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 23:sc= -0.202 USER MOD Single : B 24 GF2 O3' : rot 32:sc= -0.0584 USER MOD ----------------------------------------------------------------- HETATM 1 N1 CFZ A 1 0.722 -15.939 -4.535 1.00 0.00 N HETATM 2 C2 CFZ A 1 -0.307 -16.416 -3.695 1.00 0.00 C HETATM 3 O2 CFZ A 1 -1.170 -17.176 -4.146 1.00 0.00 O HETATM 4 N3 CFZ A 1 -0.325 -16.011 -2.370 1.00 0.00 N HETATM 5 C4 CFZ A 1 0.624 -15.171 -1.917 1.00 0.00 C HETATM 6 N4 CFZ A 1 0.635 -14.774 -0.657 1.00 0.00 N HETATM 7 C5 CFZ A 1 1.675 -14.707 -2.765 1.00 0.00 C HETATM 8 C6 CFZ A 1 1.690 -15.105 -4.054 1.00 0.00 C HETATM 9 C1' CFZ A 1 0.736 -16.309 -5.975 1.00 0.00 C HETATM 10 C2' CFZ A 1 -0.169 -15.420 -6.833 1.00 0.00 C HETATM 11 F2' CFZ A 1 -1.301 -16.208 -6.862 1.00 0.00 F HETATM 12 C3' CFZ A 1 0.673 -15.165 -8.095 1.00 0.00 C HETATM 13 O3' CFZ A 1 -0.061 -15.043 -9.317 1.00 0.00 O HETATM 14 C4' CFZ A 1 1.679 -16.314 -8.005 1.00 0.00 C HETATM 15 O4' CFZ A 1 2.001 -16.306 -6.612 1.00 0.00 O HETATM 16 C5' CFZ A 1 2.945 -16.137 -8.852 1.00 0.00 C HETATM 17 O5' CFZ A 1 3.727 -15.067 -8.358 1.00 0.00 O HETATM 0 HN4A CFZ A 1 1.361 -14.137 -0.329 1.00 0.00 H new HETATM 0 H5'A CFZ A 1 3.529 -17.057 -8.840 1.00 0.00 H new HETATM 0 HN4 CFZ A 1 -0.083 -15.104 -0.012 1.00 0.00 H new HETATM 0 H6 CFZ A 1 2.482 -14.758 -4.717 1.00 0.00 H new HETATM 0 H5' CFZ A 1 2.671 -15.946 -9.890 1.00 0.00 H new HETATM 0 H5 CFZ A 1 2.450 -14.045 -2.379 1.00 0.00 H new HETATM 0 H4' CFZ A 1 1.260 -17.243 -8.392 1.00 0.00 H new HETATM 0 H3' CFZ A 1 1.148 -14.184 -8.125 1.00 0.00 H new HETATM 0 H2' CFZ A 1 -0.492 -14.419 -6.547 1.00 0.00 H new HETATM 0 H1' CFZ A 1 0.374 -17.336 -5.924 1.00 0.00 H new HETATM 29 F GF2 A 2 -6.444 -12.979 -5.874 1.00 0.00 F HETATM 30 P GF2 A 2 -0.821 -13.662 -9.724 1.00 0.00 P HETATM 31 N1 GF2 A 2 -5.132 -13.622 -0.399 1.00 0.00 N HETATM 32 C2 GF2 A 2 -6.012 -13.997 -1.368 1.00 0.00 C HETATM 33 N2 GF2 A 2 -7.243 -14.255 -1.004 1.00 0.00 N HETATM 34 N3 GF2 A 2 -5.708 -14.101 -2.663 1.00 0.00 N HETATM 35 C4 GF2 A 2 -4.405 -13.799 -2.928 1.00 0.00 C HETATM 36 C5 GF2 A 2 -3.435 -13.421 -2.023 1.00 0.00 C HETATM 37 C6 GF2 A 2 -3.806 -13.310 -0.634 1.00 0.00 C HETATM 38 O6 GF2 A 2 -3.131 -12.997 0.343 1.00 0.00 O HETATM 39 N7 GF2 A 2 -2.222 -13.211 -2.692 1.00 0.00 N HETATM 40 C8 GF2 A 2 -2.504 -13.447 -3.945 1.00 0.00 C HETATM 41 N9 GF2 A 2 -3.810 -13.798 -4.167 1.00 0.00 N HETATM 42 C1' GF2 A 2 -4.503 -14.031 -5.456 1.00 0.00 C HETATM 43 OP2 GF2 A 2 0.031 -12.495 -9.438 1.00 0.00 O HETATM 44 C2' GF2 A 2 -5.095 -12.746 -6.020 1.00 0.00 C HETATM 45 OP1 GF2 A 2 -1.458 -13.749 -11.053 1.00 0.00 O HETATM 46 C3' GF2 A 2 -4.513 -12.639 -7.431 1.00 0.00 C HETATM 47 O3' GF2 A 2 -5.338 -11.954 -8.380 1.00 0.00 O HETATM 48 C4' GF2 A 2 -4.180 -14.107 -7.690 1.00 0.00 C HETATM 49 O4' GF2 A 2 -3.611 -14.508 -6.446 1.00 0.00 O HETATM 50 C5' GF2 A 2 -3.210 -14.333 -8.850 1.00 0.00 C HETATM 51 O5' GF2 A 2 -2.036 -13.555 -8.690 1.00 0.00 O HETATM 0 HN2A GF2 A 2 -7.932 -14.539 -1.701 1.00 0.00 H new HETATM 0 H5'A GF2 A 2 -2.946 -15.389 -8.907 1.00 0.00 H new HETATM 0 HN2 GF2 A 2 -7.513 -14.172 -0.024 1.00 0.00 H new HETATM 0 HN1 GF2 A 2 -5.473 -13.568 0.561 1.00 0.00 H new HETATM 0 H8 GF2 A 2 -1.766 -13.372 -4.744 1.00 0.00 H new HETATM 0 H5' GF2 A 2 -3.696 -14.075 -9.791 1.00 0.00 H new HETATM 0 H4' GF2 A 2 -5.057 -14.679 -7.995 1.00 0.00 H new HETATM 0 H3' GF2 A 2 -3.644 -11.989 -7.537 1.00 0.00 H new HETATM 0 H2' GF2 A 2 -4.879 -11.780 -5.563 1.00 0.00 H new HETATM 0 H1' GF2 A 2 -5.282 -14.761 -5.236 1.00 0.00 H new HETATM 62 P CFZ A 3 -5.506 -10.340 -8.339 1.00 0.00 P HETATM 63 N1 CFZ A 3 -6.770 -10.286 -2.682 1.00 0.00 N HETATM 64 C2 CFZ A 3 -6.751 -10.305 -1.284 1.00 0.00 C HETATM 65 O2 CFZ A 3 -7.791 -10.427 -0.643 1.00 0.00 O HETATM 66 N3 CFZ A 3 -5.581 -10.169 -0.609 1.00 0.00 N HETATM 67 C4 CFZ A 3 -4.457 -10.020 -1.290 1.00 0.00 C HETATM 68 N4 CFZ A 3 -3.357 -9.896 -0.584 1.00 0.00 N HETATM 69 C5 CFZ A 3 -4.417 -10.023 -2.722 1.00 0.00 C HETATM 70 C6 CFZ A 3 -5.600 -10.149 -3.379 1.00 0.00 C HETATM 71 C1' CFZ A 3 -8.080 -10.344 -3.394 1.00 0.00 C HETATM 72 O1P CFZ A 3 -6.286 -9.886 -9.507 1.00 0.00 O HETATM 73 C2' CFZ A 3 -8.652 -8.975 -3.666 1.00 0.00 C HETATM 74 F2' CFZ A 3 -9.969 -9.062 -3.288 1.00 0.00 F HETATM 75 O2P CFZ A 3 -4.143 -9.795 -8.150 1.00 0.00 O HETATM 76 C3' CFZ A 3 -8.397 -8.704 -5.158 1.00 0.00 C HETATM 77 O3' CFZ A 3 -9.285 -7.755 -5.789 1.00 0.00 O HETATM 78 C4' CFZ A 3 -8.492 -10.145 -5.667 1.00 0.00 C HETATM 79 O4' CFZ A 3 -7.905 -10.958 -4.659 1.00 0.00 O HETATM 80 C5' CFZ A 3 -7.803 -10.394 -7.018 1.00 0.00 C HETATM 81 O5' CFZ A 3 -6.420 -10.026 -7.035 1.00 0.00 O HETATM 0 HN4A CFZ A 3 -2.460 -9.778 -1.054 1.00 0.00 H new HETATM 0 H5'A CFZ A 3 -7.892 -11.450 -7.272 1.00 0.00 H new HETATM 0 HN4 CFZ A 3 -3.400 -9.917 0.435 1.00 0.00 H new HETATM 0 H6 CFZ A 3 -5.617 -10.141 -4.469 1.00 0.00 H new HETATM 0 H5' CFZ A 3 -8.328 -9.835 -7.792 1.00 0.00 H new HETATM 0 H5 CFZ A 3 -3.475 -9.928 -3.263 1.00 0.00 H new HETATM 0 H4' CFZ A 3 -9.540 -10.380 -5.851 1.00 0.00 H new HETATM 0 H3' CFZ A 3 -7.461 -8.192 -5.381 1.00 0.00 H new HETATM 0 H2' CFZ A 3 -8.215 -8.137 -3.123 1.00 0.00 H new HETATM 0 H1' CFZ A 3 -8.756 -10.902 -2.746 1.00 0.00 H new HETATM 92 F GF2 