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= -0.468 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0162 USER MOD Single : A 2 G O2' : rot 180:sc= -0.49 USER MOD Single : A 3 A O2' : rot -12:sc= -0.921 USER MOD Single : A 4 G O2' : rot -20:sc= -0.166 USER MOD Single : A 5 U O2' : rot -5:sc= 0.128 USER MOD Single : A 6 U O2' : rot -20:sc= 0.061 USER MOD Single : A 7 C O2' : rot -11:sc= -0.453 USER MOD Single : A 8 C O2' : rot -25:sc= 0.216 USER MOD Single : A 8 C O3' : rot 180:sc= 0.204 USER MOD Single : B 9 G O2' : rot 180:sc= -0.467 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00571 USER MOD Single : B 10 G O2' : rot 180:sc= -0.459 USER MOD Single : B 11 A O2' : rot -12:sc= -0.94 USER MOD Single : B 12 G O2' : rot -17:sc= -0.578 USER MOD Single : B 13 U O2' : rot -6:sc= 0.131 USER MOD Single : B 14 U O2' : rot -13:sc= -0.456 USER MOD Single : B 15 C O2' : rot -9:sc= -0.479 USER MOD Single : B 16 C O2' : rot -23:sc= 0.17 USER MOD Single : B 16 C O3' : rot 180:sc= 0.208 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 4.551 -8.004 4.481 1.00 0.00 O ATOM 2 C5' G A 1 5.891 -8.419 4.329 1.00 0.00 C ATOM 3 C4' G A 1 6.759 -7.236 3.891 1.00 0.00 C ATOM 4 O4' G A 1 6.347 -6.727 2.622 1.00 0.00 O ATOM 5 C3' G A 1 6.664 -6.059 4.842 1.00 0.00 C ATOM 6 O3' G A 1 7.440 -6.233 6.011 1.00 0.00 O ATOM 7 C2' G A 1 7.210 -4.966 3.960 1.00 0.00 C ATOM 8 O2' G A 1 8.613 -5.087 3.848 1.00 0.00 O ATOM 9 C1' G A 1 6.584 -5.308 2.618 1.00 0.00 C ATOM 10 N9 G A 1 5.306 -4.581 2.463 1.00 0.00 N ATOM 11 C8 G A 1 4.024 -5.033 2.645 1.00 0.00 C ATOM 12 N7 G A 1 3.108 -4.133 2.418 1.00 0.00 N ATOM 13 C5 G A 1 3.834 -3.000 2.060 1.00 0.00 C ATOM 14 C6 G A 1 3.380 -1.698 1.696 1.00 0.00 C ATOM 15 O6 G A 1 2.224 -1.288 1.621 1.00 0.00 O ATOM 16 N1 G A 1 4.442 -0.849 1.404 1.00 0.00 N ATOM 17 C2 G A 1 5.773 -1.201 1.457 1.00 0.00 C ATOM 18 N2 G A 1 6.661 -0.248 1.153 1.00 0.00 N ATOM 19 N3 G A 1 6.203 -2.421 1.795 1.00 0.00 N ATOM 20 C4 G A 1 5.181 -3.267 2.084 1.00 0.00 C ATOM 0 H5' G A 1 5.951 -9.218 3.590 1.00 0.00 H new ATOM 0 H5'' G A 1 6.263 -8.825 5.269 1.00 0.00 H new ATOM 0 H4' G A 1 7.773 -7.634 3.864 1.00 0.00 H new ATOM 0 H3' G A 1 5.664 -5.880 5.238 1.00 0.00 H new ATOM 0 H2' G A 1 6.998 -3.961 4.326 1.00 0.00 H new ATOM 0 HO2' G A 1 8.958 -4.373 3.272 1.00 0.00 H new ATOM 0 HO5' G A 1 4.002 -8.766 4.760 1.00 0.00 H new ATOM 0 H1' G A 1 7.236 -5.023 1.793 1.00 0.00 H new ATOM 0 H8 G A 1 3.794 -6.043 2.949 1.00 0.00 H new ATOM 0 H1 G A 1 4.218 0.108 1.130 1.00 0.00 H new ATOM 0 H21 G A 1 7.659 -0.455 1.177 1.00 0.00 H new ATOM 0 H22 G A 1 6.340 0.686 0.898 1.00 0.00 H new ATOM 33 P G A 2 7.288 -5.215 7.258 1.00 0.00 P ATOM 34 OP1 G A 2 8.201 -5.666 8.331 1.00 0.00 O ATOM 35 OP2 G A 2 5.844 -5.061 7.542 1.00 0.00 O ATOM 36 O5' G A 2 7.838 -3.807 6.690 1.00 0.00 O ATOM 37 C5' G A 2 9.222 -3.580 6.526 1.00 0.00 C ATOM 38 C4' G A 2 9.469 -2.140 6.061 1.00 0.00 C ATOM 39 O4' G A 2 8.873 -1.857 4.794 1.00 0.00 O ATOM 40 C3' G A 2 8.892 -1.115 7.013 1.00 0.00 C ATOM 41 O3' G A 2 9.673 -0.941 8.179 1.00 0.00 O ATOM 42 C2' G A 2 8.927 0.097 6.126 1.00 0.00 C ATOM 43 O2' G A 2 10.259 0.538 5.962 1.00 0.00 O ATOM 44 C1' G A 2 8.440 -0.483 4.814 1.00 0.00 C ATOM 45 N9 G A 2 6.971 -0.445 4.731 1.00 0.00 N ATOM 46 C8 G A 2 6.087 -1.467 4.931 1.00 0.00 C ATOM 47 N7 G A 2 4.842 -1.142 4.721 1.00 0.00 N ATOM 48 C5 G A 2 4.905 0.198 4.347 1.00 0.00 C ATOM 49 C6 G A 2 3.861 1.097 3.974 1.00 0.00 