USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 155 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 13 G O2' : rot -12:sc= -3.97! USER MOD Single : A 13 G O5' : rot 24:sc= -0.91! USER MOD Single : A 14 G O2' : rot -15:sc= 0.0172 USER MOD Single : A 15 C O2' : rot -10:sc= -0.642 USER MOD Single : A 16 A O2' : rot -1:sc= -5.1! USER MOD Single : A 17 C O2' : rot -4:sc= -3.41! USER MOD Single : A 18 U O2' : rot 175:sc= -7.27! USER MOD Single : A 19 G O2' : rot -19:sc= 0.192 USER MOD Single : A 19 G O3' : rot 180:sc= 0.186 USER MOD Single : B 59 C O2' : rot -6:sc= -2.73! USER MOD Single : B 59 C O5' : rot 32:sc= -2.7! USER MOD Single : B 60 A O2' : rot -16:sc= 0.212 USER MOD Single : B 61 G O2' : rot -150:sc= -1.43 USER MOD Single : B 62 U O2' : rot -19:sc= -1.58! USER MOD Single : B 63 G O2' : rot -4:sc= -0.225 USER MOD Single : B 64 U O2' : rot -9:sc= 0.224 USER MOD Single : B 65 C O2' : rot -29:sc= 0.157 USER MOD Single : B 65 C O3' : rot 180:sc= 0.143 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 13 4.976 -6.717 -5.362 1.00 0.00 O ATOM 2 C5' G A 13 5.289 -7.531 -6.495 1.00 0.00 C ATOM 3 C4' G A 13 4.095 -8.380 -6.924 1.00 0.00 C ATOM 4 O4' G A 13 3.851 -9.444 -5.990 1.00 0.00 O ATOM 5 C3' G A 13 2.816 -7.549 -6.956 1.00 0.00 C ATOM 6 O3' G A 13 2.551 -7.163 -8.305 1.00 0.00 O ATOM 7 C2' G A 13 1.754 -8.540 -6.525 1.00 0.00 C ATOM 8 O2' G A 13 1.313 -9.353 -7.619 1.00 0.00 O ATOM 9 C1' G A 13 2.510 -9.351 -5.492 1.00 0.00 C ATOM 10 N9 G A 13 2.474 -8.684 -4.179 1.00 0.00 N ATOM 11 C8 G A 13 3.168 -7.604 -3.741 1.00 0.00 C ATOM 12 N7 G A 13 2.940 -7.193 -2.540 1.00 0.00 N ATOM 13 C5 G A 13 1.973 -8.104 -2.107 1.00 0.00 C ATOM 14 C6 G A 13 1.304 -8.193 -0.858 1.00 0.00 C ATOM 15 O6 G A 13 1.432 -7.473 0.131 1.00 0.00 O ATOM 16 N1 G A 13 0.407 -9.253 -0.837 1.00 0.00 N ATOM 17 C2 G A 13 0.178 -10.124 -1.882 1.00 0.00 C ATOM 18 N2 G A 13 -0.725 -11.080 -1.666 1.00 0.00 N ATOM 19 N3 G A 13 0.805 -10.048 -3.061 1.00 0.00 N ATOM 20 C4 G A 13 1.683 -9.021 -3.105 1.00 0.00 C ATOM 0 H5' G A 13 6.131 -8.181 -6.256 1.00 0.00 H new ATOM 0 H5'' G A 13 5.602 -6.897 -7.324 1.00 0.00 H new ATOM 0 H4' G A 13 4.340 -8.771 -7.912 1.00 0.00 H new ATOM 0 H3' G A 13 2.863 -6.652 -6.338 1.00 0.00 H new ATOM 0 H2' G A 13 0.840 -8.080 -6.149 1.00 0.00 H new ATOM 0 HO2' G A 13 1.645 -8.977 -8.461 1.00 0.00 H new ATOM 0 HO5' G A 13 4.237 -7.123 -4.862 1.00 0.00 H new ATOM 0 H1' G A 13 2.070 -10.337 -5.345 1.00 0.00 H new ATOM 0 H8 G A 13 3.886 -7.106 -4.376 1.00 0.00 H new ATOM 0 H1 G A 13 -0.126 -9.399 0.020 1.00 0.00 H new ATOM 0 H21 G A 13 -0.939 -11.755 -2.400 1.00 0.00 H new ATOM 0 H22 G A 13 -1.202 -11.137 -0.766 1.00 0.00 H new ATOM 33 P G A 14 1.584 -5.913 -8.611 1.00 0.00 P ATOM 34 OP1 G A 14 1.467 -5.766 -10.079 1.00 0.00 O ATOM 35 OP2 G A 14 2.031 -4.768 -7.788 1.00 0.00 O ATOM 36 O5' G A 14 0.165 -6.421 -8.041 1.00 0.00 O ATOM 37 C5' G A 14 -0.521 -7.499 -8.679 1.00 0.00 C ATOM 38 C4' G A 14 -1.950 -7.654 -8.166 1.00 0.00 C ATOM 39 O4' G A 14 -2.008 -8.369 -6.919 1.00 0.00 O ATOM 