USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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= -0.236 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00148 USER MOD Single : A 2 G O2' : rot 180:sc= -0.389 USER MOD Single : A 3 A O2' : rot -31:sc= 0.14 USER MOD Single : A 4 U O2' : rot 180:sc= -0.253 USER MOD Single : A 5 G O2' : rot -10:sc= 0.144 USER MOD Single : A 6 U O2' : rot -18:sc= -0.398 USER MOD Single : A 7 C O2' : rot -13:sc= -0.209 USER MOD Single : A 8 C O2' : rot -20:sc= 0.19 USER MOD Single : A 8 C O3' : rot 180:sc= 0.211 USER MOD Single : B 9 G O2' : rot 180:sc= -0.248 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot 180:sc= -0.355 USER MOD Single : B 11 A O2' : rot -26:sc= 0.156 USER MOD Single : B 12 U O2' : rot -1:sc= -0.22 USER MOD Single : B 13 G O2' : rot -7:sc= 0.0935 USER MOD Single : B 14 U O2' : rot -16:sc= -0.417 USER MOD Single : B 15 C O2' : rot -11:sc= -0.191 USER MOD Single : B 16 C O2' : rot -29:sc= 0.2 USER MOD Single : B 16 C O3' : rot 180:sc= 0.198 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.269 -8.130 5.724 1.00 0.00 O ATOM 2 C5' G A 1 6.623 -8.525 5.797 1.00 0.00 C ATOM 3 C4' G A 1 7.534 -7.390 5.316 1.00 0.00 C ATOM 4 O4' G A 1 7.283 -7.064 3.950 1.00 0.00 O ATOM 5 C3' G A 1 7.321 -6.097 6.075 1.00 0.00 C ATOM 6 O3' G A 1 7.907 -6.118 7.364 1.00 0.00 O ATOM 7 C2' G A 1 8.015 -5.139 5.138 1.00 0.00 C ATOM 8 O2' G A 1 9.415 -5.295 5.242 1.00 0.00 O ATOM 9 C1' G A 1 7.561 -5.665 3.776 1.00 0.00 C ATOM 10 N9 G A 1 6.327 -4.959 3.367 1.00 0.00 N ATOM 11 C8 G A 1 5.031 -5.409 3.379 1.00 0.00 C ATOM 12 N7 G A 1 4.161 -4.529 2.969 1.00 0.00 N ATOM 13 C5 G A 1 4.933 -3.412 2.662 1.00 0.00 C ATOM 14 C6 G A 1 4.537 -2.133 2.170 1.00 0.00 C ATOM 15 O6 G A 1 3.405 -1.735 1.908 1.00 0.00 O ATOM 16 N1 G A 1 5.630 -1.293 1.992 1.00 0.00 N ATOM 17 C2 G A 1 6.940 -1.632 2.255 1.00 0.00 C ATOM 18 N2 G A 1 7.863 -0.691 2.029 1.00 0.00 N ATOM 19 N3 G A 1 7.315 -2.830 2.720 1.00 0.00 N ATOM 20 C4 G A 1 6.262 -3.668 2.899 1.00 0.00 C ATOM 0 H5' G A 1 6.783 -9.413 5.186 1.00 0.00 H new ATOM 0 H5'' G A 1 6.876 -8.794 6.823 1.00 0.00 H new ATOM 0 H4' G A 1 8.544 -7.769 5.474 1.00 0.00 H new ATOM 0 H3' G A 1 6.280 -5.857 6.292 1.00 0.00 H new ATOM 0 H2' G A 1 7.789 -4.090 5.327 1.00 0.00 H new ATOM 0 HO2' G A 1 9.860 -4.671 4.631 1.00 0.00 H new ATOM 0 HO5' G A 1 4.697 -8.864 6.032 1.00 0.00 H new ATOM 0 H1' G A 1 8.321 -5.507 3.011 1.00 0.00 H new ATOM 0 H8 G A 1 4.756 -6.403 3.699 1.00 0.00 H new ATOM 0 H1 G A 1 5.449 -0.353 1.640 1.00 0.00 H new ATOM 0 H21 G A 1 8.848 -0.889 2.207 1.00 0.00 H new ATOM 0 H22 G A 1 7.582 0.225 1.679 1.00 0.00 H new ATOM 33 P G A 2 7.538 -4.988 8.461 1.00 0.00 P ATOM 34 OP1 G A 2 8.276 -5.298 9.705 1.00 0.00 O ATOM 35 OP2 G A 2 6.065 -4.855 8.496 1.00 0.00 O ATOM 36 O5' G A 2 8.147 -3.630 7.843 1.00 0.00 O ATOM 37 C5' G A 2 9.540 -3.401 7.830 1.00 0.00 C ATOM 38 C4' G A 2 9.836 -2.055 7.163 1.00 0.00 C ATOM 39 O4' G A 2 9.327 -2.017 5.826 1.00 0.00 O ATOM 40 C3' G A 2 9.178 -0.885 7.871 1.00 0.00 C ATOM 41 O3' G A 2 9.872 -0.489 9.040 1.00 0.00 O ATOM 42 C2' G A 2 9.266 0.154 6.777 1.00 0.00 C ATOM 43 O2' G A 2 10.597 0.610 6.636 1.00 0.00 O ATOM 44 C1' G A 2 8.894 -0.672 5.553 1.00 0.00 C ATOM 45 N9 G A 2 7.423 -0.635 5.377 1.00 0.00 N ATOM 46 C8 G A 2 6.490 -1.593 5.688 1.00 0.00 C ATOM 47 N7 G A 2 5.263 -1.244 5.424 1.00 0.00 N ATOM 48 C5 G A 2 5.383 0.041 4.908 1.00 0.00 C ATOM 49 C6 G A 2 4.376 0.940 