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 -17:sc= 0.088 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00186 USER MOD Single : A 2 G O2' : rot 180:sc= -0.367 USER MOD Single : A 3 A O2' : rot -33:sc= 0.141 USER MOD Single : A 4 U O2' : rot -126:sc= 0.15 USER MOD Single : A 5 G O2' : rot -8:sc= 0.0811 USER MOD Single : A 6 U O2' : rot -23:sc=-0.00776 USER MOD Single : A 7 C O2' : rot -11:sc= -0.188 USER MOD Single : A 8 C O2' : rot -36:sc= 0.113 USER MOD Single : A 8 C O3' : rot 180:sc= 0.126 USER MOD Single : B 9 G O2' : rot 180:sc= -0.186 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00632 USER MOD Single : B 10 G O2' : rot 180:sc= -0.361 USER MOD Single : B 11 A O2' : rot -25:sc= 0.155 USER MOD Single : B 12 U O2' : rot -170:sc= -0.246 USER MOD Single : B 13 G O2' : rot -17:sc= 0.174 USER MOD Single : B 14 U O2' : rot -15:sc= -0.442 USER MOD Single : B 15 C O2' : rot -19:sc= 0.113 USER MOD Single : B 16 C O2' : rot -27:sc= 0.143 USER MOD Single : B 16 C O3' : rot 180:sc= 0.176 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.015 -7.965 6.015 1.00 0.00 O ATOM 2 C5' G A 1 6.340 -8.449 6.073 1.00 0.00 C ATOM 3 C4' G A 1 7.304 -7.400 5.512 1.00 0.00 C ATOM 4 O4' G A 1 7.027 -7.120 4.140 1.00 0.00 O ATOM 5 C3' G A 1 7.192 -6.066 6.221 1.00 0.00 C ATOM 6 O3' G A 1 7.832 -6.063 7.486 1.00 0.00 O ATOM 7 C2' G A 1 7.899 -5.190 5.216 1.00 0.00 C ATOM 8 O2' G A 1 9.288 -5.434 5.270 1.00 0.00 O ATOM 9 C1' G A 1 7.357 -5.742 3.898 1.00 0.00 C ATOM 10 N9 G A 1 6.137 -4.999 3.517 1.00 0.00 N ATOM 11 C8 G A 1 4.826 -5.401 3.580 1.00 0.00 C ATOM 12 N7 G A 1 3.975 -4.501 3.173 1.00 0.00 N ATOM 13 C5 G A 1 4.776 -3.421 2.813 1.00 0.00 C ATOM 14 C6 G A 1 4.410 -2.143 2.298 1.00 0.00 C ATOM 15 O6 G A 1 3.285 -1.712 2.057 1.00 0.00 O ATOM 16 N1 G A 1 5.526 -1.346 2.065 1.00 0.00 N ATOM 17 C2 G A 1 6.831 -1.724 2.300 1.00 0.00 C ATOM 18 N2 G A 1 7.778 -0.822 2.024 1.00 0.00 N ATOM 19 N3 G A 1 7.178 -2.922 2.785 1.00 0.00 N ATOM 20 C4 G A 1 6.102 -3.718 3.018 1.00 0.00 C ATOM 0 H5' G A 1 6.424 -9.374 5.503 1.00 0.00 H new ATOM 0 H5'' G A 1 6.605 -8.685 7.104 1.00 0.00 H new ATOM 0 H4' G A 1 8.295 -7.832 5.652 1.00 0.00 H new ATOM 0 H3' G A 1 6.175 -5.761 6.468 1.00 0.00 H new ATOM 0 H2' G A 1 7.745 -4.122 5.368 1.00 0.00 H new ATOM 0 HO2' G A 1 9.506 -5.897 6.105 1.00 0.00 H new ATOM 0 HO5' G A 1 4.404 -8.642 6.374 1.00 0.00 H new ATOM 0 H1' G A 1 8.086 -5.643 3.093 1.00 0.00 H new ATOM 0 H8 G A 1 4.526 -6.376 3.935 1.00 0.00 H new ATOM 0 H1 G A 1 5.367 -0.410 1.692 1.00 0.00 H new ATOM 0 H21 G A 1 8.760 -1.050 2.179 1.00 0.00 H new ATOM 0 H22 G A 1 7.519 0.094 1.658 1.00 0.00 H new ATOM 33 P G A 2 7.519 -4.902 8.571 1.00 0.00 P ATOM 34 OP1 G A 2 8.285 -5.206 9.800 1.00 0.00 O ATOM 35 OP2 G A 2 6.050 -4.738 8.647 1.00 0.00 O ATOM 36 O5' G A 2 8.138 -3.566 7.914 1.00 0.00 O ATOM 37 C5' G A 2 9.527 -3.314 7.951 1.00 0.00 C ATOM 38 C4' G A 2 9.830 -1.994 7.239 1.00 0.00 C ATOM 39 O4' G A 2 9.325 -1.997 5.900 1.00 0.00 O ATOM 40 C3' G A 2 9.179 -0.799 7.909 1.00 0.00 C ATOM 41 O3' G A 2 9.875 -0.372 9.065 1.00 0.00 O ATOM 42 C2' G A 2 9.271 0.204 6.782 1.00 0.00 C ATOM 43 O2' G A 2 10.603 0.651 6.629 1.00 0.00 O ATOM 44 C1' G A 2 8.898 -0.661 5.583 1.00 0.00 C ATOM 45 N9 G A 2 7.428 -0.625 5.403 1.00 0.00 N ATOM 46 C8 G A 2 6.494 -1.578 5.723 1.00 0.00 C ATOM 47 N7 G A 2 5.267 -1.229 5.455 1.00 0.00 N ATOM 48 C5 G A 2 5.390 0.050 4.924 1.00 0.00 C ATOM 49 C6 G A 2 4.385 0.946 4.455 