A 4 -10.970 -5.129 1.079 1.00 0.00 F HETATM 93 P GF2 A 4 -9.138 -6.151 -5.565 1.00 0.00 P HETATM 94 N1 GF2 A 4 -5.866 -6.456 3.202 1.00 0.00 N HETATM 95 C2 GF2 A 4 -7.211 -6.465 3.406 1.00 0.00 C HETATM 96 N2 GF2 A 4 -7.632 -6.368 4.644 1.00 0.00 N HETATM 97 N3 GF2 A 4 -8.123 -6.527 2.437 1.00 0.00 N HETATM 98 C4 GF2 A 4 -7.565 -6.595 1.192 1.00 0.00 C HETATM 99 C5 GF2 A 4 -6.222 -6.599 0.875 1.00 0.00 C HETATM 100 C6 GF2 A 4 -5.272 -6.509 1.953 1.00 0.00 C HETATM 101 O6 GF2 A 4 -4.044 -6.456 1.926 1.00 0.00 O HETATM 102 N7 GF2 A 4 -6.055 -6.655 -0.515 1.00 0.00 N HETATM 103 C8 GF2 A 4 -7.276 -6.652 -0.971 1.00 0.00 C HETATM 104 N9 GF2 A 4 -8.244 -6.615 -0.001 1.00 0.00 N HETATM 105 C1' GF2 A 4 -9.709 -6.493 -0.183 1.00 0.00 C HETATM 106 OP2 GF2 A 4 -7.716 -5.877 -5.872 1.00 0.00 O HETATM 107 C2' GF2 A 4 -10.166 -5.047 -0.034 1.00 0.00 C HETATM 108 OP1 GF2 A 4 -10.156 -5.422 -6.346 1.00 0.00 O HETATM 109 C3' GF2 A 4 -10.754 -4.685 -1.399 1.00 0.00 C HETATM 110 O3' GF2 A 4 -11.861 -3.778 -1.330 1.00 0.00 O HETATM 111 C4' GF2 A 4 -11.009 -6.047 -2.037 1.00 0.00 C HETATM 112 O4' GF2 A 4 -9.993 -6.880 -1.509 1.00 0.00 O HETATM 113 C5' GF2 A 4 -10.860 -6.070 -3.567 1.00 0.00 C HETATM 114 O5' GF2 A 4 -9.512 -5.863 -4.019 1.00 0.00 O HETATM 0 HN2A GF2 A 4 -8.632 -6.371 4.844 1.00 0.00 H new HETATM 0 H5'A GF2 A 4 -11.217 -7.029 -3.944 1.00 0.00 H new HETATM 0 HN2 GF2 A 4 -6.959 -6.290 5.407 1.00 0.00 H new HETATM 0 HN1 GF2 A 4 -5.258 -6.407 4.020 1.00 0.00 H new HETATM 0 H8 GF2 A 4 -7.508 -6.677 -2.036 1.00 0.00 H new HETATM 0 H5' GF2 A 4 -11.500 -5.300 -3.997 1.00 0.00 H new HETATM 0 H4' GF2 A 4 -12.034 -6.349 -1.824 1.00 0.00 H new HETATM 0 H3' GF2 A 4 -10.089 -4.090 -2.025 1.00 0.00 H new HETATM 0 H2' GF2 A 4 -9.463 -4.236 0.156 1.00 0.00 H new HETATM 0 H1' GF2 A 4 -10.214 -7.107 0.563 1.00 0.00 H new HETATM 125 F AF2 A 5 -9.186 -1.218 5.332 1.00 0.00 F HETATM 126 P AF2 A 5 -11.625 -2.187 -1.189 1.00 0.00 P HETATM 127 N1 AF2 A 5 -3.710 -3.085 4.573 1.00 0.00 N HETATM 128 C2 AF2 A 5 -4.725 -2.815 5.389 1.00 0.00 C HETATM 129 N3 AF2 A 5 -6.016 -2.727 5.078 1.00 0.00 N HETATM 130 C4 AF2 A 5 -6.238 -2.947 3.750 1.00 0.00 C HETATM 131 C5 AF2 A 5 -5.294 -3.220 2.793 1.00 0.00 C HETATM 132 C6 AF2 A 5 -3.968 -3.302 3.278 1.00 0.00 C HETATM 133 N6 AF2 A 5 -2.917 -3.607 2.529 1.00 0.00 N HETATM 134 N7 AF2 A 5 -5.880 -3.360 1.530 1.00 0.00 N HETATM 135 C8 AF2 A 5 -7.145 -3.166 1.772 1.00 0.00 C HETATM 136 N9 AF2 A 5 -7.446 -2.920 3.086 1.00 0.00 N HETATM 137 C1' AF2 A 5 -8.786 -2.651 3.658 1.00 0.00 C HETATM 138 OP2 AF2 A 5 -10.687 -1.851 -2.290 1.00 0.00 O HETATM 139 C2' AF2 A 5 -8.984 -1.172 3.966 1.00 0.00 C HETATM 140 OP1 AF2 A 5 -12.922 -1.470 -1.149 1.00 0.00 O HETATM 141 C3' AF2 A 5 -10.135 -0.726 3.059 1.00 0.00 C HETATM 142 O3' AF2 A 5 -10.914 0.333 3.625 1.00 0.00 O HETATM 143 C4' AF2 A 5 -10.834 -2.058 2.777 1.00 0.00 C HETATM 144 O4' AF2 A 5 -9.753 -2.976 2.672 1.00 0.00 O HETATM 145 C5' AF2 A 5 -11.685 -2.104 1.489 1.00 0.00 C HETATM 146 O5' AF2 A 5 -10.938 -1.943 0.269 1.00 0.00 O HETATM 0 HN6A AF2 A 5 -3.036 -3.786 1.532 1.00 0.00 H new HETATM 0 H5'A AF2 A 5 -12.213 -3.057 1.453 1.00 0.00 H new HETATM 0 HN6 AF2 A 5 -1.990 -3.663 2.950 1.00 0.00 H new HETATM 0 H8 AF2 A 5 -7.904 -3.197 0.991 1.00 0.00 H new HETATM 0 H5' AF2 A 5 -12.442 -1.321 1.542 1.00 0.00 H new HETATM 0 H4' AF2 A 5 -11.558 -2.270 3.564 1.00 0.00 H new HETATM 0 H3' AF2 A 5 -9.846 -0.238 2.128 1.00 0.00 H new HETATM 0 H2' AF2 A 5 -8.199 -0.443 3.767 1.00 0.00 H new HETATM 0 H2 AF2 A 5 -4.470 -2.646 6.435 1.00 0.00 H new HETATM 0 H1' AF2 A 5 -8.883 -3.234 4.574 1.00 0.00 H new HETATM 157 F AF2 A 6 -4.990 1.914 8.023 1.00 0.00 F HETATM 158 P AF2 A 6 -10.412 1.887 3.617 1.00 0.00 P HETATM 159 N1 AF2 A 6 -0.825 -0.242 4.882 1.00 0.00 N HETATM 160 C2 AF2 A 6 -1.368 0.056 6.058 1.00 0.00 C HETATM 161 N3 AF2 A 6 -2.647 0.305 6.323 1.00 0.00 N HETATM 162 C4 AF2 A 6 -3.426 0.230 5.211 1.00 0.00 C HETATM 163 C5 AF2 A 6 -3.012 -0.047 3.936 1.00 0.00 C HETATM 164 C6 AF2 A 6 -1.630 -0.314 3.815 1.00 0.00 C HETATM 165 N6 AF2 A 6 -1.042 -0.653 2.681 1.00 0.00 N HETATM 166 N7 AF2 A 6 -4.086 0.009 3.037 1.00 0.00 N HETATM 167 C8 AF2 A 6 -5.099 0.297 3.806 1.00 0.00 C HETATM 168 N9 AF2 A 6 -4.790 0.403 5.139 1.00 0.00 N HETATM 169 C1' AF2 A 6 -5.706 0.687 6.270 1.00 0.00 C HETATM 170 OP2 AF2 A 6 -9.980 2.213 2.242 1.00 0.00 O HETATM 171 C2' AF2 A 6 -5.508 2.104 6.759 1.00 0.00 C HETATM 172 OP1 AF2 A 6 -11.433 2.735 4.260 1.00 0.00 O HETATM 173 C3' AF2 A 6 -6.886 2.729 6.577 1.00 0.00 C HETATM 174 O3' AF2 A 6 -7.193 3.777 7.484 1.00 0.00 O HETATM 175 C4' AF2 A 6 -7.810 1.530 6.600 1.00 0.00 C HETATM 176 O4' AF2 A 6 -7.050 0.607 5.828 1.00 0.00 O HETATM 177 C5' AF2 A 6 -9.186 1.800 5.967 1.00 0.00 C HETATM 178 O5' AF2 A 6 -9.099 2.000 4.559 1.00 0.00 O HETATM 0 HN6A AF2 A 6 -1.591 -0.728 1.825 1.00 0.00 H new HETATM 0 H5'A AF2 A 6 -9.850 0.961 6.173 1.00 0.00 H new HETATM 0 HN6 AF2 A 6 -0.039 -0.839 2.662 1.00 0.00 H new HETATM 0 H8 AF2 A 6 -6.109 0.442 3.422 1.00 0.00 H new HETATM 0 H5' AF2 A 6 -9.631 2.680 6.431 1.00 0.00 H new HETATM 0 H4' AF2 A 6 -8.069 1.199 7.606 1.00 0.00 H new HETATM 0 H3' AF2 A 6 -6.979 3.287 5.646 1.00 0.00 H new HETATM 0 H2' AF2 A 6 -4.823 2.795 6.267 1.00 0.00 H new HETATM 0 H2 AF2 A 6 -0.684 