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 -12:sc= 0.119 USER MOD Single : A 1 G O5' : rot 180:sc= -0.922 USER MOD Single : A 2 G O2' : rot -112:sc= 0.432 USER MOD Single : A 3 A O2' : rot -18:sc= -1.65! USER MOD Single : A 4 G O2' : rot -67:sc= 0.95 USER MOD Single : A 5 A O2' : rot -29:sc= 0.113 USER MOD Single : A 6 G O2' : rot -138:sc= 1.47 USER MOD Single : A 7 H2U O2' : rot 143:sc= -1.6! USER MOD Single : A 8 G O2' : rot -29:sc= 0.212 USER MOD Single : A 9 G O2' : rot -47:sc= 0.874 USER MOD Single : A 10 A O2' : rot -15:sc= -0.572 USER MOD Single : A 11 A O2' : rot -146:sc= -1.43! USER MOD Single : A 12 C O2' : rot -27:sc= 0.136 USER MOD Single : A 13 U O2' : rot 180:sc= -0.268 USER MOD Single : A 14 C O2' : rot 180:sc= -0.0457 USER MOD Single : A 15 C O2' : rot -23:sc= 0.167 USER MOD Single : A 15 C O3' : rot 180:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 24.400 17.750 19.336 1.00 0.00 O ATOM 2 C5' G A 1 23.792 17.844 18.046 1.00 0.00 C ATOM 3 C4' G A 1 22.906 19.078 17.909 1.00 0.00 C ATOM 4 O4' G A 1 21.841 19.065 18.864 1.00 0.00 O ATOM 5 C3' G A 1 23.723 20.346 18.134 1.00 0.00 C ATOM 6 O3' G A 1 24.309 20.821 16.919 1.00 0.00 O ATOM 7 C2' G A 1 22.661 21.300 18.670 1.00 0.00 C ATOM 8 O2' G A 1 21.940 21.930 17.608 1.00 0.00 O ATOM 9 C1' G A 1 21.775 20.356 19.474 1.00 0.00 C ATOM 10 N9 G A 1 22.230 20.284 20.875 1.00 0.00 N ATOM 11 C8 G A 1 22.993 19.323 21.487 1.00 0.00 C ATOM 12 N7 G A 1 23.229 19.548 22.750 1.00 0.00 N ATOM 13 C5 G A 1 22.573 20.751 22.992 1.00 0.00 C ATOM 14 C6 G A 1 22.475 21.499 24.194 1.00 0.00 C ATOM 15 O6 G A 1 22.970 21.251 25.292 1.00 0.00 O ATOM 16 N1 G A 1 21.719 22.649 24.018 1.00 0.00 N ATOM 17 C2 G A 1 21.136 23.041 22.829 1.00 0.00 C ATOM 18 N2 G A 1 20.446 24.181 22.851 1.00 0.00 N ATOM 19 N3 G A 1 21.230 22.338 21.693 1.00 0.00 N ATOM 20 C4 G A 1 21.960 21.208 21.856 1.00 0.00 C ATOM 0 H5' G A 1 23.196 16.950 17.862 1.00 0.00 H new ATOM 0 H5'' G A 1 24.569 17.872 17.282 1.00 0.00 H new ATOM 0 H4' G A 1 22.492 19.063 16.901 1.00 0.00 H new ATOM 0 H3' G A 1 24.574 20.215 18.802 1.00 0.00 H new ATOM 0 H2' G A 1 23.062 22.129 19.254 1.00 0.00 H new ATOM 0 HO2' G A 1 22.401 21.768 16.759 1.00 0.00 H new ATOM 0 HO5' G A 1 24.956 16.944 19.378 1.00 0.00 H new ATOM 0 H1' G A 1 20.748 20.721 19.479 1.00 0.00 H new ATOM 0 H8 G A 1 23.367 18.453 20.967 1.00 0.00 H new ATOM 0 H1 G A 1 21.583 23.252 24.830 1.00 0.00 H new ATOM 0 H21 G A 1 19.994 24.520 22.002 1.00 0.00 H new ATOM 0 H22 G A 1 20.370 24.715 23.717 1.00 0.00 H new ATOM 33 P G A 2 25.693 21.643 16.934 1.00 0.00 P ATOM 34 OP1 G A 2 26.028 22.021 15.543 1.00 0.00 O ATOM 35 OP2 G A 2 26.682 20.887 17.735 1.00 0.00 O ATOM 36 O5' G A 2 25.301 22.976 17.748 1.00 0.00 O ATOM 37 C5' G A 2 24.451 23.971 17.173 1.00 0.00 C ATOM 38 C4' G A 2 23.789 24.844 18.234 1.00 0.00 C ATOM 39 O4' G A 2 23.190 24.033 19.248 1.00 0.00 O ATOM 40 C3' G A 2 24.801 25.761 18.912 1.00 0.00 C ATOM 41 O3' G A 2 24.957 27.002 18.219 1.00 0.00 O ATOM 42 C2' G A 2 24.165 25.973 20.283 1.00 0.00 C ATOM 43 O2' G A 2 23.302 27.113 20.293 1.00 0.00 O ATOM 44 C1' G A 2 23.400 24.674 20.509 1.00 0.00 C ATOM 45 N9 G A 2 24.154 23.809 21.434 1.00 0.00 N ATOM 46 C8 G A 2 24.768 22.604 21.207 1.00 0.00 C ATOM 47 N7 G A 2 25.374 22.108 22.249 1.00 0.00 N ATOM 48 C5 G A 2 25.154 23.058 23.241 1.00 0.00 C ATOM 49 