1.00 0.00 C ATOM 50 O6 G A 2 3.171 0.770 4.409 1.00 0.00 O ATOM 51 N1 G A 2 4.933 2.145 4.014 1.00 0.00 N ATOM 52 C2 G A 2 6.278 2.447 4.014 1.00 0.00 C ATOM 53 N2 G A 2 6.623 3.653 3.551 1.00 0.00 N ATOM 54 N3 G A 2 7.225 1.607 4.448 1.00 0.00 N ATOM 55 C4 G A 2 6.710 0.431 4.890 1.00 0.00 C ATOM 0 H5' G A 2 10.067 -4.130 7.471 1.00 0.00 H new ATOM 0 H5'' G A 2 9.871 -3.268 8.984 1.00 0.00 H new ATOM 0 H4' G A 2 10.916 -1.909 7.271 1.00 0.00 H new ATOM 0 H3' G A 2 8.173 -0.981 8.288 1.00 0.00 H new ATOM 0 H2' G A 2 8.654 1.091 6.926 1.00 0.00 H new ATOM 0 HO2' G A 2 10.648 1.299 5.895 1.00 0.00 H new ATOM 0 H1' G A 2 9.366 -0.310 4.663 1.00 0.00 H new ATOM 0 H8 G A 2 6.752 -2.532 6.158 1.00 0.00 H new ATOM 0 H1 G A 2 4.291 2.856 3.664 1.00 0.00 H new ATOM 0 H21 G A 2 7.605 3.929 3.528 1.00 0.00 H new ATOM 0 H22 G A 2 5.904 4.297 3.221 1.00 0.00 H new ATOM 67 P A A 3 9.169 0.606 10.150 1.00 0.00 P ATOM 68 OP1 A A 3 10.155 0.892 11.215 1.00 0.00 O ATOM 69 OP2 A A 3 7.859 0.018 10.505 1.00 0.00 O ATOM 70 O5' A A 3 8.897 1.973 9.338 1.00 0.00 O ATOM 71 C5' A A 3 9.963 2.820 8.968 1.00 0.00 C ATOM 72 C4' A A 3 9.424 4.022 8.187 1.00 0.00 C ATOM 73 O4' A A 3 8.679 3.603 7.042 1.00 0.00 O ATOM 74 C3' A A 3 8.468 4.888 8.983 1.00 0.00 C ATOM 75 O3' A A 3 9.141 5.766 9.864 1.00 0.00 O ATOM 76 C2' A A 3 7.775 5.639 7.881 1.00 0.00 C ATOM 77 O2' A A 3 8.622 6.657 7.389 1.00 0.00 O ATOM 78 C1' A A 3 7.624 4.556 6.819 1.00 0.00 C ATOM 79 N9 A A 3 6.305 3.894 6.959 1.00 0.00 N ATOM 80 C8 A A 3 6.013 2.620 7.379 1.00 0.00 C ATOM 81 N7 A A 3 4.743 2.324 7.335 1.00 0.00 N ATOM 82 C5 A A 3 4.147 3.490 6.868 1.00 0.00 C ATOM 83 C6 A A 3 2.809 3.835 6.606 1.00 0.00 C ATOM 84 N6 A A 3 1.787 2.988 6.773 1.00 0.00 N ATOM 85 N1 A A 3 2.560 5.087 6.179 1.00 0.00 N ATOM 86 C2 A A 3 3.578 5.928 6.014 1.00 0.00 C ATOM 87 N3 A A 3 4.873 5.720 6.211 1.00 0.00 N ATOM 88 C4 A A 3 5.090 4.457 6.648 1.00 0.00 C ATOM 0 H5' A A 3 10.681 2.271 8.359 1.00 0.00 H new ATOM 0 H5'' A A 3 10.494 3.161 9.857 1.00 0.00 H new ATOM 0 H4' A A 3 10.318 4.588 7.926 1.00 0.00 H new ATOM 0 H3' A A 3 7.804 4.323 9.637 1.00 0.00 H new ATOM 0 H2' A A 3 6.842 6.114 8.184 1.00 0.00 H new ATOM 0 HO2' A A 3 9.175 7.004 8.120 1.00 0.00 H new ATOM 0 H1' A A 3 7.685 4.978 5.816 1.00 0.00 H new ATOM 0 H8 A A 3 6.767 1.925 7.716 1.00 0.00 H new ATOM 0 H61 A A 3 0.835 3.291 6.568 1.00 0.00 H new ATOM 0 H62 A A 3 1.960 2.039 7.106 1.00 0.00 H new ATOM 0 H2 A A 3 3.313 6.918 5.672 1.00 0.00 H new ATOM 100 P U A 4 8.778 5.796 11.427 1.00 0.00 P ATOM 101 OP1 U A 4 9.754 6.665 12.122 1.00 0.00 O ATOM 102 OP2 U A 4 8.557 4.408 11.888 1.00 0.00 O ATOM 103 O5' U A 4 7.361 6.556 11.381 1.00 0.00 O ATOM 104 C5' U A 4 7.298 7.927 11.040 1.00 0.00 C ATOM 105 C4' U A 4 5.848 8.332 10.775 1.00 0.00 C ATOM 106 O4' U A 4 5.319 7.617 9.661 1.00 0.00 O ATOM 107 C3' U A 4 4.923 8.015 11.932 1.00 0.00 C ATOM 108 O3' U A 4 5.033 8.964 12.980 1.00 0.00 O ATOM 109 C2' U A 4 3.591 8.088 11.224 1.00 0.00 C ATOM 110 O2' U A 4 3.245 9.437 11.010 1.00 0.00 O ATOM 111 C1' U A 4 3.910 7.459 9.867 1.00 0.00 C ATOM 112 N1 U A 4 3.544 6.022 9.868 1.00 0.00 N ATOM 113 C2 U A 4 2.211 5.716 9.658 1.00 0.00 C ATOM 114 O2 U A 4 1.366 6.591 9.482 1.00 0.00 O ATOM 115 N3 U A 4 1.878 4.371 9.655 1.00 0.00 N ATOM 116 C4 U A 4 2.759 3.318 9.852 1.00 0.00 C ATOM 117 O4 U A 4 2.357 2.158 9.842 1.00 0.00 O ATOM 118 C5 U A 4 4.135 3.727 10.051 1.00 0.00 C ATOM 119 C6 U A 4 4.481 5.036 10.050 1.00 