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 30:sc= -0.106 USER MOD Single : B 24 GF2 O3' : rot 33:sc= -0.0342 USER MOD ----------------------------------------------------------------- HETATM 1 N1 CFZ A 1 0.675 -15.893 -3.343 1.00 0.00 N HETATM 2 C2 CFZ A 1 -0.096 -16.547 -2.354 1.00 0.00 C HETATM 3 O2 CFZ A 1 -0.677 -17.607 -2.608 1.00 0.00 O HETATM 4 N3 CFZ A 1 -0.175 -15.977 -1.096 1.00 0.00 N HETATM 5 C4 CFZ A 1 0.483 -14.834 -0.829 1.00 0.00 C HETATM 6 N4 CFZ A 1 0.456 -14.323 0.388 1.00 0.00 N HETATM 7 C5 CFZ A 1 1.273 -14.185 -1.824 1.00 0.00 C HETATM 8 C6 CFZ A 1 1.335 -14.731 -3.057 1.00 0.00 C HETATM 9 C1' CFZ A 1 0.776 -16.448 -4.721 1.00 0.00 C HETATM 10 C2' CFZ A 1 -0.290 -15.906 -5.674 1.00 0.00 C HETATM 11 F2' CFZ A 1 -1.188 -16.953 -5.646 1.00 0.00 F HETATM 12 C3' CFZ A 1 0.503 -15.561 -6.946 1.00 0.00 C HETATM 13 O3' CFZ A 1 -0.211 -15.686 -8.182 1.00 0.00 O HETATM 14 C4' CFZ A 1 1.747 -16.427 -6.752 1.00 0.00 C HETATM 15 O4' CFZ A 1 2.020 -16.227 -5.363 1.00 0.00 O HETATM 16 C5' CFZ A 1 2.958 -16.027 -7.605 1.00 0.00 C HETATM 17 O5' CFZ A 1 3.464 -14.763 -7.219 1.00 0.00 O HETATM 0 HN4A CFZ A 1 0.955 -13.457 0.588 1.00 0.00 H new HETATM 0 H5'A CFZ A 1 3.740 -16.780 -7.506 1.00 0.00 H new HETATM 0 HN4 CFZ A 1 -0.064 -14.795 1.128 1.00 0.00 H new HETATM 0 H6 CFZ A 1 1.919 -14.239 -3.835 1.00 0.00 H new HETATM 0 H5' CFZ A 1 2.672 -16.001 -8.657 1.00 0.00 H new HETATM 0 H5 CFZ A 1 1.815 -13.268 -1.594 1.00 0.00 H new HETATM 0 H4' CFZ A 1 1.570 -17.458 -7.060 1.00 0.00 H new HETATM 0 H3' CFZ A 1 0.744 -14.504 -7.056 1.00 0.00 H new HETATM 0 H2' CFZ A 1 -0.864 -14.998 -5.487 1.00 0.00 H new HETATM 0 H1' CFZ A 1 0.640 -17.514 -4.539 1.00 0.00 H new HETATM 29 F GF2 A 2 -6.970 -14.906 -5.020 1.00 0.00 F HETATM 30 P GF2 A 2 -1.235 -14.516 -8.663 1.00 0.00 P HETATM 31 N1 GF2 A 2 -5.196 -14.590 0.470 1.00 0.00 N HETATM 32 C2 GF2 A 2 -6.049 -15.206 -0.396 1.00 0.00 C HETATM 33 N2 GF2 A 2 -7.184 -15.658 0.073 1.00 0.00 N HETATM 34 N3 GF2 A 2 -5.818 -15.357 -1.697 1.00 0.00 N HETATM 35 C4 GF2 A 2 -4.633 -14.809 -2.087 1.00 0.00 C HETATM 36 C5 GF2 A 2 -3.700 -14.172 -1.298 1.00 0.00 C HETATM 37 C6 GF2 A 2 -3.977 -14.047 0.110 1.00 0.00 C HETATM 38 O6 GF2 A 2 -3.294 -13.555 1.005 1.00 0.00 O HETATM 39 N7 GF2 A 2 -2.615 -13.763 -2.083 1.00 0.00 N HETATM 40 C8 GF2 A 2 -2.940 -14.141 -3.290 1.00 0.00 C HETATM 41 N9 GF2 A 