USER MOD reduce.3.24.130724 H: found=0, std=0, add=163, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 163 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot -29:sc= 0.1 USER MOD Single : A 1 G O5' : rot -22:sc= 0.0903 USER MOD Single : A 2 A O2' : rot -24:sc= -0.407 USER MOD Single : A 3 G O2' : rot -17:sc= 0.0689 USER MOD Single : A 4 A O2' : rot 180:sc= -0.714 USER MOD Single : A 5 G O2' : rot -15:sc= 0.0827 USER MOD Single : A 6 U O2' : rot -147:sc= -3.35! USER MOD Single : A 7 U O2' : rot -119:sc= -1.51! USER MOD Single : A 8 G O2' : rot 14:sc= 0.24 USER MOD Single : A 9 G O2' : rot -50:sc= -0.163 USER MOD Single : A 10 G O2' : rot 178:sc= -2.61! USER MOD Single : A 11 C O2' : rot 180:sc= -1.42! USER MOD Single : A 12 U O2' : rot 180:sc= -3.55! USER MOD Single : A 13 C O2' : rot 180:sc= -1.15 USER MOD Single : A 14 U O2' : rot -115:sc= 0.186 USER MOD Single : A 15 C O2' : rot -17:sc= 0.105 USER MOD Single : A 15 C O3' : rot 180:sc= 0.133 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.295 -10.232 -7.965 1.00 0.00 O ATOM 2 C5' G A 1 -4.915 -9.116 -7.321 1.00 0.00 C ATOM 3 C4' G A 1 -5.535 -9.534 -6.008 1.00 0.00 C ATOM 4 O4' G A 1 -4.563 -10.308 -5.258 1.00 0.00 O ATOM 5 C3' G A 1 -5.921 -8.393 -5.078 1.00 0.00 C ATOM 6 O3' G A 1 -7.229 -7.912 -5.371 1.00 0.00 O ATOM 7 C2' G A 1 -5.833 -9.037 -3.698 1.00 0.00 C ATOM 8 O2' G A 1 -6.990 -9.799 -3.414 1.00 0.00 O ATOM 9 C1' G A 1 -4.654 -9.993 -3.879 1.00 0.00 C ATOM 10 N9 G A 1 -3.369 -9.451 -3.454 1.00 0.00 N ATOM 11 C8 G A 1 -2.847 -8.210 -3.728 1.00 0.00 C ATOM 12 N7 G A 1 -1.642 -8.042 -3.256 1.00 0.00 N ATOM 13 C5 G A 1 -1.365 -9.234 -2.599 1.00 0.00 C ATOM 14 C6 G A 1 -0.212 -9.644 -1.879 1.00 0.00 C ATOM 15 O6 G A 1 0.838 -9.020 -1.680 1.00 0.00 O ATOM 16 N1 G A 1 -0.359 -10.926 -1.365 1.00 0.00 N ATOM 17 C2 G A 1 -1.469 -11.716 -1.525 1.00 0.00 C ATOM 18 N2 G A 1 -1.422 -12.920 -0.954 1.00 0.00 N ATOM 19 N3 G A 1 -2.546 -11.351 -2.196 1.00 0.00 N ATOM 20 C4 G A 1 -2.427 -10.107 -2.701 1.00 0.00 C ATOM 0 H5' G A 1 -5.680 -8.693 -7.972 1.00 0.00 H new ATOM 0 H5'' G A 1 -4.176 -8.334 -7.147 1.00 0.00 H new ATOM 0 H4' G A 1 -6.439 -10.073 -6.291 1.00 0.00 H new ATOM 0 H3' G A 1 -5.282 -7.515 -5.170 1.00 0.00 H new ATOM 0 H2' G A 1 -5.731 -8.310 -2.892 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.758 -9.417 -3.888 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.085 -10.919 -7.299 1.00 0.00 H new ATOM 0 H1' G A 1 -4.849 -10.861 -3.249 1.00 0.00 H new ATOM 0 H8 G A 1 -3.381 -7.450 -4.279 1.00 0.00 H new ATOM 0 H1 G A 1 0.418 -11.310 -0.827 1.00 0.00 H new ATOM 0 H21 G A 1 -2.216 -13.555 -1.037 1.00 0.00 H new ATOM 0 H22 G A 1 -0.592 -13.206 -0.435 1.00 0.00 H new ATOM 33 P A A 2 -7.631 -6.404 -4.985 1.00 0.00 P ATOM 34 OP1 A A 2 -9.038 -6.203 -5.416 1.00 0.00 O ATOM 35 OP2 A A 2 -6.572 -5.492 -5.491 1.00 0.00 O ATOM 36 O5' A A 2 -7.597 -6.393 -3.393 1.00 0.00 O ATOM 37 C5' A A 2 -6.406 -6.057 -2.687 1.00 0.00 C ATOM 38 C4' A A 2 -6.375 -6.765 -1.355 1.00 0.00 C ATOM 39 O4' A A 2 -5.328 -7.776 -1.369 1.00 0.00 O ATOM 40 C3' A A 2 -6.032 -5.871 -0.176 1.00 0.00 C ATOM 41 O3' A A 2 -7.201 -5.247 0.350 1.00 0.00 O ATOM 42 C2' A A 2 -5.396 -6.844 0.808 1.00 0.00 C ATOM 43 O2' A