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 33:sc= -0.118 USER MOD Single : B 24 GF2 O3' : rot 21:sc= -0.0761 USER MOD ----------------------------------------------------------------- HETATM 1 N1 CFZ A 1 0.320 -17.023 -3.945 1.00 0.00 N HETATM 2 C2 CFZ A 1 -0.550 -17.569 -2.974 1.00 0.00 C HETATM 3 O2 CFZ A 1 -1.314 -18.496 -3.265 1.00 0.00 O HETATM 4 N3 CFZ A 1 -0.515 -17.049 -1.691 1.00 0.00 N HETATM 5 C4 CFZ A 1 0.352 -16.065 -1.385 1.00 0.00 C HETATM 6 N4 CFZ A 1 0.435 -15.601 -0.150 1.00 0.00 N HETATM 7 C5 CFZ A 1 1.240 -15.532 -2.363 1.00 0.00 C HETATM 8 C6 CFZ A 1 1.189 -16.021 -3.617 1.00 0.00 C HETATM 9 C1' CFZ A 1 0.299 -17.511 -5.351 1.00 0.00 C HETATM 10 C2' CFZ A 1 -0.677 -16.734 -6.239 1.00 0.00 C HETATM 11 F2' CFZ A 1 -1.733 -17.622 -6.259 1.00 0.00 F HETATM 12 C3' CFZ A 1 0.152 -16.429 -7.497 1.00 0.00 C HETATM 13 O3' CFZ A 1 -0.563 -16.372 -8.729 1.00 0.00 O HETATM 14 C4' CFZ A 1 1.228 -17.506 -7.401 1.00 0.00 C HETATM 15 O4' CFZ A 1 1.554 -17.458 -6.011 1.00 0.00 O HETATM 16 C5' CFZ A 1 2.467 -17.252 -8.267 1.00 0.00 C HETATM 17 O5' CFZ A 1 3.184 -16.124 -7.804 1.00 0.00 O HETATM 0 HN4A CFZ A 1 1.095 -14.856 0.071 1.00 0.00 H new HETATM 0 H5'A CFZ A 1 3.113 -18.130 -8.251 1.00 0.00 H new HETATM 0 HN4 CFZ A 1 -0.161 -15.989 0.582 1.00 0.00 H new HETATM 0 H6 CFZ A 1 1.850 -15.612 -4.381 1.00 0.00 H new HETATM 0 H5' CFZ A 1 2.166 -17.096 -9.303 1.00 0.00 H new HETATM 0 H5 CFZ A 1 1.947 -14.744 -2.102 1.00 0.00 H new HETATM 0 H4' CFZ A 1 0.875 -18.470 -7.768 1.00 0.00 H new HETATM 0 H3' CFZ A 1 0.546 -15.413 -7.517 1.00 0.00 H new HETATM 0 H2' CFZ A 1 -1.097 -15.762 -5.981 1.00 0.00 H new HETATM 0 H1' CFZ A 1 -0.012 -18.549 -5.232 1.00 0.00 H new HETATM 29 F GF2 A 2 -7.024 -14.776 -5.223 1.00 0.00 F HETATM 30 P GF2 A 2 -1.440 -15.078 -9.150 1.00 0.00 P HETATM 31 N1 GF2 A 2 -5.230 -14.699 0.142 1.00 0.00 N HETATM 32 C2 GF2 A 2 -6.150 -15.201 -0.728 1.00 0.00 C HETATM 33 N2 GF2 A 2 -7.349 -15.459 -0.270 1.00 0.00 N HETATM 34 N3 GF2 A 2 -5.928 -15.406 -2.024 1.00 0.00 N HETATM 35 C4 GF2 A 2 -4.666 -15.056 -2.401 1.00 0.00 C HETATM 36 C5 GF2 A 2 -3.655 -14.566 -1.602 1.00 0.00 C HETATM 37 C6 GF2 A 2 -3.931 -14.375 -0.202 1.00 0.00 C HETATM 38 O6 GF2 A 2 -3.196 -13.991 0.705 1.00 0.00 O HETATM 39 N7 GF2 A 2 -2.505 -14.355 -2.373 1.00 0.00 N HETATM 40 C8 GF2 A 2 -2.869 -14.687 -3.582 1.00 0.00 C HETATM 41 N9 GF2 A 2 -4.165 -15.125 -3.676 1.00 0.00 N HETATM 42 C1' GF2 A 2 -4.937 -15.542 -4.869 1.00 0.00 C HETATM 43 OP2 GF2 A 2 -0.738 -13.812 -8.864 1.00 0.00 O HETATM 44 C2' GF2 A 2 -5.724 -14.391 -5.477 1.00 0.00 C HETATM 45 OP1 GF2 A 2 -2.034 -15.222 -10.489 1.00 0.00 O HETATM 46 C3' GF2 A 2 -5.240 -14.332 -6.922 1.00 0.00 C HETATM 47 O3' GF2 A 2 -6.204 -13.835 -7.847 1.00 0.00 O HETATM 48 C4' GF2 A 2 -4.738 -15.759 -7.116 1.00 0.00 C HETATM 49 O4' GF2 A 2 -4.073 -16.012 -5.883 1.00 0.00 O HETATM 50 C5' GF2 A 2 -3.774 -15.917 -8.293 1.00 0.00 C HETATM 51 O5' GF2 A 2 -2.671 -15.045 -8.142 1.00 0.00 O HETATM 0 HN2A GF2 A 2 -8.063 -15.836 -0.894 1.00 0.00 H new HETATM 0 H5'A GF2 A 2 -3.426 -16.948 -8.351 1.00 0.00 H new HETATM 0 HN2 GF2 A 2 -7.569 -15.283 0.710 1.00 0.00 H new HETATM 0 HN1 GF2 A 2 -5.518 -14.553 1.109 1.00 0.00 H new HETATM 0 H8 GF2 A 2 -2.201 -14.622 -4.441 1.00 0.00 H new HETATM 0 H5' GF2 A 2 -4.292 -15.702 -9.228 1.00 0.00 H new HETATM 0 H4' GF2 A 2 -5.548 -16.449 -7.352 1.00 0.00 H new HETATM 0 H3' GF2 A 2 -4.460 -13.598 -7.123 1.00 0.00 H new HETATM 0 H2' GF2 A 2 -5.614 -13.372 -5.105 1.00 0.00 H new HETATM 0 H1' GF2 A 2 -5.617 -16.321 -4.524 1.00 0.00 H new HETATM 62 P CFZ A 3 -6.471 -12.245 -7.979 1.00 0.00 P HETATM 63 N1 CFZ A 3 -6.960 -11.747 -2.142 1.00 0.00 N HETATM 64 C2 CFZ A 3 -6.816 -11.659 -0.758 1.00 0.00 C HETATM 65 O2 CFZ A 3 -7.786 -11.786 -0.016 1.00 0.00 O HETATM 66 N3 CFZ A 3 -5.606 -11.392 -0.214 1.00 0.00 N HETATM 67 C4 CFZ A 3 -4.565 -11.199 -1.009 1.00 0.00 C HETATM 68 N4 CFZ A 3 -3.422 -10.948 -0.421 1.00 0.00 N HETATM 69 C5 CFZ A 3 -4.658 -11.288 -2.434 1.00 0.00 C HETATM 70 C6 CFZ A 3 -5.880 -11.556 -2.963 1.00 0.00 C HETATM 71 C1' CFZ A 3 -8.323 -11.910 -2.714 1.00 0.00 C HETATM 72 O1P CFZ A 3 -7.449 -12.000 -9.060 1.00 0.00 O HETATM 73 C2' CFZ A 3 -8.961 -10.573 -3.006 1.00 0.00 C HETATM 74 F2' CFZ A 3 -10.176 -10.623 -2.362 1.00 0.00 F HETATM 75 O2P CFZ A 3 -5.132 -11.610 -8.045 1.00 0.00 O HETATM 76 C3' CFZ A 3 -8.973 -10.476 -4.534 1.00 0.00 C HETATM 77 O3' CFZ A 3 -10.043 -9.689 -5.055 1.00 0.00 O HETATM 78 C4' CFZ A 3 -9.024 -11.955 -4.906 1.00 0.00 C HETATM 79 O4' CFZ A 3 -8.210 -12.603 -3.943 1.00 0.00 O HETATM 80 C5' CFZ A 3 -8.547 -12.265 -6.333 1.00 0.00 C HETATM 81 O5' CFZ A 3 -7.202 -11.856 -6.583 1.00 0.00 O HETATM 0 HN4A CFZ A 3 -2.584 -10.791 -0.981 1.00 0.00 H new HETATM 0 H5'A CFZ A 3 -8.632 -13.337 -6.512 1.00 0.00 H new HETATM 0 HN4 CFZ A 3 -3.370 -10.910 0.597 1.00 0.00 H new HETATM 0 H6 CFZ A 3 -6.002 -11.619 -4.044 1.00 0.00 H new HETATM 0 H5' CFZ A 3 -9.208 -11.770 -7.045 1.00 0.00 H new HETATM 0 H5 CFZ A 3 -3.784 -11.146 -3.069 1.00 0.00 H new HETATM 0 H4' CFZ A 3 -10.057 -12.304 -4.899 1.00 0.00 H new HETATM 0 H3' CFZ A 3 -8.121 -9.947 -4.961 1.00 0.00 H new HETATM 0 H2' CFZ A 3 -8.467 -9.668 -2.651 1.00 0.00 H new HETATM 0 H1' CFZ A 3 -8.935 -12.449 -1.991 1.00 0.00 H new HETATM 92 F