0.102 6.905 1.00 0.00 H new HETATM 0 H1' AF2 A 6 -5.496 -0.036 7.058 1.00 0.00 H new HETATM 189 P TAF A 7 -6.619 5.256 7.237 1.00 0.00 P HETATM 190 OP1 TAF A 7 -7.209 6.154 8.244 1.00 0.00 O HETATM 191 OP2 TAF A 7 -6.871 5.500 5.790 1.00 0.00 O HETATM 192 O5' TAF A 7 -5.025 5.108 7.541 1.00 0.00 O HETATM 193 N1 TAF A 7 -1.005 3.556 6.292 1.00 0.00 N HETATM 194 C6 TAF A 7 -2.012 3.527 5.349 1.00 0.00 C HETATM 195 C2 TAF A 7 0.311 3.223 5.946 1.00 0.00 C HETATM 196 O2 TAF A 7 1.254 3.295 6.726 1.00 0.00 O HETATM 197 N3 TAF A 7 0.537 2.854 4.638 1.00 0.00 N HETATM 198 C4 TAF A 7 -0.400 2.872 3.626 1.00 0.00 C HETATM 199 O4 TAF A 7 -0.035 2.611 2.485 1.00 0.00 O HETATM 200 C5 TAF A 7 -1.752 3.230 4.048 1.00 0.00 C HETATM 201 C5M TAF A 7 -2.874 3.303 3.026 1.00 0.00 C HETATM 202 F2' TAF A 7 -1.921 6.129 6.430 1.00 0.00 F HETATM 203 C2' TAF A 7 -1.342 5.676 7.604 1.00 0.00 C HETATM 204 C5' TAF A 7 -4.550 4.860 8.874 1.00 0.00 C HETATM 205 C4' TAF A 7 -3.020 4.715 9.027 1.00 0.00 C HETATM 206 O4' TAF A 7 -2.501 3.706 8.165 1.00 0.00 O HETATM 207 C1' TAF A 7 -1.257 4.144 7.640 1.00 0.00 C HETATM 208 C3' TAF A 7 -2.246 6.023 8.781 1.00 0.00 C HETATM 209 O3' TAF A 7 -1.542 6.516 9.942 1.00 0.00 O HETATM 0 H5'' TAF A 7 -4.885 5.675 9.516 1.00 0.00 H new HETATM 0 H73 TAF A 7 -3.667 2.610 3.306 1.00 0.00 H new HETATM 0 H72 TAF A 7 -3.273 4.317 2.995 1.00 0.00 H new HETATM 0 H71 TAF A 7 -2.488 3.035 2.042 1.00 0.00 H new HETATM 0 H6 TAF A 7 -3.035 3.746 5.653 1.00 0.00 H new HETATM 0 H5' TAF A 7 -5.021 3.949 9.244 1.00 0.00 H new HETATM 0 H4' TAF A 7 -2.871 4.431 10.069 1.00 0.00 H new HETATM 0 H3' TAF A 7 -2.905 6.863 8.563 1.00 0.00 H new HETATM 0 H3 TAF A 7 1.477 2.541 4.397 1.00 0.00 H new HETATM 0 H2' TAF A 7 -0.354 6.134 7.658 1.00 0.00 H new HETATM 0 H1' TAF A 7 -0.417 3.819 8.253 1.00 0.00 H new HETATM 221 P UFT A 8 -0.929 8.034 10.027 1.00 0.00 P HETATM 222 OP1 UFT A 8 -0.586 8.404 11.415 1.00 0.00 O HETATM 223 OP2 UFT A 8 -1.755 8.958 9.227 1.00 0.00 O HETATM 224 O5' UFT A 8 0.472 7.973 9.267 1.00 0.00 O HETATM 225 N1 UFT A 8 2.617 6.022 5.368 1.00 0.00 N HETATM 226 C6 UFT A 8 1.324 6.273 4.952 1.00 0.00 C HETATM 227 C2 UFT A 8 3.558 5.489 4.486 1.00 0.00 C HETATM 228 O2 UFT A 8 4.715 5.235 4.804 1.00 0.00 O HETATM 229 N3 UFT A 8 3.149 5.291 3.189 1.00 0.00 N HETATM 230 C4 UFT A 8 1.916 5.601 2.674 1.00 0.00 C HETATM 231 O4 UFT A 8 1.738 5.539 1.459 1.00 0.00 O HETATM 232 C5 UFT A 8 0.961 6.076 3.656 1.00 0.00 C HETATM 233 F2' UFT A 8 4.817 7.887 6.350 1.00 0.00 F HETATM 234 C2' UFT A 8 3.480 7.961 6.654 1.00 0.00 C HETATM 235 C5' UFT A 8 1.595 7.325 9.838 1.00 0.00 C HETATM 236 C4' UFT A 8 2.671 7.140 8.768 1.00 0.00 C HETATM 237 O4' UFT A 8 2.170 6.329 7.715 1.00 0.00 O HETATM 238 C1' UFT A 8 3.119 6.481 6.688 1.00 0.00 C HETATM 239 C3' UFT A 8 3.049 8.433 8.044 1.00 0.00 C HETATM 240 O3' UFT A 8 3.939 9.318 8.713 1.00 0.00 O HETATM 0 H5'A UFT A 8 1.987 7.915 10.666 1.00 0.00 H new HETATM 0 HN3 UFT A 8 3.826 4.875 2.549 1.00 0.00 H new HETATM 0 H6 UFT A 8 0.587 6.633 5.670 1.00 0.00 H new HETATM 0 H5' UFT A 8 1.302 6.358 10.246 1.00 0.00 H new HETATM 0 H5 UFT A 8 -0.065 6.279 3.351 1.00 0.00 H new HETATM 0 H4' UFT A 8 3.521 6.725 9.309 1.00 0.00 H new HETATM 0 H3' UFT A 8 2.201 9.116 7.999 1.00 0.00 H new HETATM 0 H2' UFT A 8 3.032 8.667 5.955 1.00 0.00 H new HETATM 0 H1' UFT A 8 3.990 5.859 6.891 1.00 0.00 H new HETATM 250 P CFL A 9 4.151 10.837 8.214 1.00 0.00 P HETATM 251 O1P CFL A 9 4.794 11.586 9.309 1.00 0.00 O HETATM 252 O2P CFL A 9 2.822 11.290 7.724 1.00 0.00 O HETATM 253 O5' CFL A 9 5.208 10.759 6.976 1.00 0.00 O HETATM 254 C5' CFL A 9 6.565 10.331 7.188 1.00 0.00 C HETATM 255 C4' CFL A 9 7.478 10.328 5.937 1.00 0.00 C HETATM 256 O4' CFL A 9 7.074 9.336 5.000 1.00 0.00 O HETATM 257 C3' CFL A 9 7.521 11.686 5.215 1.00 0.00 C HETATM 258 O3' CFL A 9 8.815 12.333 5.121 1.00 0.00 O HETATM 259 C2' CFL A 9 6.837 11.393 3.878 1.00 0.00 C HETATM 260 C1' CFL A 9 7.062 9.893 3.694 1.00 0.00 C HETATM 261 N1 CFL A 9 6.059 9.188 2.836 1.00 0.00 N HETATM 262 C2 CFL A 9 6.444 8.693 1.583 1.00 0.00 C HETATM 263 O2 CFL A 9 7.605 8.770 1.192 1.00 0.00 O HETATM 264 N3 CFL A 9 5.528 8.120 0.758 1.00 0.00 N HETATM 265 C4 CFL A 9 4.275 8.010 1.164 1.00 0.00 C HETATM 266 N4 CFL A 9 3.439 7.428 0.333 1.00 0.00 N HETATM 267 C5 CFL A 9 3.841 8.433 2.461 1.00 0.00 C HETATM 268 C6 CFL A 9 4.766 9.020 3.265 1.00 0.00 C HETATM 269 F CFL A 9 5.492 11.662 3.980 1.00 0.00 F HETATM 0 HN42 CFL A 9 2.459 7.315 0.592 1.00 0.00 H new HETATM 0 HN41 CFL A 9 3.771 7.090 -0.570 1.00 0.00 H new HETATM 0 H5'2 CFL A 9 7.016 10.977 7.941 1.00 0.00 H new HETATM 0 H5'1 CFL A 9 6.547 9.323 7.603 1.00 0.00 H new HETATM 0 H6 CFL A 9 4.479 9.361 4.260 1.00 0.00 H new HETATM 0 H5 CFL A 9 2.812 8.290 2.790 1.00 0.00 H new HETATM 0 H4' CFL A 9 8.476 10.107 6.315 1.00 0.00 H new HETATM 0 H3' CFL A 9 7.009 12.457 5.791 1.00 0.00 H new HETATM 0 H2' CFL A 9 7.221 11.988 3.050 1.00 0.00 H new HETATM 0 H1' CFL A 9 7.999 9.756 3.154 1.00 0.00 H new HETATM 280 F GF2 A 10 8.708 13.209 -2.208 1.00 0.00 F HETATM 281 P GF2 A 10 8.957 13.864 4.562 1.00 0.00 P HETATM 282 N1 GF2 A 10 5.447 9.624 -4.101 1.00 0.00 N HETATM 283 C2 GF2 A 10 6.753 10.011 -4.058 1.00 0.00 C HETATM 284 N2 GF2 A 10 7.476 9.916 -5.144 1.00 0.00 N HETATM 