOM 87 N3 A A 3 25.706 28.967 25.907 1.00 0.00 N ATOM 88 C4 A A 3 25.604 28.311 24.728 1.00 0.00 C ATOM 0 H5' A A 3 23.010 29.977 19.625 1.00 0.00 H new ATOM 0 H5'' A A 3 24.508 30.848 19.369 1.00 0.00 H new ATOM 0 H4' A A 3 23.233 31.687 21.278 1.00 0.00 H new ATOM 0 H3' A A 3 26.046 30.621 21.670 1.00 0.00 H new ATOM 0 H2' A A 3 25.812 31.117 24.115 1.00 0.00 H new ATOM 0 HO2' A A 3 24.473 32.478 24.907 1.00 0.00 H new ATOM 0 H1' A A 3 23.389 29.940 24.415 1.00 0.00 H new ATOM 0 H8 A A 3 24.639 27.763 21.708 1.00 0.00 H new ATOM 0 H61 A A 3 28.178 24.959 25.944 1.00 0.00 H new ATOM 0 H62 A A 3 27.502 24.847 24.316 1.00 0.00 H new ATOM 0 H2 A A 3 26.637 28.764 27.716 1.00 0.00 H new ATOM 100 P G A 4 27.111 33.009 21.546 1.00 0.00 P ATOM 101 OP1 G A 4 27.177 34.417 21.095 1.00 0.00 O ATOM 102 OP2 G A 4 27.881 31.982 20.809 1.00 0.00 O ATOM 103 O5' G A 4 27.512 32.940 23.104 1.00 0.00 O ATOM 104 C5' G A 4 26.942 33.853 24.047 1.00 0.00 C ATOM 105 C4' G A 4 27.462 33.626 25.463 1.00 0.00 C ATOM 106 O4' G A 4 27.138 32.312 25.923 1.00 0.00 O ATOM 107 C3' G A 4 28.978 33.780 25.515 1.00 0.00 C ATOM 108 O3' G A 4 29.372 35.135 25.749 1.00 0.00 O ATOM 109 C2' G A 4 29.339 32.879 26.692 1.00 0.00 C ATOM 110 O2' G A 4 29.269 33.585 27.933 1.00 0.00 O ATOM 111 C1' G A 4 28.268 31.794 26.631 1.00 0.00 C ATOM 112 N9 G A 4 28.782 30.583 25.966 1.00 0.00 N ATOM 113 C8 G A 4 28.648 30.191 24.659 1.00 0.00 C ATOM 114 N7 G A 4 29.243 29.067 24.370 1.00 0.00 N ATOM 115 C5 G A 4 29.811 28.685 25.581 1.00 0.00 C ATOM 116 C6 G A 4 30.589 27.538 25.888 1.00 0.00 C ATOM 117 O6 G A 4 30.924 26.619 25.145 1.00 0.00 O ATOM 118 N1 G A 4 30.972 27.520 27.222 1.00 0.00 N ATOM 119 C2 G A 4 30.648 28.490 28.150 1.00 0.00 C ATOM 120 N2 G A 4 31.106 28.322 29.391 1.00 0.00 N ATOM 121 N3 G A 4 29.920 29.576 27.859 1.00 0.00 N ATOM 122 C4 G A 4 29.540 29.604 26.560 1.00 0.00 C ATOM 0 H5' G A 4 25.857 33.748 24.040 1.00 0.00 H new ATOM 0 H5'' G A 4 27.165 34.875 23.740 1.00 0.00 H new ATOM 0 H4' G A 4 26.987 34.372 26.100 1.00 0.00 H new ATOM 0 H3' G A 4 29.477 33.515 24.583 1.00 0.00 H new ATOM 0 H2' G A 4 30.357 32.494 26.634 1.00 0.00 H new ATOM 0 HO2' G A 4 30.006 34.228 27.985 1.00 0.00 H new ATOM 0 H1' G A 4 27.977 31.513 27.643 1.00 0.00 H new ATOM 0 H8 G A 4 28.096 30.765 23.930 1.00 0.00 H new ATOM 0 H1 G A 4 31.535 26.731 27.541 1.00 0.00 H new ATOM 0 H21 G A 4 30.893 29.012 30.111 1.00 0.00 H new ATOM 0 H22 G A 4 31.670 27.503 29.620 1.00 0.00 H new ATOM 134 P A A 5 30.915 35.571 25.619 1.00 0.00 P ATOM 135 OP1 A A 5 31.003 37.039 25.789 1.00 0.00 O ATOM 136 OP2 A A 5 31.483 34.949 24.403 1.00 0.00 O ATOM 137 O5' A A 5 31.573 34.868 26.910 1.00 0.00 O ATOM 138 