2 -4.143 -14.796 -3.365 1.00 0.00 N HETATM 42 C1' GF2 A 2 -4.817 -15.390 -4.538 1.00 0.00 C HETATM 43 OP2 GF2 A 2 -0.647 -13.201 -8.355 1.00 0.00 O HETATM 44 C2' GF2 A 2 -5.713 -14.398 -5.269 1.00 0.00 C HETATM 45 OP1 GF2 A 2 -1.802 -14.755 -10.010 1.00 0.00 O HETATM 46 C3' GF2 A 2 -5.170 -14.412 -6.691 1.00 0.00 C HETATM 47 O3' GF2 A 2 -6.150 -14.200 -7.698 1.00 0.00 O HETATM 48 C4' GF2 A 2 -4.439 -15.747 -6.742 1.00 0.00 C HETATM 49 O4' GF2 A 2 -3.840 -15.832 -5.457 1.00 0.00 O HETATM 50 C5' GF2 A 2 -3.376 -15.791 -7.837 1.00 0.00 C HETATM 51 O5' GF2 A 2 -2.478 -14.702 -7.682 1.00 0.00 O HETATM 0 HN2A GF2 A 2 -7.844 -16.124 -0.550 1.00 0.00 H new HETATM 0 H5'A GF2 A 2 -2.830 -16.733 -7.789 1.00 0.00 H new HETATM 0 HN2 GF2 A 2 -7.409 -15.544 1.061 1.00 0.00 H new HETATM 0 HN1 GF2 A 2 -5.476 -14.525 1.449 1.00 0.00 H new HETATM 0 H8 GF2 A 2 -2.311 -13.953 -4.160 1.00 0.00 H new HETATM 0 H5' GF2 A 2 -3.850 -15.747 -8.818 1.00 0.00 H new HETATM 0 H4' GF2 A 2 -5.109 -16.575 -6.974 1.00 0.00 H new HETATM 0 H3' GF2 A 2 -4.510 -13.574 -6.915 1.00 0.00 H new HETATM 0 H2' GF2 A 2 -5.747 -13.345 -4.989 1.00 0.00 H new HETATM 0 H1' GF2 A 2 -5.435 -16.207 -4.166 1.00 0.00 H new HETATM 62 P CFZ A 3 -6.640 -12.718 -8.091 1.00 0.00 P HETATM 63 N1 CFZ A 3 -7.290 -11.749 -2.220 1.00 0.00 N HETATM 64 C2 CFZ A 3 -7.203 -11.657 -0.828 1.00 0.00 C HETATM 65 O2 CFZ A 3 -8.182 -11.856 -0.112 1.00 0.00 O HETATM 66 N3 CFZ A 3 -6.033 -11.305 -0.241 1.00 0.00 N HETATM 67 C4 CFZ A 3 -4.984 -11.026 -1.001 1.00 0.00 C HETATM 68 N4 CFZ A 3 -3.880 -10.688 -0.380 1.00 0.00 N HETATM 69 C5 CFZ A 3 -5.018 -11.123 -2.428 1.00 0.00 C HETATM 70 C6 CFZ A 3 -6.196 -11.483 -2.999 1.00 0.00 C HETATM 71 C1' CFZ A 3 -8.616 -11.976 -2.862 1.00 0.00 C HETATM 72 O1P CFZ A 3 -7.615 -12.860 -9.186 1.00 0.00 O HETATM 73 C2' CFZ A 3 -9.282 -10.669 -3.229 1.00 0.00 C HETATM 74 F2' CFZ A 3 -10.483 -10.706 -2.556 1.00 0.00 F HETATM 75 O2P CFZ A 3 -5.376 -11.987 -8.352 1.00 0.00 O HETATM 76 C3' CFZ A 3 -9.300 -10.635 -4.769 1.00 0.00 C HETATM 77 O3' CFZ A 3 -10.397 -9.890 -5.307 1.00 0.00 O HETATM 78 C4' CFZ A 3 -9.249 -12.135 -5.073 1.00 0.00 C HETATM 79 O4' CFZ A 3 -8.405 -12.682 -4.071 1.00 0.00 O HETATM 80 C5' CFZ A 3 -8.738 -12.542 -6.468 1.00 0.00 C HETATM 81 O5' CFZ A 3 -7.393 -12.149 -6.763 1.00 0.00 O HETATM 0 HN4A CFZ A 3 -3.042 -10.463 -0.916 1.00 0.00 H new HETATM 0 H5'A