GF2 A 4 -10.995 -6.338 1.661 1.00 0.00 F HETATM 93 P GF2 A 4 -10.022 -8.079 -5.060 1.00 0.00 P HETATM 94 N1 GF2 A 4 -5.767 -7.163 3.570 1.00 0.00 N HETATM 95 C2 GF2 A 4 -7.105 -7.149 3.827 1.00 0.00 C HETATM 96 N2 GF2 A 4 -7.482 -6.908 5.057 1.00 0.00 N HETATM 97 N3 GF2 A 4 -8.057 -7.326 2.910 1.00 0.00 N HETATM 98 C4 GF2 A 4 -7.552 -7.555 1.663 1.00 0.00 C HETATM 99 C5 GF2 A 4 -6.220 -7.583 1.295 1.00 0.00 C HETATM 100 C6 GF2 A 4 -5.225 -7.340 2.310 1.00 0.00 C HETATM 101 O6 GF2 A 4 -3.997 -7.272 2.221 1.00 0.00 O HETATM 102 N7 GF2 A 4 -6.115 -7.858 -0.074 1.00 0.00 N HETATM 103 C8 GF2 A 4 -7.353 -7.971 -0.470 1.00 0.00 C HETATM 104 N9 GF2 A 4 -8.285 -7.778 0.519 1.00 0.00 N HETATM 105 C1' GF2 A 4 -9.765 -7.745 0.390 1.00 0.00 C HETATM 106 OP2 GF2 A 4 -8.676 -7.733 -5.554 1.00 0.00 O HETATM 107 C2' GF2 A 4 -10.310 -6.325 0.468 1.00 0.00 C HETATM 108 OP1 GF2 A 4 -11.133 -7.683 -5.938 1.00 0.00 O HETATM 109 C3' GF2 A 4 -11.060 -6.132 -0.854 1.00 0.00 C HETATM 110 O3' GF2 A 4 -12.154 -5.207 -0.795 1.00 0.00 O HETATM 111 C4' GF2 A 4 -11.313 -7.564 -1.321 1.00 0.00 C HETATM 112 O4' GF2 A 4 -10.129 -8.226 -0.891 1.00 0.00 O HETATM 113 C5' GF2 A 4 -11.455 -7.741 -2.849 1.00 0.00 C HETATM 114 O5' GF2 A 4 -10.244 -7.487 -3.566 1.00 0.00 O HETATM 0 HN2A GF2 A 4 -8.474 -6.889 5.292 1.00 0.00 H new HETATM 0 H5'A GF2 A 4 -11.787 -8.758 -3.060 1.00 0.00 H new HETATM 0 HN2 GF2 A 4 -6.783 -6.740 5.781 1.00 0.00 H new HETATM 0 HN1 GF2 A 4 -5.127 -7.035 4.354 1.00 0.00 H new HETATM 0 H8 GF2 A 4 -7.625 -8.200 -1.501 1.00 0.00 H new HETATM 0 H5' GF2 A 4 -12.232 -7.070 -3.214 1.00 0.00 H new HETATM 0 H4' GF2 A 4 -12.257 -7.937 -0.924 1.00 0.00 H new HETATM 0 H3' GF2 A 4 -10.498 -5.597 -1.619 1.00 0.00 H new HETATM 0 H2' GF2 A 4 -9.645 -5.463 0.518 1.00 0.00 H new HETATM 0 H1' GF2 A 4 -10.169 -8.349 1.202 1.00 0.00 H new HETATM 125 F AF2 A 5 -9.466 -1.742 5.325 1.00 0.00 F HETATM 126 P AF2 A 5 -11.879 -3.610 -0.815 1.00 0.00 P HETATM 127 N1 AF2 A 5 -3.918 -3.551 4.776 1.00 0.00 N HETATM 128 C2 AF2 A 5 -4.937 -3.241 5.570 1.00 0.00 C HETATM 129 N3 AF2 A 5 -6.233 -3.241 5.269 1.00 0.00 N HETATM 130 C4 AF2 A 5 -6.452 -3.617 3.978 1.00 0.00 C HETATM 131 C5 AF2 A 5 -5.509 -3.954 3.043 1.00 0.00 C HETATM 132 C6 AF2 A 5 -4.180 -3.917 3.514 1.00 0.00 C HETATM 133 N6 AF2 A 5 -3.134 -4.222 2.765 1.00 0.00 N HETATM 134 N7 AF2 A 5 -6.100 -4.248 1.809 1.00 0.00 N HETATM 135 C8 AF2 A 5 -7.370 -4.078 2.045 1.00 0.00 C HETATM 136 N9 AF2 A 5 -7.661 -3.707 3.333 1.00 0.00 N HETATM 137 C1' AF2 A 5 -8.988 -3.411 3.909 1.00 0.00 C HETATM 138 OP2 AF2 A 5 -10.879 -3.382 -1.889 1.00 0.00 O HETATM 139 C2' AF2 A 5 -9.242 -1.911 3.974 1.00 0.00 C HETATM 140 OP1 AF2 A 5 -13.141 -2.832 -0.812 1.00 0.00 O HETATM 141 C3' AF2 A 5 -10.405 -1.679 3.010 1.00 0.00 C HETATM 142 O3' AF2 A 5 -11.243 -0.581 3.356 1.00 0.00 O HETATM 143 C4' AF2 A 5 -11.061 -3.057 3.028 1.00 0.00 C HETATM 144 O4' AF2 A 5 -9.958 -3.944 3.031 1.00 0.00 O HETATM 145 C5' AF2 A 5 -11.945 -3.343 1.813 1.00 0.00 C HETATM 146 O5' AF2 A 5 -11.198 -3.273 0.599 1.00 0.00 O HETATM 0 HN6A AF2 A 5 -3.267 -4.508 1.795 1.00 0.00 H new HETATM 0 H5'A AF2 A 5 -12.392 -4.332 1.911 1.00 0.00 H new HETATM 0 HN6 AF2 A 5 -2.194 -4.171 3.157 1.00 0.00 H new HETATM 0 H8 AF2 A 5 -8.137 -4.219 1.283 1.00 0.00 H new HETATM 0 H5' AF2 A 5 -12.764 -2.625 1.780 1.00 0.00 H new HETATM 0 H4' AF2 A 5 -11.731 -3.152 3.882 1.00 0.00 H new HETATM 0 H3' AF2 A 5 -10.114 -1.359 2.010 1.00 0.00 H new HETATM 0 H2' AF2 A 5 -8.480 -1.195 3.666 1.00 0.00 H new HETATM 0 H2 AF2 A 5 -4.681 -2.952 6.589 1.00 0.00 H new HETATM 0 H1' AF2 A 5 -9.035 -3.833 4.913 1.00 0.00 H new HETATM 157 F AF2 A 6 -5.411 1.795 7.604 1.00 0.00 F HETATM 158 P AF2 A 6 -10.770 0.956 3.170 1.00 0.00 P HETATM 159 N1 AF2 A 6 -1.132 -0.594 4.684 1.00 0.00 N HETATM 160 C2 AF2 A 6 -1.674 -0.246 5.847 1.00 0.00 C HETATM 161 N3 AF2 A 6 -2.963 -0.041 6.116 1.00 0.00 N HETATM 162 C4 AF2 A 6 -3.755 -0.220 5.024 1.00 0.00 C HETATM 163 C5 AF2 A 6 -3.343 -0.575 3.766 1.00 0.00 C HETATM 164 C6 AF2 A 6 -1.949 -0.779 3.638 1.00 0.00 C HETATM 165 N6 AF2 A 6 -1.364 -1.141 2.509 1.00 0.00 N HETATM 166 N7 AF2 A 6 -4.424 -0.630 2.879 1.00 0.00 N HETATM 167 C8 AF2 A 6 -5.436 -0.303 3.633 1.00 0.00 C HETATM 168 N9 AF2 A 6 -5.126 -0.077 4.947 1.00 0.00 N HETATM 169 C1' AF2 A 6 -6.053 0.338 6.031 1.00 0.00 C HETATM 170 OP2 AF2 A 6 -10.279 1.128 1.783 1.00 0.00 O HETATM 171 C2' AF2 A 6 -5.892 1.816 6.313 1.00 0.00 C HETATM 172 OP1 AF2 A 6 -11.838 1.853 3.636 1.00 0.00 O HETATM 173 C3' AF2 A 6 -7.261 2.439 6.003 1.00 0.00 C HETATM 174 O3' AF2 A 6 -7.555 3.648 6.722 1.00 0.00 O HETATM 175 C4' AF2 A 6 -8.173 1.230 6.194 1.00 0.00 C HETATM 176 O4' AF2 A 6 -7.395 0.192 5.599 1.00 0.00 O HETATM 177 C5' AF2 A 6 -9.550 1.328 5.507 1.00 0.00 C HETATM 178 O5' AF2 A 6 -9.467 1.242 4.085 1.00 0.00 O HETATM 0 HN6A AF2 A 6 -1.925 -1.299 1.672 1.00 0.00 H new HETATM 0 H5'A AF2 A 6 -10.193 0.530 5.878 1.00 0.00 H new HETATM 0 HN6 AF2 A 6 -0.352 -1.262 2.475 1.00 0.00 H new HETATM 0 H8 AF2 A 6 -6.451 -0.216 3.247 1.00 0.00 H new HETATM 0 H5' AF2 A 6 -10.022 2.271 5.782 1.00 0.00 H new HETATM 0 H4' AF2 A 6 -8.438 1.094 7.242 1.00 0.00 H new HETATM 0 H3' AF2 A 6 -7.369 2.868 5.007 1.00 0.00 H new HETATM 0 H2' AF2 A 6 -5.207 2.435 5.734 1.00 0.00 H new HETATM 0 H2 AF2 A 