40 C3' G A 14 -2.584 -6.312 -7.857 1.00 0.00 C ATOM 41 O3' G A 14 -3.141 -5.753 -9.048 1.00 0.00 O ATOM 42 C2' G A 14 -3.711 -6.736 -6.942 1.00 0.00 C ATOM 43 O2' G A 14 -4.783 -7.341 -7.674 1.00 0.00 O ATOM 44 C1' G A 14 -2.991 -7.747 -6.065 1.00 0.00 C ATOM 45 N9 G A 14 -2.361 -7.097 -4.908 1.00 0.00 N ATOM 46 C8 G A 14 -1.147 -6.502 -4.787 1.00 0.00 C ATOM 47 N7 G A 14 -0.822 -6.047 -3.624 1.00 0.00 N ATOM 48 C5 G A 14 -1.953 -6.370 -2.866 1.00 0.00 C ATOM 49 C6 G A 14 -2.226 -6.137 -1.496 1.00 0.00 C ATOM 50 O6 G A 14 -1.507 -5.594 -0.663 1.00 0.00 O ATOM 51 N1 G A 14 -3.482 -6.620 -1.137 1.00 0.00 N ATOM 52 C2 G A 14 -4.364 -7.247 -1.987 1.00 0.00 C ATOM 53 N2 G A 14 -5.524 -7.629 -1.455 1.00 0.00 N ATOM 54 N3 G A 14 -4.113 -7.472 -3.277 1.00 0.00 N ATOM 55 C4 G A 14 -2.897 -7.011 -3.649 1.00 0.00 C ATOM 0 H5' G A 14 0.027 -8.426 -8.511 1.00 0.00 H new ATOM 0 H5'' G A 14 -0.539 -7.330 -9.756 1.00 0.00 H new ATOM 0 H4' G A 14 -2.469 -8.186 -8.964 1.00 0.00 H new ATOM 0 H3' G A 14 -1.899 -5.572 -7.444 1.00 0.00 H new ATOM 0 H2' G A 14 -4.186 -5.920 -6.397 1.00 0.00 H new ATOM 0 HO2' G A 14 -4.676 -7.150 -8.629 1.00 0.00 H new ATOM 0 H1' G A 14 -3.682 -8.482 -5.651 1.00 0.00 H new ATOM 0 H8 G A 14 -0.479 -6.413 -5.631 1.00 0.00 H new ATOM 0 H1 G A 14 -3.771 -6.499 -0.166 1.00 0.00 H new ATOM 0 H21 G A 14 -6.220 -8.099 -2.034 1.00 0.00 H new ATOM 0 H22 G A 14 -5.716 -7.451 -0.469 1.00 0.00 H new ATOM 67 P C A 15 -3.292 -4.153 -9.175 1.00 0.00 P ATOM 68 OP1 C A 15 -4.006 -3.850 -10.436 1.00 0.00 O ATOM 69 OP2 C A 15 -1.976 -3.537 -8.900 1.00 0.00 O ATOM 70 O5' C A 15 -4.275 -3.822 -7.945 1.00 0.00 O ATOM 71 C5' C A 15 -5.648 -4.200 -8.009 1.00 0.00 C ATOM 72 C4' C A 15 -6.319 -4.149 -6.640 1.00 0.00 C ATOM 73 O4' C A 15 -5.640 -4.973 -5.689 1.00 0.00 O ATOM 74 C3' C A 15 -6.269 -2.774 -6.011 1.00 0.00 C ATOM 75 O3' C A 15 -7.312 -1.956 -6.547 1.00 0.00 O ATOM 76 C2' C A 15 -6.614 -3.119 -4.578 1.00 0.00 C ATOM 77 O2' C A 15 -8.016 -3.363 -4.417 1.00 0.00 O ATOM 78 C1' C A 15 -5.797 -4.392 -4.378 1.00 0.00 C ATOM 79 N1 C A 15 -4.497 -4.076 -3.750 1.00 0.00 N ATOM 80 C2 C A 15 -4.495 -3.876 -2.381 1.00 0.00 C ATOM 81 O2 C A 15 -5.549 -3.926 -1.750 1.00 0.00 O ATOM 82 N3 C A 15 -3.310 -3.610 -1.768 1.00 0.00 N ATOM 83 C4 C A 15 -2.173 -3.543 -2.470 1.00 0.00 C ATOM 84 N4 C A 15 -1.031 -3.285 -1.834 1.00 0.00 N ATOM 85 C5 C A 15 -2.169 -3.745 -3.885 1.00 0.00 C ATOM 86 C6 C A 15 -3.347 -4.003 -4.482 1.00 0.00 C ATOM 0 H5' C A 15 -5.728 -5.209 -8.415 1.00 0.00 H new ATOM 0 H5'' C A 15 -6.175 -3.538 -8.696 1.00 0.00 H new ATOM 0 H4' C A 15 -7.341 -4.472 -6.838 1.00 0.00 H new ATOM 0 H3' C A 15 -5.331 -2.239 -6.159 1.00 0.00 H new ATOM 0 H2' C A 15 -6.394 -2.327 -3.862 1.00 0.00 H new ATOM 0 HO2' C A 15 -8.489 -3.106 -5.236 1.00 0.00 H new ATOM 0 H1' C A 15 -6.291 -5.095 -3.708 1.00 0.00 H new ATOM 0 H41 C A 15 -0.157 -3.231 -2.357 1.00 0.00 H new ATOM 0 H42 C A 15 -1.031 -3.141 -0.824 1.00 0.00 H new ATOM 0 H5 C A 15 -1.253 -3.692 -4.455 1.00 0.00 H new ATOM 0 H6 C A 15 -3.383 -4.154 -5.551 