USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 136 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 C O2' : rot 25:sc= 0.237 USER MOD Single : A 1 C O5' : rot 48:sc= -0.307! USER MOD Single : A 2 G O2' : rot -25:sc= 0.203 USER MOD Single : A 3 C O2' : rot 133:sc= 0.759 USER MOD Single : A 4 G O2' : rot -10:sc= 0.282 USER MOD Single : A 5 C O2' : rot 26:sc= 0.186 USER MOD Single : A 6 G O2' : rot -21:sc= 0.155 USER MOD Single : A 6 G O3' : rot 180:sc= 0.167 USER MOD Single : B 7 C O2' : rot 18:sc= 0.248 USER MOD Single : B 7 C O5' : rot 50:sc= 0.0592 USER MOD Single : B 8 G O2' : rot -13:sc= 0.242 USER MOD Single : B 9 C O2' : rot 133:sc= 0.535 USER MOD Single : B 10 G O2' : rot -17:sc= 0.224 USER MOD Single : B 11 C O2' : rot 25:sc= 0.133 USER MOD Single : B 12 G O2' : rot -21:sc= 0.131 USER MOD Single : B 12 G O3' : rot 180:sc= 0.127 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 1 21.217 -3.709 6.686 1.00 0.00 O ATOM 2 C5' C A 1 20.025 -3.199 7.290 1.00 0.00 C ATOM 3 C4' C A 1 18.794 -3.836 6.689 1.00 0.00 C ATOM 4 O4' C A 1 18.614 -3.328 5.344 1.00 0.00 O ATOM 5 C3' C A 1 18.844 -5.349 6.525 1.00 0.00 C ATOM 6 O3' C A 1 17.539 -5.918 6.542 1.00 0.00 O ATOM 7 C2' C A 1 19.528 -5.526 5.172 1.00 0.00 C ATOM 8 O2' C A 1 19.057 -6.685 4.512 1.00 0.00 O ATOM 9 C1' C A 1 19.029 -4.299 4.403 1.00 0.00 C ATOM 10 N1 C A 1 20.061 -3.695 3.545 1.00 0.00 N ATOM 11 C2 C A 1 20.188 -4.132 2.223 1.00 0.00 C ATOM 12 O2 C A 1 19.413 -5.002 1.798 1.00 0.00 O ATOM 13 N3 C A 1 21.150 -3.594 1.441 1.00 0.00 N ATOM 14 C4 C A 1 21.962 -2.656 1.933 1.00 0.00 C ATOM 15 N4 C A 1 22.898 -2.155 1.128 1.00 0.00 N ATOM 16 C5 C A 1 21.851 -2.189 3.274 1.00 0.00 C ATOM 17 C6 C A 1 20.893 -2.728 4.036 1.00 0.00 C ATOM 0 H5' C A 1 19.980 -2.118 7.157 1.00 0.00 H new ATOM 0 H5'' C A 1 20.048 -3.388 8.363 1.00 0.00 H new ATOM 0 H4' C A 1 17.997 -3.592 7.392 1.00 0.00 H new ATOM 0 H3' C A 1 19.373 -5.853 7.334 1.00 0.00 H new ATOM 0 H2' C A 1 20.611 -5.622 5.252 1.00 0.00 H new ATOM 0 HO2' C A 1 18.158 -6.904 4.836 1.00 0.00 H new ATOM 0 HO5' C A 1 21.124 -3.688 5.711 1.00 0.00 H new ATOM 0 H1' C A 1 18.216 -4.627 3.755 1.00 0.00 H new ATOM 0 H41 C A 1 23.535 -1.437 1.472 1.00 0.00 H new ATOM 0 H42 C A 1 22.977 -2.490 0.168 1.00 0.00 H new ATOM 0 H5 C A 1 22.514 -1.429 3.660 1.00 0.00 H new ATOM 0 H6 C A 1 20.775 -2.394 5.056 1.00 0.00 H new ATOM 30 P G A 2 16.682 -5.908 7.903 1.00 0.00 P ATOM 31 OP1 G A 2 17.608 -6.204 9.026 1.00 0.00 O ATOM 32 OP2 G A 2 15.481 -6.758 7.697 1.00 0.00 O ATOM 33 O5' G A 2 16.206 -4.392 8.034 1.00 0.00 O ATOM 34 C5' G A 2 15.553 -3.739 6.949 1.00 