USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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 -27:sc= 0.127 USER MOD Single : A 1 G O5' : rot -23:sc= 0.0196 USER MOD Single : A 2 G O2' : rot -116:sc= 0.685 USER MOD Single : A 3 C O2' : rot -13:sc= 0.0502 USER MOD Single : A 4 G O2' : rot -114:sc= 0.786 USER MOD Single : A 5 G O2' : rot -14:sc= 0.446 USER MOD Single : A 6 U O2' : rot 155:sc= 1.33 USER MOD Single : A 7 G O2' : rot -15:sc= 0.172 USER MOD Single : A 8 A O2' : rot -29:sc= 0.174 USER MOD Single : A 9 A O2' : rot -13:sc= 0.307 USER MOD Single : A 10 A O2' : rot -27:sc= 0.113 USER MOD Single : A 11 U O2' : rot -24:sc= 0.283 USER MOD Single : A 12 G O2' : rot -114:sc= 0.11 USER MOD Single : A 13 C O2' : rot -23:sc= 0.146 USER MOD Single : A 14 C O2' : rot -23:sc= 0.0728 USER MOD Single : A 14 C O3' : rot 180:sc= 0.0846 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 2.671 -12.506 -10.514 1.00 10.00 O ATOM 2 C5' G A 1 1.628 -11.552 -10.422 1.00 10.00 C ATOM 3 C4' G A 1 0.299 -12.232 -10.079 1.00 10.00 C ATOM 4 O4' G A 1 0.397 -13.093 -8.946 1.00 10.00 O ATOM 5 C3' G A 1 -0.759 -11.185 -9.737 1.00 10.00 C ATOM 6 O3' G A 1 -1.351 -10.676 -10.919 1.00 10.00 O ATOM 7 C2' G A 1 -1.727 -12.039 -8.919 1.00 10.00 C ATOM 8 O2' G A 1 -2.541 -12.835 -9.775 1.00 10.00 O ATOM 9 C1' G A 1 -0.780 -12.954 -8.149 1.00 10.00 C ATOM 10 N9 G A 1 -0.387 -12.429 -6.820 1.00 10.00 N ATOM 11 C8 G A 1 0.840 -11.951 -6.439 1.00 10.00 C ATOM 12 N7 G A 1 0.997 -11.825 -5.146 1.00 10.00 N ATOM 13 C5 G A 1 -0.254 -12.201 -4.627 1.00 10.00 C ATOM 14 C6 G A 1 -0.745 -12.302 -3.274 1.00 10.00 C ATOM 15 O6 G A 1 -0.167 -12.075 -2.212 1.00 10.00 O ATOM 16 N1 G A 1 -2.054 -12.730 -3.193 1.00 10.00 N ATOM 17 C2 G A 1 -2.816 -13.026 -4.271 1.00 10.00 C ATOM 18 N2 G A 1 -4.051 -13.371 -4.036 1.00 10.00 N ATOM 19 N3 G A 1 -2.413 -12.942 -5.538 1.00 10.00 N ATOM 20 C4 G A 1 -1.113 -12.536 -5.654 1.00 10.00 C ATOM 0 H5' G A 1 1.535 -11.016 -11.367 1.00 10.00 H new ATOM 0 H5'' G A 1 1.871 -10.813 -9.659 1.00 10.00 H new ATOM 0 H4' G A 1 0.029 -12.815 -10.960 1.00 10.00 H new ATOM 0 H3' G A 1 -0.400 -10.299 -9.213 1.00 10.00 H new ATOM 0 H2' G A 1 -2.399 -11.448 -8.297 1.00 10.00 H new ATOM 0 HO2' G A 1 -2.629 -12.394 -10.646 1.00 10.00 H new ATOM 0 HO5' G A 1 2.427 -13.308 -10.006 1.00 10.00 H new ATOM 0 H1' G A 1 -1.296 -13.897 -7.966 1.00 10.00 H new ATOM 0 H8 G A 1 1.614 -11.699 -7.148 1.00 10.00 H new ATOM 0 H1 G A 1 -2.471 -12.829 -2.267 1.00 10.00 H new ATOM 0 H21 G A 1 -4.671 -13.605 -4.811 1.00 10.00 H new ATOM 0 H22 G A 1 -4.397 -13.407 -3.077 1.00 10.00 H new ATOM 33 P G A 2 -1.946 -9.204 -11.018 1.00 10.00 P ATOM 34 OP1 G A 2 -2.443 -9.052 -12.403 1.00 10.00 O ATOM 35 OP2 G A 2 -0.941 -8.248 -10.503 1.00 10.00 O ATOM 36 O5' G A 2 -3.212 -9.235 -10.046 1.00 10.00 O ATOM 37 C5' G A 2 -4.415 -9.874 -10.456 1.00 10.00 C ATOM 38 C4' G A 2 -5.373 -10.135 -9.292 1.00 10.00 C ATOM 39 O4' G A 2 -4.706 -10.928 -8.314 1.00 10.00 O ATOM 40 C3' G A 2 -5.964 -8.897 -8.614 1.00 10.00 C ATOM 41 O3' G A 2 -7.189 -8.510 -9.246 1.00 10.00 O ATOM 42 C2' G A 2 -6.169 -9.442 -7.193 1.00 