C5' A A 5 32.928 34.414 26.870 1.00 0.00 C ATOM 139 C4' A A 5 33.218 33.411 27.981 1.00 0.00 C ATOM 140 O4' A A 5 32.362 32.271 27.869 1.00 0.00 O ATOM 141 C3' A A 5 34.666 32.934 27.922 1.00 0.00 C ATOM 142 O3' A A 5 35.518 33.715 28.763 1.00 0.00 O ATOM 143 C2' A A 5 34.559 31.498 28.426 1.00 0.00 C ATOM 144 O2' A A 5 34.695 31.439 29.849 1.00 0.00 O ATOM 145 C1' A A 5 33.162 31.090 27.973 1.00 0.00 C ATOM 146 N9 A A 5 33.208 30.389 26.677 1.00 0.00 N ATOM 147 C8 A A 5 32.517 30.659 25.523 1.00 0.00 C ATOM 148 N7 A A 5 32.767 29.844 24.537 1.00 0.00 N ATOM 149 C5 A A 5 33.700 28.966 25.076 1.00 0.00 C ATOM 150 C6 A A 5 34.377 27.851 24.556 1.00 0.00 C ATOM 151 N6 A A 5 34.222 27.410 23.309 1.00 0.00 N ATOM 152 N1 A A 5 35.230 27.209 25.364 1.00 0.00 N ATOM 153 C2 A A 5 35.418 27.626 26.606 1.00 0.00 C ATOM 154 N3 A A 5 34.837 28.652 27.208 1.00 0.00 N ATOM 155 C4 A A 5 33.976 29.289 26.379 1.00 0.00 C ATOM 0 H5' A A 5 33.601 35.266 26.964 1.00 0.00 H new ATOM 0 H5'' A A 5 33.130 33.954 25.902 1.00 0.00 H new ATOM 0 H4' A A 5 33.038 33.918 28.929 1.00 0.00 H new ATOM 0 H3' A A 5 35.105 33.019 26.928 1.00 0.00 H new ATOM 0 H2' A A 5 35.340 30.841 28.044 1.00 0.00 H new ATOM 0 HO2' A A 5 35.140 32.251 30.169 1.00 0.00 H new ATOM 0 H1' A A 5 32.730 30.403 28.701 1.00 0.00 H new ATOM 0 H8 A A 5 31.822 31.481 25.438 1.00 0.00 H new ATOM 0 H61 A A 5 34.742 26.593 22.988 1.00 0.00 H new ATOM 0 H62 A A 5 33.583 27.889 22.674 1.00 0.00 H new ATOM 0 H2 A A 5 36.127 27.065 27.196 1.00 0.00 H new ATOM 167 P G A 6 37.001 34.115 28.280 1.00 0.00 P ATOM 168 OP1 G A 6 37.667 34.841 29.384 1.00 0.00 O ATOM 169 OP2 G A 6 36.909 34.752 26.947 1.00 0.00 O ATOM 170 O5' G A 6 37.700 32.675 28.106 1.00 0.00 O ATOM 171 C5' G A 6 38.354 32.033 29.204 1.00 0.00 C ATOM 172 C4' G A 6 39.121 30.787 28.771 1.00 0.00 C ATOM 173 O4' G A 6 38.237 29.796 28.243 1.00 0.00 O ATOM 174 C3' G A 6 40.135 31.136 27.686 1.00 0.00 C ATOM 175 O3' G A 6 41.400 31.514 28.236 1.00 0.00 O ATOM 176 C2' G A 6 40.228 29.832 26.902 1.00 0.00 C ATOM 177 O2' G A 6 41.212 28.962 27.469 1.00 0.00 O ATOM 178 C1' G A 6 38.821 29.264 27.050 1.00 0.00 C ATOM 179 N9 G A 6 37.996 29.601 25.875 1.00 0.00 N ATOM 180 C8 G A 6 37.251 30.727 25.639 1.00 0.00 C ATOM 181 N7 G A 6 36.639 30.732 24.487 1.00 0.00 N ATOM 182 C5 G A 6 37.007 29.516 23.920 1.00 0.00 C ATOM 183 C6 G A 6 36.648 28.957 22.666 1.00 0.00 C ATOM 184 O6 G A 6 35.927 29.440 21.796 1.00 0.00 O ATOM 185 N1 G A 6 37.232 27.713 22.474 1.00 0.00 N ATOM 186 C2 G A 6 38.059 27.078 23.378 1.00 0.00 C ATOM 187 N2 G A 6 38.522 25.876 23.033 1.00 0.00 N ATOM 188 N3 G A 6 38.395 27.599 24.565 1.00 0.00 N ATOM 189 C4 G A 6 37.831 28.815 24.760 1.00 