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 25:sc= -0.224 USER MOD Single : B 24 GF2 O3' : rot 32:sc= -0.0575 USER MOD ----------------------------------------------------------------- HETATM 1 N1 CFZ A 1 0.557 -15.508 -4.025 1.00 0.00 N HETATM 2 C2 CFZ A 1 -0.425 -15.770 -3.046 1.00 0.00 C HETATM 3 O2 CFZ A 1 -1.487 -16.321 -3.356 1.00 0.00 O HETATM 4 N3 CFZ A 1 -0.197 -15.345 -1.748 1.00 0.00 N HETATM 5 C4 CFZ A 1 0.862 -14.567 -1.474 1.00 0.00 C HETATM 6 N4 CFZ A 1 1.025 -14.092 -0.252 1.00 0.00 N HETATM 7 C5 CFZ A 1 1.812 -14.220 -2.482 1.00 0.00 C HETATM 8 C6 CFZ A 1 1.629 -14.707 -3.731 1.00 0.00 C HETATM 9 C1' CFZ A 1 0.481 -16.171 -5.362 1.00 0.00 C HETATM 10 C2' CFZ A 1 -0.546 -15.547 -6.309 1.00 0.00 C HETATM 11 F2' CFZ A 1 -1.568 -16.471 -6.223 1.00 0.00 F HETATM 12 C3' CFZ A 1 0.250 -15.354 -7.604 1.00 0.00 C HETATM 13 O3' CFZ A 1 -0.486 -15.423 -8.815 1.00 0.00 O HETATM 14 C4' CFZ A 1 1.373 -16.362 -7.442 1.00 0.00 C HETATM 15 O4' CFZ A 1 1.710 -16.167 -6.072 1.00 0.00 O HETATM 16 C5' CFZ A 1 2.575 -16.132 -8.372 1.00 0.00 C HETATM 17 O5' CFZ A 1 3.158 -14.846 -8.222 1.00 0.00 O HETATM 0 HN4A CFZ A 1 1.828 -13.500 -0.038 1.00 0.00 H new HETATM 0 H5'A CFZ A 1 3.331 -16.892 -8.174 1.00 0.00 H new HETATM 0 HN4 CFZ A 1 0.348 -14.317 0.477 1.00 0.00 H new HETATM 0 H6 CFZ A 1 2.345 -14.459 -4.515 1.00 0.00 H new HETATM 0 H5' CFZ A 1 2.256 -16.261 -9.406 1.00 0.00 H new HETATM 0 H5 CFZ A 1 2.663 -13.579 -2.251 1.00 0.00 H new HETATM 0 H4' CFZ A 1 1.076 -17.376 -7.709 1.00 0.00 H new HETATM 0 H3' CFZ A 1 0.613 -14.333 -7.724 1.00 0.00 H new HETATM 0 H2' CFZ A 1 -1.007 -14.574 -6.141 1.00 0.00 H new HETATM 0 H1' CFZ A 1 0.189 -17.187 -5.095 1.00 0.00 H new HETATM 29 F GF2 A 2 -7.115 -13.753 -5.804 1.00 0.00 F HETATM 30 P GF2 A 2 -1.326 -14.150 -9.316 1.00 0.00 P HETATM 31 N1 GF2 A 2 -5.270 -13.944 -0.122 1.00 0.00 N HETATM 32 C2 GF2 A 2 -6.244 -14.304 -1.001 1.00 0.00 C HETATM 33 N2 GF2 A 2 -7.421 -14.600 -0.510 1.00 0.00 N HETATM 34 N3 GF2 A 2 -6.075 -14.376 -2.321 1.00 0.00 N HETATM 35 C4 GF2 A 2 -4.816 -14.026 -2.708 1.00 0.00 C HETATM 36 C5 GF2 A 2 -3.771 -13.624 -1.904 1.00 0.00 C HETATM 37 C6 GF2 A 2 -3.995 -13.558 -0.484 1.00 0.00 C HETATM 38 O6 GF2 A 2 -3.239 -13.217 0.421 1.00 0.00 O HETATM 39 N7 GF2 A 2 -2.653 -13.327 -2.691 1.00 0.00 N HETATM 40 C8 GF2 A 2 -3.057 -13.549 -3.910 1.00 0.00 C HETATM 41 N9 GF2 A 2 -4.343 -14.020 -3.995 1.00 0.00 N HETATM 42 C1' GF2 A 2 -5.082 -14.490 -5.185 1.00 0.00 C HETATM 43 OP2 GF2 A 2 -0.555 -12.921 -9.064 1.00 0.00 O HETATM 44 C2' GF2 A 2 -5.798 -13.366 -5.922 1.00 0.00 C HETATM 45 OP1 GF2 A 2 -1.879 -14.389 -10.668 1.00 0.00 O HETATM 46 C3' GF2 A 2 -5.174 -13.351 -7.313 1.00 0.00 C HETATM 47 O3' GF2 A 2 -6.033 -12.896 -8.359 1.00 0.00 O HETATM 48 C4' GF2 A 2 -4.698 -14.803 -7.386 1.00 0.00 C HETATM 49 O4' GF2 A 2 -4.151 -15.032 -6.096 1.00 0.00 O HETATM 50 C5' GF2 A 2 -3.643 -15.054 -8.457 1.00 0.00 C HETATM 51 O5' GF2 A 2 -2.589 -14.114 -8.341 1.00 0.00 O HETATM 0 HN2A GF2 A 2 -8.179 -14.875 -1.134 1.00 0.00 H new HETATM 0 H5'A GF2 A 2 -3.249 -16.066 -8.359 1.00 0.00 H new HETATM 0 HN2 GF2 A 2 -7.580 -14.556 0.497 1.00 0.00 H new HETATM 0 HN1 GF2 A 2 -5.497 -13.960 0.872 1.00 0.00 H new HETATM 0 H8 GF2 A 2 -2.429 -13.376 -4.784 1.00 0.00 H new HETATM 0 H5' GF2 A 2 -4.095 -14.983 -9.446 1.00 0.00 H new HETATM 0 H4' GF2 A 2 -5.517 -15.469 -7.657 1.00 0.00 H new HETATM 0 H3' GF2 A 2 -4.378 -12.622 -7.463 1.00 0.00 H new HETATM 0 H2' GF2 A 2 -5.720 -12.337 -5.572 1.00 0.00 H new HETATM 0 H1' GF2 A 2 -5.822 -15.211 -4.837 1.00 0.00 H new HETATM 62 P CFZ A 3 -6.463 -11.335 -8.543 1.00 0.00 P HETATM 63 N1 CFZ A 3 -7.295 -10.808 -2.879 1.00 0.00 N HETATM 64 C2 CFZ A 3 -7.204 -10.842 -1.487 1.00 0.00 C HETATM 65 O2 CFZ A 3 -8.201 -11.025 -0.797 1.00 0.00 O HETATM 66 N3 CFZ A 3 -6.010 -10.648 -0.874 1.00 0.00 N HETATM 67 C4 CFZ A 3 -4.933 -10.418 -1.609 1.00 0.00 C HETATM 68 N4 CFZ A 3 -3.805 -10.253 -0.961 1.00 0.00 N HETATM 69 C5 CFZ A 3 -4.970 -10.392 -3.039 1.00 0.00 C HETATM 70 C6 CFZ A 3 -6.178 -10.573 -3.634 1.00 0.00 C HETATM 71 C1' CFZ A 3 -8.634 -10.934 -3.523 1.00 0.00 C HETATM 72 O1P CFZ A 3 -7.314 -11.224 -9.739 1.00 0.00 O HETATM 73 C2' CFZ A 3 -9.232 -9.586 -3.835 1.00 0.00 C HETATM 74 F2' CFZ A 3 -10.481 -9.599 -3.259 1.00 0.00 F HETATM 75 O2P CFZ A 3 -5.269 -10.476 -8.448 1.00 0.00 O HETATM 76 C3' CFZ A 3 -9.152 -9.498 -5.359 1.00 0.00 C HETATM 77 O3' CFZ A 3 -10.115 -8.637 -5.949 1.00 0.00 O HETATM 78 C4' CFZ A 3 -9.248 -10.963 -5.748 1.00 0.00 C HETATM 79 O4' CFZ A 3 -8.477 -11.619 -4.754 1.00 0.00 O HETATM 80 C5' CFZ A 3 -8.712 -11.278 -7.151 1.00 0.00 C HETATM 81 O5' CFZ A 3 -7.352 -10.890 -7.276 1.00 0.00 O HETATM 0 HN4A CFZ A 3 -2.943 -10.073 -1.476 1.00 0.00 H new HETATM 0 H5'A CFZ A 3 -8.809 -12.345 -7.350 1.00 0.00 H new HETATM 0 HN4 CFZ A 3 -3.790 -10.305 0.058 1.00 0.00 H new HETATM 0 H6 CFZ A 3 -6.258 -10.531 -4.720 1.00 0.00 H new HETATM 0 H5' CFZ A 3 -9.312 -10.759 -7.898 1.00 0.00 H new HETATM 0 H5 CFZ A 3 -4.066 -10.233 -3.627 1.00 0.00 H new HETATM 0 H4' CFZ A 3 -10.288 -11.286 -5.794 1.00 0.00 H new HETATM 0 H3' CFZ A 3 -8.245 -9.022 -5.731 1.00 0.00 H new HETATM 0 H2' CFZ A 3 -8.747 -8.692 -3.443 1.00 0.00 H new HETATM 0 H1' CFZ A 3 -9.290 -11.465 -2.833 1.00 0.00 H new HETATM 92 