USER MOD reduce.3.24.130724 H: found=0, std=0, add=133, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 133 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 -19:sc= 0.235 USER MOD Single : A 1 G O5' : rot 180:sc= -1.21 USER MOD Single : A 2 G O2' : rot -28:sc= 0.232 USER MOD Single : A 3 G O2' : rot -12:sc= 0.212 USER MOD Single : A 4 C O2' : rot -25:sc= 0.223 USER MOD Single : A 5 G O2' : rot -88:sc= 2.41! USER MOD Single : A 6 A O2' : rot -32:sc= 0.291 USER MOD Single : A 7 G O2' : rot -95:sc= 1.95 USER MOD Single : A 8 A O2' : rot -17:sc= 0.322 USER MOD Single : A 9 G O2' : rot -23:sc= -1.22 USER MOD Single : A 10 C O2' : rot -9:sc= -0.0392 USER MOD Single : A 11 C O2' : rot -146:sc= 0.334 USER MOD Single : A 12 U O2' : rot -24:sc= 0.13 USER MOD Single : A 12 U O3' : rot 180:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -8.317 2.096 -9.027 1.00 0.00 O ATOM 2 C5' G A 1 -9.536 2.832 -9.177 1.00 0.00 C ATOM 3 C4' G A 1 -10.627 2.319 -8.238 1.00 0.00 C ATOM 4 O4' G A 1 -10.901 0.926 -8.462 1.00 0.00 O ATOM 5 C3' G A 1 -10.194 2.422 -6.781 1.00 0.00 C ATOM 6 O3' G A 1 -10.631 3.680 -6.253 1.00 0.00 O ATOM 7 C2' G A 1 -11.002 1.311 -6.139 1.00 0.00 C ATOM 8 O2' G A 1 -12.362 1.706 -5.911 1.00 0.00 O ATOM 9 C1' G A 1 -10.903 0.231 -7.203 1.00 0.00 C ATOM 10 N9 G A 1 -9.670 -0.559 -7.029 1.00 0.00 N ATOM 11 C8 G A 1 -8.524 -0.536 -7.747 1.00 0.00 C ATOM 12 N7 G A 1 -7.567 -1.318 -7.377 1.00 0.00 N ATOM 13 C5 G A 1 -8.136 -1.953 -6.268 1.00 0.00 C ATOM 14 C6 G A 1 -7.589 -2.938 -5.403 1.00 0.00 C ATOM 15 O6 G A 1 -6.474 -3.452 -5.440 1.00 0.00 O ATOM 16 N1 G A 1 -8.491 -3.304 -4.415 1.00 0.00 N ATOM 17 C2 G A 1 -9.762 -2.792 -4.272 1.00 0.00 C ATOM 18 N2 G A 1 -10.479 -3.270 -3.261 1.00 0.00 N ATOM 19 N3 G A 1 -10.285 -1.867 -5.078 1.00 0.00 N ATOM 20 C4 G A 1 -9.425 -1.493 -6.050 1.00 0.00 C ATOM 0 H5' G A 1 -9.880 2.759 -10.209 1.00 0.00 H new ATOM 0 H5'' G A 1 -9.351 3.887 -8.977 1.00 0.00 H new ATOM 0 H4' G A 1 -11.504 2.934 -8.440 1.00 0.00 H new ATOM 0 H3' G A 1 -9.118 2.347 -6.623 1.00 0.00 H new ATOM 0 H2' G A 1 -10.645 1.008 -5.155 1.00 0.00 H new ATOM 0 HO2' G A 1 -12.427 2.684 -5.935 1.00 0.00 H new ATOM 0 HO5' G A 1 -7.643 2.450 -9.644 1.00 0.00 H new ATOM 0 H1' G A 1 -11.731 -0.475 -7.142 1.00 0.00 H new ATOM 0 H8 G A 1 -8.414 0.115 -8.601 1.00 0.00 H new ATOM 0 H1 G A 1 -8.190 -4.008 -3.741 1.00 0.00 H new ATOM 0 H21 G A 1 -11.428 -2.930 -3.103 1.00 0.00 H new ATOM 0 H22 G A 1 -10.081 -3.977 -2.643 1.00 0.00 H new ATOM 33 P G A 2 -9.738 4.469 -5.166 1.00 0.00 P ATOM 34 OP1 G A 2 -10.401 5.761 -4.874 1.00 0.00 O ATOM 35 OP2 G A 2 -8.330 4.448 -5.620 1.00 0.00 O ATOM 36 O5' G A 2 -9.863 3.530 -3.861 1.00 0.00 O ATOM 37 C5' G A 2 -11.093 3.456 -3.128 1.00 0.00 C ATOM 38 C4' G A 2 -11.166 2.194 -2.271 1.00 0.00 C ATOM 39 O4' G A 2 -10.912 1.019 -3.054 1.00 0.00 O ATOM 40 C3' G A 2 -10.100 2.186 -1.185 1.00 0.00 C ATOM 41 O3' G A 2 -10.621 2.834 -0.016 1.00 0.00 O ATOM 42 C2' G A 2 -9.967 0.702 -0.905 1.00 0.00 C ATOM 43 O2' G A 2 -11.020 0.226 -0.058 1.00 0.00 O ATOM 44 C1' G A 2 -10.070 0.120 -2.309 1.00 0.00 C ATOM 45 N9 G A 2 -8.733 -0.004 -2.924 1.00 0.00 N ATOM 46 C8 G A 2 -8.173 0.699 -3.940 1.00 0.00 C ATOM 47 N7 G A 2 -6.970 0.388 -4.291 1.00 0.00 N ATOM 48 C5 G A 2 -6.676 -0.654 -3.404 1.00 0.00 C ATOM 49 C6 G A 2 -5.496 -1.435 -3.270 1.00 0.00 C ATOM 50 O6 G A 2 -4.455 -1.370 -3.921 1.00 0.00 O ATOM 51 N1 G A 2 -5.619 -2.371 -2.256 1.00 0.00 N ATOM 52 C2 G A 2 -6.735 -2.542 -1.465 1.00 0.00 C ATOM 53 N2 G A 2 -6.656 -3.485 -0.535 1.00 0.00 N ATOM 54 N3 G A 2 -7.847 -1.818 -1.583 1.00 0.00 N ATOM 55 C4 G A 2 -7.752 -0.897 -2.565 1.00 0.00 C ATOM 0 H5' G A 2 -11.932 3.473 -3.823 1.00 0.00 H new ATOM 0 H5'' G A 2 -11.190 4.335 -2.490 1.00 0.00 H new ATOM 0 H4' G A 2 -12.169 2.192 -1.845 1.00 0.00 H new ATOM 0 H3' G A 2 -9.169 2.684 -1.458 1.00 0.00 H new ATOM 0 H2' G A 2 -9.053 0.430 -0.376 1.00 0.00 H new ATOM 0 HO2' G A 2 -11.332 0.955 0.517 1.00 0.00 H new ATOM 0 H1' G A 2 -10.492 -0.885 -2.296 1.00 0.00 H new ATOM 0 H8 G A 2 -8.714 1.490 -4.437 1.00 0.00 H new ATOM 0 H1 G A 2 -4.821 -2.982 -2.081 1.00 0.00 H new ATOM 0 H21 G A 2 -7.449 -3.660 0.082 1.00 0.00 H new ATOM 0 H22 G A 2 -5.802 -4.035 -0.437 1.00 0.00 H new ATOM 67 P G A 3 -9.642 3.274 1.190 1.00 0.00 P ATOM 68 OP1 G A 3 -10.420 4.107 2.136 1.00 0.00 O ATOM 69 OP2 G A 3 -8.390 3.802 0.603 1.00 0.00 O ATOM 70 O5' G A 3 -9.304 1.869 1.909 1.00 0.00 O ATOM 71 C5' G A 3 -10.079 1.404 3.024 1.00 0.00 C ATOM 72 C4' G A 3 -9.327 0.353 3.841 1.00 0.00 C ATOM 73 O4' G A 3 -8.979 -0.787 3.039 1.00 0.00 O ATOM 74 C3' G A 3 -8.006 0.901 4.367 1.00 0.00 C ATOM 75 O3' G A 3 -8.221 1.453 5.672 1.00 0.00 O ATOM 76 C2' G A 3 -7.172 -0.359 4.500 1.00 0.00 C ATOM 77 O2' G A 3 -7.483 -1.079 5.700 1.00 0.00 O ATOM 78 C1' G A 3 -7.598 -1.127 3.258 1.00 0.00 C ATOM 79 N9 G A 3 -6.770 -0.755 2.097 1.00 0.00 N ATOM 80 C8 G A 3 -7.012 0.152 1.122 1.00 0.00 C ATOM 81 N7 G A 3 -6.124 0.289 0.196 1.00 0.00 N ATOM 82 C5 G A 3 -5.158 -0.641 0.591 1.00 0.00 C ATOM 83 C6 G A 3 -3.919 -0.977 -0.014 1.00 0.00 C ATOM 84 O6 G A 3 -3.426 -0.522 -1.039 1.00 0.00 O ATOM 85 N1 G A 3 -3.250 -1.956 0.703 1.00 0.00 N ATOM 86 C2 G A 3 -3.710 -2.546 1.860 1.00 0.00 