1.00 0.00 H new ATOM 98 P A A 16 -7.212 -0.351 -6.438 1.00 0.00 P ATOM 99 OP1 A A 16 -8.443 0.230 -7.020 1.00 0.00 O ATOM 100 OP2 A A 16 -5.888 0.067 -6.947 1.00 0.00 O ATOM 101 O5' A A 16 -7.242 -0.099 -4.844 1.00 0.00 O ATOM 102 C5' A A 16 -8.457 -0.273 -4.111 1.00 0.00 C ATOM 103 C4' A A 16 -8.254 -0.110 -2.603 1.00 0.00 C ATOM 104 O4' A A 16 -7.305 -1.046 -2.081 1.00 0.00 O ATOM 105 C3' A A 16 -7.672 1.244 -2.248 1.00 0.00 C ATOM 106 O3' A A 16 -8.726 2.201 -2.140 1.00 0.00 O ATOM 107 C2' A A 16 -7.123 0.980 -0.862 1.00 0.00 C ATOM 108 O2' A A 16 -8.157 1.022 0.129 1.00 0.00 O ATOM 109 C1' A A 16 -6.558 -0.419 -1.016 1.00 0.00 C ATOM 110 N9 A A 16 -5.118 -0.370 -1.321 1.00 0.00 N ATOM 111 C8 A A 16 -4.467 -0.603 -2.478 1.00 0.00 C ATOM 112 N7 A A 16 -3.178 -0.598 -2.456 1.00 0.00 N ATOM 113 C5 A A 16 -2.930 -0.315 -1.115 1.00 0.00 C ATOM 114 C6 A A 16 -1.751 -0.160 -0.387 1.00 0.00 C ATOM 115 N6 A A 16 -0.540 -0.325 -0.927 1.00 0.00 N ATOM 116 N1 A A 16 -1.874 0.128 0.924 1.00 0.00 N ATOM 117 C2 A A 16 -3.089 0.248 1.474 1.00 0.00 C ATOM 118 N3 A A 16 -4.257 0.112 0.875 1.00 0.00 N ATOM 119 C4 A A 16 -4.108 -0.169 -0.423 1.00 0.00 C ATOM 0 H5' A A 16 -8.863 -1.263 -4.316 1.00 0.00 H new ATOM 0 H5'' A A 16 -9.194 0.452 -4.457 1.00 0.00 H new ATOM 0 H4' A A 16 -9.249 -0.255 -2.182 1.00 0.00 H new ATOM 0 H3' A A 16 -6.948 1.623 -2.970 1.00 0.00 H new ATOM 0 H2' A A 16 -6.393 1.717 -0.528 1.00 0.00 H new ATOM 0 HO2' A A 16 -9.012 1.237 -0.299 1.00 0.00 H new ATOM 0 H1' A A 16 -6.654 -0.990 -0.093 1.00 0.00 H new ATOM 0 H8 A A 16 -5.008 -0.788 -3.394 1.00 0.00 H new ATOM 0 H61 A A 16 0.295 -0.201 -0.354 1.00 0.00 H new ATOM 0 H62 A A 16 -0.451 -0.575 -1.912 1.00 0.00 H new ATOM 0 H2 A A 16 -3.116 0.483 2.528 1.00 0.00 H new ATOM 131 P C A 17 -8.386 3.774 -2.187 1.00 0.00 P ATOM 132 OP1 C A 17 -9.643 4.527 -1.977 1.00 0.00 O ATOM 133 OP2 C A 17 -7.561 4.034 -3.388 1.00 0.00 O ATOM 134 O5' C A 17 -7.458 3.965 -0.884 1.00 0.00 O ATOM 135 C5' C A 17 -7.977 3.686 0.418 1.00 0.00 C ATOM 136 C4' C A 17 -6.916 3.837 1.505 1.00 0.00 C ATOM 137 O4' C A 17 -5.894 2.848 1.416 1.00 0.00 O ATOM 138 C3' C A 17 -6.184 5.155 1.392 1.00 0.00 C ATOM 139 O3' C A 17 -6.941 6.155 2.076 1.00 0.00 O ATOM 140 C2' C A 17 -4.921 4.881 2.182 1.00 0.00 C ATOM 141 O2' C A 17 -5.128 5.078 3.586 1.00 0.00 O ATOM 142 C1' C A 17 -4.647 3.416 1.860 1.00 0.00 C ATOM 143 N1 C A 17 -3.623 3.288 0.815 1.00 0.00 N ATOM 144 C2 C A 17 -2.304 3.240 1.214 1.00 0.00 C ATOM 145 O2 C A 17 -2.020 3.331 2.406 1.00 0.00 O ATOM 146 N3 C A 17 -1.347 3.094 0.254 1.00 0.00 N ATOM 147 C4 C A 17 -1.689 3.000 -1.041 1.00 0.00 C ATOM 148 N4 C A 17 -0.739 2.847 -1.963 1.00 0.00 N ATOM 149 C5 C A 17 -3.058 3.056 -1.440 1.00 0.00 C ATOM 150 C6 C A 17 -3.977 3.199 -0.490 1.00 0.00 C ATOM 0 H5' C A 17 -8.375 2.671 0.439 1.00 0.00 H new ATOM 0 H5'' C A 17 -8.808 4.359 0.628 1.00 0.00 H new ATOM 0 H4' C A 17 -7.472 3.750 2.438 1.00 0.00 H new ATOM 0 H3' C A 17 -6.013 5.491 0.369 1.00 0.00 H new ATOM 0 H2' C A 17 -4.095 5.545 1.926 1.00 0.00 H new