F GF2 A 4 -11.167 -5.395 0.744 1.00 0.00 F HETATM 93 P GF2 A 4 -9.867 -7.048 -5.999 1.00 0.00 P HETATM 94 N1 GF2 A 4 -6.116 -6.718 2.828 1.00 0.00 N HETATM 95 C2 GF2 A 4 -7.461 -6.710 3.043 1.00 0.00 C HETATM 96 N2 GF2 A 4 -7.888 -6.519 4.266 1.00 0.00 N HETATM 97 N3 GF2 A 4 -8.380 -6.814 2.089 1.00 0.00 N HETATM 98 C4 GF2 A 4 -7.833 -6.952 0.849 1.00 0.00 C HETATM 99 C5 GF2 A 4 -6.494 -6.973 0.517 1.00 0.00 C HETATM 100 C6 GF2 A 4 -5.531 -6.820 1.577 1.00 0.00 C HETATM 101 O6 GF2 A 4 -4.303 -6.749 1.530 1.00 0.00 O HETATM 102 N7 GF2 A 4 -6.350 -7.112 -0.870 1.00 0.00 N HETATM 103 C8 GF2 A 4 -7.580 -7.139 -1.309 1.00 0.00 C HETATM 104 N9 GF2 A 4 -8.531 -7.025 -0.330 1.00 0.00 N HETATM 105 C1' GF2 A 4 -9.993 -6.853 -0.490 1.00 0.00 C HETATM 106 OP2 GF2 A 4 -8.437 -6.929 -6.413 1.00 0.00 O HETATM 107 C2' GF2 A 4 -10.384 -5.385 -0.392 1.00 0.00 C HETATM 108 OP1 GF2 A 4 -10.926 -6.450 -6.832 1.00 0.00 O HETATM 109 C3' GF2 A 4 -11.009 -5.053 -1.751 1.00 0.00 C HETATM 110 O3' GF2 A 4 -12.073 -4.109 -1.632 1.00 0.00 O HETATM 111 C4' GF2 A 4 -11.363 -6.436 -2.299 1.00 0.00 C HETATM 112 O4' GF2 A 4 -10.333 -7.269 -1.793 1.00 0.00 O HETATM 113 C5' GF2 A 4 -11.384 -6.590 -3.837 1.00 0.00 C HETATM 114 O5' GF2 A 4 -10.083 -6.572 -4.451 1.00 0.00 O HETATM 0 HN2A GF2 A 4 -8.889 -6.507 4.461 1.00 0.00 H new HETATM 0 H5'A GF2 A 4 -11.879 -7.527 -4.090 1.00 0.00 H new HETATM 0 HN2 GF2 A 4 -7.219 -6.382 5.024 1.00 0.00 H new HETATM 0 HN1 GF2 A 4 -5.502 -6.644 3.639 1.00 0.00 H new HETATM 0 H8 GF2 A 4 -7.828 -7.243 -2.365 1.00 0.00 H new HETATM 0 H5' GF2 A 4 -11.985 -5.787 -4.263 1.00 0.00 H new HETATM 0 H4' GF2 A 4 -12.384 -6.671 -1.997 1.00 0.00 H new HETATM 0 H3' GF2 A 4 -10.359 -4.528 -2.450 1.00 0.00 H new HETATM 0 H2' GF2 A 4 -9.638 -4.601 -0.259 1.00 0.00 H new HETATM 0 H1' GF2 A 4 -10.499 -7.425 0.288 1.00 0.00 H new HETATM 125 F AF2 A 5 -9.403 -1.334 4.998 1.00 0.00 F HETATM 126 P AF2 A 5 -11.802 -2.537 -1.349 1.00 0.00 P HETATM 127 N1 AF2 A 5 -3.975 -3.253 4.255 1.00 0.00 N HETATM 128 C2 AF2 A 5 -4.986 -2.961 5.067 1.00 0.00 C HETATM 129 N3 AF2 A 5 -6.280 -2.888 4.764 1.00 0.00 N HETATM 130 C4 AF2 A 5 -6.514 -3.165 3.450 1.00 0.00 C HETATM 131 C5 AF2 A 5 -5.578 -3.474 2.498 1.00 0.00 C HETATM 132 C6 AF2 A 5 -4.250 -3.524 2.974 1.00 0.00 C HETATM 133 N6 AF2 A 5 -3.209 -3.827 2.215 1.00 0.00 N HETATM 134 N7 AF2 A 5 -6.172 -3.645 1.243 1.00 0.00 N HETATM 135 C8 AF2 A 5 -7.436 -3.436 1.485 1.00 0.00 C HETATM 136 N9 AF2 A 5 -7.726 -3.159 2.798 1.00 0.00 N HETATM 137 C1' AF2 A 5 -9.051 -2.863 3.393 1.00 0.00 C HETATM 138 OP2 AF2 A 5 -10.706 -2.050 -2.213 1.00 0.00 O HETATM 139 C2' AF2 A 5 -9.229 -1.373 3.628 1.00 0.00 C HETATM 140 OP1 AF2 A 5 -13.060 -1.772 -1.371 1.00 0.00 O HETATM 141 C3' AF2 A 5 -10.392 -0.985 2.720 1.00 0.00 C HETATM 142 O3' AF2 A 5 -11.117 0.144 3.191 1.00 0.00 O HETATM 143 C4' AF2 A 5 -11.132 -2.310 2.565 1.00 0.00 C HETATM 144 O4' AF2 A 5 -10.058 -3.241 2.470 1.00 0.00 O HETATM 145 C5' AF2 A 5 -12.003 -2.407 1.301 1.00 0.00 C HETATM 146 O5' AF2 A 5 -11.201 -2.326 0.128 1.00 0.00 O HETATM 0 HN6A AF2 A 5 -3.344 -4.045 1.228 1.00 0.00 H new HETATM 0 H5'A AF2 A 5 -12.555 -3.347 1.305 1.00 0.00 H new HETATM 0 HN6 AF2 A 5 -2.272 -3.843 2.617 1.00 0.00 H new HETATM 0 H8 AF2 A 5 -8.200 -3.478 0.709 1.00 0.00 H new HETATM 0 H5' AF2 A 5 -12.740 -1.604 1.299 1.00 0.00 H new HETATM 0 H4' AF2 A 5 -11.833 -2.468 3.385 1.00 0.00 H new HETATM 0 H3' AF2 A 5 -10.116 -0.594 1.741 1.00 0.00 H new HETATM 0 H2' AF2 A 5 -8.442 -0.660 3.381 1.00 0.00 H new HETATM 0 H2 AF2 A 5 -4.724 -2.757 6.105 1.00 0.00 H new HETATM 0 H1' AF2 A 5 -9.121 -3.404 4.337 1.00 0.00 H new HETATM 157 F AF2 A 6 -5.296 1.836 7.631 1.00 0.00 F HETATM 158 P AF2 A 6 -10.513 1.628 3.000 1.00 0.00 P HETATM 159 N1 AF2 A 6 -1.035 -0.484 4.572 1.00 0.00 N HETATM 160 C2 AF2 A 6 -1.588 -0.177 5.743 1.00 0.00 C HETATM 161 N3 AF2 A 6 -2.868 0.090 5.994 1.00 0.00 N HETATM 162 C4 AF2 A 6 -3.642 0.027 4.876 1.00 0.00 C HETATM 163 C5 AF2 A 6 -3.218 -0.271 3.609 1.00 0.00 C HETATM 164 C6 AF2 A 6 -1.838 -0.560 3.503 1.00 0.00 C HETATM 165 N6 AF2 A 6 -1.258 -0.922 2.371 1.00 0.00 N HETATM 166 N7 AF2 A 6 -4.278 -0.214 2.695 1.00 0.00 N HETATM 167 C8 AF2 A 6 -5.298 0.094 3.448 1.00 0.00 C HETATM 168 N9 AF2 A 6 -5.003 0.239 4.782 1.00 0.00 N HETATM 169 C1' AF2 A 6 -5.937 0.579 5.887 1.00 0.00 C HETATM 170 OP2 AF2 A 6 -9.997 1.742 1.620 1.00 0.00 O HETATM 171 C2' AF2 A 6 -5.746 2.013 6.340 1.00 0.00 C HETATM 172 OP1 AF2 A 6 -11.471 2.649 3.482 1.00 0.00 O HETATM 173 C3' AF2 A 6 -7.097 2.694 6.081 1.00 0.00 C HETATM 174 O3' AF2 A 6 -7.392 3.821 6.914 1.00 0.00 O HETATM 175 C4' AF2 A 6 -8.035 1.492 6.117 1.00 0.00 C HETATM 176 O4' AF2 A 6 -7.269 0.518 5.414 1.00 0.00 O HETATM 177 C5' AF2 A 6 -9.384 1.708 5.411 1.00 0.00 C HETATM 178 O5' AF2 A 6 -9.247 1.787 3.991 1.00 0.00 O HETATM 0 HN6A AF2 A 6 -1.810 -1.000 1.517 1.00 0.00 H new HETATM 0 H5'A AF2 A 6 -10.059 0.890 5.664 1.00 0.00 H new HETATM 0 HN6 AF2 A 6 -0.258 -1.123 2.352 1.00 0.00 H new HETATM 0 H8 AF2 A 6 -6.304 0.226 3.050 1.00 0.00 H new HETATM 0 H5' AF2 A 6 -9.842 2.625 5.781 1.00 0.00 H new HETATM 0 H4' AF2 A 6 -8.323 1.236 7.137 1.00 0.00 H new HETATM 0 H3' AF2 A 6 -7.169 3.236 5.138 1.00 0.00 H new HETATM 0 H2' AF2 A 6 -5.033 2.675 5.848 1.00 0.00 H new HETATM 0 H2 