A 2 -6.376 -7.619 1.474 1.00 0.00 O ATOM 44 C1' A A 2 -4.619 -7.749 -0.143 1.00 0.00 C ATOM 45 N9 A A 2 -3.263 -7.277 -0.404 1.00 0.00 N ATOM 46 C8 A A 2 -2.872 -6.368 -1.351 1.00 0.00 C ATOM 47 N7 A A 2 -1.584 -6.124 -1.350 1.00 0.00 N ATOM 48 C5 A A 2 -1.094 -6.934 -0.337 1.00 0.00 C ATOM 49 C6 A A 2 0.201 -7.143 0.163 1.00 0.00 C ATOM 50 N6 A A 2 1.281 -6.523 -0.308 1.00 0.00 N ATOM 51 N1 A A 2 0.349 -8.022 1.178 1.00 0.00 N ATOM 52 C2 A A 2 -0.740 -8.641 1.654 1.00 0.00 C ATOM 53 N3 A A 2 -2.008 -8.528 1.267 1.00 0.00 N ATOM 54 C4 A A 2 -2.118 -7.650 0.255 1.00 0.00 C ATOM 0 H5' A A 2 -6.356 -4.979 -2.536 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.533 -6.337 -3.277 1.00 0.00 H new ATOM 0 H4' A A 2 -7.383 -7.161 -1.228 1.00 0.00 H new ATOM 0 H3' A A 2 -5.372 -5.041 -0.427 1.00 0.00 H new ATOM 0 H2' A A 2 -4.811 -6.355 1.587 1.00 0.00 H new ATOM 0 HO2' A A 2 -7.231 -7.140 1.470 1.00 0.00 H new ATOM 0 H1' A A 2 -4.531 -8.733 0.318 1.00 0.00 H new ATOM 0 H8 A A 2 -3.561 -5.896 -2.035 1.00 0.00 H new ATOM 0 H61 A A 2 2.197 -6.716 0.097 1.00 0.00 H new ATOM 0 H62 A A 2 1.192 -5.855 -1.073 1.00 0.00 H new ATOM 0 H2 A A 2 -0.563 -9.329 2.467 1.00 0.00 H new ATOM 66 P G A 3 -7.170 -3.692 0.762 1.00 0.00 P ATOM 67 OP1 G A 3 -8.463 -3.107 0.325 1.00 0.00 O ATOM 68 OP2 G A 3 -5.897 -3.089 0.294 1.00 0.00 O ATOM 69 O5' G A 3 -7.158 -3.714 2.356 1.00 0.00 O ATOM 70 C5' G A 3 -6.846 -4.907 3.076 1.00 0.00 C ATOM 71 C4' G A 3 -5.967 -4.586 4.263 1.00 0.00 C ATOM 72 O4' G A 3 -4.729 -5.346 4.154 1.00 0.00 O ATOM 73 C3' G A 3 -5.521 -3.135 4.366 1.00 0.00 C ATOM 74 O3' G A 3 -6.487 -2.339 5.049 1.00 0.00 O ATOM 75 C2' G A 3 -4.206 -3.251 5.125 1.00 0.00 C ATOM 76 O2' G A 3 -4.427 -3.462 6.507 1.00 0.00 O ATOM 77 C1' G A 3 -3.631 -4.527 4.518 1.00 0.00 C ATOM 78 N9 G A 3 -2.811 -4.302 3.332 1.00 0.00 N ATOM 79 C8 G A 3 -3.250 -3.933 2.087 1.00 0.00 C ATOM 80 N7 G A 3 -2.289 -3.823 1.212 1.00 0.00 N ATOM 81 C5 G A 3 -1.139 -4.131 1.927 1.00 0.00 C ATOM 82 C6 G A 3 0.217 -4.176 1.513 1.00 0.00 C ATOM 83 O6 G A 3 0.690 -3.945 0.394 1.00 0.00 O ATOM 84 N1 G A 3 1.061 -4.534 2.560 1.00 0.00 N ATOM 85 C2 G A 3 0.653 -4.808 3.841 1.00 0.00 C ATOM 86 N2 G A 3 1.619 -5.128 4.710 1.00 0.00 N ATOM 87 N3 G A 3 -0.607 -4.769 4.242 1.00 0.00 N ATOM 88 C4 G A 3 -1.443 -4.426 3.239 1.00 0.00 C ATOM 0 H5' G A 3 -6.339 -5.614 2.420 1.00 0.00 H new ATOM 0 H5'' G A 3 -7.764 -5.387 3.414 1.00 0.00 H new ATOM 0 H4' G A 3 -6.582 -4.826 5.131 1.00 0.00 H new ATOM 0 H3' G A 3 -5.408 -2.636 3.404 1.00 0.00 H new ATOM 0 H2' G A 3 -3.578 -2.363 5.047 1.00 0.00 H new ATOM 0 HO2' G A 3 -5.349 -3.217 6.732 1.00 0.00 H new ATOM 0 H1' G A 3 -2.978 -4.984 5.262 1.00 0.00 H new ATOM 0 H8 G A 3 -4.289 -3.751 1.854 1.00 0.00 H new ATOM 0 H1 G A 3 2.059 -4.598 2.360 1.00 0.00 H new ATOM 0 H21 G A 3 1.383 -5.343 5.679 1.00 0.00 H new ATOM 0 H22 G A 3 2.591 -5.157 4.404 1.00 0.00 H new ATOM 100 P A A 4 -6.801 -0.846 4.537 1.00 0.00 P ATOM 101 OP1 A A 4 -7.916 -0.303 5.353 1.00 0.00 O ATOM 102 OP2 A A 4 -6.930 -0.891 3.058 1.00 0.00 O ATOM 103 O5' A A 4 -5.476 -0.039 4.902 1.00 0.00 O ATOM 104 C5' A A 4 -4.304 -0.144 4.097 1.00 0.00 C ATOM 105 C4' A A 4 -3.084 -0.248 4.978 1.00 0.00 C ATOM 106 O4' A