USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 174 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 180:sc=-0.00152 USER MOD Single : A 1 G O5' : rot 22:sc= 0.0185 USER MOD Single : A 2 A O2' : rot 180:sc= 0 USER MOD Single : A 3 G O2' : rot -16:sc= 0.00697 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -14:sc= 0.0487 USER MOD Single : A 6 C O2' : rot -22:sc= 0.0579 USER MOD Single : A 7 A O2' : rot 17:sc= 0.047 USER MOD Single : A 8 U O2' : rot 21:sc= 0.066 USER MOD Single : A 9 A O2' : rot 102:sc= 0.572 USER MOD Single : A 10 G O2' : rot 136:sc= 0.247 USER MOD Single : A 11 A O2' : rot -19:sc= 0.0419 USER MOD Single : A 12 U O2' : rot -18:sc= 0.0153 USER MOD Single : A 13 C O2' : rot -16:sc= 0.0166 USER MOD Single : A 14 U O2' : rot -122:sc= 0.0341 USER MOD Single : A 15 U O2' : rot 180:sc= 0 USER MOD Single : A 16 C O2' : rot -16:sc= 0.0127 USER MOD Single : A 16 C O3' : rot 180:sc= 0.0139 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -11.927 -3.295 10.129 1.00 0.00 O ATOM 2 C5' G A 1 -11.644 -4.569 9.589 1.00 0.00 C ATOM 3 C4' G A 1 -10.518 -5.270 10.365 1.00 0.00 C ATOM 4 O4' G A 1 -10.326 -6.589 9.869 1.00 0.00 O ATOM 5 C3' G A 1 -9.150 -4.581 10.247 1.00 0.00 C ATOM 6 O3' G A 1 -9.003 -3.488 11.148 1.00 0.00 O ATOM 7 C2' G A 1 -8.207 -5.757 10.516 1.00 0.00 C ATOM 8 O2' G A 1 -8.084 -6.089 11.889 1.00 0.00 O ATOM 9 C1' G A 1 -8.934 -6.882 9.775 1.00 0.00 C ATOM 10 N9 G A 1 -8.500 -6.985 8.353 1.00 0.00 N ATOM 11 C8 G A 1 -9.141 -6.556 7.214 1.00 0.00 C ATOM 12 N7 G A 1 -8.503 -6.811 6.105 1.00 0.00 N ATOM 13 C5 G A 1 -7.349 -7.464 6.523 1.00 0.00 C ATOM 14 C6 G A 1 -6.254 -7.991 5.750 1.00 0.00 C ATOM 15 O6 G A 1 -6.116 -7.967 4.530 1.00 0.00 O ATOM 16 N1 G A 1 -5.257 -8.587 6.541 1.00 0.00 N ATOM 17 C2 G A 1 -5.319 -8.659 7.934 1.00 0.00 C ATOM 18 N2 G A 1 -4.291 -9.252 8.554 1.00 0.00 N ATOM 19 N3 G A 1 -6.352 -8.162 8.656 1.00 0.00 N ATOM 20 C4 G A 1 -7.339 -7.576 7.901 1.00 0.00 C ATOM 0 H5' G A 1 -11.357 -4.467 8.542 1.00 0.00 H new ATOM 0 H5'' G A 1 -12.543 -5.184 9.615 1.00 0.00 H new ATOM 0 H4' G A 1 -10.845 -5.245 11.404 1.00 0.00 H new ATOM 0 H3' G A 1 -8.965 -4.095 9.289 1.00 0.00 H new ATOM 0 H2' G A 1 -7.184 -5.552 10.201 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.470 -6.847 11.989 1.00 0.00 H new ATOM 0 HO5' G A 1 -11.149 -2.972 10.631 1.00 0.00 H new ATOM 0 H1' G A 1 -8.701 -7.848 10.223 1.00 0.00 H new ATOM 0 H8 G A 1 -10.095 -6.049 7.236 1.00 0.00 H new ATOM 0 H1 G A 1 -4.445 -8.988 6.072 1.00 0.00 H new ATOM 0 H21 G A 1 -4.286 -9.331 9.571 1.00 0.00 H new ATOM 0 H22 G A 1 -3.513 -9.624 8.009 1.00 0.00 H new ATOM 33 P A A 2 -7.951 -2.279 10.886 1.00 0.00 P ATOM 34 OP1 A A 2 -8.060 -1.328 12.017 1.00 0.00 O ATOM 35 OP2 A A 2 -8.144 -1.783 9.503 1.00 0.00 O ATOM 36 O5' A A 2 -6.503 -3.000 10.951 1.00 0.00 O ATOM 37 C5' A A 2 -5.939 -3.469 12.168 1.00 0.00 C ATOM 38 C4' A A 2 -4.638 -4.249 11.923 1.00 0.00 C ATOM 39 O4' A A 2 -4.829 -5.395 11.100 1.00 0.00 O ATOM 40 C3' A A 2 -3.552 -3.430 11.219 1.00 0.00 C ATOM 41 O3' A A 2 -2.941 -2.484 12.088 1.00 0.00 O ATOM 42 C2' A A 2 -2.638 -4.553 10.719 1.00 0.00 C ATOM 43 O2' A A 2 -1.792 -5.089 11.724 1.00 0.00 O ATOM 44 C1' A A 2 -3.675 -5.600 10.284 1.00 0.00 C ATOM 45 N9 A A 2 -4.011 -5.470 8.836 1.00 0.00 N ATOM 46 C8 A A 2 -5.134 -4.941 8.243 1.00 0.00 C ATOM 47 N7 A A 2 -5.126 -4.973 6.940 1.00 0.00 N ATOM 48 C5 A A 2 -3.913 -5.576 6.626 1.00 0.00 C ATOM 