USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 244 hydrogens (244 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 12 GF2 O3' : rot 15:sc= 0.0455 USER MOD Single : B 24 GF2 O3' : rot 34:sc= -0.0895 USER MOD ----------------------------------------------------------------- HETATM 1 N1 CFZ A 1 1.504 -15.632 -2.601 1.00 0.00 N HETATM 2 C2 CFZ A 1 0.338 -16.084 -1.948 1.00 0.00 C HETATM 3 O2 CFZ A 1 -0.520 -16.713 -2.575 1.00 0.00 O HETATM 4 N3 CFZ A 1 0.164 -15.768 -0.613 1.00 0.00 N HETATM 5 C4 CFZ A 1 1.035 -14.941 -0.007 1.00 0.00 C HETATM 6 N4 CFZ A 1 0.852 -14.605 1.254 1.00 0.00 N HETATM 7 C5 CFZ A 1 2.168 -14.411 -0.691 1.00 0.00 C HETATM 8 C6 CFZ A 1 2.365 -14.773 -1.977 1.00 0.00 C HETATM 9 C1' CFZ A 1 1.833 -16.130 -3.965 1.00 0.00 C HETATM 10 C2' CFZ A 1 1.045 -15.432 -5.073 1.00 0.00 C HETATM 11 F2' CFZ A 1 0.053 -16.367 -5.285 1.00 0.00 F HETATM 12 C3' CFZ A 1 2.111 -15.147 -6.137 1.00 0.00 C HETATM 13 O3' CFZ A 1 1.655 -15.225 -7.479 1.00 0.00 O HETATM 14 C4' CFZ A 1 3.194 -16.147 -5.756 1.00 0.00 C HETATM 15 O4' CFZ A 1 3.199 -16.024 -4.334 1.00 0.00 O HETATM 16 C5' CFZ A 1 4.572 -15.840 -6.353 1.00 0.00 C HETATM 17 O5' CFZ A 1 5.112 -14.653 -5.803 1.00 0.00 O HETATM 0 HN4A CFZ A 1 1.511 -13.978 1.716 1.00 0.00 H new HETATM 0 H5'A CFZ A 1 5.248 -16.673 -6.162 1.00 0.00 H new HETATM 0 HN4 CFZ A 1 0.051 -14.972 1.768 1.00 0.00 H new HETATM 0 H6 CFZ A 1 3.220 -14.376 -2.524 1.00 0.00 H new HETATM 0 H5' CFZ A 1 4.489 -15.738 -7.435 1.00 0.00 H new HETATM 0 H5 CFZ A 1 2.857 -13.732 -0.189 1.00 0.00 H new HETATM 0 H4' CFZ A 1 2.991 -17.149 -6.135 1.00 0.00 H new HETATM 0 H3' CFZ A 1 2.462 -14.115 -6.136 1.00 0.00 H new HETATM 0 H2' CFZ A 1 0.546 -14.471 -4.949 1.00 0.00 H new HETATM 0 H1' CFZ A 1 1.558 -17.182 -3.881 1.00 0.00 H new HETATM 29 F GF2 A 2 -5.370 -13.546 -5.364 1.00 0.00 F HETATM 30 P GF2 A 2 0.832 -14.021 -8.156 1.00 0.00 P HETATM 31 N1 GF2 A 2 -4.671 -13.925 0.271 1.00 0.00 N HETATM 32 C2 GF2 A 2 -5.379 -14.454 -0.765 1.00 0.00 C HETATM 33 N2 GF2 A 2 -6.614 -14.824 -0.539 1.00 0.00 N HETATM 34 N3 GF2 A 2 -4.911 -14.591 -2.003 1.00 0.00 N HETATM 35 C4 GF2 A 2 -3.638 -14.125 -2.138 1.00 0.00 C HETATM 36 C5 GF2 A 2 -2.834 -13.582 -1.159 1.00 0.00 C HETATM 37 C6 GF2 A 2 -3.363 -13.487 0.177 1.00 0.00 C HETATM 38 O6 GF2 A 2 -2.833 -13.087 1.212 1.00 0.00 O HETATM 39 N7 GF2 A 2 -1.607 -13.202 -1.717 1.00 0.00 N HETATM 40 C8 GF2 A 2 -1.719 -13.516 -2.978 1.00 0.00 C HETATM 41 N9 GF2 A 2 -2.921 -14.089 -3.306 1.00 0.00 N HETATM 42 C1' GF2 A 2 -3.447 -14.467 -4.637 1.00 0.00 C HETATM 43 OP2 GF2 A 2 1.465 -12.723 -7.875 1.00 0.00 O HETATM 44 C2' GF2 A 2 -4.024 -13.259 -5.356 1.00 0.00 C HETATM 45 OP1 GF2 A 2 0.530 -14.326 -9.571 1.00 0.00 O HETATM 46 C3' GF2 A 2 -3.261 -13.195 -6.674 1.00 0.00 C HETATM 47 O3' GF2 A 2 -3.994 -12.615 -7.748 1.00 0.00 O HETATM 48 C4' GF2 A 2 -2.804 -14.650 -6.795 1.00 0.00 C HETATM 49 O4' GF2 A 2 -2.413 -14.956 -5.460 1.00 0.00 O HETATM 50 C5' GF2 A 2 -1.626 -14.866 -7.743 1.00 0.00 C HETATM 51 O5' GF2 A 2 -0.572 -13.982 -7.406 1.00 0.00 O HETATM 0 HN2A GF2 A 2 -7.173 -15.224 -1.293 1.00 0.00 H new HETATM 0 H5'A GF2 A 2 -1.281 -15.898 -7.681 1.00 0.00 H new HETATM 0 HN2 GF2 A 2 -7.018 -14.712 0.391 1.00 0.00 H new HETATM 0 HN1 GF2 A 2 -5.136 -13.847 1.175 1.00 0.00 H new HETATM 0 H8 GF2 A 2 -0.928 -13.339 -3.706 1.00 0.00 H new HETATM 0 H5' GF2 A 2 -1.940 -14.697 -8.773 1.00 0.00 H new HETATM 0 H4' GF2 A 2 -3.592 -15.277 -7.212 1.00 0.00 H new HETATM 0 H3' GF2 A 2 -2.417 -12.506 -6.711 1.00 0.00 H new HETATM 0 H2' GF2 A 2 -3.922 -12.256 -4.942 1.00 0.00 H new HETATM 0 H1' GF2 A 2 -4.212 -15.225 -4.467 1.00 0.00 H new HETATM 62 P CFZ A 3 -4.364 -11.037 -7.793 1.00 0.00 P HETATM 63 N1 CFZ A 3 -6.289 -10.838 -2.549 1.00 0.00 N HETATM 64 C2 CFZ A 3 -6.394 -10.791 -1.154 1.00 0.00 C HETATM 65 O2 CFZ A 3 -7.482 -10.908 -0.601 1.00 0.00 O HETATM 66 N3 CFZ A 3 -5.292 -10.583 -0.389 1.00 0.00 N HETATM 67 C4 CFZ A 3 -4.119 -10.403 -0.974 1.00 0.00 C HETATM 68 N4 CFZ A 3 -3.089 -10.226 -0.184 1.00 0.00 N HETATM 69 C5 CFZ A 3 -3.954 -10.451 -2.395 1.00 0.00 C HETATM 70 C6 CFZ A 3 -5.068 -10.666 -3.142 1.00 0.00 C HETATM 71 C1' CFZ A 3 -7.531 -10.950 -3.376 1.00 0.00 C HETATM 72 O1P CFZ A 3 -4.908 -10.729 -9.132 1.00 0.00 O HETATM 73 C2' CFZ A 3 -8.063 -9.596 -3.770 1.00 0.00 C HETATM 74 F2' CFZ A 3 -9.416 -9.615 -3.543 1.00 0.00 F HETATM 75 O2P CFZ A 3 -3.218 -10.230 -7.326 1.00 0.00 O HETATM 76 C3' CFZ A 3 -7.619 -9.411 -5.225 1.00 0.00 C HETATM 77 O3' CFZ A 3 -8.280 -8.387 -5.977 1.00 0.00 O HETATM 78 C4' CFZ A 3 -7.717 -10.861 -5.701 1.00 0.00 C HETATM 79 O4' CFZ A 3 -7.255 -11.634 -4.593 1.00 0.00 O HETATM 80 C5' CFZ A 3 -6.862 -11.153 -6.942 1.00 0.00 C HETATM 81 O5' CFZ A 3 -5.517 -10.755 -6.719 1.00 0.00 O HETATM 0 HN4A CFZ A 3 -2.160 -10.083 -0.581 1.00 0.00 H new HETATM 0 H5'A CFZ A 3 -6.900 -12.217 -7.176 1.00 0.00 H new HETATM 0 HN4 CFZ A 3 -3.216 -10.232 0.828 1.00 0.00 H new HETATM 0 H6 CFZ A 3 -4.988 -10.702 -4.228 1.00 0.00 H new HETATM 0 H5' CFZ A 3 -7.267 -10.623 -7.804 1.00 0.00 H new HETATM 0 H5 CFZ A 3 -2.976 -10.321 -2.858 1.00 0.00 H new HETATM 0 H4' CFZ A 3 -8.738 -11.095 -6.002 1.00 0.00 H new HETATM 0 H3' CFZ A 3 -6.627 -8.981 -5.363 1.00 0.00 H new HETATM 0 H2' CFZ A 3 -7.692 -8.741 -3.205 1.00 0.00 H new