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 -21:sc= 0.0103 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot -15:sc= 0.00617 USER MOD Single : A 3 G O2' : rot -21:sc= 0.0164 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -20:sc= 0.0466 USER MOD Single : A 6 C O2' : rot -16:sc= 0.0683 USER MOD Single : A 7 A O2' : rot -14:sc= 0.588 USER MOD Single : A 8 U O2' : rot 16:sc= 0.0566 USER MOD Single : A 9 A O2' : rot 123:sc= 0.888 USER MOD Single : A 10 G O2' : rot 143:sc= 0.346 USER MOD Single : A 11 U O2' : rot -29:sc= 0.015 USER MOD Single : A 12 C O2' : rot -17:sc= 0.0239 USER MOD Single : A 13 U O2' : rot -118:sc= 0.163 USER MOD Single : A 14 U O2' : rot -120:sc= 0.0148 USER MOD Single : A 15 C O2' : rot -21:sc= 0.0252 USER MOD Single : A 15 C O3' : rot 180:sc= 0.0175 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -2.994 -8.831 13.101 1.00 0.00 O ATOM 2 C5' G A 1 -2.216 -7.984 12.278 1.00 0.00 C ATOM 3 C4' G A 1 -0.976 -8.724 11.752 1.00 0.00 C ATOM 4 O4' G A 1 -1.331 -9.828 10.922 1.00 0.00 O ATOM 5 C3' G A 1 -0.082 -7.830 10.887 1.00 0.00 C ATOM 6 O3' G A 1 0.749 -6.971 11.660 1.00 0.00 O ATOM 7 C2' G A 1 0.678 -8.888 10.080 1.00 0.00 C ATOM 8 O2' G A 1 1.736 -9.503 10.801 1.00 0.00 O ATOM 9 C1' G A 1 -0.430 -9.910 9.818 1.00 0.00 C ATOM 10 N9 G A 1 -1.140 -9.652 8.533 1.00 0.00 N ATOM 11 C8 G A 1 -2.383 -9.104 8.320 1.00 0.00 C ATOM 12 N7 G A 1 -2.734 -9.029 7.067 1.00 0.00 N ATOM 13 C5 G A 1 -1.649 -9.568 6.380 1.00 0.00 C ATOM 14 C6 G A 1 -1.436 -9.759 4.964 1.00 0.00 C ATOM 15 O6 G A 1 -2.191 -9.476 4.037 1.00 0.00 O ATOM 16 N1 G A 1 -0.199 -10.345 4.663 1.00 0.00 N ATOM 17 C2 G A 1 0.732 -10.705 5.627 1.00 0.00 C ATOM 18 N2 G A 1 1.865 -11.249 5.190 1.00 0.00 N ATOM 19 N3 G A 1 0.539 -10.531 6.953 1.00 0.00 N ATOM 20 C4 G A 1 -0.668 -9.957 7.274 1.00 0.00 C ATOM 0 H5' G A 1 -1.908 -7.104 12.842 1.00 0.00 H new ATOM 0 H5'' G A 1 -2.817 -7.631 11.440 1.00 0.00 H new ATOM 0 H4' G A 1 -0.449 -9.049 12.649 1.00 0.00 H new ATOM 0 H3' G A 1 -0.614 -7.111 10.264 1.00 0.00 H new ATOM 0 H2' G A 1 1.163 -8.469 9.199 1.00 0.00 H new ATOM 0 HO2' G A 1 2.000 -8.927 11.549 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.778 -8.341 13.427 1.00 0.00 H new ATOM 0 H1' G A 1 -0.004 -10.909 9.726 1.00 0.00 H new ATOM 0 H8 G A 1 -3.017 -8.763 9.125 1.00 0.00 H new ATOM 0 H1 G A 1 0.029 -10.516 3.684 1.00 0.00 H new ATOM 0 H21 G A 1 2.584 -11.532 5.855 1.00 0.00 H new ATOM 0 H22 G A 1 2.014 -11.383 4.190 1.00 0.00 H new ATOM 33 P A A 2 1.350 -5.589 11.066 1.00 0.00 P ATOM 34 OP1 A A 2 2.153 -4.950 12.132 1.00 0.00 O ATOM 35 OP2 A A 2 0.240 -4.838 10.437 1.00 0.00 O ATOM 36 O5' A A 2 2.345 -6.086 9.887 1.00 0.00 O ATOM 37 C5' A A 2 3.604 -6.684 10.158 1.00 0.00 C ATOM 38 C4' A A 2 4.263 -7.234 8.883 1.00 0.00 C ATOM 39 O4' A A 2 3.443 -8.187 8.216 1.00 0.00 O ATOM 40 C3' A A 2 4.579 -6.163 7.834 1.00 0.00 C ATOM 41 O3' A A 2 5.720 -5.389 8.181 1.00 0.00 O ATOM 42 C2' A A 2 4.747 -7.041 6.588 1.00 0.00 C ATOM 43 O2' A A 2 6.009 -7.688 6.511 1.00 0.00 O ATOM 44 C1' A A 2 3.638 -8.084 6.807 1.00 0.00 C ATOM 45 N9 A A 2 2.383 -7.671 6.115 1.00 0.00 N ATOM 46 C8 A A 2 1.220 -7.156 6.645 1.00 0.00 C ATOM 47 N7 A A 2 0.297 -6.887 5.765 1.00 0.00 N ATOM 48 C5 A A 2 0.879 -7.243 4.549 1.00 0.00 C ATOM 49 C6 A A 2 0.434 -7.218 3.193 1.00 0.00 C ATOM 50 N6 A A 2 -0.773 -6.787 2.817 1.00 0.00 N ATOM 51 N1 A A 2 1.264 -7.656 2.215 1.00 0.00 N ATOM 52 C2 A A 2 2.481 -8.098 2.556 1.00 0.00 C ATOM 53 N3 A A 2 3.017 -8.175 3.782 1.00 0.00 N ATOM 54 C4 A A 2 2.157 -7.727 4.756 1.00 0.00 C ATOM 0 H5' A A 2 3.475 -7.492 10.878 1.00 0.00 H new ATOM 0 H5'' A A 2 4.263 -5.949 10.619 1.00 0.00 H new ATOM 0 H4' A A 2 5.184 -7.681 9.257 1.00 0.00 H new ATOM 0 H3' A A 2 3.825 -5.386 7.710 1.00 0.00 H new ATOM 0 H2' A A 2 4.688 -6.466 5.664 1.00 0.00 H new ATOM 0 HO2' A A 2 6.630 -7.269 7.143 1.00 0.00 H new ATOM 0 H1' A A 2 3.920 -9.051 6.389 1.00 0.00 H new ATOM 0 H8 A A 2 1.084 -6.989 7.703 1.00 0.00 H new ATOM 0 H61 A A 2 -1.033 -6.794 1.831 1.00 0.00 H new ATOM 0 H62 A A 2 -1.435 -6.451 3.516 1.00 0.00 H new ATOM 0 H2 A A 2 3.108 -8.434 1.743 1.00 0.00 H new ATOM 66 P G A 3 5.953 -3.886 7.622 1.00 0.00 P ATOM 67 OP1 G A 3 7.157 -3.338 8.286 1.00 0.00 O ATOM 68 OP2 G A 3 4.673 -3.148 7.709 1.00 0.00 O ATOM 69 O5' G A 3 6.282 -4.125 6.056 1.00 0.00 O ATOM 70 C5' G A 3 7.522 -4.664 5.621 1.00 0.00 C ATOM 71 C4' G A 3 7.527 -4.931 4.109 1.00 0.00 C ATOM 72 O4' G A 3 6.484 -5.816 3.719 1.00 0.00 O ATOM 73 C3' G A 3 7.330 -3.682 3.244 1.00 0.00 C ATOM 74 O3' G A 3 8.490 -2.857 3.198 1.00 0.00 O ATOM 75 C2' G A 3 6.959 -4.341 1.911 1.00 0.00 C ATOM 76 O2' G A 3 8.077 -4.837 1.190 1.00 0.00 O ATOM 77 C1' G A 3 6.080 -5.508 2.386 1.00 0.00 C ATOM 78 N9 G A 3 4.634 -5.145 2.328 1.00 0.00 N ATOM 79 C8 G A 3 3.770 -4.828 3.352 1.00 0.00 C ATOM 80 N7 G A 3 2.553 -4.559 2.967 1.00 0.00 N ATOM 81 C5 G A 3 2.595 -4.698 1.583 1.00 0.00 C ATOM 82 C6 G A 3 1.561 -4.535 0.588 1.00 0.00 C ATOM 83 O6 G A 3 0.380 -4.235 0.748 1.00 0.00 O ATOM 84 N1 G A 3 2.009 -4.762 -0.718 1.00 0.00 N ATOM 85 C2 G A 3 3.312 -5.114 -1.033 1.00 0.00 C ATOM 86 N2 G A 3 3.577 -5.294 -2.325 1.00 0.00 N ATOM 87 N3 G A 3 4.284 -5.276 -0.110 1.00 0.00 N ATOM 88 C4 G A 3 3.872 -5.057 1.183 1.00 0.00 C ATOM 0 H5' G A 3 7.722 -5.593 6.155 1.00 0.00 H new ATOM 0 H5'' G A 3 8.327 -3.973 5.871 1.00 0.00 H new ATOM 0 H4' G A 3 8.519 -5.352 3.942 1.00 0.00 H new ATOM 0 H3' G A 3 6.584 -2.973 3.603 1.00 0.00 H new ATOM 0 H2' G A 3 6.488 -3.642 1.220 1.00 0.00 H new ATOM 0 HO2' G A 3 8.890 -4.384 1.496 1.00 0.00 H new ATOM 0 H1' G A 3 6.206 -6.376 1.739 1.00 0.00 H new ATOM 0 H8 G A 3 4.075 -4.804 4.388 1.00 0.00 H new ATOM 0 H1 G A 3 1.339 -4.663 -1.481 1.00 0.00 H new ATOM 0 H21 G A 3 4.518 -5.554 -2.621 1.00 0.00 H new ATOM 0 H22 G A 3 2.839 -5.172 -3.019 1.00 0.00 H new ATOM 100 P G A 4 8.412 -1.267 2.884 1.00 0.00 P ATOM 101 OP1 G A 4 9.777 -0.710 3.027 1.00 0.00 O ATOM 102 OP2 G A 4 7.301 -0.685 3.669 1.00 0.00 O ATOM 103 O5' G A 4 7.992 -1.216 1.321 1.00 0.00 O ATOM 104 C5' G A 4 8.905 -1.539 0.284 1.00 0.00 C ATOM 105 C4' G A 4 8.206 -1.652 -1.078 1.00 0.00 C ATOM 106 O4' G A 4 7.154 -2.613 -1.055 1.00 0.00 O ATOM 107 C3' G A 4 7.572 -0.353 -1.595 1.00 0.00 C ATOM 108 O3' G A 4 8.535 0.556 -2.119 1.00 0.00 O ATOM 109 C2' G A 4 6.605 -0.936 -2.636 1.00 0.00 C ATOM 110 O2' G A 4 7.222 -1.321 -3.857 1.00 0.00 O ATOM 