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 180:sc= -0.26 USER MOD Single : B 24 GF2 O3' : rot 16:sc= 0.225 USER MOD ----------------------------------------------------------------- HETATM 1 N1 CFZ A 1 0.504 -17.292 -2.526 1.00 0.00 N HETATM 2 C2 CFZ A 1 -0.425 -17.655 -1.528 1.00 0.00 C HETATM 3 O2 CFZ A 1 -1.135 -18.658 -1.663 1.00 0.00 O HETATM 4 N3 CFZ A 1 -0.504 -16.873 -0.390 1.00 0.00 N HETATM 5 C4 CFZ A 1 0.324 -15.826 -0.229 1.00 0.00 C HETATM 6 N4 CFZ A 1 0.296 -15.117 0.885 1.00 0.00 N HETATM 7 C5 CFZ A 1 1.303 -15.502 -1.214 1.00 0.00 C HETATM 8 C6 CFZ A 1 1.363 -16.247 -2.336 1.00 0.00 C HETATM 9 C1' CFZ A 1 0.541 -17.996 -3.833 1.00 0.00 C HETATM 10 C2' CFZ A 1 -0.187 -17.242 -4.948 1.00 0.00 C HETATM 11 F2' CFZ A 1 -1.368 -17.948 -5.004 1.00 0.00 F HETATM 12 C3' CFZ A 1 0.826 -17.286 -6.099 1.00 0.00 C HETATM 13 O3' CFZ A 1 0.285 -17.323 -7.414 1.00 0.00 O HETATM 14 C4' CFZ A 1 1.709 -18.461 -5.701 1.00 0.00 C HETATM 15 O4' CFZ A 1 1.856 -18.244 -4.301 1.00 0.00 O HETATM 16 C5' CFZ A 1 3.052 -18.527 -6.444 1.00 0.00 C HETATM 17 O5' CFZ A 1 3.795 -17.319 -6.369 1.00 0.00 O HETATM 0 HN4A CFZ A 1 0.927 -14.324 1.001 1.00 0.00 H new HETATM 0 H5'A CFZ A 1 3.649 -19.339 -6.029 1.00 0.00 H new HETATM 0 HN4 CFZ A 1 -0.356 -15.363 1.630 1.00 0.00 H new HETATM 0 H6 CFZ A 1 2.105 -16.013 -3.100 1.00 0.00 H new HETATM 0 H5' CFZ A 1 2.869 -18.768 -7.491 1.00 0.00 H new HETATM 0 H5 CFZ A 1 1.989 -14.669 -1.063 1.00 0.00 H new HETATM 0 H4' CFZ A 1 1.274 -19.426 -5.962 1.00 0.00 H new HETATM 0 H3' CFZ A 1 1.384 -16.355 -6.205 1.00 0.00 H new HETATM 0 H2' CFZ A 1 -0.470 -16.191 -4.885 1.00 0.00 H new HETATM 0 H1' CFZ A 1 0.034 -18.937 -3.621 1.00 0.00 H new HETATM 29 F GF2 A 2 -6.178 -14.217 -5.302 1.00 0.00 F HETATM 30 P GF2 A 2 -0.213 -15.968 -8.124 1.00 0.00 P HETATM 31 N1 GF2 A 2 -5.043 -14.382 0.444 1.00 0.00 N HETATM 32 C2 GF2 A 2 -5.916 -14.848 -0.491 1.00 0.00 C HETATM 33 N2 GF2 A 2 -7.141 -15.108 -0.108 1.00 0.00 N HETATM 34 N3 GF2 A 2 -5.605 -15.070 -1.767 1.00 0.00 N HETATM 35 C4 GF2 A 2 -4.303 -14.784 -2.048 1.00 0.00 C HETATM 36 C5 GF2 A 2 -3.342 -14.308 -1.181 1.00 0.00 C HETATM 37 C6 GF2 A 2 -3.721 -14.071 0.186 1.00 0.00 C HETATM 38 O6 GF2 A 2 -3.052 -13.644 1.125 1.00 0.00 O HETATM 39 N7 GF2 A 2 -2.127 -14.152 -1.860 1.00 0.00 N HETATM 40 C8 GF2 A 2 -2.394 -14.539 -3.078 1.00 0.00 C HETATM 41 N9 GF2 A 2 -3.700 -14.913 -3.272 1.00 0.00 N HETATM 42 C1' GF2 A 2 -4.378 -15.317 -4.522 1.00 0.00 C HETATM 43 OP2 GF2 A 2 0.728 -14.876 -7.823 1.00 0.00 O HETATM 44 C2' GF2 A 2 -4.806 -14.121 -5.363 1.00 0.00 C HETATM 45 OP1 GF2 A 2 -0.607 -16.188 -9.532 1.00 0.00 O HETATM 46 C3' GF2 A 2 -4.103 -14.327 -6.704 1.00 0.00 C HETATM 47 O3' GF2 A 2 -4.792 -13.828 -7.849 1.00 0.00 O HETATM 48 C4' GF2 A 2 -3.866 -15.836 -6.660 1.00 0.00 C HETATM 49 O4' GF2 A 2 -3.474 -16.054 -5.314 1.00 0.00 O HETATM 50 C5' GF2 A 2 -2.771 -16.328 -7.604 1.00 0.00 C HETATM 51 O5' GF2 A 2 -1.582 -15.576 -7.402 1.00 0.00 O HETATM 0 HN2A GF2 A 2 -7.822 -15.459 -0.781 1.00 0.00 H new HETATM 0 H5'A GF2 A 2 -2.576 -17.386 -7.429 1.00 0.00 H new HETATM 0 HN2 GF2 A 2 -7.414 -14.960 0.864 1.00 0.00 H new HETATM 0 HN1 GF2 A 2 -5.386 -14.254 1.396 1.00 0.00 H new HETATM 0 H8 GF2 A 2 -1.646 -14.563 -3.870 1.00 0.00 H new HETATM 0 H5' GF2 A 2 -3.101 -16.232 -8.638 1.00 0.00 H new HETATM 0 H4' GF2 A 2 -4.755 -16.379 -6.980 1.00 0.00 H new HETATM 0 H3' GF2 A 2 -3.190 -13.744 -6.824 1.00 0.00 H new HETATM 0 H2' GF2 A 2 -4.543 -13.103 -5.074 1.00 0.00 H new HETATM 0 H1' GF2 A 2 -5.258 -15.892 -4.234 1.00 0.00 H new HETATM 62 P CFZ A 3 -4.984 -12.248 -8.136 1.00 0.00 P HETATM 63 N1 CFZ A 3 -6.491 -11.041 -2.742 1.00 0.00 N HETATM 64 C2 CFZ A 3 -6.537 -10.840 -1.361 1.00 0.00 C HETATM 65 O2 CFZ A 3 -7.610 -10.699 -0.784 1.00 0.00 O HETATM 66 N3 CFZ A 3 -5.391 -10.777 -0.635 1.00 0.00 N HETATM 67 C4 CFZ A 3 -4.230 -10.902 -1.254 1.00 0.00 C HETATM 68 N4 CFZ A 3 -3.161 -10.863 -0.494 1.00 0.00 N HETATM 69 C5 CFZ A 3 -4.126 -11.079 -2.670 1.00 0.00 C HETATM 70 C6 CFZ A 3 -5.284 -11.127 -3.380 1.00 0.00 C HETATM 71 C1' CFZ A 3 -7.771 -11.104 -3.507 1.00 0.00 C HETATM 72 O1P CFZ A 3 -5.688 -12.075 -9.422 1.00 0.00 O HETATM 73 C2' CFZ A 3 -8.203 -9.754 -4.005 1.00 0.00 C HETATM 74 F2' CFZ A 3 -9.555 -9.696 -3.771 1.00 0.00 F HETATM 75 O2P CFZ A 3 -3.671 -11.575 -8.077 1.00 0.00 O HETATM 76 C3' CFZ A 3 -7.797 -9.719 -5.480 1.00 0.00 C HETATM 77 O3' CFZ A 3 -8.520 -8.753 -6.256 1.00 0.00 O HETATM 78 C4' CFZ A 3 -8.046 -11.194 -5.809 1.00 0.00 C HETATM 79 O4' CFZ A 3 -7.621 -11.918 -4.658 1.00 0.00 O HETATM 80 C5' CFZ A 3 -7.329 -11.730 -7.054 1.00 0.00 C HETATM 81 O5' CFZ A 3 -5.912 -11.603 -6.990 1.00 0.00 O HETATM 0 HN4A CFZ A 3 -2.235 -10.954 -0.912 1.00 0.00 H new HETATM 0 H5'A CFZ A 3 -7.586 -12.781 -7.188 1.00 0.00 H new HETATM 0 HN4 CFZ A 3 -3.256 -10.742 0.514 1.00 0.00 H new HETATM 0 H6 CFZ A 3 -5.251 -11.235 -4.464 1.00 0.00 H new HETATM 0 H5' CFZ A 3 -7.695 -11.198 -7.932 1.00 0.00 H new HETATM 0 H5 CFZ A 3 -3.157 -11.172 -3.160 1.00 0.00 H new HETATM 0 H4' CFZ A 3 -9.103 -11.314 -6.049 1.00 0.00 H new HETATM 0 H3' CFZ A 3 -6.786 -9.380 -5.706 1.00 0.00 H new HETATM 0 H2' CFZ A 3 -7.753 -8.886 -3.524 1.00 0.00 H new HETATM 0 H1' CFZ A 3 -8.512 -11.506 -2.816 1.00 0.00 H new HETATM 92 F GF2 A 4 -10.672 -5.199 -0.031 1.00 0.00 F HETATM 93 P GF2 A 4 -8.238 -7.163 -6.107 1.00 0.00 P HETATM 94 N1 GF2 A 4 -5.721 -6.699 2.567 1.00 0.00 N HETATM 95 C2 GF2 A 4 -7.073 -6.585 2.694 1.00 0.00 C HETATM 96 N2 GF2 A 4 -7.555 -6.328 3.883 1.00 0.00 N HETATM 97 N3 GF2 A 4 -7.936 -6.663 1.685 1.00 0.00 N HETATM 98 C4 GF2 A 4 -7.326 -6.875 0.485 1.00 0.00 C HETATM 99 C5 GF2 A 4 -5.975 -6.998 0.241 1.00 0.00 C HETATM 100 C6 GF2 A 4 -5.076 -6.907 1.361 1.00 0.00 C HETATM 101 O6 GF2 A 4 -3.843 -6.977 1.386 1.00 0.00 O HETATM 102 N7 GF2 A 4 -5.740 -7.162 -1.132 1.00 0.00 N HETATM 103 C8 GF2 A 4 -6.941 -7.119 -1.648 1.00 0.00 C HETATM 104 N9 GF2 A 4 -7.952 -6.967 -0.730 1.00 0.00 N HETATM 105 C1' GF2 A 4 -9.404 -6.795 -0.978 1.00 0.00 C HETATM 106 OP2 GF2 A 4 -6.774 -6.987 -5.966 1.00 0.00 O HETATM 107 C2' GF2 A 4 -9.753 -5.318 -1.049 1.00 0.00 C HETATM 108 OP1 GF2 A 4 -8.951 -6.381 -7.143 1.00 0.00 O HETATM 109 C3' GF2 A 4 -10.187 -5.090 -2.494 1.00 0.00 C HETATM 110 O3' GF2 A 4 -11.171 -4.067 -2.645 1.00 0.00 O HETATM 111 C4' GF2 A 4 -10.556 -6.496 -2.965 1.00 0.00 C HETATM 112 O4' GF2 A 4 -9.675 -7.349 -2.245 1.00 0.00 O HETATM 113 C5' GF2 A 4 -10.291 -6.734 -4.461 1.00 0.00 C HETATM 114 O5' GF2 A 4 -8.886 -6.674 -4.723 1.00 0.00 O HETATM 0 HN2A GF2 A 4 -8.562 -6.236 4.016 1.00 0.00 H new HETATM 0 H5'A GF2 A 4 -10.684 -7.706 -4.758 1.00 0.00 H new HETATM 0 HN2 GF2 A 4 -6.924 -6.220 4.677 1.00 0.00 H new HETATM 0 HN1 GF2 A 4 -5.152 -6.627 3.410 1.00 0.00 H new HETATM 0 H8 GF2 A 4 -7.125 -7.197 -2.719 1.00 0.00 H new HETATM 0 H5' GF2 A 4 -10.813 -5.984 -5.055 1.00 0.00 H new HETATM 0 H4' GF2 A 4 -11.620 -6.666 -2.802 1.00 0.00 H new HETATM 0 H3' GF2 A 4 -9.412 -4.667 -3.133 1.00 0.00 H new HETATM 0 H2' GF2 A 4 -8.999 -4.549 -0.881 1.00 0.00 H new HETATM 0 H1' GF2 A 4 -9.975 -7.270 -0.180 1.00 0.00 H new HETATM 125 F AF2 A 5 -9.278 -1.188 4.008 1.00 0.00 F HETATM 126 P AF2 A 5 -10.766 -2.502 -2.622 1.00 0.00 P HETATM 127 N1 AF2 A 5 -3.748 -3.438 3.745 1.00 0.00 N HETATM 128 C2 AF2 A 5 -4.803 -3.115 4.488 1.00 0.00 C HETATM 129 N3 AF2 A 5 -6.062 -2.942 4.088 1.00 0.00 N HETATM 130 C4 AF2 A 5 -6.208 -3.149 2.749 1.00 0.00 C HETATM 131 C5 AF2 A 5 -5.218 -3.478 1.862 1.00 0.00 C HETATM 132 C6 AF2 A 5 -3.941 -3.630 2.437 1.00 0.00 C HETATM 133 N6 AF2 A 5 -2.868 -3.932 1.724 1.00 0.00 N HETATM 134 N7 AF2 A 5 -5.704 -3.572 0.556 1.00 0.00 N HETATM 135 C8 AF2 A 5 -6.967 -3.287 0.700 1.00 0.00 C HETATM 136 N9 AF2 A 5 -7.357 -3.043 1.994 1.00 0.00 N HETATM 137 C1' AF2 A 5 -8.718 -2.692 2.466 1.00 0.00 C HETATM 138 OP2 AF2 A 5 -9.576 -2.350 -3.485 1.00 0.00 O HETATM 139 C2' AF2 A 5 -8.856 -1.199 2.695 1.00 0.00 C HETATM 140 OP1 AF2 A 5 -11.956 -1.670 -2.911 1.00 0.00 O HETATM 141 C3' AF2 A 5 -9.816 -0.696 1.610 1.00 0.00 C HETATM 142 O3' AF2 A 5 -10.513 0.512 1.964 1.00 0.00 O HETATM 143 C4' AF2 A 5 -10.611 -1.978 1.347 1.00 0.00 C HETATM 144 O4' AF2 A 5 -9.616 -2.992 1.415 1.00 0.00 O HETATM 145 C5' AF2 A 5 -11.293 -2.094 -0.028 1.00 0.00 C HETATM 146 O5' AF2 A 5 -10.351 -2.094 -1.108 1.00 0.00 O HETATM 0 HN6A AF2 A 5 -2.951 -4.090 0.720 1.00 0.00 H new HETATM 0 H5'A AF2 A 5 -11.881 -3.011 -0.062 1.00 0.00 H new HETATM 0 HN6 AF2 A 5 -1.958 -4.006 2.179 1.00 0.00 H new HETATM 0 H8 AF2 A 5 -7.660 -3.245 -0.140 1.00 0.00 H new HETATM 0 H5' AF2 A 5 -11.989 -1.265 -0.156 1.00 0.00 H new HETATM 0 H4' AF2 A 5 -11.433 -2.030 2.061 1.00 0.00 H new HETATM 0 H3' AF2 A 5 -9.372 -0.313 0.691 1.00 0.00 H new HETATM 0 H2' AF2 A 5 -7.996 -0.536 2.599 1.00 0.00 H new HETATM 0 H2 AF2 A 5 -4.615 -2.975 5.552 1.00 0.00 H new HETATM 0 H1' AF2 A 5 -8.913 -3.236 3.390 1.00 0.00 H new HETATM 157 F AF2 A 6 -5.324 1.673 7.166 1.00 0.00 F HETATM 158 P AF2 A 6 -9.747 1.951 1.980 1.00 0.00 P HETATM 159 N1 AF2 A 6 -0.869 -0.757 3.996 1.00 0.00 N HETATM 160 C2 AF2 A 6 -1.413 -0.519 5.186 1.00 0.00 C HETATM 161 N3 AF2 A 6 -2.683 -0.212 5.450 1.00 0.00 N HETATM 162 C4 AF2 A 6 -3.443 -0.154 4.322 1.00 0.00 C HETATM 163 C5 AF2 A 6 -3.020 -0.361 3.037 1.00 0.00 C HETATM 164 C6 AF2 A 6 -1.656 -0.693 2.918 1.00 0.00 C HETATM 165 N6 AF2 A 6 -1.069 -0.934 1.759 1.00 0.00 N HETATM 166 N7 AF2 A 6 -4.054 -0.164 2.115 1.00 0.00 N HETATM 167 C8 AF2 A 6 -5.061 0.149 2.882 1.00 0.00 C HETATM 168 N9 AF2 A 6 -4.788 0.127 4.228 1.00 0.00 N HETATM 169 C1' AF2 A 6 -5.721 0.429 5.339 1.00 0.00 C HETATM 170 OP2 AF2 A 6 -9.026 2.103 0.695 1.00 0.00 O HETATM 171 C2' AF2 A 6 -5.510 1.850 5.811 1.00 0.00 C HETATM 172 OP1 AF2 A 6 -10.627 3.057 2.420 1.00 0.00 O HETATM 173 C3' AF2 A 6 -6.741 2.601 5.309 1.00 0.00 C HETATM 174 O3' AF2 A 6 -7.093 3.790 6.008 1.00 0.00 O HETATM 175 C4' AF2 A 6 -7.762 1.475 5.351 1.00 0.00 C HETATM 176 O4' AF2 A 6 -7.033 0.388 4.808 1.00 0.00 O HETATM 177 C5' AF2 A 6 -8.998 1.764 4.503 1.00 0.00 C HETATM 178 O5' AF2 A 6 -8.639 1.883 3.128 1.00 0.00 O HETATM 0 HN6A AF2 A 6 -1.612 -0.902 0.896 1.00 0.00 H new HETATM 0 H5'A AF2 A 6 -9.728 0.964 4.627 1.00 0.00 H new HETATM 0 HN6 AF2 A 6 -0.073 -1.152 1.727 1.00 0.00 H new HETATM 0 H8 AF2 A 6 -6.043 0.408 2.486 1.00 0.00 H new HETATM 0 H5' AF2 A 6 -9.473 2.684 4.843 1.00 0.00 H new HETATM 0 H4' AF2 A 6 -8.153 1.306 6.354 1.00 0.00 H new HETATM 0 H3' AF2 A 6 -6.611 3.060 4.329 1.00 0.00 H new HETATM 0 H2' AF2 A 6 -4.670 2.447 5.457 1.00 0.00 H new HETATM 0 H2 AF2 A 6 -0.744 -0.582 6.044 1.00 0.00 H new HETATM 0 H1' AF2 A 6 -5.563 -0.279 6.153 1.00 0.00 H new HETATM 189 P TAF A 7 -6.193 5.132 5.918 1.00 0.00 P HETATM 190 OP1 TAF A 7 -6.827 6.187 6.722 1.00 0.00 O HETATM 191 OP2 TAF A 7 -5.925 5.417 4.485 1.00 0.00 O HETATM 192 O5' TAF A 7 -4.770 4.782 6.590 1.00 0.00 O HETATM 193 N1 TAF A 7 -1.143 3.088 5.746 1.00 0.00 N HETATM 194 C6 TAF A 7 -2.120 3.276 4.796 1.00 0.00 C HETATM 195 C2 TAF A 7 0.139 2.655 5.387 1.00 0.00 C HETATM 196 O2 TAF A 7 1.064 2.552 6.185 1.00 0.00 O HETATM 197 N3 TAF A 7 0.348 2.373 4.054 1.00 0.00 N HETATM 198 C4 TAF A 7 -0.581 2.527 3.044 1.00 0.00 C HETATM 199 O4 TAF A 7 -0.247 2.261 1.892 1.00 0.00 O HETATM 200 C5 TAF A 7 -1.886 3.025 3.482 1.00 0.00 C HETATM 201 C5M TAF A 7 -2.976 3.332 2.472 1.00 0.00 C HETATM 202 F2' TAF A 7 -1.886 5.697 6.233 1.00 0.00 F HETATM 203 C2' TAF A 7 -1.344 5.029 7.322 1.00 0.00 C HETATM 204 C5' TAF A 7 -4.652 4.512 7.985 1.00 0.00 C HETATM 205 C4' TAF A 7 -3.244 4.073 8.444 1.00 0.00 C HETATM 206 O4' TAF A 7 -2.676 3.079 7.591 1.00 0.00 O HETATM 207 C1' TAF A 7 -1.388 3.504 7.154 1.00 0.00 C HETATM 208 C3' TAF A 7 -2.228 5.219 8.540 1.00 0.00 C HETATM 209 O3' TAF A 7 -1.508 5.154 9.780 1.00 0.00 O HETATM 0 H5'' TAF A 7 -4.937 5.406 8.539 1.00 0.00 H new HETATM 0 H73 TAF A 7 -3.866 2.749 2.708 1.00 0.00 H new HETATM 0 H72 TAF A 7 -3.218 4.394 2.509 1.00 0.00 H new HETATM 0 H71 TAF A 7 -2.628 3.074 1.472 1.00 0.00 H new HETATM 0 H6 TAF A 7 -3.102 3.634 5.104 1.00 0.00 H new HETATM 0 H5' TAF A 7 -5.365 3.732 8.251 1.00 0.00 H new HETATM 0 H4' TAF A 7 -3.422 3.672 9.442 1.00 0.00 H new HETATM 0 H3' TAF A 7 -2.684 6.209 8.542 1.00 0.00 H new HETATM 0 H3 TAF A 7 1.268 2.020 3.791 1.00 0.00 H new HETATM 0 H2' TAF A 7 -0.331 5.420 7.414 1.00 0.00 H new HETATM 0 H1' TAF A 7 -0.597 3.041 7.744 1.00 0.00 H new HETATM 221 P UFT A 8 -0.680 6.403 10.412 1.00 0.00 P HETATM 222 OP1 UFT A 8 -0.233 6.059 11.771 1.00 0.00 O HETATM 223 OP2 UFT A 8 -1.394 7.678 10.183 1.00 0.00 O HETATM 224 O5' UFT A 8 0.632 6.587 9.516 1.00 0.00 O HETATM 225 N1 UFT A 8 2.582 5.478 5.062 1.00 0.00 N HETATM 226 C6 UFT A 8 1.278 5.776 4.721 1.00 0.00 C HETATM 227 C2 UFT A 8 3.498 5.070 4.093 1.00 0.00 C HETATM 228 O2 UFT A 8 4.669 4.799 4.336 1.00 0.00 O HETATM 229 N3 UFT A 8 3.037 4.993 2.802 1.00 0.00 N HETATM 230 C4 UFT A 8 1.767 5.282 2.372 1.00 0.00 C HETATM 231 O4 UFT A 8 1.509 5.223 1.174 1.00 0.00 O HETATM 232 C5 UFT A 8 0.860 5.682 3.429 1.00 0.00 C HETATM 233 F2' UFT A 8 4.797 7.173 6.283 1.00 0.00 F HETATM 234 C2' UFT A 8 3.469 7.188 6.637 1.00 0.00 C HETATM 235 C5' UFT A 8 1.832 5.889 9.794 1.00 0.00 C HETATM 236 C4' UFT A 8 2.790 5.971 8.603 1.00 0.00 C HETATM 237 O4' UFT A 8 2.219 5.366 7.451 1.00 0.00 O HETATM 238 C1' UFT A 8 3.119 5.721 6.425 1.00 0.00 C HETATM 239 C3' UFT A 8 3.077 7.384 8.103 1.00 0.00 C HETATM 240 O3' UFT A 8 3.974 8.172 8.869 1.00 0.00 O HETATM 0 H5'A UFT A 8 2.307 6.310 10.680 1.00 0.00 H new HETATM 0 HN3 UFT A 8 3.705 4.691 2.093 1.00 0.00 H new HETATM 0 H6 UFT A 8 0.576 6.090 5.494 1.00 0.00 H new HETATM 0 H5' UFT A 8 1.609 4.846 10.017 1.00 0.00 H new HETATM 0 H5 UFT A 8 -0.177 5.912 3.185 1.00 0.00 H new HETATM 0 H4' UFT A 8 3.690 5.492 8.989 1.00 0.00 H new HETATM 0 H3' UFT A 8 2.194 8.013 8.217 1.00 0.00 H new HETATM 0 H2' UFT A 8 3.003 8.009 6.092 1.00 0.00 H new HETATM 0 H1' UFT A 8 4.006 5.090 6.484 1.00 0.00 H new HETATM 250 P CFL A 9 4.102 9.760 8.619 1.00 0.00 P HETATM 251 O1P CFL A 9 4.784 10.334 9.793 1.00 0.00 O HETATM 252 O2P CFL A 9 2.727 10.212 8.283 1.00 0.00 O HETATM 253 O5' CFL A 9 5.090 9.902 7.329 1.00 0.00 O HETATM 254 C5' CFL A 9 6.472 9.538 7.435 1.00 0.00 C HETATM 255 C4' CFL A 9 7.351 9.706 6.174 1.00 0.00 C HETATM 256 O4' CFL A 9 6.981 8.809 5.131 1.00 0.00 O HETATM 257 C3' CFL A 9 7.444 11.125 5.586 1.00 0.00 C HETATM 258 O3' CFL A 9 8.811 11.586 5.533 1.00 0.00 O HETATM 259 C2' CFL A 9 6.772 10.982 4.223 1.00 0.00 C HETATM 260 C1' CFL A 9 6.978 9.500 3.891 1.00 0.00 C HETATM 261 N1 CFL A 9 5.956 8.894 2.981 1.00 0.00 N HETATM 262 C2 CFL A 9 6.318 8.504 1.685 1.00 0.00 C HETATM 263 O2 CFL A 9 7.479 8.582 1.285 1.00 0.00 O HETATM 264 N3 CFL A 9 5.385 8.030 0.822 1.00 0.00 N HETATM 265 C4 CFL A 9 4.128 7.926 1.224 1.00 0.00 C HETATM 266 N4 CFL A 9 3.271 7.453 0.349 1.00 0.00 N HETATM 267 C5 CFL A 9 3.713 8.248 2.554 1.00 0.00 C HETATM 268 C6 CFL A 9 4.660 8.727 3.403 1.00 0.00 C HETATM 269 F CFL A 9 5.427 11.236 4.320 1.00 0.00 F HETATM 0 HN42 CFL A 9 2.288 7.350 0.602 1.00 0.00 H new HETATM 0 HN41 CFL A 9 3.588 7.188 -0.584 1.00 0.00 H new HETATM 0 H5'2 CFL A 9 6.916 10.129 8.236 1.00 0.00 H new HETATM 0 H5'1 CFL A 9 6.523 8.494 7.744 1.00 0.00 H new HETATM 0 H6 CFL A 9 4.388 8.981 4.428 1.00 0.00 H new HETATM 0 H5 CFL A 9 2.680 8.115 2.874 1.00 0.00 H new HETATM 0 H4' CFL A 9 8.342 9.469 6.560 1.00 0.00 H new HETATM 0 H3' CFL A 9 6.954 11.890 6.188 1.00 0.00 H new HETATM 0 H2' CFL A 9 7.176 11.668 3.478 1.00 0.00 H new HETATM 0 H1' CFL A 9 7.913 9.414 3.338 1.00 0.00 H new HETATM 280 F GF2 A 10 8.980 13.026 -1.710 1.00 0.00 F HETATM 281 P GF2 A 10 9.241 13.111 5.136 1.00 0.00 P HETATM 282 N1 GF2 A 10 5.201 10.125 -3.891 1.00 0.00 N HETATM 283 C2 GF2 A 10 6.531 10.396 -3.846 1.00 0.00 C HETATM 284 N2 GF2 A 10 7.218 10.352 -4.959 1.00 0.00 N HETATM 285 