C ATOM 50 O6 G A 2 2.654 0.878 3.907 1.00 0.00 O ATOM 51 N1 G A 2 4.359 2.356 3.658 1.00 0.00 N ATOM 52 C2 G A 2 5.691 2.710 3.684 1.00 0.00 C ATOM 53 N2 G A 2 5.985 3.971 3.349 1.00 0.00 N ATOM 54 N3 G A 2 6.674 1.868 4.027 1.00 0.00 N ATOM 55 C4 G A 2 6.209 0.633 4.347 1.00 0.00 C ATOM 0 H5' G A 2 9.629 -4.281 5.797 1.00 0.00 H new ATOM 0 H5'' G A 2 9.742 -3.761 7.467 1.00 0.00 H new ATOM 0 H4' G A 2 10.555 -2.068 6.010 1.00 0.00 H new ATOM 0 H3' G A 2 7.913 -1.373 7.417 1.00 0.00 H new ATOM 0 H2' G A 2 8.351 0.942 6.503 1.00 0.00 H new ATOM 0 HO2' G A 2 10.273 1.327 5.382 1.00 0.00 H new ATOM 0 H1' G A 2 8.836 0.091 3.976 1.00 0.00 H new ATOM 0 H8 G A 2 6.392 -2.457 5.236 1.00 0.00 H new ATOM 0 H1 G A 2 3.687 3.073 3.386 1.00 0.00 H new ATOM 0 H21 G A 2 6.955 4.286 3.351 1.00 0.00 H new ATOM 0 H22 G A 2 5.239 4.617 3.091 1.00 0.00 H new ATOM 67 P A A 3 9.082 -0.147 9.455 1.00 0.00 P ATOM 68 OP1 A A 3 10.156 -0.036 10.466 1.00 0.00 O ATOM 69 OP2 A A 3 7.792 -0.772 9.821 1.00 0.00 O ATOM 70 O5' A A 3 8.773 1.331 8.886 1.00 0.00 O ATOM 71 C5' A A 3 9.817 2.247 8.632 1.00 0.00 C ATOM 72 C4' A A 3 9.230 3.571 8.133 1.00 0.00 C ATOM 73 O4' A A 3 8.512 3.422 6.914 1.00 0.00 O ATOM 74 C3' A A 3 8.256 4.177 9.120 1.00 0.00 C ATOM 75 O3' A A 3 8.922 4.823 10.188 1.00 0.00 O ATOM 76 C2' A A 3 7.542 5.161 8.225 1.00 0.00 C ATOM 77 O2' A A 3 8.380 6.269 7.977 1.00 0.00 O ATOM 78 C1' A A 3 7.430 4.367 6.919 1.00 0.00 C ATOM 79 N9 A A 3 6.172 3.617 6.884 1.00 0.00 N ATOM 80 C8 A A 3 5.980 2.287 7.113 1.00 0.00 C ATOM 81 N7 A A 3 4.742 1.899 6.985 1.00 0.00 N ATOM 82 C5 A A 3 4.069 3.065 6.630 1.00 0.00 C ATOM 83 C6 A A 3 2.723 3.333 6.327 1.00 0.00 C ATOM 84 N6 A A 3 1.766 2.400 6.354 1.00 0.00 N ATOM 85 N1 A A 3 2.400 4.595 5.985 1.00 0.00 N ATOM 86 C2 A A 3 3.354 5.522 5.953 1.00 0.00 C ATOM 87 N3 A A 3 4.647 5.396 6.220 1.00 0.00 N ATOM 88 C4 A A 3 4.938 4.117 6.557 1.00 0.00 C ATOM 0 H5' A A 3 10.501 1.838 7.888 1.00 0.00 H new ATOM 0 H5'' A A 3 10.397 2.414 9.540 1.00 0.00 H new ATOM 0 H4' A A 3 10.098 4.216 7.996 1.00 0.00 H new ATOM 0 H3' A A 3 7.605 3.458 9.618 1.00 0.00 H new ATOM 0 H2' A A 3 6.601 5.525 8.637 1.00 0.00 H new ATOM 0 HO2' A A 3 9.145 6.244 8.588 1.00 0.00 H new ATOM 0 H1' A A 3 7.464 5.042 6.064 1.00 0.00 H new ATOM 0 H8 A A 3 6.782 1.614 7.377 1.00 0.00 H new ATOM 0 H61 A A 3 0.804 2.650 6.125 1.00 0.00 H new ATOM 0 H62 A A 3 1.998 1.439 6.604 1.00 0.00 H new ATOM 0 H2 A A 3 3.031 6.513 5.671 1.00 0.00 H new ATOM 100 P G A 4 8.132 5.220 11.534 1.00 0.00 P ATOM 101 OP1 G A 4 9.048 6.004 12.392 1.00 0.00 O ATOM 102 OP2 G A 4 7.499 3.994 12.067 1.00 0.00 O ATOM 103 O5' G A 4 6.965 6.198 11.020 1.00 0.00 O ATOM 104 C5' G A 4 7.242 7.522 10.611 1.00 0.00 C ATOM 105 C4' G A 4 5.948 8.200 10.228 1.00 0.00 C ATOM 106 O4' G A 4 5.353 7.565 9.110 1.00 0.00 O ATOM 107 C3' G A 4 4.925 8.105 11.312 1.00 0.00 C ATOM 108 O3' G A 4 5.195 8.993 12.383 1.00 0.00 O ATOM 109 C2' G A 4 3.730 8.538 10.513 1.00 0.00 C ATOM 110 O2' G A 4 3.822 9.924 10.248 1.00 0.00 O ATOM 111 C1' G A 4 3.952 7.793 9.207 1.00 0.00 C ATOM 112 N9 G A 4 3.220 6.511 9.189 1.00 0.00 N ATOM 113 C8 G A 4 3.701 5.239 9.352 1.00 0.00 C ATOM 114 N7 G A 4 2.793 4.309 9.223 1.00 0.00 N ATOM 115 C5 G A 4 1.622 5.017 8.958 1.00 0.00 C ATOM 116 C6 G A 4 0.292 4.549 8.722 1.00 0.00 C ATOM 117 O6 G A 4 -0.125 3.391 8.688 1.00 0.00 O ATOM 118 N1 G A 4 -0.586 5.603 8.516 1.00 0.00 N ATOM 119 C2 G A 4 -0.243 6.935 8.515 1.00 0.00 