0.00 C ATOM 35 C4' G A 2 15.536 -2.247 7.168 1.00 0.00 C ATOM 36 O4' G A 2 16.871 -1.721 7.081 1.00 0.00 O ATOM 37 C3' G A 2 14.802 -1.428 6.118 1.00 0.00 C ATOM 38 O3' G A 2 13.393 -1.455 6.321 1.00 0.00 O ATOM 39 C2' G A 2 15.380 -0.029 6.323 1.00 0.00 C ATOM 40 O2' G A 2 14.660 0.675 7.316 1.00 0.00 O ATOM 41 C1' G A 2 16.782 -0.332 6.865 1.00 0.00 C ATOM 42 N9 G A 2 17.854 0.070 5.963 1.00 0.00 N ATOM 43 C8 G A 2 18.838 0.990 6.215 1.00 0.00 C ATOM 44 N7 G A 2 19.652 1.164 5.210 1.00 0.00 N ATOM 45 C5 G A 2 19.179 0.295 4.236 1.00 0.00 C ATOM 46 C6 G A 2 19.652 0.037 2.924 1.00 0.00 C ATOM 47 O6 G A 2 20.614 0.545 2.337 1.00 0.00 O ATOM 48 N1 G A 2 18.877 -0.923 2.281 1.00 0.00 N ATOM 49 C2 G A 2 17.791 -1.556 2.830 1.00 0.00 C ATOM 50 N2 G A 2 17.187 -2.467 2.063 1.00 0.00 N ATOM 51 N3 G A 2 17.334 -1.319 4.045 1.00 0.00 N ATOM 52 C4 G A 2 18.072 -0.391 4.688 1.00 0.00 C ATOM 0 H5' G A 2 14.533 -4.111 6.853 1.00 0.00 H new ATOM 0 H5'' G A 2 16.066 -3.970 6.015 1.00 0.00 H new ATOM 0 H4' G A 2 15.042 -2.155 8.136 1.00 0.00 H new ATOM 0 H3' G A 2 14.937 -1.804 5.104 1.00 0.00 H new ATOM 0 H2' G A 2 15.354 0.576 5.417 1.00 0.00 H new ATOM 0 HO2' G A 2 13.749 0.319 7.374 1.00 0.00 H new ATOM 0 H1' G A 2 16.912 0.242 7.782 1.00 0.00 H new ATOM 0 H8 G A 2 18.931 1.519 7.152 1.00 0.00 H new ATOM 0 H1 G A 2 19.136 -1.176 1.327 1.00 0.00 H new ATOM 0 H21 G A 2 16.374 -2.972 2.415 1.00 0.00 H new ATOM 0 H22 G A 2 17.539 -2.658 1.125 1.00 0.00 H new ATOM 64 P C A 3 12.465 -2.382 5.391 1.00 0.00 P ATOM 65 OP1 C A 3 11.057 -2.008 5.679 1.00 0.00 O ATOM 66 OP2 C A 3 12.890 -3.796 5.535 1.00 0.00 O ATOM 67 O5' C A 3 12.802 -1.917 3.907 1.00 0.00 O ATOM 68 C5' C A 3 11.783 -1.878 2.914 1.00 0.00 C ATOM 69 C4' C A 3 12.313 -1.256 1.647 1.00 0.00 C ATOM 70 O4' C A 3 13.009 -0.025 1.983 1.00 0.00 O ATOM 71 C3' C A 3 13.325 -2.112 0.881 1.00 0.00 C ATOM 72 O3' C A 3 12.942 -2.280 -0.479 1.00 0.00 O ATOM 73 C2' C A 3 14.635 -1.338 1.000 1.00 0.00 C ATOM 74 O2' C A 3 15.402 -1.434 -0.186 1.00 0.00 O ATOM 75 C1' C A 3 14.124 0.089 1.142 1.00 0.00 C ATOM 76 N1 C A 3 15.103 1.015 1.732 1.00 0.00 N ATOM 77 C2 C A 3 16.033 1.612 0.883 1.00 0.00 C ATOM 78 O2 C A 3 15.982 1.368 -0.332 1.00 0.00 O ATOM 79 N3 C A 3 16.965 2.440 1.394 1.00 0.00 N ATOM 80 C4 C A 3 16.983 2.695 2.700 1.00 0.00 C ATOM 81 N4 C A 3 17.930 3.517 3.152 1.00 0.00 N ATOM 82 C5 C A 3 16.035 2.118 3.596 1.00 0.00 C ATOM 83 C6 C A 3 15.122 1.284 3.073 1.00 0.00 C ATOM 0 H5' C A 3 10.931 -1.305 3.280 1.00 0.00 H new ATOM 0 H5'' C A 3 11.425 -2.887 2.710 1.00 0.00 H new ATOM 0 H4' C A 3 11.437 -1.117 1.013 1.00 0.00 H