C6 G A 2 25.578 23.071 24.595 1.00 0.00 C ATOM 50 O6 G A 2 26.238 22.234 25.205 1.00 0.00 O ATOM 51 N1 G A 2 25.146 24.213 25.255 1.00 0.00 N ATOM 52 C2 G A 2 24.394 25.220 24.684 1.00 0.00 C ATOM 53 N2 G A 2 24.062 26.238 25.477 1.00 0.00 N ATOM 54 N3 G A 2 23.991 25.209 23.407 1.00 0.00 N ATOM 55 C4 G A 2 24.410 24.100 22.753 1.00 0.00 C ATOM 0 H5' G A 2 23.682 23.486 16.572 1.00 0.00 H new ATOM 0 H5'' G A 2 25.034 24.599 16.499 1.00 0.00 H new ATOM 0 H4' G A 2 23.034 25.443 17.724 1.00 0.00 H new ATOM 0 H3' G A 2 25.806 25.341 18.944 1.00 0.00 H new ATOM 0 H2' G A 2 24.893 26.178 21.068 1.00 0.00 H new ATOM 0 HO2' G A 2 23.688 27.810 20.863 1.00 0.00 H new ATOM 0 H1' G A 2 22.429 24.879 20.960 1.00 0.00 H new ATOM 0 H8 G A 2 24.751 22.109 20.247 1.00 0.00 H new ATOM 0 H1 G A 2 25.404 24.316 26.237 1.00 0.00 H new ATOM 0 H21 G A 2 23.507 27.011 25.109 1.00 0.00 H new ATOM 0 H22 G A 2 24.363 26.244 26.452 1.00 0.00 H new ATOM 67 P A A 3 26.245 27.930 18.490 1.00 0.00 P ATOM 68 OP1 A A 3 26.380 28.869 17.355 1.00 0.00 O ATOM 69 OP2 A A 3 27.385 27.049 18.832 1.00 0.00 O ATOM 70 O5' A A 3 25.815 28.755 19.804 1.00 0.00 O ATOM 71 C5' A A 3 25.017 29.936 19.694 1.00 0.00 C ATOM 72 C4' A A 3 24.636 30.522 21.049 1.00 0.00 C ATOM 73 O4' A A 3 24.024 29.541 21.891 1.00 0.00 O ATOM 74 C3' A A 3 25.861 31.061 21.782 1.00 0.00 C ATOM 75 O3' A A 3 26.148 32.415 21.420 1.00 0.00 O ATOM 76 C2' A A 3 25.398 30.958 23.231 1.00 0.00 C ATOM 77 O2' A A 3 24.561 32.066 23.579 1.00 0.00 O ATOM 78 C1' A A 3 24.629 29.642 23.182 1.00 0.00 C ATOM 79 N9 A A 3 25.566 28.526 23.413 1.00 0.00 N ATOM 80 C8 A A 3 26.083 27.616 22.527 1.00 0.00 C ATOM 81 N7 A A 3 26.898 26.746 23.054 1.00 0.00 N ATOM 82 C5 A A 3 26.926 27.109 24.396 1.00 0.00 C ATOM 83 C6 A A 3 27.606 26.594 25.511 1.00 0.00 C ATOM 84 N6 A A 3 28.420 25.540 25.436 1.00 0.00 N ATOM 85 N1 A A 3 27.413 27.203 26.687 1.00 0.00 N ATOM 86 C2 A A 3 26.610 28.252 26.781 1.00 0.00 C ATOM 87 N3 A A 3 25.914 28.820 25.807 1.00 0.00 N ATOM 88 C4 A A 3 26.120 28.192 24.626 1.00 0.00 C ATOM 0 H5' A A 3 24.110 29.705 19.136 1.00 0.00 H new ATOM 0 H5'' A A 3 25.563 30.685 19.120 1.00 0.00 H new ATOM 0 H4' A A 3 23.932 31.329 20.846 1.00 0.00 H new ATOM 0 H3' A A 3 26.784 30.525 21.561 1.00 0.00 H new ATOM 0 H2' A A 3 26.191 30.980 23.978 1.00 0.00 H new ATOM 0 HO2' A A 3 24.688 32.788 22.929 1.00 0.00 H new ATOM 0 H1' A A 3 23.858 29.603 23.951 1.00 0.00 H new ATOM 0 H8 A A 3 25.835 27.620 21.476 1.00 0.00 H new ATOM 0 H61 A A 3 28.893 25.201 26.273 1.00 0.00 H new ATOM 0 H62 A A 3 28.569 25.073 24.541 1.00 0.00 H new ATOM 0 H2 A A 3 26.511 28.694 27.761 1.00 0.00 H new ATOM 100 P G A 4 27.595 33.050 21.729 1.00 0.00 P ATOM 101 OP1 G A 4 27.517 34.512 21.516 1.00 0.00 O ATOM 102 OP2 G A 4 28.608 32.270 20.984 1.00 0.00 O ATOM 103 O5' G A 4 27.787 32.758 23.301 1.00 0.00 O ATOM 104 C5' G A 4 27.134 33.569 24.281 1.00 0.00 C ATOM 105 C4' G A 4 27.624 33.281 25.697 1.00 0.00 C ATOM 106 O4' G A 4 27.367 31.927 26.079 1.00 0.00 O ATOM 107 C3' G A 4 29.125 33.520 25.817 1.00 0.00 C ATOM 108 O3' G A 4 29.423 34.886 26.109 1.00 0.00 O ATOM 109 C2' G A 4 29.496 32.598 26.974 1.00 0.00 C ATOM 110 O2' G A 4 29.368 33.263 28.234 1.00 0.00 O ATOM 111 C1' G A 4 28.494 31.459 26.824 1.00 0.00 C ATOM 112 N9 G A 4 29.122 30.307 26.149 1.00 0.00 N ATOM 113 C8 G A 4 29.106 29.973 