285 N3 GF2 A 10 7.337 10.553 -2.998 1.00 0.00 N HETATM 286 C4 GF2 A 10 6.478 10.760 -1.964 1.00 0.00 C HETATM 287 C5 GF2 A 10 5.139 10.441 -1.906 1.00 0.00 C HETATM 288 C6 GF2 A 10 4.553 9.784 -3.051 1.00 0.00 C HETATM 289 O6 GF2 A 10 3.395 9.393 -3.228 1.00 0.00 O HETATM 290 N7 GF2 A 10 4.598 10.900 -0.693 1.00 0.00 N HETATM 291 C8 GF2 A 10 5.619 11.456 -0.086 1.00 0.00 C HETATM 292 N9 GF2 A 10 6.794 11.398 -0.794 1.00 0.00 N HETATM 293 C1' GF2 A 10 8.141 11.931 -0.491 1.00 0.00 C HETATM 294 OP2 GF2 A 10 7.693 14.564 4.890 1.00 0.00 O HETATM 295 C2' GF2 A 10 8.351 13.383 -0.892 1.00 0.00 C HETATM 296 OP1 GF2 A 10 10.256 14.506 4.871 1.00 0.00 O HETATM 297 C3' GF2 A 10 9.435 13.832 0.084 1.00 0.00 C HETATM 298 O3' GF2 A 10 10.557 14.461 -0.528 1.00 0.00 O HETATM 299 C4' GF2 A 10 9.721 12.586 0.924 1.00 0.00 C HETATM 300 O4' GF2 A 10 8.512 11.838 0.862 1.00 0.00 O HETATM 301 C5' GF2 A 10 10.066 12.917 2.378 1.00 0.00 C HETATM 302 O5' GF2 A 10 9.013 13.661 2.982 1.00 0.00 O HETATM 0 HN2A GF2 A 10 8.455 10.201 -5.131 1.00 0.00 H new HETATM 0 H5'A GF2 A 10 10.236 11.997 2.936 1.00 0.00 H new HETATM 0 HN2 GF2 A 10 7.060 9.557 -6.004 1.00 0.00 H new HETATM 0 HN1 GF2 A 10 5.105 9.190 -4.958 1.00 0.00 H new HETATM 0 H8 GF2 A 10 5.541 11.924 0.896 1.00 0.00 H new HETATM 0 H5' GF2 A 10 10.993 13.489 2.417 1.00 0.00 H new HETATM 0 H4' GF2 A 10 10.588 12.046 0.542 1.00 0.00 H new HETATM 0 H3' GF2 A 10 9.110 14.653 0.724 1.00 0.00 H new HETATM 0 H2' GF2 A 10 7.560 14.131 -0.840 1.00 0.00 H new HETATM 0 H1' GF2 A 10 8.768 11.279 -1.100 1.00 0.00 H new HETATM 313 P CFL A 11 10.461 15.947 -1.165 1.00 0.00 P HETATM 314 O1P CFL A 11 11.845 16.446 -1.294 1.00 0.00 O HETATM 315 O2P CFL A 11 9.508 16.684 -0.304 1.00 0.00 O HETATM 316 O5' CFL A 11 9.835 15.777 -2.660 1.00 0.00 O HETATM 317 C5' CFL A 11 10.619 15.285 -3.752 1.00 0.00 C HETATM 318 C4' CFL A 11 9.903 15.075 -5.111 1.00 0.00 C HETATM 319 O4' CFL A 11 8.905 14.064 -5.031 1.00 0.00 O HETATM 320 C3' CFL A 11 9.213 16.281 -5.777 1.00 0.00 C HETATM 321 O3' CFL A 11 9.411 16.214 -7.211 1.00 0.00 O HETATM 322 C2' CFL A 11 7.758 16.117 -5.394 1.00 0.00 C HETATM 323 C1' CFL A 11 7.708 14.600 -5.579 1.00 0.00 C HETATM 324 N1 CFL A 11 6.516 13.959 -4.985 1.00 0.00 N HETATM 325 C2 CFL A 11 5.643 13.263 -5.818 1.00 0.00 C HETATM 326 O2 CFL A 11 5.874 13.113 -7.014 1.00 0.00 O HETATM 327 N3 CFL A 11 4.489 12.757 -5.325 1.00 0.00 N HETATM 328 C4 CFL A 11 4.216 12.915 -4.043 1.00 0.00 C HETATM 329 N4 CFL A 11 3.082 12.399 -3.650 1.00 0.00 N HETATM 330 C5 CFL A 11 5.102 13.570 -3.131 1.00 0.00 C HETATM 331 C6 CFL A 11 6.242 14.095 -3.653 1.00 0.00 C HETATM 332 F CFL A 11 7.475 16.560 -4.118 1.00 0.00 F HETATM 0 HN42 CFL A 11 2.797 12.478 -2.674 1.00 0.00 H new HETATM 0 HN41 CFL A 11 2.482 11.917 -4.319 1.00 0.00 H new HETATM 0 H5'2 CFL A 11 11.446 15.977 -3.911 1.00 0.00 H new HETATM 0 H5'1 CFL A 11 11.055 14.332 -3.451 1.00 0.00 H new HETATM 0 H6 CFL A 11 6.940 14.627 -3.007 1.00 0.00 H new HETATM 0 H5 CFL A 11 4.874 13.645 -2.068 1.00 0.00 H new HETATM 0 H4' CFL A 11 10.759 14.816 -5.734 1.00 0.00 H new HETATM 0 H3' CFL A 11 9.602 17.249 -5.463 1.00 0.00 H new HETATM 0 H2' CFL A 11 7.020 16.691 -5.955 1.00 0.00 H new HETATM 0 H1' CFL A 11 7.628 14.387 -6.645 1.00 0.00 H new HETATM 343 F GF2 A 12 3.300 19.006 -7.643 1.00 0.00 F HETATM 344 P GF2 A 12 8.750 17.251 -8.283 1.00 0.00 P HETATM 345 N1 GF2 A 12 -0.327 13.661 -6.726 1.00 0.00 N HETATM 346 C2 GF2 A 12 0.145 14.162 -7.888 1.00 0.00 C HETATM 347 N2 GF2 A 12 -0.338 13.622 -8.967 1.00 0.00 N HETATM 348 N3 GF2 A 12 1.167 14.983 -8.008 1.00 0.00 N HETATM 349 C4 GF2 A 12 1.741 15.275 -6.805 1.00 0.00 C HETATM 350 C5 GF2 A 12 1.350 14.850 -5.557 1.00 0.00 C HETATM 351 C6 GF2 A 12 0.203 13.970 -5.482 1.00 0.00 C HETATM 352 O6 GF2 A 12 -0.364 13.457 -4.519 1.00 0.00 O HETATM 353 N7 GF2 A 12 2.207 15.409 -4.597 1.00 0.00 N HETATM 354 C8 GF2 A 12 3.090 16.085 -5.294 1.00 0.00 C HETATM 355 N9 GF2 A 12 2.875 16.027 -6.655 1.00 0.00 N HETATM 356 C1' GF2 A 12 3.550 16.584 -7.852 1.00 0.00 C HETATM 357 OP2 GF2 A 12 8.790 18.594 -7.667 1.00 0.00 O HETATM 358 C2' GF2 A 12 4.180 17.969 -7.895 1.00 0.00 C HETATM 359 OP1 GF2 A 12 9.384 17.010 -9.596 1.00 0.00 O HETATM 360 C3' GF2 A 12 4.557 17.872 -9.387 1.00 0.00 C HETATM 361 O3' GF2 A 12 3.356 17.947 -10.140 1.00 0.00 O HETATM 362 C4' GF2 A 12 5.074 16.419 -9.525 1.00 0.00 C HETATM 363 O4' GF2 A 12 4.526 15.723 -8.410 1.00 0.00 O HETATM 364 C5' GF2 A 12 6.606 16.277 -9.558 1.00 0.00 C HETATM 365 O5' GF2 A 12 7.196 16.802 -8.378 1.00 0.00 O HETATM 0 HO3' GF2 A 12 2.663 18.391 -9.608 1.00 0.00 H new HETATM 0 HN2A GF2 A 12 -0.029 13.948 -9.883 1.00 0.00 H new HETATM 0 H5'A GF2 A 12 6.874 15.226 -9.665 1.00 0.00 H new HETATM 0 HN2 GF2 A 12 -1.026 12.872 -8.898 1.00 0.00 H new HETATM 0 HN1 GF2 A 12 -1.118 13.019 -6.765 1.00 0.00 H new HETATM 0 H8 GF2 A 12 3.913 16.638 -4.841 1.00 0.00 H new HETATM 0 H5' GF2 A 12 7.003 16.798 -10.429 1.00 0.00 H new HETATM 0 H4' GF2 A 12 4.761 16.015 -10.488 1.00 0.00 H new HETATM 0 H3' GF2 A 12 5.262 18.638 -9.711 1.00 0.00 H new HETATM 0 H2' GF2 A 12 4.959 18.185 -7.163 1.00 0.00 H new HETATM 0 H1' GF2 A 12 2.617 16.690 -8.406 1.00 0.00 H new TER 377 GF2 A 12 HETATM 378 N1 CFZ B 13 -4.041 10.551 -8.843 1.00 0.00 N HETATM 