A 4 -2.253 -1.339 4.501 1.00 0.00 O ATOM 107 C3' A A 4 -2.177 0.974 4.990 1.00 0.00 C ATOM 108 O3' A A 4 -2.600 1.902 5.988 1.00 0.00 O ATOM 109 C2' A A 4 -0.802 0.375 5.277 1.00 0.00 C ATOM 110 O2' A A 4 -0.628 0.120 6.658 1.00 0.00 O ATOM 111 C1' A A 4 -0.890 -0.963 4.545 1.00 0.00 C ATOM 112 N9 A A 4 -0.390 -0.936 3.172 1.00 0.00 N ATOM 113 C8 A A 4 -1.154 -0.931 2.036 1.00 0.00 C ATOM 114 N7 A A 4 -0.456 -0.934 0.927 1.00 0.00 N ATOM 115 C5 A A 4 0.861 -0.934 1.363 1.00 0.00 C ATOM 116 C6 A A 4 2.086 -0.941 0.673 1.00 0.00 C ATOM 117 N6 A A 4 2.184 -0.955 -0.658 1.00 0.00 N ATOM 118 N1 A A 4 3.220 -0.935 1.407 1.00 0.00 N ATOM 119 C2 A A 4 3.116 -0.923 2.744 1.00 0.00 C ATOM 120 N3 A A 4 2.024 -0.921 3.505 1.00 0.00 N ATOM 121 C4 A A 4 0.916 -0.927 2.745 1.00 0.00 C ATOM 0 H5' A A 4 -4.220 0.726 3.446 1.00 0.00 H new ATOM 0 H5'' A A 4 -4.373 -1.020 3.451 1.00 0.00 H new ATOM 0 H4' A A 4 -3.483 -0.382 5.983 1.00 0.00 H new ATOM 0 H3' A A 4 -2.185 1.548 4.063 1.00 0.00 H new ATOM 0 H2' A A 4 0.018 1.026 4.974 1.00 0.00 H new ATOM 0 HO2' A A 4 0.261 -0.264 6.810 1.00 0.00 H new ATOM 0 H1' A A 4 -0.261 -1.664 5.093 1.00 0.00 H new ATOM 0 H8 A A 4 -2.234 -0.925 2.052 1.00 0.00 H new ATOM 0 H61 A A 4 3.102 -0.959 -1.102 1.00 0.00 H new ATOM 0 H62 A A 4 1.340 -0.961 -1.231 1.00 0.00 H new ATOM 0 H2 A A 4 4.053 -0.914 3.280 1.00 0.00 H new ATOM 133 P G A 5 -2.327 3.476 5.791 1.00 0.00 P ATOM 134 OP1 G A 5 -3.197 4.221 6.738 1.00 0.00 O ATOM 135 OP2 G A 5 -2.402 3.775 4.338 1.00 0.00 O ATOM 136 O5' G A 5 -0.815 3.657 6.253 1.00 0.00 O ATOM 137 C5' G A 5 -0.383 3.245 7.549 1.00 0.00 C ATOM 138 C4' G A 5 1.071 3.595 7.739 1.00 0.00 C ATOM 139 O4' G A 5 1.880 2.559 7.115 1.00 0.00 O ATOM 140 C3' G A 5 1.491 4.900 7.071 1.00 0.00 C ATOM 141 O3' G A 5 1.378 6.004 7.968 1.00 0.00 O ATOM 142 C2' G A 5 2.936 4.626 6.666 1.00 0.00 C ATOM 143 O2' G A 5 3.816 4.766 7.767 1.00 0.00 O ATOM 144 C1' G A 5 2.863 3.150 6.287 1.00 0.00 C ATOM 145 N9 G A 5 2.499 2.906 4.894 1.00 0.00 N ATOM 146 C8 G A 5 1.234 2.762 4.376 1.00 0.00 C ATOM 147 N7 G A 5 1.226 2.516 3.097 1.00 0.00 N ATOM 148 C5 G A 5 2.566 2.512 2.740 1.00 0.00 C ATOM 149 C6 G A 5 3.169 2.307 1.482 1.00 0.00 C ATOM 150 O6 G A 5 2.627 2.062 0.407 1.00 0.00 O ATOM 151 N1 G A 5 4.552 2.402 1.553 1.00 0.00 N ATOM 152 C2 G A 5 5.266 2.647 2.701 1.00 0.00 C ATOM 153 N2 G A 5 6.599 2.686 2.572 1.00 0.00 N ATOM 154 N3 G A 5 4.713 2.836 3.889 1.00 0.00 N ATOM 155 C4 G A 5 3.366 2.758 3.835 1.00 0.00 C ATOM 0 H5' G A 5 -0.526 2.171 7.665 1.00 0.00 H new ATOM 0 H5'' G A 5 -0.987 3.732 8.315 1.00 0.00 H new ATOM 0 H4' G A 5 1.215 3.691 8.815 1.00 0.00 H new ATOM 0 H3' G A 5 0.864 5.177 6.223 1.00 0.00 H new ATOM 0 H2' G A 5 3.301 5.299 5.890 1.00 0.00 H new ATOM 0 HO2' G A 5 3.361 5.245 8.491 1.00 0.00 H new ATOM 0 H1' G A 5 3.858 2.725 6.420 1.00 0.00 H new ATOM 0 H8 G A 5 0.336 2.845 4.970 1.00 0.00 H new ATOM 0 H1 G A 5 5.078 2.281 0.688 1.00 0.00 H new ATOM 0 H21 G A 5 7.185 2.864 3.387 1.00 0.00 H new ATOM 0 H22 G A 5 7.027 2.538 1.658 1.00 0.00 H new ATOM 167 P U A 6 0.192 7.078 7.780 1.00 0.00 P ATOM 168 OP1 U A 6 0.118 7.892 9.019 1.00 0.00 O ATOM 169 OP2 U A 6 -1.012 6.342 7.315 1.00 0.00 O ATOM 170 O5' U A 6 0.673 8.026 