CFZ A 3 -8.812 -13.625 -6.563 1.00 0.00 H new HETATM 0 HN4 CFZ A 3 -3.859 -10.650 0.639 1.00 0.00 H new HETATM 0 H6 CFZ A 3 -6.271 -11.561 -4.084 1.00 0.00 H new HETATM 0 H5' CFZ A 3 -9.399 -12.110 -7.220 1.00 0.00 H new HETATM 0 H5 CFZ A 3 -4.134 -10.916 -3.032 1.00 0.00 H new HETATM 0 H4' CFZ A 3 -10.271 -12.513 -5.071 1.00 0.00 H new HETATM 0 H3' CFZ A 3 -8.486 -10.092 -5.249 1.00 0.00 H new HETATM 0 H2' CFZ A 3 -8.804 -9.733 -2.940 1.00 0.00 H new HETATM 0 H1' CFZ A 3 -9.246 -12.522 -2.160 1.00 0.00 H new HETATM 92 F GF2 A 4 -11.120 -6.097 1.217 1.00 0.00 F HETATM 93 P GF2 A 4 -10.423 -8.267 -5.277 1.00 0.00 P HETATM 94 N1 GF2 A 4 -6.088 -7.040 3.329 1.00 0.00 N HETATM 95 C2 GF2 A 4 -7.429 -7.031 3.561 1.00 0.00 C HETATM 96 N2 GF2 A 4 -7.840 -6.732 4.768 1.00 0.00 N HETATM 97 N3 GF2 A 4 -8.356 -7.270 2.637 1.00 0.00 N HETATM 98 C4 GF2 A 4 -7.821 -7.562 1.417 1.00 0.00 C HETATM 99 C5 GF2 A 4 -6.486 -7.601 1.073 1.00 0.00 C HETATM 100 C6 GF2 A 4 -5.515 -7.289 2.093 1.00 0.00 C HETATM 101 O6 GF2 A 4 -4.290 -7.208 2.024 1.00 0.00 O HETATM 102 N7 GF2 A 4 -6.353 -7.945 -0.278 1.00 0.00 N HETATM 103 C8 GF2 A 4 -7.587 -8.079 -0.690 1.00 0.00 C HETATM 104 N9 GF2 A 4 -8.531 -7.830 0.272 1.00 0.00 N HETATM 105 C1' GF2 A 4 -9.999 -7.705 0.119 1.00 0.00 C HETATM 106 OP2 GF2 A 4 -9.130 -7.705 -5.700 1.00 0.00 O HETATM 107 C2' GF2 A 4 -10.412 -6.241 0.046 1.00 0.00 C HETATM 108 OP1 GF2 A 4 -11.622 -7.702 -5.933 1.00 0.00 O HETATM 109 C3' GF2 A 4 -11.135 -6.106 -1.294 1.00 0.00 C HETATM 110 O3' GF2 A 4 -12.151 -5.097 -1.312 1.00 0.00 O HETATM 111 C4' GF2 A 4 -11.545 -7.554 -1.563 1.00 0.00 C HETATM 112 O4' GF2 A 4 -10.410 -8.281 -1.101 1.00 0.00 O HETATM 113 C5' GF2 A 4 -11.776 -7.888 -3.041 1.00 0.00 C HETATM 114 O5' GF2 A 4 -10.560 -7.768 -3.766 1.00 0.00 O HETATM 0 HN2A GF2 A 4 -8.838 -6.716 4.977 1.00 0.00 H new HETATM 0 H5'A GF2 A 4 -12.166 -8.901 -3.136 1.00 0.00 H new HETATM 0 HN2 GF2 A 4 -7.162 -6.515 5.499 1.00 0.00 H new HETATM 0 HN1 GF2 A 4 -5.466 -6.851 4.115 1.00 0.00 H new HETATM 0 H8 GF2 A 4 -7.843 -8.364 -1.710 1.00 0.00 H new HETATM 0 H5' GF2 A 4 -12.526 -7.217 -3.460 1.00 0.00 H new HETATM 0 H4' GF2 A 4 -12.495 -7.782 -1.080 1.00 0.00 H new HETATM 0 H3' GF2 A 4 -10.534 -5.712 -2.113 1.00 0.00 H new HETATM 0 H2' GF2 A 4 -9.669 -5.444 0.023 1.00 0.00 H new HETATM 0 H1' GF2 A 4 -10.453 -8.201 0.977 1.00 0.00 H new HETATM 125 F