6 -0.982 -0.113 6.679 1.00 0.00 H new HETATM 0 H1' AF2 A 6 -5.830 -0.274 6.905 1.00 0.00 H new HETATM 189 P TAF A 7 -6.830 5.051 6.313 1.00 0.00 P HETATM 190 OP1 TAF A 7 -7.330 6.196 7.120 1.00 0.00 O HETATM 191 OP2 TAF A 7 -6.830 5.121 4.836 1.00 0.00 O HETATM 192 O5' TAF A 7 -5.320 4.841 6.814 1.00 0.00 O HETATM 193 N1 TAF A 7 -1.476 3.360 5.843 1.00 0.00 N HETATM 194 C6 TAF A 7 -2.484 3.244 4.908 1.00 0.00 C HETATM 195 C2 TAF A 7 -0.148 3.067 5.511 1.00 0.00 C HETATM 196 O2 TAF A 7 0.792 3.216 6.286 1.00 0.00 O HETATM 197 N3 TAF A 7 0.089 2.634 4.225 1.00 0.00 N HETATM 198 C4 TAF A 7 -0.855 2.519 3.228 1.00 0.00 C HETATM 199 O4 TAF A 7 -0.485 2.172 2.112 1.00 0.00 O HETATM 200 C5 TAF A 7 -2.219 2.855 3.632 1.00 0.00 C HETATM 201 C5M TAF A 7 -3.347 2.801 2.615 1.00 0.00 C HETATM 202 F2' TAF A 7 -2.483 5.905 5.918 1.00 0.00 F HETATM 203 C2' TAF A 7 -1.861 5.504 7.089 1.00 0.00 C HETATM 204 C5' TAF A 7 -5.038 4.721 8.205 1.00 0.00 C HETATM 205 C4' TAF A 7 -3.543 4.546 8.515 1.00 0.00 C HETATM 206 O4' TAF A 7 -2.959 3.511 7.732 1.00 0.00 O HETATM 207 C1' TAF A 7 -1.740 3.979 7.174 1.00 0.00 C HETATM 208 C3' TAF A 7 -2.756 5.840 8.273 1.00 0.00 C HETATM 209 O3' TAF A 7 -2.102 6.348 9.458 1.00 0.00 O HETATM 0 H5'' TAF A 7 -5.406 5.608 8.720 1.00 0.00 H new HETATM 0 H73 TAF A 7 -4.110 2.101 2.955 1.00 0.00 H new HETATM 0 H72 TAF A 7 -3.787 3.792 2.506 1.00 0.00 H new HETATM 0 H71 TAF A 7 -2.954 2.471 1.653 1.00 0.00 H new HETATM 0 H6 TAF A 7 -3.511 3.468 5.197 1.00 0.00 H new HETATM 0 H5' TAF A 7 -5.586 3.869 8.607 1.00 0.00 H new HETATM 0 H4' TAF A 7 -3.486 4.279 9.570 1.00 0.00 H new HETATM 0 H3' TAF A 7 -3.388 6.695 8.034 1.00 0.00 H new HETATM 0 H3 TAF A 7 1.047 2.376 3.990 1.00 0.00 H new HETATM 0 H2' TAF A 7 -0.889 5.996 7.101 1.00 0.00 H new HETATM 0 H1' TAF A 7 -0.889 3.698 7.795 1.00 0.00 H new HETATM 221 P UFT A 8 -1.588 7.887 9.531 1.00 0.00 P HETATM 222 OP1 UFT A 8 -1.188 8.304 10.896 1.00 0.00 O HETATM 223 OP2 UFT A 8 -2.558 8.710 8.775 1.00 0.00 O HETATM 224 O5' UFT A 8 -0.189 7.822 8.752 1.00 0.00 O HETATM 225 N1 UFT A 8 2.148 5.966 4.849 1.00 0.00 N HETATM 226 C6 UFT A 8 0.858 6.187 4.408 1.00 0.00 C HETATM 227 C2 UFT A 8 3.123 5.471 3.981 1.00 0.00 C HETATM 228 O2 UFT A 8 4.283 5.255 4.319 1.00 0.00 O HETATM 229 N3 UFT A 8 2.740 5.248 2.681 1.00 0.00 N HETATM 230 C4 UFT A 8 1.494 5.474 2.152 1.00 0.00 C HETATM 231 O4 UFT A 8 1.312 5.306 0.951 1.00 0.00 O HETATM 232 C5 UFT A 8 0.519 5.951 3.112 1.00 0.00 C HETATM 233 F2' UFT A 8 4.378 7.629 6.091 1.00 0.00 F HETATM 234 C2' UFT A 8 3.032 7.787 6.323 1.00 0.00 C HETATM 235 C5' UFT A 8 0.891 7.072 9.303 1.00 0.00 C HETATM 236 C4' UFT A 8 2.026 6.883 8.302 1.00 0.00 C HETATM 237 O4' UFT A 8 1.556 6.183 7.166 1.00 0.00 O HETATM 238 C1' UFT A 8 2.585 6.331 6.222 1.00 0.00 C HETATM 239 C3' UFT A 8 2.585 8.187 7.734 1.00 0.00 C HETATM 240 O3' UFT A 8 3.575 8.826 8.544 1.00 0.00 O HETATM 0 H5'A UFT A 8 1.270 7.581 10.189 1.00 0.00 H new HETATM 0 HN3 UFT A 8 3.450 4.879 2.048 1.00 0.00 H new HETATM 0 H6 UFT A 8 0.105 6.554 5.105 1.00 0.00 H new HETATM 0 H5' UFT A 8 0.527 6.097 9.627 1.00 0.00 H new HETATM 0 H5 UFT A 8 -0.507 6.124 2.789 1.00 0.00 H new HETATM 0 H4' UFT A 8 2.798 6.359 8.865 1.00 0.00 H new HETATM 0 H3' UFT A 8 1.844 8.986 7.713 1.00 0.00 H new HETATM 0 H2' UFT A 8 2.652 8.566 5.662 1.00 0.00 H new HETATM 0 H1' UFT A 8 3.412 5.652 6.431 1.00 0.00 H new HETATM 250 P CFL A 9 4.072 10.339 8.280 1.00 0.00 P HETATM 251 O1P CFL A 9 4.867 10.680 9.481 1.00 0.00 O HETATM 252 O2P CFL A 9 2.904 11.163 7.926 1.00 0.00 O HETATM 253 O5' CFL A 9 5.101 10.301 7.038 1.00 0.00 O HETATM 254 C5' CFL A 9 6.383 9.681 7.170 1.00 0.00 C HETATM 255 C4' CFL A 9 7.261 9.693 5.904 1.00 0.00 C HETATM 256 O4' CFL A 9 6.782 8.822 4.891 1.00 0.00 O HETATM 257 C3' CFL A 9 7.402 11.088 5.298 1.00 0.00 C HETATM 258 O3' CFL A 9 8.752 11.571 5.275 1.00 0.00 O HETATM 259 C2' CFL A 9 6.699 10.985 3.947 1.00 0.00 C HETATM 260 C1' CFL A 9 6.826 9.499 3.643 1.00 0.00 C HETATM 261 N1 CFL A 9 5.790 8.944 2.720 1.00 0.00 N HETATM 262 C2 CFL A 9 6.167 8.515 1.442 1.00 0.00 C HETATM 263 O2 CFL A 9 7.342 8.536 1.078 1.00 0.00 O HETATM 264 N3 CFL A 9 5.234 8.072 0.564 1.00 0.00 N HETATM 265 C4 CFL A 9 3.964 8.031 0.934 1.00 0.00 C HETATM 266 N4 CFL A 9 3.111 7.577 0.048 1.00 0.00 N HETATM 267 C5 CFL A 9 3.527 8.418 2.240 1.00 0.00 C HETATM 268 C6 CFL A 9 4.474 8.868 3.103 1.00 0.00 C HETATM 269 F CFL A 9 5.378 11.333 4.094 1.00 0.00 F HETATM 0 HN42 CFL A 9 2.119 7.522 0.277 1.00 0.00 H new HETATM 0 HN41 CFL A 9 3.440 7.278 -0.870 1.00 0.00 H new HETATM 0 H5'2 CFL A 9 6.927 10.179 7.973 1.00 0.00 H new HETATM 0 H5'1 CFL A 9 6.236 8.646 7.479 1.00 0.00 H new HETATM 0 H6 CFL A 9 4.186 9.172 4.110 1.00 0.00 H new HETATM 0 H5 CFL A 9 2.478 8.354 2.530 1.00 0.00 H new HETATM 0 H4' CFL A 9 8.234 9.345 6.249 1.00 0.00 H new HETATM 0 H3' CFL A 9 6.934 11.863 5.905 1.00 0.00 H new HETATM 0 H2' CFL A 9 7.109 11.629 3.169 1.00 0.00 H new HETATM 0 H1' CFL A 9 7.764 9.350 3.108 1.00 0.00 H new HETATM 280 F GF2 A 10 9.094 13.142 -1.970 1.00 0.00 F HETATM 281 P GF2 A 10 9.059 13.124 4.929 1.00 0.00 P HETATM 282 N1 GF2 A 10 5.406 10.190 -4.392 1.00 0.00 N HETATM 283 C2 GF2 A 10 6.743 10.407 -4.275 1.00 0.00 C HETATM 284 N2 GF2 A 10 7.484 10.305 -5.350 1.00 0.00 N HETATM 