C ATOM 120 N2 G A 4 -1.232 7.807 8.289 1.00 0.00 N ATOM 121 N3 G A 4 0.999 7.378 8.722 1.00 0.00 N ATOM 122 C4 G A 4 1.877 6.368 8.941 1.00 0.00 C ATOM 0 H5' G A 4 7.930 7.519 9.765 1.00 0.00 H new ATOM 0 H5'' G A 4 7.730 8.070 11.417 1.00 0.00 H new ATOM 0 H4' G A 4 6.216 9.236 10.023 1.00 0.00 H new ATOM 0 H3' G A 4 4.846 7.138 11.808 1.00 0.00 H new ATOM 0 H2' G A 4 2.774 8.347 11.001 1.00 0.00 H new ATOM 0 HO2' G A 4 4.436 10.339 10.889 1.00 0.00 H new ATOM 0 H1' G A 4 3.581 8.376 8.364 1.00 0.00 H new ATOM 0 H8 G A 4 4.737 5.024 9.568 1.00 0.00 H new ATOM 0 H1 G A 4 -1.566 5.371 8.352 1.00 0.00 H new ATOM 0 H21 G A 4 -1.036 8.808 8.277 1.00 0.00 H new ATOM 0 H22 G A 4 -2.182 7.471 8.129 1.00 0.00 H new ATOM 134 P U A 5 4.476 8.811 13.816 1.00 0.00 P ATOM 135 OP1 U A 5 4.781 10.003 14.639 1.00 0.00 O ATOM 136 OP2 U A 5 4.812 7.463 14.324 1.00 0.00 O ATOM 137 O5' U A 5 2.907 8.831 13.465 1.00 0.00 O ATOM 138 C5' U A 5 2.233 10.030 13.145 1.00 0.00 C ATOM 139 C4' U A 5 0.771 9.702 12.837 1.00 0.00 C ATOM 140 O4' U A 5 0.653 8.805 11.736 1.00 0.00 O ATOM 141 C3' U A 5 0.110 9.012 14.015 1.00 0.00 C ATOM 142 O3' U A 5 -0.365 9.935 14.986 1.00 0.00 O ATOM 143 C2' U A 5 -1.004 8.271 13.354 1.00 0.00 C ATOM 144 O2' U A 5 -2.105 9.134 13.156 1.00 0.00 O ATOM 145 C1' U A 5 -0.421 7.895 12.006 1.00 0.00 C ATOM 146 N1 U A 5 0.077 6.501 11.996 1.00 0.00 N ATOM 147 C2 U A 5 -0.841 5.497 11.726 1.00 0.00 C ATOM 148 O2 U A 5 -2.030 5.740 11.531 1.00 0.00 O ATOM 149 N3 U A 5 -0.344 4.202 11.684 1.00 0.00 N ATOM 150 C4 U A 5 0.988 3.843 11.849 1.00 0.00 C ATOM 151 O4 U A 5 1.328 2.664 11.804 1.00 0.00 O ATOM 152 C5 U A 5 1.879 4.968 12.059 1.00 0.00 C ATOM 153 C6 U A 5 1.406 6.224 12.127 1.00 0.00 C ATOM 0 H5' U A 5 2.702 10.510 12.286 1.00 0.00 H new ATOM 0 H5'' U A 5 2.296 10.733 13.976 1.00 0.00 H new ATOM 0 H4' U A 5 0.292 10.655 12.612 1.00 0.00 H new ATOM 0 H3' U A 5 0.789 8.373 14.579 1.00 0.00 H new ATOM 0 H2' U A 5 -1.353 7.418 13.936 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.916 10.004 13.565 1.00 0.00 H new ATOM 0 H1' U A 5 -1.194 7.960 11.241 1.00 0.00 H new ATOM 0 H3 U A 5 -1.013 3.450 11.518 1.00 0.00 H new ATOM 0 H5 U A 5 2.940 4.793 12.162 1.00 0.00 H new ATOM 0 H6 U A 5 2.098 7.037 12.290 1.00 0.00 H new ATOM 164 P U A 6 -0.938 9.427 16.415 1.00 0.00 P ATOM 165 OP1 U A 6 -1.091 10.610 17.291 1.00 0.00 O ATOM 166 OP2 U A 6 -0.097 8.294 16.859 1.00 0.00 O ATOM 167 O5' U A 6 -2.420 8.851 16.094 1.00 0.00 O ATOM 168 C5' U A 6 -3.538 9.718 15.964 1.00 0.00 C ATOM 169 C4' U A 6 -4.829 8.888 15.815 1.00 0.00 C ATOM 170 O4' U A 6 -4.841 8.142 14.604 1.00 0.00 O ATOM 171 C3' U A 6 -4.992 7.865 16.928 1.00 0.00 C ATOM 172 O3' U A 6 -5.500 8.419 18.127 1.00 0.00 O ATOM 173 C2' U A 6 -6.001 6.956 16.290 1.00 0.00 C ATOM 174 O2' U A 6 -7.268 7.579 16.304 1.00 0.00 O ATOM 175 C1' U A 6 -5.516 6.900 14.859 1.00 0.00 C ATOM 176 N1 U A 6 -4.575 5.780 14.660 1.00 0.00 N ATOM 177 C2 U A 6 -5.094 4.518 14.411 1.00 0.00 C ATOM 178 O2 U A 6 -6.300 4.285 14.439 1.00 0.00 O ATOM 179 N3 U A 6 -4.167 3.529 14.121 1.00 0.00 N ATOM 180 C4 U A 6 -2.792 3.696 14.046 1.00 0.00 C ATOM 181 O4 U A 6 -2.059 2.750 13.776 1.00 0.00 O ATOM 182 C5 U A 6 -2.352 5.044 14.310 1.00 0.00 C ATOM 183 C6 U A 6 -3.240 6.015 14.606 1.00 0.00 C ATOM 0 H5' U A 6 -3.409 10.365 15.096 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.610 10.366 16.837 1.00 0.00 H new ATOM 0 H4' U A 6 -5.634 9.623 15.840 1.00 0.00 H