49 C6 A A 2 -3.280 -5.923 5.394 1.00 0.00 C ATOM 50 N6 A A 2 -3.831 -5.683 4.196 1.00 0.00 N ATOM 51 N1 A A 2 -2.060 -6.521 5.431 1.00 0.00 N ATOM 52 C2 A A 2 -1.496 -6.763 6.624 1.00 0.00 C ATOM 53 N3 A A 2 -1.987 -6.492 7.843 1.00 0.00 N ATOM 54 C4 A A 2 -3.222 -5.888 7.783 1.00 0.00 C ATOM 0 H5' A A 2 -6.657 -4.109 12.680 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.739 -2.624 12.827 1.00 0.00 H new ATOM 0 H4' A A 2 -4.326 -4.522 12.931 1.00 0.00 H new ATOM 0 H3' A A 2 -3.895 -2.779 10.415 1.00 0.00 H new ATOM 0 H2' A A 2 -1.945 -4.218 9.947 1.00 0.00 H new ATOM 0 HO2' A A 2 -1.238 -5.800 11.340 1.00 0.00 H new ATOM 0 H1' A A 2 -3.279 -6.607 10.412 1.00 0.00 H new ATOM 0 H8 A A 2 -5.956 -4.532 8.811 1.00 0.00 H new ATOM 0 H61 A A 2 -3.337 -5.951 3.345 1.00 0.00 H new ATOM 0 H62 A A 2 -4.744 -5.233 4.136 1.00 0.00 H new ATOM 0 H2 A A 2 -0.525 -7.235 6.600 1.00 0.00 H new ATOM 66 P G A 3 -2.225 -1.135 11.541 1.00 0.00 P ATOM 67 OP1 G A 3 -1.786 -0.344 12.714 1.00 0.00 O ATOM 68 OP2 G A 3 -3.105 -0.505 10.531 1.00 0.00 O ATOM 69 O5' G A 3 -0.916 -1.699 10.776 1.00 0.00 O ATOM 70 C5' G A 3 0.177 -2.274 11.473 1.00 0.00 C ATOM 71 C4' G A 3 1.209 -2.874 10.508 1.00 0.00 C ATOM 72 O4' G A 3 0.659 -3.914 9.709 1.00 0.00 O ATOM 73 C3' G A 3 1.786 -1.870 9.506 1.00 0.00 C ATOM 74 O3' G A 3 2.707 -0.965 10.104 1.00 0.00 O ATOM 75 C2' G A 3 2.386 -2.836 8.481 1.00 0.00 C ATOM 76 O2' G A 3 3.633 -3.385 8.878 1.00 0.00 O ATOM 77 C1' G A 3 1.306 -3.928 8.439 1.00 0.00 C ATOM 78 N9 G A 3 0.332 -3.696 7.332 1.00 0.00 N ATOM 79 C8 G A 3 -0.972 -3.261 7.389 1.00 0.00 C ATOM 80 N7 G A 3 -1.561 -3.163 6.232 1.00 0.00 N ATOM 81 C5 G A 3 -0.590 -3.565 5.321 1.00 0.00 C ATOM 82 C6 G A 3 -0.652 -3.672 3.885 1.00 0.00 C ATOM 83 O6 G A 3 -1.604 -3.424 3.148 1.00 0.00 O ATOM 84 N1 G A 3 0.554 -4.114 3.315 1.00 0.00 N ATOM 85 C2 G A 3 1.692 -4.422 4.058 1.00 0.00 C ATOM 86 N2 G A 3 2.768 -4.831 3.371 1.00 0.00 N ATOM 87 N3 G A 3 1.742 -4.329 5.409 1.00 0.00 N ATOM 88 C4 G A 3 0.576 -3.896 5.989 1.00 0.00 C ATOM 0 H5' G A 3 -0.187 -3.050 12.146 1.00 0.00 H new ATOM 0 H5'' G A 3 0.655 -1.515 12.092 1.00 0.00 H new ATOM 0 H4' G A 3 1.989 -3.234 11.179 1.00 0.00 H new ATOM 0 H3' G A 3 1.073 -1.170 9.070 1.00 0.00 H new ATOM 0 H2' G A 3 2.609 -2.354 7.529 1.00 0.00 H new ATOM 0 HO2' G A 3 4.006 -2.853 9.612 1.00 0.00 H new ATOM 0 H1' G A 3 1.755 -4.902 8.243 1.00 0.00 H new ATOM 0 H8 G A 3 -1.467 -3.020 8.318 1.00 0.00 H new ATOM 0 H1 G A 3 0.599 -4.215 2.301 1.00 0.00 H new ATOM 0 H21 G A 3 3.628 -5.069 3.865 1.00 0.00 H new ATOM 0 H22 G A 3 2.727 -4.904 2.354 1.00 0.00 H new ATOM 100 P G A 4 2.991 0.517 9.502 1.00 0.00 P ATOM 101 OP1 G A 4 3.926 1.209 10.419 1.00 0.00 O ATOM 102 OP2 G A 4 1.695 1.152 9.176 1.00 0.00 O ATOM 103 O5' G A 4 3.758 0.217 8.108 1.00 0.00 O ATOM 104 C5' G A 4 5.080 -0.299 8.068 1.00 0.00 C ATOM 105 C4' G A 4 5.469 -0.734 6.648 1.00 0.00 C ATOM 106 O4' G A 4 4.588 -1.734 6.150 1.00 0.00 O ATOM 107 C3' G A 4 5.442 0.387 5.602 1.00 0.00 C ATOM 108 O3' G A 4 6.561 1.264 5.686 1.00 0.00 O ATOM 109 C2' G A 4 5.377 -0.448 4.321 1.00 0.00 C ATOM 110 O2' G A 4 6.624 -1.003 3.932 1.00 0.00 O ATOM 111 C1' G A 4 4.415 -1.566 4.746 1.00 0.00 C ATOM 112 N9 G A 4 3.003 -1.232 4.396 1.00 0.00 N ATOM 113 C8 G A 4 1.947 -0.894 5.211 1.00 0.00 C ATOM 114 N7 G A 4 0.830 -0.664 4.581 1.00 0.00 N ATOM 115 C5 G A 4 1.149 -0.861 3.242 1.00 0.00 C ATOM 116 C6 G A 4 0.324 -0.757 