24.819 1.00 0.00 C ATOM 114 N7 G A 4 29.762 28.884 24.529 1.00 0.00 N ATOM 115 C5 G A 4 30.247 28.463 25.762 1.00 0.00 C ATOM 116 C6 G A 4 31.034 27.327 26.083 1.00 0.00 C ATOM 117 O6 G A 4 31.479 26.468 25.324 1.00 0.00 O ATOM 118 N1 G A 4 31.308 27.261 27.442 1.00 0.00 N ATOM 119 C2 G A 4 30.881 28.177 28.383 1.00 0.00 C ATOM 120 N2 G A 4 31.251 27.951 29.644 1.00 0.00 N ATOM 121 N3 G A 4 30.141 29.251 28.080 1.00 0.00 N ATOM 122 C4 G A 4 29.864 29.324 26.757 1.00 0.00 C ATOM 0 H5' G A 4 26.058 33.399 24.230 1.00 0.00 H new ATOM 0 H5'' G A 4 27.302 34.621 24.048 1.00 0.00 H new ATOM 0 H4' G A 4 27.079 33.959 26.354 1.00 0.00 H new ATOM 0 H3' G A 4 29.678 33.318 24.900 1.00 0.00 H new ATOM 0 H2' G A 4 30.532 32.261 26.949 1.00 0.00 H new ATOM 0 HO2' G A 4 30.041 33.973 28.299 1.00 0.00 H new ATOM 0 H1' G A 4 28.164 31.130 27.809 1.00 0.00 H new ATOM 0 H8 G A 4 28.593 30.563 24.074 1.00 0.00 H new ATOM 0 H1 G A 4 31.868 26.475 27.771 1.00 0.00 H new ATOM 0 H21 G A 4 30.965 28.594 30.382 1.00 0.00 H new ATOM 0 H22 G A 4 31.820 27.135 29.870 1.00 0.00 H new ATOM 134 P A A 5 30.947 35.407 26.110 1.00 0.00 P ATOM 135 OP1 A A 5 30.939 36.887 26.093 1.00 0.00 O ATOM 136 OP2 A A 5 31.699 34.674 25.068 1.00 0.00 O ATOM 137 O5' A A 5 31.460 34.920 27.556 1.00 0.00 O ATOM 138 C5' A A 5 32.816 34.517 27.769 1.00 0.00 C ATOM 139 C4' A A 5 32.999 33.826 29.116 1.00 0.00 C ATOM 140 O4' A A 5 32.138 32.691 29.227 1.00 0.00 O ATOM 141 C3' A A 5 34.437 33.342 29.279 1.00 0.00 C ATOM 142 O3' A A 5 35.266 34.311 29.924 1.00 0.00 O ATOM 143 C2' A A 5 34.249 32.106 30.155 1.00 0.00 C ATOM 144 O2' A A 5 34.135 32.461 31.535 1.00 0.00 O ATOM 145 C1' A A 5 32.933 31.564 29.607 1.00 0.00 C ATOM 146 N9 A A 5 33.175 30.681 28.452 1.00 0.00 N ATOM 147 C8 A A 5 32.828 30.861 27.137 1.00 0.00 C ATOM 148 N7 A A 5 33.187 29.894 26.340 1.00 0.00 N ATOM 149 C5 A A 5 33.831 29.008 27.198 1.00 0.00 C ATOM 150 C6 A A 5 34.456 27.767 26.996 1.00 0.00 C ATOM 151 N6 A A 5 34.525 27.177 25.804 1.00 0.00 N ATOM 152 N1 A A 5 34.988 27.159 28.063 1.00 0.00 N ATOM 153 C2 A A 5 34.923 27.720 29.261 1.00 0.00 C ATOM 154 N3 A A 5 34.359 28.875 29.579 1.00 0.00 N ATOM 155 C4 A A 5 33.827 29.472 28.487 1.00 0.00 C ATOM 0 H5' A A 5 33.467 35.390 27.718 1.00 0.00 H new ATOM 0 H5'' A A 5 33.124 33.842 26.970 1.00 0.00 H new ATOM 0 H4' A A 5 32.756 34.555 29.889 1.00 0.00 H new ATOM 0 H3' A A 5 34.938 33.150 28.330 1.00 0.00 H new ATOM 0 H2' A A 5 35.076 31.397 30.122 1.00 0.00 H new ATOM 0 HO2' A A 5 34.630 33.290 31.701 1.00 0.00 H new ATOM 0 H1' A A 5 32.418 30.969 30.361 1.00 0.00 H new ATOM 0 H8 A A 5 32.299 31.736 26.789 1.00 0.00 H new ATOM 0 H61 A A 5 34.990 26.274 25.708 1.00 0.00 H new ATOM 0 H62 A A 5 34.113 27.628 24.987 1.00 0.00 H new ATOM 0 H2 A A 5 35.382 27.173 30.071 1.00 0.00 H new ATOM 167 P G A 6 36.772 34.543 29.409 1.00 0.00 P ATOM 168 OP1 G A 6 37.504 35.319 30.434 1.00 0.00 O ATOM 169 OP2 G A 6 36.713 35.056 28.021 1.00 0.00 O ATOM 170 O5' G A 6 37.365 33.047 29.372 1.00 0.00 O ATOM 171 C5' G A 6 38.330 32.662 28.389 1.00 0.00 C ATOM 172 C4' G A 6 38.651 31.172 28.446 1.00 0.00 C ATOM 173 O4' G A 6 37.468 30.392 28.249 1.00 0.00 O ATOM 174 C3' G A 6 39.657 30.783 27.368 1.00 0.00 C ATOM 175 O3' G A 6 41.004 30.900 27.835 1.00 0.00 O ATOM 176 C2' G A 6 39.277 29.332 27.093 1.00 0.00 C ATOM 177 O2' G A 6 39.923 28.445 