111 C1' G A 4 6.092 -2.180 -1.902 1.00 0.00 C ATOM 112 N9 G A 4 4.849 -1.894 -1.127 1.00 0.00 N ATOM 113 C8 G A 4 4.675 -1.745 0.230 1.00 0.00 C ATOM 114 N7 G A 4 3.445 -1.520 0.597 1.00 0.00 N ATOM 115 C5 G A 4 2.731 -1.510 -0.598 1.00 0.00 C ATOM 116 C6 G A 4 1.325 -1.310 -0.848 1.00 0.00 C ATOM 117 O6 G A 4 0.429 -1.099 -0.035 1.00 0.00 O ATOM 118 N1 G A 4 0.989 -1.373 -2.207 1.00 0.00 N ATOM 119 C2 G A 4 1.914 -1.607 -3.213 1.00 0.00 C ATOM 120 N2 G A 4 1.444 -1.632 -4.458 1.00 0.00 N ATOM 121 N3 G A 4 3.231 -1.802 -2.987 1.00 0.00 N ATOM 122 C4 G A 4 3.587 -1.742 -1.661 1.00 0.00 C ATOM 0 H5' G A 4 9.401 -2.481 0.517 1.00 0.00 H new ATOM 0 H5'' G A 4 9.681 -0.775 0.232 1.00 0.00 H new ATOM 0 H4' G A 4 9.021 -1.940 -1.742 1.00 0.00 H new ATOM 0 H3' G A 4 7.085 0.269 -0.844 1.00 0.00 H new ATOM 0 H2' G A 4 5.852 -0.210 -2.943 1.00 0.00 H new ATOM 0 HO2' G A 4 6.545 -1.683 -4.466 1.00 0.00 H new ATOM 0 H1' G A 4 5.816 -2.961 -2.611 1.00 0.00 H new ATOM 0 H8 G A 4 5.492 -1.809 0.934 1.00 0.00 H new ATOM 0 H1 G A 4 0.013 -1.240 -2.470 1.00 0.00 H new ATOM 0 H21 G A 4 2.078 -1.800 -5.239 1.00 0.00 H new ATOM 0 H22 G A 4 0.450 -1.483 -4.631 1.00 0.00 H new ATOM 134 P A A 5 8.250 2.151 -2.252 1.00 0.00 P ATOM 135 OP1 A A 5 9.460 2.780 -2.825 1.00 0.00 O ATOM 136 OP2 A A 5 7.715 2.645 -0.965 1.00 0.00 O ATOM 137 O5' A A 5 7.057 2.249 -3.341 1.00 0.00 O ATOM 138 C5' A A 5 7.260 1.984 -4.722 1.00 0.00 C ATOM 139 C4' A A 5 5.926 1.954 -5.485 1.00 0.00 C ATOM 140 O4' A A 5 5.033 0.992 -4.941 1.00 0.00 O ATOM 141 C3' A A 5 5.174 3.288 -5.461 1.00 0.00 C ATOM 142 O3' A A 5 5.680 4.206 -6.423 1.00 0.00 O ATOM 143 C2' A A 5 3.742 2.822 -5.742 1.00 0.00 C ATOM 144 O2' A A 5 3.473 2.615 -7.120 1.00 0.00 O ATOM 145 C1' A A 5 3.698 1.484 -4.995 1.00 0.00 C ATOM 146 N9 A A 5 3.121 1.630 -3.628 1.00 0.00 N ATOM 147 C8 A A 5 3.741 1.572 -2.399 1.00 0.00 C ATOM 148 N7 A A 5 2.939 1.703 -1.380 1.00 0.00 N ATOM 149 C5 A A 5 1.685 1.864 -1.963 1.00 0.00 C ATOM 150 C6 A A 5 0.370 2.055 -1.442 1.00 0.00 C ATOM 151 N6 A A 5 0.095 2.121 -0.138 1.00 0.00 N ATOM 152 N1 A A 5 -0.669 2.190 -2.301 1.00 0.00 N ATOM 153 C2 A A 5 -0.426 2.133 -3.617 1.00 0.00 C ATOM 154 N3 A A 5 0.750 1.951 -4.231 1.00 0.00 N ATOM 155 C4 A A 5 1.788 1.822 -3.340 1.00 0.00 C ATOM 0 H5' A A 5 7.771 1.028 -4.840 1.00 0.00 H new ATOM 0 H5'' A A 5 7.909 2.748 -5.150 1.00 0.00 H new ATOM 0 H4' A A 5 6.214 1.710 -6.508 1.00 0.00 H new ATOM 0 H3' A A 5 5.268 3.850 -4.532 1.00 0.00 H new ATOM 0 H2' A A 5 3.002 3.560 -5.432 1.00 0.00 H new ATOM 0 HO2' A A 5 4.130 3.103 -7.659 1.00 0.00 H new ATOM 0 H1' A A 5 3.048 0.783 -5.519 1.00 0.00 H new ATOM 0 H8 A A 5 4.806 1.429 -2.289 1.00 0.00 H new ATOM 0 H61 A A 5 -0.866 2.259 0.174 1.00 0.00 H new ATOM 0 H62 A A 5 0.846 2.033 0.547 1.00 0.00 H new ATOM 0 H2 A A 5 -1.284 2.248 -4.262 1.00 0.00 H new ATOM 167 P C A 6 5.753 5.797 -6.139 1.00 0.00 P ATOM 168 OP1 C A 6 6.251 6.453 -7.368 1.00 0.00 O ATOM 169 OP2 C A 6 6.482 5.985 -4.864 1.00 0.00 O ATOM 170 O5' C A 6 4.195 6.207 -5.922 1.00 0.00 O ATOM 171 C5' C A 6 3.273 6.268 -7.006 1.00 0.00 C ATOM 172 C4' C A 6 1.814 6.414 -6.541 1.00 0.00 C ATOM 173 O4' C A 6 1.443 5.362 -5.664 1.00 0.00 O ATOM 174 