285 N3 GF2 A 10 7.346 10.785 -3.153 1.00 0.00 N HETATM 286 C4 GF2 A 10 6.475 10.985 -2.123 1.00 0.00 C HETATM 287 C5 GF2 A 10 5.109 10.813 -2.135 1.00 0.00 C HETATM 288 C6 GF2 A 10 4.498 10.350 -3.360 1.00 0.00 C HETATM 289 O6 GF2 A 10 3.319 10.120 -3.625 1.00 0.00 O HETATM 290 N7 GF2 A 10 4.577 11.192 -0.894 1.00 0.00 N HETATM 291 C8 GF2 A 10 5.622 11.558 -0.197 1.00 0.00 C HETATM 292 N9 GF2 A 10 6.809 11.452 -0.875 1.00 0.00 N HETATM 293 C1' GF2 A 10 8.190 11.774 -0.448 1.00 0.00 C HETATM 294 OP2 GF2 A 10 7.870 13.886 5.415 1.00 0.00 O HETATM 295 C2' GF2 A 10 8.613 13.220 -0.682 1.00 0.00 C HETATM 296 OP1 GF2 A 10 10.429 13.500 5.338 1.00 0.00 O HETATM 297 C3' GF2 A 10 9.619 13.446 0.447 1.00 0.00 C HETATM 298 O3' GF2 A 10 10.863 14.028 0.065 1.00 0.00 O HETATM 299 C4' GF2 A 10 9.708 12.095 1.147 1.00 0.00 C HETATM 300 O4' GF2 A 10 8.429 11.515 0.919 1.00 0.00 O HETATM 301 C5' GF2 A 10 10.021 12.228 2.641 1.00 0.00 C HETATM 302 O5' GF2 A 10 9.077 13.056 3.323 1.00 0.00 O HETATM 0 HN2A GF2 A 10 8.490 10.462 -5.293 1.00 0.00 H new HETATM 0 H5'A GF2 A 10 10.029 11.238 3.097 1.00 0.00 H new HETATM 0 HN2 GF2 A 10 7.055 10.068 -6.245 1.00 0.00 H new HETATM 0 HN1 GF2 A 10 5.049 9.890 -5.299 1.00 0.00 H new HETATM 0 H8 GF2 A 10 5.555 11.915 0.831 1.00 0.00 H new HETATM 0 H5' GF2 A 10 11.021 12.644 2.764 1.00 0.00 H new HETATM 0 H4' GF2 A 10 10.523 11.483 0.762 1.00 0.00 H new HETATM 0 H3' GF2 A 10 9.279 14.226 1.129 1.00 0.00 H new HETATM 0 H2' GF2 A 10 7.907 14.049 -0.640 1.00 0.00 H new HETATM 0 H1' GF2 A 10 8.777 11.112 -1.085 1.00 0.00 H new HETATM 313 P CFL A 11 11.008 15.598 -0.264 1.00 0.00 P HETATM 314 O1P CFL A 11 12.450 15.893 -0.227 1.00 0.00 O HETATM 315 O2P CFL A 11 10.159 16.259 0.755 1.00 0.00 O HETATM 316 O5' CFL A 11 10.448 15.819 -1.782 1.00 0.00 O HETATM 317 C5' CFL A 11 11.232 15.427 -2.918 1.00 0.00 C HETATM 318 C4' CFL A 11 10.613 15.586 -4.330 1.00 0.00 C HETATM 319 O4' CFL A 11 9.551 14.669 -4.556 1.00 0.00 O HETATM 320 C3' CFL A 11 10.084 16.969 -4.747 1.00 0.00 C HETATM 321 O3' CFL A 11 10.472 17.236 -6.117 1.00 0.00 O HETATM 322 C2' CFL A 11 8.581 16.831 -4.568 1.00 0.00 C HETATM 323 C1' CFL A 11 8.445 15.395 -5.079 1.00 0.00 C HETATM 324 N1 CFL A 11 7.173 14.723 -4.716 1.00 0.00 N HETATM 325 C2 CFL A 11 6.347 14.235 -5.732 1.00 0.00 C HETATM 326 O2 CFL A 11 6.685 14.272 -6.913 1.00 0.00 O HETATM 327 N3 CFL A 11 5.131 13.720 -5.432 1.00 0.00 N HETATM 328 C4 CFL A 11 4.752 13.665 -4.166 1.00 0.00 C HETATM 329 N4 CFL A 11 3.555 13.184 -3.947 1.00 0.00 N HETATM 330 C5 CFL A 11 5.591 14.076 -3.085 1.00 0.00 C HETATM 331 C6 CFL A 11 6.800 14.604 -3.406 1.00 0.00 C HETATM 332 F CFL A 11 8.188 17.017 -3.258 1.00 0.00 F HETATM 0 HN42 CFL A 11 3.200 13.114 -2.993 1.00 0.00 H new HETATM 0 HN41 CFL A 11 2.977 12.879 -4.730 1.00 0.00 H new HETATM 0 H5'2 CFL A 11 12.159 16.000 -2.895 1.00 0.00 H new HETATM 0 H5'1 CFL A 11 11.502 14.379 -2.790 1.00 0.00 H new HETATM 0 H6 CFL A 11 7.475 14.934 -2.617 1.00 0.00 H new HETATM 0 H5 CFL A 11 5.274 13.970 -2.047 1.00 0.00 H new HETATM 0 H4' CFL A 11 11.494 15.393 -4.942 1.00 0.00 H new HETATM 0 H3' CFL A 11 10.476 17.806 -4.169 1.00 0.00 H new HETATM 0 H2' CFL A 11 7.951 17.561 -5.077 1.00 0.00 H new HETATM 0 H1' CFL A 11 8.435 15.424 -6.169 1.00 0.00 H new HETATM 343 F GF2 A 12 4.724 20.271 -5.865 1.00 0.00 F HETATM 344 P GF2 A 12 9.961 18.507 -6.981 1.00 0.00 P HETATM 345 N1 GF2 A 12 0.785 15.151 -6.889 1.00 0.00 N HETATM 346 C2 GF2 A 12 1.515 15.635 -7.915 1.00 0.00 C HETATM 347 N2 GF2 A 12 1.038 15.366 -9.099 1.00 0.00 N HETATM 348 N3 GF2 A 12 2.637 16.324 -7.801 1.00 0.00 N HETATM 349 C4 GF2 A 12 3.029 16.466 -6.499 1.00 0.00 C HETATM 350 C5 GF2 A 12 2.379 16.008 -5.374 1.00 0.00 C HETATM 351 C6 GF2 A 12 1.140 15.282 -5.559 1.00 0.00 C HETATM 352 O6 GF2 A 12 0.348 14.802 -4.751 1.00 0.00 O HETATM 353 N7 GF2 A 12 3.085 16.423 -4.237 1.00 0.00 N HETATM 354 C8 GF2 A 12 4.096 17.108 -4.710 1.00 0.00 C HETATM 355 N9 GF2 A 12 4.114 17.199 -6.085 1.00 0.00 N HETATM 356 C1' GF2 A 12 4.800 18.122 -7.026 1.00 0.00 C HETATM 357 OP2 GF2 A 12 10.021 19.706 -6.121 1.00 0.00 O HETATM 358 C2' GF2 A 12 5.528 19.362 -6.524 1.00 0.00 C HETATM 359 OP1 GF2 A 12 10.758 18.604 -8.223 1.00 0.00 O HETATM 360 C3' GF2 A 12 5.940 19.870 -7.909 1.00 0.00 C HETATM 361 O3' GF2 A 12 4.763 20.328 -8.564 1.00 0.00 O HETATM 362 C4' GF2 A 12 6.377 18.568 -8.621 1.00 0.00 C HETATM 363 O4' GF2 A 12 5.740 17.513 -7.896 1.00 0.00 O HETATM 364 C5' GF2 A 12 7.899 18.347 -8.668 1.00 0.00 C HETATM 365 O5' GF2 A 12 8.425 18.224 -7.356 1.00 0.00 O HETATM 0 HO3' GF2 A 12 4.142 20.696 -7.901 1.00 0.00 H new HETATM 0 HN2A GF2 A 12 1.527 15.694 -9.932 1.00 0.00 H new HETATM 0 H5'A GF2 A 12 8.124 17.448 -9.242 1.00 0.00 H new HETATM 0 HN2 GF2 A 12 0.176 14.828 -9.192 1.00 0.00 H new HETATM 0 HN1 GF2 A 12 -0.081 14.659 -7.108 1.00 0.00 H new HETATM 0 H8 GF2 A 12 4.854 17.565 -4.074 1.00 0.00 H new HETATM 0 H5' GF2 A 12 8.378 19.181 -9.181 1.00 0.00 H new HETATM 0 H4' GF2 A 12 6.085 18.613 -9.670 1.00 0.00 H new HETATM 0 H3' GF2 A 12 6.693 20.658 -7.894 1.00 0.00 H new HETATM 0 H2' GF2 A 12 6.306 19.189 -5.780 1.00 0.00 H new HETATM 0 H1' GF2 A 12 3.874 18.444 -7.502 1.00 0.00 H new TER 377 GF2 A 12 HETATM 378 N1 CFZ B 13 -3.119 13.214 -9.931 1.00 0.00 N HETATM 379 C2 CFZ B 13 -2.043 14.070 -9.609 1.00 0.00 C HETATM 380 O2 CFZ B 13 -1.541 14.786 -10.482 1.00 0.00 O HETATM 381 N3 CFZ B 13 -1.581 14.092 -8.303 1.00 0.00 N HETATM 382 C4 CFZ B 13 -2.171 13.323 -7.370 1.00 0.00 C HETATM 383 N4 CFZ B 13 -1.785 13.384 -6.108 1.00 0.00 N HETATM 384 C5 CFZ B 13 -3.261 12.463 -7.698 1.00 0.00 C HETATM 385 C6 CFZ B 13 -3.693 12.424 -8.976 1.00 0.00 C HETATM 386 C1' CFZ B 13 -3.653 13.171 -11.319 1.00 0.00 C HETATM 387 C2' CFZ B 13 -2.924 12.173 -12.221 1.00 0.00 C HETATM 388 F2' CFZ B 13 -2.025 13.021 -12.838 1.00 0.00 F HETATM 389 C3' CFZ B 13 -4.075 11.506 -12.989 1.00 0.00 C HETATM 390 O3' CFZ B 13 -3.772 11.127 -14.329 1.00 0.00 O HETATM 391 C4' CFZ B 13 -5.203 12.520 -12.806 1.00 0.00 C HETATM 392 O4' CFZ B 13 -5.036 12.881 -11.434 1.00 0.00 O HETATM 393 C5' CFZ B 13 -6.613 11.976 -13.064 1.00 0.00 C HETATM 394 O5' CFZ B 13 -6.971 11.006 -12.097 1.00 0.00 O HETATM 0 HN4A CFZ B 13 -2.238 12.797 -5.407 1.00 0.00 H new HETATM 0 H5'A CFZ B 13 -7.331 12.796 -13.044 1.00 0.00 H new HETATM 0 HN4 CFZ B 13 -1.034 14.018 -5.834 1.00 0.00 H new HETATM 0 H6 CFZ B 13 -4.509 11.755 -9.249 1.00 0.00 H new HETATM 0 H5' CFZ B 13 -6.659 11.535 -14.060 1.00 0.00 H new HETATM 0 H5 CFZ B 13 -3.735 11.850 -6.932 1.00 0.00 H new HETATM 0 H4' CFZ B 13 -5.134 13.337 -13.524 1.00 0.00 H new HETATM 0 H3' CFZ B 13 -4.340 10.519 -12.609 1.00 0.00 H new HETATM 0 H2' CFZ B 13 -2.340 11.327 -11.858 1.00 0.00 H new HETATM 0 H1' CFZ B 13 -3.479 14.197 -11.644 1.00 0.00 H new HETATM 406 F GF2 B 14 3.587 10.416 -12.954 1.00 0.00 F HETATM 407 P GF2 B 14 -3.035 9.720 -14.674 1.00 0.00 P HETATM 408 N1 GF2 B 14 3.762 12.866 -7.777 1.00 0.00 N HETATM 409 C2 GF2 B 14 4.267 12.930 -9.039 1.00 0.00 C HETATM 410 N2 GF2 B 14 5.480 13.402 -9.186 1.00 0.00 N HETATM 411 N3 GF2 B 14 3.612 12.534 -10.131 1.00 0.00 N HETATM 412 C4 GF2 B 14 2.364 12.058 -9.855 1.00 0.00 C HETATM 413 C5 GF2 B 14 1.758 11.963 -8.620 1.00 0.00 C HETATM 414 C6 GF2 B 14 2.502 12.391 -7.465 1.00 0.00 C HETATM 415 O6 GF2 B 14 2.176 12.408 -6.281 1.00 0.00 O HETATM 416 N7 GF2 B 14 0.466 11.447 -8.765 1.00 0.00 N HETATM 417 C8 GF2 B 14 0.351 11.233 -10.046 1.00 0.00 C HETATM 418 N9 GF2 B 14 1.465 11.573 -10.773 1.00 0.00 N HETATM 419 C1' GF2 B 14 1.717 11.431 -12.224 1.00 0.00 C HETATM 420 OP2 GF2 B 14 -3.597 8.641 -13.842 1.00 0.00 O HETATM 421 C2' GF2 B 14 2.305 10.074 -12.588 1.00 0.00 C HETATM 422 OP1 GF2 B 14 -2.957 9.535 -16.136 1.00 0.00 O HETATM 423 C3' GF2 B 14 1.360 9.523 -13.657 1.00 0.00 C HETATM 424 O3' GF2 B 14 1.986 8.655 -14.610 1.00 0.00 O HETATM 425 C4' GF2 B 14 0.730 10.822 -14.163 1.00 0.00 C HETATM 426 O4' GF2 B 14 0.514 11.545 -12.956 1.00 0.00 O HETATM 427 C5' GF2 B 14 -0.586 10.645 -14.924 1.00 0.00 C HETATM 428 O5' GF2 B 14 -1.526 9.908 -14.161 1.00 0.00 O HETATM 0 HN2A GF2 B 14 5.893 13.466 -10.116 1.00 0.00 H new HETATM 0 H5'A GF2 B 14 -1.001 11.623 -15.170 1.00 0.00 H new HETATM 0 HN2 GF2 B 14 6.011 13.706 -8.370 1.00 0.00 H new HETATM 0 HN1 GF2 B 14 4.352 13.190 -7.011 1.00 0.00 H new HETATM 0 H8 GF2 B 14 -0.550 10.821 -10.500 1.00 0.00 H new HETATM 0 H5' GF2 B 14 -0.397 10.132 -15.867 1.00 0.00 H new HETATM 0 H4' GF2 B 14 1.373 11.312 -14.894 1.00 0.00 H new HETATM 0 H3' GF2 B 14 0.607 8.816 -13.309 1.00 0.00 H new HETATM 0 H2' GF2 B 14 2.379 9.278 -11.847 1.00 0.00 H new HETATM 0 H1' GF2 B 14 2.423 12.224 -12.472 1.00 0.00 H new HETATM 439 P CFZ B 15 2.316 7.106 -14.256 1.00 0.00 P HETATM 440 N1 CFZ B 15 4.887 8.900 -9.209 1.00 0.00 N HETATM 441 C2 CFZ B 15 5.270 9.470 -7.993 1.00 0.00 C HETATM 442 O2 CFZ B 15 6.415 9.874 -7.815 1.00 0.00 O HETATM 443 N3 CFZ B 15 4.385 9.549 -6.970 1.00 0.00 N HETATM 444 C4 CFZ B 15 3.157 9.080 -7.136 1.00 0.00 C HETATM 445 N4 CFZ B 15 2.343 9.187 -6.114 1.00 0.00 N HETATM 446 C5 CFZ B 15 2.707 8.519 -8.373 1.00 0.00 C HETATM 447 C6 CFZ B 15 3.608 8.443 -9.386 1.00 0.00 C HETATM 448 C1' CFZ B 15 5.905 8.697 -10.275 1.00 0.00 C HETATM 449 O1P CFZ B 15 2.889 6.422 -15.429 1.00 0.00 O HETATM 450 C2' CFZ B 15 6.548 7.330 -10.203 1.00 0.00 C HETATM 451 F2' CFZ B 15 7.885 7.616 -10.062 1.00 0.00 F HETATM 452 O2P CFZ B 15 1.063 6.566 -13.679 1.00 0.00 O HETATM 453 C3' CFZ B 15 6.093 6.601 -11.479 1.00 0.00 C HETATM 454 O3' CFZ B 15 7.042 5.663 -12.008 1.00 0.00 O HETATM 455 C4' CFZ B 15 5.788 7.793 -12.381 1.00 0.00 C HETATM 456 O4' CFZ B 15 5.243 8.773 -11.521 1.00 0.00 O HETATM 457 C5' CFZ B 15 4.819 7.525 -13.543 1.00 0.00 C HETATM 458 O5' CFZ B 15 3.506 7.110 -13.152 1.00 0.00 O HETATM 0 HN4A CFZ B 15 1.386 8.842 -6.186 1.00 0.00 H new HETATM 0 H5'A CFZ B 15 4.734 8.432 -14.142 1.00 0.00 H new HETATM 0 HN4 CFZ B 15 2.667 9.615 -5.247 1.00 0.00 H new HETATM 0 H6 CFZ B 15 3.312 8.016 -10.344 1.00 0.00 H new HETATM 0 H5' CFZ B 15 5.250 6.758 -14.186 1.00 0.00 H new HETATM 0 H5 CFZ B 15 1.683 8.167 -8.497 1.00 0.00 H new HETATM 0 H4' CFZ B 15 6.710 8.089 -12.882 1.00 0.00 H new HETATM 0 H3' CFZ B 15 5.247 5.929 -11.333 1.00 0.00 H new HETATM 0 H2' CFZ B 15 6.283 6.658 -9.387 1.00 0.00 H new HETATM 0 H1' CFZ B 15 6.678 9.455 -10.150 1.00 0.00 H new HETATM 469 F GF2 B 16 10.337 5.444 -5.144 1.00 0.00 F HETATM 470 P GF2 B 16 7.226 4.176 -11.391 1.00 0.00 P HETATM 471 N1 GF2 B 16 6.185 7.402 -2.033 1.00 0.00 N HETATM 472 C2 GF2 B 16 7.517 7.418 -2.311 1.00 0.00 C HETATM 