new ATOM 0 H3' U A 6 -4.057 7.401 17.242 1.00 0.00 H new ATOM 0 H2' U A 6 -6.093 5.987 16.781 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.278 8.284 16.985 1.00 0.00 H new ATOM 0 H1' U A 6 -6.356 6.747 14.182 1.00 0.00 H new ATOM 0 H3 U A 6 -4.530 2.592 13.947 1.00 0.00 H new ATOM 0 H5 U A 6 -1.299 5.279 14.270 1.00 0.00 H new ATOM 0 H6 U A 6 -2.876 7.012 14.807 1.00 0.00 H new ATOM 194 P C A 7 -5.442 7.581 19.511 1.00 0.00 P ATOM 195 OP1 C A 7 -6.150 8.363 20.548 1.00 0.00 O ATOM 196 OP2 C A 7 -4.037 7.175 19.732 1.00 0.00 O ATOM 197 O5' C A 7 -6.305 6.241 19.216 1.00 0.00 O ATOM 198 C5' C A 7 -7.720 6.241 19.288 1.00 0.00 C ATOM 199 C4' C A 7 -8.248 4.810 19.104 1.00 0.00 C ATOM 200 O4' C A 7 -7.907 4.264 17.824 1.00 0.00 O ATOM 201 C3' C A 7 -7.650 3.857 20.117 1.00 0.00 C ATOM 202 O3' C A 7 -8.271 3.959 21.385 1.00 0.00 O ATOM 203 C2' C A 7 -7.948 2.539 19.449 1.00 0.00 C ATOM 204 O2' C A 7 -9.313 2.216 19.614 1.00 0.00 O ATOM 205 C1' C A 7 -7.704 2.844 17.984 1.00 0.00 C ATOM 206 N1 C A 7 -6.324 2.465 17.586 1.00 0.00 N ATOM 207 C2 C A 7 -6.087 1.130 17.267 1.00 0.00 C ATOM 208 O2 C A 7 -6.990 0.300 17.355 1.00 0.00 O ATOM 209 N3 C A 7 -4.837 0.776 16.856 1.00 0.00 N ATOM 210 C4 C A 7 -3.860 1.690 16.760 1.00 0.00 C ATOM 211 N4 C A 7 -2.650 1.299 16.347 1.00 0.00 N ATOM 212 C5 C A 7 -4.095 3.069 17.078 1.00 0.00 C ATOM 213 C6 C A 7 -5.337 3.400 17.480 1.00 0.00 C ATOM 0 H5' C A 7 -8.133 6.893 18.518 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.045 6.638 20.250 1.00 0.00 H new ATOM 0 H4' C A 7 -9.328 4.898 19.220 1.00 0.00 H new ATOM 0 H3' C A 7 -6.597 4.033 20.338 1.00 0.00 H new ATOM 0 H2' C A 7 -7.356 1.714 19.845 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.717 2.826 20.265 1.00 0.00 H new ATOM 0 H1' C A 7 -8.382 2.274 17.349 1.00 0.00 H new ATOM 0 H41 C A 7 -1.894 1.979 16.267 1.00 0.00 H new ATOM 0 H42 C A 7 -2.483 0.321 16.112 1.00 0.00 H new ATOM 0 H5 C A 7 -3.312 3.808 16.999 1.00 0.00 H new ATOM 0 H6 C A 7 -5.556 4.429 17.724 1.00 0.00 H new ATOM 225 P C A 8 -7.625 3.244 22.681 1.00 0.00 P ATOM 226 OP1 C A 8 -8.529 3.467 23.831 1.00 0.00 O ATOM 227 OP2 C A 8 -6.208 3.660 22.771 1.00 0.00 O ATOM 228 O5' C A 8 -7.659 1.678 22.313 1.00 0.00 O ATOM 229 C5' C A 8 -8.857 0.933 22.390 1.00 0.00 C ATOM 230 C4' C A 8 -8.580 -0.503 21.939 1.00 0.00 C ATOM 231 O4' C A 8 -8.089 -0.545 20.603 1.00 0.00 O ATOM 232 C3' C A 8 -7.496 -1.152 22.771 1.00 0.00 C ATOM 233 O3' C A 8 -7.979 -1.613 24.014 1.00 0.00 O ATOM 234 C2' C A 8 -7.098 -2.297 21.876 1.00 0.00 C ATOM 235 O2' C A 8 -7.998 -3.371 22.052 1.00 0.00 O ATOM 236 C1' C A 8 -7.265 -1.715 20.473 1.00 0.00 C ATOM 237 N1 C A 8 -5.922 -1.355 19.953 1.00 0.00 N ATOM 238 C2 C A 8 -5.169 -2.358 19.352 1.00 0.00 C ATOM 239 O2 C A 8 -5.642 -3.482 19.198 1.00 0.00 O ATOM 240 N3 C A 8 -3.901 -2.059 18.950 1.00 0.00 N ATOM 241 C4 C A 8 -3.391 -0.832 19.136 1.00 0.00 C ATOM 242 N4 C A 8 -2.145 -0.579 18.724 1.00 0.00 N ATOM 243 C5 C A 8 -4.152 0.202 19.770 1.00 0.00 C ATOM 244 C6 C A 8 -5.406 -0.112 20.157 1.00 0.00 C ATOM 0 H5' C A 8 -9.623 1.385 21.759 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.240 0.940 23.411 1.00 0.00 H new ATOM 0 H4' C A 8 -9.533 -1.022 22.040 1.00 0.00 H new ATOM 0 H3' C A 8 -6.682 -0.479 23.040 1.00 0.00 H new ATOM 0 H2' C A 8 -6.095 -2.674 22.074 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.400 -3.318 22.944 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.246 -2.026 