0.00 C ATOM 0 H5' G A 6 37.614 31.759 29.955 1.00 0.00 H new ATOM 0 H5'' G A 6 39.042 32.735 29.676 1.00 0.00 H new ATOM 0 H4' G A 6 39.627 30.397 29.654 1.00 0.00 H new ATOM 0 H3' G A 6 39.842 31.992 27.079 1.00 0.00 H new ATOM 0 H2' G A 6 40.533 29.961 25.864 1.00 0.00 H new ATOM 0 HO2' G A 6 41.023 28.038 27.204 1.00 0.00 H new ATOM 0 H1' G A 6 38.871 28.177 27.117 1.00 0.00 H new ATOM 0 H8 G A 6 37.177 31.540 26.346 1.00 0.00 H new ATOM 0 H1 G A 6 37.035 27.231 21.597 1.00 0.00 H new ATOM 0 H21 G A 6 39.137 25.365 23.667 1.00 0.00 H new ATOM 0 H22 G A 6 38.261 25.467 22.136 1.00 0.00 H new HETATM 201 P H2U A 7 42.528 32.183 27.300 1.00 0.00 P HETATM 202 OP1 H2U A 7 43.583 32.736 28.178 1.00 0.00 O HETATM 203 OP2 H2U A 7 41.866 33.077 26.324 1.00 0.00 O HETATM 204 O5' H2U A 7 43.128 30.916 26.511 1.00 0.00 O HETATM 205 C5' H2U A 7 43.631 31.049 25.178 1.00 0.00 C HETATM 206 C4' H2U A 7 43.181 29.890 24.295 1.00 0.00 C HETATM 207 O4' H2U A 7 41.754 29.833 24.219 1.00 0.00 O HETATM 208 C3' H2U A 7 43.735 30.033 22.882 1.00 0.00 C HETATM 209 O3' H2U A 7 44.107 28.762 22.341 1.00 0.00 O HETATM 210 C1' H2U A 7 41.364 30.065 22.863 1.00 0.00 C HETATM 211 C2' H2U A 7 42.563 30.647 22.122 1.00 0.00 C HETATM 212 O2' H2U A 7 42.570 30.277 20.742 1.00 0.00 O HETATM 213 N1 H2U A 7 40.216 30.991 22.810 1.00 0.00 N HETATM 214 C2 H2U A 7 39.252 30.761 21.845 1.00 0.00 C HETATM 215 O2 H2U A 7 39.237 29.733 21.171 1.00 0.00 O HETATM 216 N3 H2U A 7 38.334 31.780 21.641 1.00 0.00 N HETATM 217 C4 H2U A 7 38.344 33.001 22.302 1.00 0.00 C HETATM 218 O4 H2U A 7 37.407 33.791 22.212 1.00 0.00 O HETATM 219 C5 H2U A 7 39.565 33.352 23.113 1.00 0.00 C HETATM 220 C6 H2U A 7 40.104 32.087 23.773 1.00 0.00 C HETATM 0 HO2' H2U A 7 41.804 30.688 20.289 1.00 0.00 H new HETATM 0 H5'' H2U A 7 43.286 31.990 24.750 1.00 0.00 H new HETATM 0 HN3 H2U A 7 37.597 31.621 20.954 1.00 0.00 H new HETATM 0 H62 H2U A 7 39.445 31.791 24.589 1.00 0.00 H new HETATM 0 H61 H2U A 7 41.081 32.291 24.211 1.00 0.00 H new HETATM 0 H52 H2U A 7 40.327 33.796 22.473 1.00 0.00 H new HETATM 0 H51 H2U A 7 39.313 34.094 23.871 1.00 0.00 H new HETATM 0 H5' H2U A 7 44.720 31.089 25.201 1.00 0.00 H new HETATM 0 H4' H2U A 7 43.563 28.974 24.746 1.00 0.00 H new HETATM 0 H3' H2U A 7 44.641 30.636 22.829 1.00 0.00 H new HETATM 0 H2' H2U A 7 42.577 31.737 22.103 1.00 0.00 H new HETATM 0 H1' H2U A 7 41.054 29.132 22.393 1.00 0.00 H new ATOM 233 P G A 8 45.013 28.665 21.014 1.00 0.00 P ATOM 234 OP1 G A 8 45.632 29.986 20.760 1.00 0.00 O ATOM 235 OP2 G A 8 44.197 28.040 19.949 1.00 0.00 O ATOM 236 O5' G A 8 46.168 27.629 21.442 1.00 0.00 O ATOM 237 C5' G A 8 45.837 26.318 21.908 1.00 0.00 C ATOM 238 C4' G A 8 