new ATOM 0 H3' C A 3 13.402 -3.122 1.283 1.00 0.00 H new ATOM 0 H2' C A 3 15.275 -1.694 1.807 1.00 0.00 H new ATOM 0 HO2' C A 3 15.723 -0.544 -0.441 1.00 0.00 H new ATOM 0 H1' C A 3 13.902 0.509 0.161 1.00 0.00 H new ATOM 0 H41 C A 3 17.980 3.740 4.146 1.00 0.00 H new ATOM 0 H42 C A 3 18.604 3.923 2.504 1.00 0.00 H new ATOM 0 H5 C A 3 16.051 2.343 4.652 1.00 0.00 H new ATOM 0 H6 C A 3 14.393 0.819 3.720 1.00 0.00 H new ATOM 95 P G A 4 11.696 -3.225 -0.843 1.00 0.00 P ATOM 96 OP1 G A 4 11.771 -4.423 0.031 1.00 0.00 O ATOM 97 OP2 G A 4 11.667 -3.395 -2.318 1.00 0.00 O ATOM 98 O5' G A 4 10.424 -2.372 -0.402 1.00 0.00 O ATOM 99 C5' G A 4 9.998 -1.238 -1.156 1.00 0.00 C ATOM 100 C4' G A 4 9.137 -0.338 -0.303 1.00 0.00 C ATOM 101 O4' G A 4 9.868 0.018 0.890 1.00 0.00 O ATOM 102 C3' G A 4 8.787 1.001 -0.934 1.00 0.00 C ATOM 103 O3' G A 4 7.601 0.909 -1.719 1.00 0.00 O ATOM 104 C2' G A 4 8.592 1.939 0.262 1.00 0.00 C ATOM 105 O2' G A 4 7.231 2.001 0.640 1.00 0.00 O ATOM 106 C1' G A 4 9.376 1.245 1.381 1.00 0.00 C ATOM 107 N9 G A 4 10.503 2.040 1.859 1.00 0.00 N ATOM 108 C8 G A 4 10.707 2.511 3.134 1.00 0.00 C ATOM 109 N7 G A 4 11.811 3.195 3.259 1.00 0.00 N ATOM 110 C5 G A 4 12.368 3.179 1.987 1.00 0.00 C ATOM 111 C6 G A 4 13.569 3.760 1.501 1.00 0.00 C ATOM 112 O6 G A 4 14.413 4.424 2.118 1.00 0.00 O ATOM 113 N1 G A 4 13.748 3.501 0.147 1.00 0.00 N ATOM 114 C2 G A 4 12.886 2.777 -0.639 1.00 0.00 C ATOM 115 N2 G A 4 13.232 2.637 -1.923 1.00 0.00 N ATOM 116 N3 G A 4 11.768 2.230 -0.201 1.00 0.00 N ATOM 117 C4 G A 4 11.573 2.469 1.112 1.00 0.00 C ATOM 0 H5' G A 4 9.439 -1.564 -2.033 1.00 0.00 H new ATOM 0 H5'' G A 4 10.865 -0.687 -1.519 1.00 0.00 H new ATOM 0 H4' G A 4 8.224 -0.910 -0.137 1.00 0.00 H new ATOM 0 H3' G A 4 9.560 1.354 -1.617 1.00 0.00 H new ATOM 0 H2' G A 4 8.915 2.957 0.046 1.00 0.00 H new ATOM 0 HO2' G A 4 6.682 1.559 -0.041 1.00 0.00 H new ATOM 0 H1' G A 4 8.695 1.103 2.220 1.00 0.00 H new ATOM 0 H8 G A 4 10.022 2.333 3.950 1.00 0.00 H new ATOM 0 H1 G A 4 14.585 3.878 -0.297 1.00 0.00 H new ATOM 0 H21 G A 4 12.633 2.110 -2.558 1.00 0.00 H new ATOM 0 H22 G A 4 14.095 3.057 -2.267 1.00 0.00 H new ATOM 129 P C A 5 7.705 0.846 -3.323 1.00 0.00 P ATOM 130 OP1 C A 5 6.315 0.842 -3.848 1.00 0.00 O ATOM 131 OP2 C A 5 8.631 -0.252 -3.694 1.00 0.00 O ATOM 132 O5' C A 5 8.383 2.232 -3.725 1.00 0.00 O ATOM 133 C5' C A 5 7.904 2.991 -4.834 1.00 0.00 C ATOM 134 C4' C A 5 8.924 4.030 -5.235 1.00 0.00 C ATOM 135 O4' C A 5 9.127 4.941 -4.117 1.00 0.00 O ATOM 136 C3' C A 5 10.311 3.481 -5.572 1.00 0.00 C ATOM 137 O3' C A 5 10.919 4.201 -6.641 1.00 0.00 O ATOM 138 C2' C A 