ATOM 0 HO2' C A 17 -6.035 5.415 3.739 1.00 0.00 H new ATOM 0 H1' C A 17 -4.268 2.895 2.739 1.00 0.00 H new ATOM 0 H41 C A 17 -0.992 2.775 -2.949 1.00 0.00 H new ATOM 0 H42 C A 17 0.241 2.802 -1.683 1.00 0.00 H new ATOM 0 H5 C A 17 -3.339 2.984 -2.480 1.00 0.00 H new ATOM 0 H6 C A 17 -5.021 3.245 -0.762 1.00 0.00 H new ATOM 162 P U A 18 -6.852 7.696 1.624 1.00 0.00 P ATOM 163 OP1 U A 18 -7.680 8.500 2.551 1.00 0.00 O ATOM 164 OP2 U A 18 -7.095 7.767 0.166 1.00 0.00 O ATOM 165 O5' U A 18 -5.306 8.047 1.897 1.00 0.00 O ATOM 166 C5' U A 18 -4.751 7.932 3.210 1.00 0.00 C ATOM 167 C4' U A 18 -3.260 8.244 3.210 1.00 0.00 C ATOM 168 O4' U A 18 -2.505 7.173 2.647 1.00 0.00 O ATOM 169 C3' U A 18 -2.972 9.457 2.341 1.00 0.00 C ATOM 170 O3' U A 18 -2.745 10.582 3.194 1.00 0.00 O ATOM 171 C2' U A 18 -1.677 9.150 1.616 1.00 0.00 C ATOM 172 O2' U A 18 -0.616 10.001 2.052 1.00 0.00 O ATOM 173 C1' U A 18 -1.377 7.694 1.932 1.00 0.00 C ATOM 174 N1 U A 18 -1.145 6.958 0.683 1.00 0.00 N ATOM 175 C2 U A 18 0.165 6.776 0.289 1.00 0.00 C ATOM 176 O2 U A 18 1.111 7.190 0.953 1.00 0.00 O ATOM 177 N3 U A 18 0.351 6.104 -0.904 1.00 0.00 N ATOM 178 C4 U A 18 -0.648 5.601 -1.721 1.00 0.00 C ATOM 179 O4 U A 18 -0.361 5.018 -2.765 1.00 0.00 O ATOM 180 C5 U A 18 -1.990 5.838 -1.227 1.00 0.00 C ATOM 181 C6 U A 18 -2.193 6.501 -0.062 1.00 0.00 C ATOM 0 H5' U A 18 -4.914 6.923 3.589 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.267 8.613 3.886 1.00 0.00 H new ATOM 0 H4' U A 18 -2.980 8.414 4.250 1.00 0.00 H new ATOM 0 H3' U A 18 -3.791 9.670 1.655 1.00 0.00 H new ATOM 0 H2' U A 18 -1.770 9.323 0.544 1.00 0.00 H new ATOM 0 HO2' U A 18 0.220 9.729 1.619 1.00 0.00 H new ATOM 0 H1' U A 18 -0.479 7.593 2.541 1.00 0.00 H new ATOM 0 H3 U A 18 1.314 5.965 -1.212 1.00 0.00 H new ATOM 0 H5 U A 18 -2.838 5.482 -1.794 1.00 0.00 H new ATOM 0 H6 U A 18 -3.202 6.671 0.283 1.00 0.00 H new ATOM 192 P G A 19 -2.622 12.064 2.575 1.00 0.00 P ATOM 193 OP1 G A 19 -2.897 13.042 3.651 1.00 0.00 O ATOM 194 OP2 G A 19 -3.396 12.110 1.316 1.00 0.00 O ATOM 195 O5' G A 19 -1.051 12.135 2.211 1.00 0.00 O ATOM 196 C5' G A 19 -0.080 12.088 3.264 1.00 0.00 C ATOM 197 C4' G A 19 1.343 11.846 2.754 1.00 0.00 C ATOM 198 O4' G A 19 1.510 10.532 2.236 1.00 0.00 O ATOM 199 C3' G A 19 1.705 12.748 1.594 1.00 0.00 C ATOM 200 O3' G A 19 2.038 14.071 2.034 1.00 0.00 O ATOM 201 C2' G A 19 2.916 12.018 1.026 1.00 0.00 C ATOM 202 O2' G A 19 4.121 12.402 1.698 1.00 0.00 O ATOM 203 C1' G A 19 2.580 10.548 1.278 1.00 0.00 C ATOM 204 N9 G A 19 2.188 9.890 0.020 1.00 0.00 N ATOM 205 C8 G A 19 0.956 9.616 -0.456 1.00 0.00 C ATOM 206 N7 G A 19 0.869 9.000 -1.585 1.00 0.00 N ATOM 207 C5 G A 19 2.214 8.841 -1.924 1.00 0.00 C ATOM 208 C6 G A 19 2.796 8.233 -3.064 1.00 0.00 C ATOM 209 O6 G A 19 2.231 7.700 -4.017 1.00 0.00 O ATOM 210 N1 G A 19 4.182 8.285 -3.016 1.00 0.00 N ATOM 211 C2 G A 19 4.922 8.855 -2.000 1.00 0.00 C ATOM 212 N2 G A 19 6.247 8.825 -2.149 1.00 0.00 N ATOM 213 N3 G A 19 4.382 9.429 -0.920 1.00 0.00 N ATOM 214 C4 G A 19 3.031 9.386 -0.945 1.00 