N3 GF2 A 10 7.180 10.776 -2.750 1.00 0.00 N HETATM 286 C4 GF2 A 10 6.357 10.937 -1.676 1.00 0.00 C HETATM 287 C5 GF2 A 10 5.001 10.724 -1.616 1.00 0.00 C HETATM 288 C6 GF2 A 10 4.342 10.245 -2.810 1.00 0.00 C HETATM 289 O6 GF2 A 10 3.162 9.975 -3.012 1.00 0.00 O HETATM 290 N7 GF2 A 10 4.523 11.091 -0.348 1.00 0.00 N HETATM 291 C8 GF2 A 10 5.593 11.489 0.293 1.00 0.00 C HETATM 292 N9 GF2 A 10 6.746 11.400 -0.446 1.00 0.00 N HETATM 293 C1' GF2 A 10 8.145 11.722 -0.100 1.00 0.00 C HETATM 294 OP2 GF2 A 10 8.163 14.043 5.510 1.00 0.00 O HETATM 295 C2' GF2 A 10 8.558 13.153 -0.410 1.00 0.00 C HETATM 296 OP1 GF2 A 10 10.629 13.388 5.555 1.00 0.00 O HETATM 297 C3' GF2 A 10 9.611 13.407 0.659 1.00 0.00 C HETATM 298 O3' GF2 A 10 10.811 14.025 0.210 1.00 0.00 O HETATM 299 C4' GF2 A 10 9.767 12.071 1.376 1.00 0.00 C HETATM 300 O4' GF2 A 10 8.470 11.501 1.255 1.00 0.00 O HETATM 301 C5' GF2 A 10 10.182 12.231 2.842 1.00 0.00 C HETATM 302 O5' GF2 A 10 9.287 13.091 3.531 1.00 0.00 O HETATM 0 HN2A GF2 A 10 8.218 10.552 -4.949 1.00 0.00 H new HETATM 0 H5'A GF2 A 10 10.201 11.255 3.327 1.00 0.00 H new HETATM 0 HN2 GF2 A 10 6.753 10.118 -5.836 1.00 0.00 H new HETATM 0 HN1 GF2 A 10 4.808 9.813 -4.779 1.00 0.00 H new HETATM 0 H8 GF2 A 10 5.570 11.857 1.319 1.00 0.00 H new HETATM 0 H5' GF2 A 10 11.193 12.634 2.896 1.00 0.00 H new HETATM 0 H4' GF2 A 10 10.558 11.454 0.949 1.00 0.00 H new HETATM 0 H3' GF2 A 10 9.288 14.181 1.355 1.00 0.00 H new HETATM 0 H2' GF2 A 10 7.857 13.987 -0.371 1.00 0.00 H new HETATM 0 H1' GF2 A 10 8.691 11.029 -0.740 1.00 0.00 H new HETATM 313 P CFL A 11 10.866 15.585 -0.191 1.00 0.00 P HETATM 314 O1P CFL A 11 12.291 15.953 -0.274 1.00 0.00 O HETATM 315 O2P CFL A 11 10.015 16.241 0.834 1.00 0.00 O HETATM 316 O5' CFL A 11 10.207 15.693 -1.680 1.00 0.00 O HETATM 317 C5' CFL A 11 10.949 15.257 -2.829 1.00 0.00 C HETATM 318 C4' CFL A 11 10.267 15.215 -4.222 1.00 0.00 C HETATM 319 O4' CFL A 11 9.198 14.277 -4.282 1.00 0.00 O HETATM 320 C3' CFL A 11 9.716 16.514 -4.836 1.00 0.00 C HETATM 321 O3' CFL A 11 10.032 16.528 -6.247 1.00 0.00 O HETATM 322 C2' CFL A 11 8.226 16.419 -4.576 1.00 0.00 C HETATM 323 C1' CFL A 11 8.077 14.926 -4.875 1.00 0.00 C HETATM 324 N1 CFL A 11 6.809 14.346 -4.372 1.00 0.00 N HETATM 325 C2 CFL A 11 5.878 13.839 -5.282 1.00 0.00 C HETATM 326 O2 CFL A 11 6.121 13.772 -6.483 1.00 0.00 O HETATM 327 N3 CFL A 11 4.664 13.423 -4.849 1.00 0.00 N HETATM 328 C4 CFL A 11 4.387 13.484 -3.556 1.00 0.00 C HETATM 329 N4 CFL A 11 3.197 13.064 -3.210 1.00 0.00 N HETATM 330 C5 CFL A 11 5.332 13.923 -2.578 1.00 0.00 C HETATM 331 C6 CFL A 11 6.532 14.363 -3.035 1.00 0.00 C HETATM 332 F CFL A 11 7.891 16.777 -3.284 1.00 0.00 F HETATM 0 HN42 CFL A 11 2.915 13.082 -2.230 1.00 0.00 H new HETATM 0 HN41 CFL A 11 2.552 12.719 -3.920 1.00 0.00 H new HETATM 0 H5'2 CFL A 11 11.823 15.903 -2.915 1.00 0.00 H new HETATM 0 H5'1 CFL A 11 11.315 14.252 -2.617 1.00 0.00 H new HETATM 0 H6 CFL A 11 7.278 14.732 -2.331 1.00 0.00 H new HETATM 0 H5 CFL A 11 5.100 13.905 -1.513 1.00 0.00 H new HETATM 0 H4' CFL A 11 11.138 14.939 -4.816 1.00 0.00 H new HETATM 0 H3' CFL A 11 10.132 17.432 -4.421 1.00 0.00 H new HETATM 0 H2' CFL A 11 7.576 17.080 -5.150 1.00 0.00 H new HETATM 0 H1' CFL A 11 8.044 14.780 -5.955 1.00 0.00 H new HETATM 343 F GF2 A 12 4.530 19.947 -6.679 1.00 0.00 F HETATM 344 P GF2 A 12 9.495 17.642 -7.307 1.00 0.00 P HETATM 345 N1 GF2 A 12 0.307 14.992 -6.108 1.00 0.00 N HETATM 346 C2 GF2 A 12 0.879 15.368 -7.268 1.00 0.00 C HETATM 347 N2 GF2 A 12 0.190 15.045 -8.325 1.00 0.00 N HETATM 348 N3 GF2 A 12 2.019 16.015 -7.384 1.00 0.00 N HETATM 349 C4 GF2 A 12 2.597 16.258 -6.169 1.00 0.00 C HETATM 350 C5 GF2 A 12 2.117 15.935 -4.920 1.00 0.00 C HETATM 351 C6 GF2 A 12 0.853 15.232 -4.858 1.00 0.00 C HETATM 352 O6 GF2 A 12 0.179 14.845 -3.907 1.00 0.00 O HETATM 353 N7 GF2 A 12 2.999 16.435 -3.950 1.00 0.00 N HETATM 354 C8 GF2 A 12 3.949 17.022 -4.637 1.00 0.00 C HETATM 355 N9 GF2 A 12 3.767 16.946 -6.000 1.00 0.00 N HETATM 356 C1' GF2 A 12 4.421 17.563 -7.175 1.00 0.00 C HETATM 357 OP2 GF2 A 12 9.491 18.945 -6.612 1.00 0.00 O HETATM 358 C2' GF2 A 12 5.248 18.839 -7.088 1.00 0.00 C HETATM 359 OP1 GF2 A 12 10.245 17.466 -8.570 1.00 0.00 O HETATM 360 C3' GF2 A 12 5.554 18.873 -8.593 1.00 0.00 C HETATM 361 O3' GF2 A 12 4.336 19.152 -9.269 1.00 0.00 O HETATM 362 C4' GF2 A 12 5.904 17.401 -8.899 1.00 0.00 C HETATM 363 O4' GF2 A 12 5.220 16.648 -7.903 1.00 0.00 O HETATM 364 C5' GF2 A 12 7.405 17.062 -8.870 1.00 0.00 C HETATM 365 O5' GF2 A 12 7.954 17.226 -7.569 1.00 0.00 O HETATM 0 HO3' GF2 A 12 4.498 19.182 -10.235 1.00 0.00 H new HETATM 0 HN2A GF2 A 12 0.538 15.285 -9.253 1.00 0.00 H new HETATM 0 H5'A GF2 A 12 7.553 16.034 -9.201 1.00 0.00 H new HETATM 0 HN2 GF2 A 12 -0.697 14.552 -8.224 1.00 0.00 H new HETATM 0 HN1 GF2 A 12 -0.585 14.499 -6.153 1.00 0.00 H new HETATM 0 H8 GF2 A 12 4.800 17.522 -4.174 1.00 0.00 H new HETATM 0 H5' GF2 A 12 7.937 17.703 -9.573 1.00 0.00 H new HETATM 0 H4' GF2 A 12 5.605 17.173 -9.922 1.00 0.00 H new HETATM 0 H3' GF2 A 12 6.321 19.594 -8.876 1.00 0.00 H new HETATM 0 H2' GF2 A 12 6.075 18.852 -6.378 1.00 0.00 H new HETATM 0 H1' GF2 A 12 3.490 17.878 -7.647 1.00 0.00 H new TER 377 GF2 A 12 HETATM 378 N1 CFZ B 13 -3.930 12.766 -8.539 1.00 0.00 N HETATM 379 C2 