4.451 1.00 0.00 C ATOM 50 O6 G A 2 3.162 0.760 4.401 1.00 0.00 O ATOM 51 N1 G A 2 4.920 2.146 4.027 1.00 0.00 N ATOM 52 C2 G A 2 6.263 2.453 4.032 1.00 0.00 C ATOM 53 N2 G A 2 6.605 3.667 3.589 1.00 0.00 N ATOM 54 N3 G A 2 7.213 1.610 4.454 1.00 0.00 N ATOM 55 C4 G A 2 6.702 0.426 4.879 1.00 0.00 C ATOM 0 H5' G A 2 10.045 -4.203 7.292 1.00 0.00 H new ATOM 0 H5'' G A 2 9.929 -3.406 8.848 1.00 0.00 H new ATOM 0 H4' G A 2 10.922 -1.965 7.198 1.00 0.00 H new ATOM 0 H3' G A 2 8.174 -1.086 8.244 1.00 0.00 H new ATOM 0 H2' G A 2 8.647 1.034 6.951 1.00 0.00 H new ATOM 0 HO2' G A 2 10.639 1.281 5.923 1.00 0.00 H new ATOM 0 H1' G A 2 9.359 -0.290 4.644 1.00 0.00 H new ATOM 0 H8 G A 2 6.750 -2.551 6.114 1.00 0.00 H new ATOM 0 H1 G A 2 4.275 2.859 3.686 1.00 0.00 H new ATOM 0 H21 G A 2 7.586 3.946 3.571 1.00 0.00 H new ATOM 0 H22 G A 2 5.885 4.314 3.269 1.00 0.00 H new ATOM 67 P A A 3 9.162 0.460 10.149 1.00 0.00 P ATOM 68 OP1 A A 3 10.146 0.721 11.223 1.00 0.00 O ATOM 69 OP2 A A 3 7.852 -0.137 10.485 1.00 0.00 O ATOM 70 O5' A A 3 8.890 1.848 9.371 1.00 0.00 O ATOM 71 C5' A A 3 9.956 2.705 9.024 1.00 0.00 C ATOM 72 C4' A A 3 9.421 3.921 8.262 1.00 0.00 C ATOM 73 O4' A A 3 8.681 3.522 7.105 1.00 0.00 O ATOM 74 C3' A A 3 8.460 4.773 9.067 1.00 0.00 C ATOM 75 O3' A A 3 9.127 5.633 9.969 1.00 0.00 O ATOM 76 C2' A A 3 7.775 5.545 7.974 1.00 0.00 C ATOM 77 O2' A A 3 8.628 6.569 7.504 1.00 0.00 O ATOM 78 C1' A A 3 7.628 4.480 6.893 1.00 0.00 C ATOM 79 N9 A A 3 6.307 3.818 7.017 1.00 0.00 N ATOM 80 C8 A A 3 6.010 2.540 7.423 1.00 0.00 C ATOM 81 N7 A A 3 4.741 2.246 7.364 1.00 0.00 N ATOM 82 C5 A A 3 4.150 3.416 6.903 1.00 0.00 C ATOM 83 C6 A A 3 2.815 3.764 6.631 1.00 0.00 C ATOM 84 N6 A A 3 1.791 2.916 6.778 1.00 0.00 N ATOM 85 N1 A A 3 2.571 5.021 6.214 1.00 0.00 N ATOM 86 C2 A A 3 3.590 5.863 6.068 1.00 0.00 C ATOM 87 N3 A A 3 4.884 5.652 6.275 1.00 0.00 N ATOM 88 C4 A A 3 5.095 4.385 6.701 1.00 0.00 C ATOM 0 H5' A A 3 10.679 2.169 8.409 1.00 0.00 H new ATOM 0 H5'' A A 3 10.480 3.030 9.923 1.00 0.00 H new ATOM 0 H4' A A 3 10.317 4.492 8.017 1.00 0.00 H new ATOM 0 H3' A A 3 7.791 4.197 9.705 1.00 0.00 H new ATOM 0 H2' A A 3 6.841 6.018 8.279 1.00 0.00 H new ATOM 0 HO2' A A 3 9.200 6.880 8.236 1.00 0.00 H new ATOM 0 H1' A A 3 7.695 4.918 5.897 1.00 0.00 H new ATOM 0 H8 A A 3 6.761 1.841 7.761 1.00 0.00 H new ATOM 0 H61 A A 3 0.841 3.222 6.566 1.00 0.00 H new ATOM 0 H62 A A 3 1.960 1.964 7.102 1.00 0.00 H new ATOM 0 H2 A A 3 3.328 6.856 5.735 1.00 0.00 H new ATOM 100 P U A 4 8.742 5.645 11.526 1.00 0.00 P ATOM 101 OP1 U A 4 9.714 6.496 12.247 1.00 0.00 O ATOM 102 OP2 U A 4 8.504 4.253 11.965 1.00 0.00 O ATOM 103 O5' U A 4 7.332 6.416 11.470 1.00 0.00 O ATOM 104 C5' U A 4 7.283 7.791 11.142 1.00 0.00 C ATOM 105 C4' U A 4 5.840 8.213 10.870 1.00 0.00 C ATOM 106 O4' U A 4 5.312 7.523 9.739 1.00 0.00 O ATOM 107 C3' U A 4 4.902 7.888 12.012 1.00 0.00 C ATOM 108 O3' U A 4 5.013 8.815 13.076 1.00 0.00 O ATOM 109 C2' U A 4 3.575 7.985 11.299 1.00 0.00 C ATOM 110 O2' U A 4 3.234 9.342 11.115 1.00 0.00 O ATOM 111 C1' U A 4 3.898 7.377 9.931 1.00 0.00 C ATOM 112 N1 U A 4 3.519 5.943 9.908 1.00 0.00 N ATOM 113 C2 U A 4 2.185 5.650 9.678 1.00 0.00 C ATOM 114 O2 U A 4 1.349 6.533 9.496 1.00 0.00 O ATOM 115 N3 U A 4 1.842 4.307 9.662 1.00 0.00 N ATOM 116 C4 U A 4 2.710 3.246 9.865 1.00 0.00 C ATOM 117 O4 U A 4 2.298 2.089 9.842 1.00 0.00 O ATOM 118 C5 U A 4 4.087 3.642 10.083 1.00 0.00 C ATOM 119 C6 U A 4 4.445 4.947 10.095 