379 C2 CFZ B 13 -2.998 11.498 -8.834 1.00 0.00 C HETATM 380 O2 CFZ B 13 -2.589 11.967 -9.903 1.00 0.00 O HETATM 381 N3 CFZ B 13 -2.463 11.876 -7.613 1.00 0.00 N HETATM 382 C4 CFZ B 13 -2.951 11.347 -6.476 1.00 0.00 C HETATM 383 N4 CFZ B 13 -2.477 11.720 -5.302 1.00 0.00 N HETATM 384 C5 CFZ B 13 -4.018 10.402 -6.487 1.00 0.00 C HETATM 385 C6 CFZ B 13 -4.520 10.020 -7.679 1.00 0.00 C HETATM 386 C1' CFZ B 13 -4.654 10.145 -10.134 1.00 0.00 C HETATM 387 C2' CFZ B 13 -3.797 9.131 -10.893 1.00 0.00 C HETATM 388 F2' CFZ B 13 -3.170 9.970 -11.793 1.00 0.00 F HETATM 389 C3' CFZ B 13 -4.835 8.097 -11.335 1.00 0.00 C HETATM 390 O3' CFZ B 13 -4.562 7.463 -12.571 1.00 0.00 O HETATM 391 C4' CFZ B 13 -6.134 8.888 -11.263 1.00 0.00 C HETATM 392 O4' CFZ B 13 -5.954 9.583 -10.031 1.00 0.00 O HETATM 393 C5' CFZ B 13 -7.400 8.025 -11.228 1.00 0.00 C HETATM 394 O5' CFZ B 13 -7.483 7.306 -10.012 1.00 0.00 O HETATM 0 HN4A CFZ B 13 -2.855 11.312 -4.447 1.00 0.00 H new HETATM 0 H5'A CFZ B 13 -8.280 8.657 -11.343 1.00 0.00 H new HETATM 0 HN4 CFZ B 13 -1.733 12.416 -5.250 1.00 0.00 H new HETATM 0 H6 CFZ B 13 -5.318 9.278 -7.714 1.00 0.00 H new HETATM 0 H5' CFZ B 13 -7.395 7.330 -12.067 1.00 0.00 H new HETATM 0 H5 CFZ B 13 -4.418 9.999 -5.557 1.00 0.00 H new HETATM 0 H4' CFZ B 13 -6.295 9.512 -12.142 1.00 0.00 H new HETATM 0 H3' CFZ B 13 -4.856 7.212 -10.699 1.00 0.00 H new HETATM 0 H2' CFZ B 13 -3.005 8.531 -10.445 1.00 0.00 H new HETATM 0 H1' CFZ B 13 -4.723 11.091 -10.670 1.00 0.00 H new HETATM 406 F GF2 B 14 2.830 8.852 -12.419 1.00 0.00 F HETATM 407 P GF2 B 14 -3.525 6.227 -12.649 1.00 0.00 P HETATM 408 N1 GF2 B 14 2.978 11.766 -7.522 1.00 0.00 N HETATM 409 C2 GF2 B 14 3.314 11.796 -8.843 1.00 0.00 C HETATM 410 N2 GF2 B 14 4.424 12.402 -9.178 1.00 0.00 N HETATM 411 N3 GF2 B 14 2.630 11.184 -9.807 1.00 0.00 N HETATM 412 C4 GF2 B 14 1.561 10.488 -9.332 1.00 0.00 C HETATM 413 C5 GF2 B 14 1.130 10.399 -8.025 1.00 0.00 C HETATM 414 C6 GF2 B 14 1.874 11.106 -7.014 1.00 0.00 C HETATM 415 O6 GF2 B 14 1.672 11.196 -5.804 1.00 0.00 O HETATM 416 N7 GF2 B 14 0.003 9.571 -7.955 1.00 0.00 N HETATM 417 C8 GF2 B 14 -0.178 9.178 -9.187 1.00 0.00 C HETATM 418 N9 GF2 B 14 0.719 9.706 -10.082 1.00 0.00 N HETATM 419 C1' GF2 B 14 0.850 9.458 -11.537 1.00 0.00 C HETATM 420 OP2 GF2 B 14 -3.720 5.397 -11.440 1.00 0.00 O HETATM 421 C2' GF2 B 14 1.733 8.253 -11.835 1.00 0.00 C HETATM 422 OP1 GF2 B 14 -3.620 5.627 -13.996 1.00 0.00 O HETATM 423 C3' GF2 B 14 0.853 7.315 -12.661 1.00 0.00 C HETATM 424 O3' GF2 B 14 1.572 6.507 -13.602 1.00 0.00 O HETATM 425 C4' GF2 B 14 -0.191 8.298 -13.196 1.00 0.00 C HETATM 426 O4' GF2 B 14 -0.415 9.174 -12.093 1.00 0.00 O HETATM 427 C5' GF2 B 14 -1.511 7.639 -13.610 1.00 0.00 C HETATM 428 O5' GF2 B 14 -2.104 6.967 -12.512 1.00 0.00 O HETATM 0 HN2A GF2 B 14 4.707 12.444 -10.157 1.00 0.00 H new HETATM 0 H5'A GF2 B 14 -2.196 8.396 -13.992 1.00 0.00 H new HETATM 0 HN2 GF2 B 14 5.007 12.833 -8.460 1.00 0.00 H new HETATM 0 HN1 GF2 B 14 3.580 12.263 -6.866 1.00 0.00 H new HETATM 0 H8 GF2 B 14 -0.972 8.491 -9.479 1.00 0.00 H new HETATM 0 H5' GF2 B 14 -1.332 6.933 -14.421 1.00 0.00 H new HETATM 0 H4' GF2 B 14 0.167 8.785 -14.103 1.00 0.00 H new HETATM 0 H3' GF2 B 14 0.386 6.498 -12.111 1.00 0.00 H new HETATM 0 H2' GF2 B 14 2.108 7.616 -11.034 1.00 0.00 H new HETATM 0 H1' GF2 B 14 1.292 10.358 -11.965 1.00 0.00 H new HETATM 439 P CFZ B 15 2.445 5.211 -13.134 1.00 0.00 P HETATM 440 N1 CFZ B 15 4.924 7.981 -8.794 1.00 0.00 N HETATM 441 C2 CFZ B 15 5.256 8.667 -7.625 1.00 0.00 C HETATM 442 O2 CFZ B 15 6.345 9.219 -7.505 1.00 0.00 O HETATM 443 N3 CFZ B 15 4.390 8.708 -6.583 1.00 0.00 N HETATM 444 C4 CFZ B 15 3.242 8.057 -6.678 1.00 0.00 C HETATM 445 N4 CFZ B 15 2.441 8.142 -5.644 1.00 0.00 N HETATM 446 C5 CFZ B 15 2.859 7.324 -7.848 1.00 0.00 C HETATM 447 C6 CFZ B 15 3.740 7.300 -8.881 1.00 0.00 C HETATM 448 C1' CFZ B 15 5.922 7.908 -9.895 1.00 0.00 C HETATM 449 O1P CFZ B 15 3.024 4.503 -14.295 1.00 0.00 O HETATM 450 C2' CFZ B 15 6.742 6.645 -9.806 1.00 0.00 C HETATM 451 F2' CFZ B 15 8.045 7.084 -9.763 1.00 0.00 F HETATM 452 O2P CFZ B 15 1.703 4.422 -12.136 1.00 0.00 O HETATM 453 C3' CFZ B 15 6.288 5.815 -11.009 1.00 0.00 C HETATM 454 O3' CFZ B 15 7.286 4.952 -11.541 1.00 0.00 O HETATM 455 C4' CFZ B 15 5.810 6.903 -11.960 1.00 0.00 C HETATM 456 O4' CFZ B 15 5.216 7.885 -11.124 1.00 0.00 O HETATM 457 C5' CFZ B 15 4.803 6.389 -12.992 1.00 0.00 C HETATM 458 O5' CFZ B 15 3.692 5.808 -12.329 1.00 0.00 O HETATM 0 HN4A CFZ B 15 1.541 7.662 -5.655 1.00 0.00 H new HETATM 0 H5'A CFZ B 15 4.470 7.209 -13.629 1.00 0.00 H new HETATM 0 HN4 CFZ B 15 2.718 8.688 -4.828 1.00 0.00 H new HETATM 0 H6 CFZ B 15 3.503 6.736 -9.783 1.00 0.00 H new HETATM 0 H5' CFZ B 15 5.277 5.653 -13.641 1.00 0.00 H new HETATM 0 H5 CFZ B 15 1.901 6.807 -7.906 1.00 0.00 H new HETATM 0 H4' CFZ B 15 6.640 7.294 -12.548 1.00 0.00 H new HETATM 0 H3' CFZ B 15 5.517 5.082 -10.769 1.00 0.00 H new HETATM 0 H2' CFZ B 15 6.628 5.992 -8.941 1.00 0.00 H new HETATM 0 H1' CFZ B 15 6.589 8.767 -9.822 1.00 0.00 H new HETATM 469 F GF2 B 16 10.624 5.088 -4.762 1.00 0.00 F HETATM 470 P GF2 B 16 7.555 3.498 -10.908 1.00 0.00 P HETATM 471 N1 GF2 B 16 6.413 7.116 -1.759 1.00 0.00 N HETATM 472 C2 GF2 B 16 7.738 7.197 -2.052 1.00 0.00 C HETATM 473 N2 GF2 B 16 