10.00 C ATOM 43 O2' G A 2 -7.424 -10.071 -6.998 1.00 10.00 O ATOM 44 C1' G A 2 -5.094 -10.511 -7.016 1.00 10.00 C ATOM 45 N9 G A 2 -3.999 -9.969 -6.185 1.00 10.00 N ATOM 46 C8 G A 2 -2.807 -9.390 -6.537 1.00 10.00 C ATOM 47 N7 G A 2 -2.137 -8.902 -5.525 1.00 10.00 N ATOM 48 C5 G A 2 -2.931 -9.216 -4.409 1.00 10.00 C ATOM 49 C6 G A 2 -2.770 -8.972 -2.997 1.00 10.00 C ATOM 50 O6 G A 2 -1.855 -8.389 -2.413 1.00 10.00 O ATOM 51 N1 G A 2 -3.806 -9.477 -2.226 1.00 10.00 N ATOM 52 C2 G A 2 -4.862 -10.152 -2.733 1.00 10.00 C ATOM 53 N2 G A 2 -5.724 -10.650 -1.889 1.00 10.00 N ATOM 54 N3 G A 2 -5.074 -10.362 -4.028 1.00 10.00 N ATOM 55 C4 G A 2 -4.065 -9.882 -4.817 1.00 10.00 C ATOM 0 H5' G A 2 -4.172 -10.820 -10.940 1.00 10.00 H new ATOM 0 H5'' G A 2 -4.915 -9.254 -11.200 1.00 10.00 H new ATOM 0 H4' G A 2 -6.227 -10.645 -9.737 1.00 10.00 H new ATOM 0 H3' G A 2 -5.355 -7.994 -8.655 1.00 10.00 H new ATOM 0 H2' G A 2 -6.119 -8.613 -6.487 1.00 10.00 H new ATOM 0 HO2' G A 2 -7.945 -9.565 -6.340 1.00 10.00 H new ATOM 0 H1' G A 2 -5.448 -11.392 -6.481 1.00 10.00 H new ATOM 0 H8 G A 2 -2.454 -9.341 -7.556 1.00 10.00 H new ATOM 0 H1 G A 2 -3.769 -9.331 -1.217 1.00 10.00 H new ATOM 0 H21 G A 2 -6.534 -11.166 -2.232 1.00 10.00 H new ATOM 0 H22 G A 2 -5.587 -10.523 -0.886 1.00 10.00 H new ATOM 67 P C A 3 -7.762 -7.020 -9.172 1.00 10.00 P ATOM 68 OP1 C A 3 -8.915 -6.972 -10.102 1.00 10.00 O ATOM 69 OP2 C A 3 -6.629 -6.107 -9.405 1.00 10.00 O ATOM 70 O5' C A 3 -8.277 -6.814 -7.665 1.00 10.00 O ATOM 71 C5' C A 3 -9.436 -7.461 -7.156 1.00 10.00 C ATOM 72 C4' C A 3 -9.403 -7.524 -5.617 1.00 10.00 C ATOM 73 O4' C A 3 -8.124 -8.000 -5.208 1.00 10.00 O ATOM 74 C3' C A 3 -9.666 -6.239 -4.824 1.00 10.00 C ATOM 75 O3' C A 3 -11.057 -5.960 -4.685 1.00 10.00 O ATOM 76 C2' C A 3 -9.034 -6.669 -3.491 1.00 10.00 C ATOM 77 O2' C A 3 -9.881 -7.489 -2.688 1.00 10.00 O ATOM 78 C1' C A 3 -7.849 -7.546 -3.892 1.00 10.00 C ATOM 79 N1 C A 3 -6.552 -6.820 -3.741 1.00 10.00 N ATOM 80 C2 C A 3 -6.079 -6.623 -2.441 1.00 10.00 C ATOM 81 O2 C A 3 -6.757 -6.932 -1.458 1.00 10.00 O ATOM 82 N3 C A 3 -4.862 -6.084 -2.223 1.00 10.00 N ATOM 83 C4 C A 3 -4.111 -5.758 -3.251 1.00 10.00 C ATOM 84 N4 C A 3 -2.947 -5.258 -2.938 1.00 10.00 N ATOM 85 C5 C A 3 -4.536 -5.922 -4.600 1.00 10.00 C ATOM 86 C6 C A 3 -5.779 -6.441 -4.814 1.00 10.00 C ATOM 0 H5' C A 3 -9.502 -8.470 -7.563 1.00 10.00 H new ATOM 0 H5'' C A 3 -10.328 -6.926 -7.482 1.00 10.00 H new ATOM 0 H4' C A 3 -10.245 -8.176 -5.385 1.00 10.00 H new ATOM 0 H3' C A 3 -9.276 -5.323 -5.268 1.00 10.00 H new ATOM 0 H2' C A 3 -8.799 -5.778 -2.909 1.00 10.00 H new ATOM 0 HO2' C A 3 -10.796 -7.457 -3.039 1.00 10.00 H new ATOM 0 H1' C A 3 -7.731 -8.408 -3.235 1.00 10.00 H new ATOM 0 H41 C A 3 -2.298 -4.977 -3.673 1.00 10.00 H new ATOM 0 H42 C A 3 -2.686 -5.148 -1.958 1.00 10.00 H new ATOM 0 H5 C A 3 -3.896 -5.645 -5.425 1.00 10.00 H new ATOM 0 H6 C A 3 -6.154 -6.554 -5.820 1.00 10.00 H new ATOM 98 P G A 4 -11.616 -4.637 -3.974 1.00 10.00 P ATOM 99 OP1 G A 4 -12.924 -5.003 -3.384 1.00 10.00 O ATOM 100 OP2 G A 4 -11.591 -3.562 -4.977 1.00 10.00 O ATOM 101 O5' G A 4 -10.624 -4.155 -2.807 1.00 10.00 O ATOM 102 C5' G A 4 -10.809 -4.467 -1.433 1.00 10.00 C ATOM 103 C4' G A 4 -9.632 -3.915 -0.606 1.00 10.00 C ATOM 104 O4' G A 4 -8.381 -4.404 -1.066 1.00 10.00 O ATOM 105 C3' G A 4 -9.554 -2.394 -0.628 1.00 10.00 C ATOM 106 O3' G A 4 -10.465 -1.833 0.306 1.00 10.00 O ATOM 107 C2' G A 4 -8.073 -2.153 -0.315 1.00 10.00 C ATOM 108 O2' G A 4 -7.761 -2.150 1.071 1.00 10.00 O ATOM 109 C1' G A 4 -7.403 -3.377 -0.936 1.00 10.00 C ATOM 110 N9 G A 4 -6.789 -3.029 -2.236 1.00 10.00 N ATOM 111 C8 G A 4 -7.305 -3.075 -3.507 1.00 10.00 C ATOM 112 N7 G A 4 -6.475 -2.667 -4.431 1.00 10.00 N ATOM 113 C5 G A 4 -5.325 -2.298 -3.717 1.00 10.00 C ATOM 114 C6 G A 4 -4.040 -1.783 -4.128 1.00 10.00 C ATOM 115 O6 G A 4 -3.610 -1.530 -5.250 1.00 10.00 O ATOM 116 N1 G A 4 -3.155 -1.601 -3.083 1.00 10.00 N ATOM 117 C2 G A 4 -3.450 -1.896 -1.796 1.00 10.00 C ATOM 118 N2 G A 4 -2.504 -1.754 -0.913 1.00 10.00 N ATOM 119 N3 G A 4 -4.614 -2.371 -1.369 1.00 10.00 N ATOM 120 C4 G A 4 -5.515 -2.545 -2.377 1.00 10.00 C ATOM 0 H5' G A 4 -10.881 -5.547 -1.303 1.00 10.00 H new ATOM 0 H5'' G A 4 -11.747 -4.040 -1.077 1.00 10.00 H new ATOM 0 H4' G A 4 -9.828 -4.258 0.410 1.00 10.00 H new ATOM 0 H3' G A 4 -9.846 -1.917 -1.564 1.00 10.00 H new ATOM 0 H2' G A 4 -7.759 -1.178 -0.687 1.00 10.00 H new ATOM 0 HO2' G A 4 -7.471 -1.253 1.339 1.00 10.00 H new ATOM 0 H1' G A 4 -6.597 -3.735 -0.296 1.00 10.00 H new ATOM 0 H8 G A 4 -8.306 -3.417 -3.724 1.00 10.00 H new ATOM 0 H1 G A 4 -2.231 -1.224 -3.293 1.00 10.00 H new ATOM 0 H21 G A 4 -2.686 -1.966 0.068 1.00 10.00 H new ATOM 0 H22 G A 4 -1.581 -1.431 -1.202 1.00 10.00 H new ATOM 132 P G A 5 -10.969 -0.337 0.156 1.00 10.00 P ATOM 133 OP1 G A 5 -12.167 -0.172 1.007 1.00 10.00 O ATOM 134 OP2 G A 5 -11.097 -0.063 -1.284 1.00 10.00 O ATOM 135 O5' G A 5 -9.809 0.597 0.704 1.00 10.00 O ATOM 136 C5' G A 5 -9.389 0.569 2.054 1.00 10.00 C ATOM 137 C4' G A 5 -8.035 1.283 2.153 1.00 10.00 C ATOM 138 O4' G A 5 -7.042 0.611 1.377 1.00 10.00 O ATOM 139 C3' G A 5 -8.130 2.742 1.690 1.00 10.00 C ATOM 140 O3' G A 5 -8.457 3.602 2.781 1.00 10.00 O ATOM 141 C2' G A 5 -6.721 2.963 1.143 1.00 10.00 C ATOM 142 O2' G A 5 -5.867 3.406 2.182 1.00 10.00 O ATOM 143 C1' G A 5 -6.271 1.579 0.672 1.00 10.00 C ATOM 144 N9 G A 5 -6.395 1.412 -0.795 1.00 10.00 N ATOM 145 C8 G A 5 -7.520 1.280 -1.568 1.00 10.00 C ATOM 146 N7 G A 5 -7.313 1.415 -2.849 1.00 10.00 N ATOM 147 C5 G A 5 -5.922 1.593 -2.940 1.00 10.00 C ATOM 148 C6 G A 5 -5.049 1.845 -4.059 1.00 10.00 C ATOM 149 O6 G A 5 -5.334 2.023 -5.240 1.00 10.00 O ATOM 150 N1 G A 5 -3.711 1.933 -3.720 1.00 10.00 N ATOM 151 C2 G A 5 -3.255 1.777 -2.447 1.00 10.00 C ATOM 152 N2 G A 5 -1.964 1.690 -2.257 1.00 10.00 N ATOM 153 N3 G A 5 -4.024 1.577 -1.380 1.00 10.00 N ATOM 154 C4 G A 5 -5.353 1.513 -1.687 1.00 10.00 C ATOM 0 H5' G A 5 -9.302 -0.460 2.403 1.00 10.00 H new ATOM 0 H5'' G A 5 -10.125 1.060 2.691 1.00 10.00 H new ATOM 0 H4' G A 5 -7.747 1.265 3.204 1.00 10.00 H new ATOM 0 H3' G A 5 -8.910 2.953 0.958 1.00 10.00 H new ATOM 0 H2' G A 5 -6.696 3.709 0.349 1.00 10.00 H new ATOM 0 HO2' G A 5 -6.405 3.679 2.954 1.00 