0.00 C ATOM 0 H5' G A 19 -0.349 11.297 3.964 1.00 0.00 H new ATOM 0 H5'' G A 19 -0.107 13.026 3.818 1.00 0.00 H new ATOM 0 H4' G A 19 1.970 12.032 3.626 1.00 0.00 H new ATOM 0 H3' G A 19 0.899 12.904 0.877 1.00 0.00 H new ATOM 0 H2' G A 19 3.097 12.242 -0.025 1.00 0.00 H new ATOM 0 HO2' G A 19 3.982 13.257 2.156 1.00 0.00 H new ATOM 0 HO3' G A 19 2.268 14.625 1.259 1.00 0.00 H new ATOM 0 H1' G A 19 3.441 10.000 1.661 1.00 0.00 H new ATOM 0 H8 G A 19 0.071 9.904 0.091 1.00 0.00 H new ATOM 0 H1 G A 19 4.695 7.869 -3.793 1.00 0.00 H new ATOM 0 H21 G A 19 6.850 9.230 -1.433 1.00 0.00 H new ATOM 0 H22 G A 19 6.657 8.397 -2.979 1.00 0.00 H new TER 227 G A 19 ATOM 228 O5' C B 59 8.618 4.602 -8.126 1.00 0.00 O ATOM 229 C5' C B 59 10.039 4.489 -8.130 1.00 0.00 C ATOM 230 C4' C B 59 10.692 5.352 -7.044 1.00 0.00 C ATOM 231 O4' C B 59 10.279 6.729 -7.147 1.00 0.00 O ATOM 232 C3' C B 59 10.270 4.909 -5.646 1.00 0.00 C ATOM 233 O3' C B 59 11.276 4.045 -5.113 1.00 0.00 O ATOM 234 C2' C B 59 10.296 6.209 -4.866 1.00 0.00 C ATOM 235 O2' C B 59 11.629 6.580 -4.496 1.00 0.00 O ATOM 236 C1' C B 59 9.716 7.156 -5.892 1.00 0.00 C ATOM 237 N1 C B 59 8.247 7.052 -5.912 1.00 0.00 N ATOM 238 C2 C B 59 7.532 7.642 -4.882 1.00 0.00 C ATOM 239 O2 C B 59 8.121 8.255 -3.994 1.00 0.00 O ATOM 240 N3 C B 59 6.175 7.511 -4.886 1.00 0.00 N ATOM 241 C4 C B 59 5.554 6.827 -5.861 1.00 0.00 C ATOM 242 N4 C B 59 4.224 6.720 -5.844 1.00 0.00 N ATOM 243 C5 C B 59 6.300 6.221 -6.918 1.00 0.00 C ATOM 244 C6 C B 59 7.626 6.365 -6.900 1.00 0.00 C ATOM 0 H5' C B 59 10.422 4.785 -9.106 1.00 0.00 H new ATOM 0 H5'' C B 59 10.319 3.446 -7.980 1.00 0.00 H new ATOM 0 H4' C B 59 11.766 5.241 -7.192 1.00 0.00 H new ATOM 0 H3' C B 59 9.313 4.388 -5.618 1.00 0.00 H new ATOM 0 H2' C B 59 9.759 6.181 -3.918 1.00 0.00 H new ATOM 0 HO2' C B 59 12.249 5.863 -4.746 1.00 0.00 H new ATOM 0 HO5' C B 59 8.362 5.503 -7.837 1.00 0.00 H new ATOM 0 H1' C B 59 9.950 8.198 -5.675 1.00 0.00 H new ATOM 0 H41 C B 59 3.745 6.202 -6.581 1.00 0.00 H new ATOM 0 H42 C B 59 3.687 7.156 -5.094 1.00 0.00 H new ATOM 0 H5 C B 59 5.808 5.666 -7.703 1.00 0.00 H new ATOM 0 H6 C B 59 8.217 5.925 -7.690 1.00 0.00 H new ATOM 257 P A B 60 10.889 2.934 -4.016 1.00 0.00 P ATOM 258 OP1 A B 60 12.129 2.243 -3.597 1.00 0.00 O ATOM 259 OP2 A B 60 9.746 2.149 -4.533 1.00 0.00 O ATOM 260 O5' A B 60 10.369 3.829 -2.782 1.00 0.00 O ATOM 261 C5' A B 60 11.238 4.777 -2.159 1.00 0.00 C ATOM 262 C4' A B 60 10.524 5.562 -1.063 1.00 0.00 C ATOM 263 O4' A B 60 9.594 6.516 -1.597 1.00 0.00 O ATOM 264 C3' A B 60 9.682 4.651 -0.193 1.00 0.00 C ATOM 265 O3' A B 60 10.510 4.096 0.835 1.00 0.00 O ATOM 266 C2' A B 60 8.718 5.644 0.422 1.00 0.00 C ATOM 267 O2' A B 60 9.332 6.385 1.484 1.00 0.00 O ATOM 268 C1' A B 60 8.409 6.537 -0.774 1.00 0.00 C ATOM 269 N9 A B 60 7.228 6.043 -1.516 1.00 0.00 N ATOM 270 C8 A B 60 7.153 5.282 -2.639 1.00 0.00 C ATOM 271 N7 A B 60 5.975 4.979 -3.075 1.00 0.00 N ATOM 272 C5 A B 60 5.155 5.610 -2.135 1.00 0.00 C ATOM 273 C6 A B 60 3.764 5.698 -1.994 1.00 0.00 C ATOM 274 