2.065 1.00 0.00 C ATOM 117 O6 G A 4 -0.867 -0.464 2.001 1.00 0.00 O ATOM 118 N1 G A 4 1.026 -1.031 0.878 1.00 0.00 N ATOM 119 C2 G A 4 2.376 -1.372 0.841 1.00 0.00 C ATOM 120 N2 G A 4 2.910 -1.597 -0.366 1.00 0.00 N ATOM 121 N3 G A 4 3.144 -1.479 1.950 1.00 0.00 N ATOM 122 C4 G A 4 2.482 -1.211 3.121 1.00 0.00 C ATOM 0 H5' G A 4 5.161 -1.149 8.746 1.00 0.00 H new ATOM 0 H5'' G A 4 5.779 0.459 8.422 1.00 0.00 H new ATOM 0 H4' G A 4 6.491 -1.092 6.771 1.00 0.00 H new ATOM 0 H3' G A 4 4.623 1.099 5.705 1.00 0.00 H new ATOM 0 H2' G A 4 5.074 0.143 3.457 1.00 0.00 H new ATOM 0 HO2' G A 4 6.508 -1.523 3.110 1.00 0.00 H new ATOM 0 H1' G A 4 4.635 -2.494 4.218 1.00 0.00 H new ATOM 0 H8 G A 4 2.037 -0.825 6.285 1.00 0.00 H new ATOM 0 H1 G A 4 0.518 -0.977 -0.005 1.00 0.00 H new ATOM 0 H21 G A 4 3.895 -1.850 -0.449 1.00 0.00 H new ATOM 0 H22 G A 4 2.332 -1.515 -1.203 1.00 0.00 H new ATOM 134 P A A 5 6.522 2.788 5.120 1.00 0.00 P ATOM 135 OP1 A A 5 7.829 3.417 5.419 1.00 0.00 O ATOM 136 OP2 A A 5 5.281 3.434 5.605 1.00 0.00 O ATOM 137 O5' A A 5 6.390 2.619 3.513 1.00 0.00 O ATOM 138 C5' A A 5 7.436 2.087 2.711 1.00 0.00 C ATOM 139 C4' A A 5 6.949 1.804 1.279 1.00 0.00 C ATOM 140 O4' A A 5 5.796 0.975 1.283 1.00 0.00 O ATOM 141 C3' A A 5 6.570 3.066 0.497 1.00 0.00 C ATOM 142 O3' A A 5 7.722 3.688 -0.069 1.00 0.00 O ATOM 143 C2' A A 5 5.589 2.496 -0.532 1.00 0.00 C ATOM 144 O2' A A 5 6.222 1.961 -1.683 1.00 0.00 O ATOM 145 C1' A A 5 4.904 1.365 0.246 1.00 0.00 C ATOM 146 N9 A A 5 3.575 1.763 0.796 1.00 0.00 N ATOM 147 C8 A A 5 3.180 1.911 2.106 1.00 0.00 C ATOM 148 N7 A A 5 1.925 2.224 2.264 1.00 0.00 N ATOM 149 C5 A A 5 1.430 2.290 0.965 1.00 0.00 C ATOM 150 C6 A A 5 0.143 2.577 0.422 1.00 0.00 C ATOM 151 N6 A A 5 -0.922 2.869 1.181 1.00 0.00 N ATOM 152 N1 A A 5 -0.016 2.569 -0.928 1.00 0.00 N ATOM 153 C2 A A 5 1.045 2.285 -1.698 1.00 0.00 C ATOM 154 N3 A A 5 2.295 1.988 -1.311 1.00 0.00 N ATOM 155 C4 A A 5 2.435 2.008 0.057 1.00 0.00 C ATOM 0 H5' A A 5 7.810 1.167 3.160 1.00 0.00 H new ATOM 0 H5'' A A 5 8.269 2.789 2.683 1.00 0.00 H new ATOM 0 H4' A A 5 7.798 1.320 0.796 1.00 0.00 H new ATOM 0 H3' A A 5 6.131 3.870 1.088 1.00 0.00 H new ATOM 0 H2' A A 5 4.922 3.269 -0.915 1.00 0.00 H new ATOM 0 HO2' A A 5 7.154 2.262 -1.713 1.00 0.00 H new ATOM 0 H1' A A 5 4.695 0.533 -0.427 1.00 0.00 H new ATOM 0 H8 A A 5 3.857 1.778 2.937 1.00 0.00 H new ATOM 0 H61 A A 5 -1.822 3.067 0.743 1.00 0.00 H new ATOM 0 H62 A A 5 -0.833 2.893 2.197 1.00 0.00 H new ATOM 0 H2 A A 5 0.871 2.297 -2.764 1.00 0.00 H new ATOM 167 P C A 6 7.840 5.288 -0.296 1.00 0.00 P ATOM 168 OP1 C A 6 9.081 5.549 -1.060 1.00 0.00 O ATOM 169 OP2 C A 6 7.646 5.949 1.013 1.00 0.00 O ATOM 170 O5' C A 6 6.569 5.649 -1.235 1.00 0.00 O ATOM 171 C5' C A 6 6.523 5.329 -2.620 1.00 0.00 C ATOM 172 C4' C A 6 5.132 5.601 -3.214 1.00 0.00 C ATOM 173 O4' C A 6 4.139 4.830 -2.563 1.00 0.00 O ATOM 174 C3' C A 6 4.670 7.051 -3.060 1.00 0.00 C ATOM 175 O3' C A 6 5.276 7.912 -4.019 1.00 0.00 O ATOM 176 C2' C A 6 3.149 6.911 -3.188 1.00 0.00 C ATOM 177 O2' C A 6 2.691 6.971 -4.529 1.00 0.00 O ATOM 178 C1' C A 6 2.889 5.508 -2.607 1.00 0.00 C ATOM 179 N1 C A 6 2.220 5.582 -1.264 1.00 0.00 N ATOM 180 C2 C A 6 0.819 5.784 -1.220 1.00 0.00 C ATOM 181 O2 C A 6 0.145 5.904 -2.244 1.00 0.00 O ATOM 182 N3 C A 6 0.201 5.847 0.005 1.00 0.00 N ATOM 183 C4 C A 6 0.894 5.722 1.156 1.00 0.00 C ATOM 184 N4 C A 6 0.226 5.787 2.316 1.00 0.00 N ATOM 185 C5 C