28.010 1.00 0.00 O ATOM 178 C1' G A 6 37.767 29.360 27.305 1.00 0.00 C ATOM 179 N9 G A 6 37.073 29.621 26.031 1.00 0.00 N ATOM 180 C8 G A 6 36.469 30.774 25.600 1.00 0.00 C ATOM 181 N7 G A 6 35.956 30.694 24.404 1.00 0.00 N ATOM 182 C5 G A 6 36.243 29.389 24.015 1.00 0.00 C ATOM 183 C6 G A 6 35.931 28.721 22.802 1.00 0.00 C ATOM 184 O6 G A 6 35.322 29.151 21.826 1.00 0.00 O ATOM 185 N1 G A 6 36.399 27.413 22.805 1.00 0.00 N ATOM 186 C2 G A 6 37.085 26.821 23.847 1.00 0.00 C ATOM 187 N2 G A 6 37.455 25.553 23.671 1.00 0.00 N ATOM 188 N3 G A 6 37.381 27.449 24.992 1.00 0.00 N ATOM 189 C4 G A 6 36.928 28.725 24.998 1.00 0.00 C ATOM 0 H5' G A 6 39.245 33.235 28.538 1.00 0.00 H new ATOM 0 H5'' G A 6 37.955 32.913 27.397 1.00 0.00 H new ATOM 0 H4' G A 6 39.073 30.975 29.431 1.00 0.00 H new ATOM 0 H3' G A 6 39.623 31.420 26.484 1.00 0.00 H new ATOM 0 H2' G A 6 39.574 28.973 26.107 1.00 0.00 H new ATOM 0 HO2' G A 6 40.241 27.652 27.529 1.00 0.00 H new ATOM 0 H1' G A 6 37.427 28.395 27.681 1.00 0.00 H new ATOM 0 H8 G A 6 36.422 31.671 26.200 1.00 0.00 H new ATOM 0 H1 G A 6 36.223 26.847 21.975 1.00 0.00 H new ATOM 0 H21 G A 6 37.965 25.064 24.407 1.00 0.00 H new ATOM 0 H22 G A 6 37.228 25.072 22.801 1.00 0.00 H new HETATM 201 P H2U A 7 42.244 30.509 26.886 1.00 0.00 P HETATM 202 OP1 H2U A 7 42.241 29.040 26.701 1.00 0.00 O HETATM 203 OP2 H2U A 7 43.464 31.164 27.406 1.00 0.00 O HETATM 204 O5' H2U A 7 41.837 31.223 25.503 1.00 0.00 O HETATM 205 C5' H2U A 7 42.593 31.025 24.305 1.00 0.00 C HETATM 206 C4' H2U A 7 42.234 29.717 23.609 1.00 0.00 C HETATM 207 O4' H2U A 7 40.820 29.507 23.634 1.00 0.00 O HETATM 208 C3' H2U A 7 42.686 29.755 22.153 1.00 0.00 C HETATM 209 O3' H2U A 7 43.059 28.458 21.679 1.00 0.00 O HETATM 210 C1' H2U A 7 40.314 29.751 22.319 1.00 0.00 C HETATM 211 C2' H2U A 7 41.443 30.282 21.443 1.00 0.00 C HETATM 212 O2' H2U A 7 41.339 29.794 20.103 1.00 0.00 O HETATM 213 N1 H2U A 7 39.196 30.714 22.369 1.00 0.00 N HETATM 214 C2 H2U A 7 38.217 30.616 21.398 1.00 0.00 C HETATM 215 O2 H2U A 7 38.146 29.664 20.624 1.00 0.00 O HETATM 216 N3 H2U A 7 37.356 31.701 21.301 1.00 0.00 N HETATM 217 C4 H2U A 7 37.436 32.852 22.073 1.00 0.00 C HETATM 218 O4 H2U A 7 36.543 33.697 22.050 1.00 0.00 O HETATM 219 C5 H2U A 7 38.669 33.058 22.914 1.00 0.00 C HETATM 220 C6 H2U A 7 39.140 31.707 23.443 1.00 0.00 C HETATM 0 HO2' H2U A 7 40.398 29.623 19.889 1.00 0.00 H new HETATM 0 H5'' H2U A 7 42.417 31.858 23.624 1.00 0.00 H new HETATM 0 HN3 H2U A 7 36.608 31.648 20.610 1.00 0.00 H new HETATM 0 H62 H2U A 7 38.464 31.363 24.226 1.00 0.00 H new HETATM 0 H61 H2U A 7 40.125 31.813 23.897 1.00 0.00 H new HETATM 0 H52 H2U A 7 39.455 33.525 22.321 1.00 0.00 H new HETATM 0 H51 H2U A 7 38.451 33.732 23.743 1.00 0.00 H new HETATM 0 H5' H2U A 7 43.657 31.028 24.544 1.00 0.00 H new HETATM 0 H4' H2U A 7 42.737 28.907 24.138 1.00 0.00 H new HETATM 0 H3' H2U A 7 43.573 30.366 21.988 1.00 0.00 H new HETATM 0 H2' H2U A 7 41.441 31.367 21.335 1.00 0.00 H new HETATM 0 H1' H2U A 7 39.936 28.821 21.894 1.00 0.00 H new ATOM 233 P G A 8 43.682 28.269 20.208 1.00 0.00 P ATOM 234 OP1 G A 8 44.126 29.588 19.703 1.00 0.00 O ATOM 235 OP2 G A 8 42.752 27.462 19.387 1.00 0.00 O ATOM 236 O5' G A 8 44.991 27.377 20.496 1.00 0.00 O ATOM 237 C5' G A 8 44.880 26.050 21.019 1.00 0.00 C ATOM 238 C4' G A 8 45.843 25.828 22.180 1.00 0.00 C ATOM 239 O4' G A 8 45.608 26.789 23.213 1.00 0.00 O ATOM 240 C3' G A 8 45.677 24.434 22.776 1.00 0.00 C ATOM 241 O3' G A 8 46.588 23.505 22.183 1.00 0.00 O ATOM 242 C2' G A 8 46.004 24.670 24.247 1.00 0.00 C ATOM 243 O2' G A 8 47.405 24.537 24.497 1.00 0.00 O ATOM 244 C1' G A 8 45.529 26.103 24.464 1.00 0.00 C ATOM 245 N9 G A 8 44.151 26.126 24.992 1.00 0.00 N ATOM 246 C8 G A 8 42.968 26.260 24.314 1.00 0.00 C ATOM 247 N7 G A 8 41.904 26.209 25.068 1.00 0.00 N ATOM 248 C5 G A 8 42.428 26.034 26.345 1.00 0.00 C ATOM 249 C6 G A 8 41.752 25.908 27.586 1.00 0.00 C ATOM 250 O6 G A 8 40.542 25.912 27.799 1.00 0.00 O ATOM 251 N1 G A 8 42.640 25.751 28.642 1.00 0.00 N ATOM 252 C2 G A 8 44.015 25.713 28.520 1.00 0.00 C ATOM 253 N2 G A 8 44.705 25.573 29.652 1.00 0.00 N ATOM 254 N3 G A 8 44.654 25.826 27.349 1.00 0.00 N ATOM 255 C4 G A 8 43.796 25.980 26.312 1.00 0.00 C ATOM 0 H5' G A 8 45.087 25.328 20.229 1.00 0.00 H new ATOM 0 H5'' G A 8 43.858 25.873 21.353 1.00 0.00 H new ATOM 0 H4' G A 8 46.854 25.936 21.787 1.00 0.00 H new ATOM 0 H3' G A 8 44.689 24.003 22.613 1.00 0.00 H new ATOM 0 H2' G A 8 45.533 23.952 24.918 1.00 0.00 H new ATOM 0 HO2' G A 8 47.792 23.901 23.860 1.00 0.00 H new ATOM 0 H1' G A 8 46.162 26.598 25.201 1.00 0.00 H new ATOM 0 H8 G A 8 42.920 26.397 23.244 1.00 0.00 H new ATOM 0 H1 G A 8 42.247 25.657 29.578 1.00 0.00 H new ATOM 0 H21 G A 8 45.724 25.538 29.627 1.00 0.00 H new ATOM 0 H22 G A 8 44.214 25.501 30.543 1.00 0.00 H new ATOM 267 P G A 9 46.104 22.491 21.030 1.00 0.00 P ATOM 268 OP1 G A 9 47.301 22.005 20.309 1.00 0.00 O ATOM 269 OP2 G A 9 45.013 23.138 20.267 1.00 0.00 O ATOM 270 O5' G A 9 45.477 21.269 21.871 1.00 0.00 O ATOM 271 C5' G A 9 44.163 21.360 22.427 1.00 0.00 C ATOM 272 C4' G A 9 43.729 20.050 23.074 1.00 0.00 C ATOM 273 O4' G A 9 44.553 19.770 24.208 1.00 0.00 O ATOM 274 C3' G A 9 42.274 20.135 23.524 1.00 0.00 C ATOM 275 O3' G A 9 41.398 19.548 22.559 1.00 0.00 O ATOM 276 C2' G A 9 42.270 19.345 24.828 1.00 0.00 C ATOM 277 O2' G A 9 41.905 17.981 24.603 1.00 0.00 O ATOM 278 C1' G A 9 43.706 19.476 25.322 1.00 0.00 C ATOM 279 N9 G A 9 43.815 20.537 26.342 1.00 0.00 N ATOM 280 C8 G A 9 43.476 21.862 26.248 1.00 0.00 C ATOM 281 N7 G A 9 43.698 22.554 27.330 1.00 0.00 N ATOM 282 C5 G A 9 44.228 21.614 28.208 1.00 0.00 C ATOM 283 C6 G A 9 44.662 21.775 29.549 1.00 0.00 C ATOM 284 O6 G A 9 44.673 22.800 30.226 1.00 0.00 O ATOM 285 N1 G A 9 45.124 20.580 30.084 1.00 0.00 N ATOM 286 C2 G A 9 45.166 19.375 29.412 1.00 0.00 C ATOM 287 N2 G A 9 45.644 18.329 30.088 1.00 0.00 N ATOM 288 N3 G A 9 44.759 19.220 28.146 1.00 0.00 N ATOM 289 C4 G A 9 44.304 20.381 27.616 1.00 0.00 C ATOM 0 H5' G A 9 43.455 21.630 21.644 1.00 0.00 H new ATOM 0 H5'' G A 9 44.137 22.158 23.169 1.00 0.00 H new ATOM 0 H4' G A 9 43.832 19.253 22.338 1.00 0.00 H new ATOM 0 H3' G A 9 41.922 21.160 23.644 1.00 0.00 H new ATOM 0 H2' G A 9 41.544 19.713 25.553 1.00 0.00 H new ATOM 0 HO2' G A 9 41.109 17.945 24.033 1.00 0.00 H new ATOM 0 H1' G A 9 44.015 18.538 25.783 1.00 0.00 H new ATOM 0 H8 G A 9 43.059 22.297 25.351 1.00 0.00 H new ATOM 0 H1 G A 9 45.458 20.594 31.048 1.00 0.00 H new ATOM 0 H21 G A 9 45.698 17.414 29.640 1.00 0.00 H new ATOM 0 H22 G A 9 45.956 18.444 31.052 1.00 0.00 H new ATOM 301 P A A 10 40.434 20.473 21.659 1.00 0.00 P ATOM 302 OP1 A A 10 41.126 20.760 20.383 1.00 0.00 O ATOM 