6.590 1.00 0.00 O ATOM 171 C5' U A 6 1.791 7.689 5.773 1.00 0.00 C ATOM 172 C4' U A 6 1.551 8.132 4.350 1.00 0.00 C ATOM 173 O4' U A 6 2.024 7.108 3.445 1.00 0.00 O ATOM 174 C3' U A 6 0.099 8.312 3.941 1.00 0.00 C ATOM 175 O3' U A 6 -0.389 9.597 4.322 1.00 0.00 O ATOM 176 C2' U A 6 0.130 8.136 2.421 1.00 0.00 C ATOM 177 O2' U A 6 0.338 9.371 1.763 1.00 0.00 O ATOM 178 C1' U A 6 1.366 7.257 2.205 1.00 0.00 C ATOM 179 N1 U A 6 1.012 5.932 1.676 1.00 0.00 N ATOM 180 C2 U A 6 1.772 5.428 0.635 1.00 0.00 C ATOM 181 O2 U A 6 2.745 6.005 0.180 1.00 0.00 O ATOM 182 N3 U A 6 1.352 4.221 0.145 1.00 0.00 N ATOM 183 C4 U A 6 0.268 3.482 0.571 1.00 0.00 C ATOM 184 O4 U A 6 -0.008 2.426 -0.001 1.00 0.00 O ATOM 185 C5 U A 6 -0.453 4.060 1.661 1.00 0.00 C ATOM 186 C6 U A 6 -0.063 5.231 2.174 1.00 0.00 C ATOM 0 H5' U A 6 1.961 6.613 5.803 1.00 0.00 H new ATOM 0 H5'' U A 6 2.691 8.164 6.162 1.00 0.00 H new ATOM 0 H4' U A 6 2.062 9.093 4.298 1.00 0.00 H new ATOM 0 H3' U A 6 -0.573 7.604 4.426 1.00 0.00 H new ATOM 0 H2' U A 6 -0.802 7.723 2.035 1.00 0.00 H new ATOM 0 HO2' U A 6 -0.136 9.368 0.905 1.00 0.00 H new ATOM 0 H1' U A 6 2.013 7.739 1.472 1.00 0.00 H new ATOM 0 H3 U A 6 1.900 3.825 -0.618 1.00 0.00 H new ATOM 0 H5 U A 6 -1.313 3.551 2.070 1.00 0.00 H new ATOM 0 H6 U A 6 -0.611 5.642 3.009 1.00 0.00 H new ATOM 197 P U A 7 -1.895 9.760 4.865 1.00 0.00 P ATOM 198 OP1 U A 7 -1.814 10.261 6.261 1.00 0.00 O ATOM 199 OP2 U A 7 -2.654 8.514 4.574 1.00 0.00 O ATOM 200 O5' U A 7 -2.488 10.927 3.954 1.00 0.00 O ATOM 201 C5' U A 7 -2.510 10.802 2.532 1.00 0.00 C ATOM 202 C4' U A 7 -2.237 12.135 1.875 1.00 0.00 C ATOM 203 O4' U A 7 -1.513 12.997 2.803 1.00 0.00 O ATOM 204 C3' U A 7 -1.337 12.046 0.649 1.00 0.00 C ATOM 205 O3' U A 7 -1.608 13.081 -0.291 1.00 0.00 O ATOM 206 C2' U A 7 0.053 12.183 1.252 1.00 0.00 C ATOM 207 O2' U A 7 0.981 12.692 0.310 1.00 0.00 O ATOM 208 C1' U A 7 -0.211 13.251 2.303 1.00 0.00 C ATOM 209 N1 U A 7 0.733 13.247 3.429 1.00 0.00 N ATOM 210 C2 U A 7 1.659 14.272 3.500 1.00 0.00 C ATOM 211 O2 U A 7 1.720 15.167 2.675 1.00 0.00 O ATOM 212 N3 U A 7 2.510 14.210 4.573 1.00 0.00 N ATOM 213 C4 U A 7 2.531 13.251 5.561 1.00 0.00 C ATOM 214 O4 U A 7 3.362 13.333 6.466 1.00 0.00 O ATOM 215 C5 U A 7 1.545 12.228 5.417 1.00 0.00 C ATOM 216 C6 U A 7 0.699 12.256 4.383 1.00 0.00 C ATOM 0 H5' U A 7 -3.480 10.424 2.210 1.00 0.00 H new ATOM 0 H5'' U A 7 -1.763 10.074 2.214 1.00 0.00 H new ATOM 0 H4' U A 7 -3.218 12.513 1.587 1.00 0.00 H new ATOM 0 H3' U A 7 -1.476 11.126 0.081 1.00 0.00 H new ATOM 0 H2' U A 7 0.472 11.243 1.611 1.00 0.00 H new ATOM 0 HO2' U A 7 1.696 12.037 0.168 1.00 0.00 H new ATOM 0 H1' U A 7 -0.098 14.227 1.830 1.00 0.00 H new ATOM 0 H3 U A 7 3.203 14.955 4.648 1.00 0.00 H new ATOM 0 H5 U A 7 1.483 11.432 6.144 1.00 0.00 H new ATOM 0 H6 U A 7 -0.038 11.472 4.293 1.00 0.00 H new ATOM 227 P G A 8 -1.558 12.765 -1.869 1.00 0.00 P ATOM 228 OP1 G A 8 -0.395 13.487 -2.444 1.00 0.00 O ATOM 229 OP2 G A 8 -2.917 13.012 -2.411 1.00 0.00 O ATOM 230 O5' G A 8 -1.268 11.199 -1.951 1.00 0.00 O ATOM 231 C5' G A 8 0.018 10.665 -1.630 1.00 0.00 C ATOM 232 C4' G A 8 -0.033 9.153 -1.612 1.00 0.00 C ATOM 233 O4' G A 8 -0.941 8.746 -0.553 1.00 0.00 O ATOM 234 C3' G A 