1.00 0.00 C ATOM 0 H5' U A 4 7.899 7.986 10.264 1.00 0.00 H new ATOM 0 H5'' U A 4 7.696 8.383 11.959 1.00 0.00 H new ATOM 0 H4' U A 4 5.890 9.291 10.716 1.00 0.00 H new ATOM 0 H3' U A 4 5.087 6.931 12.499 1.00 0.00 H new ATOM 0 H2' U A 4 2.756 7.502 11.831 1.00 0.00 H new ATOM 0 HO2' U A 4 2.373 9.403 10.651 1.00 0.00 H new ATOM 0 H1' U A 4 3.343 7.877 9.137 1.00 0.00 H new ATOM 0 H3 U A 4 0.864 4.079 9.485 1.00 0.00 H new ATOM 0 H5 U A 4 4.840 2.883 10.238 1.00 0.00 H new ATOM 0 H6 U A 4 5.480 5.210 10.255 1.00 0.00 H new ATOM 130 P G A 5 4.241 8.568 14.471 1.00 0.00 P ATOM 131 OP1 G A 5 4.650 9.629 15.418 1.00 0.00 O ATOM 132 OP2 G A 5 4.414 7.146 14.842 1.00 0.00 O ATOM 133 O5' G A 5 2.694 8.804 14.093 1.00 0.00 O ATOM 134 C5' G A 5 2.182 10.108 13.895 1.00 0.00 C ATOM 135 C4' G A 5 0.695 10.018 13.546 1.00 0.00 C ATOM 136 O4' G A 5 0.488 9.253 12.364 1.00 0.00 O ATOM 137 C3' G A 5 -0.092 9.294 14.618 1.00 0.00 C ATOM 138 O3' G A 5 -0.374 10.122 15.735 1.00 0.00 O ATOM 139 C2' G A 5 -1.341 8.937 13.851 1.00 0.00 C ATOM 140 O2' G A 5 -2.230 10.035 13.844 1.00 0.00 O ATOM 141 C1' G A 5 -0.832 8.700 12.435 1.00 0.00 C ATOM 142 N9 G A 5 -0.810 7.251 12.164 1.00 0.00 N ATOM 143 C8 G A 5 0.231 6.374 12.268 1.00 0.00 C ATOM 144 N7 G A 5 -0.082 5.139 11.983 1.00 0.00 N ATOM 145 C5 G A 5 -1.438 5.202 11.675 1.00 0.00 C ATOM 146 C6 G A 5 -2.347 4.168 11.296 1.00 0.00 C ATOM 147 O6 G A 5 -2.127 2.969 11.134 1.00 0.00 O ATOM 148 N1 G A 5 -3.626 4.663 11.105 1.00 0.00 N ATOM 149 C2 G A 5 -4.000 5.980 11.243 1.00 0.00 C ATOM 150 N2 G A 5 -5.285 6.264 11.009 1.00 0.00 N ATOM 151 N3 G A 5 -3.154 6.954 11.590 1.00 0.00 N ATOM 152 C4 G A 5 -1.893 6.494 11.792 1.00 0.00 C ATOM 0 H5' G A 5 2.726 10.607 13.093 1.00 0.00 H new ATOM 0 H5'' G A 5 2.321 10.707 14.795 1.00 0.00 H new ATOM 0 H4' G A 5 0.364 11.050 13.432 1.00 0.00 H new ATOM 0 H3' G A 5 0.430 8.445 15.060 1.00 0.00 H new ATOM 0 H2' G A 5 -1.871 8.084 14.275 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.909 10.719 14.468 1.00 0.00 H new ATOM 0 H1' G A 5 -1.475 9.171 11.692 1.00 0.00 H new ATOM 0 H8 G A 5 1.226 6.675 12.560 1.00 0.00 H new ATOM 0 H1 G A 5 -4.351 3.996 10.840 1.00 0.00 H new ATOM 0 H21 G A 5 -5.619 7.224 11.096 1.00 0.00 H new ATOM 0 H22 G A 5 -5.931 5.521 10.743 1.00 0.00 H new ATOM 164 P U A 6 -0.884 9.487 17.135 1.00 0.00 P ATOM 165 OP1 U A 6 -1.032 10.591 18.109 1.00 0.00 O ATOM 166 OP2 U A 6 -0.004 8.342 17.456 1.00 0.00 O ATOM 167 O5' U A 6 -2.357 8.905 16.813 1.00 0.00 O ATOM 168 C5' U A 6 -3.496 9.745 16.807 1.00 0.00 C ATOM 169 C4' U A 6 -4.765 8.906 16.578 1.00 0.00 C ATOM 170 O4' U A 6 -4.774 8.291 15.282 1.00 0.00 O ATOM 171 C3' U A 6 -4.896 7.753 17.563 1.00 0.00 C ATOM 172 O3' U A 6 -5.370 8.145 18.835 1.00 0.00 O ATOM 173 C2' U A 6 -5.914 6.919 16.835 1.00 0.00 C ATOM 174 O2' U A 6 -7.183 7.532 16.925 1.00 0.00 O ATOM 175 C1' U A 6 -5.437 7.016 15.400 1.00 0.00 C ATOM 176 N1 U A 6 -4.489 5.917 15.088 1.00 0.00 N ATOM 177 C2 U A 6 -5.011 4.749 14.550 1.00 0.00 C ATOM 178 O2 U A 6 -6.218 4.585 14.384 1.00 0.00 O ATOM 179 N3 U A 6 -4.094 3.771 14.208 1.00 0.00 N ATOM 180 C4 U A 6 -2.720 3.854 14.354 1.00 0.00 C ATOM 181 O4 U A 6 -1.999 2.912 14.035 1.00 0.00 O ATOM 182 C5 U A 6 -2.262 5.112 14.902 1.00 0.00 C ATOM 183 C6 U A 6 -3.141 6.077 15.251 1.00 0.00 C ATOM 0 H5' U A 6 -3.400 10.496 16.023 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.569 10.280 17.754 1.00 0.00 H new ATOM 0 H4' U A 6 -5.580 9.619 