C ATOM 87 N2 G A 3 -2.920 -3.463 2.407 1.00 0.00 N ATOM 88 N3 G A 3 -4.875 -2.240 2.437 1.00 0.00 N ATOM 89 C4 G A 3 -5.546 -1.284 1.755 1.00 0.00 C ATOM 0 H5' G A 3 -11.017 0.981 2.663 1.00 0.00 H new ATOM 0 H5'' G A 3 -10.335 2.247 3.665 1.00 0.00 H new ATOM 0 H4' G A 3 -9.999 0.077 4.654 1.00 0.00 H new ATOM 0 H3' G A 3 -7.558 1.673 3.741 1.00 0.00 H new ATOM 0 H2' G A 3 -6.099 -0.178 4.569 1.00 0.00 H new ATOM 0 HO2' G A 3 -8.032 -0.517 6.286 1.00 0.00 H new ATOM 0 H1' G A 3 -7.471 -2.201 3.392 1.00 0.00 H new ATOM 0 H8 G A 3 -7.917 0.741 1.119 1.00 0.00 H new ATOM 0 H1 G A 3 -2.346 -2.264 0.346 1.00 0.00 H new ATOM 0 H21 G A 3 -3.205 -3.936 3.265 1.00 0.00 H new ATOM 0 H22 G A 3 -2.028 -3.694 1.969 1.00 0.00 H new ATOM 101 P C A 4 -7.088 2.357 6.377 1.00 0.00 P ATOM 102 OP1 C A 4 -7.550 2.692 7.743 1.00 0.00 O ATOM 103 OP2 C A 4 -6.707 3.438 5.440 1.00 0.00 O ATOM 104 O5' C A 4 -5.850 1.331 6.501 1.00 0.00 O ATOM 105 C5' C A 4 -4.503 1.795 6.362 1.00 0.00 C ATOM 106 C4' C A 4 -3.498 0.647 6.442 1.00 0.00 C ATOM 107 O4' C A 4 -3.679 -0.293 5.368 1.00 0.00 O ATOM 108 C3' C A 4 -2.070 1.158 6.293 1.00 0.00 C ATOM 109 O3' C A 4 -1.545 1.455 7.593 1.00 0.00 O ATOM 110 C2' C A 4 -1.364 -0.061 5.740 1.00 0.00 C ATOM 111 O2' C A 4 -1.097 -1.029 6.764 1.00 0.00 O ATOM 112 C1' C A 4 -2.406 -0.564 4.750 1.00 0.00 C ATOM 113 N1 C A 4 -2.285 0.133 3.448 1.00 0.00 N ATOM 114 C2 C A 4 -1.125 -0.067 2.707 1.00 0.00 C ATOM 115 O2 C A 4 -0.238 -0.809 3.126 1.00 0.00 O ATOM 116 N3 C A 4 -1.001 0.579 1.516 1.00 0.00 N ATOM 117 C4 C A 4 -1.971 1.386 1.068 1.00 0.00 C ATOM 118 N4 C A 4 -1.818 2.001 -0.101 1.00 0.00 N ATOM 119 C5 C A 4 -3.166 1.593 1.823 1.00 0.00 C ATOM 120 C6 C A 4 -3.282 0.951 2.999 1.00 0.00 C ATOM 0 H5' C A 4 -4.287 2.523 7.144 1.00 0.00 H new ATOM 0 H5'' C A 4 -4.392 2.310 5.408 1.00 0.00 H new ATOM 0 H4' C A 4 -3.664 0.178 7.412 1.00 0.00 H new ATOM 0 H3' C A 4 -1.970 2.053 5.680 1.00 0.00 H new ATOM 0 H2' C A 4 -0.386 0.142 5.305 1.00 0.00 H new ATOM 0 HO2' C A 4 -1.045 -0.580 7.633 1.00 0.00 H new ATOM 0 H1' C A 4 -2.280 -1.625 4.535 1.00 0.00 H new ATOM 0 H41 C A 4 -2.550 2.618 -0.452 1.00 0.00 H new ATOM 0 H42 C A 4 -0.968 1.856 -0.646 1.00 0.00 H new ATOM 0 H5 C A 4 -3.949 2.243 1.462 1.00 0.00 H new ATOM 0 H6 C A 4 -4.173 1.084 3.595 1.00 0.00 H new ATOM 132 P G A 5 -0.568 2.719 7.811 1.00 0.00 P ATOM 133 OP1 G A 5 -0.323 2.870 9.263 1.00 0.00 O ATOM 134 OP2 G A 5 -1.101 3.858 7.030 1.00 0.00 O ATOM 135 O5' G A 5 0.799 2.227 7.114 1.00 0.00 O ATOM 136 C5' G A 5 1.657 1.288 7.771 1.00 0.00 C ATOM 137 C4' G A 5 2.870 0.936 6.913 1.00 0.00 C ATOM 