10.00 H new ATOM 0 H1' G A 5 -5.211 1.449 0.888 1.00 10.00 H new ATOM 0 H8 G A 5 -8.496 1.081 -1.151 1.00 10.00 H new ATOM 0 H1 G A 5 -3.034 2.124 -4.459 1.00 10.00 H new ATOM 0 H21 G A 5 -1.594 1.573 -1.314 1.00 10.00 H new ATOM 0 H22 G A 5 -1.327 1.739 -3.052 1.00 10.00 H new ATOM 166 P U A 6 -9.205 4.997 2.588 1.00 10.00 P ATOM 167 OP1 U A 6 -9.354 5.583 3.942 1.00 10.00 O ATOM 168 OP2 U A 6 -10.408 4.784 1.757 1.00 10.00 O ATOM 169 O5' U A 6 -8.179 5.887 1.766 1.00 10.00 O ATOM 170 C5' U A 6 -7.207 6.683 2.422 1.00 10.00 C ATOM 171 C4' U A 6 -6.168 7.192 1.425 1.00 10.00 C ATOM 172 O4' U A 6 -5.575 6.073 0.772 1.00 10.00 O ATOM 173 C3' U A 6 -6.704 8.119 0.327 1.00 10.00 C ATOM 174 O3' U A 6 -6.950 9.477 0.709 1.00 10.00 O ATOM 175 C2' U A 6 -5.545 7.945 -0.653 1.00 10.00 C ATOM 176 O2' U A 6 -4.460 8.817 -0.330 1.00 10.00 O ATOM 177 C1' U A 6 -5.120 6.477 -0.515 1.00 10.00 C ATOM 178 N1 U A 6 -5.725 5.695 -1.638 1.00 10.00 N ATOM 179 C2 U A 6 -4.980 5.539 -2.819 1.00 10.00 C ATOM 180 O2 U A 6 -3.776 5.769 -2.894 1.00 10.00 O ATOM 181 N3 U A 6 -5.662 5.127 -3.950 1.00 10.00 N ATOM 182 C4 U A 6 -7.018 4.900 -4.023 1.00 10.00 C ATOM 183 O4 U A 6 -7.568 4.693 -5.102 1.00 10.00 O ATOM 184 C5 U A 6 -7.699 4.962 -2.748 1.00 10.00 C ATOM 185 C6 U A 6 -7.061 5.358 -1.617 1.00 10.00 C ATOM 0 H5' U A 6 -6.716 6.099 3.201 1.00 10.00 H new ATOM 0 H5'' U A 6 -7.691 7.527 2.913 1.00 10.00 H new ATOM 0 H4' U A 6 -5.468 7.779 2.020 1.00 10.00 H new ATOM 0 H3' U A 6 -7.702 7.874 -0.037 1.00 10.00 H new ATOM 0 H2' U A 6 -5.841 8.193 -1.673 1.00 10.00 H new ATOM 0 HO2' U A 6 -3.623 8.439 -0.672 1.00 10.00 H new ATOM 0 H1' U A 6 -4.044 6.316 -0.583 1.00 10.00 H new ATOM 0 H3 U A 6 -5.116 4.979 -4.799 1.00 10.00 H new ATOM 0 H5 U A 6 -8.742 4.686 -2.695 1.00 10.00 H new ATOM 0 H6 U A 6 -7.608 5.410 -0.687 1.00 10.00 H new ATOM 196 P G A 7 -7.764 10.487 -0.245 1.00 10.00 P ATOM 197 OP1 G A 7 -7.979 11.719 0.551 1.00 10.00 O ATOM 198 OP2 G A 7 -8.964 9.784 -0.753 1.00 10.00 O ATOM 199 O5' G A 7 -6.806 10.836 -1.498 1.00 10.00 O ATOM 200 C5' G A 7 -7.290 11.553 -2.635 1.00 10.00 C ATOM 201 C4' G A 7 -6.251 11.883 -3.739 1.00 10.00 C ATOM 202 O4' G A 7 -5.319 12.884 -3.337 1.00 10.00 O ATOM 203 C3' G A 7 -5.416 10.721 -4.279 1.00 10.00 C ATOM 204 O3' G A 7 -6.022 10.021 -5.350 1.00 10.00 O ATOM 205 C2' G A 7 -4.135 11.385 -4.749 1.00 10.00 C ATOM 206 O2' G A 7 -4.237 11.858 -6.084 1.00 10.00 O ATOM 207 C1' G A 7 -4.006 12.538 -3.770 1.00 10.00 C ATOM 208 N9 G A 7 -3.211 12.120 -2.598 1.00 10.00 N ATOM 209 C8 G A 7 -3.654 11.799 -1.345 1.00 10.00 C ATOM 210 N7 G A 7 -2.707 11.673 -0.453 1.00 10.00 N ATOM 211 C5 G A 7 -1.534 11.765 -1.218 1.00 10.00 C ATOM 212 C6 G A 7 -0.145 11.611 -0.870 1.00 10.00 C ATOM 213 O6 G A 7 0.377 11.456 0.232 1.00 10.00 O ATOM 214 N1 G A 7 0.697 11.638 -1.964 1.00 10.00 N ATOM 215 C2 G A 7 0.287 11.919 -3.220 1.00 10.00 C ATOM 216 N2 G A 7 1.211 11.974 -4.136 1.00 10.00 N ATOM 217 N3 G A 7 -0.975 12.119 -3.589 1.00 10.00 N ATOM 218 C4 G A 7 -1.845 12.007 -2.540 1.00 10.00 C ATOM 0 H5' G A 7 -7.727 12.489 -2.287 1.00 10.00 H new ATOM 0 H5'' G A 7 -8.095 10.973 -3.087 1.00 10.00 H new ATOM 0 H4' G A 7 -6.912 12.220 -4.538 1.00 10.00 H new ATOM 0 H3' G A 7 -5.276 9.962 -3.509 1.00 10.00 H new ATOM 0 H2' G A 7 -3.279 10.710 -4.764 1.00 10.00 H new ATOM 0 HO2' G A 7 -5.020 11.456 -6.515 1.00 10.00 H new ATOM 0 H1' G A 7 -3.511 13.383 -4.248 1.00 10.00 H new ATOM 0 H8 G A 7 -4.699 11.661 -1.112 1.00 10.00 H new ATOM 0 H1 G A 7 1.685 11.434 -1.815 1.00 10.00 H new ATOM 0 H21 G A 7 0.959 12.182 -5.102 1.00 10.00 H new ATOM 0 H22 G A 7 2.186 11.809 -3.887 1.00 10.00 H new ATOM 230 P A A 8 -6.144 8.442 -5.304 1.00 10.00 P ATOM 231 OP1 A A 8 -6.945 8.103 -6.495 1.00 10.00 O ATOM 232 OP2 A A 8 -6.640 8.087 -3.969 1.00 10.00 O ATOM 233 O5' A A 8 -4.628 7.929 -5.467 1.00 10.00 O ATOM 234 C5' A A 8 -3.997 7.831 -6.736 1.00 10.00 C ATOM 235 C4' A A 8 -2.459 7.851 -6.633 1.00 10.00 C ATOM 236 O4' A A 8 -2.020 8.978 -5.873 1.00 10.00 O ATOM 237 C3' A A 8 -1.783 6.609 -6.031 1.00 10.00 C ATOM 238 O3' A A 8 -1.536 5.576 -6.980 1.00 10.00 O ATOM 239 C2' A A 8 -0.443 7.225 -5.593 1.00 10.00 C ATOM 240 O2' A A 8 0.478 7.317 -6.674 1.00 10.00 O ATOM 241 C1' A A 8 -0.853 8.623 -5.144 1.00 10.00 C ATOM 242 N9 A A 8 -1.091 8.571 -3.691 1.00 10.00 N ATOM 243 C8 A A 8 -2.268 8.461 -2.994 1.00 10.00 C ATOM 244 N7 A A 8 -2.101 8.365 -1.697 1.00 10.00 N ATOM 245 C5 A A 8 -0.707 8.373 -1.547 1.00 10.00 C ATOM 246 C6 A A 8 0.192 8.262 -0.462 1.00 10.00 C ATOM 247 N6 A A 8 -0.161 8.067 0.789 1.00 10.00 N ATOM 248 N1 A A 8 1.517 8.284 -0.639 1.00 10.00 N ATOM 249 C2 A A 8 1.959 8.410 -1.884 1.00 10.00 C ATOM 250 N3 A A 8 1.255 8.533 -3.001 1.00 10.00 N ATOM 251 C4 A A 8 -0.089 8.501 -2.757 1.00 10.00 C ATOM 0 H5' A A 8 -4.327 8.657 -7.367 1.00 10.00 H new ATOM 0 H5'' A A 8 -4.313 6.910 -7.225 1.00 10.00 H new ATOM 0 H4' A A 8 -2.153 7.890 -7.679 1.00 10.00 H new ATOM 0 H3' A A 8 -2.385 6.128 -5.261 1.00 10.00 H new ATOM 0 H2' A A 8 0.059 6.632 -4.829 1.00 10.00 H new ATOM 0 HO2' A A 8 0.297 6.602 -7.319 1.00 10.00 H new ATOM 0 H1' A A 8 -0.088 9.376 -5.335 1.00 10.00 H new ATOM 0 H8 A A 8 -3.238 8.454 -3.468 1.00 10.00 H new ATOM 0 H61 A A 8 0.552 7.998 1.515 1.00 10.00 H new ATOM 0 H62 A A 8 -1.148 7.985 1.033 1.00 10.00 H new ATOM 0 H2 A A 8 3.032 8.413 -2.003 1.00 10.00 H new ATOM 263 P A A 9 -1.156 4.099 -6.519 1.00 10.00 P ATOM 264 OP1 A A 9 -0.592 3.406 -7.702 1.00 10.00 O ATOM 265 OP2 A A 9 -2.305 3.509 -5.813 1.00 10.00 O ATOM 266 O5' A A 9 0.049 4.303 -5.492 1.00 10.00 O ATOM 267 C5' A A 9 0.056 3.634 -4.246 1.00 10.00 C ATOM 268 C4' A A 9 1.159 4.163 -3.321 1.00 10.00 C ATOM 269 O4' A A 9 0.747 5.287 -2.538 1.00 10.00 O ATOM 270 C3' A A 9 1.587 3.063 -2.353 1.00 10.00 C ATOM 271 O3' A A 9 2.736 2.388 -2.834 1.00 10.00 O ATOM 272 C2' A A 9 1.922 3.844 -1.091 1.00 10.00 C ATOM 273 O2' A A 9 3.282 4.252 -1.103 1.00 10.00 O ATOM 274 C1' A A 9 1.030 5.057 -1.155 1.00 10.00 C ATOM 275 N9 A A 9 -0.207 4.819 -0.378 1.00 10.00 N ATOM 276 C8 A A 9 -1.466 4.647 -0.876 1.00 10.00 C ATOM 277 N7 A A 9 -2.401 4.567 0.026 1.00 10.00 N ATOM 278 C5 A A 9 -1.696 4.649 1.228 1.00 10.00 C ATOM 279 C6 A A 9 -2.068 4.639 2.591 1.00 10.00 C ATOM 280 N6 A A 9 -3.313 4.566 3.015 1.00 10.00 N ATOM 281 N1 A A 9 -1.142 4.702 3.553 1.00 10.00 N ATOM 282 C2 A A 9 0.128 4.771 3.176 1.00 10.00 C ATOM 283 N3 A A 9 0.633 4.840 1.945 1.00 10.00 N ATOM 284 C4 A A 9 -0.350 4.767 0.997 1.00 10.00 C ATOM 0 H5' A A 9 0.199 2.566 -4.408 1.00 10.00 H new ATOM 0 H5'' A A 9 -0.913 3.756 -3.763 1.00 10.00 H new ATOM 0 H4' A A 9 1.976 4.477 -3.971 1.00 10.00 H new ATOM 0 H3' A A 9 0.827 2.296 -2.207 1.00 10.00 H new ATOM 0 H2' A A 9 1.773 3.251 -0.189 1.00 10.00 H new ATOM 0 HO2' A A 9 3.761 3.774 -1.812 1.00 10.00 H new ATOM 0 H1' A A 9 1.511 5.933 -0.720 1.00 10.00 H new ATOM 0 H8 A A 9 -1.670 4.582 -1.935 1.00 10.00 H new ATOM 0 H61 A A 9 -3.512 4.563 4.015 1.00 10.00 H new ATOM 0 H62 A A 9 -4.078 4.512 2.343 1.00 10.00 H new ATOM 0 H2 A A 9 0.852 4.771 3.977 1.00 10.00 H new ATOM 296 P A A 10 2.816 0.810 -2.826 1.00 10.00 P ATOM 297 OP1 A A 10 4.057 0.493 -3.570 1.00 10.00 O ATOM 298 OP2 A A 10 1.524 0.290 -3.282 1.00 10.00 O ATOM 299 O5' A A 10 3.037 0.457 -1.287 1.00 10.00 O ATOM 300 C5' A A 10 4.277 0.695 -0.649 1.00 10.00 C ATOM 301 C4' A A 10 4.120 0.956 0.856 1.00 10.00 C ATOM 302 O4' A A 10 3.232 2.044 1.090 1.00 10.00 O ATOM 303 C3' A A 10 3.651 -0.202 1.737 1.00 10.00 C ATOM 304 O3' A A 10 4.724 -1.009 2.176 1.00 10.00 O ATOM 305 C2' A A 10 3.105 0.588 2.930 1.00 10.00 C ATOM 306 O2' A A 10 4.137 1.085 3.780 1.00 10.00 O ATOM 307 C1' A A 10 2.439 1.771 2.237 1.00 10.00 C ATOM 308 N9 A A 10 1.042 1.426 1.887 1.00 10.00 N ATOM 309 C8 A A 10 0.506 1.068 0.673 1.00 10.00 C ATOM 310 N7 A A 10 -0.775 0.840 0.691 1.00 10.00 N ATOM 311 C5 A A 10 -1.109 1.045 2.039 1.00 10.00 C ATOM 312 C6 A A 10 -2.302 0.953 2.792 1.00 10.00 C ATOM 313 N6 A A 10 -3.458 0.573 2.294 1.00 10.00 N ATOM 314 N1 A A 10 -2.306 1.209 4.105 1.00 10.00 N ATOM 315 C2 A A 10 -1.159 1.556 4.673 1.00 10.00 C ATOM 316 N3 A A 10 0.045 1.670 4.112 1.00 10.00 N ATOM 317 C4 A A 10 -0.008 1.397 2.774 1.00 10.00 C ATOM 0 H5' A A 10 4.764 1.552 -1.115 1.00 10.00 H new ATOM 0 H5'' A A 10 4.931 -0.164 -0.800 1.00 10.00 H new ATOM 0 H4' A A 10 5.149 1.159 1.153 1.00 10.00 H new ATOM 0 H3' A A 10 2.962 -0.884 1.238 1.00 10.00 H new ATOM 0 H2' A A 10 2.463 -0.020 3.567 1.00 10.00 H new ATOM 0 HO2' A A 10 4.922 0.501 3.718 1.00 10.00 H new ATOM 0 H1' A A 10 2.383 2.654 2.874 1.00 10.00 H new ATOM 0 H8 A A 10 1.101 0.983 -0.224 1.00 10.00 H new ATOM 0 H61 A A 10 -4.282 0.528 2.894 1.00 10.00 H new ATOM 0 H62 A A 10 -3.531 0.323 1.308 1.00 10.00 H new ATOM 0 H2 A A 10 -1.207 1.775 5.729 1.00 10.00 H new ATOM 329 P U A 11 4.532 -2.560 2.450 1.00 10.00 P ATOM 330 OP1 U A 11 5.851 -3.026 2.935 1.00 10.00 O ATOM 331 OP2 U A 11 3.979 -3.164 1.225 1.00 10.00 O ATOM 332 O5' U A 11 3.443 -2.709 3.631 1.00 10.00 O ATOM 333 C5' U A 11 3.770 -2.440 4.992 1.00 10.00 C ATOM 334 C4' U A 11 2.526 -2.218 5.880 1.00 10.00 C ATOM 335 O4' U A 11 1.591 -1.338 5.267 1.00 10.00 O ATOM 336 C3' U A 11 1.740 -3.484 6.228 1.00 10.00 C ATOM 337 O3' U A 11 2.215 -4.162 7.374 1.00 10.00 O ATOM 338 C2' U A 11 0.366 -2.911 6.562 1.00 10.00 C ATOM 339 O2' U A 11 0.278 -2.486 7.919 1.00 10.00 O ATOM 340 C1' U A 11 