A 6 2.326 5.516 1.138 1.00 0.00 C ATOM 186 C6 C A 6 2.935 5.453 -0.079 1.00 0.00 C ATOM 0 H5' C A 6 6.781 4.279 -2.761 1.00 0.00 H new ATOM 0 H5'' C A 6 7.270 5.916 -3.155 1.00 0.00 H new ATOM 0 H4' C A 6 5.241 5.349 -4.269 1.00 0.00 H new ATOM 0 H3' C A 6 4.959 7.526 -2.123 1.00 0.00 H new ATOM 0 H2' C A 6 2.626 7.722 -2.682 1.00 0.00 H new ATOM 0 HO2' C A 6 3.358 7.428 -5.082 1.00 0.00 H new ATOM 0 H1' C A 6 2.196 4.951 -3.238 1.00 0.00 H new ATOM 0 H41 C A 6 0.728 5.695 3.199 1.00 0.00 H new ATOM 0 H42 C A 6 -0.784 5.928 2.316 1.00 0.00 H new ATOM 0 H5 C A 6 2.890 5.416 2.054 1.00 0.00 H new ATOM 0 H6 C A 6 4.003 5.299 -0.124 1.00 0.00 H new ATOM 198 P A A 7 6.154 9.211 -3.595 1.00 0.00 P ATOM 199 OP1 A A 7 6.359 10.039 -4.806 1.00 0.00 O ATOM 200 OP2 A A 7 7.328 8.743 -2.824 1.00 0.00 O ATOM 201 O5' A A 7 5.187 10.021 -2.580 1.00 0.00 O ATOM 202 C5' A A 7 3.889 10.455 -2.955 1.00 0.00 C ATOM 203 C4' A A 7 3.031 10.776 -1.723 1.00 0.00 C ATOM 204 O4' A A 7 3.048 9.679 -0.818 1.00 0.00 O ATOM 205 C3' A A 7 3.510 12.017 -0.944 1.00 0.00 C ATOM 206 O3' A A 7 2.385 12.827 -0.620 1.00 0.00 O ATOM 207 C2' A A 7 4.154 11.394 0.298 1.00 0.00 C ATOM 208 O2' A A 7 4.187 12.245 1.430 1.00 0.00 O ATOM 209 C1' A A 7 3.272 10.166 0.494 1.00 0.00 C ATOM 210 N9 A A 7 3.911 9.139 1.358 1.00 0.00 N ATOM 211 C8 A A 7 4.716 8.089 0.988 1.00 0.00 C ATOM 212 N7 A A 7 5.123 7.344 1.978 1.00 0.00 N ATOM 213 C5 A A 7 4.554 7.935 3.101 1.00 0.00 C ATOM 214 C6 A A 7 4.595 7.630 4.494 1.00 0.00 C ATOM 215 N6 A A 7 5.280 6.592 4.997 1.00 0.00 N ATOM 216 N1 A A 7 3.912 8.428 5.358 1.00 0.00 N ATOM 217 C2 A A 7 3.226 9.473 4.866 1.00 0.00 C ATOM 218 N3 A A 7 3.116 9.863 3.588 1.00 0.00 N ATOM 219 C4 A A 7 3.810 9.042 2.731 1.00 0.00 C ATOM 0 H5' A A 7 3.402 9.681 -3.549 1.00 0.00 H new ATOM 0 H5'' A A 7 3.967 11.340 -3.587 1.00 0.00 H new ATOM 0 H4' A A 7 2.031 10.975 -2.108 1.00 0.00 H new ATOM 0 H3' A A 7 4.198 12.667 -1.484 1.00 0.00 H new ATOM 0 H2' A A 7 5.214 11.174 0.171 1.00 0.00 H new ATOM 0 HO2' A A 7 3.552 12.981 1.305 1.00 0.00 H new ATOM 0 H1' A A 7 2.345 10.416 1.010 1.00 0.00 H new ATOM 0 H8 A A 7 4.989 7.896 -0.039 1.00 0.00 H new ATOM 0 H61 A A 7 5.277 6.418 6.002 1.00 0.00 H new ATOM 0 H62 A A 7 5.804 5.977 4.374 1.00 0.00 H new ATOM 0 H2 A A 7 2.697 10.074 5.591 1.00 0.00 H new ATOM 231 P U A 8 1.851 14.012 -1.585 1.00 0.00 P ATOM 232 OP1 U A 8 2.172 13.696 -2.998 1.00 0.00 O ATOM 233 OP2 U A 8 2.297 15.297 -1.003 1.00 0.00 O ATOM 234 O5' U A 8 0.254 13.902 -1.371 1.00 0.00 O ATOM 235 C5' U A 8 -0.559 12.943 -2.035 1.00 0.00 C ATOM 236 C4' U A 8 -2.029 13.026 -1.585 1.00 0.00 C ATOM 237 O4' U A 8 -2.156 12.351 -0.351 1.00 0.00 O ATOM 238 C3' U A 8 -2.561 14.467 -1.386 1.00 0.00 C ATOM 239 O3' U A 8 -3.921 14.636 -1.782 1.00 0.00 O ATOM 240 C2' U A 8 -2.375 14.634 0.134 1.00 0.00 C ATOM 241 O2' U A 8 -3.220 15.598 0.734 1.00 0.00 O ATOM 242 C1' U A 8 -2.642 13.219 0.649 1.00 0.00 C ATOM 243 N1 U A 8 -1.980 12.893 1.954 1.00 0.00 N ATOM 244 C2 U A 8 -2.775 12.763 3.113 1.00 0.00 C ATOM 245 O2 U A 8 -3.995 12.933 3.127 1.00 0.00 O ATOM 246 N3 U A 8 -2.106 12.418 4.296 1.00 0.00 N ATOM 247 C4 U A 8 -0.729 12.188 4.414 1.00 0.00 C ATOM 248 O4 U A 8 -0.240 11.892 5.503 1.00 0.00 O ATOM 249 C5 U A 8 0.016 12.333 3.169 1.00 0.00 C ATOM 250 C6 U A 8 -0.609 12.669 2.008 1.00 0.00 C ATOM 0 H5' U A 8 -0.175 11.942 -1.837 1.00 0.00 H new ATOM 0 H5'' U A 8 -0.500 13.100 -3.112 1.00 0.00 