USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 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 8 C O2' : rot 180:sc= -1.11 USER MOD Single : A 8 C O5' : rot 180:sc= -0.703 USER MOD Single : A 9 C O2' : rot -19:sc= 0.104 USER MOD Single : A 10 G O2' : rot -139:sc= 1.2 USER MOD Single : A 11 U O2' : rot -119:sc= -2.32! USER MOD Single : A 12 U O2' : rot -20:sc= 0.281 USER MOD Single : A 13 G O2' : rot -106:sc= 1.99 USER MOD Single : A 14 A O2' : rot -19:sc= 0.0835 USER MOD Single : A 15 A O2' : rot -122:sc= -0.493! USER MOD Single : A 16 U O2' : rot 139:sc= 0.258 USER MOD Single : A 17 C O2' : rot -54:sc= -2.19! USER MOD Single : A 18 U O2' : rot -172:sc= 0.577 USER MOD Single : A 19 C O2' : rot -25:sc= 0.153 USER MOD Single : A 20 A O2' : rot -170:sc= 0.769 USER MOD Single : A 21 C O2' : rot 44:sc= -0.631! USER MOD Single : A 22 G O2' : rot 180:sc= -0.446 USER MOD Single : A 23 G O2' : rot -24:sc= 0.0894 USER MOD Single : A 23 G O3' : rot 180:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 3.103 -5.198 -12.207 1.00 0.00 O ATOM 2 C5' C A 8 3.271 -6.351 -13.029 1.00 0.00 C ATOM 3 C4' C A 8 4.019 -7.429 -12.276 1.00 0.00 C ATOM 4 O4' C A 8 5.399 -7.009 -12.104 1.00 0.00 O ATOM 5 C3' C A 8 3.527 -7.717 -10.862 1.00 0.00 C ATOM 6 O3' C A 8 2.461 -8.660 -10.863 1.00 0.00 O ATOM 7 C2' C A 8 4.776 -8.256 -10.175 1.00 0.00 C ATOM 8 O2' C A 8 4.999 -9.616 -10.498 1.00 0.00 O ATOM 9 C1' C A 8 5.870 -7.414 -10.830 1.00 0.00 C ATOM 10 N1 C A 8 6.241 -6.209 -10.061 1.00 0.00 N ATOM 11 C2 C A 8 7.248 -6.306 -9.083 1.00 0.00 C ATOM 12 O2 C A 8 7.804 -7.400 -8.890 1.00 0.00 O ATOM 13 N3 C A 8 7.587 -5.204 -8.376 1.00 0.00 N ATOM 14 C4 C A 8 6.970 -4.044 -8.609 1.00 0.00 C ATOM 15 N4 C A 8 7.337 -2.985 -7.884 1.00 0.00 N ATOM 16 C5 C A 8 5.947 -3.916 -9.595 1.00 0.00 C ATOM 17 C6 C A 8 5.618 -5.013 -10.291 1.00 0.00 C ATOM 0 H5' C A 8 3.817 -6.084 -13.934 1.00 0.00 H new ATOM 0 H5'' C A 8 2.297 -6.727 -13.344 1.00 0.00 H new ATOM 0 H4' C A 8 3.873 -8.325 -12.880 1.00 0.00 H new ATOM 0 H3' C A 8 3.112 -6.844 -10.358 1.00 0.00 H new ATOM 0 H2' C A 8 4.723 -8.201 -9.088 1.00 0.00 H new ATOM 0 HO2' C A 8 5.808 -9.932 -10.043 1.00 0.00 H new ATOM 0 HO5' C A 8 2.619 -4.508 -12.707 1.00 0.00 H new ATOM 0 H1' C A 8 6.766 -8.033 -10.887 1.00 0.00 H new ATOM 0 H41 C A 8 6.887 -2.082 -8.035 1.00 0.00 H new ATOM 0 H42 C A 8 8.068 -3.078 -7.179 1.00 0.00 H new ATOM 0 H5 C A 8 5.456 -2.971 -9.774 1.00 0.00 H new ATOM 0 H6 C A 8 4.848 -4.952 -11.046 1.00 0.00 H new ATOM 29 P C A 9 1.499 -8.777 -9.580 1.00 0.00 P ATOM 30 OP1 C A 9 0.403 -9.714 -9.937 1.00 0.00 O ATOM 31 OP2 C A 9 1.168 -7.409 -9.105 1.00 0.00 O ATOM 32 O5' C A 9 2.413 -9.478 -8.479 1.00 0.00 O ATOM 33 C5' C A 9 2.863 -10.821 -8.648 1.00 0.00 C ATOM 34 C4' C A 9 3.689 -11.252 -7.456 1.00 0.00 C ATOM 35 O4' C A 9 4.902 -10.454 -7.413 1.00 0.00 O ATOM 36 C3' C A 9 3.040 -11.041 -6.094 1.00 0.00 C ATOM 37 O3' C A 9 2.218 -12.145 -5.731 1.00 0.00 O ATOM 38 C2' C A 9 4.241 -10.891 -5.167 1.00 0.00 C ATOM 39 O2' C A 9 4.793 -12.150 -4.830 1.00 0.00 O ATOM 40 C1' C A 9 5.232 -10.152 -6.068 1.00 0.00 C ATOM 41 N1 C A 9 5.221 -8.684 -5.900 1.00 0.00 N ATOM 42 C2 C A 9 6.013 -8.106 -4.892 1.00 0.00 C ATOM 43 O2 C A 9 6.702 -8.841 -4.164 1.00 0.00 O ATOM 44 N3 C A 9 6.005 -6.762 -4.738 1.00 0.00 N ATOM 45 C4 C A 9 5.252 -6.002 -5.537 1.00 0.00 C ATOM 46 N4 C A 9 5.277 -4.681 -5.348 1.00 0.00 N ATOM 47 C5 C A 9 4.441 -6.561 -6.567 1.00 0.00 C ATOM 48 C6 C A 9 4.455 -7.892 -6.712 1.00 0.00 C ATOM 0 H5' C A 9 3.457 -10.901 -9.559 1.00 0.00 H new ATOM 0 H5'' C A 9 2.008 -11.486 -8.766 1.00 0.00 H new ATOM 0 H4' C A 9 3.840 -12.321 -7.605 1.00 0.00 H new ATOM 0 H3' C A 9 2.370 -10.182 -6.061 1.00 0.00 H new ATOM 0 H2' C A 9 3.996 -10.396 -4.227 1.00 0.00 H new ATOM 0 HO2' C A 9 4.131 -12.853 -4.997 1.00 0.00 H new ATOM 0 H1' C A 9 6.232 -10.487 -5.791 1.00 0.00 H new ATOM 0 H41 C A 9 4.714 -4.070 -5.940 1.00 0.00 H new ATOM 0 H42 C A 9 5.859 -4.282 -4.611 1.00 0.00 H new ATOM 0 H5 C A 9 3.838 -5.934 -7.207 1.00 0.00 H new ATOM 0 H6 C A 9 3.852 -8.348 -7.483 1.00 0.00 H new ATOM 60 P G A 10 0.836 -11.889 -4.950 1.00 0.00 P ATOM 61 OP1 G A 10 0.183 -13.204 -4.724 1.00 0.00 O ATOM 62 OP2 G A 10 0.099 -10.821 -5.673 1.00 0.00 O ATOM 63 O5' G A 10 1.290 -11.307 -3.537 1.00 0.00 O ATOM 64 C5' G A 10 2.020 -12.111 -2.613 1.00 0.00 C ATOM 65 C4' G A 10 2.889 -11.239 -1.736 1.00 0.00 C ATOM 66 O4' G A 10 3.253 -10.057 -2.483 1.00 0.00 O ATOM 67 C3' G A 10 2.221 -10.739 -0.453 1.00 0.00 C ATOM 68 O3' G A 10 2.834 -11.310 0.699 1.00 0.00 O ATOM 69 C2' G A 10 2.374 -9.210 -0.482 1.00 0.00 C ATOM 70 O2' G A 10 2.934 -8.720 0.720 1.00 0.00 O ATOM 71 C1' G A 10 3.403 -8.990 -1.587 1.00 0.00 C ATOM 72 N9 G A 10 3.218 -7.736 -2.313 1.00 0.00 N ATOM 73 C8 G A 10 2.569 -7.557 -3.511 1.00 0.00 C ATOM 74 N7 G A 10 2.551 -6.314 -3.906 1.00 0.00 N ATOM 75 C5 G A 10 3.232 -5.628 -2.910 1.00 0.00 C ATOM 76 C6 G A 10 3.532 -4.244 -2.784 1.00 0.00 C ATOM 77 O6 G A 10 3.239 -3.317 -3.551 1.00 0.00 O ATOM 78 N1 G A 10 4.245 -3.980 -1.620 1.00 0.00 N ATOM 79 C2 G A 10 4.619 -4.920 -0.692 1.00 0.00 C ATOM 80 N2 G A 10 5.302 -4.464 0.368 1.00 0.00 N ATOM 81 N3 G A 10 4.344 -6.209 -0.794 1.00 0.00 N ATOM 82 C4 G A 10 3.654 -6.492 -1.920 1.00 0.00 C ATOM 0 H5' G A 10 2.639 -12.828 -3.153 1.00 0.00 H new ATOM 0 H5'' G A 10 1.330 -12.687 -1.996 1.00 0.00 H new ATOM 0 H4' G A 10 3.731 -11.869 -1.449 1.00 0.00 H new ATOM 0 H3' G A 10 1.172 -11.029 -0.400 1.00 0.00 H new ATOM 0 H2' G A 10 1.415 -8.712 -0.625 1.00 0.00 H new ATOM 0 HO2' G A 10 2.478 -7.892 0.980 1.00 0.00 H new ATOM 0 H1' G A 10 4.394 -8.939 -1.137 1.00 0.00 H new ATOM 0 H8 G A 10 2.119 -8.364 -4.069 1.00 0.00 H new ATOM 0 H1 G A 10 4.511 -3.012 -1.441 1.00 0.00 H new ATOM 0 H21 G A 10 5.609 -5.112 1.094 1.00 0.00 H new ATOM 0 H22 G A 10 5.514 -3.470 0.448 1.00 0.00 H new ATOM 94 P U A 11 1.964 -11.555 2.031 1.00 0.00 P ATOM 95 OP1 U A 11 2.708 -12.513 2.891 1.00 0.00 O ATOM 96 OP2 U A 11 0.572 -11.873 1.620 1.00 0.00 O ATOM 97 O5' U A 11 1.946 -10.132 2.751 1.00 0.00 O ATOM 98 C5' U A 11 3.017 -9.720 3.600 1.00 0.00 C ATOM 99 C4' U A 11 2.633 -8.476 4.372 1.00 0.00 C ATOM 100 O4' U A 11 2.575 -7.352 3.447 1.00 0.00 O ATOM 101 C3' U A 11 1.271 -8.519 5.072 1.00 0.00 C ATOM 102 O3' U A 11 1.295 -7.985 6.411 1.00 0.00 O ATOM 103 C2' U A 11 0.358 -7.744 4.124 1.00 0.00 C ATOM 104 O2' U A 11 -0.670 -7.076 4.828 1.00 0.00 O ATOM 105 C1' U A 11 1.325 -6.708 3.556 1.00 0.00 C ATOM 106 N1 U A 11 0.960 -6.166 2.237 1.00 0.00 N ATOM 107 C2 U A 11 0.933 -4.784 2.090 1.00 0.00 C ATOM 108 O2 U A 11 1.197 -4.010 2.997 1.00 0.00 O ATOM 109 N3 U A 11 0.585 -4.341 0.838 1.00 0.00 N ATOM 110 C4 U A 11 0.268 -5.115 -0.259 1.00 0.00 C ATOM 111 O4 U A 11 -0.031 -4.567 -1.321 1.00 0.00 O ATOM 112 C5 U A 11 0.319 -6.525 -0.028 1.00 0.00 C ATOM 113 C6 U A 11 0.654 -6.995 1.178 1.00 0.00 