HETATM 0 H1' CFZ A 3 -8.258 -11.484 -2.765 1.00 0.00 H new HETATM 92 F GF2 A 4 -10.611 -5.316 0.449 1.00 0.00 F HETATM 93 P GF2 A 4 -7.906 -6.826 -5.729 1.00 0.00 P HETATM 94 N1 GF2 A 4 -5.620 -6.646 3.082 1.00 0.00 N HETATM 95 C2 GF2 A 4 -6.972 -6.577 3.210 1.00 0.00 C HETATM 96 N2 GF2 A 4 -7.453 -6.371 4.413 1.00 0.00 N HETATM 97 N3 GF2 A 4 -7.833 -6.680 2.197 1.00 0.00 N HETATM 98 C4 GF2 A 4 -7.214 -6.882 0.995 1.00 0.00 C HETATM 99 C5 GF2 A 4 -5.857 -6.958 0.757 1.00 0.00 C HETATM 100 C6 GF2 A 4 -4.964 -6.815 1.876 1.00 0.00 C HETATM 101 O6 GF2 A 4 -3.735 -6.809 1.910 1.00 0.00 O HETATM 102 N7 GF2 A 4 -5.614 -7.133 -0.612 1.00 0.00 N HETATM 103 C8 GF2 A 4 -6.809 -7.135 -1.135 1.00 0.00 C HETATM 104 N9 GF2 A 4 -7.829 -7.001 -0.231 1.00 0.00 N HETATM 105 C1' GF2 A 4 -9.275 -6.837 -0.525 1.00 0.00 C HETATM 106 OP2 GF2 A 4 -6.435 -6.783 -5.535 1.00 0.00 O HETATM 107 C2' GF2 A 4 -9.636 -5.360 -0.522 1.00 0.00 C HETATM 108 OP1 GF2 A 4 -8.459 -5.961 -6.802 1.00 0.00 O HETATM 109 C3' GF2 A 4 -9.981 -5.016 -1.973 1.00 0.00 C HETATM 110 O3' GF2 A 4 -10.956 -3.969 -2.119 1.00 0.00 O HETATM 111 C4' GF2 A 4 -10.313 -6.391 -2.562 1.00 0.00 C HETATM 112 O4' GF2 A 4 -9.482 -7.300 -1.847 1.00 0.00 O HETATM 113 C5' GF2 A 4 -9.994 -6.532 -4.067 1.00 0.00 C HETATM 114 O5' GF2 A 4 -8.587 -6.455 -4.311 1.00 0.00 O HETATM 0 HN2A GF2 A 4 -8.461 -6.312 4.556 1.00 0.00 H new HETATM 0 H5'A GF2 A 4 -10.377 -7.484 -4.434 1.00 0.00 H new HETATM 0 HN2 GF2 A 4 -6.819 -6.270 5.205 1.00 0.00 H new HETATM 0 HN1 GF2 A 4 -5.055 -6.568 3.927 1.00 0.00 H new HETATM 0 H8 GF2 A 4 -6.982 -7.235 -2.206 1.00 0.00 H new HETATM 0 H5' GF2 A 4 -10.505 -5.747 -4.624 1.00 0.00 H new HETATM 0 H4' GF2 A 4 -11.384 -6.570 -2.469 1.00 0.00 H new HETATM 0 H3' GF2 A 4 -9.174 -4.541 -2.530 1.00 0.00 H new HETATM 0 H2' GF2 A 4 -8.897 -4.602 -0.262 1.00 0.00 H new HETATM 0 H1' GF2 A 4 -9.869 -7.375 0.214 1.00 0.00 H new HETATM 125 F AF2 A 5 -9.272 -1.222 4.716 1.00 0.00 F HETATM 126 P AF2 A 5 -10.588 -2.394 -1.904 1.00 0.00 P HETATM 127 N1 AF2 A 5 -3.727 -3.267 4.364 1.00 0.00 N HETATM 128 C2 AF2 A 5 -4.785 -2.966 5.114 1.00 0.00 C HETATM 129 N3 AF2 A 5 -6.054 -2.863 4.724 1.00 0.00 N HETATM 130 C4 AF2 A 5 -6.196 -3.091 3.389 1.00 0.00 C HETATM 131 C5 AF2 A 5 -5.204 -3.393 2.492 1.00 0.00 C HETATM 132 C6 AF2 A 5 -3.913 -3.503 3.059 1.00 0.00 C HETATM 133 N6 AF2 A 5 -2.831 -3.837 2.371 1.00 0.00 N HETATM 134 N7 AF2 A 5 -5.714 -3.510 1.194 1.00 0.00 N HETATM 135 C8 AF2 A 5 -6.984 -3.276 1.360 1.00 0.00 C HETATM 136 N9 AF2 A 5 -7.362 -3.046 2.659 1.00 0.00 N HETATM 137 C1' AF2 A 5 -8.726 -2.760 3.166 1.00 0.00 C HETATM 138 OP2 AF2 A 5 -9.273 -2.117 -2.526 1.00 0.00 O HETATM 139 C2' AF2 A 5 -8.925 -1.271 3.381 1.00 0.00 C HETATM 140 OP1 AF2 A 5 -11.724 -1.501 -2.244 1.00 0.00 O HETATM 141 C3' AF2 A 5 -9.961 -0.868 2.338 1.00 0.00 C HETATM 142 O3' AF2 A 5 -10.728 0.274 2.704 1.00 0.00 O HETATM 143 C4' AF2 A 5 -10.685 -2.181 2.062 1.00 0.00 C HETATM 144 O4' AF2 A 5 -9.642 -3.145 2.153 1.00 0.00 O HETATM 145 C5' AF2 A 5 -11.301 -2.244 0.654 1.00 0.00 C HETATM 146 O5' AF2 A 5 -10.281 -2.176 -0.340 1.00 0.00 O HETATM 0 HN6A AF2 A 5 -2.901 -4.030 1.372 1.00 0.00 H new HETATM 0 H5'A AF2 A 5 -11.868 -3.168 0.539 1.00 0.00 H new HETATM 0 HN6 AF2 A 5 -1.928 -3.901 2.840 1.00 0.00 H new HETATM 0 H8 AF2 A 5 -7.692 -3.264 0.531 1.00 0.00 H new HETATM 0 H5' AF2 A 5 -12.003 -1.421 0.520 1.00 0.00 H new HETATM 0 H4' AF2 A 5 -11.516 -2.328 2.752 1.00 0.00 H new HETATM 0 H3' AF2 A 5 -9.552 -0.472 1.408 1.00 0.00 H new HETATM 0 H2' AF2 A 5 -8.103 -0.571 3.236 1.00 0.00 H new HETATM 0 H2 AF2 A 5 -4.590 -2.782 6.171 1.00 0.00 H new HETATM 0 H1' AF2 A 5 -8.873 -3.292 4.106 1.00 0.00 H new HETATM 157 F AF2 A 6 -5.213 1.892 7.487 1.00 0.00 F HETATM 158 P AF2 A 6 -10.090 1.748 2.552 1.00 0.00 P HETATM 159 N1 AF2 A 6 -0.922 -0.455 4.456 1.00 0.00 N HETATM 160 C2 AF2 A 6 -1.479 -0.152 5.624 1.00 0.00 C HETATM 161 N3 AF2 A 6 -2.758 0.128 5.864 1.00 0.00 N HETATM 162 C4 AF2 A 6 -3.517 0.078 4.734 1.00 0.00 C HETATM 163 C5 AF2 A 6 -3.082 -0.200 3.464 1.00 0.00 C HETATM 164 C6 AF2 A 6 -1.703 -0.493 3.370 1.00 0.00 C HETATM 165 N6 AF2 A 6 -1.086 -0.812 2.245 1.00 0.00 N HETATM 166 N7 AF2 A 6 -4.132 -0.110 2.542 1.00 0.00 N HETATM 167 C8 AF2 A 6 -5.150 0.214 3.290 1.00 0.00 C HETATM 168 N9 AF2 A 6 -4.874 0.296 4.631 1.00 0.00 N HETATM 169 C1' AF2 A 6 -5.812 0.636 5.732 1.00 0.00 C HETATM 170 OP2 AF2 A 6 -9.430 1.830 1.231 1.00 0.00 O HETATM 171 C2' AF2 A 6 -5.587 2.063 6.172 1.00 0.00 C HETATM 172 OP1 AF2 A 6 -11.059 2.805 2.912 1.00 0.00 O HETATM 173 C3' AF2 A 6 -6.880 2.805 5.821 1.00 0.00 C HETATM 174 O3' AF2 A 6 -7.139 3.970 6.612 1.00 0.00 O HETATM 175 C4' AF2 A 6 -7.880 1.654 5.855 1.00 0.00 C HETATM 176 O4' AF2 A 6 -7.137 0.604 5.239 1.00 0.00 O HETATM 177 C5' AF2 A 6 -9.175 1.886 5.058 1.00 0.00 C HETATM 178 O5' AF2 A 6 -8.919 1.918 3.651 1.00 0.00 O HETATM 0 HN6A AF2 A 6 -1.611 -0.863 1.372 1.00 0.00 H new HETATM 0 H5'A AF2 A 6 -9.890 1.094 5.282 1.00 0.00 H new HETATM 0 HN6 AF2 A 6 -0.085 -1.007 2.250 1.00 0.00 H new HETATM 0 H8 AF2 A 6 -6.142 0.405 2.881 1.00 0.00 H new HETATM 0 H5' AF2 A 6 -9.633 2.825 5.368 1.00 0.00 H new HETATM 0 H4' AF2 A 6 -8.230 1.477 6.872 1.00 0.00 H new HETATM 0 H3' AF2 A 6 -6.889 3.315 4.858 1.00 0.00 H new HETATM 0 H2' AF2 A 6 -4.820 