CFZ B 13 -2.745 13.529 -8.507 1.00 0.00 C HETATM 380 O2 CFZ B 13 -2.265 13.959 -9.566 1.00 0.00 O HETATM 381 N3 CFZ B 13 -2.145 13.760 -7.276 1.00 0.00 N HETATM 382 C4 CFZ B 13 -2.667 13.212 -6.159 1.00 0.00 C HETATM 383 N4 CFZ B 13 -2.134 13.424 -4.965 1.00 0.00 N HETATM 384 C5 CFZ B 13 -3.836 12.399 -6.210 1.00 0.00 C HETATM 385 C6 CFZ B 13 -4.426 12.190 -7.404 1.00 0.00 C HETATM 386 C1' CFZ B 13 -4.662 12.580 -9.820 1.00 0.00 C HETATM 387 C2' CFZ B 13 -4.044 11.481 -10.680 1.00 0.00 C HETATM 388 F2' CFZ B 13 -3.316 12.253 -11.563 1.00 0.00 F HETATM 389 C3' CFZ B 13 -5.264 10.673 -11.126 1.00 0.00 C HETATM 390 O3' CFZ B 13 -5.142 10.103 -12.418 1.00 0.00 O HETATM 391 C4' CFZ B 13 -6.399 11.669 -10.932 1.00 0.00 C HETATM 392 O4' CFZ B 13 -6.039 12.259 -9.682 1.00 0.00 O HETATM 393 C5' CFZ B 13 -7.792 11.031 -10.872 1.00 0.00 C HETATM 394 O5' CFZ B 13 -7.957 10.252 -9.702 1.00 0.00 O HETATM 0 HN4A CFZ B 13 -2.550 12.997 -4.138 1.00 0.00 H new HETATM 0 H5'A CFZ B 13 -8.552 11.812 -10.900 1.00 0.00 H new HETATM 0 HN4 CFZ B 13 -1.308 14.015 -4.873 1.00 0.00 H new HETATM 0 H6 CFZ B 13 -5.309 11.554 -7.464 1.00 0.00 H new HETATM 0 H5' CFZ B 13 -7.945 10.405 -11.751 1.00 0.00 H new HETATM 0 H5 CFZ B 13 -4.245 11.955 -5.302 1.00 0.00 H new HETATM 0 H4' CFZ B 13 -6.493 12.365 -11.765 1.00 0.00 H new HETATM 0 H3' CFZ B 13 -5.425 9.761 -10.551 1.00 0.00 H new HETATM 0 H2' CFZ B 13 -3.359 10.719 -10.307 1.00 0.00 H new HETATM 0 H1' CFZ B 13 -4.576 13.559 -10.291 1.00 0.00 H new HETATM 406 F GF2 B 14 2.385 10.231 -12.187 1.00 0.00 F HETATM 407 P GF2 B 14 -4.334 8.720 -12.635 1.00 0.00 P HETATM 408 N1 GF2 B 14 3.049 12.618 -7.049 1.00 0.00 N HETATM 409 C2 GF2 B 14 3.412 12.672 -8.360 1.00 0.00 C HETATM 410 N2 GF2 B 14 4.615 13.106 -8.642 1.00 0.00 N HETATM 411 N3 GF2 B 14 2.641 12.271 -9.370 1.00 0.00 N HETATM 412 C4 GF2 B 14 1.444 11.769 -8.954 1.00 0.00 C HETATM 413 C5 GF2 B 14 0.988 11.660 -7.657 1.00 0.00 C HETATM 414 C6 GF2 B 14 1.837 12.134 -6.595 1.00 0.00 C HETATM 415 O6 GF2 B 14 1.634 12.173 -5.385 1.00 0.00 O HETATM 416 N7 GF2 B 14 -0.275 11.059 -7.647 1.00 0.00 N HETATM 417 C8 GF2 B 14 -0.526 10.828 -8.906 1.00 0.00 C HETATM 418 N9 GF2 B 14 0.460 11.253 -9.760 1.00 0.00 N HETATM 419 C1' GF2 B 14 0.547 11.096 -11.230 1.00 0.00 C HETATM 420 OP2 GF2 B 14 -4.705 7.804 -11.537 1.00 0.00 O HETATM 421 C2' GF2 B 14 1.225 9.783 -11.590 1.00 0.00 C HETATM 422 OP1 GF2 B 14 -4.497 8.309 -14.045 1.00 0.00 O HETATM 423 C3' GF2 B 14 0.194 9.024 -12.423 1.00 0.00 C HETATM 424 O3' GF2 B 14 0.774 8.146 -13.386 1.00 0.00 O HETATM 425 C4' GF2 B 14 -0.659 10.190 -12.932 1.00 0.00 C HETATM 426 O4' GF2 B 14 -0.750 11.037 -11.787 1.00 0.00 O HETATM 427 C5' GF2 B 14 -2.056 9.800 -13.424 1.00 0.00 C HETATM 428 O5' GF2 B 14 -2.803 9.164 -12.401 1.00 0.00 O HETATM 0 HN2A GF2 B 14 4.923 13.161 -9.613 1.00 0.00 H new HETATM 0 H5'A GF2 B 14 -2.586 10.690 -13.764 1.00 0.00 H new HETATM 0 HN2 GF2 B 14 5.244 13.389 -7.891 1.00 0.00 H new HETATM 0 HN1 GF2 B 14 3.716 12.957 -6.356 1.00 0.00 H new HETATM 0 H8 GF2 B 14 -1.438 10.340 -9.249 1.00 0.00 H new HETATM 0 H5' GF2 B 14 -1.969 9.133 -14.282 1.00 0.00 H new HETATM 0 H4' GF2 B 14 -0.206 10.647 -13.812 1.00 0.00 H new HETATM 0 H3' GF2 B 14 -0.408 8.286 -11.893 1.00 0.00 H new HETATM 0 H2' GF2 B 14 1.515 9.067 -10.821 1.00 0.00 H new HETATM 0 H1' GF2 B 14 1.112 11.945 -11.614 1.00 0.00 H new HETATM 439 P CFZ B 15 1.551 6.773 -12.981 1.00 0.00 P HETATM 440 N1 CFZ B 15 4.444 8.948 -8.701 1.00 0.00 N HETATM 441 C2 CFZ B 15 4.876 9.474 -7.481 1.00 0.00 C HETATM 442 O2 CFZ B 15 6.015 9.911 -7.354 1.00 0.00 O HETATM 443 N3 CFZ B 15 4.049 9.480 -6.408 1.00 0.00 N HETATM 444 C4 CFZ B 15 2.840 8.956 -6.517 1.00 0.00 C HETATM 445 N4 CFZ B 15 2.081 9.014 -5.450 1.00 0.00 N HETATM 446 C5 CFZ B 15 2.355 8.386 -7.738 1.00 0.00 C HETATM 447 C6 CFZ B 15 3.199 8.390 -8.805 1.00 0.00 C HETATM 448 C1' CFZ B 15 5.406 8.887 -9.840 1.00 0.00 C HETATM 449 O1P CFZ B 15 1.931 6.025 -14.192 1.00 0.00 O HETATM 450 C2' CFZ B 15 6.137 7.574 -9.859 1.00 0.00 C HETATM 451 F2' CFZ B 15 7.468 7.901 -9.935 1.00 0.00 F HETATM 452 O2P CFZ B 15 0.870 6.047 -11.887 1.00 0.00 O HETATM 453 C3' CFZ B 15 5.524 6.802 -11.030 1.00 0.00 C HETATM 454 O3' CFZ B 15 6.315 5.722 -11.542 1.00 0.00 O HETATM 455 C4' CFZ B 15 5.163 7.964 -11.954 1.00 0.00 C HETATM 456 O4' CFZ B 15 4.704 8.983 -11.069 1.00 0.00 O HETATM 457 C5' CFZ B 15 4.059 7.623 -12.965 1.00 0.00 C HETATM 458 O5' CFZ B 15 2.915 7.180 -12.256 1.00 0.00 O HETATM 0 HN4A CFZ B 15 1.138 8.626 -5.473 1.00 0.00 H new HETATM 0 H5'A CFZ B 15 3.815 8.498 -13.567 1.00 0.00 H new HETATM 0 HN4 CFZ B 15 2.433 9.447 -4.596 1.00 0.00 H new HETATM 0 H6 CFZ B 15 2.881 7.946 -9.748 1.00 0.00 H new HETATM 0 H5' CFZ B 15 4.401 6.849 -13.652 1.00 0.00 H new HETATM 0 H5 CFZ B 15 1.352 7.966 -7.809 1.00 0.00 H new HETATM 0 H4' CFZ B 15 6.023 8.250 -12.560 1.00 0.00 H new HETATM 0 H3' CFZ B 15 4.658 6.184 -10.792 1.00 0.00 H new HETATM 0 H2' CFZ B 15 6.048 6.921 -8.991 1.00 0.00 H new HETATM 0 H1' CFZ B 15 6.109 9.711 -9.716 1.00 0.00 H new HETATM 469 F GF2 B 16 10.329 5.574 -5.209 1.00 0.00 F HETATM 470 P GF2 B 16 6.369 4.333 -10.714 1.00 0.00 P HETATM 471 N1 GF2 B 16 6.197 7.361 -1.821 1.00 0.00 N HETATM 472 C2 GF2 B 16 7.516 7.445 -2.144 1.00 0.00 C HETATM 473 