5 11.076 3.669 -4.268 1.00 0.00 C ATOM 139 O2' C A 5 12.464 3.825 -4.497 1.00 0.00 O ATOM 140 C1' C A 5 10.501 5.002 -3.809 1.00 0.00 C ATOM 141 N1 C A 5 10.655 5.286 -2.373 1.00 0.00 N ATOM 142 C2 C A 5 11.709 6.102 -1.968 1.00 0.00 C ATOM 143 O2 C A 5 12.484 6.544 -2.825 1.00 0.00 O ATOM 144 N3 C A 5 11.860 6.389 -0.658 1.00 0.00 N ATOM 145 C4 C A 5 11.000 5.899 0.234 1.00 0.00 C ATOM 146 N4 C A 5 11.185 6.214 1.514 1.00 0.00 N ATOM 147 C5 C A 5 9.912 5.062 -0.149 1.00 0.00 C ATOM 148 C6 C A 5 9.784 4.775 -1.453 1.00 0.00 C ATOM 0 H5' C A 5 6.963 3.476 -4.573 1.00 0.00 H new ATOM 0 H5'' C A 5 7.698 2.329 -5.675 1.00 0.00 H new ATOM 0 H4' C A 5 8.515 4.495 -6.132 1.00 0.00 H new ATOM 0 H3' C A 5 10.288 2.446 -5.914 1.00 0.00 H new ATOM 0 H2' C A 5 10.978 2.834 -3.574 1.00 0.00 H new ATOM 0 HO2' C A 5 12.608 4.189 -5.396 1.00 0.00 H new ATOM 0 H1' C A 5 11.044 5.802 -4.311 1.00 0.00 H new ATOM 0 H41 C A 5 10.546 5.857 2.225 1.00 0.00 H new ATOM 0 H42 C A 5 11.966 6.812 1.784 1.00 0.00 H new ATOM 0 H5 C A 5 9.218 4.674 0.582 1.00 0.00 H new ATOM 0 H6 C A 5 8.981 4.131 -1.780 1.00 0.00 H new ATOM 160 P G A 6 10.579 3.813 -8.163 1.00 0.00 P ATOM 161 OP1 G A 6 10.609 2.332 -8.270 1.00 0.00 O ATOM 162 OP2 G A 6 11.444 4.631 -9.053 1.00 0.00 O ATOM 163 O5' G A 6 9.072 4.292 -8.357 1.00 0.00 O ATOM 164 C5' G A 6 8.728 5.674 -8.297 1.00 0.00 C ATOM 165 C4' G A 6 7.234 5.829 -8.138 1.00 0.00 C ATOM 166 O4' G A 6 6.852 5.351 -6.826 1.00 0.00 O ATOM 167 C3' G A 6 6.721 7.261 -8.188 1.00 0.00 C ATOM 168 O3' G A 6 6.485 7.702 -9.530 1.00 0.00 O ATOM 169 C2' G A 6 5.433 7.193 -7.371 1.00 0.00 C ATOM 170 O2' G A 6 4.353 6.733 -8.162 1.00 0.00 O ATOM 171 C1' G A 6 5.767 6.115 -6.337 1.00 0.00 C ATOM 172 N9 G A 6 6.140 6.649 -5.030 1.00 0.00 N ATOM 173 C8 G A 6 5.372 6.652 -3.891 1.00 0.00 C ATOM 174 N7 G A 6 5.977 7.179 -2.864 1.00 0.00 N ATOM 175 C5 G A 6 7.220 7.557 -3.355 1.00 0.00 C ATOM 176 C6 G A 6 8.311 8.187 -2.704 1.00 0.00 C ATOM 177 O6 G A 6 8.401 8.547 -1.526 1.00 0.00 O ATOM 178 N1 G A 6 9.378 8.389 -3.573 1.00 0.00 N ATOM 179 C2 G A 6 9.391 8.035 -4.898 1.00 0.00 C ATOM 180 N2 G A 6 10.515 8.314 -5.569 1.00 0.00 N ATOM 181 N3 G A 6 8.381 7.450 -5.519 1.00 0.00 N ATOM 182 C4 G A 6 7.335 7.241 -4.692 1.00 0.00 C ATOM 0 H5' G A 6 9.060 6.179 -9.204 1.00 0.00 H new ATOM 0 H5'' G A 6 9.242 6.149 -7.461 1.00 0.00 H new ATOM 0 H4' G A 6 6.811 5.275 -8.976 1.00 0.00 H new ATOM 0 H3' G A 6 7.436 7.983 -7.795 1.00 0.00 H new ATOM 0 H2' G A 6 5.140 8.159 -6.960 1.00 0.00 H new ATOM 0 HO2' G A 6 4.556 6.879 -9.110 1.00 0.00 H new ATOM 0 HO3' G A 6 6.155 8.625 -9.518 1.00 0.00 