2.685 5.711 1.00 0.00 H new HETATM 0 H2 AF2 A 6 -0.811 -0.130 6.485 1.00 0.00 H new HETATM 0 H1' AF2 A 6 -5.652 -0.071 6.546 1.00 0.00 H new HETATM 189 P TAF A 7 -6.280 5.335 6.390 1.00 0.00 P HETATM 190 OP1 TAF A 7 -6.807 6.425 7.238 1.00 0.00 O HETATM 191 OP2 TAF A 7 -6.172 5.536 4.927 1.00 0.00 O HETATM 192 O5' TAF A 7 -4.815 4.993 6.962 1.00 0.00 O HETATM 193 N1 TAF A 7 -1.189 3.391 5.896 1.00 0.00 N HETATM 194 C6 TAF A 7 -2.205 3.468 4.965 1.00 0.00 C HETATM 195 C2 TAF A 7 0.101 3.000 5.524 1.00 0.00 C HETATM 196 O2 TAF A 7 1.053 2.984 6.296 1.00 0.00 O HETATM 197 N3 TAF A 7 0.288 2.658 4.206 1.00 0.00 N HETATM 198 C4 TAF A 7 -0.665 2.738 3.211 1.00 0.00 C HETATM 199 O4 TAF A 7 -0.345 2.448 2.065 1.00 0.00 O HETATM 200 C5 TAF A 7 -1.983 3.183 3.656 1.00 0.00 C HETATM 201 C5M TAF A 7 -3.111 3.359 2.655 1.00 0.00 C HETATM 202 F2' TAF A 7 -2.064 5.996 6.194 1.00 0.00 F HETATM 203 C2' TAF A 7 -1.428 5.444 7.295 1.00 0.00 C HETATM 204 C5' TAF A 7 -4.609 4.730 8.349 1.00 0.00 C HETATM 205 C4' TAF A 7 -3.136 4.440 8.694 1.00 0.00 C HETATM 206 O4' TAF A 7 -2.585 3.435 7.851 1.00 0.00 O HETATM 207 C1' TAF A 7 -1.379 3.915 7.274 1.00 0.00 C HETATM 208 C3' TAF A 7 -2.281 5.695 8.522 1.00 0.00 C HETATM 209 O3' TAF A 7 -1.559 6.123 9.680 1.00 0.00 O HETATM 0 H5'' TAF A 7 -4.951 5.586 8.930 1.00 0.00 H new HETATM 0 H73 TAF A 7 -3.947 2.717 2.933 1.00 0.00 H new HETATM 0 H72 TAF A 7 -3.437 4.399 2.653 1.00 0.00 H new HETATM 0 H71 TAF A 7 -2.760 3.087 1.660 1.00 0.00 H new HETATM 0 H6 TAF A 7 -3.204 3.763 5.286 1.00 0.00 H new HETATM 0 H5' TAF A 7 -5.221 3.878 8.646 1.00 0.00 H new HETATM 0 H4' TAF A 7 -3.125 4.102 9.730 1.00 0.00 H new HETATM 0 H3' TAF A 7 -2.923 6.564 8.380 1.00 0.00 H new HETATM 0 H3 TAF A 7 1.211 2.315 3.940 1.00 0.00 H new HETATM 0 H2' TAF A 7 -0.430 5.883 7.293 1.00 0.00 H new HETATM 0 H1' TAF A 7 -0.523 3.564 7.850 1.00 0.00 H new HETATM 221 P UFT A 8 -1.012 7.646 9.777 1.00 0.00 P HETATM 222 OP1 UFT A 8 -0.729 7.987 11.182 1.00 0.00 O HETATM 223 OP2 UFT A 8 -1.970 8.467 8.978 1.00 0.00 O HETATM 224 O5' UFT A 8 0.399 7.553 9.002 1.00 0.00 O HETATM 225 N1 UFT A 8 2.507 5.786 4.969 1.00 0.00 N HETATM 226 C6 UFT A 8 1.210 6.091 4.601 1.00 0.00 C HETATM 227 C2 UFT A 8 3.408 5.271 4.036 1.00 0.00 C HETATM 228 O2 UFT A 8 4.574 4.994 4.300 1.00 0.00 O HETATM 229 N3 UFT A 8 2.941 5.092 2.756 1.00 0.00 N HETATM 230 C4 UFT A 8 1.678 5.376 2.303 1.00 0.00 C HETATM 231 O4 UFT A 8 1.409 5.203 1.120 1.00 0.00 O HETATM 232 C5 UFT A 8 0.787 5.899 3.322 1.00 0.00 C HETATM 233 F2' UFT A 8 4.817 7.390 6.115 1.00 0.00 F HETATM 234 C2' UFT A 8 3.490 7.537 6.442 1.00 0.00 C HETATM 235 C5' UFT A 8 1.477 6.767 9.513 1.00 0.00 C HETATM 236 C4' UFT A 8 2.577 6.572 8.462 1.00 0.00 C HETATM 237 O4' UFT A 8 2.059 5.900 7.326 1.00 0.00 O HETATM 238 C1' UFT A 8 3.031 6.089 6.325 1.00 0.00 C HETATM 239 C3' UFT A 8 3.111 7.881 7.886 1.00 0.00 C HETATM 240 O3' UFT A 8 4.116 8.523 8.662 1.00 0.00 O HETATM 0 H5'A UFT A 8 1.896 7.252 10.395 1.00 0.00 H new HETATM 0 HN3 UFT A 8 3.598 4.710 2.076 1.00 0.00 H new HETATM 0 H6 UFT A 8 0.519 6.490 5.343 1.00 0.00 H new HETATM 0 H5' UFT A 8 1.101 5.795 9.832 1.00 0.00 H new HETATM 0 H5 UFT A 8 -0.242 6.143 3.058 1.00 0.00 H new HETATM 0 H4' UFT A 8 3.360 6.026 8.989 1.00 0.00 H new HETATM 0 H3' UFT A 8 2.357 8.668 7.911 1.00 0.00 H new HETATM 0 H2' UFT A 8 3.086 8.345 5.833 1.00 0.00 H new HETATM 0 H1' UFT A 8 3.865 5.401 6.466 1.00 0.00 H new HETATM 250 P CFL A 9 4.565 10.041 8.397 1.00 0.00 P HETATM 251 O1P CFL A 9 5.283 10.460 9.611 1.00 0.00 O HETATM 252 O2P CFL A 9 3.310 10.761 8.106 1.00 0.00 O HETATM 253 O5' CFL A 9 5.555 10.070 7.121 1.00 0.00 O HETATM 254 C5' CFL A 9 6.831 9.434 7.185 1.00 0.00 C HETATM 255 C4' CFL A 9 7.657 9.459 5.880 1.00 0.00 C HETATM 256 O4' CFL A 9 7.127 8.625 4.855 1.00 0.00 O HETATM 257 C3' CFL A 9 7.801 10.870 5.307 1.00 0.00 C HETATM 258 O3' CFL A 9 9.155 11.326 5.205 1.00 0.00 O HETATM 259 C2' CFL A 9 7.031 10.821 3.990 1.00 0.00 C HETATM 260 C1' CFL A 9 7.106 9.341 3.628 1.00 0.00 C HETATM 261 N1 CFL A 9 6.008 8.822 2.754 1.00 0.00 N HETATM 262 C2 CFL A 9 6.313 8.315 1.481 1.00 0.00 C HETATM 263 O2 CFL A 9 7.471 8.239 1.071 1.00 0.00 O HETATM 264 N3 CFL A 9 5.323 7.902 0.652 1.00 0.00 N HETATM 265 C4 CFL A 9 4.066 7.986 1.059 1.00 0.00 C HETATM 266 N4 CFL A 9 3.146 7.582 0.219 1.00 0.00 N HETATM 267 C5 CFL A 9 3.699 8.439 2.362 1.00 0.00 C HETATM 268 C6 CFL A 9 4.704 8.838 3.182 1.00 0.00 C HETATM 269 F CFL A 9 5.735 11.216 4.208 1.00 0.00 F HETATM 0 HN42 CFL A 9 2.161 7.625 0.482 1.00 0.00 H new HETATM 0 HN41 CFL A 9 3.414 7.224 -0.698 1.00 0.00 H new HETATM 0 H5'2 CFL A 9 7.415 9.910 7.972 1.00 0.00 H new HETATM 0 H5'1 CFL A 9 6.684 8.395 7.481 1.00 0.00 H new HETATM 0 H6 CFL A 9 4.473 9.175 4.192 1.00 0.00 H new HETATM 0 H5 CFL A 9 2.658 8.463 2.684 1.00 0.00 H new HETATM 0 H4' CFL A 9 8.632 9.075 6.179 1.00 0.00 H new HETATM 0 H3' CFL A 9 7.388 11.628 5.973 1.00 0.00 H new HETATM 0 H2' CFL A 9 7.421 11.471 3.206 1.00 0.00 H new HETATM 0 H1' CFL A 9 8.003 9.202 3.025 1.00 0.00 H new HETATM 280 F GF2 A 10 9.046 12.612 -2.024 1.00 0.00 F HETATM 281 P GF2 A 10 9.512 12.866 4.827 1.00 0.00 P HETATM 282 N1 GF2 A 10 5.020 9.705 -3.920 1.00 0.00 N HETATM 283 C2 GF2 A 10 6.367 9.892 -3.949 1.00 0.00 C HETATM 284 N2 GF2 A 