C3' C A 6 1.510 7.706 -5.779 1.00 0.00 C ATOM 175 O3' C A 6 1.328 8.816 -6.656 1.00 0.00 O ATOM 176 C2' C A 6 0.231 7.310 -5.029 1.00 0.00 C ATOM 177 O2' C A 6 -0.947 7.473 -5.806 1.00 0.00 O ATOM 178 C1' C A 6 0.453 5.814 -4.747 1.00 0.00 C ATOM 179 N1 C A 6 0.826 5.572 -3.312 1.00 0.00 N ATOM 180 C2 C A 6 -0.194 5.638 -2.330 1.00 0.00 C ATOM 181 O2 C A 6 -1.361 5.896 -2.624 1.00 0.00 O ATOM 182 N3 C A 6 0.125 5.414 -1.019 1.00 0.00 N ATOM 183 C4 C A 6 1.383 5.126 -0.649 1.00 0.00 C ATOM 184 N4 C A 6 1.619 4.910 0.643 1.00 0.00 N ATOM 185 C5 C A 6 2.446 5.045 -1.622 1.00 0.00 C ATOM 186 C6 C A 6 2.128 5.277 -2.927 1.00 0.00 C ATOM 0 H5' C A 6 3.369 5.365 -7.609 1.00 0.00 H new ATOM 0 H5'' C A 6 3.530 7.110 -7.649 1.00 0.00 H new ATOM 0 H4' C A 6 1.253 6.405 -7.476 1.00 0.00 H new ATOM 0 H3' C A 6 2.311 8.047 -5.123 1.00 0.00 H new ATOM 0 H2' C A 6 0.077 7.931 -4.146 1.00 0.00 H new ATOM 0 HO2' C A 6 -0.753 8.043 -6.579 1.00 0.00 H new ATOM 0 H1' C A 6 -0.466 5.247 -4.894 1.00 0.00 H new ATOM 0 H41 C A 6 2.563 4.689 0.959 1.00 0.00 H new ATOM 0 H42 C A 6 0.856 4.966 1.317 1.00 0.00 H new ATOM 0 H5 C A 6 3.458 4.809 -1.327 1.00 0.00 H new ATOM 0 H6 C A 6 2.904 5.231 -3.677 1.00 0.00 H new ATOM 198 P A A 7 2.036 10.254 -6.422 1.00 0.00 P ATOM 199 OP1 A A 7 1.324 11.250 -7.254 1.00 0.00 O ATOM 200 OP2 A A 7 3.495 10.073 -6.587 1.00 0.00 O ATOM 201 O5' A A 7 1.761 10.604 -4.867 1.00 0.00 O ATOM 202 C5' A A 7 0.457 10.791 -4.336 1.00 0.00 C ATOM 203 C4' A A 7 0.466 10.727 -2.797 1.00 0.00 C ATOM 204 O4' A A 7 1.107 9.535 -2.354 1.00 0.00 O ATOM 205 C3' A A 7 1.198 11.911 -2.143 1.00 0.00 C ATOM 206 O3' A A 7 0.492 12.284 -0.966 1.00 0.00 O ATOM 207 C2' A A 7 2.583 11.315 -1.858 1.00 0.00 C ATOM 208 O2' A A 7 3.284 11.919 -0.783 1.00 0.00 O ATOM 209 C1' A A 7 2.241 9.853 -1.560 1.00 0.00 C ATOM 210 N9 A A 7 3.349 8.920 -1.892 1.00 0.00 N ATOM 211 C8 A A 7 3.952 8.720 -3.110 1.00 0.00 C ATOM 212 N7 A A 7 4.882 7.812 -3.110 1.00 0.00 N ATOM 213 C5 A A 7 4.912 7.358 -1.796 1.00 0.00 C ATOM 214 C6 A A 7 5.688 6.374 -1.111 1.00 0.00 C ATOM 215 N6 A A 7 6.631 5.635 -1.703 1.00 0.00 N ATOM 216 N1 A A 7 5.464 6.160 0.210 1.00 0.00 N ATOM 217 C2 A A 7 4.520 6.886 0.825 1.00 0.00 C ATOM 218 N3 A A 7 3.730 7.833 0.297 1.00 0.00 N ATOM 219 C4 A A 7 3.972 8.032 -1.039 1.00 0.00 C ATOM 0 H5' A A 7 -0.212 10.026 -4.730 1.00 0.00 H new ATOM 0 H5'' A A 7 0.065 11.755 -4.660 1.00 0.00 H new ATOM 0 H4' A A 7 -0.582 10.756 -2.498 1.00 0.00 H new ATOM 0 H3' A A 7 1.269 12.820 -2.740 1.00 0.00 H new ATOM 0 H2' A A 7 3.269 11.468 -2.691 1.00 0.00 H new ATOM 0 HO2' A A 7 2.849 12.764 -0.542 1.00 0.00 H new ATOM 0 H1' A A 7 2.054 9.740 -0.492 1.00 0.00 H new ATOM 0 H8 A A 7 3.676 9.273 -3.996 1.00 0.00 H new ATOM 0 H61 A A 7 7.154 4.946 -1.162 1.00 0.00 H new ATOM 0 H62 A A 7 6.828 5.760 -2.696 1.00 0.00 H new ATOM 0 H2 A A 7 4.378 6.683 1.876 1.00 0.00 H new ATOM 231 P U A 8 0.349 13.824 -0.507 1.00 0.00 P ATOM 232 OP1 U A 8 -0.479 14.540 -1.504 1.00 0.00 O ATOM 233 OP2 U A 8 1.699 14.326 -0.168 1.00 0.00 O ATOM 234 O5' U A 8 -0.487 13.671 0.862 1.00 0.00 O ATOM 235 C5' U A 8 -1.846 13.251 0.890 1.00 0.00 C ATOM 236 C4' U A 8 -2.254 12.801 2.301 1.00 0.00 C ATOM 