H new ATOM 0 H1' G A 6 4.864 5.521 -6.195 1.00 0.00 H new ATOM 0 H8 G A 6 4.368 6.257 -3.851 1.00 0.00 H new ATOM 0 H1 G A 6 10.215 8.834 -3.196 1.00 0.00 H new ATOM 0 H21 G A 6 10.591 8.077 -6.558 1.00 0.00 H new ATOM 0 H22 G A 6 11.296 8.764 -5.091 1.00 0.00 H new TER 195 G A 6 ATOM 196 O5' C B 7 14.159 13.628 -0.406 1.00 0.00 O ATOM 197 C5' C B 7 15.572 13.433 -0.507 1.00 0.00 C ATOM 198 C4' C B 7 15.951 12.898 -1.869 1.00 0.00 C ATOM 199 O4' C B 7 15.527 11.516 -1.966 1.00 0.00 O ATOM 200 C3' C B 7 15.293 13.587 -3.056 1.00 0.00 C ATOM 201 O3' C B 7 16.094 13.480 -4.228 1.00 0.00 O ATOM 202 C2' C B 7 13.967 12.842 -3.198 1.00 0.00 C ATOM 203 O2' C B 7 13.567 12.774 -4.552 1.00 0.00 O ATOM 204 C1' C B 7 14.344 11.429 -2.736 1.00 0.00 C ATOM 205 N1 C B 7 13.305 10.796 -1.910 1.00 0.00 N ATOM 206 C2 C B 7 12.280 10.079 -2.534 1.00 0.00 C ATOM 207 O2 C B 7 12.280 9.975 -3.770 1.00 0.00 O ATOM 208 N3 C B 7 11.312 9.516 -1.775 1.00 0.00 N ATOM 209 C4 C B 7 11.347 9.645 -0.447 1.00 0.00 C ATOM 210 N4 C B 7 10.373 9.077 0.262 1.00 0.00 N ATOM 211 C5 C B 7 12.384 10.363 0.215 1.00 0.00 C ATOM 212 C6 C B 7 13.335 10.913 -0.548 1.00 0.00 C ATOM 0 H5' C B 7 15.903 12.738 0.265 1.00 0.00 H new ATOM 0 H5'' C B 7 16.086 14.377 -0.328 1.00 0.00 H new ATOM 0 H4' C B 7 17.027 13.060 -1.929 1.00 0.00 H new ATOM 0 H3' C B 7 15.159 14.659 -2.912 1.00 0.00 H new ATOM 0 H2' C B 7 13.154 13.313 -2.646 1.00 0.00 H new ATOM 0 HO2' C B 7 14.336 12.963 -5.130 1.00 0.00 H new ATOM 0 HO5' C B 7 13.695 12.819 -0.708 1.00 0.00 H new ATOM 0 H1' C B 7 14.472 10.817 -3.628 1.00 0.00 H new ATOM 0 H41 C B 7 10.370 9.156 1.279 1.00 0.00 H new ATOM 0 H42 C B 7 9.631 8.563 -0.212 1.00 0.00 H new ATOM 0 H5 C B 7 12.402 10.459 1.291 1.00 0.00 H new ATOM 0 H6 C B 7 14.141 11.459 -0.080 1.00 0.00 H new ATOM 225 P G B 8 17.496 14.263 -4.312 1.00 0.00 P ATOM 226 OP1 G B 8 17.334 15.566 -3.619 1.00 0.00 O ATOM 227 OP2 G B 8 17.957 14.234 -5.724 1.00 0.00 O ATOM 228 O5' G B 8 18.481 13.356 -3.447 1.00 0.00 O ATOM 229 C5' G B 8 18.483 11.938 -3.593 1.00 0.00 C ATOM 230 C4' G B 8 19.142 11.289 -2.401 1.00 0.00 C ATOM 231 O4' G B 8 18.257 11.340 -1.269 1.00 0.00 O ATOM 232 C3' G B 8 19.424 9.799 -2.529 1.00 0.00 C ATOM 233 O3' G B 8 20.635 9.557 -3.238 1.00 0.00 O ATOM 234 C2' G B 8 19.524 9.337 -1.073 1.00 0.00 C ATOM 235 O2' G B 8 20.859 9.411 -0.612 1.00 0.00 O ATOM 236 C1' G B 8 18.698 10.392 -0.327 1.00 0.00 C ATOM 237 N9 G B 8 17.535 9.849 0.366 1.00 0.00 N ATOM 238 C8 G B 8 17.277 9.914 1.712 1.00 0.00 C ATOM 239 N7 G B 8 16.165 9.324 2.053 1.00 0.00 N ATOM 240 C5 G B 8 15.653 8.842 0.856 1.00 0.00 C