24.517 1.00 0.00 H new ATOM 0 H1' C A 8 -7.726 -2.422 19.784 1.00 0.00 H new ATOM 0 H41 C A 8 -1.742 0.348 18.858 1.00 0.00 H new ATOM 0 H42 C A 8 -1.597 -1.313 18.276 1.00 0.00 H new ATOM 0 H5 C A 8 -3.741 1.188 19.931 1.00 0.00 H new ATOM 0 H6 C A 8 -6.014 0.639 20.639 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.777 -8.517 15.003 1.00 0.00 O ATOM 259 C5' G B 9 3.247 -9.816 15.173 1.00 0.00 C ATOM 260 C4' G B 9 1.785 -9.739 15.623 1.00 0.00 C ATOM 261 O4' G B 9 1.660 -9.092 16.889 1.00 0.00 O ATOM 262 C3' G B 9 0.916 -8.928 14.683 1.00 0.00 C ATOM 263 O3' G B 9 0.577 -9.627 13.503 1.00 0.00 O ATOM 264 C2' G B 9 -0.278 -8.705 15.573 1.00 0.00 C ATOM 265 O2' G B 9 -1.026 -9.897 15.679 1.00 0.00 O ATOM 266 C1' G B 9 0.384 -8.428 16.915 1.00 0.00 C ATOM 267 N9 G B 9 0.573 -6.973 17.086 1.00 0.00 N ATOM 268 C8 G B 9 1.702 -6.217 16.897 1.00 0.00 C ATOM 269 N7 G B 9 1.535 -4.947 17.140 1.00 0.00 N ATOM 270 C5 G B 9 0.199 -4.851 17.518 1.00 0.00 C ATOM 271 C6 G B 9 -0.566 -3.711 17.904 1.00 0.00 C ATOM 272 O6 G B 9 -0.200 -2.541 17.987 1.00 0.00 O ATOM 273 N1 G B 9 -1.879 -4.054 18.210 1.00 0.00 N ATOM 274 C2 G B 9 -2.397 -5.330 18.149 1.00 0.00 C ATOM 275 N2 G B 9 -3.687 -5.471 18.468 1.00 0.00 N ATOM 276 N3 G B 9 -1.683 -6.401 17.789 1.00 0.00 N ATOM 277 C4 G B 9 -0.397 -6.088 17.488 1.00 0.00 C ATOM 0 H5' G B 9 3.834 -10.362 15.912 1.00 0.00 H new ATOM 0 H5'' G B 9 3.318 -10.370 14.237 1.00 0.00 H new ATOM 0 H4' G B 9 1.460 -10.779 15.653 1.00 0.00 H new ATOM 0 H3' G B 9 1.387 -8.024 14.297 1.00 0.00 H new ATOM 0 H2' G B 9 -0.951 -7.923 15.220 1.00 0.00 H new ATOM 0 HO2' G B 9 -1.801 -9.746 16.260 1.00 0.00 H new ATOM 0 HO5' G B 9 4.712 -8.580 14.717 1.00 0.00 H new ATOM 0 H1' G B 9 -0.228 -8.788 17.742 1.00 0.00 H new ATOM 0 H8 G B 9 2.644 -6.636 16.576 1.00 0.00 H new ATOM 0 H1 G B 9 -2.506 -3.304 18.502 1.00 0.00 H new ATOM 0 H21 G B 9 -4.121 -6.393 18.440 1.00 0.00 H new ATOM 0 H22 G B 9 -4.237 -4.656 18.740 1.00 0.00 H new ATOM 290 P G B 10 -0.148 -8.864 12.277 1.00 0.00 P ATOM 291 OP1 G B 10 -0.338 -9.837 11.179 1.00 0.00 O ATOM 292 OP2 G B 10 0.594 -7.609 12.023 1.00 0.00 O ATOM 293 O5' G B 10 -1.603 -8.476 12.861 1.00 0.00 O ATOM 294 C5' G B 10 -2.607 -9.457 13.019 1.00 0.00 C ATOM 295 C4' G B 10 -3.904 -8.810 13.519 1.00 0.00 C ATOM 296 O4' G B 10 -3.754 -8.185 14.796 1.00 0.00 O ATOM 297 C3' G B 10 -4.405 -7.721 12.597 1.00 0.00 C ATOM 298 O3' G B 10 -5.028 -8.226 11.432 1.00 0.00 O ATOM 299 C2' G B 10 -5.388 -7.052 13.515 1.00 0.00 C ATOM 300 O2' G B 10 -6.525 -7.872 13.689 1.00 0.00 O ATOM 301 C1' G B 10 -4.606 -7.022 14.812 1.00 0.00 C ATOM 302 N9 G B 10 -3.766 -5.816 14.897 1.00 0.00 N ATOM 303 C8 G B 10 -2.425 -5.704 14.673 1.00 0.00 C ATOM 304 N7 G B 10 -1.946 -4.510 14.890 1.00 0.00 N ATOM 305 C5 G B 10 -3.057 -3.773 15.292 1.00 0.00 C ATOM 306 C6 G B 10 -3.158 -2.405 15.684 1.00 0.00 C ATOM 307 O6 G B 10 -2.266 -1.561 15.747 1.00 0.00 O ATOM 308 N1 G B 10 -4.462 -2.064 16.025 1.00 0.00 N ATOM 309 C2 G B 10 -5.536 -2.929 16.006 1.00 0.00 C ATOM 310 N2 G B 10 -6.721 -2.424 16.368 1.00 0.00 N ATOM 311 N3 G B 10 -5.444 -4.216 15.648 1.00 0.00 N ATOM 312 C4 G B 10 -4.179 -4.568 15.303 1.00 0.00 C ATOM 0 H5' G B 10 -2.275 -10.217 13.726 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.786 -9.961 12.069 1.00 0.00 H new ATOM 0 H4' G B 10 -4.606 -9.643 13.567 1.00 0.00 H new ATOM 0 H3' G B 10 -3.625 -7.076 12.192 1.00 0.00 H new ATOM 0 H2' G B 10 -5.740 -6.083 