8 -0.560 8.489 -2.880 1.00 0.00 C ATOM 235 O3' G A 8 0.047 7.214 -3.099 1.00 0.00 O ATOM 236 C2' G A 8 -2.062 8.383 -2.625 1.00 0.00 C ATOM 237 O2' G A 8 -2.613 7.231 -3.236 1.00 0.00 O ATOM 238 C1' G A 8 -2.113 8.184 -1.109 1.00 0.00 C ATOM 239 N9 G A 8 -3.268 8.817 -0.480 1.00 0.00 N ATOM 240 C8 G A 8 -3.746 10.084 -0.712 1.00 0.00 C ATOM 241 N7 G A 8 -4.799 10.376 0.000 1.00 0.00 N ATOM 242 C5 G A 8 -5.034 9.231 0.748 1.00 0.00 C ATOM 243 C6 G A 8 -6.045 8.949 1.704 1.00 0.00 C ATOM 244 O6 G A 8 -6.965 9.679 2.091 1.00 0.00 O ATOM 245 N1 G A 8 -5.914 7.666 2.224 1.00 0.00 N ATOM 246 C2 G A 8 -4.939 6.769 1.871 1.00 0.00 C ATOM 247 N2 G A 8 -4.982 5.580 2.484 1.00 0.00 N ATOM 248 N3 G A 8 -3.990 7.017 0.982 1.00 0.00 N ATOM 249 C4 G A 8 -4.098 8.259 0.465 1.00 0.00 C ATOM 0 H5' G A 8 0.342 11.037 -0.658 1.00 0.00 H new ATOM 0 H5'' G A 8 0.753 11.003 -2.361 1.00 0.00 H new ATOM 0 H4' G A 8 1.003 8.839 -1.485 1.00 0.00 H new ATOM 0 H3' G A 8 -0.332 9.052 -3.785 1.00 0.00 H new ATOM 0 H2' G A 8 -2.613 9.241 -3.010 1.00 0.00 H new ATOM 0 HO2' G A 8 -1.891 6.625 -3.504 1.00 0.00 H new ATOM 0 H1' G A 8 -2.192 7.113 -0.923 1.00 0.00 H new ATOM 0 H8 G A 8 -3.295 10.770 -1.414 1.00 0.00 H new ATOM 0 H1 G A 8 -6.596 7.369 2.922 1.00 0.00 H new ATOM 0 H21 G A 8 -4.285 4.868 2.266 1.00 0.00 H new ATOM 0 H22 G A 8 -5.712 5.386 3.169 1.00 0.00 H new ATOM 261 P G A 9 1.472 7.120 -3.846 1.00 0.00 P ATOM 262 OP1 G A 9 2.499 6.887 -2.798 1.00 0.00 O ATOM 263 OP2 G A 9 1.609 8.282 -4.761 1.00 0.00 O ATOM 264 O5' G A 9 1.369 5.796 -4.728 1.00 0.00 O ATOM 265 C5' G A 9 2.210 5.598 -5.867 1.00 0.00 C ATOM 266 C4' G A 9 1.487 4.773 -6.906 1.00 0.00 C ATOM 267 O4' G A 9 0.579 5.646 -7.635 1.00 0.00 O ATOM 268 C3' G A 9 2.363 4.138 -7.982 1.00 0.00 C ATOM 269 O3' G A 9 1.747 2.947 -8.475 1.00 0.00 O ATOM 270 C2' G A 9 2.454 5.248 -9.022 1.00 0.00 C ATOM 271 O2' G A 9 2.684 4.739 -10.322 1.00 0.00 O ATOM 272 C1' G A 9 1.035 5.809 -8.965 1.00 0.00 C ATOM 273 N9 G A 9 0.938 7.223 -9.314 1.00 0.00 N ATOM 274 C8 G A 9 1.476 8.285 -8.630 1.00 0.00 C ATOM 275 N7 G A 9 1.222 9.438 -9.186 1.00 0.00 N ATOM 276 C5 G A 9 0.468 9.118 -10.307 1.00 0.00 C ATOM 277 C6 G A 9 -0.101 9.953 -11.303 1.00 0.00 C ATOM 278 O6 G A 9 -0.052 11.184 -11.397 1.00 0.00 O ATOM 279 N1 G A 9 -0.787 9.213 -12.260 1.00 0.00 N ATOM 280 C2 G A 9 -0.910 7.847 -12.260 1.00 0.00 C ATOM 281 N2 G A 9 -1.609 7.318 -13.270 1.00 0.00 N ATOM 282 N3 G A 9 -0.386 7.057 -11.341 1.00 0.00 N ATOM 283 C4 G A 9 0.284 7.754 -10.400 1.00 0.00 C ATOM 0 H5' G A 9 3.130 5.096 -5.567 1.00 0.00 H new ATOM 0 H5'' G A 9 2.496 6.561 -6.290 1.00 0.00 H new ATOM 0 H4' G A 9 1.016 3.972 -6.337 1.00 0.00 H new ATOM 0 H3' G A 9 3.348 3.814 -7.646 1.00 0.00 H new ATOM 0 H2' G A 9 3.262 5.953 -8.827 1.00 0.00 H new ATOM 0 HO2' G A 9 3.433 4.107 -10.298 1.00 0.00 H new ATOM 0 H1' G A 9 0.436 5.271 -9.700 1.00 0.00 H new ATOM 0 H8 G A 9 2.052 8.177 -7.723 1.00 0.00 H new ATOM 0 H1 G A 9 -1.233 9.726 -13.021 1.00 0.00 H new ATOM 0 H21 G A 9 -1.737 6.308 -13.328 1.00 0.00 H new ATOM 0 H22 G A 9 -2.014 7.925 -13.983 1.00 0.00 H new ATOM 295 P G A 10 2.547 1.972 -9.476 1.00 0.00 P ATOM 296 OP1 G A 10 1.940 2.124 -10.822 1.00 0.00 O ATOM 297 OP2 G A 10 2.612 