ATOM 241 C6 G B 8 14.466 8.113 0.590 1.00 0.00 C ATOM 242 O6 G B 8 13.599 7.732 1.387 1.00 0.00 O ATOM 243 N1 G B 8 14.332 7.830 -0.765 1.00 0.00 N ATOM 244 C2 G B 8 15.223 8.203 -1.739 1.00 0.00 C ATOM 245 N2 G B 8 14.913 7.852 -2.989 1.00 0.00 N ATOM 246 N3 G B 8 16.336 8.876 -1.506 1.00 0.00 N ATOM 247 C4 G B 8 16.486 9.161 -0.196 1.00 0.00 C ATOM 0 H5' G B 8 19.012 11.660 -4.505 1.00 0.00 H new ATOM 0 H5'' G B 8 17.460 11.575 -3.694 1.00 0.00 H new ATOM 0 H4' G B 8 20.076 11.842 -2.307 1.00 0.00 H new ATOM 0 H3' G B 8 18.658 9.267 -3.093 1.00 0.00 H new ATOM 0 H2' G B 8 19.189 8.309 -0.936 1.00 0.00 H new ATOM 0 HO2' G B 8 21.462 9.536 -1.374 1.00 0.00 H new ATOM 0 H1' G B 8 19.341 10.827 0.438 1.00 0.00 H new ATOM 0 H8 G B 8 17.930 10.405 2.419 1.00 0.00 H new ATOM 0 H1 G B 8 13.508 7.305 -1.057 1.00 0.00 H new ATOM 0 H21 G B 8 15.536 8.100 -3.758 1.00 0.00 H new ATOM 0 H22 G B 8 14.053 7.335 -3.175 1.00 0.00 H new ATOM 259 P C B 9 20.586 9.035 -4.757 1.00 0.00 P ATOM 260 OP1 C B 9 21.960 8.591 -5.104 1.00 0.00 O ATOM 261 OP2 C B 9 19.913 10.055 -5.599 1.00 0.00 O ATOM 262 O5' C B 9 19.656 7.745 -4.701 1.00 0.00 O ATOM 263 C5' C B 9 19.873 6.659 -5.595 1.00 0.00 C ATOM 264 C4' C B 9 18.917 5.535 -5.292 1.00 0.00 C ATOM 265 O4' C B 9 18.943 5.275 -3.863 1.00 0.00 O ATOM 266 C3' C B 9 17.453 5.821 -5.643 1.00 0.00 C ATOM 267 O3' C B 9 16.896 4.788 -6.447 1.00 0.00 O ATOM 268 C2' C B 9 16.756 5.911 -4.287 1.00 0.00 C ATOM 269 O2' C B 9 15.451 5.371 -4.347 1.00 0.00 O ATOM 270 C1' C B 9 17.633 4.999 -3.440 1.00 0.00 C ATOM 271 N1 C B 9 17.523 5.236 -1.992 1.00 0.00 N ATOM 272 C2 C B 9 16.512 4.581 -1.290 1.00 0.00 C ATOM 273 O2 C B 9 15.762 3.810 -1.903 1.00 0.00 O ATOM 274 N3 C B 9 16.374 4.798 0.034 1.00 0.00 N ATOM 275 C4 C B 9 17.211 5.619 0.664 1.00 0.00 C ATOM 276 N4 C B 9 17.033 5.798 1.973 1.00 0.00 N ATOM 277 C5 C B 9 18.265 6.293 -0.019 1.00 0.00 C ATOM 278 C6 C B 9 18.380 6.081 -1.339 1.00 0.00 C ATOM 0 H5' C B 9 20.900 6.306 -5.507 1.00 0.00 H new ATOM 0 H5'' C B 9 19.738 6.993 -6.624 1.00 0.00 H new ATOM 0 H4' C B 9 19.253 4.699 -5.906 1.00 0.00 H new ATOM 0 H3' C B 9 17.338 6.731 -6.231 1.00 0.00 H new ATOM 0 H2' C B 9 16.649 6.932 -3.920 1.00 0.00 H new ATOM 0 HO2' C B 9 15.309 4.774 -3.583 1.00 0.00 H new ATOM 0 H1' C B 9 17.327 3.962 -3.577 1.00 0.00 H new ATOM 0 H41 C B 9 17.654 6.419 2.492 1.00 0.00 H new ATOM 0 H42 C B 9 16.276 5.314 2.456 1.00 0.00 H new ATOM 0 H5 C B 9 18.944 6.949 0.505 1.00 0.00 H new ATOM 0 H6 C B 9 19.159 6.583 -1.894 1.00 0.00 H new ATOM 290 P G B 10 17.365 4.624 -7.975 1.00 0.00 P ATOM 291 OP1 G B 10 17.541 5.986 -8.543 