237 O4' U A 8 -1.560 11.599 2.584 1.00 0.00 O ATOM 238 C3' U A 8 -1.912 13.824 3.412 1.00 0.00 C ATOM 239 O3' U A 8 -2.943 13.937 4.393 1.00 0.00 O ATOM 240 C2' U A 8 -0.625 13.221 3.994 1.00 0.00 C ATOM 241 O2' U A 8 -0.368 13.569 5.344 1.00 0.00 O ATOM 242 C1' U A 8 -0.857 11.722 3.803 1.00 0.00 C ATOM 243 N1 U A 8 0.416 10.934 3.768 1.00 0.00 N ATOM 244 C2 U A 8 0.750 10.131 4.880 1.00 0.00 C ATOM 245 O2 U A 8 0.058 10.041 5.894 1.00 0.00 O ATOM 246 N3 U A 8 1.942 9.405 4.795 1.00 0.00 N ATOM 247 C4 U A 8 2.819 9.412 3.711 1.00 0.00 C ATOM 248 O4 U A 8 3.842 8.734 3.745 1.00 0.00 O ATOM 249 C5 U A 8 2.406 10.267 2.605 1.00 0.00 C ATOM 250 C6 U A 8 1.248 10.984 2.657 1.00 0.00 C ATOM 0 H5' U A 8 -1.992 12.431 0.187 1.00 0.00 H new ATOM 0 H5'' U A 8 -2.490 14.068 0.565 1.00 0.00 H new ATOM 0 H4' U A 8 -3.338 12.684 2.302 1.00 0.00 H new ATOM 0 H3' U A 8 -1.802 14.845 3.047 1.00 0.00 H new ATOM 0 H2' U A 8 0.269 13.600 3.498 1.00 0.00 H new ATOM 0 HO2' U A 8 -1.186 13.923 5.752 1.00 0.00 H new ATOM 0 H1' U A 8 -1.415 11.315 4.646 1.00 0.00 H new ATOM 0 H3 U A 8 2.191 8.821 5.593 1.00 0.00 H new ATOM 0 H5 U A 8 3.030 10.334 1.726 1.00 0.00 H new ATOM 0 H6 U A 8 0.972 11.604 1.817 1.00 0.00 H new ATOM 261 P A A 9 -4.401 14.587 4.086 1.00 0.00 P ATOM 262 OP1 A A 9 -4.336 15.374 2.833 1.00 0.00 O ATOM 263 OP2 A A 9 -4.891 15.225 5.329 1.00 0.00 O ATOM 264 O5' A A 9 -5.282 13.262 3.801 1.00 0.00 O ATOM 265 C5' A A 9 -5.488 12.279 4.802 1.00 0.00 C ATOM 266 C4' A A 9 -5.918 10.939 4.186 1.00 0.00 C ATOM 267 O4' A A 9 -4.882 10.450 3.341 1.00 0.00 O ATOM 268 C3' A A 9 -6.151 9.887 5.287 1.00 0.00 C ATOM 269 O3' A A 9 -7.417 9.262 5.116 1.00 0.00 O ATOM 270 C2' A A 9 -4.961 8.944 5.097 1.00 0.00 C ATOM 271 O2' A A 9 -5.185 7.606 5.502 1.00 0.00 O ATOM 272 C1' A A 9 -4.658 9.077 3.604 1.00 0.00 C ATOM 273 N9 A A 9 -3.261 8.702 3.242 1.00 0.00 N ATOM 274 C8 A A 9 -2.294 8.136 4.039 1.00 0.00 C ATOM 275 N7 A A 9 -1.154 7.917 3.451 1.00 0.00 N ATOM 276 C5 A A 9 -1.367 8.369 2.153 1.00 0.00 C ATOM 277 C6 A A 9 -0.546 8.425 0.991 1.00 0.00 C ATOM 278 N6 A A 9 0.715 7.996 0.967 1.00 0.00 N ATOM 279 N1 A A 9 -1.050 8.933 -0.158 1.00 0.00 N ATOM 280 C2 A A 9 -2.314 9.371 -0.157 1.00 0.00 C ATOM 281 N3 A A 9 -3.192 9.370 0.857 1.00 0.00 N ATOM 282 C4 A A 9 -2.656 8.847 2.011 1.00 0.00 C ATOM 0 H5' A A 9 -6.251 12.622 5.501 1.00 0.00 H new ATOM 0 H5'' A A 9 -4.571 12.141 5.374 1.00 0.00 H new ATOM 0 H4' A A 9 -6.838 11.105 3.625 1.00 0.00 H new ATOM 0 H3' A A 9 -6.192 10.282 6.302 1.00 0.00 H new ATOM 0 H2' A A 9 -4.124 9.218 5.739 1.00 0.00 H new ATOM 0 HO2' A A 9 -5.016 7.003 4.748 1.00 0.00 H new ATOM 0 H1' A A 9 -5.280 8.401 3.017 1.00 0.00 H new ATOM 0 H8 A A 9 -2.468 7.891 5.076 1.00 0.00 H new ATOM 0 H61 A A 9 1.259 8.060 0.107 1.00 0.00 H new ATOM 0 H62 A A 9 1.136 7.604 1.809 1.00 0.00 H new ATOM 0 H2 A A 9 -2.673 9.777 -1.091 1.00 0.00 H new ATOM 294 P G A 10 -8.297 8.796 6.387 1.00 0.00 P ATOM 295 OP1 G A 10 -8.819 10.018 7.037 1.00 0.00 O ATOM 296 OP2 G A 10 -7.491 7.838 7.182 1.00 0.00 O ATOM 297 O5' G A 10 -9.556 8.011 5.739 1.00 0.00 O ATOM 298 C5' G A 10 -9.493 6.675 5.259 1.00 0.00 C ATOM 299 C4' G A 10 -8.980 6.555 3.811 1.00 0.00 