0.625 -8.851 1.00 0.00 O ATOM 298 O5' G A 10 4.020 2.577 -9.531 1.00 0.00 O ATOM 299 C5' G A 10 5.167 1.728 -9.556 1.00 0.00 C ATOM 300 C4' G A 10 6.297 2.357 -8.775 1.00 0.00 C ATOM 301 O4' G A 10 5.725 3.215 -7.751 1.00 0.00 O ATOM 302 C3' G A 10 7.197 1.379 -8.029 1.00 0.00 C ATOM 303 O3' G A 10 8.531 1.871 -7.934 1.00 0.00 O ATOM 304 C2' G A 10 6.518 1.256 -6.670 1.00 0.00 C ATOM 305 O2' G A 10 7.450 0.988 -5.639 1.00 0.00 O ATOM 306 C1' G A 10 5.970 2.667 -6.471 1.00 0.00 C ATOM 307 N9 G A 10 4.725 2.687 -5.715 1.00 0.00 N ATOM 308 C8 G A 10 3.554 2.044 -6.031 1.00 0.00 C ATOM 309 N7 G A 10 2.617 2.216 -5.143 1.00 0.00 N ATOM 310 C5 G A 10 3.202 3.029 -4.184 1.00 0.00 C ATOM 311 C6 G A 10 2.673 3.557 -2.986 1.00 0.00 C ATOM 312 O6 G A 10 1.538 3.415 -2.521 1.00 0.00 O ATOM 313 N1 G A 10 3.613 4.327 -2.306 1.00 0.00 N ATOM 314 C2 G A 10 4.890 4.570 -2.737 1.00 0.00 C ATOM 315 N2 G A 10 5.645 5.340 -1.947 1.00 0.00 N ATOM 316 N3 G A 10 5.393 4.095 -3.860 1.00 0.00 N ATOM 317 C4 G A 10 4.502 3.333 -4.526 1.00 0.00 C ATOM 0 H5' G A 10 5.479 1.555 -10.586 1.00 0.00 H new ATOM 0 H5'' G A 10 4.918 0.756 -9.131 1.00 0.00 H new ATOM 0 H4' G A 10 6.903 2.872 -9.520 1.00 0.00 H new ATOM 0 H3' G A 10 7.303 0.415 -8.527 1.00 0.00 H new ATOM 0 H2' G A 10 5.783 0.452 -6.638 1.00 0.00 H new ATOM 0 HO2' G A 10 6.984 0.951 -4.778 1.00 0.00 H new ATOM 0 H1' G A 10 6.704 3.240 -5.904 1.00 0.00 H new ATOM 0 H8 G A 10 3.423 1.455 -6.926 1.00 0.00 H new ATOM 0 H1 G A 10 3.329 4.742 -1.419 1.00 0.00 H new ATOM 0 H21 G A 10 6.605 5.557 -2.214 1.00 0.00 H new ATOM 0 H22 G A 10 5.261 5.710 -1.078 1.00 0.00 H new ATOM 329 P C A 11 9.731 0.862 -7.578 1.00 0.00 P ATOM 330 OP1 C A 11 10.943 1.348 -8.286 1.00 0.00 O ATOM 331 OP2 C A 11 9.267 -0.533 -7.792 1.00 0.00 O ATOM 332 O5' C A 11 9.949 1.075 -6.015 1.00 0.00 O ATOM 333 C5' C A 11 10.529 2.276 -5.513 1.00 0.00 C ATOM 334 C4' C A 11 10.602 2.230 -4.005 1.00 0.00 C ATOM 335 O4' C A 11 9.470 2.926 -3.426 1.00 0.00 O ATOM 336 C3' C A 11 10.489 0.856 -3.370 1.00 0.00 C ATOM 337 O3' C A 11 11.683 0.094 -3.502 1.00 0.00 O ATOM 338 C2' C A 11 10.164 1.213 -1.924 1.00 0.00 C ATOM 339 O2' C A 11 11.315 1.638 -1.220 1.00 0.00 O ATOM 340 C1' C A 11 9.239 2.419 -2.121 1.00 0.00 C ATOM 341 N1 C A 11 7.816 2.076 -1.984 1.00 0.00 N ATOM 342 C2 C A 11 7.238 2.109 -0.711 1.00 0.00 C ATOM 343 O2 C A 11 7.934 2.446 0.258 1.00 0.00 O ATOM 344 N3 C A 11 5.937 1.774 -0.568 1.00 0.00 N ATOM 345 C4 C A 11 5.221 1.415 -1.635 1.00 0.00 C ATOM 346 N4 C A 11 3.954 1.065 -1.449 1.00 0.00 N ATOM 347 C5 C A 11 5.777 1.393 -2.942 1.00 0.00 C ATOM 348 C6 C A 11 7.067 1.724 -3.072 1.00 0.00 C ATOM 0 H5' C A 11 9.937 3.134 -5.830 1.00 0.00 H new ATOM 0 H5'' C A 11 11.528 2.407 -5.929 1.00 0.00 H new ATOM 0 H4' C A 11 11.585 2.659 -3.809 1.00 0.00 H new ATOM 0 H3' C A 11 9.743 0.213 -3.836 1.00 0.00 H new ATOM 0 H2' C A 11 9.750 0.379 -1.357 1.00 0.00 H new ATOM 0 HO2' C A 11 11.071 1.860 -0.297 1.00 0.00 H new ATOM 0 H1' C A 11 9.462 3.154 -1.347 1.00 0.00 H new ATOM 0 H41 C A 11 3.380 0.785 -2.245 1.00 0.00 H new ATOM 0 H42 C A 11 3.555 1.076 -0.511 1.00 0.00 H new ATOM 0 H5 C A 11 5.180 1.119 -3.800 1.00 0.00 H new ATOM 0 H6 C A 11 7.523 1.713 -4.051 1.00 0.00 