10 6.995 9.720 -5.086 1.00 0.00 N HETATM 285 N3 GF2 A 10 7.089 10.305 -2.914 1.00 0.00 N HETATM 286 C4 GF2 A 10 6.330 10.599 -1.820 1.00 0.00 C HETATM 287 C5 GF2 A 10 4.963 10.484 -1.693 1.00 0.00 C HETATM 288 C6 GF2 A 10 4.223 9.963 -2.816 1.00 0.00 C HETATM 289 O6 GF2 A 10 3.018 9.757 -2.947 1.00 0.00 O HETATM 290 N7 GF2 A 10 4.563 10.986 -0.445 1.00 0.00 N HETATM 291 C8 GF2 A 10 5.682 11.355 0.123 1.00 0.00 C HETATM 292 N9 GF2 A 10 6.797 11.123 -0.640 1.00 0.00 N HETATM 293 C1' GF2 A 10 8.224 11.394 -0.360 1.00 0.00 C HETATM 294 OP2 GF2 A 10 8.364 13.690 5.281 1.00 0.00 O HETATM 295 C2' GF2 A 10 8.663 12.803 -0.720 1.00 0.00 C HETATM 296 OP1 GF2 A 10 10.882 13.187 5.268 1.00 0.00 O HETATM 297 C3' GF2 A 10 9.752 13.085 0.307 1.00 0.00 C HETATM 298 O3' GF2 A 10 10.936 13.658 -0.235 1.00 0.00 O HETATM 299 C4' GF2 A 10 9.905 11.769 1.063 1.00 0.00 C HETATM 300 O4' GF2 A 10 8.598 11.201 0.989 1.00 0.00 O HETATM 301 C5' GF2 A 10 10.370 11.972 2.510 1.00 0.00 C HETATM 302 O5' GF2 A 10 9.487 12.819 3.226 1.00 0.00 O HETATM 0 HN2A GF2 A 10 8.005 9.854 -5.136 1.00 0.00 H new HETATM 0 H5'A GF2 A 10 10.435 11.006 3.011 1.00 0.00 H new HETATM 0 HN2 GF2 A 10 6.474 9.452 -5.921 1.00 0.00 H new HETATM 0 HN1 GF2 A 10 4.568 9.353 -4.764 1.00 0.00 H new HETATM 0 H8 GF2 A 10 5.724 11.807 1.114 1.00 0.00 H new HETATM 0 H5' GF2 A 10 11.372 12.402 2.514 1.00 0.00 H new HETATM 0 H4' GF2 A 10 10.674 11.125 0.636 1.00 0.00 H new HETATM 0 H3' GF2 A 10 9.483 13.883 0.999 1.00 0.00 H new HETATM 0 H2' GF2 A 10 7.983 13.654 -0.682 1.00 0.00 H new HETATM 0 H1' GF2 A 10 8.720 10.661 -0.997 1.00 0.00 H new HETATM 313 P CFL A 11 10.964 15.159 -0.812 1.00 0.00 P HETATM 314 O1P CFL A 11 12.376 15.568 -0.718 1.00 0.00 O HETATM 315 O2P CFL A 11 10.033 15.902 0.063 1.00 0.00 O HETATM 316 O5' CFL A 11 10.442 15.147 -2.344 1.00 0.00 O HETATM 317 C5' CFL A 11 11.192 14.510 -3.375 1.00 0.00 C HETATM 318 C4' CFL A 11 10.504 14.361 -4.752 1.00 0.00 C HETATM 319 O4' CFL A 11 9.375 13.496 -4.703 1.00 0.00 O HETATM 320 C3' CFL A 11 10.044 15.638 -5.478 1.00 0.00 C HETATM 321 O3' CFL A 11 10.463 15.550 -6.858 1.00 0.00 O HETATM 322 C2' CFL A 11 8.535 15.642 -5.270 1.00 0.00 C HETATM 323 C1' CFL A 11 8.287 14.134 -5.361 1.00 0.00 C HETATM 324 N1 CFL A 11 6.992 13.708 -4.768 1.00 0.00 N HETATM 325 C2 CFL A 11 6.016 13.151 -5.597 1.00 0.00 C HETATM 326 O2 CFL A 11 6.236 12.920 -6.782 1.00 0.00 O HETATM 327 N3 CFL A 11 4.781 12.880 -5.110 1.00 0.00 N HETATM 328 C4 CFL A 11 4.523 13.118 -3.835 1.00 0.00 C HETATM 329 N4 CFL A 11 3.305 12.851 -3.434 1.00 0.00 N HETATM 330 C5 CFL A 11 5.508 13.608 -2.927 1.00 0.00 C HETATM 331 C6 CFL A 11 6.729 13.911 -3.440 1.00 0.00 C HETATM 332 F CFL A 11 8.183 16.186 -4.048 1.00 0.00 F HETATM 0 HN42 CFL A 11 3.041 13.012 -2.462 1.00 0.00 H new HETATM 0 HN41 CFL A 11 2.620 12.482 -4.094 1.00 0.00 H new HETATM 0 H5'2 CFL A 11 12.117 15.070 -3.517 1.00 0.00 H new HETATM 0 H5'1 CFL A 11 11.471 13.516 -3.026 1.00 0.00 H new HETATM 0 H6 CFL A 11 7.504 14.318 -2.790 1.00 0.00 H new HETATM 0 H5 CFL A 11 5.290 13.734 -1.866 1.00 0.00 H new HETATM 0 H4' CFL A 11 11.332 13.954 -5.332 1.00 0.00 H new HETATM 0 H3' CFL A 11 10.467 16.574 -5.112 1.00 0.00 H new HETATM 0 H2' CFL A 11 7.953 16.245 -5.967 1.00 0.00 H new HETATM 0 H1' CFL A 11 8.223 13.849 -6.411 1.00 0.00 H new HETATM 343 F GF2 A 12 5.105 19.266 -7.812 1.00 0.00 F HETATM 344 P GF2 A 12 9.823 16.414 -8.079 1.00 0.00 P HETATM 345 N1 GF2 A 12 0.180 15.045 -6.790 1.00 0.00 N HETATM 346 C2 GF2 A 12 0.730 15.316 -7.994 1.00 0.00 C HETATM 347 N2 GF2 A 12 0.000 14.945 -9.015 1.00 0.00 N HETATM 348 N3 GF2 A 12 1.952 15.802 -8.188 1.00 0.00 N HETATM 349 C4 GF2 A 12 2.645 15.962 -7.017 1.00 0.00 C HETATM 350 C5 GF2 A 12 2.190 15.688 -5.742 1.00 0.00 C HETATM 351 C6 GF2 A 12 0.840 15.197 -5.587 1.00 0.00 C HETATM 352 O6 GF2 A 12 0.196 14.896 -4.585 1.00 0.00 O HETATM 353 N7 GF2 A 12 3.208 15.941 -4.820 1.00 0.00 N HETATM 354 C8 GF2 A 12 4.218 16.331 -5.549 1.00 0.00 C HETATM 355 N9 GF2 A 12 3.943 16.413 -6.900 1.00 0.00 N HETATM 356 C1' GF2 A 12 4.760 16.858 -8.069 1.00 0.00 C HETATM 357 OP2 GF2 A 12 9.445 17.749 -7.570 1.00 0.00 O HETATM 358 C2' GF2 A 12 5.728 18.035 -7.938 1.00 0.00 C HETATM 359 OP1 GF2 A 12 10.694 16.279 -9.263 1.00 0.00 O HETATM 360 C3' GF2 A 12 6.528 17.908 -9.237 1.00 0.00 C HETATM 361 O3' GF2 A 12 5.897 18.610 -10.307 1.00 0.00 O HETATM 362 C4' GF2 A 12 6.441 16.392 -9.526 1.00 0.00 C HETATM 363 O4' GF2 A 12 5.586 15.817 -8.544 1.00 0.00 O HETATM 364 C5' GF2 A 12 7.771 15.627 -9.592 1.00 0.00 C HETATM 365 O5' GF2 A 12 8.465 15.584 -8.354 1.00 0.00 O HETATM 0 HO3' GF2 A 12 5.224 19.223 -9.944 1.00 0.00 H new HETATM 0 HN2A GF2 A 12 0.332 15.108 -9.966 1.00 0.00 H new HETATM 0 H5'A GF2 A 12 7.578 14.608 -9.926 1.00 0.00 H new HETATM 0 HN2 GF2 A 12 -0.901 14.493 -8.860 1.00 0.00 H new HETATM 0 HN1 GF2 A 12 -0.782 14.707 -6.769 1.00 0.00 H new HETATM 0 H8 GF2 A 12 5.194 16.571 -5.128 1.00 0.00 H new HETATM 0 H5' GF2 A 12 8.411 16.092 -10.342 1.00 0.00 H new HETATM 0 H4' GF2 A 12 6.050 16.296 -10.539 1.00 0.00 H new HETATM 0 H3' GF2 A 12 7.538 18.309 -9.150 1.00 0.00 H new HETATM 0 H2' GF2 A 12 6.331 17.996 -7.031 1.00 0.00 H new HETATM 0 H1' GF2 A 12 3.944 17.181 -8.715 1.00 0.00 H new TER 377 GF2 A 12 HETATM 378 N1 CFZ B 13 -4.240 13.046 -8.630 1.00 0.00 N HETATM 379 C2 CFZ B 13 -3.207 14.003 -8.529 1.00 0.00 C HETATM 380 O2 CFZ B 13 -2.981 14.797 -9.450 1.00 0.00 O HETATM 381 N3 CFZ B 13 -2.463 14.044 -7.366 1.00 0.00 N HETATM 382 C4 CFZ B 13 -2.766 13.232 -6.338 1.00 0.00 C HETATM 383 N4 CFZ B 13 -2.079 13.316 -5.215 1.00 0.00 N HETATM 384 C5 CFZ B 13 -3.854 12.314 -6.418 1.00 0.00 C HETATM 385 C6 CFZ B 13 -4.553 12.241 -7.570 1.00 0.00 C HETATM 386 C1' CFZ B 13 -4.963 12.837 -9.912 1.00 0.00 C HETATM 387 C2' CFZ B 13 -4.367 11.717 -10.766 1.00 0.00 C HETATM 388 F2' CFZ B 13 -3.589 12.458 -11.633 1.00 0.00 F HETATM 389 C3' CFZ B 13 -5.612 10.952 -11.242 1.00 0.00 C HETATM 390 O3' CFZ B 13 -5.507 10.352 -12.532 1.00 0.00 O HETATM 391 C4' CFZ B 13 -6.714 11.988 -11.044 1.00 0.00 C HETATM 392 O4' CFZ B 13 -6.345 12.552 -9.783 1.00 0.00 O HETATM 393 C5' CFZ B 13 -8.135 11.412 -10.983 1.00 0.00 C HETATM 394 O5' CFZ B 13 -8.311 10.639 -9.811 1.00 0.00 O HETATM 0 HN4A CFZ B 13 -2.305 12.702 -4.432 1.00 0.00 H new HETATM 0 H5'A CFZ B 13 -8.863 12.223 -11.002 1.00 0.00 H new HETATM 0 HN4 CFZ B 13 -1.322 13.995 -5.130 1.00 0.00 H new HETATM 0 H6 CFZ B 13 -5.377 11.532 -7.656 1.00 0.00 H new HETATM 0 H5' CFZ B 13 -8.321 10.796 -11.863 1.00 0.00 H new HETATM 0 H5 CFZ B 13 -4.115 11.685 -5.567 1.00 0.00 H new HETATM 0 H4' CFZ B 13 -6.772 12.685 -11.880 1.00 0.00 H new HETATM 0 H3' CFZ B 13 -5.807 10.038 -10.681 1.00 0.00 H new HETATM 0 H2' CFZ B 13 -3.718 10.931 -10.379 1.00 0.00 H new HETATM 0 H1' CFZ B 13 -4.842 13.807 -10.395 1.00 0.00 H new HETATM 406 F GF2 B 14 1.983 9.903 -12.240 1.00 0.00 F HETATM 407 P GF2 B 14 -4.766 8.926 -12.715 1.00 0.00 P HETATM 408 N1 GF2 B 14 2.969 12.230 -7.193 1.00 0.00 N HETATM 409 C2 GF2 B 14 3.310 12.165 -8.509 1.00 0.00 C HETATM 410 N2 GF2 B 14 4.557 12.390 -8.836 1.00 0.00 N HETATM 411 N3 GF2 B 14 2.474 11.829 -9.487 1.00 0.00 N HETATM 412 C4 GF2 B 14 1.228 11.528 -9.028 1.00 0.00 C HETATM 413 C5 GF2 B 14 0.780 11.555 -7.726 1.00 0.00 C HETATM 414 C6 GF2 B 14 1.707 11.950 -6.701 1.00 0.00 C HETATM 415 O6 GF2 B 14 1.538 12.068 -5.490 1.00 0.00 O HETATM 416 N7 GF2 B 14 -0.560 11.156 -7.678 1.00 0.00 N HETATM 417 C8 GF2 B 14 -0.856 10.896 -8.922 1.00 0.00 C HETATM 418 N9 GF2 B 14 0.177 11.113 -9.799 1.00 0.00 N HETATM 419 C1' GF2 B 14 0.228 10.922 -11.263 1.00 0.00 C HETATM 420 OP2 GF2 B 14 -5.149 8.020 -11.619 1.00 0.00 O HETATM 421 C2' GF2 B 14 0.785 9.559 -11.651 1.00 0.00 C HETATM 422 OP1 GF2 B 14 -4.848 8.429 -14.107 1.00 0.00 O HETATM 423 C3' GF2 B 14 -0.310 8.944 -12.519 1.00 0.00 C HETATM 424 O3' GF2 B 14 0.161 8.053 -13.529 1.00 0.00 O HETATM 425 C4' GF2 B 14 -1.043 10.203 -12.980 1.00 0.00 C HETATM 426 O4' GF2 B 14 -1.073 10.995 -11.802 1.00 0.00 O HETATM 427 C5' GF2 B 14 -2.463 9.952 -13.482 1.00 0.00 C HETATM 428 O5' GF2 B 14 -3.213 9.240 -12.509 1.00 0.00 O HETATM 0 HN2A GF2 B 14 4.843 12.348 -9.814 1.00 0.00 H new HETATM 0 H5'A GF2 B 14 -2.951 10.901 -13.703 1.00 0.00 H new HETATM 0 HN2 GF2 B 14 5.243 12.607 -8.113 1.00 0.00 H new HETATM 0 HN1 GF2 B 14 3.691 12.503 -6.526 1.00 0.00 H new HETATM 0 H8 GF2 B 14 -1.836 10.538 -9.237 1.00 0.00 H new HETATM 0 H5' GF2 B 14 -2.432 9.385 -14.413 1.00 0.00 H new HETATM 0 H4' GF2 B 14 -0.542 10.661 -13.833 1.00 0.00 H new HETATM 0 H3' GF2 B 14 -0.970 8.244 -12.006 1.00 0.00 H new HETATM 0 H2' GF2 B 14 1.003 8.803 -10.896 1.00 0.00 H new HETATM 0 H1' GF2 B 14 0.877 11.706 -11.652 1.00 0.00 H new HETATM 439 P CFZ B 15 0.627 6.542 -13.173 1.00 0.00 P HETATM 440 N1 CFZ B 15 3.911 8.423 -8.644 1.00 0.00 N HETATM 441 C2 CFZ B 15 4.466 8.912 -7.460 1.00 0.00 C HETATM 442 O2 CFZ B 15 5.656 9.209 -7.397 1.00 0.00 O HETATM 443 N3 CFZ B 15 3.700 9.049 -6.351 1.00 0.00 N HETATM 444 C4 CFZ B 15 2.432 8.675 -6.393 1.00 0.00 C HETATM 445 N4 CFZ B 15 1.736 8.834 -5.295 1.00 0.00 N HETATM 446 C5 CFZ B 15 1.819 8.146 -7.575 1.00 0.00 C HETATM 447 C6 CFZ B 15 2.602 8.024 -8.677 1.00 0.00 C HETATM 448 C1' CFZ B 15 4.781 8.255 -9.841 1.00 0.00 C HETATM 449 O1P CFZ B 15 0.970 5.839 -14.424 1.00 0.00 O HETATM 450 C2' CFZ B 15 5.419 6.888 -9.870 1.00 0.00 C HETATM 451 F2' CFZ B 15 6.767 7.136 -9.975 1.00 0.00 F HETATM 452 O2P CFZ B 15 -0.423 5.970 -12.308 1.00 0.00 O HETATM 453 C3' CFZ B 15 4.724 6.178 -11.037 1.00 0.00 C HETATM 454 O3' CFZ B 15 5.519 5.188 -11.678 1.00 0.00 O HETATM 455 C4' CFZ B 15 4.343 7.357 -11.920 1.00 0.00 C HETATM 456 O4' CFZ B 15 3.972 8.372 -11.004 1.00 0.00 O HETATM 457 C5' CFZ B 15 3.216 7.057 -12.925 1.00 0.00 C HETATM 458 O5' CFZ B 15 1.995 6.651 -12.307 1.00 0.00 O HETATM 0 HN4A CFZ B 15 0.753 8.563 -5.270 1.00 0.00 H new HETATM 0 H5'A CFZ B 15 3.031 7.946 -13.527 1.00 0.00 H new HETATM 0 HN4 CFZ B 15 2.177 9.229 -4.464 1.00 0.00 H new HETATM 0 H6 CFZ B 15 2.186 7.606 -9.594 1.00 0.00 H new HETATM 0 H5' CFZ B 15 3.547 6.274 -13.607 1.00 0.00 H new HETATM 0 H5 CFZ B 15 0.769 7.854 -7.589 1.00 0.00 H new HETATM 0 H4' CFZ B 15 5.176 7.641 -12.563 1.00 0.00 H new HETATM 0 H3' CFZ B 15 3.871 5.571 -10.735 1.00 0.00 H new HETATM 0 H2' CFZ B 15 5.309 6.231 -9.007 1.00 0.00 H new HETATM 0 H1' CFZ B 15 5.562 9.015 -9.805 1.00 0.00 H new HETATM 469 F GF2 B 16 9.891 4.654 -5.480 1.00 0.00 F HETATM 470 P GF2 B 16 5.707 3.716 -11.054 1.00 0.00 P HETATM 471 N1 GF2 B 16 6.044 6.927 -1.917 1.00 0.00 N HETATM 472 C2 GF2 B 16 7.351 6.885 -2.288 