C ATOM 0 H5' U A 11 3.908 -9.524 3.003 1.00 0.00 H new ATOM 0 H5'' U A 11 3.268 -10.522 4.294 1.00 0.00 H new ATOM 0 H4' U A 11 3.394 -8.388 5.147 1.00 0.00 H new ATOM 0 H3' U A 11 0.924 -9.539 5.240 1.00 0.00 H new ATOM 0 H2' U A 11 -0.138 -8.378 3.389 1.00 0.00 H new ATOM 0 HO2' U A 11 -1.542 -7.409 4.529 1.00 0.00 H new ATOM 0 H1' U A 11 1.319 -5.850 4.229 1.00 0.00 H new ATOM 0 H3 U A 11 0.558 -3.330 0.705 1.00 0.00 H new ATOM 0 H5 U A 11 0.087 -7.211 -0.829 1.00 0.00 H new ATOM 0 H6 U A 11 0.686 -8.064 1.329 1.00 0.00 H new ATOM 124 P U A 12 1.950 -6.538 6.725 1.00 0.00 P ATOM 125 OP1 U A 12 3.185 -6.350 5.923 1.00 0.00 O ATOM 126 OP2 U A 12 2.022 -6.431 8.206 1.00 0.00 O ATOM 127 O5' U A 12 0.867 -5.490 6.203 1.00 0.00 O ATOM 128 C5' U A 12 -0.197 -5.041 7.041 1.00 0.00 C ATOM 129 C4' U A 12 -0.596 -3.633 6.663 1.00 0.00 C ATOM 130 O4' U A 12 -0.729 -3.560 5.215 1.00 0.00 O ATOM 131 C3' U A 12 -1.934 -3.160 7.229 1.00 0.00 C ATOM 132 O3' U A 12 -1.871 -1.792 7.614 1.00 0.00 O ATOM 133 C2' U A 12 -2.908 -3.390 6.077 1.00 0.00 C ATOM 134 O2' U A 12 -3.968 -2.452 6.099 1.00 0.00 O ATOM 135 C1' U A 12 -2.016 -3.086 4.878 1.00 0.00 C ATOM 136 N1 U A 12 -2.446 -3.731 3.626 1.00 0.00 N ATOM 137 C2 U A 12 -3.258 -3.006 2.762 1.00 0.00 C ATOM 138 O2 U A 12 -3.633 -1.867 2.994 1.00 0.00 O ATOM 139 N3 U A 12 -3.618 -3.668 1.614 1.00 0.00 N ATOM 140 C4 U A 12 -3.261 -4.949 1.247 1.00 0.00 C ATOM 141 O4 U A 12 -3.663 -5.406 0.177 1.00 0.00 O ATOM 142 C5 U A 12 -2.427 -5.627 2.189 1.00 0.00 C ATOM 143 C6 U A 12 -2.054 -5.015 3.318 1.00 0.00 C ATOM 0 H5' U A 12 0.114 -5.071 8.085 1.00 0.00 H new ATOM 0 H5'' U A 12 -1.053 -5.709 6.944 1.00 0.00 H new ATOM 0 H4' U A 12 0.186 -2.997 7.079 1.00 0.00 H new ATOM 0 H3' U A 12 -2.232 -3.690 8.133 1.00 0.00 H new ATOM 0 H2' U A 12 -3.370 -4.377 6.092 1.00 0.00 H new ATOM 0 HO2' U A 12 -4.044 -2.065 6.996 1.00 0.00 H new ATOM 0 H1' U A 12 -2.054 -2.014 4.686 1.00 0.00 H new ATOM 0 H3 U A 12 -4.214 -3.157 0.962 1.00 0.00 H new ATOM 0 H5 U A 12 -2.097 -6.636 1.989 1.00 0.00 H new ATOM 0 H6 U A 12 -1.422 -5.547 4.014 1.00 0.00 H new ATOM 154 P G A 13 -2.424 -1.343 9.054 1.00 0.00 P ATOM 155 OP1 G A 13 -1.705 -2.122 10.094 1.00 0.00 O ATOM 156 OP2 G A 13 -3.907 -1.395 8.994 1.00 0.00 O ATOM 157 O5' G A 13 -1.987 0.185 9.171 1.00 0.00 O ATOM 158 C5' G A 13 -0.614 0.549 9.302 1.00 0.00 C ATOM 159 C4' G A 13 -0.301 1.742 8.427 1.00 0.00 C ATOM 160 O4' G A 13 -0.407 1.336 7.042 1.00 0.00 O ATOM 161 C3' G A 13 -1.244 2.940 8.589 1.00 0.00 C ATOM 162 O3' G A 13 -0.549 4.088 9.064 1.00 0.00 O ATOM 163 C2' G A 13 -1.837 3.174 7.193 1.00 0.00 C ATOM 164 O2' G A 13 -1.795 4.540 6.831 1.00 0.00 O ATOM 165 C1' G A 13 -0.863 2.427 6.290 1.00 0.00 C ATOM 166 N9 G A 13 -1.470 1.934 5.057 1.00 0.00 N ATOM 167 C8 G A 13 -2.238 0.806 4.908 1.00 0.00 C ATOM 168 N7 G A 13 -2.655 0.624 3.686 1.00 0.00 N ATOM 169 C5 G A 13 -2.130 1.698 2.980 1.00 0.00 C ATOM 170 C6 G A 13 -2.244 2.040 1.608 1.00 0.00 C ATOM 171 O6 G A 13 -2.853 1.442 0.712 1.00 0.00 O ATOM 172 N1 G A 13 -1.555 3.213 1.313 1.00 0.00 N ATOM 173 C2 G A 13 -0.846 3.961 2.221 1.00 0.00 C ATOM 174 N2 G A 13 -0.250 5.064 1.742 1.00 0.00 N ATOM 175 N3 G A 13 -0.730 3.653 3.502 1.00 0.00 N ATOM 176 C4 G A 13 -1.393 2.517 3.811 1.00 0.00 C ATOM 0 H5' G A 13 0.020 -0.292 9.022 1.00 0.00 H new ATOM 0 H5'' G A 13 -0.391 0.784 10.343 1.00 0.00 H new ATOM 0 H4' G A 13 0.696 2.063 8.731 1.00 0.00 H new ATOM 