46.348 26.067 23.323 1.00 0.00 C ATOM 239 O4' G A 8 45.751 26.983 24.245 1.00 0.00 O ATOM 240 C3' G A 8 46.000 24.650 23.771 1.00 0.00 C ATOM 241 O3' G A 8 47.039 23.728 23.436 1.00 0.00 O ATOM 242 C2' G A 8 45.851 24.823 25.278 1.00 0.00 C ATOM 243 O2' G A 8 47.108 24.667 25.943 1.00 0.00 O ATOM 244 C1' G A 8 45.330 26.251 25.399 1.00 0.00 C ATOM 245 N9 G A 8 43.860 26.266 25.529 1.00 0.00 N ATOM 246 C8 G A 8 42.908 26.502 24.571 1.00 0.00 C ATOM 247 N7 G A 8 41.679 26.424 24.998 1.00 0.00 N ATOM 248 C5 G A 8 41.829 26.109 26.344 1.00 0.00 C ATOM 249 C6 G A 8 40.833 25.894 27.332 1.00 0.00 C ATOM 250 O6 G A 8 39.610 25.952 27.217 1.00 0.00 O ATOM 251 N1 G A 8 41.393 25.598 28.566 1.00 0.00 N ATOM 252 C2 G A 8 42.749 25.518 28.819 1.00 0.00 C ATOM 253 N2 G A 8 43.098 25.206 30.066 1.00 0.00 N ATOM 254 N3 G A 8 43.690 25.722 27.889 1.00 0.00 N ATOM 255 C4 G A 8 43.154 26.013 26.680 1.00 0.00 C ATOM 0 H5' G A 8 46.262 25.575 21.232 1.00 0.00 H new ATOM 0 H5'' G A 8 44.755 26.188 21.885 1.00 0.00 H new ATOM 0 H4' G A 8 47.429 26.203 23.311 1.00 0.00 H new ATOM 0 H3' G A 8 45.111 24.239 23.293 1.00 0.00 H new ATOM 0 H2' G A 8 45.194 24.084 25.738 1.00 0.00 H new ATOM 0 HO2' G A 8 47.342 23.716 25.981 1.00 0.00 H new ATOM 0 H1' G A 8 45.735 26.717 26.297 1.00 0.00 H new ATOM 0 H8 G A 8 43.156 26.734 23.546 1.00 0.00 H new ATOM 0 H1 G A 8 40.757 25.427 29.344 1.00 0.00 H new ATOM 0 H21 G A 8 44.084 25.131 30.316 1.00 0.00 H new ATOM 0 H22 G A 8 42.379 25.042 30.771 1.00 0.00 H new ATOM 267 P G A 9 46.900 22.153 23.739 1.00 0.00 P ATOM 268 OP1 G A 9 46.554 21.980 25.168 1.00 0.00 O ATOM 269 OP2 G A 9 48.100 21.476 23.198 1.00 0.00 O ATOM 270 O5' G A 9 45.634 21.737 22.836 1.00 0.00 O ATOM 271 C5' G A 9 44.331 21.620 23.415 1.00 0.00 C ATOM 272 C4' G A 9 44.056 20.200 23.899 1.00 0.00 C ATOM 273 O4' G A 9 44.949 19.856 24.962 1.00 0.00 O ATOM 274 C3' G A 9 42.615 20.080 24.384 1.00 0.00 C ATOM 275 O3' G A 9 41.816 19.305 23.486 1.00 0.00 O ATOM 276 C2' G A 9 42.737 19.396 25.742 1.00 0.00 C ATOM 277 O2' G A 9 42.476 17.992 25.669 1.00 0.00 O ATOM 278 C1' G A 9 44.182 19.659 26.151 1.00 0.00 C ATOM 279 N9 G A 9 44.269 20.837 27.036 1.00 0.00 N ATOM 280 C8 G A 9 43.565 22.012 26.972 1.00 0.00 C ATOM 281 N7 G A 9 43.877 22.884 27.891 1.00 0.00 N ATOM 282 C5 G A 9 44.869 22.236 28.621 1.00 0.00 C ATOM 283 C6 G A 9 45.598 22.692 29.750 1.00 0.00 C ATOM 284 O6 G A 9 45.483 23.757 30.351 1.00 0.00 O ATOM 285 N1 G A 9 46.513 21.744 30.185 1.00 0.00 N ATOM 286 C2 G A 9 46.697 20.502 29.609 1.00 0.00 C ATOM 287 N2 G A 9 47.623 19.717 30.160 1.00 0.00 N ATOM 288 N3 G A 9 46.004 20.070 28.548 1.00 0.00 N ATOM 289 C4 G A 9 45.113 20.989 28.109 1.00 0.00 C ATOM 