H new ATOM 0 H4' U A 8 -2.617 12.577 -2.385 1.00 0.00 H new ATOM 0 H3' U A 8 -2.046 15.208 -1.998 1.00 0.00 H new ATOM 0 H2' U A 8 -1.388 15.024 0.384 1.00 0.00 H new ATOM 0 HO2' U A 8 -3.995 15.759 0.156 1.00 0.00 H new ATOM 0 H1' U A 8 -3.710 13.116 0.844 1.00 0.00 H new ATOM 0 H3 U A 8 -2.669 12.327 5.142 1.00 0.00 H new ATOM 0 H5 U A 8 1.084 12.171 3.168 1.00 0.00 H new ATOM 0 H6 U A 8 -0.025 12.764 1.105 1.00 0.00 H new ATOM 261 P A A 9 -4.489 14.343 -3.284 1.00 0.00 P ATOM 262 OP1 A A 9 -3.361 14.261 -4.241 1.00 0.00 O ATOM 263 OP2 A A 9 -5.605 15.281 -3.546 1.00 0.00 O ATOM 264 O5' A A 9 -5.099 12.856 -3.092 1.00 0.00 O ATOM 265 C5' A A 9 -6.114 12.593 -2.137 1.00 0.00 C ATOM 266 C4' A A 9 -6.047 11.152 -1.635 1.00 0.00 C ATOM 267 O4' A A 9 -4.805 10.948 -0.999 1.00 0.00 O ATOM 268 C3' A A 9 -7.090 10.841 -0.549 1.00 0.00 C ATOM 269 O3' A A 9 -8.220 10.209 -1.138 1.00 0.00 O ATOM 270 C2' A A 9 -6.302 9.994 0.472 1.00 0.00 C ATOM 271 O2' A A 9 -6.892 8.766 0.842 1.00 0.00 O ATOM 272 C1' A A 9 -4.952 9.793 -0.211 1.00 0.00 C ATOM 273 N9 A A 9 -3.770 9.625 0.662 1.00 0.00 N ATOM 274 C8 A A 9 -3.622 9.585 2.028 1.00 0.00 C ATOM 275 N7 A A 9 -2.398 9.388 2.436 1.00 0.00 N ATOM 276 C5 A A 9 -1.670 9.290 1.257 1.00 0.00 C ATOM 277 C6 A A 9 -0.294 9.088 0.946 1.00 0.00 C ATOM 278 N6 A A 9 0.633 8.932 1.898 1.00 0.00 N ATOM 279 N1 A A 9 0.088 9.049 -0.364 1.00 0.00 N ATOM 280 C2 A A 9 -0.859 9.202 -1.306 1.00 0.00 C ATOM 281 N3 A A 9 -2.162 9.395 -1.140 1.00 0.00 N ATOM 282 C4 A A 9 -2.513 9.427 0.177 1.00 0.00 C ATOM 0 H5' A A 9 -7.091 12.780 -2.582 1.00 0.00 H new ATOM 0 H5'' A A 9 -6.010 13.278 -1.296 1.00 0.00 H new ATOM 0 H4' A A 9 -6.214 10.523 -2.509 1.00 0.00 H new ATOM 0 H3' A A 9 -7.522 11.707 -0.047 1.00 0.00 H new ATOM 0 H2' A A 9 -6.252 10.507 1.432 1.00 0.00 H new ATOM 0 HO2' A A 9 -6.446 8.033 0.369 1.00 0.00 H new ATOM 0 H1' A A 9 -4.974 8.846 -0.750 1.00 0.00 H new ATOM 0 H8 A A 9 -4.452 9.707 2.709 1.00 0.00 H new ATOM 0 H61 A A 9 1.610 8.789 1.640 1.00 0.00 H new ATOM 0 H62 A A 9 0.363 8.956 2.881 1.00 0.00 H new ATOM 0 H2 A A 9 -0.516 9.163 -2.329 1.00 0.00 H new ATOM 294 P G A 10 -9.721 10.402 -0.559 1.00 0.00 P ATOM 295 OP1 G A 10 -10.080 11.831 -0.710 1.00 0.00 O ATOM 296 OP2 G A 10 -9.796 9.773 0.779 1.00 0.00 O ATOM 297 O5' G A 10 -10.657 9.561 -1.585 1.00 0.00 O ATOM 298 C5' G A 10 -10.761 8.141 -1.596 1.00 0.00 C ATOM 299 C4' G A 10 -9.631 7.444 -2.376 1.00 0.00 C ATOM 300 O4' G A 10 -8.419 7.438 -1.636 1.00 0.00 O ATOM 301 C3' G A 10 -9.967 5.963 -2.673 1.00 0.00 C ATOM 302 O3' G A 10 -9.723 5.673 -4.047 1.00 0.00 O ATOM 303 C2' G A 10 -8.989 5.216 -1.755 1.00 0.00 C ATOM 304 O2' G A 10 -8.667 3.904 -2.177 1.00 0.00 O ATOM 305 C1' G A 10 -7.805 6.176 -1.788 1.00 0.00 C ATOM 306 N9 G A 10 -6.771 5.967 -0.742 1.00 0.00 N ATOM 307 C8 G A 10 -6.923 5.654 0.587 1.00 0.00 C ATOM 308 N7 G A 10 -5.803 5.575 1.253 1.00 0.00 N ATOM 309 C5 G A 10 -4.825 5.860 0.307 1.00 0.00 C ATOM 310 C6 G A 10 -3.390 5.920 0.441 1.00 0.00 C ATOM 311 O6 G A 10 -2.716 5.730 1.451 1.00 0.00 O ATOM 312 N1 G A 10 -2.740 6.236 -0.764 1.00 0.00 N ATOM 313 C2 G A 10 -3.408 6.477 -1.964 1.00 0.00 C ATOM 314 N2 G A 10 -2.653 6.769 -3.030 1.00 0.00 N ATOM 315 N3 G A 10 -4.756 6.421 -2.084 1.00 0.00 N ATOM 316 C4 G A 10 -5.413 6.106 -0.921 1.00 0.00 C ATOM 0 H5' G A 10 -11.719 7.859 -2.032 1.00 0.00 H new ATOM 0 H5'' G A 10 -10.759 7.777 -0.568 1.00 0.00 H new ATOM 0 H4' G