0 H3' G A 13 -2.021 2.747 9.328 1.00 0.00 H new ATOM 0 H2' G A 13 -2.878 2.855 7.133 1.00 0.00 H new ATOM 0 HO2' G A 13 -2.696 4.921 6.886 1.00 0.00 H new ATOM 0 H1' G A 13 -0.070 3.108 5.980 1.00 0.00 H new ATOM 0 H8 G A 13 -2.473 0.136 5.722 1.00 0.00 H new ATOM 0 H1 G A 13 -1.578 3.543 0.348 1.00 0.00 H new ATOM 0 H21 G A 13 0.292 5.663 2.365 1.00 0.00 H new ATOM 0 H22 G A 13 -0.339 5.304 0.755 1.00 0.00 H new ATOM 188 P A A 14 -1.329 5.182 9.950 1.00 0.00 P ATOM 189 OP1 A A 14 -0.565 6.454 9.896 1.00 0.00 O ATOM 190 OP2 A A 14 -1.624 4.559 11.265 1.00 0.00 O ATOM 191 O5' A A 14 -2.711 5.395 9.185 1.00 0.00 O ATOM 192 C5' A A 14 -3.580 6.474 9.521 1.00 0.00 C ATOM 193 C4' A A 14 -3.864 7.319 8.298 1.00 0.00 C ATOM 194 O4' A A 14 -3.226 6.718 7.139 1.00 0.00 O ATOM 195 C3' A A 14 -5.331 7.426 7.906 1.00 0.00 C ATOM 196 O3' A A 14 -5.992 8.460 8.632 1.00 0.00 O ATOM 197 C2' A A 14 -5.259 7.720 6.411 1.00 0.00 C ATOM 198 O2' A A 14 -4.973 9.084 6.165 1.00 0.00 O ATOM 199 C1' A A 14 -4.047 6.886 5.996 1.00 0.00 C ATOM 200 N9 A A 14 -4.397 5.563 5.477 1.00 0.00 N ATOM 201 C8 A A 14 -4.678 4.427 6.196 1.00 0.00 C ATOM 202 N7 A A 14 -4.962 3.386 5.452 1.00 0.00 N ATOM 203 C5 A A 14 -4.861 3.866 4.154 1.00 0.00 C ATOM 204 C6 A A 14 -5.043 3.252 2.903 1.00 0.00 C ATOM 205 N6 A A 14 -5.379 1.969 2.750 1.00 0.00 N ATOM 206 N1 A A 14 -4.866 4.009 1.799 1.00 0.00 N ATOM 207 C2 A A 14 -4.530 5.296 1.951 1.00 0.00 C ATOM 208 N3 A A 14 -4.329 5.987 3.073 1.00 0.00 N ATOM 209 C4 A A 14 -4.513 5.205 4.153 1.00 0.00 C ATOM 0 H5' A A 14 -3.125 7.088 10.298 1.00 0.00 H new ATOM 0 H5'' A A 14 -4.514 6.085 9.928 1.00 0.00 H new ATOM 0 H4' A A 14 -3.494 8.308 8.569 1.00 0.00 H new ATOM 0 H3' A A 14 -5.909 6.530 8.132 1.00 0.00 H new ATOM 0 H2' A A 14 -6.189 7.499 5.886 1.00 0.00 H new ATOM 0 HO2' A A 14 -5.183 9.612 6.964 1.00 0.00 H new ATOM 0 H1' A A 14 -3.542 7.418 5.189 1.00 0.00 H new ATOM 0 H8 A A 14 -4.666 4.394 7.275 1.00 0.00 H new ATOM 0 H61 A A 14 -5.497 1.581 1.814 1.00 0.00 H new ATOM 0 H62 A A 14 -5.518 1.377 3.569 1.00 0.00 H new ATOM 0 H2 A A 14 -4.404 5.853 1.035 1.00 0.00 H new ATOM 221 P A A 15 -7.597 8.586 8.573 1.00 0.00 P ATOM 222 OP1 A A 15 -8.033 9.358 9.765 1.00 0.00 O ATOM 223 OP2 A A 15 -8.158 7.228 8.336 1.00 0.00 O ATOM 224 O5' A A 15 -7.860 9.487 7.284 1.00 0.00 O ATOM 225 C5' A A 15 -8.927 9.199 6.383 1.00 0.00 C ATOM 226 C4' A A 15 -8.409 9.160 4.964 1.00 0.00 C ATOM 227 O4' A A 15 -7.745 7.884 4.756 1.00 0.00 O ATOM 228 C3' A A 15 -9.473 9.269 3.873 1.00 0.00 C ATOM 229 O3' A A 15 -9.028 10.094 2.799 1.00 0.00 O ATOM 230 C2' A A 15 -9.696 7.823 3.436 1.00 0.00 C ATOM 231 O2' A A 15 -9.995 7.736 2.057 1.00 0.00 O ATOM 232 C1' A A 15 -8.312 7.226 3.645 1.00 0.00 C ATOM 233 N9 A A 15 -8.321 5.787 3.908 1.00 0.00 N ATOM 234 C8 A A 15 -8.208 5.160 5.124 1.00 0.00 C ATOM 235 N7 A A 15 -8.253 3.852 5.052 1.00 0.00 N ATOM 236 C5 A A 15 -8.406 3.598 3.696 1.00 0.00 C ATOM 237 C6 A A 15 -8.518 2.403 2.965 1.00 0.00 C ATOM 238 N6 A A 15 -8.494 1.189 3.520 1.00 0.00 N ATOM 239 N1 A A 15 -8.659 2.498 1.625 1.00 0.00 N ATOM 240 C2 A A 15 -8.684 3.715 1.067 1.00 0.00 C ATOM 241 N3 A A 15 -8.588 4.909 1.648 1.00 0.00 N ATOM 242 C4 A A 15 -8.449 4.781 2.979 1.00 0.00 C ATOM 0 H5' A A 15 -9.705 9.957 6.474 1.00 0.00 H new ATOM 0 H5'' A A 15 -9.382 8.242 6.639 1.00 0.00 H new ATOM 0 H4' A A 15 -7.760 10.031 4.873 1.00 0.00 H new ATOM 0 H3' A A 15 -10.394 9.738 4.220 1.00 