0 H5' G A 9 43.579 21.906 22.680 1.00 0.00 H new ATOM 0 H5'' G A 9 44.240 22.314 24.251 1.00 0.00 H new ATOM 0 H4' G A 9 44.213 19.515 23.066 1.00 0.00 H new ATOM 0 H3' G A 9 42.119 21.049 24.443 1.00 0.00 H new ATOM 0 H2' G A 9 42.009 19.779 26.457 1.00 0.00 H new ATOM 0 HO2' G A 9 41.696 17.775 26.221 1.00 0.00 H new ATOM 0 H1' G A 9 44.574 18.809 26.709 1.00 0.00 H new ATOM 0 H8 G A 9 42.812 22.201 26.221 1.00 0.00 H new ATOM 0 H1 G A 9 47.093 21.982 30.990 1.00 0.00 H new ATOM 0 H21 G A 9 47.800 18.789 29.775 1.00 0.00 H new ATOM 0 H22 G A 9 48.154 20.044 30.967 1.00 0.00 H new ATOM 301 P A A 10 41.465 19.853 22.014 1.00 0.00 P ATOM 302 OP1 A A 10 42.697 19.768 21.197 1.00 0.00 O ATOM 303 OP2 A A 10 40.775 21.156 22.142 1.00 0.00 O ATOM 304 O5' A A 10 40.410 18.757 21.486 1.00 0.00 O ATOM 305 C5' A A 10 39.097 18.679 22.046 1.00 0.00 C ATOM 306 C4' A A 10 38.940 17.490 22.988 1.00 0.00 C ATOM 307 O4' A A 10 39.949 17.507 24.001 1.00 0.00 O ATOM 308 C3' A A 10 37.569 17.504 23.655 1.00 0.00 C ATOM 309 O3' A A 10 36.646 16.647 22.976 1.00 0.00 O ATOM 310 C2' A A 10 37.857 16.988 25.060 1.00 0.00 C ATOM 311 O2' A A 10 37.605 15.583 25.148 1.00 0.00 O ATOM 312 C1' A A 10 39.330 17.318 25.277 1.00 0.00 C ATOM 313 N9 A A 10 39.488 18.526 26.109 1.00 0.00 N ATOM 314 C8 A A 10 39.866 18.627 27.423 1.00 0.00 C ATOM 315 N7 A A 10 39.920 19.848 27.880 1.00 0.00 N ATOM 316 C5 A A 10 39.547 20.612 26.779 1.00 0.00 C ATOM 317 C6 A A 10 39.401 21.996 26.593 1.00 0.00 C ATOM 318 N6 A A 10 39.623 22.890 27.556 1.00 0.00 N ATOM 319 N1 A A 10 39.017 22.415 25.380 1.00 0.00 N ATOM 320 C2 A A 10 38.783 21.544 24.409 1.00 0.00 C ATOM 321 N3 A A 10 38.888 20.225 24.464 1.00 0.00 N ATOM 322 C4 A A 10 39.277 19.819 25.696 1.00 0.00 C ATOM 0 H5' A A 10 38.365 18.602 21.242 1.00 0.00 H new ATOM 0 H5'' A A 10 38.880 19.600 22.587 1.00 0.00 H new ATOM 0 H4' A A 10 39.042 16.584 22.390 1.00 0.00 H new ATOM 0 H3' A A 10 37.107 18.491 23.645 1.00 0.00 H new ATOM 0 H2' A A 10 37.221 17.441 25.820 1.00 0.00 H new ATOM 0 HO2' A A 10 36.640 15.420 25.096 1.00 0.00 H new ATOM 0 H1' A A 10 39.809 16.493 25.805 1.00 0.00 H new ATOM 0 H8 A A 10 40.100 17.766 28.031 1.00 0.00 H new ATOM 0 H61 A A 10 39.502 23.885 27.366 1.00 0.00 H new ATOM 0 H62 A A 10 39.914 22.579 28.483 1.00 0.00 H new ATOM 0 H2 A A 10 38.470 21.958 23.462 1.00 0.00 H new ATOM 334 P A A 11 35.073 16.704 23.313 1.00 0.00 P ATOM 335 OP1 A A 11 34.390 15.640 22.545 1.00 0.00 O ATOM 336 OP2 A A 11 34.611 18.102 23.162 1.00 0.00 O ATOM 337 O5' A A 11 35.035 16.309 24.873 1.00 0.00 O ATOM 338 C5' A A 11 34.164 16.991 25.779 1.00 0.00 C ATOM 339 C4' A A 11 34.858 17.368 27.083 1.00 0.00 C ATOM 340 O4' A A 11 