A 10 -9.523 8.008 -3.303 1.00 0.00 H new ATOM 0 H3' G A 10 -11.008 5.692 -2.496 1.00 0.00 H new ATOM 0 H2' G A 10 -9.387 5.011 -0.761 1.00 0.00 H new ATOM 0 HO2' G A 10 -7.702 3.760 -2.089 1.00 0.00 H new ATOM 0 H1' G A 10 -7.236 6.040 -2.708 1.00 0.00 H new ATOM 0 H8 G A 10 -7.888 5.487 1.043 1.00 0.00 H new ATOM 0 H1 G A 10 -1.722 6.292 -0.761 1.00 0.00 H new ATOM 0 H21 G A 10 -3.093 6.954 -3.931 1.00 0.00 H new ATOM 0 H22 G A 10 -1.638 6.807 -2.941 1.00 0.00 H new ATOM 328 P A A 11 -10.779 5.995 -5.236 1.00 0.00 P ATOM 329 OP1 A A 11 -11.557 7.214 -4.913 1.00 0.00 O ATOM 330 OP2 A A 11 -11.475 4.737 -5.587 1.00 0.00 O ATOM 331 O5' A A 11 -9.723 6.353 -6.396 1.00 0.00 O ATOM 332 C5' A A 11 -10.081 6.507 -7.759 1.00 0.00 C ATOM 333 C4' A A 11 -8.815 6.482 -8.634 1.00 0.00 C ATOM 334 O4' A A 11 -8.060 7.667 -8.423 1.00 0.00 O ATOM 335 C3' A A 11 -7.852 5.318 -8.336 1.00 0.00 C ATOM 336 O3' A A 11 -8.195 4.085 -8.962 1.00 0.00 O ATOM 337 C2' A A 11 -6.502 5.889 -8.775 1.00 0.00 C ATOM 338 O2' A A 11 -6.249 5.719 -10.161 1.00 0.00 O ATOM 339 C1' A A 11 -6.668 7.382 -8.448 1.00 0.00 C ATOM 340 N9 A A 11 -6.090 7.753 -7.124 1.00 0.00 N ATOM 341 C8 A A 11 -6.385 7.249 -5.878 1.00 0.00 C ATOM 342 N7 A A 11 -5.733 7.806 -4.897 1.00 0.00 N ATOM 343 C5 A A 11 -4.941 8.764 -5.524 1.00 0.00 C ATOM 344 C6 A A 11 -3.994 9.722 -5.049 1.00 0.00 C ATOM 345 N6 A A 11 -3.678 9.863 -3.758 1.00 0.00 N ATOM 346 N1 A A 11 -3.377 10.536 -5.946 1.00 0.00 N ATOM 347 C2 A A 11 -3.681 10.408 -7.246 1.00 0.00 C ATOM 348 N3 A A 11 -4.547 9.554 -7.815 1.00 0.00 N ATOM 349 C4 A A 11 -5.158 8.740 -6.891 1.00 0.00 C ATOM 0 H5' A A 11 -10.614 7.447 -7.901 1.00 0.00 H new ATOM 0 H5'' A A 11 -10.758 5.708 -8.060 1.00 0.00 H new ATOM 0 H4' A A 11 -9.189 6.376 -9.652 1.00 0.00 H new ATOM 0 H3' A A 11 -7.870 5.018 -7.288 1.00 0.00 H new ATOM 0 H2' A A 11 -5.664 5.396 -8.283 1.00 0.00 H new ATOM 0 HO2' A A 11 -6.827 5.011 -10.515 1.00 0.00 H new ATOM 0 H1' A A 11 -6.137 7.955 -9.208 1.00 0.00 H new ATOM 0 H8 A A 11 -7.100 6.455 -5.725 1.00 0.00 H new ATOM 0 H61 A A 11 -2.994 10.564 -3.474 1.00 0.00 H new ATOM 0 H62 A A 11 -4.121 9.269 -3.057 1.00 0.00 H new ATOM 0 H2 A A 11 -3.164 11.076 -7.920 1.00 0.00 H new ATOM 361 P U A 12 -9.117 2.941 -8.257 1.00 0.00 P ATOM 362 OP1 U A 12 -8.624 1.628 -8.732 1.00 0.00 O ATOM 363 OP2 U A 12 -10.534 3.296 -8.486 1.00 0.00 O ATOM 364 O5' U A 12 -8.835 3.055 -6.650 1.00 0.00 O ATOM 365 C5' U A 12 -7.792 2.351 -5.988 1.00 0.00 C ATOM 366 C4' U A 12 -6.377 2.830 -6.374 1.00 0.00 C ATOM 367 O4' U A 12 -5.911 3.902 -5.561 1.00 0.00 O ATOM 368 C3' U A 12 -5.338 1.716 -6.240 1.00 0.00 C ATOM 369 O3' U A 12 -5.380 0.851 -7.369 1.00 0.00 O ATOM 370 C2' U A 12 -4.053 2.532 -6.094 1.00 0.00 C ATOM 371 O2' U A 12 -3.563 3.044 -7.324 1.00 0.00 O ATOM 372 C1' U A 12 -4.543 3.681 -5.197 1.00 0.00 C ATOM 373 N1 U A 12 -4.364 3.364 -3.732 1.00 0.00 N ATOM 374 C2 U A 12 -3.058 3.396 -3.186 1.00 0.00 C ATOM 375 O2 U A 12 -2.048 3.655 -3.843 1.00 0.00 O ATOM 376 N3 U A 12 -2.938 3.110 -1.819 1.00 0.00 N ATOM 377 C4 U A 12 -3.995 2.800 -0.958 1.00 0.00 C ATOM 378 O4 U A 12 -3.786 2.566 0.229 1.00 0.00 O ATOM 379 C5 U A 12 -5.305 2.786 -1.596 1.00 0.00 C ATOM 380 C6 U A 12 -5.450 3.061 -2.921 1.00 0.00 C ATOM 0 H5' U A 12 -7.881 1.289 -6.216 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.921 2.458 -4.911 1.00 0.00 H new ATOM 0 H4' U A 12 -6.479 3.156 -7.409 1.00 0.00 H new ATOM 