1.00 0.00 C HETATM 473 N2 GF2 B 16 8.240 7.204 -1.377 1.00 0.00 N HETATM 474 N3 GF2 B 16 7.779 6.546 -3.505 1.00 0.00 N HETATM 475 C4 GF2 B 16 6.756 6.263 -4.369 1.00 0.00 C HETATM 476 C5 GF2 B 16 5.405 6.280 -4.091 1.00 0.00 C HETATM 477 C6 GF2 B 16 4.990 6.620 -2.760 1.00 0.00 C HETATM 478 O6 GF2 B 16 3.862 6.679 -2.280 1.00 0.00 O HETATM 479 N7 GF2 B 16 4.668 5.930 -5.228 1.00 0.00 N HETATM 480 C8 GF2 B 16 5.582 5.702 -6.127 1.00 0.00 C HETATM 481 N9 GF2 B 16 6.869 5.886 -5.689 1.00 0.00 N HETATM 482 C1' GF2 B 16 8.120 5.635 -6.441 1.00 0.00 C HETATM 483 OP2 GF2 B 16 4.326 3.295 -10.707 1.00 0.00 O HETATM 484 C2' GF2 B 16 8.709 4.279 -6.080 1.00 0.00 C HETATM 485 OP1 GF2 B 16 6.477 2.922 -12.028 1.00 0.00 O HETATM 486 C3' GF2 B 16 8.723 3.487 -7.394 1.00 0.00 C HETATM 487 O3' GF2 B 16 9.828 2.586 -7.497 1.00 0.00 O HETATM 488 C4' GF2 B 16 8.626 4.600 -8.439 1.00 0.00 C HETATM 489 O4' GF2 B 16 7.798 5.574 -7.817 1.00 0.00 O HETATM 490 C5' GF2 B 16 7.996 4.195 -9.786 1.00 0.00 C HETATM 491 O5' GF2 B 16 6.594 3.920 -9.711 1.00 0.00 O HETATM 0 HN2A GF2 B 16 9.234 7.188 -1.606 1.00 0.00 H new HETATM 0 H5'A GF2 B 16 8.161 4.995 -10.508 1.00 0.00 H new HETATM 0 HN2 GF2 B 16 7.937 7.468 -0.439 1.00 0.00 H new HETATM 0 HN1 GF2 B 16 5.827 7.201 -0.959 1.00 0.00 H new HETATM 0 H8 GF2 B 16 5.344 5.391 -7.144 1.00 0.00 H new HETATM 0 H5' GF2 B 16 8.510 3.312 -10.165 1.00 0.00 H new HETATM 0 H4' GF2 B 16 9.630 4.930 -8.706 1.00 0.00 H new HETATM 0 H3' GF2 B 16 7.908 2.773 -7.512 1.00 0.00 H new HETATM 0 H2' GF2 B 16 8.206 3.601 -5.390 1.00 0.00 H new HETATM 0 H1' GF2 B 16 8.830 6.427 -6.205 1.00 0.00 H new HETATM 502 F AF2 B 17 10.504 2.286 0.084 1.00 0.00 F HETATM 503 P AF2 B 17 9.908 1.224 -6.621 1.00 0.00 P HETATM 504 N1 AF2 B 17 4.950 4.341 0.930 1.00 0.00 N HETATM 505 C2 AF2 B 17 6.216 4.330 1.330 1.00 0.00 C HETATM 506 N3 AF2 B 17 7.296 4.029 0.614 1.00 0.00 N HETATM 507 C4 AF2 B 17 6.978 3.702 -0.670 1.00 0.00 C HETATM 508 C5 AF2 B 17 5.722 3.656 -1.221 1.00 0.00 C HETATM 509 C6 AF2 B 17 4.678 4.015 -0.337 1.00 0.00 C HETATM 510 N6 AF2 B 17 3.394 4.076 -0.659 1.00 0.00 N HETATM 511 N7 AF2 B 17 5.778 3.248 -2.558 1.00 0.00 N HETATM 512 C8 AF2 B 17 7.052 3.061 -2.759 1.00 0.00 C HETATM 513 N9 AF2 B 17 7.848 3.340 -1.674 1.00 0.00 N HETATM 514 C1' AF2 B 17 9.327 3.233 -1.581 1.00 0.00 C HETATM 515 OP2 AF2 B 17 8.652 0.459 -6.708 1.00 0.00 O HETATM 516 C2' AF2 B 17 9.749 1.890 -1.002 1.00 0.00 C HETATM 517 OP1 AF2 B 17 11.137 0.457 -6.894 1.00 0.00 O HETATM 518 C3' AF2 B 17 10.458 1.168 -2.150 1.00 0.00 C HETATM 519 O3' AF2 B 17 11.419 0.184 -1.751 1.00 0.00 O HETATM 520 C4' AF2 B 17 10.942 2.356 -2.978 1.00 0.00 C HETATM 521 O4' AF2 B 17 9.849 3.267 -2.897 1.00 0.00 O HETATM 522 C5' AF2 B 17 11.206 2.013 -4.449 1.00 0.00 C HETATM 523 O5' AF2 B 17 10.000 1.584 -5.065 1.00 0.00 O HETATM 0 HN6A AF2 B 17 3.094 3.844 -1.606 1.00 0.00 H new HETATM 0 H5'A AF2 B 17 11.602 2.885 -4.970 1.00 0.00 H new HETATM 0 HN6 AF2 B 17 2.706 4.355 0.040 1.00 0.00 H new HETATM 0 H8 AF2 B 17 7.454 2.712 -3.710 1.00 0.00 H new HETATM 0 H5' AF2 B 17 11.960 1.230 -4.520 1.00 0.00 H new HETATM 0 H4' AF2 B 17 11.893 2.734 -2.602 1.00 0.00 H new HETATM 0 H3' AF2 B 17 9.830 0.494 -2.732 1.00 0.00 H new HETATM 0 H2' AF2 B 17 9.001 1.179 -0.651 1.00 0.00 H new HETATM 0 H2 AF2 B 17 6.392 4.600 2.371 1.00 0.00 H new HETATM 0 H1' AF2 B 17 9.688 4.045 -0.950 1.00 0.00 H new HETATM 534 F AF2 B 18 8.252 0.389 4.946 1.00 0.00 F HETATM 535 P AF2 B 18 10.930 -1.287 -1.275 1.00 0.00 P HETATM 536 N1 AF2 B 18 2.959 1.915 3.445 1.00 0.00 N HETATM 537 C2 AF2 B 18 3.979 1.899 4.303 1.00 0.00 C HETATM 538 N3 AF2 B 18 5.253 1.618 4.045 1.00 0.00 N HETATM 539 C4 AF2 B 18 5.455 1.295 2.739 1.00 0.00 C HETATM 540 C5 AF2 B 18 4.510 1.244 1.753 1.00 0.00 C HETATM 541 C6 AF2 B 18 3.212 1.614 2.163 1.00 0.00 C HETATM 542 N6 AF2 B 18 2.187 1.665 1.331 1.00 0.00 N HETATM 543 N7 AF2 B 18 5.064 0.821 0.539 1.00 0.00 N HETATM 544 C8 AF2 B 18 6.319 0.645 0.837 1.00 0.00 C HETATM 545 N9 AF2 B 18 6.642 0.944 2.139 1.00 0.00 N HETATM 546 C1' AF2 B 18 7.974 0.910 2.780 1.00 0.00 C HETATM 547 OP2 AF2 B 18 9.920 -1.768 -2.238 1.00 0.00 O HETATM 548 C2' AF2 B 18 8.114 -0.261 3.737 1.00 0.00 C HETATM 549 OP1 AF2 B 18 12.051 -2.180 -0.919 1.00 0.00 O HETATM 550 C3' AF2 B 18 9.281 -1.060 3.170 1.00 0.00 C HETATM 551 O3' AF2 B 18 10.006 -1.766 4.165 1.00 0.00 O HETATM 552 C4' AF2 B 18 10.031 -0.009 2.371 1.00 0.00 C HETATM 553 O4' AF2 B 18 8.953 0.706 1.786 1.00 0.00 O HETATM 554 C5' AF2 B 18 10.945 -0.566 1.270 1.00 0.00 C HETATM 555 O5' AF2 B 18 10.206 -1.065 0.151 1.00 0.00 O HETATM 0 HN6A AF2 B 18 2.320 1.446 0.344 1.00 0.00 H new HETATM 0 H5'A AF2 B 18 11.624 0.218 0.934 1.00 0.00 H new HETATM 0 HN6 AF2 B 18 1.263 1.923 1.676 1.00 0.00 H new HETATM 0 H8 AF2 B 18 7.053 0.290 0.114 1.00 0.00 H new HETATM 0 H5' AF2 B 18 11.560 -1.366 1.682 1.00 0.00 H new HETATM 0 H4' AF2 B 18 10.715 0.564 2.997 1.00 0.00 H new HETATM 0 H3' AF2 B 18 9.002 -1.899 2.532 1.00 0.00 H new HETATM 0 H2' AF2 B 18 7.321 -0.997 3.866 1.00 0.00 H new HETATM 0 H2 AF2 B 18 3.741 2.145 5.338 1.00 0.00 H new HETATM 0 H1' AF2 B 18 8.095 1.851 3.316 1.00 0.00 H new HETATM 566 P TAF B 19 9.423 -3.145 4.776 1.00 0.00 P HETATM 567 OP1 TAF B 19 10.438 -3.694 5.696 1.00 0.00 O HETATM 568 