36.118 17.991 26.817 1.00 0.00 O ATOM 341 C3' A A 11 33.986 18.321 27.892 1.00 0.00 C ATOM 342 O3' A A 11 33.284 17.640 28.935 1.00 0.00 O ATOM 343 C2' A A 11 34.989 19.329 28.444 1.00 0.00 C ATOM 344 O2' A A 11 35.477 18.944 29.732 1.00 0.00 O ATOM 345 C1' A A 11 36.113 19.290 27.414 1.00 0.00 C ATOM 346 N9 A A 11 35.932 20.324 26.377 1.00 0.00 N ATOM 347 C8 A A 11 35.533 20.175 25.074 1.00 0.00 C ATOM 348 N7 A A 11 35.472 21.287 24.396 1.00 0.00 N ATOM 349 C5 A A 11 35.864 22.244 25.325 1.00 0.00 C ATOM 350 C6 A A 11 36.011 23.638 25.248 1.00 0.00 C ATOM 351 N6 A A 11 35.772 24.331 24.136 1.00 0.00 N ATOM 352 N1 A A 11 36.415 24.272 26.356 1.00 0.00 N ATOM 353 C2 A A 11 36.658 23.602 27.472 1.00 0.00 C ATOM 354 N3 A A 11 36.553 22.297 27.667 1.00 0.00 N ATOM 355 C4 A A 11 36.147 21.671 26.537 1.00 0.00 C ATOM 0 H5' A A 11 33.305 16.357 25.998 1.00 0.00 H new ATOM 0 H5'' A A 11 33.781 17.893 25.301 1.00 0.00 H new ATOM 0 H4' A A 11 35.022 16.455 27.656 1.00 0.00 H new ATOM 0 H3' A A 11 33.202 18.789 27.297 1.00 0.00 H new ATOM 0 H2' A A 11 34.554 20.318 28.585 1.00 0.00 H new ATOM 0 HO2' A A 11 35.083 18.084 29.987 1.00 0.00 H new ATOM 0 H1' A A 11 37.063 19.492 27.908 1.00 0.00 H new ATOM 0 H8 A A 11 35.289 19.215 24.644 1.00 0.00 H new ATOM 0 H61 A A 11 35.893 25.344 24.130 1.00 0.00 H new ATOM 0 H62 A A 11 35.468 23.849 23.290 1.00 0.00 H new ATOM 0 H2 A A 11 36.979 24.188 28.321 1.00 0.00 H new ATOM 367 P C A 12 31.829 18.130 29.422 1.00 0.00 P ATOM 368 OP1 C A 12 31.383 17.226 30.505 1.00 0.00 O ATOM 369 OP2 C A 12 30.960 18.317 28.238 1.00 0.00 O ATOM 370 O5' C A 12 32.149 19.578 30.048 1.00 0.00 O ATOM 371 C5' C A 12 32.943 19.696 31.231 1.00 0.00 C ATOM 372 C4' C A 12 32.892 21.100 31.827 1.00 0.00 C ATOM 373 O4' C A 12 33.365 22.077 30.896 1.00 0.00 O ATOM 374 C3' C A 12 31.462 21.478 32.199 1.00 0.00 C ATOM 375 O3' C A 12 31.122 21.033 33.515 1.00 0.00 O ATOM 376 C2' C A 12 31.504 22.999 32.092 1.00 0.00 C ATOM 377 O2' C A 12 31.952 23.611 33.304 1.00 0.00 O ATOM 378 C1' C A 12 32.509 23.220 30.967 1.00 0.00 C ATOM 379 N1 C A 12 31.822 23.449 29.682 1.00 0.00 N ATOM 380 C2 C A 12 31.607 24.759 29.291 1.00 0.00 C ATOM 381 O2 C A 12 31.978 25.686 30.008 1.00 0.00 O ATOM 382 N3 C A 12 30.969 24.993 28.116 1.00 0.00 N ATOM 383 C4 C A 12 30.545 23.982 27.347 1.00 0.00 C ATOM 384 N4 C A 12 29.889 24.261 26.220 1.00 0.00 N ATOM 385 C5 C A 12 30.763 22.622 27.743 1.00 0.00 C ATOM 386 C6 C A 12 31.402 22.404 28.911 1.00 0.00 C ATOM 0 H5' C A 12 33.977 19.440 30.999 1.00 0.00 H new ATOM 0 H5'' C A 12 32.595 18.976 31.972 1.00 0.00 H new ATOM 0 H4' C A 12 33.528 21.088 32.712 1.00 0.00 H new ATOM 0 H3' C A 12 30.702 21.020 31.566 1.00 