0.264 -1.695 5.652 1.00 10.00 C ATOM 341 N1 U A 11 -0.626 -2.006 4.502 1.00 10.00 N ATOM 342 C2 U A 11 -2.010 -2.037 4.744 1.00 10.00 C ATOM 343 O2 U A 11 -2.524 -1.781 5.837 1.00 10.00 O ATOM 344 N3 U A 11 -2.820 -2.382 3.688 1.00 10.00 N ATOM 345 C4 U A 11 -2.387 -2.651 2.418 1.00 10.00 C ATOM 346 O4 U A 11 -3.204 -2.896 1.554 1.00 10.00 O ATOM 347 C5 U A 11 -0.954 -2.630 2.238 1.00 10.00 C ATOM 348 C6 U A 11 -0.117 -2.328 3.263 1.00 10.00 C ATOM 0 H5' U A 11 4.405 -1.556 5.039 1.00 10.00 H new ATOM 0 H5'' U A 11 4.351 -3.271 5.391 1.00 10.00 H new ATOM 0 H4' U A 11 2.954 -1.804 6.793 1.00 10.00 H new ATOM 0 H3' U A 11 1.791 -4.213 5.419 1.00 10.00 H new ATOM 0 H2' U A 11 -0.424 -3.649 6.423 1.00 10.00 H new ATOM 0 HO2' U A 11 0.936 -2.973 8.458 1.00 10.00 H new ATOM 0 H1' U A 11 -0.186 -0.839 6.155 1.00 10.00 H new ATOM 0 H3 U A 11 -3.823 -2.442 3.865 1.00 10.00 H new ATOM 0 H5 U A 11 -0.540 -2.859 1.267 1.00 10.00 H new ATOM 0 H6 U A 11 0.952 -2.340 3.107 1.00 10.00 H new ATOM 359 P G A 12 2.145 -5.740 7.468 1.00 10.00 P ATOM 360 OP1 G A 12 2.354 -6.072 8.898 1.00 10.00 O ATOM 361 OP2 G A 12 3.090 -6.247 6.455 1.00 10.00 O ATOM 362 O5' G A 12 0.649 -6.171 7.046 1.00 10.00 O ATOM 363 C5' G A 12 -0.413 -6.168 7.993 1.00 10.00 C ATOM 364 C4' G A 12 -1.825 -6.291 7.388 1.00 10.00 C ATOM 365 O4' G A 12 -2.140 -5.247 6.474 1.00 10.00 O ATOM 366 C3' G A 12 -2.197 -7.628 6.734 1.00 10.00 C ATOM 367 O3' G A 12 -2.395 -8.588 7.764 1.00 10.00 O ATOM 368 C2' G A 12 -3.438 -7.156 5.954 1.00 10.00 C ATOM 369 O2' G A 12 -4.636 -7.021 6.709 1.00 10.00 O ATOM 370 C1' G A 12 -3.026 -5.761 5.488 1.00 10.00 C ATOM 371 N9 G A 12 -2.339 -5.823 4.180 1.00 10.00 N ATOM 372 C8 G A 12 -0.996 -5.789 3.922 1.00 10.00 C ATOM 373 N7 G A 12 -0.693 -5.847 2.656 1.00 10.00 N ATOM 374 C5 G A 12 -1.941 -5.868 2.014 1.00 10.00 C ATOM 375 C6 G A 12 -2.309 -5.843 0.619 1.00 10.00 C ATOM 376 O6 G A 12 -1.588 -5.797 -0.377 1.00 10.00 O ATOM 377 N1 G A 12 -3.673 -5.887 0.416 1.00 10.00 N ATOM 378 C2 G A 12 -4.587 -5.881 1.412 1.00 10.00 C ATOM 379 N2 G A 12 -5.840 -5.933 1.056 1.00 10.00 N ATOM 380 N3 G A 12 -4.302 -5.894 2.716 1.00 10.00 N ATOM 381 C4 G A 12 -2.953 -5.877 2.951 1.00 10.00 C ATOM 0 H5' G A 12 -0.361 -5.246 8.572 1.00 10.00 H new ATOM 0 H5'' G A 12 -0.260 -6.991 8.691 1.00 10.00 H new ATOM 0 H4' G A 12 -2.430 -6.214 8.292 1.00 10.00 H new ATOM 0 H3' G A 12 -1.486 -8.137 6.083 1.00 10.00 H new ATOM 0 H2' G A 12 -3.683 -7.891 5.187 1.00 10.00 H new ATOM 0 HO2' G A 12 -5.290 -7.685 6.407 1.00 10.00 H new ATOM 0 H1' G A 12 -3.903 -5.125 5.366 1.00 10.00 H new ATOM 0 H8 G A 12 -0.251 -5.720 4.701 1.00 10.00 H new ATOM 0 H1 G A 12 -4.013 -5.926 -0.545 1.00 10.00 H new ATOM 0 H21 G A 12 -6.572 -5.931 1.766 1.00 10.00 H new ATOM 0 H22 G A 12 -6.088 -5.975 0.068 1.00 10.00 H new ATOM 393 P C A 13 -2.327 -10.154 7.510 1.00 10.00 P ATOM 394 OP1 C A 13 -2.424 -10.813 8.830 1.00 10.00 O ATOM 395 OP2 C A 13 -1.155 -10.460 6.674 1.00 10.00 O ATOM 396 O5' C A 13 -3.618 -10.496 6.664 1.00 10.00 O ATOM 397 C5' C A 13 -4.917 -10.363 7.198 1.00 10.00 C ATOM 398 C4' C A 13 -5.941 -10.475 6.063 1.00 