AF2 A 6 -0.913 -0.140 6.598 1.00 0.00 H new HETATM 0 H1' AF2 A 6 -5.742 -0.123 6.698 1.00 0.00 H new HETATM 189 P TAF A 7 -6.669 5.239 6.630 1.00 0.00 P HETATM 190 OP1 TAF A 7 -7.131 6.299 7.555 1.00 0.00 O HETATM 191 OP2 TAF A 7 -6.716 5.500 5.180 1.00 0.00 O HETATM 192 O5' TAF A 7 -5.136 5.015 7.045 1.00 0.00 O HETATM 193 N1 TAF A 7 -1.166 3.315 5.914 1.00 0.00 N HETATM 194 C6 TAF A 7 -2.132 3.264 4.934 1.00 0.00 C HETATM 195 C2 TAF A 7 0.169 3.006 5.626 1.00 0.00 C HETATM 196 O2 TAF A 7 1.074 3.104 6.446 1.00 0.00 O HETATM 197 N3 TAF A 7 0.456 2.630 4.329 1.00 0.00 N HETATM 198 C4 TAF A 7 -0.448 2.604 3.284 1.00 0.00 C HETATM 199 O4 TAF A 7 -0.052 2.328 2.154 1.00 0.00 O HETATM 200 C5 TAF A 7 -1.820 2.949 3.651 1.00 0.00 C HETATM 201 C5M TAF A 7 -2.910 2.980 2.596 1.00 0.00 C HETATM 202 F2' TAF A 7 -2.032 5.897 5.958 1.00 0.00 F HETATM 203 C2' TAF A 7 -1.530 5.449 7.171 1.00 0.00 C HETATM 204 C5' TAF A 7 -4.779 4.733 8.400 1.00 0.00 C HETATM 205 C4' TAF A 7 -3.268 4.526 8.577 1.00 0.00 C HETATM 206 O4' TAF A 7 -2.756 3.513 7.718 1.00 0.00 O HETATM 207 C1' TAF A 7 -1.480 3.919 7.242 1.00 0.00 C HETATM 208 C3' TAF A 7 -2.517 5.822 8.267 1.00 0.00 C HETATM 209 O3' TAF A 7 -1.953 6.450 9.424 1.00 0.00 O HETATM 0 H5'' TAF A 7 -5.108 5.554 9.038 1.00 0.00 H new HETATM 0 H73 TAF A 7 -3.697 2.275 2.865 1.00 0.00 H new HETATM 0 H72 TAF A 7 -3.328 3.985 2.535 1.00 0.00 H new HETATM 0 H71 TAF A 7 -2.489 2.703 1.630 1.00 0.00 H new HETATM 0 H6 TAF A 7 -3.168 3.481 5.194 1.00 0.00 H new HETATM 0 H5' TAF A 7 -5.307 3.839 8.733 1.00 0.00 H new HETATM 0 H4' TAF A 7 -3.118 4.222 9.613 1.00 0.00 H new HETATM 0 H3' TAF A 7 -3.183 6.611 7.917 1.00 0.00 H new HETATM 0 H3 TAF A 7 1.415 2.348 4.125 1.00 0.00 H new HETATM 0 H2' TAF A 7 -0.537 5.886 7.280 1.00 0.00 H new HETATM 0 H1' TAF A 7 -0.685 3.579 7.906 1.00 0.00 H new HETATM 221 P UFT A 8 -1.526 8.014 9.392 1.00 0.00 P HETATM 222 OP1 UFT A 8 -1.390 8.537 10.764 1.00 0.00 O HETATM 223 OP2 UFT A 8 -2.430 8.691 8.431 1.00 0.00 O HETATM 224 O5' UFT A 8 -0.040 7.965 8.768 1.00 0.00 O HETATM 225 N1 UFT A 8 2.560 5.939 5.235 1.00 0.00 N HETATM 226 C6 UFT A 8 1.283 6.156 4.760 1.00 0.00 C HETATM 227 C2 UFT A 8 3.554 5.425 4.400 1.00 0.00 C HETATM 228 O2 UFT A 8 4.703 5.207 4.769 1.00 0.00 O HETATM 229 N3 UFT A 8 3.198 5.177 3.093 1.00 0.00 N HETATM 230 C4 UFT A 8 1.949 5.352 2.545 1.00 0.00 C HETATM 231 O4 UFT A 8 1.759 5.106 1.358 1.00 0.00 O HETATM 232 C5 UFT A 8 0.961 5.869 3.471 1.00 0.00 C HETATM 233 F2' UFT A 8 4.702 7.783 6.435 1.00 0.00 F HETATM 234 C2' UFT A 8 3.336 7.866 6.578 1.00 0.00 C HETATM 235 C5' UFT A 8 1.029 7.356 9.492 1.00 0.00 C HETATM 236 C4' UFT A 8 2.251 7.100 8.600 1.00 0.00 C HETATM 237 O4' UFT A 8 1.919 6.236 7.526 1.00 0.00 O HETATM 238 C1' UFT A 8 2.967 6.388 6.592 1.00 0.00 C HETATM 239 C3' UFT A 8 2.734 8.359 7.891 1.00 0.00 C HETATM 240 O3' UFT A 8 3.533 9.245 8.659 1.00 0.00 O HETATM 0 H5'A UFT A 8 1.316 7.998 10.325 1.00 0.00 H new HETATM 0 HN3 UFT A 8 3.930 4.831 2.473 1.00 0.00 H new HETATM 0 H6 UFT A 8 0.523 6.563 5.427 1.00 0.00 H new HETATM 0 H5' UFT A 8 0.687 6.413 9.919 1.00 0.00 H new HETATM 0 H5 UFT A 8 -0.061 6.031 3.127 1.00 0.00 H new HETATM 0 H4' UFT A 8 3.004 6.695 9.277 1.00 0.00 H new HETATM 0 H3' UFT A 8 1.904 9.039 7.701 1.00 0.00 H new HETATM 0 H2' UFT A 8 2.984 8.566 5.820 1.00 0.00 H new HETATM 0 H1' UFT A 8 3.819 5.771 6.879 1.00 0.00 H new HETATM 250 P CFL A 9 3.780 10.773 8.211 1.00 0.00 P HETATM 251 O1P CFL A 9 4.350 11.471 9.377 1.00 0.00 O HETATM 252 O2P CFL A 9 2.483 11.238 7.664 1.00 0.00 O HETATM 253 O5' CFL A 9 4.867 10.732 7.020 1.00 0.00 O HETATM 254 C5' CFL A 9 6.201 10.354 7.310 1.00 0.00 C HETATM 255 C4' CFL A 9 7.207 10.351 6.142 1.00 0.00 C HETATM 256 O4' CFL A 9 6.917 9.352 5.170 1.00 0.00 O HETATM 257 C3' CFL A 9 7.419 11.688 5.412 1.00 0.00 C HETATM 258 O3' CFL A 9 8.815 12.050 5.388 1.00 0.00 O HETATM 259 C2' CFL A 9 6.805 11.428 4.041 1.00 0.00 C HETATM 260 C1' CFL A 9 6.992 9.918 3.868 1.00 0.00 C HETATM 261 N1 CFL A 9 6.003 9.238 2.977 1.00 0.00 N HETATM 262 C2 CFL A 9 6.422 8.690 1.755 1.00 0.00 C HETATM 263 O2 CFL A 9 7.601 8.706 1.406 1.00 0.00 O HETATM 264 N3 CFL A 9 5.519 8.128 0.910 1.00 0.00 N HETATM 265 C4 CFL A 9 4.244 8.094 1.262 1.00 0.00 C HETATM 266 N4 CFL A 9 3.419 7.543 0.401 1.00 0.00 N HETATM 267 C5 CFL A 9 3.770 8.589 2.513 1.00 0.00 C HETATM 268 C6 CFL A 9 4.683 9.150 3.344 1.00 0.00 C HETATM 269 F CFL A 9 5.466 11.724 4.047 1.00 0.00 F HETATM 0 HN42 CFL A 9 2.423 7.486 0.614 1.00 0.00 H new HETATM 0 HN41 CFL A 9 3.774 7.172 -0.480 1.00 0.00 H new HETATM 0 H5'2 CFL A 9 6.581 11.025 8.080 1.00 0.00 H new HETATM 0 H5'1 CFL A 9 6.181 9.353 7.740 1.00 0.00 H new HETATM 0 H6 CFL A 9 4.366 9.535 4.313 1.00 0.00 H new HETATM 0 H5 CFL A 9 2.718 8.519 2.789 1.00 0.00 H new HETATM 0 H4' CFL A 9 8.140 10.131 6.661 1.00 0.00 H new HETATM 0 H3' CFL A 9 6.953 12.548 5.893 1.00 0.00 H new HETATM 0 H2' CFL A 9 7.256 12.028 3.251 1.00 0.00 H new HETATM 0 H1' CFL A 9 7.951 9.766 3.372 1.00 0.00 H new HETATM 280 F GF2 A 10 8.962 12.927 -1.978 1.00 0.00 F HETATM 281 P GF2 A 10 9.368 13.477 4.835 1.00 0.00 P HETATM 282 N1 GF2 A 10 5.303 9.870 -3.985 1.00 0.00 N HETATM 283 C2 GF2 A 10 6.633 10.152 -3.928 1.00 0.00 C HETATM 284 N2 GF2 A 10 7.344 10.057 -5.024 1.00 