0.00 C ATOM 0 H5' U A 4 7.906 8.119 10.156 1.00 0.00 H new ATOM 0 H5'' U A 4 7.711 8.531 11.848 1.00 0.00 H new ATOM 0 H4' U A 4 5.885 9.408 10.603 1.00 0.00 H new ATOM 0 H3' U A 4 5.121 7.069 12.436 1.00 0.00 H new ATOM 0 H2' U A 4 2.779 7.610 11.772 1.00 0.00 H new ATOM 0 HO2' U A 4 2.357 9.610 11.386 1.00 0.00 H new ATOM 0 H1' U A 4 3.344 7.939 9.069 1.00 0.00 H new ATOM 0 H3 U A 4 0.899 4.134 9.494 1.00 0.00 H new ATOM 0 H5 U A 4 4.896 2.976 10.202 1.00 0.00 H new ATOM 0 H6 U A 4 5.516 5.310 10.195 1.00 0.00 H new ATOM 130 P G A 5 4.310 8.715 14.404 1.00 0.00 P ATOM 131 OP1 G A 5 4.731 9.790 15.328 1.00 0.00 O ATOM 132 OP2 G A 5 4.522 7.300 14.779 1.00 0.00 O ATOM 133 O5' G A 5 2.745 8.918 14.082 1.00 0.00 O ATOM 134 C5' G A 5 2.173 10.211 14.014 1.00 0.00 C ATOM 135 C4' G A 5 0.685 10.079 13.687 1.00 0.00 C ATOM 136 O4' G A 5 0.483 9.345 12.484 1.00 0.00 O ATOM 137 C3' G A 5 -0.052 9.288 14.745 1.00 0.00 C ATOM 138 O3' G A 5 -0.331 10.063 15.902 1.00 0.00 O ATOM 139 C2' G A 5 -1.305 8.922 13.992 1.00 0.00 C ATOM 140 O2' G A 5 -2.227 9.991 14.041 1.00 0.00 O ATOM 141 C1' G A 5 -0.820 8.754 12.558 1.00 0.00 C ATOM 142 N9 G A 5 -0.776 7.317 12.231 1.00 0.00 N ATOM 143 C8 G A 5 0.283 6.456 12.278 1.00 0.00 C ATOM 144 N7 G A 5 -0.018 5.224 11.966 1.00 0.00 N ATOM 145 C5 G A 5 -1.383 5.272 11.698 1.00 0.00 C ATOM 146 C6 G A 5 -2.286 4.234 11.313 1.00 0.00 C ATOM 147 O6 G A 5 -2.051 3.043 11.112 1.00 0.00 O ATOM 148 N1 G A 5 -3.578 4.714 11.167 1.00 0.00 N ATOM 149 C2 G A 5 -3.969 6.019 11.355 1.00 0.00 C ATOM 150 N2 G A 5 -5.264 6.289 11.162 1.00 0.00 N ATOM 151 N3 G A 5 -3.130 6.996 11.711 1.00 0.00 N ATOM 152 C4 G A 5 -1.856 6.552 11.865 1.00 0.00 C ATOM 0 H5' G A 5 2.675 10.805 13.251 1.00 0.00 H new ATOM 0 H5'' G A 5 2.306 10.732 14.962 1.00 0.00 H new ATOM 0 H4' G A 5 0.316 11.102 13.614 1.00 0.00 H new ATOM 0 H3' G A 5 0.504 8.438 15.141 1.00 0.00 H new ATOM 0 H2' G A 5 -1.799 8.038 14.396 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.900 10.677 14.659 1.00 0.00 H new ATOM 0 H1' G A 5 -1.485 9.238 11.843 1.00 0.00 H new ATOM 0 H8 G A 5 1.281 6.766 12.549 1.00 0.00 H new ATOM 0 H1 G A 5 -4.298 4.044 10.898 1.00 0.00 H new ATOM 0 H21 G A 5 -5.611 7.240 11.287 1.00 0.00 H new ATOM 0 H22 G A 5 -5.905 5.544 10.890 1.00 0.00 H new ATOM 164 P U A 6 -0.839 9.364 17.271 1.00 0.00 P ATOM 165 OP1 U A 6 -0.959 10.417 18.304 1.00 0.00 O ATOM 166 OP2 U A 6 0.024 8.189 17.523 1.00 0.00 O ATOM 167 O5' U A 6 -2.325 8.825 16.934 1.00 0.00 O ATOM 168 C5' U A 6 -3.446 9.689 16.959 1.00 0.00 C ATOM 169 C4' U A 6 -4.731 8.885 16.692 1.00 0.00 C ATOM 170 O4' U A 6 -4.734 8.300 15.382 1.00 0.00 O ATOM 171 C3' U A 6 -4.900 7.714 17.646 1.00 0.00 C ATOM 172 O3' U A 6 -5.389 8.083 18.921 1.00 0.00 O ATOM 173 C2' U A 6 -5.925 6.919 16.888 1.00 0.00 C ATOM 174 O2' U A 6 -7.176 7.569 16.971 1.00 0.00 O ATOM 175 C1' U A 6 -5.425 7.035 15.462 1.00 0.00 C ATOM 176 N1 U A 6 -4.494 5.926 15.134 1.00 0.00 N ATOM 177 C2 U A 6 -5.030 4.779 14.565 1.00 0.00 C ATOM 178 O2 U A 6 -6.238 4.636 14.388 1.00 0.00 O ATOM 179 N3 U A 6 -4.125 3.796 14.204 1.00 0.00 N ATOM 180 C4 U A 6 -2.750 3.859 14.358 1.00 0.00 C ATOM 181 O4 U A 6 -2.040 2.916 14.019 1.00 0.00 O ATOM 182 C5 U A 6 -2.278 5.096 14.937 1.00 0.00 C ATOM 183 C6 U A 6 -3.146 6.064 15.306 1.00 0.00 C ATOM 0 H5' U A 6 -3.332 10.470 16.207 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.512 10.186 17.927 1.00 0.00 H new ATOM 0 H4' U A 6 -5.532 9.613 16.816 