13.160 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.159 -7.428 14.290 1.00 0.00 H new ATOM 0 H1' G B 10 -5.285 -7.014 15.664 1.00 0.00 H new ATOM 0 H8 G B 10 -1.813 -6.531 14.345 1.00 0.00 H new ATOM 0 H1 G B 10 -4.638 -1.101 16.311 1.00 0.00 H new ATOM 0 H21 G B 10 -7.549 -3.019 16.372 1.00 0.00 H new ATOM 0 H22 G B 10 -6.796 -1.444 16.640 1.00 0.00 H new ATOM 324 P A B 11 -5.336 -7.256 10.177 1.00 0.00 P ATOM 325 OP1 A B 11 -6.079 -8.037 9.164 1.00 0.00 O ATOM 326 OP2 A B 11 -4.073 -6.583 9.803 1.00 0.00 O ATOM 327 O5' A B 11 -6.333 -6.141 10.781 1.00 0.00 O ATOM 328 C5' A B 11 -7.684 -6.443 11.055 1.00 0.00 C ATOM 329 C4' A B 11 -8.396 -5.194 11.584 1.00 0.00 C ATOM 330 O4' A B 11 -7.830 -4.719 12.800 1.00 0.00 O ATOM 331 C3' A B 11 -8.331 -4.038 10.609 1.00 0.00 C ATOM 332 O3' A B 11 -9.283 -4.170 9.572 1.00 0.00 O ATOM 333 C2' A B 11 -8.660 -2.883 11.525 1.00 0.00 C ATOM 334 O2' A B 11 -10.045 -2.876 11.803 1.00 0.00 O ATOM 335 C1' A B 11 -7.931 -3.286 12.810 1.00 0.00 C ATOM 336 N9 A B 11 -6.574 -2.734 12.820 1.00 0.00 N ATOM 337 C8 A B 11 -5.401 -3.379 12.563 1.00 0.00 C ATOM 338 N7 A B 11 -4.343 -2.626 12.677 1.00 0.00 N ATOM 339 C5 A B 11 -4.861 -1.390 13.051 1.00 0.00 C ATOM 340 C6 A B 11 -4.259 -0.156 13.351 1.00 0.00 C ATOM 341 N6 A B 11 -2.938 0.046 13.299 1.00 0.00 N ATOM 342 N1 A B 11 -5.065 0.860 13.714 1.00 0.00 N ATOM 343 C2 A B 11 -6.378 0.656 13.770 1.00 0.00 C ATOM 344 N3 A B 11 -7.062 -0.450 13.510 1.00 0.00 N ATOM 345 C4 A B 11 -6.223 -1.450 13.150 1.00 0.00 C ATOM 0 H5' A B 11 -7.745 -7.246 11.789 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.178 -6.799 10.151 1.00 0.00 H new ATOM 0 H4' A B 11 -9.426 -5.515 11.737 1.00 0.00 H new ATOM 0 H3' A B 11 -7.381 -3.944 10.083 1.00 0.00 H new ATOM 0 H2' A B 11 -8.387 -1.910 11.116 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.503 -3.495 11.197 1.00 0.00 H new ATOM 0 H1' A B 11 -8.471 -2.915 13.681 1.00 0.00 H new ATOM 0 H8 A B 11 -5.352 -4.423 12.289 1.00 0.00 H new ATOM 0 H61 A B 11 -2.553 0.963 13.527 1.00 0.00 H new ATOM 0 H62 A B 11 -2.316 -0.717 13.031 1.00 0.00 H new ATOM 0 H2 A B 11 -6.969 1.509 14.069 1.00 0.00 H new ATOM 357 P G B 12 -9.158 -3.302 8.221 1.00 0.00 P ATOM 358 OP1 G B 12 -10.376 -3.531 7.412 1.00 0.00 O ATOM 359 OP2 G B 12 -7.827 -3.568 7.633 1.00 0.00 O ATOM 360 O5' G B 12 -9.176 -1.779 8.737 1.00 0.00 O ATOM 361 C5' G B 12 -10.369 -1.168 9.186 1.00 0.00 C ATOM 362 C4' G B 12 -10.081 0.273 9.543 1.00 0.00 C ATOM 363 O4' G B 12 -9.189 0.356 10.639 1.00 0.00 O ATOM 364 C3' G B 12 -9.391 0.996 8.434 1.00 0.00 C ATOM 365 O3' G B 12 -10.273 1.318 7.373 1.00 0.00 O ATOM 366 C2' G B 12 -8.963 2.212 9.205 1.00 0.00 C ATOM 367 O2' G B 12 -10.085 3.030 9.468 1.00 0.00 O ATOM 368 C1' G B 12 -8.503 1.596 10.516 1.00 0.00 C ATOM 369 N9 G B 12 -7.044 1.381 10.520 1.00 0.00 N ATOM 370 C8 G B 12 -6.340 0.217 10.353 1.00 0.00 C ATOM 371 N7 G B 12 -5.046 0.360 10.461 1.00 0.00 N ATOM 372 C5 G B 12 -4.880 1.721 10.715 1.00 0.00 C ATOM 373 C6 G B 12 -3.689 2.484 10.929 1.00 0.00 C ATOM 374 O6 G B 12 -2.518 2.102 10.951 1.00 0.00 O ATOM 375 N1 G B 12 -3.977 3.826 11.125 1.00 0.00 N ATOM 376 C2 G B 12 -5.237 4.376 11.141 1.00 0.00 C ATOM 377 N2 G B 12 -5.311 5.693 11.357 1.00 0.00 N ATOM 378 N3 G B 12 -6.354 3.668 10.957 1.00 0.00 N ATOM 379 C4 G B 12 -6.101 2.352 10.746 1.00 0.00 C ATOM 0 H5' G B 12 -10.761 -1.700 10.053 1.00 0.00 H new ATOM 0 H5'' G B 12 -11.133 -1.218 8.410 1.00 0.00 H new