AF2 A 5 -9.460 -1.828 4.919 1.00 0.00 F HETATM 126 P AF2 A 5 -11.755 -3.526 -1.391 1.00 0.00 P HETATM 127 N1 AF2 A 5 -3.928 -3.612 4.168 1.00 0.00 N HETATM 128 C2 AF2 A 5 -4.934 -3.323 4.989 1.00 0.00 C HETATM 129 N3 AF2 A 5 -6.233 -3.298 4.699 1.00 0.00 N HETATM 130 C4 AF2 A 5 -6.473 -3.610 3.395 1.00 0.00 C HETATM 131 C5 AF2 A 5 -5.542 -3.920 2.437 1.00 0.00 C HETATM 132 C6 AF2 A 5 -4.206 -3.926 2.899 1.00 0.00 C HETATM 133 N6 AF2 A 5 -3.163 -4.237 2.141 1.00 0.00 N HETATM 134 N7 AF2 A 5 -6.150 -4.164 1.201 1.00 0.00 N HETATM 135 C8 AF2 A 5 -7.417 -3.988 1.457 1.00 0.00 C HETATM 136 N9 AF2 A 5 -7.694 -3.655 2.760 1.00 0.00 N HETATM 137 C1' AF2 A 5 -9.020 -3.381 3.364 1.00 0.00 C HETATM 138 OP2 AF2 A 5 -10.683 -3.380 -2.394 1.00 0.00 O HETATM 139 C2' AF2 A 5 -9.264 -1.890 3.555 1.00 0.00 C HETATM 140 OP1 AF2 A 5 -12.950 -2.663 -1.511 1.00 0.00 O HETATM 141 C3' AF2 A 5 -10.436 -1.560 2.625 1.00 0.00 C HETATM 142 O3' AF2 A 5 -11.250 -0.455 3.049 1.00 0.00 O HETATM 143 C4' AF2 A 5 -11.106 -2.928 2.496 1.00 0.00 C HETATM 144 O4' AF2 A 5 -10.001 -3.821 2.447 1.00 0.00 O HETATM 145 C5' AF2 A 5 -11.951 -3.112 1.226 1.00 0.00 C HETATM 146 O5' AF2 A 5 -11.149 -3.094 0.042 1.00 0.00 O HETATM 0 HN6A AF2 A 5 -3.301 -4.487 1.162 1.00 0.00 H new HETATM 0 H5'A AF2 A 5 -12.491 -4.057 1.284 1.00 0.00 H new HETATM 0 HN6 AF2 A 5 -2.223 -4.226 2.537 1.00 0.00 H new HETATM 0 H8 AF2 A 5 -8.192 -4.096 0.699 1.00 0.00 H new HETATM 0 H5' AF2 A 5 -12.698 -2.320 1.170 1.00 0.00 H new HETATM 0 H4' AF2 A 5 -11.808 -3.083 3.315 1.00 0.00 H new HETATM 0 H3' AF2 A 5 -10.151 -1.155 1.654 1.00 0.00 H new HETATM 0 H2' AF2 A 5 -8.502 -1.156 3.293 1.00 0.00 H new HETATM 0 H2 AF2 A 5 -4.664 -3.079 6.016 1.00 0.00 H new HETATM 0 H1' AF2 A 5 -9.061 -3.883 4.331 1.00 0.00 H new HETATM 157 F AF2 A 6 -5.448 1.587 7.398 1.00 0.00 F HETATM 158 P AF2 A 6 -10.764 1.088 2.836 1.00 0.00 P HETATM 159 N1 AF2 A 6 -1.124 -0.667 4.355 1.00 0.00 N HETATM 160 C2 AF2 A 6 -1.666 -0.334 5.523 1.00 0.00 C HETATM 161 N3 AF2 A 6 -2.951 -0.107 5.790 1.00 0.00 N HETATM 162 C4 AF2 A 6 -3.742 -0.257 4.692 1.00 0.00 C HETATM 163 C5 AF2 A 6 -3.329 -0.584 3.427 1.00 0.00 C HETATM 164 C6 AF2 A 6 -1.940 -0.814 3.304 1.00 0.00 C HETATM 165 N6 AF2 A 6 -1.353 -1.179 2.175 1.00 0.00 N HETATM 166 N7 AF2 A 6 -4.404 -0.596 2.531 1.00 0.00 N HETATM 167 C8 AF2 A 6 -5.420 -0.298 3.293 1.00 0.00 C HETATM 168 