0.00 N HETATM 285 N3 GF2 A 10 7.256 10.594 -2.846 1.00 0.00 N HETATM 286 C4 GF2 A 10 6.410 10.831 -1.804 1.00 0.00 C HETATM 287 C5 GF2 A 10 5.051 10.619 -1.761 1.00 0.00 C HETATM 288 C6 GF2 A 10 4.422 10.049 -2.931 1.00 0.00 C HETATM 289 O6 GF2 A 10 3.246 9.746 -3.138 1.00 0.00 O HETATM 290 N7 GF2 A 10 4.548 11.086 -0.537 1.00 0.00 N HETATM 291 C8 GF2 A 10 5.603 11.544 0.091 1.00 0.00 C HETATM 292 N9 GF2 A 10 6.774 11.391 -0.608 1.00 0.00 N HETATM 293 C1' GF2 A 10 8.169 11.751 -0.270 1.00 0.00 C HETATM 294 OP2 GF2 A 10 8.404 14.562 5.081 1.00 0.00 O HETATM 295 C2' GF2 A 10 8.582 13.156 -0.679 1.00 0.00 C HETATM 296 OP1 GF2 A 10 10.782 13.704 5.179 1.00 0.00 O HETATM 297 C3' GF2 A 10 9.680 13.470 0.332 1.00 0.00 C HETATM 298 O3' GF2 A 10 10.877 14.007 -0.221 1.00 0.00 O HETATM 299 C4' GF2 A 10 9.816 12.185 1.149 1.00 0.00 C HETATM 300 O4' GF2 A 10 8.506 11.628 1.092 1.00 0.00 O HETATM 301 C5' GF2 A 10 10.260 12.426 2.594 1.00 0.00 C HETATM 302 O5' GF2 A 10 9.375 13.322 3.243 1.00 0.00 O HETATM 0 HN2A GF2 A 10 8.343 10.264 -5.004 1.00 0.00 H new HETATM 0 H5'A GF2 A 10 10.289 11.480 3.134 1.00 0.00 H new HETATM 0 HN2 GF2 A 10 6.899 9.776 -5.898 1.00 0.00 H new HETATM 0 HN1 GF2 A 10 4.931 9.503 -4.861 1.00 0.00 H new HETATM 0 H8 GF2 A 10 5.555 12.004 1.078 1.00 0.00 H new HETATM 0 H5' GF2 A 10 11.272 12.832 2.607 1.00 0.00 H new HETATM 0 H4' GF2 A 10 10.591 11.530 0.750 1.00 0.00 H new HETATM 0 H3' GF2 A 10 9.417 14.307 0.979 1.00 0.00 H new HETATM 0 H2' GF2 A 10 7.891 13.999 -0.665 1.00 0.00 H new HETATM 0 H1' GF2 A 10 8.709 11.009 -0.857 1.00 0.00 H new HETATM 313 P CFL A 11 10.938 15.514 -0.802 1.00 0.00 P HETATM 314 O1P CFL A 11 12.362 15.881 -0.921 1.00 0.00 O HETATM 315 O2P CFL A 11 10.053 16.308 0.086 1.00 0.00 O HETATM 316 O5' CFL A 11 10.314 15.422 -2.307 1.00 0.00 O HETATM 317 C5' CFL A 11 11.055 14.792 -3.358 1.00 0.00 C HETATM 318 C4' CFL A 11 10.389 14.620 -4.745 1.00 0.00 C HETATM 319 O4' CFL A 11 9.266 13.748 -4.709 1.00 0.00 O HETATM 320 C3' CFL A 11 9.919 15.873 -5.504 1.00 0.00 C HETATM 321 O3' CFL A 11 10.234 15.711 -6.907 1.00 0.00 O HETATM 322 C2' CFL A 11 8.425 15.902 -5.246 1.00 0.00 C HETATM 323 C1' CFL A 11 8.186 14.399 -5.367 1.00 0.00 C HETATM 324 N1 CFL A 11 6.886 13.967 -4.807 1.00 0.00 N HETATM 325 C2 CFL A 11 5.927 13.435 -5.668 1.00 0.00 C HETATM 326 O2 CFL A 11 6.148 13.311 -6.869 1.00 0.00 O HETATM 327 N3 CFL A 11 4.713 13.073 -5.198 1.00 0.00 N HETATM 328 C4 CFL A 11 4.449 13.233 -3.912 1.00 0.00 C HETATM 329 N4 CFL A 11 3.260 12.836 -3.534 1.00 0.00 N HETATM 330 C5 CFL A 11 5.405 13.750 -2.981 1.00 0.00 C HETATM 331 C6 CFL A 11 6.613 14.122 -3.477 1.00 0.00 C HETATM 332 F CFL A 11 8.100 16.433 -4.014 1.00 0.00 F HETATM 0 HN42 CFL A 11 2.979 12.925 -2.558 1.00 0.00 H new HETATM 0 HN41 CFL A 11 2.615 12.437 -4.216 1.00 0.00 H new HETATM 0 H5'2 CFL A 11 11.973 15.362 -3.502 1.00 0.00 H new HETATM 0 H5'1 CFL A 11 11.347 13.802 -3.008 1.00 0.00 H new HETATM 0 H6 CFL A 11 7.367 14.545 -2.813 1.00 0.00 H new HETATM 0 H5 CFL A 11 5.173 13.841 -1.920 1.00 0.00 H new HETATM 0 H4' CFL A 11 11.241 14.219 -5.294 1.00 0.00 H new HETATM 0 H3' CFL A 11 10.393 16.803 -5.190 1.00 0.00 H new HETATM 0 H2' CFL A 11 7.822 16.531 -5.900 1.00 0.00 H new HETATM 0 H1' CFL A 11 8.143 14.130 -6.422 1.00 0.00 H new HETATM 343 F GF2 A 12 4.746 19.269 -7.381 1.00 0.00 F HETATM 344 P GF2 A 12 9.847 16.777 -8.058 1.00 0.00 P HETATM 345 N1 GF2 A 12 0.383 14.570 -6.707 1.00 0.00 N HETATM 346 C2 GF2 A 12 1.014 14.830 -7.872 1.00 0.00 C HETATM 347 N2 GF2 A 12 0.380 14.476 -8.953 1.00 0.00 N HETATM 348 N3 GF2 A 12 2.198 15.394 -7.995 1.00 0.00 N HETATM 349 C4 GF2 A 12 2.751 15.703 -6.788 1.00 0.00 C HETATM 350 C5 GF2 A 12 2.208 15.517 -5.537 1.00 0.00 C HETATM 351 C6 GF2 A 12 0.908 14.881 -5.462 1.00 0.00 C HETATM 352 O6 GF2 A 12 0.198 14.592 -4.502 1.00 0.00 O HETATM 353 N7 GF2 A 12 3.077 16.065 -4.581 1.00 0.00 N HETATM 354 C8 GF2 A 12 4.081 16.539 -5.279 1.00 0.00 C HETATM 355 N9 GF2 A 12 3.952 16.341 -6.633 1.00 0.00 N HETATM 356 C1' GF2 A 12 4.661 16.871 -7.815 1.00 0.00 C HETATM 357 OP2 GF2 A 12 10.199 18.116 -7.546 1.00 0.00 O HETATM 358 C2' GF2 A 12 5.476 18.152 -7.743 1.00 0.00 C HETATM 359 OP1 GF2 A 12 10.555 16.391 -9.298 1.00 0.00 O HETATM 360 C3' GF2 A 12 5.817 18.152 -9.240 1.00 0.00 C HETATM 361 O3' GF2 A 12 4.613 18.428 -9.942 1.00 0.00 O HETATM 362 C4' GF2 A 12 6.158 16.669 -9.508 1.00 0.00 C HETATM 363 O4' GF2 A 12 5.515 15.945 -8.463 1.00 0.00 O HETATM 364 C5' GF2 A 12 7.664 16.356 -9.532 1.00 0.00 C HETATM 365 O5' GF2 A 12 8.260 16.699 -8.290 1.00 0.00 O HETATM 0 HO3' GF2 A 12 3.998 18.917 -9.357 1.00 0.00 H new HETATM 0 HN2A GF2 A 12 0.799 14.643 -9.868 1.00 0.00 H new HETATM 0 H5'A GF2 A 12 7.819 15.297 -9.737 1.00 0.00 H new HETATM 0 HN2 GF2 A 12 -0.536 14.032 -8.885 1.00 0.00 H new HETATM 0 HN1 GF2 A 12 -0.531 14.119 -6.745 1.00 0.00 H new HETATM 0 H8 GF2 A 12 4.936 17.042 -4.828 1.00 0.00 H new HETATM 0 H5' GF2 A 12 8.144 16.910 -10.339 1.00 0.00 H new HETATM 0 H4' GF2 A 12 5.815 16.392 -10.505 1.00 0.00 H new HETATM 0 H3' GF2 A 12 6.599 18.857 -9.523 1.00 0.00 H new HETATM 0 H2' GF2 A 12 6.285 18.185 -7.013 1.00 0.00 H new HETATM 0 H1' GF2 A 12 3.745 17.107 -8.357 1.00 0.00 H new TER 377 GF2 A 12 HETATM 378 N1 CFZ B 13 -3.705 11.885 -8.821 1.00 0.00 