1.00 0.00 O ATOM 292 OP2 G B 10 16.451 3.665 -8.642 1.00 0.00 O ATOM 293 O5' G B 10 18.804 3.949 -7.863 1.00 0.00 O ATOM 294 C5' G B 10 18.948 2.604 -7.417 1.00 0.00 C ATOM 295 C4' G B 10 20.349 2.368 -6.915 1.00 0.00 C ATOM 296 O4' G B 10 20.659 3.326 -5.878 1.00 0.00 O ATOM 297 C3' G B 10 20.558 1.029 -6.230 1.00 0.00 C ATOM 298 O3' G B 10 20.818 0.004 -7.183 1.00 0.00 O ATOM 299 C2' G B 10 21.752 1.281 -5.309 1.00 0.00 C ATOM 300 O2' G B 10 22.970 1.010 -5.972 1.00 0.00 O ATOM 301 C1' G B 10 21.662 2.788 -5.043 1.00 0.00 C ATOM 302 N9 G B 10 21.337 3.104 -3.656 1.00 0.00 N ATOM 303 C8 G B 10 22.082 3.855 -2.779 1.00 0.00 C ATOM 304 N7 G B 10 21.538 3.959 -1.597 1.00 0.00 N ATOM 305 C5 G B 10 20.361 3.229 -1.698 1.00 0.00 C ATOM 306 C6 G B 10 19.348 2.973 -0.734 1.00 0.00 C ATOM 307 O6 G B 10 19.285 3.355 0.444 1.00 0.00 O ATOM 308 N1 G B 10 18.332 2.184 -1.261 1.00 0.00 N ATOM 309 C2 G B 10 18.289 1.703 -2.544 1.00 0.00 C ATOM 310 N2 G B 10 17.223 0.961 -2.858 1.00 0.00 N ATOM 311 N3 G B 10 19.221 1.933 -3.451 1.00 0.00 N ATOM 312 C4 G B 10 20.222 2.696 -2.964 1.00 0.00 C ATOM 0 H5' G B 10 18.726 1.917 -8.234 1.00 0.00 H new ATOM 0 H5'' G B 10 18.230 2.398 -6.623 1.00 0.00 H new ATOM 0 H4' G B 10 20.968 2.435 -7.810 1.00 0.00 H new ATOM 0 H3' G B 10 19.682 0.683 -5.681 1.00 0.00 H new ATOM 0 H2' G B 10 21.730 0.658 -4.415 1.00 0.00 H new ATOM 0 HO2' G B 10 22.794 0.471 -6.771 1.00 0.00 H new ATOM 0 H1' G B 10 22.641 3.220 -5.251 1.00 0.00 H new ATOM 0 H8 G B 10 23.024 4.314 -3.042 1.00 0.00 H new ATOM 0 H1 G B 10 17.556 1.944 -0.644 1.00 0.00 H new ATOM 0 H21 G B 10 17.130 0.573 -3.797 1.00 0.00 H new ATOM 0 H22 G B 10 16.502 0.783 -2.159 1.00 0.00 H new ATOM 324 P C B 11 19.669 -1.062 -7.542 1.00 0.00 P ATOM 325 OP1 C B 11 20.211 -1.944 -8.610 1.00 0.00 O ATOM 326 OP2 C B 11 18.395 -0.333 -7.771 1.00 0.00 O ATOM 327 O5' C B 11 19.519 -1.922 -6.210 1.00 0.00 O ATOM 328 C5' C B 11 19.441 -3.344 -6.257 1.00 0.00 C ATOM 329 C4' C B 11 18.764 -3.865 -5.014 1.00 0.00 C ATOM 330 O4' C B 11 19.577 -3.505 -3.859 1.00 0.00 O ATOM 331 C3' C B 11 17.381 -3.275 -4.741 1.00 0.00 C ATOM 332 O3' C B 11 16.509 -4.231 -4.146 1.00 0.00 O ATOM 333 C2' C B 11 17.688 -2.129 -3.788 1.00 0.00 C ATOM 334 O2' C B 11 16.585 -1.844 -2.949 1.00 0.00 O ATOM 335 C1' C B 11 18.794 -2.759 -2.952 1.00 0.00 C ATOM 336 N1 C B 11 19.662 -1.802 -2.250 1.00 0.00 N ATOM 337 C2 C B 11 19.458 -1.603 -0.887 1.00 0.00 C ATOM 338 O2 C B 11 18.554 -2.229 -0.322 1.00 0.00 O ATOM 339 N3 C B 11 20.247 -0.738 -0.216 1.00 0.00 N ATOM 340 C4 C B 11 21.218 -0.088 -0.858 1.00 0.00 C ATOM 341 N4 C B 11 21.973 