N6 A B 60 2.907 5.113 -2.838 1.00 0.00 N ATOM 275 N1 A B 60 3.291 6.407 -0.952 1.00 0.00 N ATOM 276 C2 A B 60 4.134 6.996 -0.098 1.00 0.00 C ATOM 277 N3 A B 60 5.461 6.973 -0.135 1.00 0.00 N ATOM 278 C4 A B 60 5.910 6.260 -1.186 1.00 0.00 C ATOM 0 H5' A B 60 11.622 5.467 -2.910 1.00 0.00 H new ATOM 0 H5'' A B 60 12.097 4.258 -1.734 1.00 0.00 H new ATOM 0 H4' A B 60 11.321 6.051 -0.503 1.00 0.00 H new ATOM 0 H3' A B 60 9.207 3.822 -0.718 1.00 0.00 H new ATOM 0 H2' A B 60 7.840 5.189 0.880 1.00 0.00 H new ATOM 0 HO2' A B 60 10.155 5.933 1.766 1.00 0.00 H new ATOM 0 H1' A B 60 8.164 7.552 -0.462 1.00 0.00 H new ATOM 0 H8 A B 60 8.044 4.943 -3.148 1.00 0.00 H new ATOM 0 H61 A B 60 1.902 5.207 -2.691 1.00 0.00 H new ATOM 0 H62 A B 60 3.258 4.573 -3.628 1.00 0.00 H new ATOM 0 H2 A B 60 3.686 7.552 0.712 1.00 0.00 H new ATOM 290 P G B 61 10.346 2.548 1.256 1.00 0.00 P ATOM 291 OP1 G B 61 11.505 2.170 2.094 1.00 0.00 O ATOM 292 OP2 G B 61 10.031 1.767 0.039 1.00 0.00 O ATOM 293 O5' G B 61 9.037 2.574 2.190 1.00 0.00 O ATOM 294 C5' G B 61 9.108 3.107 3.513 1.00 0.00 C ATOM 295 C4' G B 61 7.720 3.330 4.104 1.00 0.00 C ATOM 296 O4' G B 61 6.961 4.229 3.295 1.00 0.00 O ATOM 297 C3' G B 61 6.907 2.047 4.143 1.00 0.00 C ATOM 298 O3' G B 61 7.083 1.423 5.418 1.00 0.00 O ATOM 299 C2' G B 61 5.473 2.528 4.050 1.00 0.00 C ATOM 300 O2' G B 61 4.899 2.733 5.345 1.00 0.00 O ATOM 301 C1' G B 61 5.582 3.828 3.272 1.00 0.00 C ATOM 302 N9 G B 61 5.093 3.618 1.900 1.00 0.00 N ATOM 303 C8 G B 61 5.771 3.373 0.751 1.00 0.00 C ATOM 304 N7 G B 61 5.078 3.188 -0.323 1.00 0.00 N ATOM 305 C5 G B 61 3.772 3.317 0.159 1.00 0.00 C ATOM 306 C6 G B 61 2.533 3.217 -0.525 1.00 0.00 C ATOM 307 O6 G B 61 2.335 2.993 -1.717 1.00 0.00 O ATOM 308 N1 G B 61 1.462 3.411 0.339 1.00 0.00 N ATOM 309 C2 G B 61 1.566 3.668 1.690 1.00 0.00 C ATOM 310 N2 G B 61 0.422 3.811 2.352 1.00 0.00 N ATOM 311 N3 G B 61 2.724 3.765 2.337 1.00 0.00 N ATOM 312 C4 G B 61 3.779 3.580 1.518 1.00 0.00 C ATOM 0 H5' G B 61 9.653 4.051 3.497 1.00 0.00 H new ATOM 0 H5'' G B 61 9.670 2.425 4.151 1.00 0.00 H new ATOM 0 H4' G B 61 7.889 3.720 5.108 1.00 0.00 H new ATOM 0 H3' G B 61 7.187 1.341 3.361 1.00 0.00 H new ATOM 0 H2' G B 61 4.817 1.803 3.567 1.00 0.00 H new ATOM 0 HO2' G B 61 3.933 2.573 5.304 1.00 0.00 H new ATOM 0 H1' G B 61 4.973 4.616 3.715 1.00 0.00 H new ATOM 0 H8 G B 61 6.850 3.334 0.735 1.00 0.00 H new ATOM 0 H1 G B 61 0.524 3.359 -0.058 1.00 0.00 H new ATOM 0 H21 G B 61 0.433 4.002 3.354 1.00 0.00 H new ATOM 0 H22 G B 61 -0.467 3.729 1.858 1.00 0.00 H new ATOM 324 P U B 62 6.536 -0.072 5.675 1.00 0.00 P ATOM 325 OP1 U B 62 7.253 -0.639 6.839 1.00 0.00 O ATOM 326 OP2 U B 62 6.529 -0.796 4.385 1.00 0.00 O ATOM 327 O5' U B 62 5.007 0.211 6.108 1.00 0.00 O ATOM 328 C5' U B 62 4.743 0.878 7.345 1.00 0.00 C ATOM 329 C4' U B 62 3.306 1.391 7.451 1.00 0.00 C ATOM 330 O4' U B 62 2.974 2.250 6.353 1.00 0.00 O ATOM 331 C3' U B 62 2.266 0.285 7.382 1.00 0.00 C ATOM 332 O3' U B 62 2.055 -0.266 8.683 1.00 0.00 O ATOM 333 C2' U B 62 1.039 1.083 7.005 1.00 