C ATOM 300 O4' G A 10 -7.559 6.664 3.734 1.00 0.00 O ATOM 301 C3' G A 10 -9.346 5.177 3.220 1.00 0.00 C ATOM 302 O3' G A 10 -9.822 5.364 1.887 1.00 0.00 O ATOM 303 C2' G A 10 -7.993 4.455 3.263 1.00 0.00 C ATOM 304 O2' G A 10 -7.895 3.343 2.394 1.00 0.00 O ATOM 305 C1' G A 10 -7.070 5.621 2.906 1.00 0.00 C ATOM 306 N9 G A 10 -5.618 5.347 3.063 1.00 0.00 N ATOM 307 C8 G A 10 -4.928 4.829 4.132 1.00 0.00 C ATOM 308 N7 G A 10 -3.648 4.677 3.924 1.00 0.00 N ATOM 309 C5 G A 10 -3.456 5.124 2.618 1.00 0.00 C ATOM 310 C6 G A 10 -2.262 5.202 1.807 1.00 0.00 C ATOM 311 O6 G A 10 -1.110 4.888 2.104 1.00 0.00 O ATOM 312 N1 G A 10 -2.497 5.714 0.523 1.00 0.00 N ATOM 313 C2 G A 10 -3.748 6.112 0.074 1.00 0.00 C ATOM 314 N2 G A 10 -3.823 6.576 -1.170 1.00 0.00 N ATOM 315 N3 G A 10 -4.865 6.047 0.826 1.00 0.00 N ATOM 316 C4 G A 10 -4.664 5.543 2.089 1.00 0.00 C ATOM 0 H5' G A 10 -10.486 6.230 5.320 1.00 0.00 H new ATOM 0 H5'' G A 10 -8.843 6.094 5.914 1.00 0.00 H new ATOM 0 H4' G A 10 -9.449 7.368 3.257 1.00 0.00 H new ATOM 0 H3' G A 10 -10.129 4.626 3.741 1.00 0.00 H new ATOM 0 H2' G A 10 -7.766 3.970 4.213 1.00 0.00 H new ATOM 0 HO2' G A 10 -6.993 3.305 2.012 1.00 0.00 H new ATOM 0 H1' G A 10 -7.103 5.865 1.844 1.00 0.00 H new ATOM 0 H8 G A 10 -5.404 4.569 5.066 1.00 0.00 H new ATOM 0 H1 G A 10 -1.706 5.798 -0.115 1.00 0.00 H new ATOM 0 H21 G A 10 -4.720 6.881 -1.547 1.00 0.00 H new ATOM 0 H22 G A 10 -2.983 6.627 -1.747 1.00 0.00 H new ATOM 328 P U A 11 -10.933 4.412 1.195 1.00 0.00 P ATOM 329 OP1 U A 11 -12.221 5.139 1.207 1.00 0.00 O ATOM 330 OP2 U A 11 -10.846 3.054 1.786 1.00 0.00 O ATOM 331 O5' U A 11 -10.379 4.384 -0.329 1.00 0.00 O ATOM 332 C5' U A 11 -9.704 3.263 -0.878 1.00 0.00 C ATOM 333 C4' U A 11 -8.924 3.658 -2.141 1.00 0.00 C ATOM 334 O4' U A 11 -7.842 4.542 -1.844 1.00 0.00 O ATOM 335 C3' U A 11 -8.294 2.437 -2.821 1.00 0.00 C ATOM 336 O3' U A 11 -9.207 1.754 -3.674 1.00 0.00 O ATOM 337 C2' U A 11 -7.110 3.078 -3.549 1.00 0.00 C ATOM 338 O2' U A 11 -7.476 3.731 -4.757 1.00 0.00 O ATOM 339 C1' U A 11 -6.652 4.114 -2.513 1.00 0.00 C ATOM 340 N1 U A 11 -5.618 3.550 -1.574 1.00 0.00 N ATOM 341 C2 U A 11 -4.303 3.358 -2.058 1.00 0.00 C ATOM 342 O2 U A 11 -3.954 3.612 -3.211 1.00 0.00 O ATOM 343 N3 U A 11 -3.370 2.843 -1.157 1.00 0.00 N ATOM 344 C4 U A 11 -3.623 2.495 0.167 1.00 0.00 C ATOM 345 O4 U A 11 -2.727 2.046 0.872 1.00 0.00 O ATOM 346 C5 U A 11 -4.997 2.721 0.593 1.00 0.00 C ATOM 347 C6 U A 11 -5.928 3.234 -0.257 1.00 0.00 C ATOM 0 H5' U A 11 -10.425 2.482 -1.120 1.00 0.00 H new ATOM 0 H5'' U A 11 -9.020 2.847 -0.138 1.00 0.00 H new ATOM 0 H4' U A 11 -9.655 4.139 -2.790 1.00 0.00 H new ATOM 0 H3' U A 11 -7.993 1.642 -2.139 1.00 0.00 H new ATOM 0 H2' U A 11 -6.362 2.347 -3.856 1.00 0.00 H new ATOM 0 HO2' U A 11 -8.267 3.295 -5.138 1.00 0.00 H new ATOM 0 H1' U A 11 -6.151 4.961 -2.983 1.00 0.00 H new ATOM 0 H3 U A 11 -2.418 2.710 -1.499 1.00 0.00 H new ATOM 0 H5 U A 11 -5.283 2.476 1.605 1.00 0.00 H new ATOM 0 H6 U A 11 -6.933 3.400 0.101 1.00 0.00 H new ATOM 358 P C A 12 -9.115 0.157 -3.938 1.00 0.00 P ATOM 359 OP1 C A 12 -10.190 -0.209 -4.886 1.00 0.00 O ATOM 360 OP2 C A 12 -9.036 -0.524 -2.626 1.00 0.00 O ATOM 361 O5' C A 12 -7.686 -0.027 -4.675 1.00 0.00 O ATOM 362 C5' C A 12 -7.460 0.394 -6.014 1.00 0.00 C ATOM 363 C4' C A 12 -5.982 0.242 -6.410 1.00 0.00 C ATOM 364 O4' C A 12 -5.126 0.985 -5.551 1.00 0.00 O ATOM 365 C3' C A 12 -5.469 -1.201 -6.359 1.00 0.00 C ATOM 366 O3' C A 12 -5.877 -1.970 -7.488 1.00 0.00 O ATOM 367 C2' C A 12 -3.963 -0.948 -6.279 1.00 0.00 C ATOM 368 O2' C A 12 -3.366 -0.662 -7.535 1.00 0.00 O ATOM 369 C1' C A 12 -3.887 0.297 -5.380 1.00 0.00 C ATOM 370 N1 C A 12 -3.594 -0.066 -3.947 1.00 0.00 N ATOM 371 C2 C A 12 -2.308 -0.563 -3.620 1.00 0.00 C ATOM 372 O2 C A 12 -1.432 -0.723 -4.472 1.00 0.00 O ATOM 373 N3 C A 12 -2.024 -0.883 -2.320 1.00 0.00 N ATOM 374 C4 C A 12 -2.940 -0.731 -1.352 1.00 0.00 C ATOM 375 N4 C A 12 -2.595 -1.058 -0.109 1.00 0.00 N ATOM 376 C5 C A 12 -4.264 -0.232 -1.646 1.00 0.00 C ATOM 377 C6 C A 12 -4.542 0.088 -2.941 1.00 0.00 C ATOM 0 H5' C A 12 -7.762 1.435 -6.125 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.081 -0.192 -6.691 1.00 0.00 H new ATOM 0 H4' C A 12 -5.954 0.609 -7.436 1.00 0.00 H new ATOM 0 H3' C A 12 -5.856 -1.804 -5.538 1.00 0.00 H new ATOM 0 H2' C A 12 -3.429 -1.825 -5.914 1.00 0.00 H new ATOM 0 HO2' C A 12 -3.971 -0.939 -8.255 1.00 0.00 H new ATOM 0 H1' C A 12 -3.059 0.948 -5.662 1.00 0.00 H new ATOM 0 H41 C A 12 -3.268 -0.955 0.651 1.00 0.00 H new ATOM 0 H42 C A 12 -1.658 -1.412 0.084 1.00 0.00 H new ATOM 0 H5 C A 12 -5.005 -0.117 -0.869 1.00 0.00 H new ATOM 0 H6 C A 12 -5.521 0.470 -3.192 1.00 0.00 H new ATOM 389 P U A 13 -6.006 -3.586 -7.441 1.00 0.00 P ATOM 390 OP1 U A 13 -6.435 -4.046 -8.782 1.00 0.00 O ATOM 391 OP2 U A 13 -6.807 -3.953 -6.253 1.00 0.00 O ATOM 392 O5' U A 13 -4.488 -4.092 -7.184 1.00 0.00 O ATOM 393 C5' U A 13 -3.483 -4.058 -8.188 1.00 0.00 C ATOM 394 C4' U A 13 -2.092 -4.352 -7.602 1.00 0.00 C ATOM 395 O4' U A 13 -1.757 -3.445 -6.557 1.00 0.00 O ATOM 396 C3' U A 13 -1.944 -5.747 -6.987 1.00 0.00 C ATOM 397 O3' U A 13 -1.797 -6.766 -7.973 1.00 0.00 O ATOM 398 C2' U A 13 -0.712 -5.526 -6.101 1.00 0.00 C ATOM 399 O2' U A 13 0.517 -5.568 -6.811 1.00 0.00 O ATOM 400 C1' U A 13 -0.954 -4.103 -5.579 1.00 0.00 C ATOM 401 N1 U A 13 -1.577 -4.124 -4.208 1.00 0.00 N ATOM 402 C2 U A 13 -0.726 -4.307 -3.094 1.00 0.00 C ATOM 403 O2 U A 13 0.490 -4.467 -3.190 1.00 0.00 O ATOM 404 N3 U A 13 -1.326 -4.316 -1.832 1.00 0.00 N ATOM 405 C4 U A 13 -2.691 -4.174 -1.585 1.00 0.00 C ATOM 406 O4 U A 13 -3.116 -4.206 -0.435 1.00 0.00 O ATOM 407 C5 U A 13 -3.504 -3.996 -2.782 1.00 0.00 C ATOM 408 C6 U A 13 -2.946 -3.978 -4.024 1.00 0.00 C ATOM 0 H5' U A 13 -3.478 -3.079 -8.666 1.00 0.00 H new ATOM 0 H5'' U A 13 -3.715 -4.790 -8.962 1.00 0.00 H new ATOM 0 H4' U A 13 -1.435 -4.257 -8.467 1.00 0.00 H new ATOM 0 H3' U A 13 -2.811 -6.111 -6.435 1.00 0.00 H new ATOM 0 H2' U A 13 -0.614 -6.302 -5.342 1.00 0.00 H new ATOM 0 HO2' U A 13 1.063 -6.310 -6.476 1.00 0.00 H new ATOM 0 H1' U A 13 -0.020 -3.556 -5.447 1.00 0.00 H new ATOM 0 H3 U A 13 -0.715 -4.436 -1.024 1.00 0.00 H new ATOM 0 H5 U A 13 -4.573 -3.876 -2.681 1.00 0.00 H new ATOM 0 H6 U A 13 -3.583 -3.847 -4.886 1.00 0.00 H new ATOM 419 P U A 14 -2.077 -8.332 -7.655 1.00 0.00 P ATOM 420 OP1 U A 14 -1.992 -9.077 -8.931 1.00 0.00 O ATOM 421 