N HETATM 379 C2 CFZ B 13 -2.527 12.658 -8.829 1.00 0.00 C HETATM 380 O2 CFZ B 13 -2.016 12.982 -9.909 1.00 0.00 O HETATM 381 N3 CFZ B 13 -1.965 13.023 -7.616 1.00 0.00 N HETATM 382 C4 CFZ B 13 -2.516 12.589 -6.466 1.00 0.00 C HETATM 383 N4 CFZ B 13 -2.000 12.928 -5.297 1.00 0.00 N HETATM 384 C5 CFZ B 13 -3.693 11.780 -6.458 1.00 0.00 C HETATM 385 C6 CFZ B 13 -4.250 11.453 -7.644 1.00 0.00 C HETATM 386 C1' CFZ B 13 -4.411 11.594 -10.099 1.00 0.00 C HETATM 387 C2' CFZ B 13 -3.738 10.489 -10.914 1.00 0.00 C HETATM 388 F2' CFZ B 13 -3.045 11.244 -11.836 1.00 0.00 F HETATM 389 C3' CFZ B 13 -4.917 9.599 -11.318 1.00 0.00 C HETATM 390 O3' CFZ B 13 -4.792 8.947 -12.573 1.00 0.00 O HETATM 391 C4' CFZ B 13 -6.094 10.551 -11.176 1.00 0.00 C HETATM 392 O4' CFZ B 13 -5.768 11.202 -9.950 1.00 0.00 O HETATM 393 C5' CFZ B 13 -7.455 9.853 -11.091 1.00 0.00 C HETATM 394 O5' CFZ B 13 -7.554 9.092 -9.901 1.00 0.00 O HETATM 0 HN4A CFZ B 13 -2.428 12.592 -4.434 1.00 0.00 H new HETATM 0 H5'A CFZ B 13 -8.252 10.595 -11.121 1.00 0.00 H new HETATM 0 HN4 CFZ B 13 -1.174 13.526 -5.258 1.00 0.00 H new HETATM 0 H6 CFZ B 13 -5.148 10.835 -7.663 1.00 0.00 H new HETATM 0 H5' CFZ B 13 -7.591 9.204 -11.956 1.00 0.00 H new HETATM 0 H5 CFZ B 13 -4.130 11.436 -5.520 1.00 0.00 H new HETATM 0 H4' CFZ B 13 -6.214 11.207 -12.038 1.00 0.00 H new HETATM 0 H3' CFZ B 13 -5.016 8.712 -10.693 1.00 0.00 H new HETATM 0 H2' CFZ B 13 -3.014 9.784 -10.505 1.00 0.00 H new HETATM 0 H1' CFZ B 13 -4.362 12.554 -10.613 1.00 0.00 H new HETATM 406 F GF2 B 14 2.717 9.334 -12.336 1.00 0.00 F HETATM 407 P GF2 B 14 -3.864 7.647 -12.735 1.00 0.00 P HETATM 408 N1 GF2 B 14 3.121 12.210 -7.390 1.00 0.00 N HETATM 409 C2 GF2 B 14 3.467 12.247 -8.709 1.00 0.00 C HETATM 410 N2 GF2 B 14 4.626 12.764 -9.031 1.00 0.00 N HETATM 411 N3 GF2 B 14 2.731 11.735 -9.692 1.00 0.00 N HETATM 412 C4 GF2 B 14 1.595 11.139 -9.239 1.00 0.00 C HETATM 413 C5 GF2 B 14 1.148 11.053 -7.938 1.00 0.00 C HETATM 414 C6 GF2 B 14 1.947 11.663 -6.906 1.00 0.00 C HETATM 415 O6 GF2 B 14 1.738 11.754 -5.698 1.00 0.00 O HETATM 416 N7 GF2 B 14 -0.051 10.324 -7.898 1.00 0.00 N HETATM 417 C8 GF2 B 14 -0.265 10.004 -9.146 1.00 0.00 C HETATM 418 N9 GF2 B 14 0.688 10.468 -10.017 1.00 0.00 N HETATM 419 C1' GF2 B 14 0.836 10.216 -11.468 1.00 0.00 C HETATM 420 OP2 GF2 B 14 -4.064 6.701 -11.621 1.00 0.00 O HETATM 421 C2' GF2 B 14 1.559 8.902 -11.729 1.00 0.00 C HETATM 422 OP1 GF2 B 14 -3.952 7.069 -14.089 1.00 0.00 O HETATM 423 C3' GF2 B 14 0.568 8.063 -12.533 1.00 0.00 C HETATM 424 O3' GF2 B 14 1.167 7.076 -13.376 1.00 0.00 O HETATM 425 C4' GF2 B 14 -0.275 9.180 -13.151 1.00 0.00 C HETATM 426 O4' GF2 B 14 -0.434 10.086 -12.062 1.00 0.00 O HETATM 427 C5' GF2 B 14 -1.655 8.743 -13.636 1.00 0.00 C HETATM 428 O5' GF2 B 14 -2.363 8.143 -12.567 1.00 0.00 O HETATM 0 HN2A GF2 B 14 4.912 12.805 -10.009 1.00 0.00 H new HETATM 0 H5'A GF2 B 14 -2.208 9.602 -14.015 1.00 0.00 H new HETATM 0 HN2 GF2 B 14 5.243 13.125 -8.304 1.00 0.00 H new HETATM 0 HN1 GF2 B 14 3.772 12.613 -6.716 1.00 0.00 H new HETATM 0 H8 GF2 B 14 -1.126 9.419 -9.468 1.00 0.00 H new HETATM 0 H5' GF2 B 14 -1.556 8.038 -14.461 1.00 0.00 H new HETATM 0 H4' GF2 B 14 0.211 9.579 -14.041 1.00 0.00 H new HETATM 0 H3' GF2 B 14 -0.049 7.359 -11.975 1.00 0.00 H new HETATM 0 H2' GF2 B 14 1.852 8.252 -10.905 1.00 0.00 H new HETATM 0 H1' GF2 B 14 1.398 11.054 -11.881 1.00 0.00 H new HETATM 439 P CFZ B 15 1.843 5.753 -12.726 1.00 0.00 P HETATM 440 N1 CFZ B 15 4.686 8.346 -8.706 1.00 0.00 N HETATM 441 C2 CFZ B 15 5.074 8.986 -7.527 1.00 0.00 C HETATM 442 O2 CFZ B 15 6.199 9.456 -7.407 1.00 0.00 O HETATM 443 N3 CFZ B 15 4.217 9.059 -6.480 1.00 0.00 N HETATM 444 C4 CFZ B 15 3.019 8.515 -6.583 1.00 0.00 C HETATM 445 N4 CFZ B 15 2.231 8.637 -5.544 1.00 0.00 N HETATM 446 C5 CFZ B 15 2.578 7.830 -7.759 1.00 0.00 C HETATM 447 C6 CFZ B 15 3.458 7.748 -8.792 1.00 0.00 C HETATM 448 C1' CFZ B 15 5.666 8.244 -9.823 1.00 0.00 C HETATM 449 O1P CFZ B 15 2.292 4.779 -13.743 1.00 0.00 O HETATM 450 C2' CFZ B 15 6.458 6.967 -9.736 1.00 0.00 C HETATM 451 F2' CFZ B 15 7.774 7.359 -9.797 1.00 0.00 F HETATM 452 O2P CFZ B 15 0.999 5.258 -11.623 1.00 0.00 O HETATM 453 C3' CFZ B 15 5.902 6.107 -10.872 1.00 0.00 C HETATM 454 O3' CFZ B 15 6.812 5.145 -11.393 1.00 0.00 O HETATM 455 C4' CFZ B 15 5.438 7.169 -11.859 1.00 0.00 C HETATM 456 O4' CFZ B 15 4.951 8.227 -11.048 1.00 0.00 O HETATM 457 C5' CFZ B 15 4.330 6.663 -12.792 1.00 0.00 C HETATM 458 O5' CFZ B 15 3.208 6.222 -12.030 1.00 0.00 O HETATM 0 HN4A CFZ B 15 1.293 8.237 -5.565 1.00 0.00 H new HETATM 0 H5'A CFZ B 15 4.027 7.458 -13.473 1.00 0.00 H new HETATM 0 HN4 CFZ B 15 2.555 9.132 -4.713 1.00 0.00 H new HETATM 0 H6 CFZ B 15 3.184 7.202 -9.695 1.00 0.00 H new HETATM 0 H5' CFZ B 15 4.707 5.845 -13.405 1.00 0.00 H new HETATM 0 H5 CFZ B 15 1.581 7.393 -7.824 1.00 0.00 H new HETATM 0 H4' CFZ B 15 6.254 7.472 -12.515 1.00 0.00 H new HETATM 0 H3' CFZ B 15 5.101 5.437 -10.560 1.00 0.00 H new HETATM 0 H2' CFZ B 15 6.386 6.358 -8.835 1.00 0.00 H new HETATM 0 H1' CFZ B 15 6.347 9.093 -9.763 1.00 0.00 H new HETATM 469 F GF2 B 16 10.634 5.343 -4.838 1.00 0.00 F HETATM 470 P GF2 B 16 7.028 3.738 -10.647 1.00 0.00 P HETATM 471 N1 GF2 B 16 6.423 7.274 -1.644 1.00 0.00 N HETATM 472 C2 GF2 B 16 7.749 7.351 -1.938 1.00 0.00 C HETATM 