303 OP2 A A 10 39.957 21.604 22.486 1.00 0.00 O ATOM 304 O5' A A 10 39.197 19.489 21.349 1.00 0.00 O ATOM 305 C5' A A 10 38.100 19.347 22.256 1.00 0.00 C ATOM 306 C4' A A 10 38.295 18.187 23.227 1.00 0.00 C ATOM 307 O4' A A 10 39.444 18.418 24.047 1.00 0.00 O ATOM 308 C3' A A 10 37.080 18.033 24.136 1.00 0.00 C ATOM 309 O3' A A 10 36.147 17.079 23.623 1.00 0.00 O ATOM 310 C2' A A 10 37.705 17.550 25.441 1.00 0.00 C ATOM 311 O2' A A 10 37.783 16.123 25.490 1.00 0.00 O ATOM 312 C1' A A 10 39.100 18.165 25.411 1.00 0.00 C ATOM 313 N9 A A 10 39.156 19.404 26.208 1.00 0.00 N ATOM 314 C8 A A 10 39.656 19.596 27.470 1.00 0.00 C ATOM 315 N7 A A 10 39.567 20.821 27.911 1.00 0.00 N ATOM 316 C5 A A 10 38.958 21.493 26.857 1.00 0.00 C ATOM 317 C6 A A 10 38.571 22.829 26.665 1.00 0.00 C ATOM 318 N6 A A 10 38.743 23.778 27.585 1.00 0.00 N ATOM 319 N1 A A 10 37.994 23.150 25.500 1.00 0.00 N ATOM 320 C2 A A 10 37.799 22.228 24.570 1.00 0.00 C ATOM 321 N3 A A 10 38.121 20.945 24.632 1.00 0.00 N ATOM 322 C4 A A 10 38.702 20.640 25.816 1.00 0.00 C ATOM 0 H5' A A 10 37.181 19.193 21.690 1.00 0.00 H new ATOM 0 H5'' A A 10 37.976 20.272 22.819 1.00 0.00 H new ATOM 0 H4' A A 10 38.429 17.280 22.638 1.00 0.00 H new ATOM 0 H3' A A 10 36.504 18.952 24.239 1.00 0.00 H new ATOM 0 H2' A A 10 37.123 17.839 26.316 1.00 0.00 H new ATOM 0 HO2' A A 10 37.210 15.740 24.793 1.00 0.00 H new ATOM 0 H1' A A 10 39.816 17.474 25.855 1.00 0.00 H new ATOM 0 H8 A A 10 40.089 18.797 28.053 1.00 0.00 H new ATOM 0 H61 A A 10 38.443 24.734 27.394 1.00 0.00 H new ATOM 0 H62 A A 10 39.174 23.548 28.480 1.00 0.00 H new ATOM 0 H2 A A 10 37.324 22.560 23.658 1.00 0.00 H new ATOM 334 P A A 11 34.559 17.271 23.801 1.00 0.00 P ATOM 335 OP1 A A 11 33.904 15.949 23.669 1.00 0.00 O ATOM 336 OP2 A A 11 34.110 18.375 22.924 1.00 0.00 O ATOM 337 O5' A A 11 34.421 17.755 25.330 1.00 0.00 O ATOM 338 C5' A A 11 34.767 16.893 26.417 1.00 0.00 C ATOM 339 C4' A A 11 35.014 17.677 27.702 1.00 0.00 C ATOM 340 O4' A A 11 36.050 18.640 27.500 1.00 0.00 O ATOM 341 C3' A A 11 33.751 18.404 28.151 1.00 0.00 C ATOM 342 O3' A A 11 33.002 17.638 29.099 1.00 0.00 O ATOM 343 C2' A A 11 34.313 19.677 28.774 1.00 0.00 C ATOM 344 O2' A A 11 34.638 19.493 30.154 1.00 0.00 O ATOM 345 C1' A A 11 35.569 19.912 27.942 1.00 0.00 C ATOM 346 N9 A A 11 35.274 20.781 26.786 1.00 0.00 N ATOM 347 C8 A A 11 34.921 20.421 25.512 1.00 0.00 C ATOM 348 N7 A A 11 34.701 21.420 24.702 1.00 0.00 N ATOM 349 C5 A A 11 34.920 22.530 25.511 1.00 0.00 C ATOM 350 C6 A A 11 34.856 23.910 25.264 1.00 0.00 C ATOM 351 N6 A A 11 34.535 24.422 24.075 1.00 0.00 N ATOM 352 N1 A A 11 35.134 24.731 26.285 1.00 0.00 N ATOM 353 C2 A A 11 35.461 24.245 27.472 1.00 0.00 C ATOM 354 N3 A A 11 35.554 22.972 27.823 1.00 0.00 N ATOM 355 C4 A A 11 35.268 22.155 26.781 1.00 0.00 C ATOM 0 H5' A A 11 35.661 16.324 26.160 1.00 0.00 H new ATOM 0 H5'' A A 11 33.966 16.172 26.579 1.00 0.00 H new ATOM 0 H4' A A 11 35.310 16.965 28.473 1.00 0.00 H new ATOM 0 H3' A A 11 33.047 18.589 27.339 1.00 0.00 H new ATOM 0 H2' A A 11 33.610 20.510 28.763 1.00 0.00 H new ATOM 0 HO2' A A 11 34.472 20.326 30.643 1.00 0.00 H new ATOM 0 H1' A A 11 36.326 20.413 28.545 1.00 0.00 H new ATOM 0 H8 A A 11 34.832 19.390 25.202 1.00 0.00 H new ATOM 0 H61 A A 11 34.502 25.433 23.947 1.00 0.00 H new ATOM 0 H62 A A 11 34.322 23.802 23.294 1.00 0.00 