1.00 0.00 H new ATOM 0 H3' U A 6 -3.967 7.203 17.881 1.00 0.00 H new ATOM 0 H2' U A 6 -6.046 5.898 17.250 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.192 8.148 17.762 1.00 0.00 H new ATOM 0 H1' U A 6 -6.252 6.979 14.754 1.00 0.00 H new ATOM 0 H3 U A 6 -4.506 2.947 13.786 1.00 0.00 H new ATOM 0 H5 U A 6 -1.218 5.249 15.077 1.00 0.00 H new ATOM 0 H6 U A 6 -2.763 6.972 15.749 1.00 0.00 H new ATOM 194 P C A 7 -5.330 7.038 20.158 1.00 0.00 P ATOM 195 OP1 C A 7 -6.016 7.657 21.314 1.00 0.00 O ATOM 196 OP2 C A 7 -3.930 6.583 20.296 1.00 0.00 O ATOM 197 O5' C A 7 -6.217 5.772 19.666 1.00 0.00 O ATOM 198 C5' C A 7 -7.631 5.802 19.718 1.00 0.00 C ATOM 199 C4' C A 7 -8.206 4.453 19.266 1.00 0.00 C ATOM 200 O4' C A 7 -7.824 4.120 17.927 1.00 0.00 O ATOM 201 C3' C A 7 -7.703 3.301 20.108 1.00 0.00 C ATOM 202 O3' C A 7 -8.340 3.237 21.371 1.00 0.00 O ATOM 203 C2' C A 7 -8.082 2.137 19.221 1.00 0.00 C ATOM 204 O2' C A 7 -9.469 1.889 19.323 1.00 0.00 O ATOM 205 C1' C A 7 -7.784 2.680 17.822 1.00 0.00 C ATOM 206 N1 C A 7 -6.445 2.210 17.371 1.00 0.00 N ATOM 207 C2 C A 7 -6.334 0.877 16.983 1.00 0.00 C ATOM 208 O2 C A 7 -7.320 0.144 16.994 1.00 0.00 O ATOM 209 N3 C A 7 -5.112 0.414 16.597 1.00 0.00 N ATOM 210 C4 C A 7 -4.041 1.220 16.596 1.00 0.00 C ATOM 211 N4 C A 7 -2.862 0.727 16.208 1.00 0.00 N ATOM 212 C5 C A 7 -4.140 2.592 16.987 1.00 0.00 C ATOM 213 C6 C A 7 -5.357 3.043 17.357 1.00 0.00 C ATOM 0 H5' C A 7 -8.009 6.600 19.078 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.960 6.024 20.733 1.00 0.00 H new ATOM 0 H4' C A 7 -9.285 4.580 19.359 1.00 0.00 H new ATOM 0 H3' C A 7 -6.645 3.356 20.365 1.00 0.00 H new ATOM 0 H2' C A 7 -7.560 1.213 19.470 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.841 2.410 20.065 1.00 0.00 H new ATOM 0 H1' C A 7 -8.510 2.330 17.088 1.00 0.00 H new ATOM 0 H41 C A 7 -2.036 1.326 16.201 1.00 0.00 H new ATOM 0 H42 C A 7 -2.787 -0.248 15.919 1.00 0.00 H new ATOM 0 H5 C A 7 -3.276 3.241 16.986 1.00 0.00 H new ATOM 0 H6 C A 7 -5.475 4.077 17.647 1.00 0.00 H new ATOM 225 P C A 8 -7.745 2.308 22.549 1.00 0.00 P ATOM 226 OP1 C A 8 -8.628 2.439 23.729 1.00 0.00 O ATOM 227 OP2 C A 8 -6.302 2.604 22.677 1.00 0.00 O ATOM 228 O5' C A 8 -7.894 0.808 21.979 1.00 0.00 O ATOM 229 C5' C A 8 -9.141 0.145 21.983 1.00 0.00 C ATOM 230 C4' C A 8 -8.952 -1.282 21.459 1.00 0.00 C ATOM 231 O4' C A 8 -8.493 -1.291 20.115 1.00 0.00 O ATOM 232 C3' C A 8 -7.882 -2.027 22.222 1.00 0.00 C ATOM 233 O3' C A 8 -8.314 -2.462 23.494 1.00 0.00 O ATOM 234 C2' C A 8 -7.609 -3.170 21.292 1.00 0.00 C ATOM 235 O2' C A 8 -8.620 -4.149 21.414 1.00 0.00 O ATOM 236 C1' C A 8 -7.719 -2.489 19.932 1.00 0.00 C ATOM 237 N1 C A 8 -6.354 -2.164 19.461 1.00 0.00 N ATOM 238 C2 C A 8 -5.638 -3.172 18.823 1.00 0.00 C ATOM 239 O2 C A 8 -6.167 -4.257 18.590 1.00 0.00 O ATOM 240 N3 C A 8 -4.346 -2.924 18.474 1.00 0.00 N ATOM 241 C4 C A 8 -3.775 -1.744 18.751 1.00 0.00 C ATOM 242 N4 C A 8 -2.504 -1.540 18.390 1.00 0.00 N ATOM 243 C5 C A 8 -4.495 -0.709 19.431 1.00 0.00 C ATOM 244 C6 C A 8 -5.775 -0.965 19.758 1.00 0.00 C ATOM 0 H5' C A 8 -9.855 0.683 21.359 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.552 0.124 22.992 1.00 0.00 H new ATOM 0 H4' C A 8 -9.932 -1.748 21.566 1.00 0.00 H new ATOM 0 H3' C A 8 -7.008 -1.420 22.458 1.00 0.00 H new ATOM 0 H2' C A 8 -6.660 -3.675 21.473 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.903 -4.212 22.350 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.584 -2.938 23.942 1.00 0.00 H new ATOM 0 H1' C A 8 -8.200 -3.129 19.192 1.00 0.00 H new ATOM 0 H41 C A 8 -2.053 -0.648 18.593 1.00 0.00 H new ATOM 0 H42 C A 8 -1.985 -2.277 17.912 1.00 0.00 H new ATOM 0 H5 C A 8 -4.031 0.236 19.671 1.00 0.00 H new ATOM 0 H6 C A 8 -6.354 -0.207 20.265 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.530 -9.302 13.679 1.00 0.00 O ATOM 259 C5' G B 9 1.967 -10.591 13.558 1.00 0.00 C ATOM 260 C4' G B 9 0.515 -10.586 14.047 1.00 0.00 C ATOM 261 O4' G B 9 0.431 -10.242 15.429 1.00 0.00 O ATOM 262 C3' G B 9 -0.348 -9.567 13.329 1.00 0.00 C ATOM 263 O3' G B 9 -0.731 -9.995 12.036 1.00 0.00 O ATOM 264 C2' G B 9 -1.516 -9.494 14.284 1.00 0.00 C ATOM 265 O2' G B 9 -2.324 -10.646 14.154 1.00 0.00 O ATOM 266 C1' G B 9 -0.804 -9.536 15.636 1.00 0.00 C ATOM 267 N9 G B 9 -0.517 -8.153 16.079 1.00 0.00 N ATOM 268 C8 G B 9 0.677 -7.478 16.081 1.00 0.00 C ATOM 269 N7 G B 9 0.593 -6.253 16.519 1.00 0.00 N ATOM 270 C5 G B 9 -0.755 -6.101 16.832 1.00 0.00 C ATOM 271 C6 G B 9 -1.452 -4.971 17.352 1.00 0.00 C ATOM 272 O6 G B 9 -1.003 -3.864 17.638 1.00 0.00 O ATOM 273 N1 G B 9 -2.805 -5.239 17.527 1.00 0.00 N ATOM 274 C2 G B 9 -3.416 -6.441 17.238 1.00 0.00 C ATOM 275 N2 G B 9 -4.731 -6.517 17.465 1.00 0.00 N ATOM 276 N3 G B 9 -2.766 -7.503 16.748 1.00 0.00 N ATOM 277 C4 G B 9 -1.442 -7.262 16.570 1.00 0.00 C ATOM 0 H5' G B 9 2.551 -11.306 14.138 1.00 0.00 H new ATOM 0 H5'' G B 9 2.007 -10.916 12.518 1.00 0.00 H new ATOM 0 H4' G B 9 0.160 -11.598 13.851 1.00 0.00 H new ATOM 0 H3' G B 9 0.141 -8.613 13.131 1.00 0.00 H new ATOM 0 H2' G B 9 -2.163 -8.630 14.129 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.077 -10.589 14.778 1.00 0.00 H new ATOM 0 HO5' G B 9 3.458 -9.320 13.365 1.00 0.00 H new ATOM 0 H1' G B 9 -1.415 -10.026 16.395 1.00 0.00 H new ATOM 0 H8 G B 9 1.604 -7.922 15.749 1.00 0.00 H new ATOM 0 H1 G B 9 -3.390 -4.490 17.897 1.00 0.00 H new ATOM 0 H21 G B 9 -5.233 -7.383 17.269 1.00 0.00 H new ATOM 0 H22 G B 9 -5.232 -5.709 17.834 1.00 0.00 H new ATOM 290 P G B 10 -1.347 -8.949 10.968 1.00 0.00 P ATOM 291 OP1 G B 10 -1.623 -9.683 9.713 1.00 0.00 O ATOM 292 OP2 G B 10 -0.469 -7.758 10.942 1.00 0.00 O ATOM 293 O5' G B 10 -2.758 -8.515 11.615 1.00 0.00 O ATOM 294 C5' G B 10 -3.861 -9.396 11.606 1.00 0.00 C ATOM 295 C4' G B 10 -5.052 -8.736 12.305 1.00 0.00 C ATOM 296 O4' G B 10 -4.726 -8.358 13.645 1.00 0.00 O ATOM 297 C3' G B 10 -5.500 -7.455 11.627 1.00 0.00 C ATOM 298 O3' G B 10 -6.272 -7.688 10.463 1.00 0.00 O ATOM 299 C2' G B 10 -6.318 -6.850 12.744 1.00 0.00 C ATOM 300 O2' G B 10 -7.543 -7.541 12.886 1.00 0.00 O ATOM 301 C1' G B 10 -5.439 -7.148 13.952 1.00 0.00 C ATOM 302 N9 G B 10 -4.485 -6.031 14.143 1.00 0.00 N ATOM 303 C8 G B 10 -3.150 -5.970 13.830 1.00 0.00 C ATOM 304 N7 G B 10 -2.591 -4.828 14.111 1.00 0.00 N ATOM 305 C5 G B 10 -3.627 -4.069 14.643 1.00 0.00 C ATOM 306 C6 G B 10 -3.623 -2.727 15.123 1.00 0.00 C ATOM 307 O6 G B 10 -2.680 -1.943 15.181 1.00 0.00 O ATOM 308 N1 G B 10 -4.883 -2.335 15.560 1.00 0.00 N ATOM 309 C2 G B 10 -6.007 -3.133 15.548 1.00 0.00 C ATOM 310 N2 G B 10 -7.137 -2.587 16.008 1.00 0.00 N ATOM 311 N3 G B 10 -6.014 -4.395 15.102 1.00 0.00 N ATOM 312 C4 G B 10 -4.793 -4.796 14.664 1.00 0.00 C ATOM 0 H5' G B 10 -3.600 -10.326 12.111 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.125 -9.653 10.580 1.00 0.00 H new ATOM 0 H4' G B 10 -5.841 -9.488 12.268 1.00 0.00 H new ATOM 0 H3' G B 10 -4.688 -6.831 11.253 1.00 0.00 H