16.698 1.00 0.00 H new ATOM 0 H3' U A 6 -3.951 7.263 17.799 1.00 0.00 H new ATOM 0 H2' U A 6 -6.004 5.903 17.220 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.179 8.187 17.654 1.00 0.00 H new ATOM 0 H1' U A 6 -6.271 6.931 14.703 1.00 0.00 H new ATOM 0 H3 U A 6 -4.465 2.908 13.811 1.00 0.00 H new ATOM 0 H5 U A 6 -1.204 5.282 15.034 1.00 0.00 H new ATOM 0 H6 U A 6 -2.769 7.000 15.670 1.00 0.00 H new ATOM 194 P C A 7 -5.295 7.123 20.089 1.00 0.00 P ATOM 195 OP1 C A 7 -5.978 7.756 21.239 1.00 0.00 O ATOM 196 OP2 C A 7 -3.891 6.679 20.226 1.00 0.00 O ATOM 197 O5' C A 7 -6.176 5.847 19.621 1.00 0.00 O ATOM 198 C5' C A 7 -7.589 5.890 19.630 1.00 0.00 C ATOM 199 C4' C A 7 -8.160 4.535 19.186 1.00 0.00 C ATOM 200 O4' C A 7 -7.747 4.180 17.862 1.00 0.00 O ATOM 201 C3' C A 7 -7.681 3.395 20.059 1.00 0.00 C ATOM 202 O3' C A 7 -8.352 3.349 21.304 1.00 0.00 O ATOM 203 C2' C A 7 -8.036 2.217 19.180 1.00 0.00 C ATOM 204 O2' C A 7 -9.426 1.970 19.251 1.00 0.00 O ATOM 205 C1' C A 7 -7.705 2.738 17.781 1.00 0.00 C ATOM 206 N1 C A 7 -6.356 2.262 17.367 1.00 0.00 N ATOM 207 C2 C A 7 -6.241 0.928 16.985 1.00 0.00 C ATOM 208 O2 C A 7 -7.229 0.197 16.978 1.00 0.00 O ATOM 209 N3 C A 7 -5.013 0.462 16.623 1.00 0.00 N ATOM 210 C4 C A 7 -3.941 1.265 16.639 1.00 0.00 C ATOM 211 N4 C A 7 -2.756 0.768 16.272 1.00 0.00 N ATOM 212 C5 C A 7 -4.043 2.639 17.026 1.00 0.00 C ATOM 213 C6 C A 7 -5.267 3.091 17.373 1.00 0.00 C ATOM 0 H5' C A 7 -7.941 6.678 18.964 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.947 6.134 20.630 1.00 0.00 H new ATOM 0 H4' C A 7 -9.240 4.667 19.251 1.00 0.00 H new ATOM 0 H3' C A 7 -6.631 3.455 20.344 1.00 0.00 H new ATOM 0 H2' C A 7 -7.519 1.298 19.456 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.811 2.478 19.996 1.00 0.00 H new ATOM 0 H1' C A 7 -8.414 2.375 17.037 1.00 0.00 H new ATOM 0 H41 C A 7 -1.929 1.365 16.278 1.00 0.00 H new ATOM 0 H42 C A 7 -2.679 -0.208 15.986 1.00 0.00 H new ATOM 0 H5 C A 7 -3.178 3.286 17.040 1.00 0.00 H new ATOM 0 H6 C A 7 -5.389 4.125 17.660 1.00 0.00 H new ATOM 225 P C A 8 -7.792 2.433 22.511 1.00 0.00 P ATOM 226 OP1 C A 8 -8.709 2.578 23.663 1.00 0.00 O ATOM 227 OP2 C A 8 -6.353 2.733 22.677 1.00 0.00 O ATOM 228 O5' C A 8 -7.922 0.926 21.955 1.00 0.00 O ATOM 229 C5' C A 8 -9.169 0.260 21.930 1.00 0.00 C ATOM 230 C4' C A 8 -8.965 -1.170 21.423 1.00 0.00 C ATOM 231 O4' C A 8 -8.450 -1.188 20.096 1.00 0.00 O ATOM 232 C3' C A 8 -7.940 -1.920 22.247 1.00 0.00 C ATOM 233 O3' C A 8 -8.469 -2.391 23.469 1.00 0.00 O ATOM 234 C2' C A 8 -7.605 -3.056 21.315 1.00 0.00 C ATOM 235 O2' C A 8 -8.597 -4.056 21.413 1.00 0.00 O ATOM 236 C1' C A 8 -7.687 -2.396 19.937 1.00 0.00 C ATOM 237 N1 C A 8 -6.311 -2.082 19.489 1.00 0.00 N ATOM 238 C2 C A 8 -5.590 -3.096 18.864 1.00 0.00 C ATOM 239 O2 C A 8 -6.119 -4.179 18.626 1.00 0.00 O ATOM 240 N3 C A 8 -4.291 -2.854 18.533 1.00 0.00 N ATOM 241 C4 C A 8 -3.718 -1.675 18.815 1.00 0.00 C ATOM 242 N4 C A 8 -2.442 -1.477 18.471 1.00 0.00 N ATOM 243 C5 C A 8 -4.444 -0.635 19.481 1.00 0.00 C ATOM 244 C6 C A 8 -5.730 -0.884 19.790 1.00 0.00 C ATOM 0 H5' C A 8 -9.866 0.792 21.283 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.608 0.246 22.928 1.00 0.00 H new ATOM 0 H4' C A 8 -9.950 -1.633 21.485 1.00 0.00 H new ATOM 0 H3' C A 8 -7.088 -1.312 22.553 1.00 0.00 H new ATOM 0 H2' C A 8 -6.643 -3.525 21.524 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.082 -3.954 22.259 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.772 -2.869 23.965 1.00 0.00 H new ATOM 0 H1' C A 8 -8.159 -3.044 19.198 1.00 0.00 H new ATOM 0 H41 C A 8 -1.990 -0.586 18.678 1.00 0.00 H new ATOM 0 H42 C A 8 -1.920 -2.217 18.002 1.00 0.00 H new ATOM 0 H5 C A 8 -3.979 0.309 19.725 1.00 0.00 H new ATOM 0 H6 C A 8 -6.313 -0.122 20.285 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.561 -9.377 13.529 1.00 0.00 O ATOM 259 C5' G B 9 1.933 -10.639 13.467 1.00 0.00 C ATOM 260 C4' G B 9 0.507 -10.542 14.013 1.00 0.00 C ATOM 261 O4' G B 9 0.496 -10.130 15.378 1.00 0.00 O ATOM 262 C3' G B 9 -0.331 -9.510 13.288 1.00 0.00 C ATOM 263 O3' G B 9 -0.759 -9.951 12.012 1.00 0.00 O ATOM 264 C2' G B 9 -1.472 -9.384 14.270 1.00 0.00 C ATOM 265 O2' G B 9 -2.305 -10.520 14.182 1.00 0.00 O ATOM 266 C1' G B 9 -0.732 -9.420 15.609 1.00 0.00 C ATOM 267 N9 G B 9 -0.441 -8.037 16.044 1.00 0.00 N ATOM 268 C8 G B 9 0.751 -7.357 16.025 1.00 0.00 C ATOM 269 N7 G B 9 0.670 -6.133 16.465 1.00 0.00 N ATOM 270 C5 G B 9 -0.672 -5.985 16.801 1.00 0.00 C ATOM 271 C6 G B 9 -1.364 -4.857 17.333 1.00 0.00 C ATOM 272 O6 G B 9 -0.913 -3.749 17.613 1.00 0.00 O ATOM 273 N1 G B 9 -2.713 -5.130 17.532 1.00 0.00 N ATOM 274 C2 G B 9 -3.326 -6.334 17.252 1.00 0.00 C ATOM 275 N2 G B 9 -4.637 -6.414 17.503 1.00 0.00 N ATOM 276 N3 G B 9 -2.681 -7.393 16.750 1.00 0.00 N ATOM 277 C4 G B 9 -1.360 -7.148 16.550 1.00 0.00 C ATOM 0 H5' G B 9 2.503 -11.367 14.044 1.00 0.00 H new ATOM 0 H5'' G B 9 1.913 -10.994 12.437 1.00 0.00 H new ATOM 0 H4' G B 9 0.098 -11.543 13.879 1.00 0.00 H new ATOM 0 H3' G B 9 0.185 -8.579 13.055 1.00 0.00 H new ATOM 0 H2' G B 9 -2.097 -8.505 14.113 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.043 -10.435 14.821 1.00 0.00 H new ATOM 0 HO5' G B 9 3.474 -9.448 13.179 1.00 0.00 H new ATOM 0 H1' G B 9 -1.325 -9.906 16.384 1.00 0.00 H new ATOM 0 H8 G B 9 1.674 -7.797 15.677 1.00 0.00 H new ATOM 0 H1 G B 9 -3.293 -4.383 17.914 1.00 0.00 H new ATOM 0 H21 G B 9 -5.140 -7.281 17.315 1.00 0.00 H new ATOM 0 H22 G B 9 -5.134 -5.608 17.883 1.00 0.00 H new ATOM 290 P G B 10 -1.406 -8.914 10.950 1.00 0.00 P ATOM 291 OP1 G B 10 -1.704 -9.659 9.707 1.00 0.00 O ATOM 292 OP2 G B 10 -0.536 -7.718 10.897 1.00 0.00 O ATOM 293 O5' G B 10 -2.805 -8.484 11.623 1.00 0.00 O ATOM 294 C5' G B 10 -3.898 -9.377 11.657 1.00 0.00 C ATOM 295 C4' G B 10 -5.085 -8.714 12.362 1.00 0.00 C ATOM 296 O4' G B 10 -4.743 -8.321 13.694 1.00 0.00 O ATOM 297 C3' G B 10 -5.543 -7.439 11.678 1.00 0.00 C ATOM 298 O3' G B 10 -6.325 -7.683 10.523 1.00 0.00 O ATOM 299 C2' G B 10 -6.355 -6.830 12.798 1.00 0.00 C ATOM 300 O2' G B 10 -7.575 -7.528 12.957 1.00 0.00 O ATOM 301 C1' G B 10 -5.463 -7.113 14.000 1.00 0.00 C ATOM 302 N9 G B 10 -4.516 -5.985 14.171 1.00 0.00 N ATOM 303 C8 G B 10 -3.191 -5.908 13.826 1.00 0.00 C ATOM 304 N7 G B 10 -2.637 -4.761 14.099 1.00 0.00 N ATOM 305 C5 G B 10 -3.668 -4.016 14.659 1.00 0.00 C ATOM 306 C6 G B 10 -3.668 -2.675 15.143 1.00 0.00 C ATOM 307 O6 G B 10 -2.731 -1.882 15.185 1.00 0.00 O ATOM 308 N1 G B 10 -4.923 -2.297 15.605 1.00 0.00 N ATOM 309 C2 G B 10 -6.039 -3.105 15.612 1.00 0.00 C ATOM 310 N2 G B 10 -7.166 -2.570 16.093 1.00 0.00 N ATOM 311 N3 G B 10 -6.042 -4.367 15.165 1.00 0.00 N ATOM 312 C4 G B 10 -4.826 -4.754 14.702 1.00 0.00 C ATOM 0 H5' G B 10 -3.617 -10.291 12.180 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.178 -9.663 10.643 1.00 0.00 H new ATOM 0 H4' G B 10 -5.872 -9.468 12.340 1.00 0.00 H new ATOM 0 H3' G B 10 -4.737 -6.815 11.293 1.00 