H new ATOM 0 H2 A A 11 35.677 24.970 28.243 1.00 0.00 H new ATOM 367 P C A 12 31.480 18.013 29.463 1.00 0.00 P ATOM 368 OP1 C A 12 30.923 16.934 30.309 1.00 0.00 O ATOM 369 OP2 C A 12 30.770 18.390 28.220 1.00 0.00 O ATOM 370 O5' C A 12 31.651 19.335 30.366 1.00 0.00 O ATOM 371 C5' C A 12 32.307 19.266 31.635 1.00 0.00 C ATOM 372 C4' C A 12 32.542 20.650 32.233 1.00 0.00 C ATOM 373 O4' C A 12 33.294 21.478 31.342 1.00 0.00 O ATOM 374 C3' C A 12 31.217 21.349 32.514 1.00 0.00 C ATOM 375 O3' C A 12 30.702 21.020 33.807 1.00 0.00 O ATOM 376 C2' C A 12 31.627 22.814 32.416 1.00 0.00 C ATOM 377 O2' C A 12 32.161 23.297 33.651 1.00 0.00 O ATOM 378 C1' C A 12 32.691 22.775 31.324 1.00 0.00 C ATOM 379 N1 C A 12 32.092 23.050 30.004 1.00 0.00 N ATOM 380 C2 C A 12 32.293 24.305 29.459 1.00 0.00 C ATOM 381 O2 C A 12 32.952 25.146 30.067 1.00 0.00 O ATOM 382 N3 C A 12 31.730 24.590 28.256 1.00 0.00 N ATOM 383 C4 C A 12 31.001 23.677 27.602 1.00 0.00 C ATOM 384 N4 C A 12 30.420 24.008 26.450 1.00 0.00 N ATOM 385 C5 C A 12 30.790 22.373 28.160 1.00 0.00 C ATOM 386 C6 C A 12 31.355 22.102 29.355 1.00 0.00 C ATOM 0 H5' C A 12 33.262 18.753 31.522 1.00 0.00 H new ATOM 0 H5'' C A 12 31.705 18.671 32.322 1.00 0.00 H new ATOM 0 H4' C A 12 33.097 20.504 33.160 1.00 0.00 H new ATOM 0 H3' C A 12 30.412 21.067 31.836 1.00 0.00 H new ATOM 0 H2' C A 12 30.797 23.485 32.196 1.00 0.00 H new ATOM 0 HO2' C A 12 31.781 22.784 34.395 1.00 0.00 H new ATOM 0 H1' C A 12 33.444 23.542 31.507 1.00 0.00 H new ATOM 0 H41 C A 12 29.863 23.320 25.944 1.00 0.00 H new ATOM 0 H42 C A 12 30.533 24.950 26.074 1.00 0.00 H new ATOM 0 H5 C A 12 30.199 21.633 27.641 1.00 0.00 H new ATOM 0 H6 C A 12 31.223 21.127 29.801 1.00 0.00 H new ATOM 398 P U A 13 29.120 20.819 34.030 1.00 0.00 P ATOM 399 OP1 U A 13 28.896 20.344 35.413 1.00 0.00 O ATOM 400 OP2 U A 13 28.581 20.028 32.901 1.00 0.00 O ATOM 401 O5' U A 13 28.564 22.326 33.915 1.00 0.00 O ATOM 402 C5' U A 13 28.747 23.244 34.996 1.00 0.00 C ATOM 403 C4' U A 13 28.300 24.661 34.651 1.00 0.00 C ATOM 404 O4' U A 13 29.078 25.205 33.582 1.00 0.00 O ATOM 405 C3' U A 13 26.846 24.676 34.193 1.00 0.00 C ATOM 406 O3' U A 13 25.933 24.723 35.293 1.00 0.00 O ATOM 407 C2' U A 13 26.808 25.950 33.355 1.00 0.00 C ATOM 408 O2' U A 13 26.569 27.104 34.165 1.00 0.00 O ATOM 409 C1' U A 13 28.205 25.966 32.744 1.00 0.00 C ATOM 410 N1 U A 13 28.170 25.419 31.375 1.00 0.00 N ATOM 411 C2 U A 13 28.082 26.319 30.329 1.00 0.00 C ATOM 412 O2 U A 13 28.075 27.537 30.497 1.00 0.00 O ATOM 413 N3 U A 13 28.018 25.764 29.058 1.00 0.00 N ATOM 414 C4 U A 13 28.035 24.411 28.754 1.00 0.00 C ATOM 415 O4 U A 13 27.996 24.028 27.586 1.00 0.00 O ATOM 416 C5 U A 13 28.129 23.553 29.911 1.00 0.00 C ATOM 417 C6 U A 13 28.194 24.072 31.156 1.00 0.00 C ATOM 0 H5' U A 13 29.799 23.259 35.280 1.00 0.00 H new ATOM 0 H5'' U A 13 28.188 22.893 35.863 1.00 0.00 H new ATOM 0 H4' U A 13 28.428 25.254 35.556 1.00 0.00 H new ATOM 0 H3' U A 13 26.543 23.781 33.650 1.00 0.00 H new ATOM 0 H2' U A 13 26.008 25.968 32.615 1.00 0.00 H new ATOM 0 HO2' U A 13 26.552 27.903 33.598 1.00 0.00 H new ATOM 0 H1' U A 13 28.574 26.990 32.678 1.00 0.00 H new ATOM 0 H3 U A 13 27.952 26.413 28.274 1.00 0.00 H new ATOM 0 H5 U A 13 28.148 22.481 29.779 1.00 0.00 H new ATOM 0 H6 U A 13 28.267 23.403 32.001 1.00 0.00 H new ATOM 428 P C A 14 24.479 24.041 