0.00 C ATOM 334 O2' U B 62 0.538 1.844 8.112 1.00 0.00 O ATOM 335 C1' U B 62 1.623 1.976 5.930 1.00 0.00 C ATOM 336 N1 U B 62 1.602 1.283 4.638 1.00 0.00 N ATOM 337 C2 U B 62 0.401 1.215 3.958 1.00 0.00 C ATOM 338 O2 U B 62 -0.641 1.668 4.424 1.00 0.00 O ATOM 339 N3 U B 62 0.438 0.586 2.726 1.00 0.00 N ATOM 340 C4 U B 62 1.560 0.034 2.130 1.00 0.00 C ATOM 341 O4 U B 62 1.490 -0.484 1.018 1.00 0.00 O ATOM 342 C5 U B 62 2.766 0.151 2.926 1.00 0.00 C ATOM 343 C6 U B 62 2.744 0.754 4.131 1.00 0.00 C ATOM 0 H5' U B 62 5.431 1.716 7.454 1.00 0.00 H new ATOM 0 H5'' U B 62 4.941 0.194 8.170 1.00 0.00 H new ATOM 0 H4' U B 62 3.280 1.899 8.415 1.00 0.00 H new ATOM 0 H3' U B 62 2.526 -0.537 6.715 1.00 0.00 H new ATOM 0 H2' U B 62 0.183 0.485 6.690 1.00 0.00 H new ATOM 0 HO2' U B 62 0.888 1.473 8.949 1.00 0.00 H new ATOM 0 H1' U B 62 1.056 2.898 5.801 1.00 0.00 H new ATOM 0 H3 U B 62 -0.440 0.523 2.210 1.00 0.00 H new ATOM 0 H5 U B 62 3.695 -0.251 2.548 1.00 0.00 H new ATOM 0 H6 U B 62 3.656 0.818 4.706 1.00 0.00 H new ATOM 354 P G B 63 1.467 -1.758 8.834 1.00 0.00 P ATOM 355 OP1 G B 63 1.250 -2.028 10.273 1.00 0.00 O ATOM 356 OP2 G B 63 2.313 -2.671 8.031 1.00 0.00 O ATOM 357 O5' G B 63 0.025 -1.645 8.117 1.00 0.00 O ATOM 358 C5' G B 63 -0.990 -0.792 8.653 1.00 0.00 C ATOM 359 C4' G B 63 -2.317 -0.939 7.908 1.00 0.00 C ATOM 360 O4' G B 63 -2.311 -0.255 6.650 1.00 0.00 O ATOM 361 C3' G B 63 -2.609 -2.386 7.559 1.00 0.00 C ATOM 362 O3' G B 63 -3.290 -2.983 8.665 1.00 0.00 O ATOM 363 C2' G B 63 -3.582 -2.238 6.404 1.00 0.00 C ATOM 364 O2' G B 63 -4.911 -1.968 6.863 1.00 0.00 O ATOM 365 C1' G B 63 -2.997 -1.054 5.665 1.00 0.00 C ATOM 366 N9 G B 63 -2.071 -1.504 4.610 1.00 0.00 N ATOM 367 C8 G B 63 -0.720 -1.564 4.619 1.00 0.00 C ATOM 368 N7 G B 63 -0.127 -1.931 3.537 1.00 0.00 N ATOM 369 C5 G B 63 -1.209 -2.159 2.686 1.00 0.00 C ATOM 370 C6 G B 63 -1.224 -2.589 1.337 1.00 0.00 C ATOM 371 O6 G B 63 -0.267 -2.849 0.611 1.00 0.00 O ATOM 372 N1 G B 63 -2.519 -2.696 0.853 1.00 0.00 N ATOM 373 C2 G B 63 -3.665 -2.428 1.572 1.00 0.00 C ATOM 374 N2 G B 63 -4.820 -2.617 0.935 1.00 0.00 N ATOM 375 N3 G B 63 -3.660 -2.017 2.845 1.00 0.00 N ATOM 376 C4 G B 63 -2.407 -1.904 3.337 1.00 0.00 C ATOM 0 H5' G B 63 -0.657 0.245 8.599 1.00 0.00 H new ATOM 0 H5'' G B 63 -1.139 -1.025 9.707 1.00 0.00 H new ATOM 0 H4' G B 63 -3.061 -0.523 8.588 1.00 0.00 H new ATOM 0 H3' G B 63 -1.730 -2.988 7.328 1.00 0.00 H new ATOM 0 H2' G B 63 -3.684 -3.136 5.794 1.00 0.00 H new ATOM 0 HO2' G B 63 -4.933 -2.005 7.842 1.00 0.00 H new ATOM 0 H1' G B 63 -3.776 -0.474 5.170 1.00 0.00 H new ATOM 0 H8 G B 63 -0.157 -1.312 5.505 1.00 0.00 H new ATOM 0 H1 G B 63 -2.633 -2.998 -0.115 1.00 0.00 H new ATOM 0 H21 G B 63 -5.702 -2.436 1.414 1.00 0.00 H new ATOM 0 H22 G B 63 -4.822 -2.943 -0.032 1.00 0.00 H new ATOM 388 P U B 64 -2.964 -4.495 9.099 1.00 0.00 P ATOM 389 OP1 U B 64 -3.596 -4.747 10.413 1.00 0.00 O ATOM 390 OP2 U B 64 -1.514 -4.727 8.918 1.00 0.00 O ATOM 391 O5' U B 64 -3.755 -5.343 7.987 1.00 0.00 O ATOM 392 C5' U B 64 -5.162 -5.172 