0.00 H new ATOM 0 H2' A A 15 -10.516 7.344 3.972 1.00 0.00 H new ATOM 0 HO2' A A 15 -10.865 7.301 1.938 1.00 0.00 H new ATOM 0 H1' A A 15 -7.743 7.364 2.726 1.00 0.00 H new ATOM 0 H8 A A 15 -8.093 5.695 6.055 1.00 0.00 H new ATOM 0 H61 A A 15 -8.580 0.359 2.934 1.00 0.00 H new ATOM 0 H62 A A 15 -8.390 1.092 4.530 1.00 0.00 H new ATOM 0 H2 A A 15 -8.798 3.730 -0.007 1.00 0.00 H new ATOM 254 P U A 16 -10.047 11.133 2.112 1.00 0.00 P ATOM 255 OP1 U A 16 -9.221 12.132 1.384 1.00 0.00 O ATOM 256 OP2 U A 16 -11.022 11.597 3.133 1.00 0.00 O ATOM 257 O5' U A 16 -10.836 10.252 1.042 1.00 0.00 O ATOM 258 C5' U A 16 -10.280 9.982 -0.244 1.00 0.00 C ATOM 259 C4' U A 16 -11.133 8.974 -0.984 1.00 0.00 C ATOM 260 O4' U A 16 -11.646 7.999 -0.033 1.00 0.00 O ATOM 261 C3' U A 16 -12.362 9.547 -1.683 1.00 0.00 C ATOM 262 O3' U A 16 -12.633 8.847 -2.893 1.00 0.00 O ATOM 263 C2' U A 16 -13.469 9.367 -0.649 1.00 0.00 C ATOM 264 O2' U A 16 -14.731 9.198 -1.265 1.00 0.00 O ATOM 265 C1' U A 16 -13.060 8.043 -0.009 1.00 0.00 C ATOM 266 N1 U A 16 -13.508 7.876 1.385 1.00 0.00 N ATOM 267 C2 U A 16 -14.777 7.357 1.613 1.00 0.00 C ATOM 268 O2 U A 16 -15.545 7.045 0.715 1.00 0.00 O ATOM 269 N3 U A 16 -15.114 7.218 2.938 1.00 0.00 N ATOM 270 C4 U A 16 -14.334 7.535 4.031 1.00 0.00 C ATOM 271 O4 U A 16 -14.777 7.348 5.166 1.00 0.00 O ATOM 272 C5 U A 16 -13.046 8.063 3.709 1.00 0.00 C ATOM 273 C6 U A 16 -12.685 8.217 2.434 1.00 0.00 C ATOM 0 H5' U A 16 -9.265 9.600 -0.136 1.00 0.00 H new ATOM 0 H5'' U A 16 -10.214 10.905 -0.820 1.00 0.00 H new ATOM 0 H4' U A 16 -10.471 8.561 -1.745 1.00 0.00 H new ATOM 0 H3' U A 16 -12.245 10.588 -1.985 1.00 0.00 H new ATOM 0 H2' U A 16 -13.568 10.215 0.028 1.00 0.00 H new ATOM 0 HO2' U A 16 -15.237 8.507 -0.789 1.00 0.00 H new ATOM 0 H1' U A 16 -13.534 7.241 -0.574 1.00 0.00 H new ATOM 0 H3 U A 16 -16.041 6.840 3.135 1.00 0.00 H new ATOM 0 H5 U A 16 -12.363 8.338 4.499 1.00 0.00 H new ATOM 0 H6 U A 16 -11.709 8.625 2.217 1.00 0.00 H new ATOM 284 P C A 17 -12.056 9.407 -4.285 1.00 0.00 P ATOM 285 OP1 C A 17 -12.554 10.795 -4.465 1.00 0.00 O ATOM 286 OP2 C A 17 -12.340 8.385 -5.324 1.00 0.00 O ATOM 287 O5' C A 17 -10.478 9.459 -4.062 1.00 0.00 O ATOM 288 C5' C A 17 -9.651 10.284 -4.882 1.00 0.00 C ATOM 289 C4' C A 17 -8.390 9.543 -5.280 1.00 0.00 C ATOM 290 O4' C A 17 -7.484 9.518 -4.139 1.00 0.00 O ATOM 291 C3' C A 17 -8.569 8.084 -5.699 1.00 0.00 C ATOM 292 O3' C A 17 -7.708 7.760 -6.789 1.00 0.00 O ATOM 293 C2' C A 17 -8.219 7.311 -4.431 1.00 0.00 C ATOM 294 O2' C A 17 -7.679 6.040 -4.725 1.00 0.00 O ATOM 295 C1' C A 17 -7.111 8.187 -3.855 1.00 0.00 C ATOM 296 N1 C A 17 -6.892 8.060 -2.402 1.00 0.00 N ATOM 297 C2 C A 17 -5.581 7.885 -1.930 1.00 0.00 C ATOM 298 O2 C A 17 -4.644 7.829 -2.744 1.00 0.00 O ATOM 299 N3 C A 17 -5.368 7.781 -0.600 1.00 0.00 N ATOM 300 C4 C A 17 -6.396 7.840 0.248 1.00 0.00 C ATOM 301 N4 C A 17 -6.133 7.748 1.551 1.00 0.00 N ATOM 302 C5 C A 17 -7.740 8.000 -0.202 1.00 0.00 C ATOM 303 C6 C A 17 -7.939 8.112 -1.522 1.00 0.00 C ATOM 0 H5' C A 17 -9.390 11.196 -4.345 1.00 0.00 H new ATOM 0 H5'' C A 17 -10.199 10.586 -5.774 1.00 0.00 H new ATOM 0 H4' C A 17 -8.021 10.087 -6.149 1.00 0.00 H new ATOM 0 H3' C A 17 -9.571 7.851 -6.059 1.00 0.00 H new ATOM 0 H2' C A 17 -9.078 7.134 -3.784 1.00 0.00 H new ATOM 0 HO2' C A 17 -8.293 5.552 -5.312 1.00 0.00 H new ATOM 0 H1' C A 17 -6.171 7.871 -4.308 1.00 0.00 H new ATOM 0 H41 C A 17 -6.894 7.789 2.229 