0.00 H new ATOM 0 H2' C A 12 30.524 23.439 31.905 1.00 0.00 H new ATOM 0 HO2' C A 12 31.986 22.939 34.017 1.00 0.00 H new ATOM 0 H1' C A 12 33.103 24.110 31.173 1.00 0.00 H new ATOM 0 H41 C A 12 29.558 23.504 25.622 1.00 0.00 H new ATOM 0 H42 C A 12 29.718 25.231 25.956 1.00 0.00 H new ATOM 0 H5 C A 12 30.427 21.800 27.128 1.00 0.00 H new ATOM 0 H6 C A 12 31.583 21.391 29.240 1.00 0.00 H new ATOM 398 P U A 13 29.598 20.683 33.896 1.00 0.00 P ATOM 399 OP1 U A 13 29.563 20.182 35.288 1.00 0.00 O ATOM 400 OP2 U A 13 29.021 19.850 32.816 1.00 0.00 O ATOM 401 O5' U A 13 28.899 22.132 33.843 1.00 0.00 O ATOM 402 C5' U A 13 29.062 23.067 34.914 1.00 0.00 C ATOM 403 C4' U A 13 28.444 24.423 34.597 1.00 0.00 C ATOM 404 O4' U A 13 29.077 25.019 33.460 1.00 0.00 O ATOM 405 C3' U A 13 26.956 24.304 34.283 1.00 0.00 C ATOM 406 O3' U A 13 26.157 24.348 35.468 1.00 0.00 O ATOM 407 C2' U A 13 26.727 25.528 33.402 1.00 0.00 C ATOM 408 O2' U A 13 26.381 26.675 34.183 1.00 0.00 O ATOM 409 C1' U A 13 28.073 25.705 32.708 1.00 0.00 C ATOM 410 N1 U A 13 28.002 25.187 31.328 1.00 0.00 N ATOM 411 C2 U A 13 27.883 26.119 30.313 1.00 0.00 C ATOM 412 O2 U A 13 27.870 27.329 30.530 1.00 0.00 O ATOM 413 N3 U A 13 27.767 25.604 29.030 1.00 0.00 N ATOM 414 C4 U A 13 27.762 24.259 28.687 1.00 0.00 C ATOM 415 O4 U A 13 27.608 23.915 27.517 1.00 0.00 O ATOM 416 C5 U A 13 27.902 23.368 29.814 1.00 0.00 C ATOM 417 C6 U A 13 28.010 23.847 31.071 1.00 0.00 C ATOM 0 H5' U A 13 30.124 23.194 35.124 1.00 0.00 H new ATOM 0 H5'' U A 13 28.605 22.664 35.818 1.00 0.00 H new ATOM 0 H4' U A 13 28.587 25.041 35.484 1.00 0.00 H new ATOM 0 H3' U A 13 26.680 23.361 33.810 1.00 0.00 H new ATOM 0 H2' U A 13 25.900 25.407 32.703 1.00 0.00 H new ATOM 0 HO2' U A 13 26.241 27.444 33.591 1.00 0.00 H new ATOM 0 H1' U A 13 28.329 26.763 32.657 1.00 0.00 H new ATOM 0 H3 U A 13 27.677 26.276 28.268 1.00 0.00 H new ATOM 0 H5 U A 13 27.921 22.301 29.649 1.00 0.00 H new ATOM 0 H6 U A 13 28.105 23.153 31.893 1.00 0.00 H new ATOM 428 P C A 14 24.673 23.722 35.463 1.00 0.00 P ATOM 429 OP1 C A 14 24.030 24.020 36.763 1.00 0.00 O ATOM 430 OP2 C A 14 24.745 22.317 35.002 1.00 0.00 O ATOM 431 O5' C A 14 23.944 24.590 34.319 1.00 0.00 O ATOM 432 C5' C A 14 23.607 25.959 34.553 1.00 0.00 C ATOM 433 C4' C A 14 23.141 26.670 33.287 1.00 0.00 C ATOM 434 O4' C A 14 24.155 26.663 32.277 1.00 0.00 O ATOM 435 C3' C A 14 21.918 25.986 32.686 1.00 0.00 C ATOM 436 O3' C A 14 20.701 26.415 33.304 1.00 0.00 O ATOM 437 C2' C A 14 22.003 26.443 31.235 1.00 0.00 C ATOM 438 O2' C A 14 21.348 27.701 31.050 1.00 0.00 O ATOM 439 C1' C A 14 23.507 26.547 31.007 1.00 0.00 C ATOM 440 N1 C A 14 23.985 25.372 30.253 1.00 0.00 N ATOM 441 