473 N2 GF2 B 16 8.563 7.739 -0.984 1.00 0.00 N HETATM 474 N3 GF2 B 16 8.275 7.046 -3.124 1.00 0.00 N HETATM 475 C4 GF2 B 16 7.334 6.678 -4.043 1.00 0.00 C HETATM 476 C5 GF2 B 16 5.974 6.556 -3.848 1.00 0.00 C HETATM 477 C6 GF2 B 16 5.455 6.846 -2.538 1.00 0.00 C HETATM 478 O6 GF2 B 16 4.300 6.766 -2.119 1.00 0.00 O HETATM 479 N7 GF2 B 16 5.349 6.134 -5.031 1.00 0.00 N HETATM 480 C8 GF2 B 16 6.339 6.031 -5.876 1.00 0.00 C HETATM 481 N9 GF2 B 16 7.568 6.331 -5.349 1.00 0.00 N HETATM 482 C1' GF2 B 16 8.889 6.177 -5.996 1.00 0.00 C HETATM 483 OP2 GF2 B 16 5.650 3.247 -10.372 1.00 0.00 O HETATM 484 C2' GF2 B 16 9.547 4.880 -5.546 1.00 0.00 C HETATM 485 OP1 GF2 B 16 7.954 2.914 -11.447 1.00 0.00 O HETATM 486 C3' GF2 B 16 9.736 4.102 -6.846 1.00 0.00 C HETATM 487 O3' GF2 B 16 10.920 3.317 -6.848 1.00 0.00 O HETATM 488 C4' GF2 B 16 9.633 5.168 -7.929 1.00 0.00 C HETATM 489 O4' GF2 B 16 8.681 6.074 -7.394 1.00 0.00 O HETATM 490 C5' GF2 B 16 9.145 4.620 -9.286 1.00 0.00 C HETATM 491 O5' GF2 B 16 7.788 4.153 -9.269 1.00 0.00 O HETATM 0 HN2A GF2 B 16 9.564 7.809 -1.165 1.00 0.00 H new HETATM 0 H5'A GF2 B 16 9.240 5.403 -10.039 1.00 0.00 H new HETATM 0 HN2 GF2 B 16 8.194 7.970 -0.062 1.00 0.00 H new HETATM 0 HN1 GF2 B 16 6.123 7.548 -0.708 1.00 0.00 H new HETATM 0 H8 GF2 B 16 6.200 5.731 -6.915 1.00 0.00 H new HETATM 0 H5' GF2 B 16 9.797 3.802 -9.592 1.00 0.00 H new HETATM 0 H4' GF2 B 16 10.605 5.608 -8.149 1.00 0.00 H new HETATM 0 H3' GF2 B 16 8.983 3.331 -7.009 1.00 0.00 H new HETATM 0 H2' GF2 B 16 9.046 4.172 -4.886 1.00 0.00 H new HETATM 0 H1' GF2 B 16 9.519 7.027 -5.733 1.00 0.00 H new HETATM 502 F AF2 B 17 10.998 2.958 0.756 1.00 0.00 F HETATM 503 P AF2 B 17 10.986 1.889 -6.119 1.00 0.00 P HETATM 504 N1 AF2 B 17 5.378 4.631 1.364 1.00 0.00 N HETATM 505 C2 AF2 B 17 6.626 4.674 1.820 1.00 0.00 C HETATM 506 N3 AF2 B 17 7.751 4.443 1.142 1.00 0.00 N HETATM 507 C4 AF2 B 17 7.510 4.137 -0.166 1.00 0.00 C HETATM 508 C5 AF2 B 17 6.281 4.055 -0.772 1.00 0.00 C HETATM 509 C6 AF2 B 17 5.184 4.332 0.077 1.00 0.00 C HETATM 510 N6 AF2 B 17 3.918 4.347 -0.315 1.00 0.00 N HETATM 511 N7 AF2 B 17 6.401 3.700 -2.120 1.00 0.00 N HETATM 512 C8 AF2 B 17 7.691 3.584 -2.276 1.00 0.00 C HETATM 513 N9 AF2 B 17 8.433 3.838 -1.149 1.00 0.00 N HETATM 514 C1' AF2 B 17 9.913 3.782 -1.028 1.00 0.00 C HETATM 515 OP2 AF2 B 17 9.768 1.188 -6.577 1.00 0.00 O HETATM 516 C2' AF2 B 17 10.391 2.482 -0.391 1.00 0.00 C HETATM 517 OP1 AF2 B 17 12.254 1.290 -6.576 1.00 0.00 O HETATM 518 C3' AF2 B 17 11.250 1.819 -1.476 1.00 0.00 C HETATM 519 O3' AF2 B 17 12.335 1.059 -0.957 1.00 0.00 O HETATM 520 C4' AF2 B 17 11.639 3.006 -2.351 1.00 0.00 C HETATM 521 O4' AF2 B 17 10.455 3.797 -2.340 1.00 0.00 O HETATM 522 C5' AF2 B 17 12.034 2.648 -3.797 1.00 0.00 C HETATM 523 O5' AF2 B 17 10.945 2.090 -4.520 1.00 0.00 O HETATM 0 HN6A AF2 B 17 3.681 4.130 -1.283 1.00 0.00 H new HETATM 0 H5'A AF2 B 17 12.389 3.543 -4.309 1.00 0.00 H new HETATM 0 HN6 AF2 B 17 3.180 4.576 0.351 1.00 0.00 H new HETATM 0 H8 AF2 B 17 8.145 3.307 -3.228 1.00 0.00 H new HETATM 0 H5' AF2 B 17 12.862 1.939 -3.783 1.00 0.00 H new HETATM 0 H4' AF2 B 17 12.533 3.496 -1.967 1.00 0.00 H new HETATM 0 H3' AF2 B 17 10.728 1.048 -2.044 1.00 0.00 H new HETATM 0 H2' AF2 B 17 9.692 1.702 -0.090 1.00 0.00 H new HETATM 0 H2 AF2 B 17 6.744 4.928 2.873 1.00 0.00 H new HETATM 0 H1' AF2 B 17 10.228 4.625 -0.412 1.00 0.00 H new HETATM 534 F AF2 B 18 8.398 0.617 5.394 1.00 0.00 F HETATM 535 P AF2 B 18 12.127 -0.413 -0.336 1.00 0.00 P HETATM 536 N1 AF2 B 18 3.224 2.027 3.595 1.00 0.00 N HETATM 537 C2 AF2 B 18 4.202 2.049 4.499 1.00 0.00 C HETATM 538 N3 AF2 B 18 5.498 1.826 4.308 1.00 0.00 N HETATM 539 C4 AF2 B 18 5.787 1.549 3.010 1.00 0.00 C HETATM 540 C5 AF2 B 18 4.902 1.485 1.970 1.00 0.00 C HETATM 541 C6 AF2 B 18 3.562 1.763 2.325 1.00 0.00 C HETATM 542 N6 AF2 B 18 2.563 1.761 1.459 1.00 0.00 N HETATM 543 N7 AF2 B 18 5.556 1.154 0.777 1.00 0.00 N HETATM 544 C8 AF2 B 18 6.806 1.044 1.144 1.00 0.00 C HETATM 545 N9 AF2 B 18 7.023 1.255 2.485 1.00 0.00 N HETATM 546 C1' AF2 B 18 8.300 1.224 3.240 1.00 0.00 C HETATM 547 OP2 AF2 B 18 11.379 -1.287 -1.256 1.00 0.00 O HETATM 548 C2' AF2 B 18 8.436 0.009 4.156 1.00 0.00 C HETATM 549 OP1 AF2 B 18 13.399 -0.963 0.174 1.00 0.00 O HETATM 550 C3' AF2 B 18 9.744 -0.668 3.716 1.00 0.00 C HETATM 551 O3' AF2 B 18 10.454 -1.328 4.766 1.00 0.00 O HETATM 552 C4' AF2 B 18 10.453 0.532 3.094 1.00 0.00 C HETATM 553 O4' AF2 B 18 9.394 1.130 2.357 1.00 0.00 O HETATM 554 C5' AF2 B 18 11.635 0.218 2.172 1.00 0.00 C HETATM 555 O5' AF2 B 18 11.185 -0.342 0.953 1.00 0.00 O HETATM 0 HN6A AF2 B 18 2.743 1.568 0.474 1.00 0.00 H new HETATM 0 H5'A AF2 B 18 12.199 1.129 1.973 1.00 0.00 H new HETATM 0 HN6 AF2 B 18 1.613 1.952 1.776 1.00 0.00 H new HETATM 0 H8 AF2 B 18 7.608 0.805 0.446 1.00 0.00 H new HETATM 0 H5' AF2 B 18 12.315 -0.476 2.667 1.00 0.00 H new HETATM 0 H4' AF2 B 18 10.924 1.146 3.861 1.00 0.00 H new HETATM 0 H3' AF2 B 18 9.622 -1.513 3.038 1.00 0.00 H new HETATM 0 H2' AF2 B 18 7.697 -0.792 4.145 1.00 0.00 H new HETATM 0 H2 AF2 B 18 3.902 2.278 5.522 1.00 0.00 H new HETATM 0 H1' AF2 B 18 8.295 2.143 3.826 1.00 0.00 H new HETATM 566 P TAF B 19 9.975 -2.727 5.406 1.00 0.00 P HETATM 567 OP1 TAF B 19 10.836 -3.075 6.561 1.00 0.00 O HETATM 568 OP2 TAF B 