H new ATOM 360 P U A 12 11.597 -1.509 -3.576 1.00 0.00 P ATOM 361 OP1 U A 12 12.933 -2.010 -3.989 1.00 0.00 O ATOM 362 OP2 U A 12 10.397 -1.879 -4.371 1.00 0.00 O ATOM 363 O5' U A 12 11.349 -1.948 -2.065 1.00 0.00 O ATOM 364 C5' U A 12 12.101 -1.367 -1.002 1.00 0.00 C ATOM 365 C4' U A 12 11.384 -1.558 0.314 1.00 0.00 C ATOM 366 O4' U A 12 10.238 -0.668 0.382 1.00 0.00 O ATOM 367 C3' U A 12 10.769 -2.929 0.542 1.00 0.00 C ATOM 368 O3' U A 12 11.739 -3.886 0.950 1.00 0.00 O ATOM 369 C2' U A 12 9.739 -2.634 1.625 1.00 0.00 C ATOM 370 O2' U A 12 10.352 -2.489 2.891 1.00 0.00 O ATOM 371 C1' U A 12 9.225 -1.266 1.176 1.00 0.00 C ATOM 372 N1 U A 12 7.988 -1.345 0.386 1.00 0.00 N ATOM 373 C2 U A 12 6.787 -1.241 1.064 1.00 0.00 C ATOM 374 O2 U A 12 6.718 -1.075 2.268 1.00 0.00 O ATOM 375 N3 U A 12 5.668 -1.339 0.279 1.00 0.00 N ATOM 376 C4 U A 12 5.625 -1.521 -1.085 1.00 0.00 C ATOM 377 O4 U A 12 4.534 -1.604 -1.651 1.00 0.00 O ATOM 378 C5 U A 12 6.906 -1.609 -1.714 1.00 0.00 C ATOM 379 C6 U A 12 8.019 -1.521 -0.980 1.00 0.00 C ATOM 0 H5' U A 12 12.250 -0.304 -1.192 1.00 0.00 H new ATOM 0 H5'' U A 12 13.089 -1.824 -0.955 1.00 0.00 H new ATOM 0 H4' U A 12 12.168 -1.380 1.050 1.00 0.00 H new ATOM 0 H3' U A 12 10.336 -3.375 -0.353 1.00 0.00 H new ATOM 0 H2' U A 12 8.987 -3.416 1.731 1.00 0.00 H new ATOM 0 HO2' U A 12 9.667 -2.299 3.566 1.00 0.00 H new ATOM 0 H1' U A 12 8.994 -0.681 2.067 1.00 0.00 H new ATOM 0 H3 U A 12 4.770 -1.270 0.757 1.00 0.00 H new ATOM 0 H5 U A 12 6.974 -1.747 -2.783 1.00 0.00 H new ATOM 0 H6 U A 12 8.976 -1.590 -1.475 1.00 0.00 H new ATOM 390 P C A 13 11.395 -5.454 0.865 1.00 0.00 P ATOM 391 OP1 C A 13 12.613 -6.201 1.271 1.00 0.00 O ATOM 392 OP2 C A 13 10.771 -5.729 -0.455 1.00 0.00 O ATOM 393 O5' C A 13 10.286 -5.662 1.990 1.00 0.00 O ATOM 394 C5' C A 13 10.552 -5.336 3.354 1.00 0.00 C ATOM 395 C4' C A 13 9.410 -5.788 4.233 1.00 0.00 C ATOM 396 O4' C A 13 8.297 -4.867 4.105 1.00 0.00 O ATOM 397 C3' C A 13 8.793 -7.128 3.875 1.00 0.00 C ATOM 398 O3' C A 13 9.578 -8.212 4.362 1.00 0.00 O ATOM 399 C2' C A 13 7.422 -7.042 4.538 1.00 0.00 C ATOM 400 O2' C A 13 7.497 -7.305 5.926 1.00 0.00 O ATOM 401 C1' C A 13 7.083 -5.561 4.344 1.00 0.00 C ATOM 402 N1 C A 13 6.172 -5.312 3.214 1.00 0.00 N ATOM 403 C2 C A 13 4.804 -5.152 3.469 1.00 0.00 C ATOM 404 O2 C A 13 4.397 -5.231 4.637 1.00 0.00 O ATOM 405 N3 C A 13 3.963 -4.917 2.437 1.00 0.00 N ATOM 406 C4 C A 13 4.439 -4.842 1.193 1.00 0.00 C ATOM 407 N4 C A 13 3.572 -4.601 0.208 1.00 0.00 N ATOM 408 C5 C A 13 5.825 -5.009 0.903 1.00 0.00 C ATOM 409 C6 C A 13 6.648 -5.237 1.935 1.00 0.00 C ATOM 0 H5' C A 13 10.695 -4.260 3.457 1.00 0.00 H new ATOM 0 H5'' C A 13 11.478 -5.813 3.675 1.00 0.00 H new ATOM 0 H4' C A 13 9.866 -5.844 5.222 1.00 0.00 H new ATOM 0 H3' C A 13 8.731 -7.316 2.803 1.00 0.00 H new ATOM 0 H2' C A 13 6.705 -7.753 4.126 1.00 0.00 H new ATOM 0 HO2' C A 13 6.602 -7.240 6.320 1.00 0.00 H new ATOM 0 H1' C A 13 6.573 -5.218 5.244 1.00 0.00 H new ATOM 0 H41 C A 13 3.900 -4.537 -0.756 1.00 0.00 H new ATOM 0 H42 C A 13 2.581 -4.481 0.419 1.00 0.00 H new ATOM 0 H5 C A 13 6.197 -4.954 -0.109 1.00 0.00 H new ATOM 0 H6 C A 13 7.705 -5.364 1.753 1.00 0.00 H new ATOM 421 P U A 14 9.457 -9.657 3.671 