0 H3' U A 12 -5.477 1.024 -5.409 1.00 0.00 H new ATOM 0 H2' U A 12 -3.221 1.945 -5.707 1.00 0.00 H new ATOM 0 HO2' U A 12 -3.971 2.553 -8.068 1.00 0.00 H new ATOM 0 H1' U A 12 -3.958 4.588 -5.347 1.00 0.00 H new ATOM 0 H3 U A 12 -2.000 3.130 -1.419 1.00 0.00 H new ATOM 0 H5 U A 12 -6.179 2.553 -1.005 1.00 0.00 H new ATOM 0 H6 U A 12 -6.439 3.043 -3.355 1.00 0.00 H new ATOM 391 P C A 13 -5.115 -0.744 -7.263 1.00 0.00 P ATOM 392 OP1 C A 13 -5.282 -1.327 -8.613 1.00 0.00 O ATOM 393 OP2 C A 13 -5.911 -1.281 -6.136 1.00 0.00 O ATOM 394 O5' C A 13 -3.554 -0.826 -6.851 1.00 0.00 O ATOM 395 C5' C A 13 -2.510 -0.458 -7.740 1.00 0.00 C ATOM 396 C4' C A 13 -1.146 -0.509 -7.038 1.00 0.00 C ATOM 397 O4' C A 13 -1.066 0.441 -5.985 1.00 0.00 O ATOM 398 C3' C A 13 -0.828 -1.865 -6.398 1.00 0.00 C ATOM 399 O3' C A 13 -0.406 -2.833 -7.354 1.00 0.00 O ATOM 400 C2' C A 13 0.232 -1.454 -5.377 1.00 0.00 C ATOM 401 O2' C A 13 1.528 -1.299 -5.933 1.00 0.00 O ATOM 402 C1' C A 13 -0.309 -0.093 -4.899 1.00 0.00 C ATOM 403 N1 C A 13 -1.105 -0.217 -3.625 1.00 0.00 N ATOM 404 C2 C A 13 -0.419 -0.535 -2.427 1.00 0.00 C ATOM 405 O2 C A 13 0.797 -0.732 -2.405 1.00 0.00 O ATOM 406 N3 C A 13 -1.135 -0.632 -1.261 1.00 0.00 N ATOM 407 C4 C A 13 -2.469 -0.436 -1.228 1.00 0.00 C ATOM 408 N4 C A 13 -3.106 -0.548 -0.055 1.00 0.00 N ATOM 409 C5 C A 13 -3.196 -0.114 -2.437 1.00 0.00 C ATOM 410 C6 C A 13 -2.481 -0.013 -3.591 1.00 0.00 C ATOM 0 H5' C A 13 -2.689 0.547 -8.121 1.00 0.00 H new ATOM 0 H5'' C A 13 -2.506 -1.129 -8.599 1.00 0.00 H new ATOM 0 H4' C A 13 -0.434 -0.301 -7.837 1.00 0.00 H new ATOM 0 H3' C A 13 -1.675 -2.378 -5.943 1.00 0.00 H new ATOM 0 H2' C A 13 0.368 -2.205 -4.599 1.00 0.00 H new ATOM 0 HO2' C A 13 1.558 -1.723 -6.816 1.00 0.00 H new ATOM 0 H1' C A 13 0.503 0.586 -4.640 1.00 0.00 H new ATOM 0 H41 C A 13 -4.115 -0.404 -0.007 1.00 0.00 H new ATOM 0 H42 C A 13 -2.582 -0.777 0.790 1.00 0.00 H new ATOM 0 H5 C A 13 -4.265 0.040 -2.424 1.00 0.00 H new ATOM 0 H6 C A 13 -2.997 0.233 -4.507 1.00 0.00 H new ATOM 422 P U A 14 -0.645 -4.427 -7.150 1.00 0.00 P ATOM 423 OP1 U A 14 -0.118 -5.123 -8.346 1.00 0.00 O ATOM 424 OP2 U A 14 -2.055 -4.641 -6.749 1.00 0.00 O ATOM 425 O5' U A 14 0.289 -4.798 -5.880 1.00 0.00 O ATOM 426 C5' U A 14 1.706 -4.823 -5.958 1.00 0.00 C ATOM 427 C4' U A 14 2.346 -4.959 -4.569 1.00 0.00 C ATOM 428 O4' U A 14 1.976 -3.882 -3.718 1.00 0.00 O ATOM 429 C3' U A 14 1.951 -6.223 -3.796 1.00 0.00 C ATOM 430 O3' U A 14 2.591 -7.401 -4.275 1.00 0.00 O ATOM 431 C2' U A 14 2.352 -5.807 -2.378 1.00 0.00 C ATOM 432 O2' U A 14 3.745 -5.912 -2.125 1.00 0.00 O ATOM 433 C1' U A 14 1.932 -4.330 -2.364 1.00 0.00 C ATOM 434 N1 U A 14 0.587 -4.159 -1.714 1.00 0.00 N ATOM 435 C2 U A 14 0.522 -4.184 -0.302 1.00 0.00 C ATOM 436 O2 U A 14 1.507 -4.352 0.419 1.00 0.00 O ATOM 437 N3 U A 14 -0.740 -4.014 0.275 1.00 0.00 N ATOM 438 C4 U A 14 -1.938 -3.843 -0.425 1.00 0.00 C ATOM 439 O4 U A 14 -2.998 -3.710 0.184 1.00 0.00 O ATOM 440 C5 U A 14 -1.790 -3.840 -1.876 1.00 0.00 C ATOM 441 C6 U A 14 -0.572 -3.994 -2.464 1.00 0.00 C ATOM 0 H5' U A 14 2.061 -3.909 -6.435 1.00 0.00 H new ATOM 0 H5'' U A 14 2.022 -5.655 -6.588 1.00 0.00 H new ATOM 0 H4' U A 14 3.412 -4.984 -4.795 1.00 0.00 H new ATOM 0 H3' U A 14 0.904 -6.513 -3.888 1.00 0.00 H new ATOM 0 H2' U A 14 1.894 -6.440 -1.619 1.00 0.00 H new ATOM 0 HO2' U A 14 3.895 -6.509 -1.363 1.00 0.00 H new ATOM 0 H1' U A 14 2.606 -3.720 -1.763 1.00 0.00 H