138 O4' G A 5 2.477 0.336 5.667 1.00 0.00 O ATOM 139 C3' G A 5 3.655 2.183 6.529 1.00 0.00 C ATOM 140 O3' G A 5 4.655 2.433 7.525 1.00 0.00 O ATOM 141 C2' G A 5 4.338 1.731 5.258 1.00 0.00 C ATOM 142 O2' G A 5 5.477 0.902 5.530 1.00 0.00 O ATOM 143 C1' G A 5 3.220 0.939 4.593 1.00 0.00 C ATOM 144 N9 G A 5 2.360 1.816 3.776 1.00 0.00 N ATOM 145 C8 G A 5 1.100 2.256 4.015 1.00 0.00 C ATOM 146 N7 G A 5 0.557 3.027 3.133 1.00 0.00 N ATOM 147 C5 G A 5 1.574 3.125 2.178 1.00 0.00 C ATOM 148 C6 G A 5 1.607 3.840 0.950 1.00 0.00 C ATOM 149 O6 G A 5 0.729 4.537 0.448 1.00 0.00 O ATOM 150 N1 G A 5 2.818 3.673 0.296 1.00 0.00 N ATOM 151 C2 G A 5 3.871 2.913 0.757 1.00 0.00 C ATOM 152 N2 G A 5 4.945 2.870 -0.018 1.00 0.00 N ATOM 153 N3 G A 5 3.853 2.236 1.906 1.00 0.00 N ATOM 154 C4 G A 5 2.681 2.385 2.565 1.00 0.00 C ATOM 0 H5' G A 5 1.097 0.381 7.999 1.00 0.00 H new ATOM 0 H5'' G A 5 1.992 1.704 8.721 1.00 0.00 H new ATOM 0 H4' G A 5 3.468 0.252 7.516 1.00 0.00 H new ATOM 0 H3' G A 5 3.050 3.084 6.427 1.00 0.00 H new ATOM 0 H2' G A 5 4.737 2.545 4.653 1.00 0.00 H new ATOM 0 HO2' G A 5 6.271 1.465 5.648 1.00 0.00 H new ATOM 0 H1' G A 5 3.616 0.186 3.911 1.00 0.00 H new ATOM 0 H8 G A 5 0.569 1.972 4.912 1.00 0.00 H new ATOM 0 H1 G A 5 2.939 4.151 -0.597 1.00 0.00 H new ATOM 0 H21 G A 5 5.758 2.325 0.267 1.00 0.00 H new ATOM 0 H22 G A 5 4.958 3.382 -0.900 1.00 0.00 H new ATOM 166 P A A 6 4.619 3.779 8.412 1.00 0.00 P ATOM 167 OP1 A A 6 5.806 3.780 9.295 1.00 0.00 O ATOM 168 OP2 A A 6 3.265 3.913 8.996 1.00 0.00 O ATOM 169 O5' A A 6 4.815 4.940 7.309 1.00 0.00 O ATOM 170 C5' A A 6 3.948 6.084 7.280 1.00 0.00 C ATOM 171 C4' A A 6 4.617 7.285 6.611 1.00 0.00 C ATOM 172 O4' A A 6 5.821 7.653 7.292 1.00 0.00 O ATOM 173 C3' A A 6 5.037 6.957 5.187 1.00 0.00 C ATOM 174 O3' A A 6 3.978 7.327 4.295 1.00 0.00 O ATOM 175 C2' A A 6 6.199 7.903 4.961 1.00 0.00 C ATOM 176 O2' A A 6 5.751 9.201 4.554 1.00 0.00 O ATOM 177 C1' A A 6 6.854 7.940 6.334 1.00 0.00 C ATOM 178 N9 A A 6 7.950 6.958 6.417 1.00 0.00 N ATOM 179 C8 A A 6 8.054 5.840 7.171 1.00 0.00 C ATOM 180 N7 A A 6 9.151 5.163 7.089 1.00 0.00 N ATOM 181 C5 A A 6 9.876 5.918 6.158 1.00 0.00 C ATOM 182 C6 A A 6 11.149 5.768 5.596 1.00 0.00 C ATOM 183 N6 A A 6 11.979 4.781 5.921 1.00 0.00 N ATOM 184 N1 A A 6 11.546 6.689 4.705 1.00 0.00 N ATOM 185 C2 A A 6 10.743 7.704 4.382 1.00 0.00 C ATOM 186 N3 A A 6 9.525 7.946 4.853 1.00 0.00 N ATOM 187 C4 A A 6 9.149 7.008 5.743 1.00 0.00 C ATOM 0 H5' A A 6 3.660 6.348 8.298 1.00 0.00 H new ATOM 0 H5'' A A 6 3.032 5.833 6.745 1.00 0.00 H new ATOM 0 H4' A A 6 3.882 8.090 6.636 1.00 0.00 H