1.00 0.00 P ATOM 422 OP1 U A 14 10.486 -10.548 4.264 1.00 0.00 O ATOM 423 OP2 U A 14 9.423 -9.451 2.201 1.00 0.00 O ATOM 424 O5' U A 14 8.021 -10.173 4.129 1.00 0.00 O ATOM 425 C5' U A 14 7.736 -10.426 5.504 1.00 0.00 C ATOM 426 C4' U A 14 6.380 -11.074 5.643 1.00 0.00 C ATOM 427 O4' U A 14 5.350 -10.061 5.498 1.00 0.00 O ATOM 428 C3' U A 14 6.047 -12.106 4.578 1.00 0.00 C ATOM 429 O3' U A 14 6.586 -13.383 4.910 1.00 0.00 O ATOM 430 C2' U A 14 4.524 -12.087 4.566 1.00 0.00 C ATOM 431 O2' U A 14 3.985 -12.824 5.648 1.00 0.00 O ATOM 432 C1' U A 14 4.241 -10.602 4.801 1.00 0.00 C ATOM 433 N1 U A 14 4.050 -9.829 3.564 1.00 0.00 N ATOM 434 C2 U A 14 2.762 -9.712 3.070 1.00 0.00 C ATOM 435 O2 U A 14 1.797 -10.233 3.602 1.00 0.00 O ATOM 436 N3 U A 14 2.648 -8.962 1.927 1.00 0.00 N ATOM 437 C4 U A 14 3.664 -8.332 1.243 1.00 0.00 C ATOM 438 O4 U A 14 3.401 -7.679 0.233 1.00 0.00 O ATOM 439 C5 U A 14 4.962 -8.509 1.810 1.00 0.00 C ATOM 440 C6 U A 14 5.113 -9.234 2.920 1.00 0.00 C ATOM 0 H5' U A 14 7.761 -9.492 6.066 1.00 0.00 H new ATOM 0 H5'' U A 14 8.502 -11.074 5.929 1.00 0.00 H new ATOM 0 H4' U A 14 6.413 -11.563 6.617 1.00 0.00 H new ATOM 0 H3' U A 14 6.473 -11.890 3.598 1.00 0.00 H new ATOM 0 H2' U A 14 4.098 -12.516 3.659 1.00 0.00 H new ATOM 0 HO2' U A 14 3.497 -13.601 5.304 1.00 0.00 H new ATOM 0 H1' U A 14 3.308 -10.531 5.361 1.00 0.00 H new ATOM 0 H3 U A 14 1.709 -8.860 1.542 1.00 0.00 H new ATOM 0 H5 U A 14 5.822 -8.056 1.340 1.00 0.00 H new ATOM 0 H6 U A 14 6.105 -9.359 3.329 1.00 0.00 H new ATOM 451 P C A 15 7.097 -14.363 3.742 1.00 0.00 P ATOM 452 OP1 C A 15 7.972 -15.384 4.374 1.00 0.00 O ATOM 453 OP2 C A 15 7.620 -13.540 2.622 1.00 0.00 O ATOM 454 O5' C A 15 5.770 -15.090 3.247 1.00 0.00 O ATOM 455 C5' C A 15 4.967 -15.842 4.152 1.00 0.00 C ATOM 456 C4' C A 15 3.571 -15.995 3.601 1.00 0.00 C ATOM 457 O4' C A 15 2.956 -14.686 3.514 1.00 0.00 O ATOM 458 C3' C A 15 3.484 -16.544 2.186 1.00 0.00 C ATOM 459 O3' C A 15 3.533 -17.973 2.156 1.00 0.00 O ATOM 460 C2' C A 15 2.145 -16.002 1.696 1.00 0.00 C ATOM 461 O2' C A 15 1.071 -16.804 2.153 1.00 0.00 O ATOM 462 C1' C A 15 2.076 -14.649 2.407 1.00 0.00 C ATOM 463 N1 C A 15 2.450 -13.510 1.552 1.00 0.00 N ATOM 464 C2 C A 15 1.442 -12.832 0.865 1.00 0.00 C ATOM 465 O2 C A 15 0.272 -13.211 1.000 1.00 0.00 O ATOM 466 N3 C A 15 1.766 -11.785 0.077 1.00 0.00 N ATOM 467 C4 C A 15 3.039 -11.403 -0.034 1.00 0.00 C ATOM 468 N4 C A 15 3.310 -10.361 -0.821 1.00 0.00 N ATOM 469 C5 C A 15 4.090 -12.073 0.658 1.00 0.00 C ATOM 470 C6 C A 15 3.754 -13.116 1.428 1.00 0.00 C ATOM 0 H5' C A 15 4.932 -15.343 5.120 1.00 0.00 H new ATOM 0 H5'' C A 15 5.412 -16.824 4.316 1.00 0.00 H new ATOM 0 H4' C A 15 3.088 -16.696 4.282 1.00 0.00 H new ATOM 0 H3' C A 15 4.323 -16.242 1.558 1.00 0.00 H new ATOM 0 H2' C A 15 2.072 -15.965 0.609 1.00 0.00 H new ATOM 0 HO2' C A 15 1.415 -17.672 2.450 1.00 0.00 H new ATOM 0 HO3' C A 15 3.472 -18.283 1.228 1.00 0.00 H new ATOM 0 H1' C A 15 1.038 -14.495 2.703 1.00 0.00 H new ATOM 0 H41 C A 15 4.272 -10.041 -0.930 1.00 0.00 H new ATOM 0 H42 C A 15 2.555 -9.884 -1.314 1.00 0.00 H new ATOM 0 H5 C A 15 5.117 -11.752 0.565 1.00 0.00 H new ATOM 0 H6 C A 15 4.525 -13.654 1.959 1.00 0.00 H new TER 483 C A 15