8.545 7.625 -1.112 1.00 0.00 N HETATM 474 N3 GF2 B 16 8.272 6.870 -3.224 1.00 0.00 N HETATM 475 C4 GF2 B 16 7.342 6.458 -4.133 1.00 0.00 C HETATM 476 C5 GF2 B 16 5.981 6.331 -3.944 1.00 0.00 C HETATM 477 C6 GF2 B 16 5.450 6.659 -2.642 1.00 0.00 C HETATM 478 O6 GF2 B 16 4.299 6.606 -2.205 1.00 0.00 O HETATM 479 N7 GF2 B 16 5.380 5.886 -5.130 1.00 0.00 N HETATM 480 C8 GF2 B 16 6.381 5.752 -5.960 1.00 0.00 C HETATM 481 N9 GF2 B 16 7.601 6.056 -5.420 1.00 0.00 N HETATM 482 C1' GF2 B 16 8.942 5.873 -6.021 1.00 0.00 C HETATM 483 OP2 GF2 B 16 6.209 2.869 -10.809 1.00 0.00 O HETATM 484 C2' GF2 B 16 9.591 4.587 -5.524 1.00 0.00 C HETATM 485 OP1 GF2 B 16 8.604 2.844 -11.713 1.00 0.00 O HETATM 486 C3' GF2 B 16 9.881 3.782 -6.797 1.00 0.00 C HETATM 487 O3' GF2 B 16 11.067 2.990 -6.721 1.00 0.00 O HETATM 488 C4' GF2 B 16 9.835 4.862 -7.877 1.00 0.00 C HETATM 489 O4' GF2 B 16 8.809 5.733 -7.421 1.00 0.00 O HETATM 490 C5' GF2 B 16 9.498 4.353 -9.293 1.00 0.00 C HETATM 491 O5' GF2 B 16 8.163 3.843 -9.438 1.00 0.00 O HETATM 0 HN2A GF2 B 16 9.546 7.699 -1.294 1.00 0.00 H new HETATM 0 H5'A GF2 B 16 9.642 5.168 -10.003 1.00 0.00 H new HETATM 0 HN2 GF2 B 16 8.172 7.884 -0.198 1.00 0.00 H new HETATM 0 HN1 GF2 B 16 6.110 7.410 -0.831 1.00 0.00 H new HETATM 0 H8 GF2 B 16 6.255 5.426 -6.993 1.00 0.00 H new HETATM 0 H5' GF2 B 16 10.205 3.568 -9.562 1.00 0.00 H new HETATM 0 H4' GF2 B 16 10.817 5.319 -7.995 1.00 0.00 H new HETATM 0 H3' GF2 B 16 9.164 2.988 -7.004 1.00 0.00 H new HETATM 0 H2' GF2 B 16 9.056 3.875 -4.895 1.00 0.00 H new HETATM 0 H1' GF2 B 16 9.547 6.737 -5.748 1.00 0.00 H new HETATM 502 F AF2 B 17 10.848 2.838 0.889 1.00 0.00 F HETATM 503 P AF2 B 17 11.146 1.616 -5.860 1.00 0.00 P HETATM 504 N1 AF2 B 17 5.261 4.642 1.418 1.00 0.00 N HETATM 505 C2 AF2 B 17 6.509 4.680 1.873 1.00 0.00 C HETATM 506 N3 AF2 B 17 7.630 4.414 1.206 1.00 0.00 N HETATM 507 C4 AF2 B 17 7.387 4.076 -0.092 1.00 0.00 C HETATM 508 C5 AF2 B 17 6.159 3.988 -0.697 1.00 0.00 C HETATM 509 C6 AF2 B 17 5.063 4.300 0.142 1.00 0.00 C HETATM 510 N6 AF2 B 17 3.794 4.317 -0.242 1.00 0.00 N HETATM 511 N7 AF2 B 17 6.289 3.612 -2.038 1.00 0.00 N HETATM 512 C8 AF2 B 17 7.579 3.489 -2.192 1.00 0.00 C HETATM 513 N9 AF2 B 17 8.314 3.748 -1.061 1.00 0.00 N HETATM 514 C1' AF2 B 17 9.791 3.682 -0.909 1.00 0.00 C HETATM 515 OP2 AF2 B 17 9.976 0.751 -6.110 1.00 0.00 O HETATM 516 C2' AF2 B 17 10.255 2.376 -0.270 1.00 0.00 C HETATM 517 OP1 AF2 B 17 12.472 0.985 -5.976 1.00 0.00 O HETATM 518 C3' AF2 B 17 11.136 1.708 -1.330 1.00 0.00 C HETATM 519 O3' AF2 B 17 12.160 0.851 -0.813 1.00 0.00 O HETATM 520 C4' AF2 B 17 11.569 2.922 -2.149 1.00 0.00 C HETATM 521 O4' AF2 B 17 10.377 3.698 -2.198 1.00 0.00 O HETATM 522 C5' AF2 B 17 12.037 2.579 -3.569 1.00 0.00 C HETATM 523 O5' AF2 B 17 10.985 1.983 -4.311 1.00 0.00 O HETATM 0 HN6A AF2 B 17 3.548 4.070 -1.200 1.00 0.00 H new HETATM 0 H5'A AF2 B 17 12.378 3.483 -4.073 1.00 0.00 H new HETATM 0 HN6 AF2 B 17 3.064 4.577 0.421 1.00 0.00 H new HETATM 0 H8 AF2 B 17 8.036 3.204 -3.140 1.00 0.00 H new HETATM 0 H5' AF2 B 17 12.888 1.899 -3.523 1.00 0.00 H new HETATM 0 H4' AF2 B 17 12.429 3.421 -1.702 1.00 0.00 H new HETATM 0 H3' AF2 B 17 10.634 0.959 -1.942 1.00 0.00 H new HETATM 0 H2' AF2 B 17 9.538 1.604 0.008 1.00 0.00 H new HETATM 0 H2 AF2 B 17 6.629 4.963 2.919 1.00 0.00 H new HETATM 0 H1' AF2 B 17 10.082 4.525 -0.283 1.00 0.00 H new HETATM 534 F AF2 B 18 8.398 0.595 5.513 1.00 0.00 F HETATM 535 P AF2 B 18 11.855 -0.696 -0.411 1.00 0.00 P HETATM 536 N1 AF2 B 18 3.220 2.153 3.831 1.00 0.00 N HETATM 537 C2 AF2 B 18 4.211 2.142 4.722 1.00 0.00 C HETATM 538 N3 AF2 B 18 5.496 1.885 4.506 1.00 0.00 N HETATM 539 C4 AF2 B 18 5.748 1.591 3.203 1.00 0.00 C HETATM 540 C5 AF2 B 18 4.844 1.541 2.181 1.00 0.00 C HETATM 541 C6 AF2 B 18 3.523 1.875 2.555 1.00 0.00 C HETATM 542 N6 AF2 B 18 2.517 1.919 1.700 1.00 0.00 N HETATM 543 N7 AF2 B 18 5.458 1.163 0.981 1.00 0.00 N HETATM 544 C8 AF2 B 18 6.706 1.008 1.325 1.00 0.00 C HETATM 545 N9 AF2 B 18 6.964 1.270 2.648 1.00 0.00 N HETATM 546 C1' AF2 B 18 8.256 1.221 3.362 1.00 0.00 C HETATM 547 OP2 AF2 B 18 11.055 -1.283 -1.514 1.00 0.00 O HETATM 548 C2' AF2 B 18 8.358 0.006 4.266 1.00 0.00 C HETATM 549 OP1 AF2 B 18 13.101 -1.366 0.015 1.00 0.00 O HETATM 550 C3' AF2 B 18 9.595 -0.717 3.746 1.00 0.00 C HETATM 551 O3' AF2 B 18 10.280 -1.475 4.733 1.00 0.00 O HETATM 552 C4' AF2 B 18 10.369 0.414 3.102 1.00 0.00 C HETATM 553 O4' AF2 B 18 9.314 1.089 2.434 1.00 0.00 O HETATM 554 C5' AF2 B 18 11.464 -0.024 2.117 1.00 0.00 C HETATM 555 O5' AF2 B 18 10.943 -0.625 0.930 1.00 0.00 O HETATM 0 HN6A AF2 B 18 2.677 1.718 0.713 1.00 0.00 H new HETATM 0 H5'A AF2 B 18 12.066 0.842 1.844 1.00 0.00 H new HETATM 0 HN6 AF2 B 18 1.580 2.154 2.027 1.00 0.00 H new HETATM 0 H8 AF2 B 18 7.479 0.697 0.622 1.00 0.00 H new HETATM 0 H5' AF2 B 18 12.129 -0.731 2.613 1.00 0.00 H new HETATM 0 H4' AF2 B 18 10.939 0.999 3.824 1.00 0.00 H new HETATM 0 H3' AF2 B 18 9.384 -1.517 3.036 1.00 0.00 H new HETATM 0 H2' AF2 B 18 7.577 -0.754 4.299 1.00 0.00 H new HETATM 0 H2 AF2 B 18 3.934 2.371 5.751 1.00 0.00 H new HETATM 0 H1' AF2 B 18 8.319 2.141 3.944 1.00 0.00 H new HETATM 566 P TAF B 19 9.698 -2.897 5.207 1.00 0.00 P HETATM 567 OP1 TAF B 19 10.663 -3.485 6.151 1.00 0.00 O HETATM 568 OP2 TAF B 19 9.437 -3.577 