ATOM 0 H4' G B 12 -11.053 0.715 9.764 1.00 0.00 H new ATOM 0 H3' G B 12 -8.596 0.447 7.930 1.00 0.00 H new ATOM 0 H2' G B 12 -8.219 2.822 8.692 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.823 2.773 8.877 1.00 0.00 H new ATOM 0 H1' G B 12 -8.724 2.258 11.353 1.00 0.00 H new ATOM 0 H8 G B 12 -6.812 -0.733 10.150 1.00 0.00 H new ATOM 0 H1 G B 12 -3.189 4.457 11.269 1.00 0.00 H new ATOM 0 H21 G B 12 -6.220 6.156 11.380 1.00 0.00 H new ATOM 0 H22 G B 12 -4.459 6.235 11.499 1.00 0.00 H new ATOM 391 P U B 13 -9.710 1.769 5.932 1.00 0.00 P ATOM 392 OP1 U B 13 -10.850 2.247 5.119 1.00 0.00 O ATOM 393 OP2 U B 13 -8.848 0.681 5.420 1.00 0.00 O ATOM 394 O5' U B 13 -8.769 3.028 6.268 1.00 0.00 O ATOM 395 C5' U B 13 -9.310 4.285 6.615 1.00 0.00 C ATOM 396 C4' U B 13 -8.158 5.250 6.906 1.00 0.00 C ATOM 397 O4' U B 13 -7.348 4.795 7.986 1.00 0.00 O ATOM 398 C3' U B 13 -7.233 5.367 5.708 1.00 0.00 C ATOM 399 O3' U B 13 -7.698 6.309 4.751 1.00 0.00 O ATOM 400 C2' U B 13 -5.955 5.803 6.345 1.00 0.00 C ATOM 401 O2' U B 13 -5.971 7.201 6.548 1.00 0.00 O ATOM 402 C1' U B 13 -5.980 5.107 7.690 1.00 0.00 C ATOM 403 N1 U B 13 -5.164 3.871 7.683 1.00 0.00 N ATOM 404 C2 U B 13 -3.809 3.998 7.946 1.00 0.00 C ATOM 405 O2 U B 13 -3.285 5.091 8.146 1.00 0.00 O ATOM 406 N3 U B 13 -3.074 2.822 7.974 1.00 0.00 N ATOM 407 C4 U B 13 -3.588 1.543 7.803 1.00 0.00 C ATOM 408 O4 U B 13 -2.850 0.562 7.838 1.00 0.00 O ATOM 409 C5 U B 13 -5.023 1.509 7.597 1.00 0.00 C ATOM 410 C6 U B 13 -5.743 2.642 7.542 1.00 0.00 C ATOM 0 H5' U B 13 -9.954 4.191 7.489 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.928 4.668 5.803 1.00 0.00 H new ATOM 0 H4' U B 13 -8.624 6.205 7.148 1.00 0.00 H new ATOM 0 H3' U B 13 -7.148 4.443 5.137 1.00 0.00 H new ATOM 0 H2' U B 13 -5.077 5.567 5.744 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.778 7.581 6.143 1.00 0.00 H new ATOM 0 H1' U B 13 -5.553 5.762 8.449 1.00 0.00 H new ATOM 0 H3 U B 13 -2.070 2.903 8.134 1.00 0.00 H new ATOM 0 H5 U B 13 -5.521 0.557 7.486 1.00 0.00 H new ATOM 0 H6 U B 13 -6.809 2.579 7.382 1.00 0.00 H new ATOM 421 P U B 14 -6.974 6.465 3.309 1.00 0.00 P ATOM 422 OP1 U B 14 -7.836 7.313 2.456 1.00 0.00 O ATOM 423 OP2 U B 14 -6.596 5.111 2.847 1.00 0.00 O ATOM 424 O5' U B 14 -5.608 7.288 3.610 1.00 0.00 O ATOM 425 C5' U B 14 -5.612 8.703 3.741 1.00 0.00 C ATOM 426 C4' U B 14 -4.165 9.223 3.865 1.00 0.00 C ATOM 427 O4' U B 14 -3.546 8.781 5.068 1.00 0.00 O ATOM 428 C3' U B 14 -3.272 8.728 2.739 1.00 0.00 C ATOM 429 O3' U B 14 -3.420 9.472 1.545 1.00 0.00 O ATOM 430 C2' U B 14 -1.921 8.958 3.354 1.00 0.00 C ATOM 431 O2' U B 14 -1.599 10.333 3.316 1.00 0.00 O ATOM 432 C1' U B 14 -2.154 8.559 4.793 1.00 0.00 C ATOM 433 N1 U B 14 -1.831 7.133 4.999 1.00 0.00 N ATOM 434 C2 U B 14 -0.512 6.782 5.240 1.00 0.00 C ATOM 435 O2 U B 14 0.403 7.601 5.209 1.00 0.00 O ATOM 436 N3 U B 14 -0.282 5.445 5.525 1.00 0.00 N ATOM 437 C4 U B 14 -1.246 4.451 5.601 1.00 0.00 C ATOM 438 O4 U B 14 -0.935 3.294 5.867 1.00 0.00 O ATOM 439 C5 U B 14 -2.588 4.916 5.344 1.00 0.00 C ATOM 440 C6 U B 14 -2.825 6.211 5.053 1.00 0.00 C ATOM 0 H5' U B 14 -6.189 8.994 4.619 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.097 9.156 2.876 1.00 0.00 H new ATOM 0 H4' U B 14 -4.259 10.309 3.838 1.00 0.00 H new ATOM 0 H3' U B 14 -3.483 7.705 2.427 1.00 0.00 H new ATOM 0 H2' U B 14 -1.118 8.417 2.853 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.218 10.797 2.715 1.00 0.00 H new ATOM 0 H1' U