new ATOM 0 H2' G B 10 -6.562 -5.798 12.595 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.062 -7.140 13.614 1.00 0.00 H new ATOM 0 H1' G B 10 -6.024 -7.260 14.865 1.00 0.00 H new ATOM 0 H8 G B 10 -2.611 -6.796 13.390 1.00 0.00 H new ATOM 0 H1 G B 10 -4.984 -1.385 15.917 1.00 0.00 H new ATOM 0 H21 G B 10 -7.998 -3.133 16.022 1.00 0.00 H new ATOM 0 H22 G B 10 -7.138 -1.624 16.345 1.00 0.00 H new ATOM 324 P A B 11 -6.517 -6.509 9.376 1.00 0.00 P ATOM 325 OP1 A B 11 -7.385 -7.047 8.306 1.00 0.00 O ATOM 326 OP2 A B 11 -5.200 -5.932 9.029 1.00 0.00 O ATOM 327 O5' A B 11 -7.353 -5.388 10.183 1.00 0.00 O ATOM 328 C5' A B 11 -8.700 -5.609 10.543 1.00 0.00 C ATOM 329 C4' A B 11 -9.233 -4.407 11.326 1.00 0.00 C ATOM 330 O4' A B 11 -8.430 -4.142 12.479 1.00 0.00 O ATOM 331 C3' A B 11 -9.226 -3.112 10.539 1.00 0.00 C ATOM 332 O3' A B 11 -10.319 -3.017 9.647 1.00 0.00 O ATOM 333 C2' A B 11 -9.330 -2.101 11.646 1.00 0.00 C ATOM 334 O2' A B 11 -10.658 -2.050 12.125 1.00 0.00 O ATOM 335 C1' A B 11 -8.435 -2.722 12.713 1.00 0.00 C ATOM 336 N9 A B 11 -7.060 -2.182 12.592 1.00 0.00 N ATOM 337 C8 A B 11 -5.913 -2.812 12.177 1.00 0.00 C ATOM 338 N7 A B 11 -4.846 -2.065 12.239 1.00 0.00 N ATOM 339 C5 A B 11 -5.320 -0.847 12.712 1.00 0.00 C ATOM 340 C6 A B 11 -4.687 0.377 12.993 1.00 0.00 C ATOM 341 N6 A B 11 -3.371 0.574 12.843 1.00 0.00 N ATOM 342 N1 A B 11 -5.457 1.394 13.420 1.00 0.00 N ATOM 343 C2 A B 11 -6.764 1.197 13.568 1.00 0.00 C ATOM 344 N3 A B 11 -7.472 0.096 13.354 1.00 0.00 N ATOM 345 C4 A B 11 -6.671 -0.905 12.917 1.00 0.00 C ATOM 0 H5' A B 11 -8.781 -6.513 11.147 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.303 -5.768 9.649 1.00 0.00 H new ATOM 0 H4' A B 11 -10.255 -4.691 11.577 1.00 0.00 H new ATOM 0 H3' A B 11 -8.354 -2.994 9.895 1.00 0.00 H new ATOM 0 H2' A B 11 -9.054 -1.088 11.353 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.271 -2.347 11.421 1.00 0.00 H new ATOM 0 H1' A B 11 -8.800 -2.494 13.714 1.00 0.00 H new ATOM 0 H8 A B 11 -5.896 -3.835 11.830 1.00 0.00 H new ATOM 0 H61 A B 11 -2.963 1.483 13.062 1.00 0.00 H new ATOM 0 H62 A B 11 -2.776 -0.185 12.510 1.00 0.00 H new ATOM 0 H2 A B 11 -7.327 2.053 13.910 1.00 0.00 H new ATOM 357 P U B 12 -10.081 -2.699 8.093 1.00 0.00 P ATOM 358 OP1 U B 12 -11.370 -2.838 7.380 1.00 0.00 O ATOM 359 OP2 U B 12 -8.893 -3.452 7.633 1.00 0.00 O ATOM 360 O5' U B 12 -9.705 -1.138 8.169 1.00 0.00 O ATOM 361 C5' U B 12 -10.687 -0.184 8.524 1.00 0.00 C ATOM 362 C4' U B 12 -10.030 1.168 8.802 1.00 0.00 C ATOM 363 O4' U B 12 -9.150 1.087 9.920 1.00 0.00 O ATOM 364 C3' U B 12 -9.174 1.655 7.653 1.00 0.00 C ATOM 365 O3' U B 12 -9.949 2.202 6.602 1.00 0.00 O ATOM 366 C2' U B 12 -8.349 2.700 8.364 1.00 0.00 C ATOM 367 O2' U B 12 -9.124 3.863 8.561 1.00 0.00 O ATOM 368 C1' U B 12 -8.102 2.047 9.727 1.00 0.00 C ATOM 369 N1 U B 12 -6.778 1.377 9.742 1.00 0.00 N ATOM 370 C2 U B 12 -5.670 2.177 9.975 1.00 0.00 C ATOM 371 O2 U B 12 -5.771 3.386 10.168 1.00 0.00 O ATOM 372 N3 U B 12 -4.439 1.539 9.981 1.00 0.00 N ATOM 373 C4 U B 12 -4.226 0.186 9.768 1.00 0.00 C ATOM 374 O4 U B 12 -3.088 -0.277 9.782 1.00 0.00 O ATOM 375 C5 U B 12 -5.439 -0.577 9.550 1.00 0.00 C ATOM 376 C6 U B 12 -6.651 0.025 9.546 1.00 0.00 C ATOM 0 H5' U B 12 -11.230 -0.521 9.407 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.416 -0.084 7.720 1.00 0.00 H new ATOM 0 H4' U B 12 -10.861 1.852 8.975 1.00 0.00 H new ATOM 0 H3' U B 12 -8.594 0.880 7.153 1.00 0.00 H new ATOM 0 H2' U