1.00 0.00 H new ATOM 0 H42 C A 17 -5.171 7.636 1.870 1.00 0.00 H new ATOM 0 H5 C A 17 -8.565 8.030 0.494 1.00 0.00 H new ATOM 0 H6 C A 17 -8.943 8.246 -1.898 1.00 0.00 H new ATOM 315 P U A 18 -7.974 6.432 -7.661 1.00 0.00 P ATOM 316 OP1 U A 18 -8.183 6.868 -9.066 1.00 0.00 O ATOM 317 OP2 U A 18 -9.004 5.593 -6.995 1.00 0.00 O ATOM 318 O5' U A 18 -6.585 5.653 -7.593 1.00 0.00 O ATOM 319 C5' U A 18 -5.396 6.226 -8.133 1.00 0.00 C ATOM 320 C4' U A 18 -4.249 6.088 -7.154 1.00 0.00 C ATOM 321 O4' U A 18 -4.738 5.479 -5.923 1.00 0.00 O ATOM 322 C3' U A 18 -3.101 5.198 -7.625 1.00 0.00 C ATOM 323 O3' U A 18 -1.848 5.749 -7.230 1.00 0.00 O ATOM 324 C2' U A 18 -3.386 3.864 -6.942 1.00 0.00 C ATOM 325 O2' U A 18 -2.188 3.155 -6.692 1.00 0.00 O ATOM 326 C1' U A 18 -3.964 4.338 -5.609 1.00 0.00 C ATOM 327 N1 U A 18 -4.826 3.387 -4.878 1.00 0.00 N ATOM 328 C2 U A 18 -4.408 2.061 -4.711 1.00 0.00 C ATOM 329 O2 U A 18 -3.353 1.626 -5.140 1.00 0.00 O ATOM 330 N3 U A 18 -5.281 1.265 -4.011 1.00 0.00 N ATOM 331 C4 U A 18 -6.491 1.634 -3.467 1.00 0.00 C ATOM 332 O4 U A 18 -7.162 0.798 -2.860 1.00 0.00 O ATOM 333 C5 U A 18 -6.844 3.002 -3.675 1.00 0.00 C ATOM 334 C6 U A 18 -6.029 3.811 -4.357 1.00 0.00 C ATOM 0 H5' U A 18 -5.563 7.279 -8.360 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.142 5.734 -9.072 1.00 0.00 H new ATOM 0 H4' U A 18 -3.869 7.102 -7.031 1.00 0.00 H new ATOM 0 H3' U A 18 -3.039 5.098 -8.709 1.00 0.00 H new ATOM 0 H2' U A 18 -4.023 3.200 -7.526 1.00 0.00 H new ATOM 0 HO2' U A 18 -2.402 2.252 -6.377 1.00 0.00 H new ATOM 0 H1' U A 18 -3.121 4.503 -4.938 1.00 0.00 H new ATOM 0 H3 U A 18 -5.002 0.293 -3.879 1.00 0.00 H new ATOM 0 H5 U A 18 -7.774 3.384 -3.279 1.00 0.00 H new ATOM 0 H6 U A 18 -6.325 4.839 -4.506 1.00 0.00 H new ATOM 345 P C A 19 -0.506 5.354 -8.025 1.00 0.00 P ATOM 346 OP1 C A 19 -0.175 6.505 -8.905 1.00 0.00 O ATOM 347 OP2 C A 19 -0.664 4.002 -8.622 1.00 0.00 O ATOM 348 O5' C A 19 0.593 5.251 -6.873 1.00 0.00 O ATOM 349 C5' C A 19 1.584 6.264 -6.703 1.00 0.00 C ATOM 350 C4' C A 19 1.560 6.791 -5.285 1.00 0.00 C ATOM 351 O4' C A 19 0.211 6.721 -4.759 1.00 0.00 O ATOM 352 C3' C A 19 2.386 6.004 -4.280 1.00 0.00 C ATOM 353 O3' C A 19 3.755 6.396 -4.321 1.00 0.00 O ATOM 354 C2' C A 19 1.725 6.350 -2.947 1.00 0.00 C ATOM 355 O2' C A 19 2.206 7.581 -2.441 1.00 0.00 O ATOM 356 C1' C A 19 0.260 6.537 -3.355 1.00 0.00 C ATOM 357 N1 C A 19 -0.612 5.400 -2.996 1.00 0.00 N ATOM 358 C2 C A 19 -1.186 5.358 -1.712 1.00 0.00 C ATOM 359 O2 C A 19 -0.938 6.271 -0.905 1.00 0.00 O ATOM 360 N3 C A 19 -1.995 4.325 -1.385 1.00 0.00 N ATOM 361 C4 C A 19 -2.238 3.359 -2.274 1.00 0.00 C ATOM 362 N4 C A 19 -3.043 2.359 -1.905 1.00 0.00 N ATOM 363 C5 C A 19 -1.667 3.373 -3.580 1.00 0.00 C ATOM 364 C6 C A 19 -0.866 4.400 -3.895 1.00 0.00 C ATOM 0 H5' C A 19 1.404 7.079 -7.404 1.00 0.00 H new ATOM 0 H5'' C A 19 2.570 5.859 -6.931 1.00 0.00 H new ATOM 0 H4' C A 19 1.969 7.797 -5.380 1.00 0.00 H new ATOM 0 H3' C A 19 2.402 4.931 -4.472 1.00 0.00 H new ATOM 0 H2' C A 19 1.905 5.598 -2.179 1.00 0.00 H new ATOM 0 HO2' C A 19 3.100 7.757 -2.803 1.00 0.00 H new ATOM 0 H1' C A 19 -0.116 7.402 -2.808 1.00 0.00 H new ATOM 0 H41 C A 19 -3.251 1.604 -2.558 1.00 0.00 H new ATOM 0 H42 C A 19 -3.450 2.351 -0.970 1.00 0.00 H new ATOM 0 H5 C A 19 -1.872 2.585 -4.289 1.00 0.00 H new ATOM 0 H6 C A 19 -0.413 4.439 -4.875 1.00 0.00 H new ATOM 376 P A A 20 4.914 5.281 -4.247 1.00 0.00 P ATOM 377 