N2 GF2 B 16 8.357 7.772 -1.191 1.00 0.00 N HETATM 474 N3 GF2 B 16 8.011 7.208 -3.357 1.00 0.00 N HETATM 475 C4 GF2 B 16 7.046 6.893 -4.268 1.00 0.00 C HETATM 476 C5 GF2 B 16 5.690 6.770 -4.049 1.00 0.00 C HETATM 477 C6 GF2 B 16 5.203 6.991 -2.713 1.00 0.00 C HETATM 478 O6 GF2 B 16 4.063 6.892 -2.263 1.00 0.00 O HETATM 479 N7 GF2 B 16 5.041 6.414 -5.240 1.00 0.00 N HETATM 480 C8 GF2 B 16 6.011 6.338 -6.110 1.00 0.00 C HETATM 481 N9 GF2 B 16 7.252 6.610 -5.594 1.00 0.00 N HETATM 482 C1' GF2 B 16 8.563 6.502 -6.264 1.00 0.00 C HETATM 483 OP2 GF2 B 16 4.968 4.063 -10.293 1.00 0.00 O HETATM 484 C2' GF2 B 16 9.226 5.174 -5.925 1.00 0.00 C HETATM 485 OP1 GF2 B 16 7.159 3.274 -11.386 1.00 0.00 O HETATM 486 C3' GF2 B 16 9.364 4.497 -7.282 1.00 0.00 C HETATM 487 O3' GF2 B 16 10.506 3.669 -7.438 1.00 0.00 O HETATM 488 C4' GF2 B 16 9.240 5.631 -8.283 1.00 0.00 C HETATM 489 O4' GF2 B 16 8.330 6.517 -7.658 1.00 0.00 O HETATM 490 C5' GF2 B 16 8.646 5.129 -9.608 1.00 0.00 C HETATM 491 O5' GF2 B 16 7.283 4.701 -9.441 1.00 0.00 O HETATM 0 HN2A GF2 B 16 9.354 7.845 -1.394 1.00 0.00 H new HETATM 0 H5'A GF2 B 16 8.691 5.923 -10.353 1.00 0.00 H new HETATM 0 HN2 GF2 B 16 8.014 7.953 -0.248 1.00 0.00 H new HETATM 0 HN1 GF2 B 16 5.923 7.584 -0.864 1.00 0.00 H new HETATM 0 H8 GF2 B 16 5.849 6.080 -7.157 1.00 0.00 H new HETATM 0 H5' GF2 B 16 9.245 4.301 -9.987 1.00 0.00 H new HETATM 0 H4' GF2 B 16 10.201 6.085 -8.525 1.00 0.00 H new HETATM 0 H3' GF2 B 16 8.586 3.748 -7.432 1.00 0.00 H new HETATM 0 H2' GF2 B 16 8.745 4.419 -5.302 1.00 0.00 H new HETATM 0 H1' GF2 B 16 9.205 7.322 -5.942 1.00 0.00 H new HETATM 502 F AF2 B 17 10.706 2.786 0.016 1.00 0.00 F HETATM 503 P AF2 B 17 10.473 2.129 -6.981 1.00 0.00 P HETATM 504 N1 AF2 B 17 5.102 4.504 0.952 1.00 0.00 N HETATM 505 C2 AF2 B 17 6.365 4.497 1.366 1.00 0.00 C HETATM 506 N3 AF2 B 17 7.459 4.291 0.635 1.00 0.00 N HETATM 507 C4 AF2 B 17 7.165 4.077 -0.680 1.00 0.00 C HETATM 508 C5 AF2 B 17 5.914 4.051 -1.245 1.00 0.00 C HETATM 509 C6 AF2 B 17 4.851 4.297 -0.342 1.00 0.00 C HETATM 510 N6 AF2 B 17 3.568 4.375 -0.671 1.00 0.00 N HETATM 511 N7 AF2 B 17 5.989 3.783 -2.617 1.00 0.00 N HETATM 512 C8 AF2 B 17 7.271 3.674 -2.826 1.00 0.00 C HETATM 513 N9 AF2 B 17 8.052 3.836 -1.711 1.00 0.00 N HETATM 514 C1' AF2 B 17 9.532 3.742 -1.643 1.00 0.00 C HETATM 515 OP2 AF2 B 17 9.218 1.590 -7.578 1.00 0.00 O HETATM 516 C2' AF2 B 17 9.992 2.395 -1.100 1.00 0.00 C HETATM 517 OP1 AF2 B 17 11.768 1.520 -7.337 1.00 0.00 O HETATM 518 C3' AF2 B 17 10.734 1.733 -2.269 1.00 0.00 C HETATM 519 O3' AF2 B 17 11.758 0.823 -1.866 1.00 0.00 O HETATM 520 C4' AF2 B 17 11.153 2.947 -3.090 1.00 0.00 C HETATM 521 O4' AF2 B 17 10.020 3.800 -2.975 1.00 0.00 O HETATM 522 C5' AF2 B 17 11.473 2.658 -4.572 1.00 0.00 C HETATM 523 O5' AF2 B 17 10.357 2.221 -5.360 1.00 0.00 O HETATM 0 HN6A AF2 B 17 3.280 4.231 -1.639 1.00 0.00 H new HETATM 0 H5'A AF2 B 17 11.884 3.562 -5.022 1.00 0.00 H new HETATM 0 HN6 AF2 B 17 2.870 4.579 0.044 1.00 0.00 H new HETATM 0 H8 AF2 B 17 7.690 3.470 -3.811 1.00 0.00 H new HETATM 0 H5' AF2 B 17 12.251 1.896 -4.618 1.00 0.00 H new HETATM 0 H4' AF2 B 17 12.090 3.364 -2.720 1.00 0.00 H new HETATM 0 H3' AF2 B 17 10.137 1.040 -2.862 1.00 0.00 H new HETATM 0 H2' AF2 B 17 9.274 1.639 -0.781 1.00 0.00 H new HETATM 0 H2 AF2 B 17 6.524 4.682 2.428 1.00 0.00 H new HETATM 0 H1' AF2 B 17 9.893 4.543 -0.998 1.00 0.00 H new HETATM 534 F AF2 B 18 8.346 0.251 4.700 1.00 0.00 F HETATM 535 P AF2 B 18 11.392 -0.675 -1.373 1.00 0.00 P HETATM 536 N1 AF2 B 18 3.038 1.801 3.155 1.00 0.00 N HETATM 537 C2 AF2 B 18 4.035 1.754 4.039 1.00 0.00 C HETATM 538 N3 AF2 B 18 5.324 1.537 3.804 1.00 0.00 N HETATM 539 C4 AF2 B 18 5.582 1.342 2.484 1.00 0.00 C HETATM 540 C5 AF2 B 18 4.674 1.348 1.462 1.00 0.00 C HETATM 541 C6 AF2 B 18 3.347 1.628 1.863 1.00 0.00 C HETATM 542 N6 AF2 B 18 2.337 1.740 1.015 1.00 0.00 N HETATM 543 N7 AF2 B 18 5.293 1.063 0.237 1.00 0.00 N HETATM 544 C8 AF2 B 18 6.549 0.921 0.571 1.00 0.00 C HETATM 545 N9 AF2 B 18 6.807 1.094 1.910 1.00 0.00 N HETATM 546 C1' AF2 B 18 8.106 1.042 2.620 1.00 0.00 C HETATM 547 OP2 AF2 B 18 10.397 -1.269 -2.288 1.00 0.00 O HETATM 548 C2' AF2 B 18 8.268 -0.244 3.414 1.00 0.00 C HETATM 549 OP1 AF2 B 18 12.605 -1.459 -1.054 1.00 0.00 O HETATM 550 C3' AF2 B 18 9.497 -0.917 2.808 1.00 0.00 C HETATM 551 O3' AF2 B 18 10.199 -1.777 3.701 1.00 0.00 O HETATM 552 C4' AF2 B 18 10.239 0.293 2.264 1.00 0.00 C HETATM 553 O4' AF2 B 18 9.167 1.036 1.687 1.00 0.00 O HETATM 554 C5' AF2 B 18 11.287 -0.052 1.200 1.00 0.00 C HETATM 555 O5' AF2 B 18 10.639 -0.544 0.033 1.00 0.00 O HETATM 0 HN6A AF2 B 18 2.496 1.621 0.014 1.00 0.00 H new HETATM 0 H5'A AF2 B 18 11.876 0.832 0.956 1.00 0.00 H new HETATM 0 HN6 AF2 B 18 1.400 1.945 1.362 1.00 0.00 H new HETATM 0 H8 AF2 B 18 7.328 0.685 -0.154 1.00 0.00 H new HETATM 0 H5' AF2 B 18 11.979 -0.800 1.586 1.00 0.00 H new HETATM 0 H4' AF2 B 18 10.815 0.811 3.031 1.00 0.00 H new HETATM 0 H3' AF2 B 18 9.292 -1.655 2.032 1.00 0.00 H new HETATM 0 H2' AF2 B 18 7.502 -1.019 3.401 1.00 0.00 H new HETATM 0 H2 AF2 B 18 3.759 1.913 5.081 1.00 0.00 H new HETATM 0 H1' AF2 B 18 8.127 1.911 3.278 1.00 0.00 H new HETATM 566 P TAF B 19 9.640 -3.264 4.024 1.00 0.00 P HETATM 567 OP1 TAF B 19 10.589 -3.950 4.925 1.00 0.00 O HETATM 568 OP2 TAF B 19 