B 12 -7.446 2.985 7.824 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.548 4.591 8.876 1.00 0.00 H new ATOM 0 H1' U B 12 -8.102 2.790 10.525 1.00 0.00 H new ATOM 0 H3 U B 12 -3.617 2.117 10.158 1.00 0.00 H new ATOM 0 H5 U B 12 -5.375 -1.643 9.388 1.00 0.00 H new ATOM 0 H6 U B 12 -7.537 -0.571 9.385 1.00 0.00 H new ATOM 387 P G B 13 -9.264 2.624 5.203 1.00 0.00 P ATOM 388 OP1 G B 13 -10.337 3.034 4.270 1.00 0.00 O ATOM 389 OP2 G B 13 -8.322 1.551 4.814 1.00 0.00 O ATOM 390 O5' G B 13 -8.405 3.932 5.584 1.00 0.00 O ATOM 391 C5' G B 13 -9.035 5.180 5.798 1.00 0.00 C ATOM 392 C4' G B 13 -7.976 6.223 6.159 1.00 0.00 C ATOM 393 O4' G B 13 -7.265 5.851 7.335 1.00 0.00 O ATOM 394 C3' G B 13 -6.912 6.341 5.088 1.00 0.00 C ATOM 395 O3' G B 13 -7.344 7.110 3.974 1.00 0.00 O ATOM 396 C2' G B 13 -5.822 7.035 5.866 1.00 0.00 C ATOM 397 O2' G B 13 -6.075 8.423 5.903 1.00 0.00 O ATOM 398 C1' G B 13 -5.976 6.471 7.272 1.00 0.00 C ATOM 399 N9 G B 13 -4.907 5.486 7.522 1.00 0.00 N ATOM 400 C8 G B 13 -4.943 4.128 7.385 1.00 0.00 C ATOM 401 N7 G B 13 -3.812 3.535 7.659 1.00 0.00 N ATOM 402 C5 G B 13 -2.961 4.583 7.996 1.00 0.00 C ATOM 403 C6 G B 13 -1.585 4.567 8.380 1.00 0.00 C ATOM 404 O6 G B 13 -0.835 3.602 8.522 1.00 0.00 O ATOM 405 N1 G B 13 -1.108 5.847 8.604 1.00 0.00 N ATOM 406 C2 G B 13 -1.842 7.004 8.490 1.00 0.00 C ATOM 407 N2 G B 13 -1.202 8.147 8.755 1.00 0.00 N ATOM 408 N3 G B 13 -3.131 7.027 8.139 1.00 0.00 N ATOM 409 C4 G B 13 -3.624 5.784 7.906 1.00 0.00 C ATOM 0 H5' G B 13 -9.769 5.097 6.599 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.574 5.487 4.902 1.00 0.00 H new ATOM 0 H4' G B 13 -8.526 7.156 6.285 1.00 0.00 H new ATOM 0 H3' G B 13 -6.620 5.393 4.637 1.00 0.00 H new ATOM 0 H2' G B 13 -4.831 6.884 5.438 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.720 8.657 5.203 1.00 0.00 H new ATOM 0 H1' G B 13 -5.897 7.251 8.030 1.00 0.00 H new ATOM 0 H8 G B 13 -5.828 3.592 7.077 1.00 0.00 H new ATOM 0 H1 G B 13 -0.129 5.940 8.877 1.00 0.00 H new ATOM 0 H21 G B 13 -1.697 9.036 8.687 1.00 0.00 H new ATOM 0 H22 G B 13 -0.219 8.130 9.026 1.00 0.00 H new ATOM 421 P U B 14 -6.548 7.057 2.563 1.00 0.00 P ATOM 422 OP1 U B 14 -7.291 7.885 1.588 1.00 0.00 O ATOM 423 OP2 U B 14 -6.271 5.637 2.256 1.00 0.00 O ATOM 424 O5' U B 14 -5.134 7.785 2.860 1.00 0.00 O ATOM 425 C5' U B 14 -4.996 9.191 2.772 1.00 0.00 C ATOM 426 C4' U B 14 -3.530 9.587 3.016 1.00 0.00 C ATOM 427 O4' U B 14 -3.084 9.201 4.323 1.00 0.00 O ATOM 428 C3' U B 14 -2.570 8.906 2.055 1.00 0.00 C ATOM 429 O3' U B 14 -2.526 9.509 0.777 1.00 0.00 O ATOM 430 C2' U B 14 -1.275 9.108 2.796 1.00 0.00 C ATOM 431 O2' U B 14 -0.859 10.455 2.686 1.00 0.00 O ATOM 432 C1' U B 14 -1.687 8.846 4.231 1.00 0.00 C ATOM 433 N1 U B 14 -1.495 7.413 4.575 1.00 0.00 N ATOM 434 C2 U B 14 -0.273 7.040 5.118 1.00 0.00 C ATOM 435 O2 U B 14 0.646 7.839 5.280 1.00 0.00 O ATOM 436 N3 U B 14 -0.142 5.707 5.469 1.00 0.00 N ATOM 437 C4 U B 14 -1.109 4.727 5.325 1.00 0.00 C ATOM 438 O4 U B 14 -0.874 3.566 5.646 1.00 0.00 O ATOM 439 C5 U B 14 -2.357 5.209 4.776 1.00 0.00 C ATOM 440 C6 U B 14 -2.505 6.504 4.419 1.00 0.00 C ATOM 0 H5' U B 14 -5.640 9.675 3.506 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.317 9.536 1.789 1.00 0.00 H new ATOM 0 H4' U B 14 -3.519 10.669 2.882 1.00 0.00 H new ATOM 0 H3' U B 14 -2.836 7.873 1.829 1.00 0.00 H new ATOM 0 H2' U B 14 -0.462 8.481 2.430 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.359 10.894 1.966 