473 N2 GF2 B 16 8.335 7.726 -1.335 1.00 0.00 N HETATM 474 N3 GF2 B 16 8.043 7.129 -3.501 1.00 0.00 N HETATM 475 C4 GF2 B 16 7.097 6.844 -4.443 1.00 0.00 C HETATM 476 C5 GF2 B 16 5.728 6.805 -4.267 1.00 0.00 C HETATM 477 C6 GF2 B 16 5.206 7.070 -2.950 1.00 0.00 C HETATM 478 O6 GF2 B 16 4.049 7.043 -2.532 1.00 0.00 O HETATM 479 N7 GF2 B 16 5.101 6.495 -5.481 1.00 0.00 N HETATM 480 C8 GF2 B 16 6.092 6.346 -6.316 1.00 0.00 C HETATM 481 N9 GF2 B 16 7.332 6.506 -5.755 1.00 0.00 N HETATM 482 C1' GF2 B 16 8.655 6.285 -6.386 1.00 0.00 C HETATM 483 OP2 GF2 B 16 5.841 3.657 -11.304 1.00 0.00 O HETATM 484 C2' GF2 B 16 9.303 4.984 -5.926 1.00 0.00 C HETATM 485 OP1 GF2 B 16 8.200 3.422 -12.216 1.00 0.00 O HETATM 486 C3' GF2 B 16 9.583 4.228 -7.231 1.00 0.00 C HETATM 487 O3' GF2 B 16 10.754 3.408 -7.203 1.00 0.00 O HETATM 488 C4' GF2 B 16 9.534 5.330 -8.282 1.00 0.00 C HETATM 489 O4' GF2 B 16 8.490 6.157 -7.787 1.00 0.00 O HETATM 490 C5' GF2 B 16 9.208 4.850 -9.716 1.00 0.00 C HETATM 491 O5' GF2 B 16 7.865 4.368 -9.898 1.00 0.00 O HETATM 0 HN2A GF2 B 16 9.341 7.749 -1.501 1.00 0.00 H new HETATM 0 H5'A GF2 B 16 9.381 5.674 -10.408 1.00 0.00 H new HETATM 0 HN2 GF2 B 16 7.966 7.942 -0.409 1.00 0.00 H new HETATM 0 HN1 GF2 B 16 5.891 7.651 -1.089 1.00 0.00 H new HETATM 0 H8 GF2 B 16 5.946 6.114 -7.371 1.00 0.00 H new HETATM 0 H5' GF2 B 16 9.904 4.056 -9.986 1.00 0.00 H new HETATM 0 H4' GF2 B 16 10.505 5.810 -8.400 1.00 0.00 H new HETATM 0 H3' GF2 B 16 8.851 3.450 -7.450 1.00 0.00 H new HETATM 0 H2' GF2 B 16 8.770 4.256 -5.314 1.00 0.00 H new HETATM 0 H1' GF2 B 16 9.279 7.134 -6.106 1.00 0.00 H new HETATM 502 F AF2 B 17 10.499 3.018 0.296 1.00 0.00 F HETATM 503 P AF2 B 17 10.742 1.935 -6.537 1.00 0.00 P HETATM 504 N1 AF2 B 17 4.858 4.631 0.909 1.00 0.00 N HETATM 505 C2 AF2 B 17 6.104 4.648 1.366 1.00 0.00 C HETATM 506 N3 AF2 B 17 7.229 4.434 0.686 1.00 0.00 N HETATM 507 C4 AF2 B 17 6.984 4.178 -0.630 1.00 0.00 C HETATM 508 C5 AF2 B 17 5.758 4.125 -1.243 1.00 0.00 C HETATM 509 C6 AF2 B 17 4.659 4.380 -0.389 1.00 0.00 C HETATM 510 N6 AF2 B 17 3.393 4.416 -0.780 1.00 0.00 N HETATM 511 N7 AF2 B 17 5.891 3.835 -2.605 1.00 0.00 N HETATM 512 C8 AF2 B 17 7.179 3.717 -2.759 1.00 0.00 C HETATM 513 N9 AF2 B 17 7.912 3.905 -1.613 1.00 0.00 N HETATM 514 C1' AF2 B 17 9.387 3.835 -1.469 1.00 0.00 C HETATM 515 OP2 AF2 B 17 9.540 1.246 -7.057 1.00 0.00 O HETATM 516 C2' AF2 B 17 9.861 2.533 -0.829 1.00 0.00 C HETATM 517 OP1 AF2 B 17 12.067 1.292 -6.703 1.00 0.00 O HETATM 518 C3' AF2 B 17 10.707 1.846 -1.912 1.00 0.00 C HETATM 519 O3' AF2 B 17 11.771 1.019 -1.433 1.00 0.00 O HETATM 520 C4' AF2 B 17 11.126 3.056 -2.738 1.00 0.00 C HETATM 521 O4' AF2 B 17 9.944 3.839 -2.770 1.00 0.00 O HETATM 522 C5' AF2 B 17 11.590 2.733 -4.163 1.00 0.00 C HETATM 523 O5' AF2 B 17 10.553 2.164 -4.957 1.00 0.00 O HETATM 0 HN6A AF2 B 17 3.155 4.236 -1.755 1.00 0.00 H new HETATM 0 H5'A AF2 B 17 11.950 3.644 -4.640 1.00 0.00 H new HETATM 0 HN6 AF2 B 17 2.657 4.624 -0.106 1.00 0.00 H new HETATM 0 H8 AF2 B 17 7.638 3.487 -3.720 1.00 0.00 H new HETATM 0 H5' AF2 B 17 12.432 2.042 -4.120 1.00 0.00 H new HETATM 0 H4' AF2 B 17 11.995 3.544 -2.296 1.00 0.00 H new HETATM 0 H3' AF2 B 17 10.171 1.087 -2.482 1.00 0.00 H new HETATM 0 H2' AF2 B 17 9.151 1.767 -0.516 1.00 0.00 H new HETATM 0 H2 AF2 B 17 6.221 4.864 2.428 1.00 0.00 H new HETATM 0 H1' AF2 B 17 9.690 4.675 -0.844 1.00 0.00 H new HETATM 534 F AF2 B 18 8.108 0.972 5.089 1.00 0.00 F HETATM 535 P AF2 B 18 11.498 -0.444 -0.796 1.00 0.00 P HETATM 536 N1 AF2 B 18 2.809 2.093 3.392 1.00 0.00 N HETATM 537 C2 AF2 B 18 3.800 2.161 4.279 1.00 0.00 C HETATM 538 N3 AF2 B 18 5.100 1.981 4.066 1.00 0.00 N HETATM 539 C4 AF2 B 18 5.372 1.678 2.767 1.00 0.00 C HETATM 540 C5 AF2 B 18 4.468 1.558 1.747 1.00 0.00 C HETATM 541 C6 AF2 B 18 3.128 1.809 2.120 1.00 0.00 C HETATM 542 N6 AF2 B 18 2.114 1.758 1.274 1.00 0.00 N HETATM 543 N7 AF2 B 18 5.103 1.202 0.550 1.00 0.00 N HETATM 544 C8 AF2 B 18 6.360 1.130 0.893 1.00 0.00 C HETATM 545 N9 AF2 B 18 6.606 1.420 2.214 1.00 0.00 N HETATM 546 C1' AF2 B 18 7.910 1.478 2.915 1.00 0.00 C HETATM 547 OP2 AF2 B 18 10.643 -1.250 -1.683 1.00 0.00 O HETATM 548 C2' AF2 B 18 8.100 0.315 3.875 1.00 0.00 C HETATM 549 OP1 AF2 B 18 12.741 -1.091 -0.340 1.00 0.00 O HETATM 550 C3' AF2 B 18 9.379 -0.360 3.385 1.00 0.00 C HETATM 551 O3' AF2 B 18 10.111 -1.010 4.411 1.00 0.00 O HETATM 552 C4' AF2 B 18 10.072 0.786 2.671 1.00 0.00 C HETATM 553 O4' AF2 B 18 8.969 1.370 1.985 1.00 0.00 O HETATM 554 C5' AF2 B 18 11.175 0.347 1.697 1.00 0.00 C HETATM 555 O5' AF2 B 18 10.632 -0.269 0.538 1.00 0.00 O HETATM 0 HN6A AF2 B 18 2.281 1.547 0.290 1.00 0.00 H new HETATM 0 H5'A AF2 B 18 11.770 1.213 1.405 1.00 0.00 H new HETATM 0 HN6 AF2 B 18 1.165 1.929 1.605 1.00 0.00 H new HETATM 0 H8 AF2 B 18 7.149 0.862 0.190 1.00 0.00 H new HETATM 0 H5' AF2 B 18 11.849 -0.348 2.198 1.00 0.00 H new HETATM 0 H4' AF2 B 18 10.610 1.448 3.349 1.00 0.00 H new HETATM 0 H3' AF2 B 18 9.223 -1.212 2.723 1.00 0.00 H new HETATM 0 H2' AF2 B 18 7.373 -0.494 3.949 1.00 0.00 H new HETATM 0 H2 AF2 B 18 3.510 2.392 5.304 1.00 0.00 H new HETATM 0 H1' AF2 B 18 7.916 2.426 3.453 1.00 0.00 H new HETATM 566 P TAF B 19 9.653 -2.461 4.953 1.00 0.00 P HETATM 567 OP1 TAF B 19 10.656 -2.915 5.937 1.00 0.00 O HETATM 568 OP2 TAF B 19 9.363 -3.279 3.752 1.00 0.00 O HETATM 569 O5' TAF B 19 8.266 -2.169 5.740 1.00 0.00 O HETATM 570 N1 TAF B 19 3.868 -0.854 5.406 1.00 0.00 N HETATM 571 C6 TAF B 19 4.408 -1.336 4.233 1.00 0.00 C HETATM 572 C2 TAF B 19 2.498 -0.594 5.516 1.00 0.00 C HETATM 573 O2 TAF B 19 1.970 -0.197 6.548 1.00 0.00 O HETATM 574 N3 TAF B 19 1.729 -0.824 4.398 1.00 0.00 N HETATM 575 C4 TAF B 19 2.190 -1.305 3.190 1.00 0.00 C HETATM 576 O4 TAF B 19 1.384 -1.476 2.282 1.00 0.00 O HETATM 577 C5 TAF B 19 3.628 -1.567 3.143 1.00 0.00 C HETATM 578 C5M TAF B 19 4.265 -2.103 1.873 1.00 0.00 C HETATM 579 F2' TAF B 19 4.437 -3.161 6.588 1.00 0.00 F HETATM 580 C2' TAF B 19 4.665 -2.077 7.425 1.00 0.00 C HETATM 581 C5' TAF B 19 8.258 -1.432 6.962 1.00 0.00 C HETATM 582 C4' TAF B 19 6.852 -1.040 7.452 1.00 0.00 C HETATM 583 O4' TAF B 19 6.059 -0.495 6.397 1.00 0.00 O HETATM 584 C1' TAF B 19 4.689 -0.764 6.647 1.00 0.00 C HETATM 585 C3' TAF B 19 6.062 -2.208 8.055 1.00 0.00 C HETATM 586 O3' TAF B 19 6.062 -2.179 9.489 1.00 0.00 O HETATM 0 H5'' TAF B 19 8.748 -2.025 7.734 1.00 0.00 H new HETATM 0 H73 TAF B 19 5.020 -1.401 1.520 1.00 0.00 H new HETATM 0 H72 TAF B 19 4.733 -3.066 2.079 1.00 0.00 H new HETATM 0 H71 TAF B 19 3.500 -2.228 1.107 1.00 0.00 H new HETATM 0 H6 TAF B 19 5.478 -1.535 4.178 1.00 0.00 H new HETATM 0 H5' TAF B 19 8.851 -0.527 6.831 1.00 0.00 H new HETATM 0 H4' TAF B 19 7.036 -0.298 8.229 1.00 0.00 H new HETATM 0 H3' TAF B 19 6.503 -3.180 7.834 1.00 0.00 H new HETATM 0 H3 TAF B 19 0.732 -0.621 4.469 1.00 0.00 H new HETATM 0 H2' TAF B 19 3.865 -2.071 8.165 1.00 0.00 H new HETATM 0 H1' TAF B 19 4.241 0.057 7.207 1.00 0.00 H new HETATM 598 P UFT B 20 5.537 -3.430 10.376 1.00 0.00 P HETATM 599 OP1 UFT B 20 5.882 -3.265 11.805 1.00 0.00 O HETATM 600 OP2 UFT B 20 5.891 -4.710 9.746 1.00 0.00 O HETATM 601 O5' UFT B 20 3.941 -3.352 10.335 1.00 0.00 O HETATM 602 N1 UFT B 20 0.148 -3.367 7.703 1.00 0.00 N HETATM 603 C6 UFT B 20 1.212 -3.574 6.843 1.00 0.00 C HETATM 604 C2 UFT B 20 -1.154 -3.321 7.198 1.00 0.00 C HETATM 605 O2 UFT B 20 -2.139 -3.072 7.885 1.00 0.00 O HETATM 606 N3 UFT B 20 -1.310 -3.573 5.853 1.00 0.00 N HETATM 607 C4 UFT B 20 -0.307 -3.850 4.954 1.00 0.00 C HETATM 608 O4 UFT B 20 -0.578 -4.104 3.788 1.00 0.00 O HETATM 609 C5 UFT B 20 1.017 -3.817 5.522 1.00 0.00 C HETATM 610 F2' UFT B 20 -0.034 -5.499 10.099 1.00 0.00 F HETATM 611 C2' UFT B 20 0.783 -4.402 9.958 1.00 0.00 C HETATM 612 C5' UFT B 20 3.259 -2.281 10.959 1.00 0.00 C HETATM 613 C4' UFT B 20 1.746 -2.422 10.809 1.00 0.00 C HETATM 614 O4' UFT B 20 1.343 -2.232 9.455 1.00 0.00 O HETATM 615 C1' UFT B 20 0.322 -3.173 9.174 1.00 0.00 C HETATM 616 C3' UFT B 20 1.207 -3.785 11.293 1.00 0.00 C HETATM 617 O3' UFT B 20 0.130 -3.402 12.138 1.00 0.00 O HETATM 0 H5'A UFT B 20 3.520 -2.248 12.017 1.00 0.00 H new HETATM 0 HN3 UFT B 20 -2.262 -3.552 5.488 1.00 0.00 H new HETATM 0 H6 UFT B 20 2.229 -3.541 7.235 1.00 0.00 H new HETATM 0 H5' UFT B 20 3.583 -1.337 10.521 1.00 0.00 H new HETATM 0 H5 UFT B 20 1.879 -3.991 4.878 1.00 0.00 H new HETATM 0 H4' UFT B 20 1.322 -1.645 11.445 1.00 0.00 H new HETATM 0 H3' UFT B 20 1.843 -4.480 11.841 1.00 0.00 H new HETATM 0 H2' UFT B 20 1.555 -4.912 9.382 1.00 0.00 H new HETATM 0 H1' UFT B 20 -0.682 -2.874 9.477 1.00 0.00 H new HETATM 627 P CFL B 21 -0.471 -4.439 13.217 1.00 0.00 P HETATM 628 O1P CFL B 21 -1.112 -3.666 14.299 1.00 0.00 O HETATM 629 O2P CFL B 21 0.586 -5.423 13.540 1.00 0.00 O HETATM 630 O5' CFL B 21 -1.638 -5.179 12.392 1.00 0.00 O HETATM 631 C5' CFL B 21 -2.841 -4.487 12.102 1.00 0.00 C HETATM 632 C4' CFL B 21 -3.819 -5.243 11.195 1.00 0.00 C HETATM 633 O4' CFL B 21 -3.522 -5.128 9.811 1.00 0.00 O HETATM 634 C3' CFL B 21 -4.009 -6.736 11.513 1.00 0.00 C HETATM 635 O3' CFL B 21 -5.271 -6.962 12.158 1.00 0.00 O HETATM 636 C2' CFL B 21 -3.854 -7.426 10.155 1.00 0.00 C HETATM 637 C1' CFL B 21 -4.026 -6.285 9.156 1.00 0.00 C HETATM 638 N1 CFL B 21 -3.380 -6.491 7.825 1.00 0.00 N HETATM 639 C2 CFL B 21 -4.199 -6.653 6.704 1.00 0.00 C HETATM 640 O2 CFL B 21 -5.426 -6.655 6.796 1.00 0.00 O HETATM 641 N3 CFL B 21 -3.656 -6.823 5.478 1.00 0.00 N HETATM 642 C4 CFL B 21 -2.339 -6.815 5.348 1.00 0.00 C HETATM 643 N4 CFL B 21 -1.908 -6.947 4.119 1.00 0.00 N HETATM 644 C5 CFL B 21 -1.446 -6.635 6.456 1.00 0.00 C HETATM 645 C6 CFL B 21 -2.017 -6.501 7.679 1.00 0.00 C HETATM 646 F CFL B 21 -2.592 -7.948 10.027 1.00 0.00 F HETATM 0 HN42 CFL B 21 -0.906 -6.951 3.928 1.00 0.00 H new HETATM 0 HN41 CFL B 21 -2.574 -7.045 3.353 1.00 0.00 H new HETATM 0 H5'2 CFL B 21 -3.344 -4.255 13.040 1.00 0.00 H new HETATM 0 H5'1 CFL B 21 -2.591 -3.537 11.630 1.00 0.00 H new HETATM 0 H6 CFL B 21 -1.382 -6.400 8.559 1.00 0.00 H new HETATM 0 H5 CFL B 21 -0.365 -6.607 6.322 1.00 0.00 H new HETATM 0 H4' CFL B 21 -4.754 -4.731 11.423 1.00 0.00 H new HETATM 0 H3' CFL B 21 -3.286 -7.136 12.224 1.00 0.00 H new HETATM 0 H2' CFL B 21 -4.561 -8.244 10.016 1.00 0.00 H new HETATM 0 H1' CFL B 21 -5.081 -6.201 8.893 1.00 0.00 H new HETATM 657 F GF2 B 22 -7.997 -11.729 7.051 1.00 0.00 F HETATM 658 P GF2 B 22 -5.725 -8.389 12.764 1.00 0.00 P HETATM 659 N1 GF2 B 22 -5.573 -10.674 2.533 1.00 0.00 N HETATM 660 C2 GF2 B 22 -6.759 -10.613 3.195 1.00 0.00 C HETATM 661 N2 GF2 B 22 -7.861 -10.860 2.532 1.00 0.00 N HETATM 662 N3 GF2 B 22 -6.883 -10.380 