0.00 H new ATOM 0 H2' G B 10 -6.607 -5.781 12.642 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.090 -7.124 13.686 1.00 0.00 H new ATOM 0 H1' G B 10 -6.037 -7.224 14.920 1.00 0.00 H new ATOM 0 H8 G B 10 -2.654 -6.726 13.368 1.00 0.00 H new ATOM 0 H1 G B 10 -5.026 -1.349 15.967 1.00 0.00 H new ATOM 0 H21 G B 10 -8.022 -3.124 16.121 1.00 0.00 H new ATOM 0 H22 G B 10 -7.170 -1.608 16.432 1.00 0.00 H new ATOM 324 P A B 11 -6.587 -6.511 9.432 1.00 0.00 P ATOM 325 OP1 A B 11 -7.464 -7.060 8.374 1.00 0.00 O ATOM 326 OP2 A B 11 -5.275 -5.931 9.067 1.00 0.00 O ATOM 327 O5' A B 11 -7.419 -5.389 10.240 1.00 0.00 O ATOM 328 C5' A B 11 -8.761 -5.612 10.614 1.00 0.00 C ATOM 329 C4' A B 11 -9.290 -4.407 11.398 1.00 0.00 C ATOM 330 O4' A B 11 -8.477 -4.136 12.542 1.00 0.00 O ATOM 331 C3' A B 11 -9.294 -3.116 10.605 1.00 0.00 C ATOM 332 O3' A B 11 -10.395 -3.028 9.723 1.00 0.00 O ATOM 333 C2' A B 11 -9.391 -2.101 11.709 1.00 0.00 C ATOM 334 O2' A B 11 -10.714 -2.053 12.201 1.00 0.00 O ATOM 335 C1' A B 11 -8.484 -2.715 12.771 1.00 0.00 C ATOM 336 N9 A B 11 -7.111 -2.172 12.637 1.00 0.00 N ATOM 337 C8 A B 11 -5.966 -2.801 12.214 1.00 0.00 C ATOM 338 N7 A B 11 -4.899 -2.053 12.269 1.00 0.00 N ATOM 339 C5 A B 11 -5.371 -0.836 12.745 1.00 0.00 C ATOM 340 C6 A B 11 -4.737 0.389 13.022 1.00 0.00 C ATOM 341 N6 A B 11 -3.422 0.586 12.865 1.00 0.00 N ATOM 342 N1 A B 11 -5.505 1.406 13.453 1.00 0.00 N ATOM 343 C2 A B 11 -6.811 1.208 13.608 1.00 0.00 C ATOM 344 N3 A B 11 -7.520 0.107 13.399 1.00 0.00 N ATOM 345 C4 A B 11 -6.721 -0.894 12.958 1.00 0.00 C ATOM 0 H5' A B 11 -8.833 -6.513 11.223 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.372 -5.777 9.727 1.00 0.00 H new ATOM 0 H4' A B 11 -10.309 -4.692 11.661 1.00 0.00 H new ATOM 0 H3' A B 11 -8.429 -2.998 9.953 1.00 0.00 H new ATOM 0 H2' A B 11 -9.122 -1.088 11.408 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.335 -2.340 11.499 1.00 0.00 H new ATOM 0 H1' A B 11 -8.841 -2.483 13.774 1.00 0.00 H new ATOM 0 H8 A B 11 -5.950 -3.824 11.867 1.00 0.00 H new ATOM 0 H61 A B 11 -3.013 1.495 13.081 1.00 0.00 H new ATOM 0 H62 A B 11 -2.829 -0.173 12.530 1.00 0.00 H new ATOM 0 H2 A B 11 -7.373 2.064 13.952 1.00 0.00 H new ATOM 357 P U B 12 -10.173 -2.724 8.163 1.00 0.00 P ATOM 358 OP1 U B 12 -11.469 -2.868 7.464 1.00 0.00 O ATOM 359 OP2 U B 12 -8.989 -3.480 7.699 1.00 0.00 O ATOM 360 O5' U B 12 -9.796 -1.162 8.222 1.00 0.00 O ATOM 361 C5' U B 12 -10.777 -0.204 8.569 1.00 0.00 C ATOM 362 C4' U B 12 -10.116 1.147 8.842 1.00 0.00 C ATOM 363 O4' U B 12 -9.236 1.065 9.960 1.00 0.00 O ATOM 364 C3' U B 12 -9.259 1.630 7.692 1.00 0.00 C ATOM 365 O3' U B 12 -10.033 2.181 6.642 1.00 0.00 O ATOM 366 C2' U B 12 -8.428 2.672 8.402 1.00 0.00 C ATOM 367 O2' U B 12 -9.198 3.838 8.599 1.00 0.00 O ATOM 368 C1' U B 12 -8.183 2.017 9.764 1.00 0.00 C ATOM 369 N1 U B 12 -6.864 1.339 9.775 1.00 0.00 N ATOM 370 C2 U B 12 -5.752 2.132 10.003 1.00 0.00 C ATOM 371 O2 U B 12 -5.849 3.342 10.196 1.00 0.00 O ATOM 372 N3 U B 12 -4.524 1.490 10.004 1.00 0.00 N ATOM 373 C4 U B 12 -4.318 0.136 9.787 1.00 0.00 C ATOM 374 O4 U B 12 -3.182 -0.332 9.796 1.00 0.00 O ATOM 375 C5 U B 12 -5.535 -0.621 9.571 1.00 0.00 C ATOM 376 C6 U B 12 -6.745 -0.013 9.573 1.00 0.00 C ATOM 0 H5' U B 12 -11.324 -0.535 9.452 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.503 -0.106 7.762 1.00 0.00 H new ATOM 0 H4' U B 12 -10.945 1.834 9.012 1.00 0.00 H new ATOM 0 H3' U B 12 -8.683 0.852 7.192 1.00 0.00 H