OP2 TAF B 19 8.986 -3.930 3.598 1.00 0.00 O HETATM 569 O5' TAF B 19 8.117 -2.714 5.651 1.00 0.00 O HETATM 570 N1 TAF B 19 3.962 -1.166 5.466 1.00 0.00 N HETATM 571 C6 TAF B 19 4.510 -1.694 4.316 1.00 0.00 C HETATM 572 C2 TAF B 19 2.605 -0.838 5.532 1.00 0.00 C HETATM 573 O2 TAF B 19 2.058 -0.432 6.552 1.00 0.00 O HETATM 574 N3 TAF B 19 1.872 -1.010 4.380 1.00 0.00 N HETATM 575 C4 TAF B 19 2.348 -1.507 3.185 1.00 0.00 C HETATM 576 O4 TAF B 19 1.571 -1.599 2.239 1.00 0.00 O HETATM 577 C5 TAF B 19 3.763 -1.873 3.195 1.00 0.00 C HETATM 578 C5M TAF B 19 4.417 -2.450 1.954 1.00 0.00 C HETATM 579 F2' TAF B 19 4.464 -3.490 6.644 1.00 0.00 F HETATM 580 C2' TAF B 19 4.680 -2.412 7.491 1.00 0.00 C HETATM 581 C5' TAF B 19 8.246 -1.999 6.882 1.00 0.00 C HETATM 582 C4' TAF B 19 6.918 -1.482 7.480 1.00 0.00 C HETATM 583 O4' TAF B 19 6.131 -0.856 6.472 1.00 0.00 O HETATM 584 C1' TAF B 19 4.758 -1.098 6.721 1.00 0.00 C HETATM 585 C3' TAF B 19 6.051 -2.551 8.166 1.00 0.00 C HETATM 586 O3' TAF B 19 5.989 -2.401 9.596 1.00 0.00 O HETATM 0 H5'' TAF B 19 8.728 -2.648 7.613 1.00 0.00 H new HETATM 0 H73 TAF B 19 5.231 -1.799 1.636 1.00 0.00 H new HETATM 0 H72 TAF B 19 4.811 -3.441 2.178 1.00 0.00 H new HETATM 0 H71 TAF B 19 3.679 -2.525 1.155 1.00 0.00 H new HETATM 0 H6 TAF B 19 5.564 -1.973 4.306 1.00 0.00 H new HETATM 0 H5' TAF B 19 8.911 -1.150 6.723 1.00 0.00 H new HETATM 0 H4' TAF B 19 7.225 -0.778 8.254 1.00 0.00 H new HETATM 0 H3' TAF B 19 6.470 -3.550 8.045 1.00 0.00 H new HETATM 0 H3 TAF B 19 0.887 -0.746 4.413 1.00 0.00 H new HETATM 0 H2' TAF B 19 3.852 -2.406 8.200 1.00 0.00 H new HETATM 0 H1' TAF B 19 4.330 -0.276 7.295 1.00 0.00 H new HETATM 598 P UFT B 20 5.454 -3.600 10.552 1.00 0.00 P HETATM 599 OP1 UFT B 20 5.723 -3.355 11.980 1.00 0.00 O HETATM 600 OP2 UFT B 20 5.895 -4.911 10.040 1.00 0.00 O HETATM 601 O5' UFT B 20 3.862 -3.673 10.450 1.00 0.00 O HETATM 602 N1 UFT B 20 0.218 -3.285 7.380 1.00 0.00 N HETATM 603 C6 UFT B 20 1.273 -3.850 6.697 1.00 0.00 C HETATM 604 C2 UFT B 20 -1.022 -3.120 6.760 1.00 0.00 C HETATM 605 O2 UFT B 20 -2.013 -2.684 7.335 1.00 0.00 O HETATM 606 N3 UFT B 20 -1.111 -3.489 5.438 1.00 0.00 N HETATM 607 C4 UFT B 20 -0.098 -4.022 4.678 1.00 0.00 C HETATM 608 O4 UFT B 20 -0.314 -4.325 3.511 1.00 0.00 O HETATM 609 C5 UFT B 20 1.148 -4.206 5.392 1.00 0.00 C HETATM 610 F2' UFT B 20 -1.389 -4.003 9.900 1.00 0.00 F HETATM 611 C2' UFT B 20 -0.068 -4.255 9.621 1.00 0.00 C HETATM 612 C5' UFT B 20 3.022 -2.790 11.177 1.00 0.00 C HETATM 613 C4' UFT B 20 1.583 -2.898 10.669 1.00 0.00 C HETATM 614 O4' UFT B 20 1.587 -2.651 9.266 1.00 0.00 O HETATM 615 C1' UFT B 20 0.294 -3.000 8.836 1.00 0.00 C HETATM 616 C3' UFT B 20 0.940 -4.285 10.774 1.00 0.00 C HETATM 617 O3' UFT B 20 0.393 -4.706 12.025 1.00 0.00 O HETATM 0 H5'A UFT B 20 3.060 -3.031 12.239 1.00 0.00 H new HETATM 0 HN3 UFT B 20 -2.012 -3.355 4.979 1.00 0.00 H new HETATM 0 H6 UFT B 20 2.220 -4.013 7.211 1.00 0.00 H new HETATM 0 H5' UFT B 20 3.378 -1.765 11.070 1.00 0.00 H new HETATM 0 H5 UFT B 20 2.003 -4.639 4.872 1.00 0.00 H new HETATM 0 H4' UFT B 20 1.027 -2.196 11.290 1.00 0.00 H new HETATM 0 H3' UFT B 20 1.704 -5.060 10.707 1.00 0.00 H new HETATM 0 H2' UFT B 20 -0.001 -5.248 9.178 1.00 0.00 H new HETATM 0 H1' UFT B 20 -0.389 -2.168 9.009 1.00 0.00 H new HETATM 627 P CFL B 21 -0.255 -6.182 12.207 1.00 0.00 P HETATM 628 O1P CFL B 21 -0.497 -6.520 13.622 1.00 0.00 O HETATM 629 O2P CFL B 21 0.509 -7.170 11.427 1.00 0.00 O HETATM 630 O5' CFL B 21 -1.728 -6.228 11.566 1.00 0.00 O HETATM 631 C5' CFL B 21 -2.794 -5.429 12.079 1.00 0.00 C HETATM 632 C4' CFL B 21 -4.099 -5.566 11.269 1.00 0.00 C HETATM 633 O4' CFL B 21 -3.915 -5.171 9.912 1.00 0.00 O HETATM 634 C3' CFL B 21 -4.660 -6.996 11.287 1.00 0.00 C HETATM 635 O3' CFL B 21 -5.949 -7.131 11.913 1.00 0.00 O HETATM 636 C2' CFL B 21 -4.599 -7.427 9.826 1.00 0.00 C HETATM 637 C1' CFL B 21 -4.524 -6.113 9.044 1.00 0.00 C HETATM 638 N1 CFL B 21 -3.799 -6.219 7.737 1.00 0.00 N HETATM 639 C2 CFL B 21 -4.543 -6.297 6.552 1.00 0.00 C HETATM 640 O2 CFL B 21 -5.770 -6.224 6.561 1.00 0.00 O HETATM 641 N3 CFL B 21 -3.925 -6.474 5.359 1.00 0.00 N HETATM 642 C4 CFL B 21 -2.610 -6.601 5.327 1.00 0.00 C HETATM 643 N4 CFL B 21 -2.073 -6.751 4.141 1.00 0.00 N HETATM 644 C5 CFL B 21 -1.795 -6.522 6.501 1.00 0.00 C HETATM 645 C6 CFL B 21 -2.432 -6.334 7.688 1.00 0.00 C HETATM 646 F CFL B 21 -3.438 -8.135 9.623 1.00 0.00 F HETATM 0 HN42 CFL B 21 -1.063 -6.854 4.048 1.00 0.00 H new HETATM 0 HN41 CFL B 21 -2.666 -6.764 3.311 1.00 0.00 H new HETATM 0 H5'2 CFL B 21 -2.985 -5.711 13.114 1.00 0.00 H new HETATM 0 H5'1 CFL B 21 -2.486 -4.384 12.085 1.00 0.00 H new HETATM 0 H6 CFL B 21 -1.852 -6.274 8.609 1.00 0.00 H new HETATM 0 H5 CFL B 21 -0.710 -6.609 6.446 1.00 0.00 H new HETATM 0 H4' CFL B 21 -4.815 -4.904 11.756 1.00 0.00 H new HETATM 0 H3' CFL B 21 -4.075 -7.658 11.926 1.00 0.00 H new HETATM 0 H2' CFL B 21 -5.445 -8.047 9.529 1.00 0.00 H new HETATM 0 H1' CFL B 21 -5.528 -5.805 8.753 1.00 0.00 H new HETATM 657 F GF2 B 22 -8.891 -11.188 6.511 1.00 0.00 F HETATM 658 P GF2 B 22 -6.519 -8.591 12.375 1.00 0.00 P HETATM 659 N1 GF2 B 22 -5.721 -10.070 2.378 1.00 0.00 N HETATM 660 C2 GF2 B 22 -6.999 -10.063 2.848 1.00 0.00 C HETATM 661 N2 GF2 B 22 -7.971 -10.308 2.005 1.00 0.00 N HETATM 662 N3 GF2 B 22 -7.327 -9.886 4.123 1.00 0.00 N HETATM 663 C4 GF2 B 22 -6.244 -9.770 4.941 1.00 0.00 C HETATM 664 C5 GF2 B 22 -4.914 -9.798 4.579 1.00 0.00 C HETATM 665 C6 GF2 B 22 -4.598 -9.927 3.177 1.00 0.00 C HETATM 666 O6 GF2 B 22 -3.510 -9.966 2.606 1.00 0.00 O HETATM 667 N7 GF2 B 22 -4.114 -9.745 5.729 1.00 0.00 N HETATM 668 C8 GF2 B 22 -4.972 -9.661 6.713 1.00 0.00 C HETATM 669 N9 GF2 B 22 -6.285 -9.647 6.309 1.00 0.00 N HETATM 670 C1' GF2 B 22 -7.535 -9.547 7.100 1.00 0.00 C HETATM 671 OP2 GF2 B 22 -5.362 -9.450 12.708 1.00 0.00 O HETATM 672 C2' GF2 B 22 -8.084 -10.881 7.578 1.00 0.00 C HETATM 673 OP1 GF2 B 22 -7.619 -8.461 13.352 1.00 0.00 O HETATM 674 C3' GF2 B 22 -8.748 -10.550 8.913 1.00 0.00 C HETATM 675 O3' GF2 B 22 -10.069 -11.074 9.057 1.00 0.00 O HETATM 676 C4' GF2 B 22 -8.565 -9.034 9.031 1.00 0.00 C HETATM 677 O4' GF2 B 22 -7.405 -8.754 8.252 1.00 0.00 O HETATM 678 C5' GF2 B 22 -8.338 -8.557 10.470 1.00 0.00 C HETATM 679 O5' GF2 B 22 -7.180 -9.164 11.031 1.00 0.00 O HETATM 0 HN2A GF2 B 22 -8.938 -10.309 2.328 1.00 0.00 H new HETATM 0 H5'A GF2 B 22 -8.228 -7.473 10.484 1.00 0.00 H new HETATM 0 HN2 GF2 B 22 -7.761 -10.497 1.025 1.00 0.00 H new HETATM 0 HN1 GF2 B 22 -5.582 -10.188 1.374 1.00 0.00 H new HETATM 0 H8 GF2 B 22 -4.672 -9.607 7.760 1.00 0.00 H new HETATM 0 H5' GF2 B 22 -9.210 -8.797 11.078 1.00 0.00 H new HETATM 0 H4' GF2 B 22 -9.465 -8.519 8.695 1.00 0.00 H new HETATM 0 H3' GF2 B 22 -8.293 -11.049 9.768 1.00 0.00 H new HETATM 0 H2' GF2 B 22 -7.437 -11.732 7.791 1.00 0.00 H new HETATM 0 H1' GF2 B 22 -8.220 -9.093 6.383 1.00 0.00 H new HETATM 690 P CFL B 23 -10.368 -12.663 9.143 1.00 0.00 P HETATM 691 O1P CFL B 23 -11.726 -12.908 9.648 1.00 0.00 O HETATM 692 O2P CFL B 23 -9.257 -13.330 9.859 1.00 0.00 O HETATM 693 O5' CFL B 23 -10.331 -13.328 7.670 1.00 0.00 O HETATM 694 C5' CFL B 23 -11.338 -13.051 6.696 1.00 0.00 C HETATM 695 C4' CFL B 23 -11.098 -13.614 5.272 1.00 0.00 C HETATM 696 O4' CFL B 23 -9.953 -13.042 4.648 1.00 0.00 O HETATM 697 C3' CFL B 23 -10.915 -15.134 5.142 1.00 0.00 C HETATM 698 O3' CFL B 23 -11.590 -15.594 3.953 1.00 0.00 O HETATM 699 C2' CFL B 23 -9.409 -15.308 5.077 1.00 0.00 C HETATM 700 C1' CFL B 23 -9.128 -14.103 4.179 1.00 0.00 C HETATM 701 N1 CFL B 23 -7.700 -13.703 4.142 1.00 0.00 N HETATM 702 C2 CFL B 23 -7.006 -13.768 2.933 1.00 0.00 C HETATM 703 O2 CFL B 23 -7.556 -14.128 1.898 1.00 0.00 O HETATM 704 N3 CFL B 23 -5.688 -13.463 2.885 1.00 0.00 N HETATM 705 C4 CFL B 23 -5.069 -13.101 3.994 1.00 0.00 C HETATM 706 N4 CFL B 23 -3.798 -12.814 3.870 1.00 0.00 N HETATM 707 C5 CFL B 23 -5.739 -12.993 5.253 1.00 0.00 C HETATM 708 C6 CFL B 23 -7.059 -13.318 5.284 1.00 0.00 C HETATM 709 F CFL B 23 -8.817 -15.267 6.332 1.00 0.00 F HETATM 0 HN42 CFL B 23 -3.258 -12.527 4.686 1.00 0.00 H new HETATM 0 HN41 CFL B 23 -3.348 -12.877 2.957 1.00 0.00 H new HETATM 0 H5'2 CFL B 23 -12.285 -13.446 7.063 1.00 0.00 H new HETATM 0 H5'1 CFL B 23 -11.451 -11.970 6.620 1.00 0.00 H new HETATM 0 H6 CFL B 23 -7.608 -13.271 6.225 1.00 0.00 H new HETATM 0 H5 CFL B 23 -5.214 -12.664 6.150 1.00 0.00 H new HETATM 0 H4' CFL B 23 -12.036 -13.340 4.789 1.00 0.00 H new HETATM 0 H3' CFL B 23 -11.339 -15.715 5.961 1.00 0.00 H new HETATM 0 H2' CFL B 23 -9.020 -16.258 4.711 1.00 0.00 H new HETATM 0 H1' CFL B 23 -9.359 -14.366 3.147 1.00 0.00 H new HETATM 720 F GF2 B 24 -6.758 -19.714 4.268 1.00 0.00 F HETATM 721 P GF2 B 24 -11.503 -17.118 3.397 1.00 0.00 P HETATM 722 N1 GF2 B 24 -2.020 -16.328 1.240 1.00 0.00 N HETATM 723 C2 GF2 B 24 -2.992 -16.971 0.549 1.00 0.00 C HETATM 724 N2 GF2 B 24 -2.661 -17.463 -0.612 1.00 0.00 N HETATM 725 N3 GF2 B 24 -4.190 -17.268 1.013 1.00 0.00 N HETATM 726 C4 GF2 B 24 -4.373 -16.855 2.299 1.00 0.00 C HETATM 727 C5 GF2 B 24 -3.460 -16.226 3.115 1.00 0.00 C HETATM 728 C6 GF2 B 24 -2.162 -15.913 2.554 1.00 0.00 C HETATM 729 O6 GF2 B 24 -1.178 -15.376 3.055 1.00 0.00 O HETATM 730 N7 GF2 B 24 -4.015 -16.085 4.395 1.00 0.00 N HETATM 731 C8 GF2 B 24 -5.206 -16.625 4.297 1.00 0.00 C HETATM 732 N9 GF2 B 24 -5.494 -17.113 3.043 1.00 0.00 N HETATM 733 C1' GF2 B 24 -6.536 -18.034 2.528 1.00 0.00 C HETATM 734 OP2 GF2 B 24 -11.423 -18.002 4.579 1.00 0.00 O HETATM 735 C2' GF2 B 24 -7.441 -18.825 3.462 1.00 0.00 C HETATM 736 OP1 GF2 B 24 -12.558 -17.301 2.378 1.00 0.00 O HETATM 737 C3' GF2 B 24 -8.207 -19.548 2.355 1.00 0.00 C HETATM 738 O3' GF2 B 24 -7.305 -20.470 1.753 1.00 0.00 O HETATM 739 C4' GF2 B 24 -8.447 -18.411 1.337 1.00 0.00 C HETATM 740 O4' GF2 B 24 -7.434 -17.442 1.605 1.00 0.00 O HETATM 741 C5' GF2 B 24 -9.843 -17.764 1.409 1.00 0.00 C HETATM 742 O5' GF2 B 24 -10.063 -17.135 2.662 1.00 0.00 O HETATM 0 HO3' GF2 B 24 -6.686 -20.813 2.431 1.00 0.00 H new HETATM 0 HN2A GF2 B 24 -3.355 -17.957 -1.173 1.00 0.00 H new HETATM 0 H5'A GF2 B 24 -9.946 -17.030 0.610 1.00 0.00 H new HETATM 0 HN2 GF2 B 24 -1.708 -17.354 -0.959 1.00 0.00 H new HETATM 0 HN1 GF2 B 24 -1.136 -16.139 0.767 1.00 0.00 H new HETATM 0 H8 GF2 B 24 -5.904 -16.682 5.132 1.00 0.00 H new HETATM 0 H5' GF2 B 24 -10.606 -18.525 1.244 1.00 0.00 H new HETATM 0 H4' GF2 B 24 -8.401 -18.821 0.328 1.00 0.00 H new HETATM 0 H3' GF2 B 24 -9.109 -20.065 2.684 1.00 0.00 H new HETATM 0 H2' GF2 B 24 -8.009 -18.248 4.191 1.00 0.00 H new HETATM 0 H1' GF2 B 24 -5.821 -18.740 2.107 1.00 0.00 H new TER 754 GF2 B 24