OP2 U A 14 -3.301 -8.435 -6.830 1.00 0.00 O ATOM 422 O5' U A 14 -0.823 -8.754 -6.722 1.00 0.00 O ATOM 423 C5' U A 14 0.486 -8.947 -7.238 1.00 0.00 C ATOM 424 C4' U A 14 1.513 -9.140 -6.110 1.00 0.00 C ATOM 425 O4' U A 14 1.531 -8.032 -5.218 1.00 0.00 O ATOM 426 C3' U A 14 1.256 -10.362 -5.222 1.00 0.00 C ATOM 427 O3' U A 14 1.624 -11.584 -5.856 1.00 0.00 O ATOM 428 C2' U A 14 2.107 -9.993 -4.000 1.00 0.00 C ATOM 429 O2' U A 14 3.492 -10.252 -4.172 1.00 0.00 O ATOM 430 C1' U A 14 1.878 -8.478 -3.907 1.00 0.00 C ATOM 431 N1 U A 14 0.827 -8.147 -2.886 1.00 0.00 N ATOM 432 C2 U A 14 1.227 -7.985 -1.541 1.00 0.00 C ATOM 433 O2 U A 14 2.387 -8.119 -1.151 1.00 0.00 O ATOM 434 N3 U A 14 0.230 -7.657 -0.623 1.00 0.00 N ATOM 435 C4 U A 14 -1.121 -7.492 -0.915 1.00 0.00 C ATOM 436 O4 U A 14 -1.912 -7.203 -0.023 1.00 0.00 O ATOM 437 C5 U A 14 -1.461 -7.691 -2.318 1.00 0.00 C ATOM 438 C6 U A 14 -0.509 -8.007 -3.239 1.00 0.00 C ATOM 0 H5' U A 14 0.769 -8.088 -7.846 1.00 0.00 H new ATOM 0 H5'' U A 14 0.495 -9.818 -7.893 1.00 0.00 H new ATOM 0 H4' U A 14 2.452 -9.262 -6.650 1.00 0.00 H new ATOM 0 H3' U A 14 0.211 -10.554 -4.979 1.00 0.00 H new ATOM 0 H2' U A 14 1.828 -10.572 -3.120 1.00 0.00 H new ATOM 0 HO2' U A 14 3.792 -10.891 -3.492 1.00 0.00 H new ATOM 0 H1' U A 14 2.777 -7.963 -3.568 1.00 0.00 H new ATOM 0 H3 U A 14 0.516 -7.527 0.347 1.00 0.00 H new ATOM 0 H5 U A 14 -2.488 -7.586 -2.634 1.00 0.00 H new ATOM 0 H6 U A 14 -0.800 -8.152 -4.269 1.00 0.00 H new ATOM 449 P C A 15 1.010 -13.017 -5.409 1.00 0.00 P ATOM 450 OP1 C A 15 1.548 -14.050 -6.323 1.00 0.00 O ATOM 451 OP2 C A 15 -0.454 -12.872 -5.253 1.00 0.00 O ATOM 452 O5' C A 15 1.637 -13.255 -3.936 1.00 0.00 O ATOM 453 C5' C A 15 3.000 -13.597 -3.728 1.00 0.00 C ATOM 454 C4' C A 15 3.371 -13.523 -2.238 1.00 0.00 C ATOM 455 O4' C A 15 3.117 -12.232 -1.701 1.00 0.00 O ATOM 456 C3' C A 15 2.582 -14.485 -1.342 1.00 0.00 C ATOM 457 O3' C A 15 3.023 -15.830 -1.433 1.00 0.00 O ATOM 458 C2' C A 15 2.793 -13.838 0.033 1.00 0.00 C ATOM 459 O2' C A 15 4.034 -14.174 0.640 1.00 0.00 O ATOM 460 C1' C A 15 2.782 -12.338 -0.318 1.00 0.00 C ATOM 461 N1 C A 15 1.450 -11.721 0.003 1.00 0.00 N ATOM 462 C2 C A 15 1.221 -11.243 1.316 1.00 0.00 C ATOM 463 O2 C A 15 2.085 -11.307 2.191 1.00 0.00 O ATOM 464 N3 C A 15 0.001 -10.702 1.625 1.00 0.00 N ATOM 465 C4 C A 15 -0.975 -10.618 0.707 1.00 0.00 C ATOM 466 N4 C A 15 -2.136 -10.086 1.076 1.00 0.00 N ATOM 467 C5 C A 15 -0.779 -11.099 -0.640 1.00 0.00 C ATOM 468 C6 C A 15 0.434 -11.642 -0.942 1.00 0.00 C ATOM 0 H5' C A 15 3.638 -12.922 -4.298 1.00 0.00 H new ATOM 0 H5'' C A 15 3.186 -14.604 -4.102 1.00 0.00 H new ATOM 0 H4' C A 15 4.429 -13.787 -2.230 1.00 0.00 H new ATOM 0 H3' C A 15 1.532 -14.595 -1.612 1.00 0.00 H new ATOM 0 H2' C A 15 2.042 -14.164 0.752 1.00 0.00 H new ATOM 0 HO2' C A 15 4.382 -14.998 0.239 1.00 0.00 H new ATOM 0 HO3' C A 15 2.483 -16.392 -0.839 1.00 0.00 H new ATOM 0 H1' C A 15 3.509 -11.786 0.278 1.00 0.00 H new ATOM 0 H41 C A 15 -2.898 -10.008 0.403 1.00 0.00 H new ATOM 0 H42 C A 15 -2.265 -9.756 2.033 1.00 0.00 H new ATOM 0 H5 C A 15 -1.563 -11.031 -1.380 1.00 0.00 H new ATOM 0 H6 C A 15 0.610 -12.020 -1.938 1.00 0.00 H new TER 481 C A 15