new ATOM 0 H2' U B 12 -7.524 2.954 7.862 1.00 0.00 H new ATOM 0 HO2' U B 12 -10.088 3.712 8.210 1.00 0.00 H new ATOM 0 H1' U B 12 -8.177 2.760 10.562 1.00 0.00 H new ATOM 0 H3 U B 12 -3.699 2.064 10.180 1.00 0.00 H new ATOM 0 H5 U B 12 -5.476 -1.687 9.406 1.00 0.00 H new ATOM 0 H6 U B 12 -7.634 -0.604 9.412 1.00 0.00 H new ATOM 387 P G B 13 -9.350 2.591 5.239 1.00 0.00 P ATOM 388 OP1 G B 13 -10.421 3.021 4.313 1.00 0.00 O ATOM 389 OP2 G B 13 -8.431 1.501 4.843 1.00 0.00 O ATOM 390 O5' G B 13 -8.463 3.882 5.613 1.00 0.00 O ATOM 391 C5' G B 13 -9.066 5.145 5.823 1.00 0.00 C ATOM 392 C4' G B 13 -7.981 6.170 6.161 1.00 0.00 C ATOM 393 O4' G B 13 -7.266 5.797 7.335 1.00 0.00 O ATOM 394 C3' G B 13 -6.925 6.249 5.079 1.00 0.00 C ATOM 395 O3' G B 13 -7.349 7.012 3.960 1.00 0.00 O ATOM 396 C2' G B 13 -5.808 6.925 5.834 1.00 0.00 C ATOM 397 O2' G B 13 -6.010 8.323 5.842 1.00 0.00 O ATOM 398 C1' G B 13 -5.967 6.395 7.253 1.00 0.00 C ATOM 399 N9 G B 13 -4.911 5.402 7.519 1.00 0.00 N ATOM 400 C8 G B 13 -4.967 4.041 7.422 1.00 0.00 C ATOM 401 N7 G B 13 -3.841 3.441 7.698 1.00 0.00 N ATOM 402 C5 G B 13 -2.970 4.487 7.993 1.00 0.00 C ATOM 403 C6 G B 13 -1.590 4.463 8.360 1.00 0.00 C ATOM 404 O6 G B 13 -0.852 3.493 8.522 1.00 0.00 O ATOM 405 N1 G B 13 -1.092 5.744 8.540 1.00 0.00 N ATOM 406 C2 G B 13 -1.814 6.906 8.402 1.00 0.00 C ATOM 407 N2 G B 13 -1.156 8.048 8.625 1.00 0.00 N ATOM 408 N3 G B 13 -3.107 6.936 8.065 1.00 0.00 N ATOM 409 C4 G B 13 -3.619 5.693 7.876 1.00 0.00 C ATOM 0 H5' G B 13 -9.792 5.085 6.634 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.610 5.454 4.931 1.00 0.00 H new ATOM 0 H4' G B 13 -8.509 7.116 6.281 1.00 0.00 H new ATOM 0 H3' G B 13 -6.662 5.287 4.639 1.00 0.00 H new ATOM 0 H2' G B 13 -4.827 6.733 5.400 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.766 8.548 5.260 1.00 0.00 H new ATOM 0 H1' G B 13 -5.875 7.189 7.994 1.00 0.00 H new ATOM 0 H8 G B 13 -5.864 3.508 7.142 1.00 0.00 H new ATOM 0 H1 G B 13 -0.109 5.832 8.796 1.00 0.00 H new ATOM 0 H21 G B 13 -1.641 8.941 8.537 1.00 0.00 H new ATOM 0 H22 G B 13 -0.169 8.026 8.883 1.00 0.00 H new ATOM 421 P U B 14 -6.527 6.973 2.566 1.00 0.00 P ATOM 422 OP1 U B 14 -7.253 7.808 1.583 1.00 0.00 O ATOM 423 OP2 U B 14 -6.241 5.556 2.251 1.00 0.00 O ATOM 424 O5' U B 14 -5.120 7.701 2.894 1.00 0.00 O ATOM 425 C5' U B 14 -5.007 9.111 2.910 1.00 0.00 C ATOM 426 C4' U B 14 -3.541 9.519 3.149 1.00 0.00 C ATOM 427 O4' U B 14 -3.072 9.103 4.439 1.00 0.00 O ATOM 428 C3' U B 14 -2.582 8.883 2.153 1.00 0.00 C ATOM 429 O3' U B 14 -2.558 9.532 0.899 1.00 0.00 O ATOM 430 C2' U B 14 -1.282 9.075 2.889 1.00 0.00 C ATOM 431 O2' U B 14 -0.887 10.430 2.824 1.00 0.00 O ATOM 432 C1' U B 14 -1.675 8.758 4.318 1.00 0.00 C ATOM 433 N1 U B 14 -1.477 7.315 4.608 1.00 0.00 N ATOM 434 C2 U B 14 -0.257 6.928 5.146 1.00 0.00 C ATOM 435 O2 U B 14 0.662 7.723 5.330 1.00 0.00 O ATOM 436 N3 U B 14 -0.129 5.588 5.468 1.00 0.00 N ATOM 437 C4 U B 14 -1.099 4.614 5.303 1.00 0.00 C ATOM 438 O4 U B 14 -0.870 3.446 5.606 1.00 0.00 O ATOM 439 C5 U B 14 -2.343 5.109 4.757 1.00 0.00 C ATOM 440 C6 U B 14 -2.486 6.412 4.427 1.00 0.00 C ATOM 0 H5' U B 14 -5.641 9.526 3.693 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.358 9.523 1.964 1.00 0.00 H new ATOM 0 H4' U B 14 -3.547 10.604 3.049 1.00 0.00 H new ATOM 0 H3' U B 14 -2.837 7.856 1.892 1.00 0.00 H new ATOM 0 H2' U B 14 -0.465 8.472 2.493 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.389 10.883 2.115 1.00 