new ATOM 0 H3' A A 6 5.275 5.905 5.029 1.00 0.00 H new ATOM 0 H2' A A 6 6.872 7.585 4.165 1.00 0.00 H new ATOM 0 HO2' A A 6 4.931 9.113 4.025 1.00 0.00 H new ATOM 0 H1' A A 6 7.298 8.916 6.531 1.00 0.00 H new ATOM 0 H8 A A 6 7.249 5.525 7.818 1.00 0.00 H new ATOM 0 H61 A A 6 12.896 4.720 5.479 1.00 0.00 H new ATOM 0 H62 A A 6 11.698 4.085 6.612 1.00 0.00 H new ATOM 0 H2 A A 6 11.126 8.407 3.657 1.00 0.00 H new ATOM 199 P G A 7 3.666 6.446 2.983 1.00 0.00 P ATOM 200 OP1 G A 7 2.890 7.279 2.037 1.00 0.00 O ATOM 201 OP2 G A 7 3.133 5.139 3.424 1.00 0.00 O ATOM 202 O5' G A 7 5.136 6.205 2.357 1.00 0.00 O ATOM 203 C5' G A 7 5.816 7.241 1.634 1.00 0.00 C ATOM 204 C4' G A 7 7.161 6.764 1.083 1.00 0.00 C ATOM 205 O4' G A 7 8.076 6.451 2.141 1.00 0.00 O ATOM 206 C3' G A 7 6.985 5.508 0.232 1.00 0.00 C ATOM 207 O3' G A 7 7.342 5.842 -1.119 1.00 0.00 O ATOM 208 C2' G A 7 8.004 4.501 0.770 1.00 0.00 C ATOM 209 O2' G A 7 9.123 4.365 -0.116 1.00 0.00 O ATOM 210 C1' G A 7 8.447 5.070 2.114 1.00 0.00 C ATOM 211 N9 G A 7 7.857 4.340 3.256 1.00 0.00 N ATOM 212 C8 G A 7 6.575 4.296 3.696 1.00 0.00 C ATOM 213 N7 G A 7 6.330 3.612 4.761 1.00 0.00 N ATOM 214 C5 G A 7 7.598 3.127 5.087 1.00 0.00 C ATOM 215 C6 G A 7 8.006 2.298 6.166 1.00 0.00 C ATOM 216 O6 G A 7 7.317 1.813 7.059 1.00 0.00 O ATOM 217 N1 G A 7 9.368 2.047 6.128 1.00 0.00 N ATOM 218 C2 G A 7 10.236 2.527 5.174 1.00 0.00 C ATOM 219 N2 G A 7 11.508 2.162 5.300 1.00 0.00 N ATOM 220 N3 G A 7 9.865 3.307 4.156 1.00 0.00 N ATOM 221 C4 G A 7 8.539 3.568 4.171 1.00 0.00 C ATOM 0 H5' G A 7 5.975 8.097 2.290 1.00 0.00 H new ATOM 0 H5'' G A 7 5.187 7.582 0.812 1.00 0.00 H new ATOM 0 H4' G A 7 7.559 7.579 0.478 1.00 0.00 H new ATOM 0 H3' G A 7 5.968 5.116 0.263 1.00 0.00 H new ATOM 0 H2' G A 7 7.573 3.504 0.864 1.00 0.00 H new ATOM 0 HO2' G A 7 8.978 3.599 -0.710 1.00 0.00 H new ATOM 0 H1' G A 7 9.526 4.958 2.216 1.00 0.00 H new ATOM 0 H8 G A 7 5.786 4.816 3.172 1.00 0.00 H new ATOM 0 H1 G A 7 9.758 1.460 6.865 1.00 0.00 H new ATOM 0 H21 G A 7 12.201 2.485 4.624 1.00 0.00 H new ATOM 0 H22 G A 7 11.791 1.559 6.072 1.00 0.00 H new ATOM 233 P A A 8 6.910 4.894 -2.352 1.00 0.00 P ATOM 234 OP1 A A 8 6.996 5.688 -3.599 1.00 0.00 O ATOM 235 OP2 A A 8 5.641 4.217 -1.996 1.00 0.00 O ATOM 236 O5' A A 8 8.083 3.784 -2.374 1.00 0.00 O ATOM 237 C5' A A 8 9.255 3.965 -3.183 1.00 0.00 C ATOM 238 C4' A A 8 10.299 2.877 -2.921 1.00 0.00 C ATOM 239 O4' A A 8 10.677 2.851 -1.536 1.00 0.00 O ATOM 240 C3' A A 8 9.745 1.490 -3.242 1.00 0.00 C ATOM 241 O3' A A 8 10.210 1.101 -4.542 1.00 0.00 O ATOM 242 C2' A A 8 10.413 0.606 -2.201 1.00 0.00 C ATOM 243 