35.172 1.00 0.00 P ATOM 429 OP1 C A 14 23.748 24.272 36.438 1.00 0.00 O ATOM 430 OP2 C A 14 24.650 22.654 34.684 1.00 0.00 O ATOM 431 O5' C A 14 23.797 24.920 34.009 1.00 0.00 O ATOM 432 C5' C A 14 23.391 26.270 34.254 1.00 0.00 C ATOM 433 C4' C A 14 22.868 26.964 33.001 1.00 0.00 C ATOM 434 O4' C A 14 23.892 27.064 32.007 1.00 0.00 O ATOM 435 C3' C A 14 21.703 26.188 32.397 1.00 0.00 C ATOM 436 O3' C A 14 20.451 26.576 32.969 1.00 0.00 O ATOM 437 C2' C A 14 21.799 26.576 30.925 1.00 0.00 C ATOM 438 O2' C A 14 21.046 27.758 30.648 1.00 0.00 O ATOM 439 C1' C A 14 23.296 26.803 30.733 1.00 0.00 C ATOM 440 N1 C A 14 23.918 25.633 30.086 1.00 0.00 N ATOM 441 C2 C A 14 24.188 25.731 28.733 1.00 0.00 C ATOM 442 O2 C A 14 23.953 26.781 28.139 1.00 0.00 O ATOM 443 N3 C A 14 24.730 24.662 28.096 1.00 0.00 N ATOM 444 C4 C A 14 25.003 23.531 28.759 1.00 0.00 C ATOM 445 N4 C A 14 25.541 22.507 28.098 1.00 0.00 N ATOM 446 C5 C A 14 24.734 23.422 30.162 1.00 0.00 C ATOM 447 C6 C A 14 24.187 24.490 30.781 1.00 0.00 C ATOM 0 H5' C A 14 24.236 26.833 34.650 1.00 0.00 H new ATOM 0 H5'' C A 14 22.615 26.278 35.020 1.00 0.00 H new ATOM 0 H4' C A 14 22.540 27.959 33.301 1.00 0.00 H new ATOM 0 H3' C A 14 21.753 25.113 32.572 1.00 0.00 H new ATOM 0 H2' C A 14 21.391 25.823 30.251 1.00 0.00 H new ATOM 0 HO2' C A 14 21.127 27.982 29.698 1.00 0.00 H new ATOM 0 H1' C A 14 23.457 27.661 30.081 1.00 0.00 H new ATOM 0 H41 C A 14 25.755 21.639 28.589 1.00 0.00 H new ATOM 0 H42 C A 14 25.739 22.591 27.101 1.00 0.00 H new ATOM 0 H5 C A 14 24.961 22.517 30.706 1.00 0.00 H new ATOM 0 H6 C A 14 23.960 24.439 31.836 1.00 0.00 H new ATOM 459 P C A 15 19.139 25.660 32.782 1.00 0.00 P ATOM 460 OP1 C A 15 18.079 26.167 33.680 1.00 0.00 O ATOM 461 OP2 C A 15 19.540 24.239 32.874 1.00 0.00 O ATOM 462 O5' C A 15 18.723 25.964 31.257 1.00 0.00 O ATOM 463 C5' C A 15 17.990 27.146 30.924 1.00 0.00 C ATOM 464 C4' C A 15 17.557 27.162 29.462 1.00 0.00 C ATOM 465 O4' C A 15 18.693 27.206 28.596 1.00 0.00 O ATOM 466 C3' C A 15 16.737 25.924 29.115 1.00 0.00 C ATOM 467 O3' C A 15 15.340 26.124 29.352 1.00 0.00 O ATOM 468 C2' C A 15 17.036 25.771 27.627 1.00 0.00 C ATOM 469 O2' C A 15 16.162 26.572 26.828 1.00 0.00 O ATOM 470 C1' C A 15 18.474 26.273 27.534 1.00 0.00 C ATOM 471 N1 C A 15 19.428 25.152 27.633 1.00 0.00 N ATOM 472 C2 C A 15 20.038 24.719 26.470 1.00 0.00 C ATOM 473 O2 C A 15 19.775 25.261 25.398 1.00 0.00 O ATOM 474 N3 C A 15 20.917 23.688 26.548 1.00 0.00 N ATOM 475 C4 C A 15 21.190 23.102 27.721 1.00 0.00 C ATOM 476 N4 C A 15 22.066 22.097 27.759 1.00 0.00 N ATOM 477 C5 C A 15 20.563 23.545 28.931 1.00 0.00 C ATOM 478 C6 C A 15 19.690 24.571 28.840 1.00 0.00 C ATOM 0 H5' C A 15 18.605 28.023 31.129 1.00 0.00 H new ATOM 0 H5'' C A 15 17.110 27.218 31.563 1.00 0.00 H new ATOM 0 H4' C A 15 16.947 28.054 29.321 1.00 0.00 H new ATOM 0 H3' C A 15 16.986 25.048 29.714 1.00 0.00 H new ATOM 0 H2' C A 15 16.897 24.754 27.261 1.00 0.00 H new ATOM 0 HO2' C A 15 15.343 26.764 27.331 1.00 0.00 H new ATOM 0 HO3' C A 15 14.848 25.310 29.116 1.00 0.00 H new ATOM 0 H1' C A 15 18.632 26.757 26.570 1.00 0.00 H new ATOM 0 H41 C A 15 22.283 21.642 28.646 1.00 0.00 H new ATOM 0 H42 C A 15 22.519 21.783 26.901 1.00 0.00 H new ATOM 0 H5 C A 15 20.780 23.076 29.879 1.00 0.00 H new ATOM 0 H6 C A 15 19.195 24.935 29.729 1.00 0.00 H new TER 491 C A 15