7.817 1.00 0.00 C ATOM 393 C4' U B 64 -5.665 -5.903 6.580 1.00 0.00 C ATOM 394 O4' U B 64 -5.443 -5.150 5.383 1.00 0.00 O ATOM 395 C3' U B 64 -4.908 -7.198 6.372 1.00 0.00 C ATOM 396 O3' U B 64 -5.560 -8.235 7.110 1.00 0.00 O ATOM 397 C2' U B 64 -5.114 -7.447 4.893 1.00 0.00 C ATOM 398 O2' U B 64 -6.372 -8.081 4.638 1.00 0.00 O ATOM 399 C1' U B 64 -5.072 -6.043 4.318 1.00 0.00 C ATOM 400 N1 U B 64 -3.738 -5.711 3.780 1.00 0.00 N ATOM 401 C2 U B 64 -3.550 -5.877 2.420 1.00 0.00 C ATOM 402 O2 U B 64 -4.436 -6.313 1.689 1.00 0.00 O ATOM 403 N3 U B 64 -2.305 -5.531 1.929 1.00 0.00 N ATOM 404 C4 U B 64 -1.243 -5.043 2.673 1.00 0.00 C ATOM 405 O4 U B 64 -0.175 -4.765 2.133 1.00 0.00 O ATOM 406 C5 U B 64 -1.527 -4.907 4.087 1.00 0.00 C ATOM 407 C6 U B 64 -2.739 -5.235 4.588 1.00 0.00 C ATOM 0 H5' U B 64 -5.393 -4.110 7.733 1.00 0.00 H new ATOM 0 H5'' U B 64 -5.684 -5.544 8.699 1.00 0.00 H new ATOM 0 H4' U B 64 -6.729 -6.066 6.754 1.00 0.00 H new ATOM 0 H3' U B 64 -3.863 -7.165 6.682 1.00 0.00 H new ATOM 0 H2' U B 64 -4.373 -8.117 4.458 1.00 0.00 H new ATOM 0 HO2' U B 64 -6.782 -8.348 5.487 1.00 0.00 H new ATOM 0 H1' U B 64 -5.760 -5.955 3.477 1.00 0.00 H new ATOM 0 H3 U B 64 -2.154 -5.646 0.927 1.00 0.00 H new ATOM 0 H5 U B 64 -0.759 -4.538 4.751 1.00 0.00 H new ATOM 0 H6 U B 64 -2.923 -5.120 5.646 1.00 0.00 H new ATOM 418 P C B 65 -4.689 -9.355 7.872 1.00 0.00 P ATOM 419 OP1 C B 65 -5.580 -10.078 8.807 1.00 0.00 O ATOM 420 OP2 C B 65 -3.453 -8.716 8.377 1.00 0.00 O ATOM 421 O5' C B 65 -4.288 -10.357 6.679 1.00 0.00 O ATOM 422 C5' C B 65 -5.304 -11.069 5.970 1.00 0.00 C ATOM 423 C4' C B 65 -4.744 -11.802 4.755 1.00 0.00 C ATOM 424 O4' C B 65 -4.547 -10.920 3.654 1.00 0.00 O ATOM 425 C3' C B 65 -3.382 -12.406 5.044 1.00 0.00 C ATOM 426 O3' C B 65 -3.496 -13.686 5.677 1.00 0.00 O ATOM 427 C2' C B 65 -2.795 -12.522 3.648 1.00 0.00 C ATOM 428 O2' C B 65 -3.222 -13.726 2.998 1.00 0.00 O ATOM 429 C1' C B 65 -3.351 -11.283 2.951 1.00 0.00 C ATOM 430 N1 C B 65 -2.383 -10.184 2.987 1.00 0.00 N ATOM 431 C2 C B 65 -1.564 -10.009 1.888 1.00 0.00 C ATOM 432 O2 C B 65 -1.642 -10.777 0.931 1.00 0.00 O ATOM 433 N3 C B 65 -0.685 -8.968 1.899 1.00 0.00 N ATOM 434 C4 C B 65 -0.623 -8.136 2.948 1.00 0.00 C ATOM 435 N4 C B 65 0.267 -7.142 2.942 1.00 0.00 N ATOM 436 C5 C B 65 -1.478 -8.320 4.082 1.00 0.00 C ATOM 437 C6 C B 65 -2.327 -9.355 4.058 1.00 0.00 C ATOM 0 H5' C B 65 -6.078 -10.372 5.648 1.00 0.00 H new ATOM 0 H5'' C B 65 -5.779 -11.786 6.639 1.00 0.00 H new ATOM 0 H4' C B 65 -5.478 -12.573 4.520 1.00 0.00 H new ATOM 0 H3' C B 65 -2.774 -11.817 5.731 1.00 0.00 H new ATOM 0 H2' C B 65 -1.706 -12.572 3.639 1.00 0.00 H new ATOM 0 HO2' C B 65 -3.388 -14.419 3.670 1.00 0.00 H new ATOM 0 HO3' C B 65 -2.601 -14.047 5.847 1.00 0.00 H new ATOM 0 H1' C B 65 -3.557 -11.490 1.901 1.00 0.00 H new ATOM 0 H41 C B 65 0.323 -6.503 3.735 1.00 0.00 H new ATOM 0 H42 C B 65 0.891 -7.021 2.144 1.00 0.00 H new ATOM 0 H5 C B 65 -1.439 -7.648 4.926 1.00 0.00 H new ATOM 0 H6 C B 65 -2.976 -9.532 4.903 1.00 0.00 H new TER 450 C B 65