OP1 A A 20 6.135 5.868 -4.855 1.00 0.00 O ATOM 378 OP2 A A 20 4.372 4.004 -4.785 1.00 0.00 O ATOM 379 O5' A A 20 5.185 5.114 -2.685 1.00 0.00 O ATOM 380 C5' A A 20 4.545 4.089 -1.928 1.00 0.00 C ATOM 381 C4' A A 20 4.003 4.657 -0.636 1.00 0.00 C ATOM 382 O4' A A 20 2.580 4.363 -0.564 1.00 0.00 O ATOM 383 C3' A A 20 4.615 4.084 0.641 1.00 0.00 C ATOM 384 O3' A A 20 4.755 5.081 1.646 1.00 0.00 O ATOM 385 C2' A A 20 3.650 2.976 1.041 1.00 0.00 C ATOM 386 O2' A A 20 3.576 2.849 2.448 1.00 0.00 O ATOM 387 C1' A A 20 2.316 3.519 0.538 1.00 0.00 C ATOM 388 N9 A A 20 1.394 2.468 0.095 1.00 0.00 N ATOM 389 C8 A A 20 0.419 2.558 -0.867 1.00 0.00 C ATOM 390 N7 A A 20 -0.255 1.446 -1.043 1.00 0.00 N ATOM 391 C5 A A 20 0.318 0.562 -0.138 1.00 0.00 C ATOM 392 C6 A A 20 0.059 -0.787 0.165 1.00 0.00 C ATOM 393 N6 A A 20 -0.893 -1.511 -0.428 1.00 0.00 N ATOM 394 N1 A A 20 0.825 -1.374 1.113 1.00 0.00 N ATOM 395 C2 A A 20 1.778 -0.643 1.709 1.00 0.00 C ATOM 396 N3 A A 20 2.101 0.625 1.521 1.00 0.00 N ATOM 397 C4 A A 20 1.330 1.179 0.572 1.00 0.00 C ATOM 0 H5' A A 20 5.253 3.289 -1.713 1.00 0.00 H new ATOM 0 H5'' A A 20 3.734 3.650 -2.509 1.00 0.00 H new ATOM 0 H4' A A 20 4.247 5.719 -0.670 1.00 0.00 H new ATOM 0 H3' A A 20 5.628 3.707 0.497 1.00 0.00 H new ATOM 0 H2' A A 20 3.937 2.001 0.647 1.00 0.00 H new ATOM 0 HO2' A A 20 3.078 2.036 2.677 1.00 0.00 H new ATOM 0 H1' A A 20 1.839 4.043 1.367 1.00 0.00 H new ATOM 0 H8 A A 20 0.225 3.461 -1.427 1.00 0.00 H new ATOM 0 H61 A A 20 -1.031 -2.486 -0.163 1.00 0.00 H new ATOM 0 H62 A A 20 -1.482 -1.089 -1.146 1.00 0.00 H new ATOM 0 H2 A A 20 2.366 -1.165 2.449 1.00 0.00 H new ATOM 409 P C A 21 6.192 5.755 1.904 1.00 0.00 P ATOM 410 OP1 C A 21 6.052 6.639 3.089 1.00 0.00 O ATOM 411 OP2 C A 21 6.677 6.323 0.619 1.00 0.00 O ATOM 412 O5' C A 21 7.128 4.531 2.319 1.00 0.00 O ATOM 413 C5' C A 21 7.844 3.778 1.339 1.00 0.00 C ATOM 414 C4' C A 21 7.881 2.319 1.732 1.00 0.00 C ATOM 415 O4' C A 21 6.524 1.802 1.799 1.00 0.00 O ATOM 416 C3' C A 21 8.554 1.378 0.743 1.00 0.00 C ATOM 417 O3' C A 21 9.991 1.467 0.763 1.00 0.00 O ATOM 418 C2' C A 21 7.971 0.026 1.152 1.00 0.00 C ATOM 419 O2' C A 21 8.533 -0.507 2.336 1.00 0.00 O ATOM 420 C1' C A 21 6.531 0.419 1.478 1.00 0.00 C ATOM 421 N1 C A 21 5.604 0.175 0.357 1.00 0.00 N ATOM 422 C2 C A 21 4.871 -1.023 0.332 1.00 0.00 C ATOM 423 O2 C A 21 5.000 -1.833 1.266 1.00 0.00 O ATOM 424 N3 C A 21 4.041 -1.266 -0.707 1.00 0.00 N ATOM 425 C4 C A 21 3.923 -0.374 -1.691 1.00 0.00 C ATOM 426 N4 C A 21 3.103 -0.668 -2.704 1.00 0.00 N ATOM 427 C5 C A 21 4.641 0.859 -1.684 1.00 0.00 C ATOM 428 C6 C A 21 5.464 1.089 -0.652 1.00 0.00 C ATOM 0 H5' C A 21 8.859 4.163 1.243 1.00 0.00 H new ATOM 0 H5'' C A 21 7.368 3.889 0.365 1.00 0.00 H new ATOM 0 H4' C A 21 8.440 2.328 2.668 1.00 0.00 H new ATOM 0 H3' C A 21 8.358 1.608 -0.304 1.00 0.00 H new ATOM 0 H2' C A 21 8.132 -0.728 0.381 1.00 0.00 H new ATOM 0 HO2' C A 21 8.609 0.201 3.010 1.00 0.00 H new ATOM 0 H1' C A 21 6.187 -0.195 2.310 1.00 0.00 H new ATOM 0 H41 C A 21 2.988 -0.009 -3.474 1.00 0.00 H new ATOM 0 H42 C A 21 2.592 -1.551 -2.707 1.00 0.00 H new ATOM 0 H5 C A 21 4.525 1.579 -2.480 1.00 0.00 H new ATOM 0 H6 C A 21 6.026 2.011 -0.616 1.00 0.00 H new ATOM 440 P G A 22 10.840 1.053 2.075 1.00 0.00 P ATOM 441 OP1 G A 22 10.028 1.238 3.305 1.00 0.00 O ATOM 442 OP2 G A 22 12.148 1.746 1.957 1.00 0.00 O ATOM 443 O5' G A 22 11.115 -0.505 1.878 1.00 0.00 O ATOM 444 C5' G