C2 C A 14 24.276 25.553 28.913 1.00 0.00 C ATOM 442 O2 C A 14 24.172 26.669 28.411 1.00 0.00 O ATOM 443 N3 C A 14 24.674 24.478 28.183 1.00 0.00 N ATOM 444 C4 C A 14 24.792 23.268 28.744 1.00 0.00 C ATOM 445 N4 C A 14 25.183 22.236 27.998 1.00 0.00 N ATOM 446 C5 C A 14 24.495 23.073 30.133 1.00 0.00 C ATOM 447 C6 C A 14 24.096 24.148 30.846 1.00 0.00 C ATOM 0 H5' C A 14 24.474 26.479 34.960 1.00 0.00 H new ATOM 0 H5'' C A 14 22.821 26.013 35.306 1.00 0.00 H new ATOM 0 H4' C A 14 22.906 27.691 33.586 1.00 0.00 H new ATOM 0 H3' C A 14 21.910 24.904 32.816 1.00 0.00 H new ATOM 0 H2' C A 14 21.511 25.769 30.534 1.00 0.00 H new ATOM 0 HO2' C A 14 21.418 27.971 30.111 1.00 0.00 H new ATOM 0 H1' C A 14 23.743 27.430 30.413 1.00 0.00 H new ATOM 0 H41 C A 14 25.276 21.310 28.416 1.00 0.00 H new ATOM 0 H42 C A 14 25.390 22.371 27.008 1.00 0.00 H new ATOM 0 H5 C A 14 24.587 22.100 30.593 1.00 0.00 H new ATOM 0 H6 C A 14 23.863 24.038 31.895 1.00 0.00 H new ATOM 459 P C A 15 19.360 25.534 33.170 1.00 0.00 P ATOM 460 OP1 C A 15 18.394 26.029 34.176 1.00 0.00 O ATOM 461 OP2 C A 15 19.724 24.100 33.163 1.00 0.00 O ATOM 462 O5' C A 15 18.836 25.937 31.702 1.00 0.00 O ATOM 463 C5' C A 15 18.228 27.211 31.472 1.00 0.00 C ATOM 464 C4' C A 15 17.581 27.303 30.094 1.00 0.00 C ATOM 465 O4' C A 15 18.569 27.272 29.061 1.00 0.00 O ATOM 466 C3' C A 15 16.619 26.142 29.864 1.00 0.00 C ATOM 467 O3' C A 15 15.299 26.456 30.316 1.00 0.00 O ATOM 468 C2' C A 15 16.681 25.984 28.349 1.00 0.00 C ATOM 469 O2' C A 15 15.759 26.860 27.696 1.00 0.00 O ATOM 470 C1' C A 15 18.119 26.382 28.036 1.00 0.00 C ATOM 471 N1 C A 15 18.990 25.193 27.969 1.00 0.00 N ATOM 472 C2 C A 15 19.200 24.608 26.734 1.00 0.00 C ATOM 473 O2 C A 15 18.640 25.051 25.733 1.00 0.00 O ATOM 474 N3 C A 15 20.015 23.525 26.656 1.00 0.00 N ATOM 475 C4 C A 15 20.606 23.033 27.754 1.00 0.00 C ATOM 476 N4 C A 15 21.404 21.972 27.646 1.00 0.00 N ATOM 477 C5 C A 15 20.392 23.630 29.039 1.00 0.00 C ATOM 478 C6 C A 15 19.576 24.703 29.101 1.00 0.00 C ATOM 0 H5' C A 15 18.981 27.993 31.571 1.00 0.00 H new ATOM 0 H5'' C A 15 17.475 27.395 32.238 1.00 0.00 H new ATOM 0 H4' C A 15 17.038 28.248 30.060 1.00 0.00 H new ATOM 0 H3' C A 15 16.879 25.235 30.409 1.00 0.00 H new ATOM 0 H2' C A 15 16.417 24.983 28.009 1.00 0.00 H new ATOM 0 HO2' C A 15 15.064 27.135 28.330 1.00 0.00 H new ATOM 0 HO3' C A 15 14.707 25.692 30.153 1.00 0.00 H new ATOM 0 H1' C A 15 18.161 26.875 27.065 1.00 0.00 H new ATOM 0 H41 C A 15 21.859 21.589 28.475 1.00 0.00 H new ATOM 0 H42 C A 15 21.560 21.542 26.734 1.00 0.00 H new ATOM 0 H5 C A 15 20.866 23.236 29.925 1.00 0.00 H new ATOM 0 H6 C A 15 19.385 25.177 30.052 1.00 0.00 H new TER 491 C A 15