4.493 1.00 0.00 N HETATM 663 C4 GF2 B 22 -5.682 -10.276 5.130 1.00 0.00 C HETATM 664 C5 GF2 B 22 -4.425 -10.358 4.570 1.00 0.00 C HETATM 665 C6 GF2 B 22 -4.335 -10.536 3.139 1.00 0.00 C HETATM 666 O6 GF2 B 22 -3.352 -10.626 2.404 1.00 0.00 O HETATM 667 N7 GF2 B 22 -3.462 -10.311 5.590 1.00 0.00 N HETATM 668 C8 GF2 B 22 -4.160 -10.188 6.689 1.00 0.00 C HETATM 669 N9 GF2 B 22 -5.514 -10.124 6.483 1.00 0.00 N HETATM 670 C1' GF2 B 22 -6.636 -10.018 7.443 1.00 0.00 C HETATM 671 OP2 GF2 B 22 -4.503 -8.990 13.336 1.00 0.00 O HETATM 672 C2' GF2 B 22 -7.087 -11.354 8.010 1.00 0.00 C HETATM 673 OP1 GF2 B 22 -6.820 -8.109 13.705 1.00 0.00 O HETATM 674 C3' GF2 B 22 -7.620 -10.950 9.385 1.00 0.00 C HETATM 675 O3' GF2 B 22 -8.880 -11.518 9.731 1.00 0.00 O HETATM 676 C4' GF2 B 22 -7.536 -9.429 9.389 1.00 0.00 C HETATM 677 O4' GF2 B 22 -6.403 -9.181 8.559 1.00 0.00 O HETATM 678 C5' GF2 B 22 -7.406 -8.816 10.793 1.00 0.00 C HETATM 679 O5' GF2 B 22 -6.269 -9.264 11.523 1.00 0.00 O HETATM 0 HN2A GF2 B 22 -8.762 -10.820 3.008 1.00 0.00 H new HETATM 0 H5'A GF2 B 22 -7.360 -7.731 10.700 1.00 0.00 H new HETATM 0 HN2 GF2 B 22 -7.818 -11.092 1.540 1.00 0.00 H new HETATM 0 HN1 GF2 B 22 -5.596 -10.831 1.526 1.00 0.00 H new HETATM 0 H8 GF2 B 22 -3.706 -10.141 7.679 1.00 0.00 H new HETATM 0 H5' GF2 B 22 -8.305 -9.049 11.364 1.00 0.00 H new HETATM 0 H4' GF2 B 22 -8.449 -8.957 9.025 1.00 0.00 H new HETATM 0 H3' GF2 B 22 -7.023 -11.367 10.197 1.00 0.00 H new HETATM 0 H2' GF2 B 22 -6.404 -12.187 8.174 1.00 0.00 H new HETATM 0 H1' GF2 B 22 -7.406 -9.576 6.811 1.00 0.00 H new HETATM 690 P CFL B 23 -9.059 -13.094 10.024 1.00 0.00 P HETATM 691 O1P CFL B 23 -10.328 -13.252 10.757 1.00 0.00 O HETATM 692 O2P CFL B 23 -7.794 -13.501 10.688 1.00 0.00 O HETATM 693 O5' CFL B 23 -9.202 -13.815 8.573 1.00 0.00 O HETATM 694 C5' CFL B 23 -10.395 -13.652 7.803 1.00 0.00 C HETATM 695 C4' CFL B 23 -10.471 -14.252 6.375 1.00 0.00 C HETATM 696 O4' CFL B 23 -9.535 -13.679 5.470 1.00 0.00 O HETATM 697 C3' CFL B 23 -10.327 -15.769 6.169 1.00 0.00 C HETATM 698 O3' CFL B 23 -11.199 -16.157 5.071 1.00 0.00 O HETATM 699 C2' CFL B 23 -8.862 -15.938 5.829 1.00 0.00 C HETATM 700 C1' CFL B 23 -8.795 -14.745 4.879 1.00 0.00 C HETATM 701 N1 CFL B 23 -7.423 -14.324 4.539 1.00 0.00 N HETATM 702 C2 CFL B 23 -7.002 -14.419 3.211 1.00 0.00 C HETATM 703 O2 CFL B 23 -7.772 -14.776 2.319 1.00 0.00 O HETATM 704 N3 CFL B 23 -5.717 -14.148 2.891 1.00 0.00 N HETATM 705 C4 CFL B 23 -4.884 -13.765 3.846 1.00 0.00 C HETATM 706 N4 CFL B 23 -3.655 -13.535 3.461 1.00 0.00 N HETATM 707 C5 CFL B 23 -5.288 -13.591 5.208 1.00 0.00 C HETATM 708 C6 CFL B 23 -6.572 -13.903 5.517 1.00 0.00 C HETATM 709 F CFL B 23 -8.020 -15.860 6.919 1.00 0.00 F HETATM 0 HN42 CFL B 23 -2.955 -13.236 4.140 1.00 0.00 H new HETATM 0 HN41 CFL B 23 -3.397 -13.654 2.482 1.00 0.00 H new HETATM 0 H5'2 CFL B 23 -11.216 -14.077 8.380 1.00 0.00 H new HETATM 0 H5'1 CFL B 23 -10.585 -12.582 7.718 1.00 0.00 H new HETATM 0 H6 CFL B 23 -6.922 -13.817 6.546 1.00 0.00 H new HETATM 0 H5 CFL B 23 -4.594 -13.224 5.964 1.00 0.00 H new HETATM 0 H4' CFL B 23 -11.512 -13.996 6.179 1.00 0.00 H new HETATM 0 H3' CFL B 23 -10.605 -16.384 7.025 1.00 0.00 H new HETATM 0 H2' CFL B 23 -8.544 -16.901 5.431 1.00 0.00 H new HETATM 0 H1' CFL B 23 -9.230 -15.043 3.925 1.00 0.00 H new HETATM 720 F GF2 B 24 -6.246 -20.262 4.717 1.00 0.00 F HETATM 721 P GF2 B 24 -11.302 -17.652 4.437 1.00 0.00 P HETATM 722 N1 GF2 B 24 -2.250 -17.095 0.642 1.00 0.00 N HETATM 723 C2 GF2 B 24 -3.373 -17.658 0.148 1.00 0.00 C HETATM 724 N2 GF2 B 24 -3.359 -17.872 -1.142 1.00 0.00 N HETATM 725 N3 GF2 B 24 -4.465 -17.921 0.846 1.00 0.00 N HETATM 726 C4 GF2 B 24 -4.359 -17.521 2.150 1.00 0.00 C HETATM 727 C5 GF2 B 24 -3.278 -16.923 2.759 1.00 0.00 C HETATM 728 C6 GF2 B 24 -2.106 -16.671 1.951 1.00 0.00 C HETATM 729 O6 GF2 B 24 -1.015 -16.179 2.232 1.00 0.00 O HETATM 730 N7 GF2 B 24 -3.562 -16.731 4.118 1.00 0.00 N HETATM 731 C8 GF2 B 24 -4.765 -17.223 4.273 1.00 0.00 C HETATM 732 N9 GF2 B 24 -5.308 -17.738 3.115 1.00 0.00 N HETATM 733 C1' GF2 B 24 -6.424 -18.680 2.860 1.00 0.00 C HETATM 734 OP2 GF2 B 24 -11.333 -18.639 5.526 1.00 0.00 O HETATM 735 C2' GF2 B 24 -7.090 -19.434 4.004 1.00 0.00 C HETATM 736 OP1 GF2 B 24 -12.406 -17.535 3.457 1.00 0.00 O HETATM 737 C3' GF2 B 24 -8.044 -20.230 3.113 1.00 0.00 C HETATM 738 O3' GF2 B 24 -7.270 -21.181 2.396 1.00 0.00 O HETATM 739 C4' GF2 B 24 -8.512 -19.163 2.098 1.00 0.00 C HETATM 740 O4' GF2 B 24 -7.513 -18.144 2.127 1.00 0.00 O HETATM 741 C5' GF2 B 24 -9.901 -18.561 2.377 1.00 0.00 C HETATM 742 O5' GF2 B 24 -9.947 -17.797 3.578 1.00 0.00 O HETATM 0 HO3' GF2 B 24 -6.419 -21.326 2.859 1.00 0.00 H new HETATM 0 HN2A GF2 B 24 -4.168 -18.295 -1.598 1.00 0.00 H new HETATM 0 H5'A GF2 B 24 -10.191 -17.927 1.539 1.00 0.00 H new HETATM 0 HN2 GF2 B 24 -2.539 -17.616 -1.692 1.00 0.00 H new HETATM 0 HN1 GF2 B 24 -1.458 -16.975 0.011 1.00 0.00 H new HETATM 0 H8 GF2 B 24 -5.289 -17.225 5.229 1.00 0.00 H new HETATM 0 H5' GF2 B 24 -10.634 -19.366 2.437 1.00 0.00 H new HETATM 0 H4' GF2 B 24 -8.626 -19.634 1.122 1.00 0.00 H new HETATM 0 H3' GF2 B 24 -8.848 -20.733 3.650 1.00 0.00 H new HETATM 0 H2' GF2 B 24 -7.506 -18.822 4.804 1.00 0.00 H new HETATM 0 H1' GF2 B 24 -5.807 -19.387 2.306 1.00 0.00 H new TER 754 GF2 B 24