19 9.818 -3.749 4.353 1.00 0.00 O HETATM 569 O5' TAF B 19 8.505 -2.568 6.025 1.00 0.00 O HETATM 570 N1 TAF B 19 3.978 -1.011 5.315 1.00 0.00 N HETATM 571 C6 TAF B 19 4.505 -1.423 4.112 1.00 0.00 C HETATM 572 C2 TAF B 19 2.611 -0.732 5.444 1.00 0.00 C HETATM 573 O2 TAF B 19 2.094 -0.384 6.500 1.00 0.00 O HETATM 574 N3 TAF B 19 1.831 -0.886 4.320 1.00 0.00 N HETATM 575 C4 TAF B 19 2.277 -1.318 3.088 1.00 0.00 C HETATM 576 O4 TAF B 19 1.462 -1.433 2.177 1.00 0.00 O HETATM 577 C5 TAF B 19 3.715 -1.593 3.019 1.00 0.00 C HETATM 578 C5M TAF B 19 4.352 -2.058 1.723 1.00 0.00 C HETATM 579 F2' TAF B 19 4.258 -3.446 6.336 1.00 0.00 F HETATM 580 C2' TAF B 19 4.632 -2.446 7.221 1.00 0.00 C HETATM 581 C5' TAF B 19 8.302 -1.823 7.219 1.00 0.00 C HETATM 582 C4' TAF B 19 6.831 -1.524 7.541 1.00 0.00 C HETATM 583 O4' TAF B 19 6.176 -0.874 6.448 1.00 0.00 O HETATM 584 C1' TAF B 19 4.773 -1.073 6.572 1.00 0.00 C HETATM 585 C3' TAF B 19 6.028 -2.801 7.765 1.00 0.00 C HETATM 586 O3' TAF B 19 6.010 -3.192 9.136 1.00 0.00 O HETATM 0 H5'' TAF B 19 8.739 -2.372 8.053 1.00 0.00 H new HETATM 0 H73 TAF B 19 5.106 -1.336 1.408 1.00 0.00 H new HETATM 0 H72 TAF B 19 4.822 -3.029 1.877 1.00 0.00 H new HETATM 0 H71 TAF B 19 3.587 -2.143 0.952 1.00 0.00 H new HETATM 0 H6 TAF B 19 5.575 -1.616 4.034 1.00 0.00 H new HETATM 0 H5' TAF B 19 8.842 -0.880 7.140 1.00 0.00 H new HETATM 0 H4' TAF B 19 6.859 -0.900 8.434 1.00 0.00 H new HETATM 0 H3' TAF B 19 6.457 -3.667 7.261 1.00 0.00 H new HETATM 0 H3 TAF B 19 0.840 -0.662 4.405 1.00 0.00 H new HETATM 0 H2' TAF B 19 3.852 -2.391 7.981 1.00 0.00 H new HETATM 0 H1' TAF B 19 4.360 -0.248 7.153 1.00 0.00 H new HETATM 598 P UFT B 20 5.346 -4.584 9.604 1.00 0.00 P HETATM 599 OP1 UFT B 20 5.755 -4.918 10.982 1.00 0.00 O HETATM 600 OP2 UFT B 20 5.549 -5.619 8.575 1.00 0.00 O HETATM 601 O5' UFT B 20 3.765 -4.330 9.692 1.00 0.00 O HETATM 602 N1 UFT B 20 0.051 -3.635 7.294 1.00 0.00 N HETATM 603 C6 UFT B 20 1.094 -3.917 6.431 1.00 0.00 C HETATM 604 C2 UFT B 20 -1.230 -3.408 6.779 1.00 0.00 C HETATM 605 O2 UFT B 20 -2.190 -3.092 7.474 1.00 0.00 O HETATM 606 N3 UFT B 20 -1.397 -3.556 5.416 1.00 0.00 N HETATM 607 C4 UFT B 20 -0.413 -3.871 4.509 1.00 0.00 C HETATM 608 O4 UFT B 20 -0.686 -3.994 3.322 1.00 0.00 O HETATM 609 C5 UFT B 20 0.897 -4.034 5.092 1.00 0.00 C HETATM 610 F2' UFT B 20 -0.481 -5.857 9.539 1.00 0.00 F HETATM 611 C2' UFT B 20 0.478 -4.877 9.493 1.00 0.00 C HETATM 612 C5' UFT B 20 3.259 -3.332 10.565 1.00 0.00 C HETATM 613 C4' UFT B 20 1.739 -3.163 10.475 1.00 0.00 C HETATM 614 O4' UFT B 20 1.358 -2.785 9.150 1.00 0.00 O HETATM 615 C1' UFT B 20 0.222 -3.549 8.779 1.00 0.00 C HETATM 616 C3' UFT B 20 0.941 -4.422 10.877 1.00 0.00 C HETATM 617 O3' UFT B 20 -0.101 -3.918 11.714 1.00 0.00 O HETATM 0 H5'A UFT B 20 3.530 -3.585 11.590 1.00 0.00 H new HETATM 0 HN3 UFT B 20 -2.338 -3.419 5.048 1.00 0.00 H new HETATM 0 H6 UFT B 20 2.098 -4.049 6.835 1.00 0.00 H new HETATM 0 H5' UFT B 20 3.738 -2.380 10.334 1.00 0.00 H new HETATM 0 H5 UFT B 20 1.746 -4.255 4.445 1.00 0.00 H new HETATM 0 H4' UFT B 20 1.492 -2.381 11.193 1.00 0.00 H new HETATM 0 H3' UFT B 20 1.423 -5.236 11.419 1.00 0.00 H new HETATM 0 H2' UFT B 20 1.190 -5.448 8.897 1.00 0.00 H new HETATM 0 H1' UFT B 20 -0.734 -3.116 9.074 1.00 0.00 H new HETATM 627 P CFL B 21 -1.001 -4.929 12.609 1.00 0.00 P HETATM 628 O1P CFL B 21 -1.575 -4.205 13.762 1.00 0.00 O HETATM 629 O2P CFL B 21 -0.225 -6.163 12.848 1.00 0.00 O HETATM 630 O5' CFL B 21 -2.244 -5.309 11.666 1.00 0.00 O HETATM 631 C5' CFL B 21 -3.267 -4.363 11.398 1.00 0.00 C HETATM 632 C4' CFL B 21 -4.400 -4.921 10.531 1.00 0.00 C HETATM 633 O4' CFL B 21 -4.104 -4.875 9.147 1.00 0.00 O HETATM 634 C3' CFL B 21 -4.822 -6.360 10.865 1.00 0.00 C HETATM 635 O3' CFL B 21 -6.160 -6.386 11.385 1.00 0.00 O HETATM 636 C2' CFL B 21 -4.618 -7.137 9.569 1.00 0.00 C HETATM 637 C1' CFL B 21 -4.663 -6.023 8.534 1.00 0.00 C HETATM 638 N1 CFL B 21 -3.973 -6.283 7.235 1.00 0.00 N HETATM 639 C2 CFL B 21 -4.740 -6.274 6.070 1.00 0.00 C HETATM 640 O2 CFL B 21 -5.961 -6.144 6.112 1.00 0.00 O HETATM 641 N3 CFL B 21 -4.156 -6.443 4.862 1.00 0.00 N HETATM 642 C4 CFL B 21 -2.847 -6.621 4.794 1.00 0.00 C HETATM 643 N4 CFL B 21 -2.375 -6.814 3.588 1.00 0.00 N HETATM 644 C5 CFL B 21 -2.000 -6.610 5.950 1.00 0.00 C HETATM 645 C6 CFL B 21 -2.612 -6.452 7.154 1.00 0.00 C HETATM 646 F CFL B 21 -3.387 -7.743 9.544 1.00 0.00 F HETATM 0 HN42 CFL B 21 -1.375 -6.959 3.449 1.00 0.00 H new HETATM 0 HN41 CFL B 21 -3.007 -6.819 2.788 1.00 0.00 H new HETATM 0 H5'2 CFL B 21 -3.682 -4.010 12.342 1.00 0.00 H new HETATM 0 H5'1 CFL B 21 -2.830 -3.498 10.899 1.00 0.00 H new HETATM 0 H6 CFL B 21 -2.015 -6.460 8.066 1.00 0.00 H new HETATM 0 H5 CFL B 21 -0.919 -6.723 5.868 1.00 0.00 H new HETATM 0 H4' CFL B 21 -5.230 -4.256 10.770 1.00 0.00 H new HETATM 0 H3' CFL B 21 -4.233 -6.820 11.658 1.00 0.00 H new HETATM 0 H2' CFL B 21 -5.348 -7.933 9.418 1.00 0.00 H new HETATM 0 H1' CFL B 21 -5.708 -5.910 8.247 1.00 0.00 H new HETATM 657 F GF2 B 22 -8.372 -11.543 6.489 1.00 0.00 F HETATM 658 P GF2 B 22 -6.772 -7.675 12.134 1.00 0.00 P HETATM 659 N1 GF2 B 22 -6.029 -10.183 1.931 1.00 0.00 N HETATM 660 C2 GF2 B 22 -7.225 -10.271 2.571 1.00 0.00 C HETATM 661 N2 GF2 B 22 -8.285 -10.598 1.876 1.00 0.00 N HETATM 662 N3 GF2 B 22 -7.397 -10.078 3.872 1.00 0.00 N HETATM 663 C4 GF2 B 22 -6.229 -9.843 4.534 1.00 0.00 C HETATM 664 C5 GF2 B 22 -4.961 -9.778 4.001 1.00 0.00 C HETATM 665 C6 GF2 B 22 -4.825 -9.926 2.569 1.00 0.00 C HETATM 666 O6 GF2 B 22 -3.825 -9.896 1.855 1.00 0.00 O HETATM 667 N7 GF2 B 22 -4.032 -9.609 5.039 1.00 0.00 N HETATM 668 C8 GF2 B 22 -4.764 -9.528 6.122 1.00 0.00 C HETATM 669 N9 GF2 B 22 -6.110 -9.650 5.887 1.00 0.00 N HETATM 670 C1' GF2 B 22 -7.265 -9.630 6.811 1.00 0.00 C HETATM 671 OP2 GF2 B 22 -5.651 -8.240 12.926 1.00 0.00 O HETATM 672 C2' GF2 B 22 -7.578 -10.970 7.456 1.00 0.00 C HETATM 673 OP1 GF2 B 22 -8.011 -7.292 12.827 1.00 0.00 O HETATM 674 C3' GF2 B 22 -8.246 -10.522 8.756 1.00 0.00 C HETATM 675 O3' GF2 B 22 -9.477 -11.171 9.063 1.00 0.00 O HETATM 676 C4' GF2 B 22 -8.291 -9.001 8.675 1.00 0.00 C HETATM 677 O4' GF2 B 22 -7.163 -8.695 7.865 1.00 0.00 O HETATM 678 C5' GF2 B 22 -8.262 -8.291 10.042 1.00 0.00 C HETATM 679 O5' GF2 B 22 -7.198 -8.677 10.926 1.00 0.00 O HETATM 0 HN2A GF2 B 22 -9.193 -10.670 2.335 1.00 0.00 H new HETATM 0 H5'A GF2 B 22 -8.194 -7.217 9.871 1.00 0.00 H new HETATM 0 HN2 GF2 B 22 -8.203 -10.781 0.876 1.00 0.00 H new HETATM 0 HN1 GF2 B 22 -6.016 -10.314 0.920 1.00 0.00 H new HETATM 0 H8 GF2 B 22 -4.343 -9.378 7.116 1.00 0.00 H new HETATM 0 H5' GF2 B 22 -9.211 -8.474 10.545 1.00 0.00 H new HETATM 0 H4' GF2 B 22 -9.232 -8.641 8.260 1.00 0.00 H new HETATM 0 H3' GF2 B 22 -7.669 -10.837 9.625 1.00 0.00 H new HETATM 0 H2' GF2 B 22 -6.807 -11.694 7.720 1.00 0.00 H new HETATM 0 H1' GF2 B 22 -8.068 -9.340 6.133 1.00 0.00 H new HETATM 690 P CFL B 23 -9.515 -12.670 9.651 1.00 0.00 P HETATM 691 O1P CFL B 23 -10.867 -12.887 10.198 1.00 0.00 O HETATM 692 O2P CFL B 23 -8.352 -12.704 10.580 1.00 0.00 O HETATM 693 O5' CFL B 23 -9.320 -13.658 8.360 1.00 0.00 O HETATM 694 C5' CFL B 23 -10.426 -13.929 7.477 1.00 0.00 C HETATM 695 C4' CFL B 23 -10.206 -14.788 6.203 1.00 0.00 C HETATM 696 O4' CFL B 23 -9.398 -14.116 5.246 1.00 0.00 O HETATM 697 C3' CFL B 23 -9.612 -16.202 6.344 1.00 0.00 C HETATM 698 O3' CFL B 23 -10.278 -17.107 5.430 1.00 0.00 O HETATM 699 C2' CFL B 23 -8.152 -15.994 5.990 1.00 0.00 C HETATM 700 C1' CFL B 23 -8.375 -15.011 4.836 1.00 0.00 C HETATM 701 N1 CFL B 23 -7.181 -14.248 4.408 1.00 0.00 N HETATM 702 C2 CFL B 23 -6.808 -14.264 3.062 1.00 0.00 C HETATM 703 O2 CFL B 23 -7.511 -14.781 2.198 1.00 0.00 O HETATM 704 N3 CFL B 23 -5.635 -13.707 2.680 1.00 0.00 N HETATM 705 C4 CFL B 23 -4.876 -13.117 3.585 1.00 0.00 C HETATM 706 N4 CFL B 23 -3.742 -12.638 3.146 1.00 0.00 N HETATM 707 C5 CFL B 23 -5.267 -12.983 4.953 1.00 0.00 C HETATM 708 C6 CFL B 23 -6.436 -13.560 5.323 1.00 0.00 C HETATM 709 F CFL B 23 -7.406 -15.514 7.048 1.00 0.00 F HETATM 0 HN42 CFL B 23 -3.104 -12.169 3.788 1.00 0.00 H new HETATM 0 HN41 CFL B 23 -3.495 -12.734 2.161 1.00 0.00 H new HETATM 0 H5'2 CFL B 23 -11.201 -14.417 8.068 1.00 0.00 H new HETATM 0 H5'1 CFL B 23 -10.828 -12.968 7.155 1.00 0.00 H new HETATM 0 H6 CFL B 23 -6.782 -13.475 6.353 1.00 0.00 H new HETATM 0 H5 CFL B 23 -4.651 -12.439 5.669 1.00 0.00 H new HETATM 0 H4' CFL B 23 -11.243 -14.926 5.898 1.00 0.00 H new HETATM 0 H3' CFL B 23 -9.733 -16.647 7.332 1.00 0.00 H new HETATM 0 H2' CFL B 23 -7.564 -16.876 5.735 1.00 0.00 H new HETATM 0 H1' CFL B 23 -8.645 -15.599 3.959 1.00 0.00 H new HETATM 720 F GF2 B 24 -4.139 -19.159 5.746 1.00 0.00 F HETATM 721 P GF2 B 24 -9.859 -18.668 5.204 1.00 0.00 P HETATM 722 N1 GF2 B 24 -1.609 -15.836 0.751 1.00 0.00 N HETATM 723 C2 GF2 B 24 -2.569 -16.737 0.440 1.00 0.00 C HETATM 724 N2 GF2 B 24 -2.451 -17.336 -0.716 1.00 0.00 N HETATM 725 N3 GF2 B 24 -3.506 -17.169 1.266 1.00 0.00 N HETATM 726 C4 GF2 B 24 -3.441 -16.575 2.495 1.00 0.00 C HETATM 727 C5 GF2 B 24 -2.512 -15.656 2.930 1.00 0.00 C HETATM 728 C6 GF2 B 24 -1.496 -15.229 1.991 1.00 0.00 C HETATM 729 O6 GF2 B 24 -0.547 -14.459 2.122 1.00 0.00 O HETATM 730 N7 GF2 B 24 -2.750 -15.364 4.280 1.00 0.00 N HETATM 731 C8 GF2 B 24 -3.774 -16.114 4.601 1.00 0.00 C HETATM 732 N9 GF2 B 24 -4.205 -16.930 3.581 1.00 0.00 N HETATM 733 C1' GF2 B 24 -4.888 -18.243 3.611 1.00 0.00 C HETATM 734 OP2 GF2 B 24 -9.510 -19.230 6.524 1.00 0.00 O HETATM 735 C2' GF2 B 24 -5.232 -18.895 4.944 1.00 0.00 C HETATM 736 OP1 GF2 B 24 -10.897 -19.309 4.369 1.00 0.00 O HETATM 737 C3' GF2 B 24 -5.812 -20.169 4.333 1.00 0.00 C HETATM 738 O3' GF2 B 24 -4.723 -20.910 3.804 1.00 0.00 O HETATM 739 C4' GF2 B 24 -6.627 -19.627 3.136 1.00 0.00 C HETATM 740 O4' GF2 B 24 -6.092 -18.329 2.873 1.00 0.00 O HETATM 741 C5' GF2 B 24 -8.151 -19.549 3.353 1.00 0.00 C HETATM 742 O5' GF2 B 24 -8.500 -18.581 4.329 1.00 0.00 O HETATM 0 HO3' GF2 B 24 -3.925 -20.753 4.350 1.00 0.00 H new HETATM 0 HN2A GF2 B 24 -3.144 -18.026 -1.006 1.00 0.00 H new HETATM 0 H5'A GF2 B 24 -8.639 -19.305 2.410 1.00 0.00 H new HETATM 0 HN2 GF2 B 24 -1.666 -17.114 -1.328 1.00 0.00 H new HETATM 0 HN1 GF2 B 24 -0.930 -15.590 0.031 1.00 0.00 H new HETATM 0 H8 GF2 B 24 -4.242 -16.094 5.585 1.00 0.00 H new HETATM 0 H5' GF2 B 24 -8.524 -20.526 3.662 1.00 0.00 H new HETATM 0 H4' GF2 B 24 -6.528 -20.322 2.302 1.00 0.00 H new HETATM 0 H3' GF2 B 24 -6.387 -20.784 5.026 1.00 0.00 H new HETATM 0 H2' GF2 B 24 -5.855 -18.312 5.622 1.00 0.00 H new HETATM 0 H1' GF2 B 24 -4.055 -18.782 3.160 1.00 0.00 H new TER 754 GF2 B 24