3.908 1.00 0.00 O HETATM 569 O5' TAF B 19 8.317 -2.541 6.017 1.00 0.00 O HETATM 570 N1 TAF B 19 4.080 -0.919 5.791 1.00 0.00 N HETATM 571 C6 TAF B 19 4.622 -1.423 4.628 1.00 0.00 C HETATM 572 C2 TAF B 19 2.725 -0.573 5.863 1.00 0.00 C HETATM 573 O2 TAF B 19 2.183 -0.170 6.887 1.00 0.00 O HETATM 574 N3 TAF B 19 1.987 -0.720 4.712 1.00 0.00 N HETATM 575 C4 TAF B 19 2.456 -1.193 3.505 1.00 0.00 C HETATM 576 O4 TAF B 19 1.672 -1.264 2.563 1.00 0.00 O HETATM 577 C5 TAF B 19 3.869 -1.569 3.504 1.00 0.00 C HETATM 578 C5M TAF B 19 4.499 -2.149 2.250 1.00 0.00 C HETATM 579 F2' TAF B 19 4.572 -3.285 6.895 1.00 0.00 F HETATM 580 C2' TAF B 19 4.767 -2.239 7.788 1.00 0.00 C HETATM 581 C5' TAF B 19 8.357 -1.866 7.290 1.00 0.00 C HETATM 582 C4' TAF B 19 7.010 -1.344 7.856 1.00 0.00 C HETATM 583 O4' TAF B 19 6.255 -0.697 6.833 1.00 0.00 O HETATM 584 C1' TAF B 19 4.872 -0.905 7.055 1.00 0.00 C HETATM 585 C3' TAF B 19 6.109 -2.410 8.514 1.00 0.00 C HETATM 586 O3' TAF B 19 5.997 -2.315 9.958 1.00 0.00 O HETATM 0 H5'' TAF B 19 8.789 -2.549 8.021 1.00 0.00 H new HETATM 0 H73 TAF B 19 5.330 -1.518 1.935 1.00 0.00 H new HETATM 0 H72 TAF B 19 4.866 -3.154 2.458 1.00 0.00 H new HETATM 0 H71 TAF B 19 3.754 -2.192 1.455 1.00 0.00 H new HETATM 0 H6 TAF B 19 5.673 -1.710 4.608 1.00 0.00 H new HETATM 0 H5' TAF B 19 9.038 -1.019 7.203 1.00 0.00 H new HETATM 0 H4' TAF B 19 7.305 -0.653 8.646 1.00 0.00 H new HETATM 0 H3' TAF B 19 6.532 -3.409 8.404 1.00 0.00 H new HETATM 0 H3 TAF B 19 1.003 -0.455 4.755 1.00 0.00 H new HETATM 0 H2' TAF B 19 3.920 -2.249 8.474 1.00 0.00 H new HETATM 0 H1' TAF B 19 4.453 -0.085 7.638 1.00 0.00 H new HETATM 598 P UFT B 20 5.450 -3.568 10.868 1.00 0.00 P HETATM 599 OP1 UFT B 20 5.595 -3.346 12.323 1.00 0.00 O HETATM 600 OP2 UFT B 20 5.942 -4.835 10.307 1.00 0.00 O HETATM 601 O5' UFT B 20 3.859 -3.589 10.692 1.00 0.00 O HETATM 602 N1 UFT B 20 0.268 -3.189 7.449 1.00 0.00 N HETATM 603 C6 UFT B 20 1.325 -3.716 6.736 1.00 0.00 C HETATM 604 C2 UFT B 20 -0.978 -3.020 6.843 1.00 0.00 C HETATM 605 O2 UFT B 20 -1.972 -2.620 7.438 1.00 0.00 O HETATM 606 N3 UFT B 20 -1.071 -3.340 5.511 1.00 0.00 N HETATM 607 C4 UFT B 20 -0.068 -3.841 4.723 1.00 0.00 C HETATM 608 O4 UFT B 20 -0.309 -4.118 3.554 1.00 0.00 O HETATM 609 C5 UFT B 20 1.191 -4.030 5.418 1.00 0.00 C HETATM 610 F2' UFT B 20 -1.361 -3.752 10.006 1.00 0.00 F HETATM 611 C2' UFT B 20 -0.044 -4.049 9.772 1.00 0.00 C HETATM 612 C5' UFT B 20 3.052 -2.570 11.268 1.00 0.00 C HETATM 613 C4' UFT B 20 1.626 -2.656 10.730 1.00 0.00 C HETATM 614 O4' UFT B 20 1.666 -2.544 9.313 1.00 0.00 O HETATM 615 C1' UFT B 20 0.364 -2.862 8.898 1.00 0.00 C HETATM 616 C3' UFT B 20 0.928 -4.003 10.957 1.00 0.00 C HETATM 617 O3' UFT B 20 0.360 -4.277 12.247 1.00 0.00 O HETATM 0 H5'A UFT B 20 3.045 -2.672 12.353 1.00 0.00 H new HETATM 0 HN3 UFT B 20 -1.976 -3.190 5.064 1.00 0.00 H new HETATM 0 H6 UFT B 20 2.280 -3.883 7.234 1.00 0.00 H new HETATM 0 H5' UFT B 20 3.475 -1.591 11.042 1.00 0.00 H new HETATM 0 H5 UFT B 20 2.046 -4.431 4.875 1.00 0.00 H new HETATM 0 H4' UFT B 20 1.088 -1.868 11.256 1.00 0.00 H new HETATM 0 H3' UFT B 20 1.645 -4.823 10.985 1.00 0.00 H new HETATM 0 H2' UFT B 20 0.016 -5.072 9.400 1.00 0.00 H new HETATM 0 H1' UFT B 20 -0.300 -2.006 9.016 1.00 0.00 H new HETATM 627 P CFL B 21 -0.205 -5.754 12.652 1.00 0.00 P HETATM 628 O1P CFL B 21 -0.599 -5.780 14.078 1.00 0.00 O HETATM 629 O2P CFL B 21 0.784 -6.741 12.165 1.00 0.00 O HETATM 630 O5' CFL B 21 -1.585 -5.954 11.834 1.00 0.00 O HETATM 631 C5' CFL B 21 -2.729 -5.163 12.164 1.00 0.00 C HETATM 632 C4' CFL B 21 -3.972 -5.395 11.284 1.00 0.00 C HETATM 633 O4' CFL B 21 -3.777 -5.048 9.921 1.00 0.00 O HETATM 634 C3' CFL B 21 -4.479 -6.839 11.330 1.00 0.00 C HETATM 635 O3' CFL B 21 -5.772 -6.938 11.945 1.00 0.00 O HETATM 636 C2' CFL B 21 -4.432 -7.302 9.879 1.00 0.00 C HETATM 637 C1' CFL B 21 -4.440 -5.991 9.097 1.00 0.00 C HETATM 638 N1 CFL B 21 -3.797 -6.078 7.753 1.00 0.00 N HETATM 639 C2 CFL B 21 -4.608 -6.152 6.614 1.00 0.00 C HETATM 640 O2 CFL B 21 -5.834 -6.112 6.694 1.00 0.00 O HETATM 641 N3 CFL B 21 -4.050 -6.291 5.386 1.00 0.00 N HETATM 642 C4 CFL B 21 -2.734 -6.369 5.280 1.00 0.00 C HETATM 643 N4 CFL B 21 -2.255 -6.466 4.064 1.00 0.00 N HETATM 644 C5 CFL B 21 -1.858 -6.298 6.410 1.00 0.00 C HETATM 645 C6 CFL B 21 -2.435 -6.150 7.631 1.00 0.00 C HETATM 646 F CFL B 21 -3.250 -7.969 9.649 1.00 0.00 F HETATM 0 HN42 CFL B 21 -1.248 -6.530 3.916 1.00 0.00 H new HETATM 0 HN41 CFL B 21 -2.889 -6.478 3.265 1.00 0.00 H new HETATM 0 H5'2 CFL B 21 -2.998 -5.360 13.202 1.00 0.00 H new HETATM 0 H5'1 CFL B 21 -2.452 -4.111 12.101 1.00 0.00 H new HETATM 0 H6 CFL B 21 -1.809 -6.088 8.521 1.00 0.00 H new HETATM 0 H5 CFL B 21 -0.776 -6.360 6.296 1.00 0.00 H new HETATM 0 H4' CFL B 21 -4.717 -4.729 11.720 1.00 0.00 H new HETATM 0 H3' CFL B 21 -3.867 -7.486 11.959 1.00 0.00 H new HETATM 0 H2' CFL B 21 -5.247 -7.974 9.609 1.00 0.00 H new HETATM 0 H1' CFL B 21 -5.469 -5.705 8.877 1.00 0.00 H new HETATM 657 F GF2 B 22 -8.410 -11.365 6.560 1.00 0.00 F HETATM 658 P GF2 B 22 -6.347 -8.347 12.503 1.00 0.00 P HETATM 659 N1 GF2 B 22 -5.776 -9.825 2.209 1.00 0.00 N HETATM 660 C2 GF2 B 22 -7.001 -9.904 2.795 1.00 0.00 C HETATM 661 N2 GF2 B 22 -8.044 -10.149 2.044 1.00 0.00 N HETATM 662 N3 GF2 B 22 -7.216 -9.801 