O2' A A 8 11.722 0.196 -2.614 1.00 0.00 O ATOM 244 C1' A A 8 10.472 1.538 -1.001 1.00 0.00 C ATOM 245 N9 A A 8 9.228 1.471 -0.207 1.00 0.00 N ATOM 246 C8 A A 8 7.949 1.717 -0.576 1.00 0.00 C ATOM 247 N7 A A 8 7.031 1.567 0.316 1.00 0.00 N ATOM 248 C5 A A 8 7.779 1.179 1.428 1.00 0.00 C ATOM 249 C6 A A 8 7.426 0.857 2.740 1.00 0.00 C ATOM 250 N6 A A 8 6.169 0.877 3.183 1.00 0.00 N ATOM 251 N1 A A 8 8.418 0.520 3.581 1.00 0.00 N ATOM 252 C2 A A 8 9.683 0.503 3.156 1.00 0.00 C ATOM 253 N3 A A 8 10.128 0.787 1.939 1.00 0.00 N ATOM 254 C4 A A 8 9.117 1.120 1.117 1.00 0.00 C ATOM 0 H5' A A 8 9.690 4.943 -2.979 1.00 0.00 H new ATOM 0 H5'' A A 8 8.975 3.954 -4.236 1.00 0.00 H new ATOM 0 H4' A A 8 11.152 3.112 -3.558 1.00 0.00 H new ATOM 0 H3' A A 8 8.656 1.437 -3.231 1.00 0.00 H new ATOM 0 H2' A A 8 9.885 -0.329 -2.012 1.00 0.00 H new ATOM 0 HO2' A A 8 11.818 0.333 -3.580 1.00 0.00 H new ATOM 0 H1' A A 8 11.275 1.257 -0.320 1.00 0.00 H new ATOM 0 H8 A A 8 7.707 2.028 -1.582 1.00 0.00 H new ATOM 0 H61 A A 8 5.966 0.633 4.152 1.00 0.00 H new ATOM 0 H62 A A 8 5.410 1.137 2.553 1.00 0.00 H new ATOM 0 H2 A A 8 10.429 0.227 3.886 1.00 0.00 H new ATOM 266 P G A 9 9.619 -0.214 -5.261 1.00 0.00 P ATOM 267 OP1 G A 9 9.962 -1.390 -4.427 1.00 0.00 O ATOM 268 OP2 G A 9 10.016 -0.181 -6.687 1.00 0.00 O ATOM 269 O5' G A 9 8.027 0.034 -5.174 1.00 0.00 O ATOM 270 C5' G A 9 7.117 -1.032 -4.866 1.00 0.00 C ATOM 271 C4' G A 9 7.259 -1.509 -3.418 1.00 0.00 C ATOM 272 O4' G A 9 7.136 -0.418 -2.493 1.00 0.00 O ATOM 273 C3' G A 9 6.145 -2.484 -3.056 1.00 0.00 C ATOM 274 O3' G A 9 6.600 -3.823 -3.290 1.00 0.00 O ATOM 275 C2' G A 9 6.005 -2.270 -1.562 1.00 0.00 C ATOM 276 O2' G A 9 7.010 -2.979 -0.823 1.00 0.00 O ATOM 277 C1' G A 9 6.195 -0.764 -1.461 1.00 0.00 C ATOM 278 N9 G A 9 4.919 -0.050 -1.650 1.00 0.00 N ATOM 279 C8 G A 9 4.523 0.759 -2.663 1.00 0.00 C ATOM 280 N7 G A 9 3.339 1.268 -2.595 1.00 0.00 N ATOM 281 C5 G A 9 2.872 0.741 -1.387 1.00 0.00 C ATOM 282 C6 G A 9 1.623 0.922 -0.737 1.00 0.00 C ATOM 283 O6 G A 9 0.664 1.592 -1.105 1.00 0.00 O ATOM 284 N1 G A 9 1.562 0.219 0.456 1.00 0.00 N ATOM 285 C2 G A 9 2.571 -0.568 0.967 1.00 0.00 C ATOM 286 N2 G A 9 2.317 -1.171 2.123 1.00 0.00 N ATOM 287 N3 G A 9 3.749 -0.746 0.364 1.00 0.00 N ATOM 288 C4 G A 9 3.834 -0.067 -0.802 1.00 0.00 C ATOM 0 H5' G A 9 7.296 -1.868 -5.542 1.00 0.00 H new ATOM 0 H5'' G A 9 6.094 -0.696 -5.038 1.00 0.00 H new ATOM 0 H4' G A 9 8.242 -1.976 -3.349 1.00 0.00 H new ATOM 0 H3' G A 9 5.224 -2.336 -3.620 1.00 0.00 H new ATOM 0 H2' G A 9 5.065 -2.633 -1.148 1.00 0.00 H new ATOM 0 HO2' G A 9 7.344 -3.727 -1.360 