new ATOM 0 H3 U A 14 -0.791 -4.015 1.294 1.00 0.00 H new ATOM 0 H5 U A 14 -2.665 -3.713 -2.497 1.00 0.00 H new ATOM 0 H6 U A 14 -0.504 -3.988 -3.542 1.00 0.00 H new ATOM 452 P U A 15 2.026 -8.893 -3.959 1.00 0.00 P ATOM 453 OP1 U A 15 2.894 -9.865 -4.662 1.00 0.00 O ATOM 454 OP2 U A 15 0.569 -8.906 -4.220 1.00 0.00 O ATOM 455 O5' U A 15 2.239 -9.072 -2.361 1.00 0.00 O ATOM 456 C5' U A 15 3.521 -9.246 -1.776 1.00 0.00 C ATOM 457 C4' U A 15 3.469 -9.145 -0.242 1.00 0.00 C ATOM 458 O4' U A 15 2.940 -7.900 0.202 1.00 0.00 O ATOM 459 C3' U A 15 2.598 -10.204 0.443 1.00 0.00 C ATOM 460 O3' U A 15 3.198 -11.497 0.469 1.00 0.00 O ATOM 461 C2' U A 15 2.430 -9.555 1.818 1.00 0.00 C ATOM 462 O2' U A 15 3.561 -9.701 2.665 1.00 0.00 O ATOM 463 C1' U A 15 2.250 -8.083 1.440 1.00 0.00 C ATOM 464 N1 U A 15 0.798 -7.696 1.382 1.00 0.00 N ATOM 465 C2 U A 15 0.150 -7.349 2.589 1.00 0.00 C ATOM 466 O2 U A 15 0.699 -7.370 3.692 1.00 0.00 O ATOM 467 N3 U A 15 -1.194 -6.972 2.494 1.00 0.00 N ATOM 468 C4 U A 15 -1.945 -6.926 1.317 1.00 0.00 C ATOM 469 O4 U A 15 -3.124 -6.583 1.345 1.00 0.00 O ATOM 470 C5 U A 15 -1.207 -7.310 0.119 1.00 0.00 C ATOM 471 C6 U A 15 0.102 -7.674 0.181 1.00 0.00 C ATOM 0 H5' U A 15 4.204 -8.492 -2.167 1.00 0.00 H new ATOM 0 H5'' U A 15 3.922 -10.218 -2.063 1.00 0.00 H new ATOM 0 H4' U A 15 4.515 -9.281 0.033 1.00 0.00 H new ATOM 0 H3' U A 15 1.657 -10.427 -0.060 1.00 0.00 H new ATOM 0 H2' U A 15 1.615 -10.004 2.386 1.00 0.00 H new ATOM 0 HO2' U A 15 3.385 -9.263 3.524 1.00 0.00 H new ATOM 0 H1' U A 15 2.670 -7.420 2.197 1.00 0.00 H new ATOM 0 H3 U A 15 -1.666 -6.708 3.359 1.00 0.00 H new ATOM 0 H5 U A 15 -1.710 -7.305 -0.837 1.00 0.00 H new ATOM 0 H6 U A 15 0.614 -7.953 -0.728 1.00 0.00 H new ATOM 482 P C A 16 2.335 -12.853 0.712 1.00 0.00 P ATOM 483 OP1 C A 16 3.272 -13.999 0.666 1.00 0.00 O ATOM 484 OP2 C A 16 1.171 -12.834 -0.204 1.00 0.00 O ATOM 485 O5' C A 16 1.770 -12.708 2.225 1.00 0.00 O ATOM 486 C5' C A 16 2.601 -12.833 3.371 1.00 0.00 C ATOM 487 C4' C A 16 1.867 -12.410 4.655 1.00 0.00 C ATOM 488 O4' C A 16 1.380 -11.076 4.575 1.00 0.00 O ATOM 489 C3' C A 16 0.637 -13.258 4.995 1.00 0.00 C ATOM 490 O3' C A 16 0.964 -14.526 5.537 1.00 0.00 O ATOM 491 C2' C A 16 -0.105 -12.324 5.957 1.00 0.00 C ATOM 492 O2' C A 16 0.391 -12.357 7.288 1.00 0.00 O ATOM 493 C1' C A 16 0.175 -10.944 5.330 1.00 0.00 C ATOM 494 N1 C A 16 -1.000 -10.487 4.509 1.00 0.00 N ATOM 495 C2 C A 16 -2.136 -9.972 5.180 1.00 0.00 C ATOM 496 O2 C A 16 -2.176 -9.875 6.408 1.00 0.00 O ATOM 497 N3 C A 16 -3.222 -9.577 4.438 1.00 0.00 N ATOM 498 C4 C A 16 -3.230 -9.672 3.091 1.00 0.00 C ATOM 499 N4 C A 16 -4.318 -9.271 2.419 1.00 0.00 N ATOM 500 C5 C A 16 -2.083 -10.196 2.380 1.00 0.00 C ATOM 501 C6 C A 16 -1.010 -10.584 3.122 1.00 0.00 C ATOM 0 H5' C A 16 3.493 -12.219 3.243 1.00 0.00 H new ATOM 0 H5'' C A 16 2.936 -13.866 3.467 1.00 0.00 H new ATOM 0 H4' C A 16 2.632 -12.535 5.421 1.00 0.00 H new ATOM 0 H3' C A 16 0.037 -13.551 4.134 1.00 0.00 H new ATOM 0 H2' C A 16 -1.156 -12.596 6.058 1.00 0.00 H new ATOM 0 HO2' C A 16 0.950 -13.152 7.409 1.00 0.00 H new ATOM 0 HO3' C A 16 0.141 -15.019 5.735 1.00 0.00 H new ATOM 0 H1' C A 16 0.310 -10.170 6.086 1.00 0.00 H new ATOM 0 H41 C A 16 -4.341 -9.336 1.401 1.00 0.00 H new ATOM 0 H42 C A 16 -5.123 -8.901 2.925 1.00 0.00 H new ATOM 0 H5 C A 16 -2.079 -10.276 1.303 1.00 0.00 H new ATOM 0 H6 C A 16 -0.140 -10.979 2.618 1.00 0.00 H new TER 514 C A 16