4.100 1.00 0.00 N HETATM 663 C4 GF2 B 22 -6.066 -9.672 4.819 1.00 0.00 C HETATM 664 C5 GF2 B 22 -4.775 -9.633 4.341 1.00 0.00 C HETATM 665 C6 GF2 B 22 -4.588 -9.689 2.909 1.00 0.00 C HETATM 666 O6 GF2 B 22 -3.555 -9.670 2.242 1.00 0.00 O HETATM 667 N7 GF2 B 22 -3.881 -9.596 5.421 1.00 0.00 N HETATM 668 C8 GF2 B 22 -4.655 -9.583 6.477 1.00 0.00 C HETATM 669 N9 GF2 B 22 -5.994 -9.601 6.185 1.00 0.00 N HETATM 670 C1' GF2 B 22 -7.177 -9.605 7.073 1.00 0.00 C HETATM 671 OP2 GF2 B 22 -5.171 -9.055 13.075 1.00 0.00 O HETATM 672 C2' GF2 B 22 -7.568 -10.986 7.575 1.00 0.00 C HETATM 673 OP1 GF2 B 22 -7.523 -8.092 13.354 1.00 0.00 O HETATM 674 C3' GF2 B 22 -8.180 -10.674 8.942 1.00 0.00 C HETATM 675 O3' GF2 B 22 -9.430 -11.311 9.198 1.00 0.00 O HETATM 676 C4' GF2 B 22 -8.159 -9.150 9.026 1.00 0.00 C HETATM 677 O4' GF2 B 22 -7.040 -8.799 8.220 1.00 0.00 O HETATM 678 C5' GF2 B 22 -8.025 -8.602 10.458 1.00 0.00 C HETATM 679 O5' GF2 B 22 -6.880 -9.099 11.165 1.00 0.00 O HETATM 0 HN2A GF2 B 22 -8.971 -10.212 2.464 1.00 0.00 H new HETATM 0 H5'A GF2 B 22 -7.970 -7.514 10.417 1.00 0.00 H new HETATM 0 HN2 GF2 B 22 -7.930 -10.277 1.039 1.00 0.00 H new HETATM 0 HN1 GF2 B 22 -5.729 -9.869 1.191 1.00 0.00 H new HETATM 0 H8 GF2 B 22 -4.269 -9.560 7.496 1.00 0.00 H new HETATM 0 H5' GF2 B 22 -8.925 -8.855 11.019 1.00 0.00 H new HETATM 0 H4' GF2 B 22 -9.100 -8.717 8.688 1.00 0.00 H new HETATM 0 H3' GF2 B 22 -7.605 -11.106 9.761 1.00 0.00 H new HETATM 0 H2' GF2 B 22 -6.845 -11.784 7.743 1.00 0.00 H new HETATM 0 H1' GF2 B 22 -7.949 -9.203 6.417 1.00 0.00 H new HETATM 690 P CFL B 23 -9.539 -12.905 9.425 1.00 0.00 P HETATM 691 O1P CFL B 23 -10.833 -13.159 10.082 1.00 0.00 O HETATM 692 O2P CFL B 23 -8.299 -13.237 10.177 1.00 0.00 O HETATM 693 O5' CFL B 23 -9.575 -13.567 7.927 1.00 0.00 O HETATM 694 C5' CFL B 23 -10.732 -13.411 7.083 1.00 0.00 C HETATM 695 C4' CFL B 23 -10.685 -13.928 5.619 1.00 0.00 C HETATM 696 O4' CFL B 23 -9.723 -13.243 4.823 1.00 0.00 O HETATM 697 C3' CFL B 23 -10.430 -15.426 5.391 1.00 0.00 C HETATM 698 O3' CFL B 23 -11.279 -15.910 4.326 1.00 0.00 O HETATM 699 C2' CFL B 23 -8.958 -15.476 5.031 1.00 0.00 C HETATM 700 C1' CFL B 23 -8.925 -14.219 4.161 1.00 0.00 C HETATM 701 N1 CFL B 23 -7.556 -13.707 3.912 1.00 0.00 N HETATM 702 C2 CFL B 23 -7.061 -13.685 2.607 1.00 0.00 C HETATM 703 O2 CFL B 23 -7.756 -14.011 1.648 1.00 0.00 O HETATM 704 N3 CFL B 23 -5.777 -13.324 2.369 1.00 0.00 N HETATM 705 C4 CFL B 23 -5.011 -12.972 3.388 1.00 0.00 C HETATM 706 N4 CFL B 23 -3.778 -12.650 3.085 1.00 0.00 N HETATM 707 C5 CFL B 23 -5.487 -12.916 4.737 1.00 0.00 C HETATM 708 C6 CFL B 23 -6.767 -13.312 4.956 1.00 0.00 C HETATM 709 F CFL B 23 -8.136 -15.425 6.140 1.00 0.00 F HETATM 0 HN42 CFL B 23 -3.129 -12.368 3.820 1.00 0.00 H new HETATM 0 HN41 CFL B 23 -3.467 -12.681 2.114 1.00 0.00 H new HETATM 0 H5'2 CFL B 23 -11.567 -13.907 7.578 1.00 0.00 H new HETATM 0 H5'1 CFL B 23 -10.969 -12.348 7.047 1.00 0.00 H new HETATM 0 H6 CFL B 23 -7.168 -13.315 5.970 1.00 0.00 H new HETATM 0 H5 CFL B 23 -4.850 -12.571 5.552 1.00 0.00 H new HETATM 0 H4' CFL B 23 -11.713 -13.724 5.321 1.00 0.00 H new HETATM 0 H3' CFL B 23 -10.656 -16.058 6.250 1.00 0.00 H new HETATM 0 H2' CFL B 23 -8.597 -16.385 4.551 1.00 0.00 H new HETATM 0 H1' CFL B 23 -9.315 -14.457 3.172 1.00 0.00 H new HETATM 720 F GF2 B 24 -6.155 -19.648 3.941 1.00 0.00 F HETATM 721 P GF2 B 24 -11.216 -17.425 3.731 1.00 0.00 P HETATM 722 N1 GF2 B 24 -2.214 -16.231 -0.097 1.00 0.00 N HETATM 723 C2 GF2 B 24 -3.272 -16.894 -0.613 1.00 0.00 C HETATM 724 N2 GF2 B 24 -3.158 -17.220 -1.871 1.00 0.00 N HETATM 725 N3 GF2 B 24 -4.361 -17.245 0.053 1.00 0.00 N HETATM 726 C4 GF2 B 24 -4.339 -16.821 1.353 1.00 0.00 C HETATM 727 C5 GF2 B 24 -3.321 -16.142 1.987 1.00 0.00 C HETATM 728 C6 GF2 B 24 -2.136 -15.824 1.221 1.00 0.00 C HETATM 729 O6 GF2 B 24 -1.082 -15.288 1.549 1.00 0.00 O HETATM 730 N7 GF2 B 24 -3.659 -15.945 3.328 1.00 0.00 N HETATM 731 C8 GF2 B 24 -4.833 -16.506 3.456 1.00 0.00 C HETATM 732 N9 GF2 B 24 -5.304 -17.093 2.297 1.00 0.00 N HETATM 733 C1' GF2 B 24 -6.360 -18.111 2.036 1.00 0.00 C HETATM 734 OP2 GF2 B 24 -10.914 -18.325 4.862 1.00 0.00 O HETATM 735 C2' GF2 B 24 -7.016 -18.873 3.186 1.00 0.00 C HETATM 736 OP1 GF2 B 24 -12.417 -17.644 2.897 1.00 0.00 O HETATM 737 C3' GF2 B 24 -7.938 -19.722 2.306 1.00 0.00 C HETATM 738 O3' GF2 B 24 -7.137 -20.665 1.611 1.00 0.00 O HETATM 739 C4' GF2 B 24 -8.444 -18.695 1.266 1.00 0.00 C HETATM 740 O4' GF2 B 24 -7.460 -17.656 1.261 1.00 0.00 O HETATM 741 C5' GF2 B 24 -9.850 -18.124 1.546 1.00 0.00 C HETATM 742 O5' GF2 B 24 -9.917 -17.391 2.762 1.00 0.00 O HETATM 0 HO3' GF2 B 24 -6.366 -20.909 2.164 1.00 0.00 H new HETATM 0 HN2A GF2 B 24 -3.913 -17.723 -2.338 1.00 0.00 H new HETATM 0 H5'A GF2 B 24 -10.145 -17.476 0.720 1.00 0.00 H new HETATM 0 HN2 GF2 B 24 -2.314 -16.972 -2.388 1.00 0.00 H new HETATM 0 HN1 GF2 B 24 -1.430 -16.019 -0.714 1.00 0.00 H new HETATM 0 H8 GF2 B 24 -5.390 -16.510 4.393 1.00 0.00 H new HETATM 0 H5' GF2 B 24 -10.569 -18.943 1.581 1.00 0.00 H new HETATM 0 H4' GF2 B 24 -8.562 -19.186 0.300 1.00 0.00 H new HETATM 0 H3' GF2 B 24 -8.724 -20.240 2.856 1.00 0.00 H new HETATM 0 H2' GF2 B 24 -7.465 -18.258 3.966 1.00 0.00 H new HETATM 0 H1' GF2 B 24 -5.689 -18.796 1.517 1.00 0.00 H new TER 754 GF2 B 24