A 22 12.020 -1.201 2.732 1.00 0.00 C ATOM 445 C4' G A 22 11.978 -2.686 2.446 1.00 0.00 C ATOM 446 O4' G A 22 10.600 -3.096 2.236 1.00 0.00 O ATOM 447 C3' G A 22 12.694 -3.147 1.185 1.00 0.00 C ATOM 448 O3' G A 22 14.091 -3.321 1.400 1.00 0.00 O ATOM 449 C2' G A 22 11.992 -4.463 0.877 1.00 0.00 C ATOM 450 O2' G A 22 12.452 -5.508 1.715 1.00 0.00 O ATOM 451 C1' G A 22 10.552 -4.127 1.263 1.00 0.00 C ATOM 452 N9 G A 22 9.740 -3.671 0.138 1.00 0.00 N ATOM 453 C8 G A 22 9.454 -2.371 -0.205 1.00 0.00 C ATOM 454 N7 G A 22 8.702 -2.271 -1.266 1.00 0.00 N ATOM 455 C5 G A 22 8.474 -3.585 -1.650 1.00 0.00 C ATOM 456 C6 G A 22 7.723 -4.107 -2.735 1.00 0.00 C ATOM 457 O6 G A 22 7.091 -3.491 -3.602 1.00 0.00 O ATOM 458 N1 G A 22 7.754 -5.498 -2.757 1.00 0.00 N ATOM 459 C2 G A 22 8.421 -6.286 -1.852 1.00 0.00 C ATOM 460 N2 G A 22 8.333 -7.611 -2.042 1.00 0.00 N ATOM 461 N3 G A 22 9.123 -5.813 -0.835 1.00 0.00 N ATOM 462 C4 G A 22 9.107 -4.463 -0.795 1.00 0.00 C ATOM 0 H5' G A 22 11.760 -1.017 3.775 1.00 0.00 H new ATOM 0 H5'' G A 22 13.032 -0.824 2.584 1.00 0.00 H new ATOM 0 H4' G A 22 12.475 -3.124 3.312 1.00 0.00 H new ATOM 0 H3' G A 22 12.642 -2.428 0.367 1.00 0.00 H new ATOM 0 H2' G A 22 12.145 -4.802 -0.148 1.00 0.00 H new ATOM 0 HO2' G A 22 11.980 -6.338 1.492 1.00 0.00 H new ATOM 0 H1' G A 22 10.085 -5.038 1.638 1.00 0.00 H new ATOM 0 H8 G A 22 9.816 -1.517 0.349 1.00 0.00 H new ATOM 0 H1 G A 22 7.242 -5.968 -3.503 1.00 0.00 H new ATOM 0 H21 G A 22 8.806 -8.250 -1.404 1.00 0.00 H new ATOM 0 H22 G A 22 7.793 -7.979 -2.825 1.00 0.00 H new ATOM 474 P G A 23 15.093 -3.361 0.143 1.00 0.00 P ATOM 475 OP1 G A 23 16.474 -3.544 0.658 1.00 0.00 O ATOM 476 OP2 G A 23 14.781 -2.189 -0.716 1.00 0.00 O ATOM 477 O5' G A 23 14.668 -4.677 -0.650 1.00 0.00 O ATOM 478 C5' G A 23 15.015 -5.972 -0.164 1.00 0.00 C ATOM 479 C4' G A 23 14.635 -7.033 -1.174 1.00 0.00 C ATOM 480 O4' G A 23 13.200 -6.985 -1.389 1.00 0.00 O ATOM 481 C3' G A 23 15.232 -6.869 -2.565 1.00 0.00 C ATOM 482 O3' G A 23 16.546 -7.424 -2.658 1.00 0.00 O ATOM 483 C2' G A 23 14.228 -7.603 -3.448 1.00 0.00 C ATOM 484 O2' G A 23 14.430 -9.003 -3.405 1.00 0.00 O ATOM 485 C1' G A 23 12.908 -7.282 -2.743 1.00 0.00 C ATOM 486 N9 G A 23 12.190 -6.148 -3.321 1.00 0.00 N ATOM 487 C8 G A 23 12.163 -4.855 -2.854 1.00 0.00 C ATOM 488 N7 G A 23 11.431 -4.059 -3.583 1.00 0.00 N ATOM 489 C5 G A 23 10.941 -4.873 -4.596 1.00 0.00 C ATOM 490 C6 G A 23 10.087 -4.568 -5.687 1.00 0.00 C ATOM 491 O6 G A 23 9.577 -3.481 -5.987 1.00 0.00 O ATOM 492 N1 G A 23 9.840 -5.689 -6.473 1.00 0.00 N ATOM 493 C2 G A 23 10.350 -6.943 -6.241 1.00 0.00 C ATOM 494 N2 G A 23 9.995 -7.896 -7.115 1.00 0.00 N ATOM 495 N3 G A 23 11.147 -7.241 -5.228 1.00 0.00 N ATOM 496 C4 G A 23 11.400 -6.166 -4.450 1.00 0.00 C ATOM 0 H5' G A 23 14.506 -6.161 0.781 1.00 0.00 H new ATOM 0 H5'' G A 23 16.086 -6.018 0.036 1.00 0.00 H new ATOM 0 H4' G A 23 15.014 -7.958 -0.741 1.00 0.00 H new ATOM 0 H3' G A 23 15.372 -5.827 -2.853 1.00 0.00 H new ATOM 0 H2' G A 23 14.288 -7.311 -4.496 1.00 0.00 H new ATOM 0 HO2' G A 23 15.356 -9.192 -3.147 1.00 0.00 H new ATOM 0 HO3' G A 23 16.891 -7.299 -3.567 1.00 0.00 H new ATOM 0 H1' G A 23 12.261 -8.152 -2.855 1.00 0.00 H new ATOM 0 H8 G A 23 12.695 -4.531 -1.972 1.00 0.00 H new ATOM 0 H1 G A 23 9.233 -5.570 -7.284 1.00 0.00 H new ATOM 0 H21 G A 23 10.340 -8.849 -6.999 1.00 0.00 H new ATOM 0 H22 G A 23 9.380 -7.668 -7.896 1.00 0.00 H new TER 508 G A 23