1.00 0.00 H new ATOM 0 H1' G A 9 6.559 -0.477 -0.474 1.00 0.00 H new ATOM 0 H8 G A 9 5.175 0.970 -3.497 1.00 0.00 H new ATOM 0 H1 G A 9 0.701 0.290 0.999 1.00 0.00 H new ATOM 0 H21 G A 9 3.024 -1.767 2.553 1.00 0.00 H new ATOM 0 H22 G A 9 1.415 -1.038 2.580 1.00 0.00 H new ATOM 300 P C A 10 5.542 -5.020 -3.508 1.00 0.00 P ATOM 301 OP1 C A 10 6.284 -6.302 -3.503 1.00 0.00 O ATOM 302 OP2 C A 10 4.679 -4.673 -4.659 1.00 0.00 O ATOM 303 O5' C A 10 4.641 -4.951 -2.169 1.00 0.00 O ATOM 304 C5' C A 10 5.134 -5.468 -0.927 1.00 0.00 C ATOM 305 C4' C A 10 4.058 -5.456 0.160 1.00 0.00 C ATOM 306 O4' C A 10 3.546 -4.142 0.394 1.00 0.00 O ATOM 307 C3' C A 10 2.844 -6.266 -0.246 1.00 0.00 C ATOM 308 O3' C A 10 3.082 -7.648 0.059 1.00 0.00 O ATOM 309 C2' C A 10 1.792 -5.727 0.706 1.00 0.00 C ATOM 310 O2' C A 10 1.886 -6.350 1.994 1.00 0.00 O ATOM 311 C1' C A 10 2.159 -4.241 0.779 1.00 0.00 C ATOM 312 N1 C A 10 1.291 -3.430 -0.108 1.00 0.00 N ATOM 313 C2 C A 10 -0.004 -3.168 0.324 1.00 0.00 C ATOM 314 O2 C A 10 -0.402 -3.612 1.399 1.00 0.00 O ATOM 315 N3 C A 10 -0.812 -2.418 -0.473 1.00 0.00 N ATOM 316 C4 C A 10 -0.372 -1.944 -1.643 1.00 0.00 C ATOM 317 N4 C A 10 -1.190 -1.215 -2.397 1.00 0.00 N ATOM 318 C5 C A 10 0.956 -2.209 -2.095 1.00 0.00 C ATOM 319 C6 C A 10 1.751 -2.953 -1.302 1.00 0.00 C ATOM 0 H5' C A 10 5.988 -4.875 -0.600 1.00 0.00 H new ATOM 0 H5'' C A 10 5.491 -6.487 -1.074 1.00 0.00 H new ATOM 0 H4' C A 10 4.552 -5.864 1.042 1.00 0.00 H new ATOM 0 H3' C A 10 2.583 -6.196 -1.302 1.00 0.00 H new ATOM 0 H2' C A 10 0.769 -5.912 0.379 1.00 0.00 H new ATOM 0 HO2' C A 10 2.515 -7.100 1.949 1.00 0.00 H new ATOM 0 H1' C A 10 2.009 -3.851 1.786 1.00 0.00 H new ATOM 0 H41 C A 10 -0.867 -0.847 -3.292 1.00 0.00 H new ATOM 0 H42 C A 10 -2.141 -1.024 -2.080 1.00 0.00 H new ATOM 0 H5 C A 10 1.311 -1.826 -3.040 1.00 0.00 H new ATOM 0 H6 C A 10 2.761 -3.174 -1.613 1.00 0.00 H new ATOM 331 P C A 11 2.421 -8.815 -0.837 1.00 0.00 P ATOM 332 OP1 C A 11 2.889 -10.119 -0.317 1.00 0.00 O ATOM 333 OP2 C A 11 2.619 -8.475 -2.264 1.00 0.00 O ATOM 334 O5' C A 11 0.851 -8.671 -0.501 1.00 0.00 O ATOM 335 C5' C A 11 0.355 -8.958 0.812 1.00 0.00 C ATOM 336 C4' C A 11 -1.027 -8.348 1.038 1.00 0.00 C ATOM 337 O4' C A 11 -1.035 -6.952 0.765 1.00 0.00 O ATOM 338 C3' C A 11 -2.053 -8.924 0.081 1.00 0.00 C ATOM 339 O3' C A 11 -2.582 -10.131 0.646 1.00 0.00 O ATOM 340 C2' C A 11 -3.141 -7.856 0.089 1.00 0.00 C ATOM 341 O2' C A 11 -4.122 -8.106 1.103 1.00 0.00 O ATOM 342 C1' C A 11 -2.362 -6.564 0.375 1.00 0.00 C ATOM 343 N1 C A 11 -2.342 -5.687 -0.817 1.00 0.00 N ATOM 344 C2 C A 11 -3.415 -4.827 -0.988 1.00 0.00 C ATOM 345 O2 C A 11 -4.322 -4.801 -0.162 1.00 0.00 O ATOM 346 N3 C A 11 -3.433 -4.022 -2.084 1.00 0.00 N ATOM 347 C4 C A 11 -2.441 -4.058 -2.978 1.00 0.00 C ATOM 348 N4 C A 11 -2.496 -3.259 -4.041 1.00 0.00 N ATOM 349 C5 C A 11 -1.329 -4.942 -2.810 1.00 0.00 C ATOM 350 C6 C A 11 -1.318 -5.735 -1.720 1.00 0.00 C ATOM 0 H5' C A 11 1.050 -8.571 1.557 1.00 0.00 H new ATOM 0 H5'' C A 11 0.304 -10.037 0.954 1.00 0.00 H new ATOM 0 H4' C A 11 -1.266 -8.565 2.079 1.00 0.00 H new ATOM 0 H3' C A 11 -1.662 -9.153 -0.910 1.00 0.00 H new ATOM 0 H2' C A 11 -3.704 -7.821 -0.844 1.00 0.00 H new ATOM 0 HO2' C A 11 -5.001 -7.806 0.789 1.00 0.00 H new ATOM 0 H1' C A 11 -2.837 -5.991 1.171 1.00 0.00 H new ATOM 0 H41 C A 11 -1.745 -3.276 -4.731 1.00 0.00 H new ATOM 0 H42 C A 11 -3.289 -2.629 -4.165 1.00 0.00 H new ATOM 0 H5 C A 11 -0.526 -4.973 -3.532 1.00 0.00 H new ATOM 0 H6 C A 11 -0.493 -6.414 -1.559 1.00 0.00 H new ATOM 362 P U A 12 -3.337 -11.214 -0.281 1.00 0.00 P ATOM 363 OP1 U A 12 -3.643 -12.401 0.547 1.00 0.00 O ATOM 364 OP2 U A 12 -2.563 -11.369 -1.534 1.00 0.00 O ATOM 365 O5' U A 12 -4.723 -10.473 -0.638 1.00 0.00 O ATOM 366 C5' U A 12 -5.768 -10.367 0.337 1.00 0.00 C ATOM 367 C4' U A 12 -6.833 -9.359 -0.086 1.00 0.00 C ATOM 368 O4' U A 12 -6.280 -8.057 -0.292 1.00 0.00 O ATOM 369 C3' U A 12 -7.453 -9.735 -1.419 1.00 0.00 C ATOM 370 O3' U A 12 -8.455 -10.750 -1.279 1.00 0.00 O ATOM 371 C2' U A 12 -8.049 -8.408 -1.840 1.00 0.00 C ATOM 372 O2' U A 12 -9.302 -8.166 -1.188 1.00 0.00 O ATOM 373 C1' U A 12 -6.978 -7.418 -1.376 1.00 0.00 C ATOM 374 N1 U A 12 -6.056 -7.073 -2.481 1.00 0.00 N ATOM 375 C2 U A 12 -6.282 -5.887 -3.156 1.00 0.00 C ATOM 376 O2 U A 12 -7.217 -5.138 -2.875 1.00 0.00 O ATOM 377 N3 U A 12 -5.401 -5.590 -4.174 1.00 0.00 N ATOM 378 C4 U A 12 -4.327 -6.360 -4.575 1.00 0.00 C ATOM 379 O4 U A 12 -3.604 -5.990 -5.496 1.00 0.00 O ATOM 380 C5 U A 12 -4.163 -7.580 -3.820 1.00 0.00 C ATOM 381 C6 U A 12 -5.014 -7.896 -2.816 1.00 0.00 C ATOM 0 H5' U A 12 -5.343 -10.067 1.295 1.00 0.00 H new ATOM 0 H5'' U A 12 -6.229 -11.344 0.484 1.00 0.00 H new ATOM 0 H4' U A 12 -7.565 -9.362 0.721 1.00 0.00 H new ATOM 0 H3' U A 12 -6.751 -10.162 -2.135 1.00 0.00 H new ATOM 0 H2' U A 12 -8.274 -8.346 -2.905 1.00 0.00 H new ATOM 0 HO2' U A 12 -9.702 -9.020 -0.921 1.00 0.00 H new ATOM 0 HO3' U A 12 -8.831 -10.962 -2.159 1.00 0.00 H new ATOM 0 H1' U A 12 -7.425 -6.479 -1.051 1.00 0.00 H new ATOM 0 H3 U A 12 -5.557 -4.718 -4.679 1.00 0.00 H new ATOM 0 H5 U A 12 -3.350 -8.249 -4.060 1.00 0.00 H new ATOM 0 H6 U A 12 -4.868 -8.815 -2.268 1.00 0.00 H new TER 393 U A 12