0.752 -0.155 1.00 0.00 N ATOM 342 C5 C B 11 21.455 -0.273 -2.250 1.00 0.00 C ATOM 343 C6 C B 11 20.651 -1.123 -2.905 1.00 0.00 C ATOM 0 H5' C B 11 20.441 -3.769 -6.341 1.00 0.00 H new ATOM 0 H5'' C B 11 18.886 -3.657 -7.142 1.00 0.00 H new ATOM 0 H4' C B 11 18.653 -4.937 -5.175 1.00 0.00 H new ATOM 0 H3' C B 11 16.864 -2.957 -5.646 1.00 0.00 H new ATOM 0 H2' C B 11 17.935 -1.193 -4.288 1.00 0.00 H new ATOM 0 HO2' C B 11 16.029 -2.646 -2.856 1.00 0.00 H new ATOM 0 H1' C B 11 18.331 -3.351 -2.163 1.00 0.00 H new ATOM 0 H41 C B 11 22.725 1.267 -0.613 1.00 0.00 H new ATOM 0 H42 C B 11 21.799 0.881 0.842 1.00 0.00 H new ATOM 0 H5 C B 11 22.251 0.251 -2.758 1.00 0.00 H new ATOM 0 H6 C B 11 20.787 -1.273 -3.966 1.00 0.00 H new ATOM 355 P G B 12 15.690 -5.253 -5.077 1.00 0.00 P ATOM 356 OP1 G B 12 15.166 -4.486 -6.236 1.00 0.00 O ATOM 357 OP2 G B 12 14.749 -6.013 -4.215 1.00 0.00 O ATOM 358 O5' G B 12 16.799 -6.261 -5.615 1.00 0.00 O ATOM 359 C5' G B 12 17.556 -7.070 -4.718 1.00 0.00 C ATOM 360 C4' G B 12 18.762 -7.640 -5.426 1.00 0.00 C ATOM 361 O4' G B 12 19.702 -6.570 -5.687 1.00 0.00 O ATOM 362 C3' G B 12 19.566 -8.660 -4.634 1.00 0.00 C ATOM 363 O3' G B 12 19.032 -9.984 -4.743 1.00 0.00 O ATOM 364 C2' G B 12 20.955 -8.555 -5.257 1.00 0.00 C ATOM 365 O2' G B 12 21.041 -9.323 -6.442 1.00 0.00 O ATOM 366 C1' G B 12 21.023 -7.073 -5.632 1.00 0.00 C ATOM 367 N9 G B 12 21.782 -6.262 -4.686 1.00 0.00 N ATOM 368 C8 G B 12 23.033 -5.727 -4.873 1.00 0.00 C ATOM 369 N7 G B 12 23.451 -5.026 -3.856 1.00 0.00 N ATOM 370 C5 G B 12 22.416 -5.109 -2.935 1.00 0.00 C ATOM 371 C6 G B 12 22.295 -4.552 -1.636 1.00 0.00 C ATOM 372 O6 G B 12 23.105 -3.850 -1.022 1.00 0.00 O ATOM 373 N1 G B 12 21.082 -4.888 -1.046 1.00 0.00 N ATOM 374 C2 G B 12 20.110 -5.661 -1.629 1.00 0.00 C ATOM 375 N2 G B 12 19.008 -5.871 -0.899 1.00 0.00 N ATOM 376 N3 G B 12 20.209 -6.188 -2.836 1.00 0.00 N ATOM 377 C4 G B 12 21.380 -5.873 -3.429 1.00 0.00 C ATOM 0 H5' G B 12 16.935 -7.879 -4.333 1.00 0.00 H new ATOM 0 H5'' G B 12 17.874 -6.476 -3.861 1.00 0.00 H new ATOM 0 H4' G B 12 18.348 -8.127 -6.309 1.00 0.00 H new ATOM 0 H3' G B 12 19.557 -8.462 -3.562 1.00 0.00 H new ATOM 0 H2' G B 12 21.746 -8.906 -4.594 1.00 0.00 H new ATOM 0 HO2' G B 12 20.338 -10.006 -6.441 1.00 0.00 H new ATOM 0 HO3' G B 12 19.583 -10.603 -4.219 1.00 0.00 H new ATOM 0 H1' G B 12 21.537 -7.009 -6.591 1.00 0.00 H new ATOM 0 H8 G B 12 23.613 -5.872 -5.773 1.00 0.00 H new ATOM 0 H1 G B 12 20.901 -4.532 -0.107 1.00 0.00 H new ATOM 0 H21 G B 12 18.247 -6.437 -1.275 1.00 0.00 H new ATOM 0 H22 G B 12 18.929 -5.465 0.033 1.00 0.00 H new TER 390 G B 12