9.293 -3.868 2.717 1.00 0.00 O HETATM 569 O5' TAF B 19 8.283 -3.001 4.866 1.00 0.00 O HETATM 570 N1 TAF B 19 4.018 -1.443 4.645 1.00 0.00 N HETATM 571 C6 TAF B 19 4.560 -1.843 3.442 1.00 0.00 C HETATM 572 C2 TAF B 19 2.657 -1.148 4.749 1.00 0.00 C HETATM 573 O2 TAF B 19 2.115 -0.857 5.811 1.00 0.00 O HETATM 574 N3 TAF B 19 1.911 -1.212 3.591 1.00 0.00 N HETATM 575 C4 TAF B 19 2.383 -1.553 2.334 1.00 0.00 C HETATM 576 O4 TAF B 19 1.623 -1.530 1.355 1.00 0.00 O HETATM 577 C5 TAF B 19 3.801 -1.912 2.314 1.00 0.00 C HETATM 578 C5M TAF B 19 4.440 -2.388 1.024 1.00 0.00 C HETATM 579 F2' TAF B 19 4.444 -3.862 5.645 1.00 0.00 F HETATM 580 C2' TAF B 19 4.728 -2.863 6.568 1.00 0.00 C HETATM 581 C5' TAF B 19 8.337 -2.386 6.153 1.00 0.00 C HETATM 582 C4' TAF B 19 6.962 -1.943 6.689 1.00 0.00 C HETATM 583 O4' TAF B 19 6.201 -1.268 5.690 1.00 0.00 O HETATM 584 C1' TAF B 19 4.820 -1.493 5.903 1.00 0.00 C HETATM 585 C3' TAF B 19 6.117 -3.127 7.173 1.00 0.00 C HETATM 586 O3' TAF B 19 6.147 -3.268 8.607 1.00 0.00 O HETATM 0 H5'' TAF B 19 8.785 -3.084 6.860 1.00 0.00 H new HETATM 0 H73 TAF B 19 5.262 -1.724 0.759 1.00 0.00 H new HETATM 0 H72 TAF B 19 4.820 -3.401 1.158 1.00 0.00 H new HETATM 0 H71 TAF B 19 3.697 -2.383 0.226 1.00 0.00 H new HETATM 0 H6 TAF B 19 5.616 -2.109 3.393 1.00 0.00 H new HETATM 0 H5' TAF B 19 8.994 -1.518 6.103 1.00 0.00 H new HETATM 0 H4' TAF B 19 7.181 -1.276 7.523 1.00 0.00 H new HETATM 0 H3' TAF B 19 6.496 -4.095 6.846 1.00 0.00 H new HETATM 0 H3 TAF B 19 0.919 -0.987 3.667 1.00 0.00 H new HETATM 0 H2' TAF B 19 3.930 -2.871 7.311 1.00 0.00 H new HETATM 0 H1' TAF B 19 4.397 -0.705 6.526 1.00 0.00 H new HETATM 598 P UFT B 20 5.527 -4.559 9.378 1.00 0.00 P HETATM 599 OP1 UFT B 20 5.970 -4.548 10.786 1.00 0.00 O HETATM 600 OP2 UFT B 20 5.864 -5.729 8.532 1.00 0.00 O HETATM 601 O5' UFT B 20 3.938 -4.277 9.381 1.00 0.00 O HETATM 602 N1 UFT B 20 0.253 -3.758 6.826 1.00 0.00 N HETATM 603 C6 UFT B 20 1.297 -4.161 6.019 1.00 0.00 C HETATM 604 C2 UFT B 20 -1.018 -3.560 6.282 1.00 0.00 C HETATM 605 O2 UFT B 20 -1.979 -3.177 6.944 1.00 0.00 O HETATM 606 N3 UFT B 20 -1.173 -3.813 4.935 1.00 0.00 N HETATM 607 C4 UFT B 20 -0.182 -4.225 4.073 1.00 0.00 C HETATM 608 O4 UFT B 20 -0.434 -4.430 2.890 1.00 0.00 O HETATM 609 C5 UFT B 20 1.112 -4.389 4.693 1.00 0.00 C HETATM 610 F2' UFT B 20 -0.397 -5.536 9.448 1.00 0.00 F HETATM 611 C2' UFT B 20 0.615 -4.640 9.208 1.00 0.00 C HETATM 612 C5' UFT B 20 3.460 -3.115 10.045 1.00 0.00 C HETATM 613 C4' UFT B 20 1.961 -2.836 9.887 1.00 0.00 C HETATM 614 O4' UFT B 20 1.600 -2.675 8.518 1.00 0.00 O HETATM 615 C1' UFT B 20 0.432 -3.446 8.272 1.00 0.00 C HETATM 616 C3' UFT B 20 1.021 -3.899 10.479 1.00 0.00 C HETATM 617 O3' UFT B 20 -0.030 -3.105 11.031 1.00 0.00 O HETATM 0 H5'A UFT B 20 3.685 -3.206 11.108 1.00 0.00 H new HETATM 0 HN3 UFT B 20 -2.105 -3.683 4.542 1.00 0.00 H new HETATM 0 H6 UFT B 20 2.287 -4.299 6.453 1.00 0.00 H new HETATM 0 H5' UFT B 20 4.014 -2.252 9.675 1.00 0.00 H new HETATM 0 H5 UFT B 20 1.959 -4.703 4.083 1.00 0.00 H new HETATM 0 H4' UFT B 20 1.824 -1.918 10.458 1.00 0.00 H new HETATM 0 H3' UFT B 20 1.378 -4.595 11.238 1.00 0.00 H new HETATM 0 H2' UFT B 20 1.301 -5.353 8.750 1.00 0.00 H new HETATM 0 H1' UFT B 20 -0.507 -2.934 8.483 1.00 0.00 H new HETATM 627 P CFL B 21 -1.009 -3.706 12.156 1.00 0.00 P HETATM 628 O1P CFL B 21 -1.515 -2.496 12.840 1.00 0.00 O HETATM 629 O2P CFL B 21 -0.265 -4.747 12.900 1.00 0.00 O HETATM 630 O5' CFL B 21 -2.251 -4.368 11.356 1.00 0.00 O HETATM 631 C5' CFL B 21 -3.371 -3.578 10.954 1.00 0.00 C HETATM 632 C4' CFL B 21 -4.480 -4.319 10.185 1.00 0.00 C HETATM 633 O4' CFL B 21 -4.139 -4.491 8.820 1.00 0.00 O HETATM 634 C3' CFL B 21 -4.862 -5.692 10.758 1.00 0.00 C HETATM 635 O3' CFL B 21 -6.210 -5.762 11.269 1.00 0.00 O HETATM 636 C2' CFL B 21 -4.537 -6.666 9.621 1.00 0.00 C HETATM 637 C1' CFL B 21 -4.606 -5.761 8.399 1.00 0.00 C HETATM 638 N1 CFL B 21 -3.877 -6.190 7.167 1.00 0.00 N HETATM 639 C2 CFL B 21 -4.594 -6.253 5.966 1.00 0.00 C HETATM 640 O2 CFL B 21 -5.804 -6.056 5.929 1.00 0.00 O HETATM 641 N3 CFL B 21 -3.968 -6.552 4.803 1.00 0.00 N HETATM 642 C4 CFL B 21 -2.672 -6.795 4.822 1.00 0.00 C HETATM 643 N4 CFL B 21 -2.140 -7.024 3.651 1.00 0.00 N HETATM 644 C5 CFL B 21 -1.877 -6.730 6.005 1.00 0.00 C HETATM 645 C6 CFL B 21 -2.522 -6.428 7.161 1.00 0.00 C HETATM 646 F CFL B 21 -3.273 -7.168 9.790 1.00 0.00 F HETATM 0 HN42 CFL B 21 -1.142 -7.221 3.574 1.00 0.00 H new HETATM 0 HN41 CFL B 21 -2.722 -7.006 2.814 1.00 0.00 H new HETATM 0 H5'2 CFL B 21 -3.812 -3.129 11.844 1.00 0.00 H new HETATM 0 H5'1 CFL B 21 -3.009 -2.760 10.331 1.00 0.00 H new HETATM 0 H6 CFL B 21 -1.961 -6.374 8.094 1.00 0.00 H new HETATM 0 H5 CFL B 21 -0.803 -6.914 5.982 1.00 0.00 H new HETATM 0 H4' CFL B 21 -5.348 -3.669 10.295 1.00 0.00 H new HETATM 0 H3' CFL B 21 -4.302 -5.940 11.659 1.00 0.00 H new HETATM 0 H2' CFL B 21 -5.201 -7.528 9.558 1.00 0.00 H new HETATM 0 H1' CFL B 21 -5.644 -5.779 8.067 1.00 0.00 H new HETATM 657 F GF2 B 22 -8.593 -10.922 6.511 1.00 0.00 F HETATM 658 P GF2 B 22 -6.795 -7.114 11.958 1.00 0.00 P HETATM 659 N1 GF2 B 22 -5.668 -10.175 2.126 1.00 0.00 N HETATM 660 C2 GF2 B 22 -6.919 -10.065 2.653 1.00 0.00 C HETATM 661 N2 GF2 B 22 -7.949 -10.224 1.862 1.00 0.00 N HETATM 662 N3 GF2 B 22 -7.171 -9.787 3.923 1.00 0.00 N HETATM 663 C4 GF2 B 22 -6.044 -9.693 4.683 1.00 0.00 C HETATM 664 C5 GF2 B 22 -4.739 -9.824 4.269 1.00 0.00 C HETATM 665 C6 GF2 B 22 -4.499 -10.044 2.861 1.00 0.00 C HETATM 666 O6 GF2 B 22 -3.442 -10.133 2.234 1.00 0.00 O HETATM 667 N7 GF2 B 22 -3.886 -9.717 5.381 1.00 0.00 N HETATM 668 C8 GF2 B 22 -4.693 -9.491 6.386 1.00 0.00 C HETATM 669 N9 GF2 B 22 -6.018 -9.448 6.029 1.00 0.00 N HETATM 670 C1' GF2 B 22 -7.235 -9.192 6.827 1.00 0.00 C HETATM 671 OP2 GF2 B 22 -5.662 -7.808 12.612 1.00 0.00 O HETATM 672 C2' GF2 B 22 -7.810 -10.417 7.522 1.00 0.00 C HETATM 673 OP1 GF2 B 22 -8.051 -6.902 12.705 1.00 0.00 O HETATM 674 C3' GF2 B 22 -8.511 -9.778 8.722 1.00 0.00 C HETATM 675 O3' GF2 B 22 -9.850 -10.211 8.935 1.00 0.00 O HETATM 676 C4' GF2 B 22 -8.314 -8.276 8.512 1.00 0.00 C HETATM 677 O4' GF2 B 22 -7.077 -8.204 7.816 1.00 0.00 O HETATM 678 C5' GF2 B 22 -8.263 -7.471 9.810 1.00 0.00 C HETATM 679 O5' GF2 B 22 -7.276 -7.980 10.703 1.00 0.00 O HETATM 0 HN2A GF2 B 22 -8.895 -10.146 2.235 1.00 0.00 H new HETATM 0 H5'A GF2 B 22 -8.046 -6.427 9.583 1.00 0.00 H new HETATM 0 HN2 GF2 B 22 -7.806 -10.426 0.873 1.00 0.00 H new HETATM 0 HN1 GF2 B 22 -5.585 -10.366 1.127 1.00 0.00 H new HETATM 0 H8 GF2 B 22 -4.346 -9.350 7.410 1.00 0.00 H new HETATM 0 H5' GF2 B 22 -9.240 -7.496 10.293 1.00 0.00 H new HETATM 0 H4' GF2 B 22 -9.154 -7.837 7.973 1.00 0.00 H new HETATM 0 H3' GF2 B 22 -8.077 -10.097 9.670 1.00 0.00 H new HETATM 0 H2' GF2 B 22 -7.194 -11.229 7.909 1.00 0.00 H new HETATM 0 H1' GF2 B 22 -7.927 -8.849 6.058 1.00 0.00 H new HETATM 690 P CFL B 23 -10.186 -11.672 9.537 1.00 0.00 P HETATM 691 O1P CFL B 23 -11.595 -11.635 9.973 1.00 0.00 O HETATM 692 O2P CFL B 23 -9.130 -11.921 10.544 1.00 0.00 O HETATM 693 O5' CFL B 23 -10.054 -12.731 8.301 1.00 0.00 O HETATM 694 C5' CFL B 23 -11.098 -12.860 7.327 1.00 0.00 C HETATM 695 C4' CFL B 23 -10.878 -13.819 6.127 1.00 0.00 C HETATM 696 O4' CFL B 23 -9.866 -13.329 5.256 1.00 0.00 O HETATM 697 C3' CFL B 23 -10.545 -15.303 6.396 1.00 0.00 C HETATM 698 O3' CFL B 23 -11.264 -16.161 5.478 1.00 0.00 O HETATM 699 C2' CFL B 23 -9.050 -15.360 6.163 1.00 0.00 C HETATM 700 C1' CFL B 23 -8.985 -14.406 4.968 1.00 0.00 C HETATM 701 N1 CFL B 23 -7.625 -13.903 4.654 1.00 0.00 N HETATM 702 C2 CFL B 23 -7.081 -14.146 3.391 1.00 0.00 C HETATM 703 O2 CFL B 23 -7.731 -14.690 2.503 1.00 0.00 O HETATM 704 N3 CFL B 23 -5.800 -13.795 3.118 1.00 0.00 N HETATM 705 C4 CFL B 23 -5.079 -13.216 4.064 1.00 0.00 C HETATM 706 N4 CFL B 23 -3.847 -12.912 3.740 1.00 0.00 N HETATM 707 C5 CFL B 23 -5.606 -12.901 5.354 1.00 0.00 C HETATM 708 C6 CFL B 23 -6.889 -13.260 5.607 1.00 0.00 C HETATM 709 F CFL B 23 -8.330 -14.956 7.270 1.00 0.00 F HETATM 0 HN42 CFL B 23 -3.236 -12.463 4.423 1.00 0.00 H new HETATM 0 HN41 CFL B 23 -3.498 -13.124 2.805 1.00 0.00 H new HETATM 0 H5'2 CFL B 23 -11.999 -13.183 7.848 1.00 0.00 H new HETATM 0 H5'1 CFL B 23 -11.301 -11.867 6.925 1.00 0.00 H new HETATM 0 H6 CFL B 23 -7.335 -13.034 6.576 1.00 0.00 H new HETATM 0 H5 CFL B 23 -5.001 -12.393 6.105 1.00 0.00 H new HETATM 0 H4' CFL B 23 -11.881 -13.821 5.699 1.00 0.00 H new HETATM 0 H3' CFL B 23 -10.830 -15.645 7.391 1.00 0.00 H new HETATM 0 H2' CFL B 23 -8.614 -16.342 5.983 1.00 0.00 H new HETATM 0 H1' CFL B 23 -9.280 -14.955 4.074 1.00 0.00 H new HETATM 720 F GF2 B 24 -5.443 -19.625 6.502 1.00 0.00 F HETATM 721 P GF2 B 24 -11.186 -17.797 5.470 1.00 0.00 P HETATM 722 N1 GF2 B 24 -2.294 -16.669 1.852 1.00 0.00 N HETATM 723 C2 GF2 B 24 -3.364 -17.368 1.418 1.00 0.00 C HETATM 724 N2 GF2 B 24 -3.315 -17.709 0.156 1.00 0.00 N HETATM 725 N3 GF2 B 24 -4.429 -17.660 2.148 1.00 0.00 N HETATM 726 C4 GF2 B 24 -4.384 -17.084 3.388 1.00 0.00 C HETATM 727 C5 GF2 B 24 -3.386 -16.284 3.905 1.00 0.00 C HETATM 728 C6 GF2 B 24 -2.224 -16.043 3.082 1.00 0.00 C HETATM 729 O6 GF2 B 24 -1.195 -15.408 3.299 1.00 0.00 O HETATM 730 N7 GF2 B 24 -3.730 -15.887 5.202 1.00 0.00 N HETATM 731 C8 GF2 B 24 -4.867 -16.490 5.428 1.00 0.00 C HETATM 732 N9 GF2 B 24 -5.273 -17.319 4.408 1.00 0.00 N HETATM 733 C1' GF2 B 24 -6.081 -18.562 4.452 1.00 0.00 C HETATM 734 OP2 GF2 B 24 -11.171 -18.275 6.866 1.00 0.00 O HETATM 735 C2' GF2 B 24 -6.516 -19.088 5.819 1.00 0.00 C HETATM 736 OP1 GF2 B 24 -12.205 -18.298 4.524 1.00 0.00 O HETATM 737 C3' GF2 B 24 -7.481 -20.180 5.356 1.00 0.00 C HETATM 738 O3' GF2 B 24 -6.689 -21.327 5.073 1.00 0.00 O HETATM 739 C4' GF2 B 24 -8.038 -19.687 4.004 1.00 0.00 C HETATM 740 O4' GF2 B 24 -7.233 -18.576 3.625 1.00 0.00 O HETATM 741 C5' GF2 B 24 -9.524 -19.290 4.027 1.00 0.00 C HETATM 742 O5' GF2 B 24 -9.739 -18.167 4.864 1.00 0.00 O HETATM 0 HO3' GF2 B 24 -5.803 -21.221 5.478 1.00 0.00 H new HETATM 0 HN2A GF2 B 24 -4.081 -18.240 -0.259 1.00 0.00 H new HETATM 0 H5'A GF2 B 24 -9.859 -19.062 3.015 1.00 0.00 H new HETATM 0 HN2 GF2 B 24 -2.511 -17.444 -0.413 1.00 0.00 H new HETATM 0 HN1 GF2 B 24 -1.486 -16.598 1.233 1.00 0.00 H new HETATM 0 H8 GF2 B 24 -5.442 -16.349 6.343 1.00 0.00 H new HETATM 0 H5' GF2 B 24 -10.123 -20.130 4.379 1.00 0.00 H new HETATM 0 H4' GF2 B 24 -7.993 -20.509 3.290 1.00 0.00 H new HETATM 0 H3' GF2 B 24 -8.262 -20.395 6.085 1.00 0.00 H new HETATM 0 H2' GF2 B 24 -6.935 -18.350 6.503 1.00 0.00 H new HETATM 0 H1' GF2 B 24 -5.316 -19.233 4.061 1.00 0.00 H new TER 754 GF2 B 24