0.00 H new ATOM 0 H1' U B 14 -1.062 9.316 5.026 1.00 0.00 H new ATOM 0 H3 U B 14 0.763 5.290 5.864 1.00 0.00 H new ATOM 0 H5 U B 14 -3.169 4.429 4.611 1.00 0.00 H new ATOM 0 H6 U B 14 -3.423 6.748 4.009 1.00 0.00 H new ATOM 451 P C B 15 -1.842 8.832 -0.374 1.00 0.00 P ATOM 452 OP1 C B 15 -1.857 9.796 -1.496 1.00 0.00 O ATOM 453 OP2 C B 15 -2.447 7.493 -0.551 1.00 0.00 O ATOM 454 O5' C B 15 -0.305 8.624 0.092 1.00 0.00 O ATOM 455 C5' C B 15 0.608 9.704 0.106 1.00 0.00 C ATOM 456 C4' C B 15 1.998 9.211 0.536 1.00 0.00 C ATOM 457 O4' C B 15 1.990 8.642 1.850 1.00 0.00 O ATOM 458 C3' C B 15 2.519 8.107 -0.357 1.00 0.00 C ATOM 459 O3' C B 15 2.985 8.592 -1.603 1.00 0.00 O ATOM 460 C2' C B 15 3.643 7.582 0.506 1.00 0.00 C ATOM 461 O2' C B 15 4.742 8.465 0.443 1.00 0.00 O ATOM 462 C1' C B 15 3.042 7.655 1.911 1.00 0.00 C ATOM 463 N1 C B 15 2.509 6.323 2.306 1.00 0.00 N ATOM 464 C2 C B 15 3.435 5.347 2.665 1.00 0.00 C ATOM 465 O2 C B 15 4.638 5.603 2.664 1.00 0.00 O ATOM 466 N3 C B 15 2.974 4.113 3.014 1.00 0.00 N ATOM 467 C4 C B 15 1.662 3.843 3.006 1.00 0.00 C ATOM 468 N4 C B 15 1.251 2.621 3.358 1.00 0.00 N ATOM 469 C5 C B 15 0.698 4.835 2.642 1.00 0.00 C ATOM 470 C6 C B 15 1.166 6.056 2.308 1.00 0.00 C ATOM 0 H5' C B 15 0.259 10.477 0.791 1.00 0.00 H new ATOM 0 H5'' C B 15 0.664 10.157 -0.884 1.00 0.00 H new ATOM 0 H4' C B 15 2.623 10.102 0.484 1.00 0.00 H new ATOM 0 H3' C B 15 1.774 7.365 -0.645 1.00 0.00 H new ATOM 0 H2' C B 15 3.990 6.591 0.212 1.00 0.00 H new ATOM 0 HO2' C B 15 4.595 9.119 -0.272 1.00 0.00 H new ATOM 0 H1' C B 15 3.787 7.933 2.657 1.00 0.00 H new ATOM 0 H41 C B 15 0.256 2.398 3.358 1.00 0.00 H new ATOM 0 H42 C B 15 1.933 1.912 3.627 1.00 0.00 H new ATOM 0 H5 C B 15 -0.360 4.616 2.635 1.00 0.00 H new ATOM 0 H6 C B 15 0.469 6.836 2.038 1.00 0.00 H new ATOM 482 P C B 16 3.293 7.578 -2.821 1.00 0.00 P ATOM 483 OP1 C B 16 3.776 8.373 -3.972 1.00 0.00 O ATOM 484 OP2 C B 16 2.118 6.694 -2.984 1.00 0.00 O ATOM 485 O5' C B 16 4.518 6.680 -2.285 1.00 0.00 O ATOM 486 C5' C B 16 5.838 7.183 -2.260 1.00 0.00 C ATOM 487 C4' C B 16 6.783 6.087 -1.759 1.00 0.00 C ATOM 488 O4' C B 16 6.450 5.674 -0.438 1.00 0.00 O ATOM 489 C3' C B 16 6.684 4.830 -2.598 1.00 0.00 C ATOM 490 O3' C B 16 7.405 4.931 -3.806 1.00 0.00 O ATOM 491 C2' C B 16 7.310 3.821 -1.670 1.00 0.00 C ATOM 492 O2' C B 16 8.718 3.908 -1.759 1.00 0.00 O ATOM 493 C1' C B 16 6.859 4.304 -0.291 1.00 0.00 C ATOM 494 N1 C B 16 5.717 3.468 0.143 1.00 0.00 N ATOM 495 C2 C B 16 6.006 2.251 0.754 1.00 0.00 C ATOM 496 O2 C B 16 7.171 1.936 0.989 1.00 0.00 O ATOM 497 N3 C B 16 4.970 1.427 1.075 1.00 0.00 N ATOM 498 C4 C B 16 3.706 1.773 0.795 1.00 0.00 C ATOM 499 N4 C B 16 2.718 0.938 1.129 1.00 0.00 N ATOM 500 C5 C B 16 3.400 3.010 0.140 1.00 0.00 C ATOM 501 C6 C B 16 4.433 3.819 -0.159 1.00 0.00 C ATOM 0 H5' C B 16 5.896 8.055 -1.609 1.00 0.00 H new ATOM 0 H5'' C B 16 6.135 7.509 -3.257 1.00 0.00 H new ATOM 0 H4' C B 16 7.779 6.527 -1.810 1.00 0.00 H new ATOM 0 H3' C B 16 5.670 4.593 -2.918 1.00 0.00 H new ATOM 0 H2' C B 16 7.029 2.791 -1.889 1.00 0.00 H new ATOM 0 HO2' C B 16 8.971 4.215 -2.655 1.00 0.00 H new ATOM 0 HO3' C B 16 7.313 4.097 -4.312 1.00 0.00 H new ATOM 0 H1' C B 16 7.654 4.228 0.451 1.00 0.00 H new ATOM 0 H41 C B 16 1.750 1.185 0.923 1.00 0.00 H new ATOM 0 H42 C B 16 2.932 0.053 1.590 1.00 0.00 H new ATOM 0 H5 C B 16 2.383 3.282 -0.103 1.00 0.00 H new ATOM 0 H6 C B 16 4.243 4.763 -0.647 1.00 0.00 H new TER 514 C B 16