B 14 -1.517 9.144 5.457 1.00 0.00 H new ATOM 0 H3 U B 14 0.685 5.167 5.694 1.00 0.00 H new ATOM 0 H5 U B 14 -3.412 4.219 5.385 1.00 0.00 H new ATOM 0 H6 U B 14 -3.840 6.525 4.856 1.00 0.00 H new ATOM 451 P C B 15 -2.790 8.931 0.156 1.00 0.00 P ATOM 452 OP1 C B 15 -2.998 9.970 -0.877 1.00 0.00 O ATOM 453 OP2 C B 15 -3.304 7.563 -0.069 1.00 0.00 O ATOM 454 O5' C B 15 -1.200 8.822 0.446 1.00 0.00 O ATOM 455 C5' C B 15 -0.368 9.966 0.428 1.00 0.00 C ATOM 456 C4' C B 15 1.096 9.546 0.635 1.00 0.00 C ATOM 457 O4' C B 15 1.309 8.917 1.905 1.00 0.00 O ATOM 458 C3' C B 15 1.541 8.526 -0.393 1.00 0.00 C ATOM 459 O3' C B 15 1.849 9.116 -1.643 1.00 0.00 O ATOM 460 C2' C B 15 2.771 7.983 0.289 1.00 0.00 C ATOM 461 O2' C B 15 3.833 8.907 0.169 1.00 0.00 O ATOM 462 C1' C B 15 2.349 7.929 1.745 1.00 0.00 C ATOM 463 N1 C B 15 1.845 6.578 2.106 1.00 0.00 N ATOM 464 C2 C B 15 2.783 5.609 2.452 1.00 0.00 C ATOM 465 O2 C B 15 3.985 5.862 2.404 1.00 0.00 O ATOM 466 N3 C B 15 2.332 4.383 2.843 1.00 0.00 N ATOM 467 C4 C B 15 1.019 4.118 2.895 1.00 0.00 C ATOM 468 N4 C B 15 0.621 2.905 3.292 1.00 0.00 N ATOM 469 C5 C B 15 0.044 5.109 2.545 1.00 0.00 C ATOM 470 C6 C B 15 0.507 6.315 2.162 1.00 0.00 C ATOM 0 H5' C B 15 -0.671 10.660 1.212 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.475 10.490 -0.522 1.00 0.00 H new ATOM 0 H4' C B 15 1.661 10.475 0.554 1.00 0.00 H new ATOM 0 H3' C B 15 0.786 7.781 -0.646 1.00 0.00 H new ATOM 0 H2' C B 15 3.104 7.030 -0.122 1.00 0.00 H new ATOM 0 HO2' C B 15 3.575 9.623 -0.448 1.00 0.00 H new ATOM 0 H1' C B 15 3.195 8.133 2.401 1.00 0.00 H new ATOM 0 H41 C B 15 -0.374 2.684 3.338 1.00 0.00 H new ATOM 0 H42 C B 15 1.312 2.200 3.549 1.00 0.00 H new ATOM 0 H5 C B 15 -1.014 4.898 2.586 1.00 0.00 H new ATOM 0 H6 C B 15 -0.196 7.090 1.894 1.00 0.00 H new ATOM 482 P C B 16 2.072 8.201 -2.955 1.00 0.00 P ATOM 483 OP1 C B 16 2.461 9.086 -4.076 1.00 0.00 O ATOM 484 OP2 C B 16 0.898 7.313 -3.095 1.00 0.00 O ATOM 485 O5' C B 16 3.343 7.288 -2.575 1.00 0.00 O ATOM 486 C5' C B 16 4.656 7.808 -2.612 1.00 0.00 C ATOM 487 C4' C B 16 5.635 6.718 -2.169 1.00 0.00 C ATOM 488 O4' C B 16 5.360 6.274 -0.843 1.00 0.00 O ATOM 489 C3' C B 16 5.517 5.477 -3.024 1.00 0.00 C ATOM 490 O3' C B 16 6.176 5.615 -4.265 1.00 0.00 O ATOM 491 C2' C B 16 6.190 4.456 -2.142 1.00 0.00 C ATOM 492 O2' C B 16 7.593 4.535 -2.293 1.00 0.00 O ATOM 493 C1' C B 16 5.803 4.910 -0.734 1.00 0.00 C ATOM 494 N1 C B 16 4.706 4.039 -0.245 1.00 0.00 N ATOM 495 C2 C B 16 5.053 2.825 0.339 1.00 0.00 C ATOM 496 O2 C B 16 6.234 2.531 0.505 1.00 0.00 O ATOM 497 N3 C B 16 4.051 1.979 0.711 1.00 0.00 N ATOM 498 C4 C B 16 2.765 2.305 0.513 1.00 0.00 C ATOM 499 N4 C B 16 1.814 1.448 0.894 1.00 0.00 N ATOM 500 C5 C B 16 2.398 3.544 -0.103 1.00 0.00 C ATOM 501 C6 C B 16 3.403 4.370 -0.461 1.00 0.00 C ATOM 0 H5' C B 16 4.736 8.675 -1.957 1.00 0.00 H new ATOM 0 H5'' C B 16 4.899 8.146 -3.619 1.00 0.00 H new ATOM 0 H4' C B 16 6.622 7.174 -2.251 1.00 0.00 H new ATOM 0 H3' C B 16 4.494 5.228 -3.304 1.00 0.00 H new ATOM 0 H2' C B 16 5.898 3.431 -2.370 1.00 0.00 H new ATOM 0 HO2' C B 16 7.807 4.934 -3.162 1.00 0.00 H new ATOM 0 HO3' C B 16 6.075 4.789 -4.783 1.00 0.00 H new ATOM 0 H1' C B 16 6.636 4.842 -0.034 1.00 0.00 H new ATOM 0 H41 C B 16 0.831 1.680 0.751 1.00 0.00 H new ATOM 0 H42 C B 16 2.071 0.561 1.328 1.00 0.00 H new ATOM 0 H5 C B 16 1.364 3.806 -0.273 1.00 0.00 H new ATOM 0 H6 C B 16 3.169 5.315 -0.929 1.00 0.00 H new TER 514 C B 16