1.00 0.00 H new ATOM 0 H1' U B 14 -1.083 9.428 4.926 1.00 0.00 H new ATOM 0 H3 U B 14 0.750 5.420 5.871 1.00 0.00 H new ATOM 0 H5 U B 14 -3.183 4.524 4.649 1.00 0.00 H new ATOM 0 H6 U B 14 -3.445 6.830 4.000 1.00 0.00 H new ATOM 451 P C B 15 -1.807 8.754 -0.462 1.00 0.00 P ATOM 452 OP1 C B 15 -1.811 9.671 -1.623 1.00 0.00 O ATOM 453 OP2 C B 15 -2.418 7.412 -0.588 1.00 0.00 O ATOM 454 O5' C B 15 -0.273 8.557 0.019 1.00 0.00 O ATOM 455 C5' C B 15 0.643 9.634 0.002 1.00 0.00 C ATOM 456 C4' C B 15 2.031 9.155 0.452 1.00 0.00 C ATOM 457 O4' C B 15 2.019 8.623 1.782 1.00 0.00 O ATOM 458 C3' C B 15 2.561 8.027 -0.408 1.00 0.00 C ATOM 459 O3' C B 15 3.031 8.477 -1.666 1.00 0.00 O ATOM 460 C2' C B 15 3.685 7.543 0.475 1.00 0.00 C ATOM 461 O2' C B 15 4.758 8.458 0.405 1.00 0.00 O ATOM 462 C1' C B 15 3.069 7.634 1.871 1.00 0.00 C ATOM 463 N1 C B 15 2.525 6.310 2.282 1.00 0.00 N ATOM 464 C2 C B 15 3.444 5.326 2.639 1.00 0.00 C ATOM 465 O2 C B 15 4.649 5.565 2.614 1.00 0.00 O ATOM 466 N3 C B 15 2.971 4.105 3.014 1.00 0.00 N ATOM 467 C4 C B 15 1.655 3.853 3.035 1.00 0.00 C ATOM 468 N4 C B 15 1.234 2.643 3.414 1.00 0.00 N ATOM 469 C5 C B 15 0.699 4.855 2.677 1.00 0.00 C ATOM 470 C6 C B 15 1.179 6.064 2.317 1.00 0.00 C ATOM 0 H5' C B 15 0.293 10.429 0.660 1.00 0.00 H new ATOM 0 H5'' C B 15 0.703 10.055 -1.002 1.00 0.00 H new ATOM 0 H4' C B 15 2.654 10.046 0.377 1.00 0.00 H new ATOM 0 H3' C B 15 1.822 7.272 -0.677 1.00 0.00 H new ATOM 0 H2' C B 15 4.058 6.554 0.207 1.00 0.00 H new ATOM 0 HO2' C B 15 4.668 9.006 -0.402 1.00 0.00 H new ATOM 0 H1' C B 15 3.808 7.917 2.621 1.00 0.00 H new ATOM 0 H41 C B 15 0.236 2.434 3.436 1.00 0.00 H new ATOM 0 H42 C B 15 1.911 1.928 3.681 1.00 0.00 H new ATOM 0 H5 C B 15 -0.362 4.653 2.694 1.00 0.00 H new ATOM 0 H6 C B 15 0.489 6.851 2.052 1.00 0.00 H new ATOM 482 P C B 16 3.302 7.431 -2.869 1.00 0.00 P ATOM 483 OP1 C B 16 3.780 8.194 -4.043 1.00 0.00 O ATOM 484 OP2 C B 16 2.110 6.565 -2.994 1.00 0.00 O ATOM 485 O5' C B 16 4.522 6.520 -2.336 1.00 0.00 O ATOM 486 C5' C B 16 5.862 6.965 -2.421 1.00 0.00 C ATOM 487 C4' C B 16 6.792 5.864 -1.906 1.00 0.00 C ATOM 488 O4' C B 16 6.512 5.531 -0.552 1.00 0.00 O ATOM 489 C3' C B 16 6.605 4.566 -2.655 1.00 0.00 C ATOM 490 O3' C B 16 7.212 4.575 -3.928 1.00 0.00 O ATOM 491 C2' C B 16 7.274 3.601 -1.729 1.00 0.00 C ATOM 492 O2' C B 16 8.676 3.689 -1.878 1.00 0.00 O ATOM 493 C1' C B 16 6.866 4.150 -0.367 1.00 0.00 C ATOM 494 N1 C B 16 5.706 3.369 0.118 1.00 0.00 N ATOM 495 C2 C B 16 5.967 2.152 0.740 1.00 0.00 C ATOM 496 O2 C B 16 7.126 1.803 0.959 1.00 0.00 O ATOM 497 N3 C B 16 4.912 1.364 1.086 1.00 0.00 N ATOM 498 C4 C B 16 3.655 1.745 0.822 1.00 0.00 C ATOM 499 N4 C B 16 2.647 0.944 1.180 1.00 0.00 N ATOM 500 C5 C B 16 3.377 2.985 0.161 1.00 0.00 C ATOM 501 C6 C B 16 4.429 3.759 -0.163 1.00 0.00 C ATOM 0 H5' C B 16 5.994 7.873 -1.833 1.00 0.00 H new ATOM 0 H5'' C B 16 6.110 7.214 -3.453 1.00 0.00 H new ATOM 0 H4' C B 16 7.796 6.269 -2.035 1.00 0.00 H new ATOM 0 H3' C B 16 5.563 4.336 -2.876 1.00 0.00 H new ATOM 0 H2' C B 16 7.003 2.558 -1.894 1.00 0.00 H new ATOM 0 HO2' C B 16 8.890 4.003 -2.781 1.00 0.00 H new ATOM 0 HO3' C B 16 7.062 3.712 -4.368 1.00 0.00 H new ATOM 0 H1' C B 16 7.670 4.073 0.365 1.00 0.00 H new ATOM 0 H41 C B 16 1.684 1.219 0.987 1.00 0.00 H new ATOM 0 H42 C B 16 2.841 0.058 1.647 1.00 0.00 H new ATOM 0 H5 C B 16 2.365 3.286 -0.068 1.00 0.00 H new ATOM 0 H6 C B 16 4.260 4.706 -0.654 1.00 0.00 H new TER 514 C B 16