10.00 C ATOM 399 O4' C A 13 -5.849 -9.407 5.119 1.00 10.00 O ATOM 400 C3' C A 13 -5.804 -11.780 5.272 1.00 10.00 C ATOM 401 O3' C A 13 -6.446 -12.862 5.936 1.00 10.00 O ATOM 402 C2' C A 13 -6.512 -11.390 3.980 1.00 10.00 C ATOM 403 O2' C A 13 -7.916 -11.497 4.140 1.00 10.00 O ATOM 404 C1' C A 13 -6.095 -9.926 3.810 1.00 10.00 C ATOM 405 N1 C A 13 -4.887 -9.807 2.933 1.00 10.00 N ATOM 406 C2 C A 13 -5.065 -9.826 1.541 1.00 10.00 C ATOM 407 O2 C A 13 -6.137 -10.176 1.041 1.00 10.00 O ATOM 408 N3 C A 13 -4.043 -9.520 0.709 1.00 10.00 N ATOM 409 C4 C A 13 -2.859 -9.262 1.228 1.00 10.00 C ATOM 410 N4 C A 13 -1.903 -8.971 0.397 1.00 10.00 N ATOM 411 C5 C A 13 -2.584 -9.357 2.618 1.00 10.00 C ATOM 412 C6 C A 13 -3.618 -9.640 3.442 1.00 10.00 C ATOM 0 H5' C A 13 -5.019 -9.402 7.703 1.00 10.00 H new ATOM 0 H5'' C A 13 -5.097 -11.136 7.945 1.00 10.00 H new ATOM 0 H4' C A 13 -6.903 -10.439 6.574 1.00 10.00 H new ATOM 0 H3' C A 13 -4.782 -12.133 5.134 1.00 10.00 H new ATOM 0 H2' C A 13 -6.257 -12.018 3.126 1.00 10.00 H new ATOM 0 HO2' C A 13 -8.116 -12.124 4.866 1.00 10.00 H new ATOM 0 H1' C A 13 -6.882 -9.354 3.319 1.00 10.00 H new ATOM 0 H41 C A 13 -0.968 -8.763 0.748 1.00 10.00 H new ATOM 0 H42 C A 13 -2.088 -8.950 -0.606 1.00 10.00 H new ATOM 0 H5 C A 13 -1.586 -9.209 3.003 1.00 10.00 H new ATOM 0 H6 C A 13 -3.448 -9.736 4.504 1.00 10.00 H new ATOM 424 P C A 14 -5.690 -14.257 6.111 1.00 10.00 P ATOM 425 OP1 C A 14 -6.472 -15.036 7.093 1.00 10.00 O ATOM 426 OP2 C A 14 -4.259 -13.998 6.378 1.00 10.00 O ATOM 427 O5' C A 14 -5.834 -14.923 4.661 1.00 10.00 O ATOM 428 C5' C A 14 -6.945 -15.738 4.317 1.00 10.00 C ATOM 429 C4' C A 14 -7.144 -15.884 2.794 1.00 10.00 C ATOM 430 O4' C A 14 -7.096 -14.625 2.110 1.00 10.00 O ATOM 431 C3' C A 14 -6.096 -16.785 2.136 1.00 10.00 C ATOM 432 O3' C A 14 -6.357 -18.192 2.196 1.00 10.00 O ATOM 433 C2' C A 14 -6.159 -16.285 0.691 1.00 10.00 C ATOM 434 O2' C A 14 -7.228 -16.855 -0.056 1.00 10.00 O ATOM 435 C1' C A 14 -6.433 -14.789 0.851 1.00 10.00 C ATOM 436 N1 C A 14 -5.139 -14.051 0.768 1.00 10.00 N ATOM 437 C2 C A 14 -4.557 -13.866 -0.497 1.00 10.00 C ATOM 438 O2 C A 14 -5.159 -14.154 -1.529 1.00 10.00 O ATOM 439 N3 C A 14 -3.293 -13.388 -0.613 1.00 10.00 N ATOM 440 C4 C A 14 -2.630 -13.075 0.479 1.00 10.00 C ATOM 441 N4 C A 14 -1.427 -12.612 0.304 1.00 10.00 N ATOM 442 C5 C A 14 -3.176 -13.207 1.787 1.00 10.00 C ATOM 443 C6 C A 14 -4.433 -13.705 1.890 1.00 10.00 C ATOM 0 H5' C A 14 -7.848 -15.314 4.756 1.00 10.00 H new ATOM 0 H5'' C A 14 -6.812 -16.727 4.756 1.00 10.00 H new ATOM 0 H4' C A 14 -8.133 -16.333 2.700 1.00 10.00 H new ATOM 0 H3' C A 14 -5.131 -16.714 2.638 1.00 10.00 H new ATOM 0 H2' C A 14 -5.247 -16.543 0.153 1.00 10.00 H new ATOM 0 HO2' C A 14 -7.492 -17.708 0.349 1.00 10.00 H new ATOM 0 HO3' C A 14 -5.633 -18.678 1.748 1.00 10.00 H new ATOM 0 H1' C A 14 -7.071 -14.385 0.065 1.00 10.00 H new ATOM 0 H41 C A 14 -0.859 -12.350 1.110 1.00 10.00 H new ATOM 0 H42 C A 14 -1.052 -12.511 -0.639 1.00 10.00 H new ATOM 0 H5 C A 14 -2.612 -12.922 2.662 1.00 10.00 H new ATOM 0 H6 C A 14 -4.881 -13.830 2.865 1.00 10.00 H new TER 456 C A 14