N9 AF2 A 6 -5.112 -0.115 4.617 1.00 0.00 N HETATM 169 C1' AF2 A 6 -6.046 0.225 5.720 1.00 0.00 C HETATM 170 OP2 AF2 A 6 -10.353 1.194 1.415 1.00 0.00 O HETATM 171 C2' AF2 A 6 -5.895 1.683 6.097 1.00 0.00 C HETATM 172 OP1 AF2 A 6 -11.790 2.034 3.353 1.00 0.00 O HETATM 173 C3' AF2 A 6 -7.260 2.317 5.793 1.00 0.00 C HETATM 174 O3' AF2 A 6 -7.575 3.468 6.578 1.00 0.00 O HETATM 175 C4' AF2 A 6 -8.171 1.100 5.898 1.00 0.00 C HETATM 176 O4' AF2 A 6 -7.380 0.101 5.260 1.00 0.00 O HETATM 177 C5' AF2 A 6 -9.538 1.240 5.200 1.00 0.00 C HETATM 178 O5' AF2 A 6 -9.447 1.239 3.772 1.00 0.00 O HETATM 0 HN6A AF2 A 6 -1.909 -1.311 1.330 1.00 0.00 H new HETATM 0 H5'A AF2 A 6 -10.185 0.422 5.516 1.00 0.00 H new HETATM 0 HN6 AF2 A 6 -0.344 -1.328 2.150 1.00 0.00 H new HETATM 0 H8 AF2 A 6 -6.435 -0.202 2.907 1.00 0.00 H new HETATM 0 H5' AF2 A 6 -10.012 2.166 5.526 1.00 0.00 H new HETATM 0 H4' AF2 A 6 -8.454 0.899 6.931 1.00 0.00 H new HETATM 0 H3' AF2 A 6 -7.344 2.801 4.820 1.00 0.00 H new HETATM 0 H2' AF2 A 6 -5.195 2.336 5.575 1.00 0.00 H new HETATM 0 H2 AF2 A 6 -0.977 -0.235 6.361 1.00 0.00 H new HETATM 0 H1' AF2 A 6 -5.828 -0.437 6.558 1.00 0.00 H new HETATM 189 P TAF A 7 -6.806 4.868 6.331 1.00 0.00 P HETATM 190 OP1 TAF A 7 -7.337 5.964 7.166 1.00 0.00 O HETATM 191 OP2 TAF A 7 -6.682 5.144 4.889 1.00 0.00 O HETATM 192 O5' TAF A 7 -5.298 4.702 6.839 1.00 0.00 O HETATM 193 N1 TAF A 7 -1.438 3.186 5.693 1.00 0.00 N HETATM 194 C6 TAF A 7 -2.435 3.116 4.741 1.00 0.00 C HETATM 195 C2 TAF A 7 -0.110 2.884 5.365 1.00 0.00 C HETATM 196 O2 TAF A 7 0.820 2.981 6.157 1.00 0.00 O HETATM 197 N3 TAF A 7 0.138 2.504 4.064 1.00 0.00 N HETATM 198 C4 TAF A 7 -0.794 2.447 3.050 1.00 0.00 C HETATM 199 O4 TAF A 7 -0.422 2.142 1.921 1.00 0.00 O HETATM 200 C5 TAF A 7 -2.159 2.781 3.453 1.00 0.00 C HETATM 201 C5M TAF A 7 -3.273 2.789 2.423 1.00 0.00 C HETATM 202 F2' TAF A 7 -2.486 5.724 5.817 1.00 0.00 F HETATM 203 C2' TAF A 7 -1.838 5.306 6.970 1.00 0.00 C HETATM 204 C5' TAF A 7 -4.990 4.483 8.212 1.00 0.00 C HETATM 205 C4' TAF A 7 -3.478 4.311 8.437 1.00 0.00 C HETATM 206 O4' TAF A 7 -2.928 3.305 7.588 1.00 0.00 O HETATM 207 C1' TAF A 7 -1.709 3.782 7.035 1.00 0.00 C HETATM 208 C3' TAF A 7 -2.726 5.619 8.164 1.00 0.00 C HETATM 209 O3' TAF A 7 -2.057 6.156 9.317 1.00 0.00 O HETATM 0 H5'' TAF A 7 -5.353 5.323 8.804 1.00 0.00 H new HETATM 0 H73 TAF A 7 -4.050 2.085 2.722 1.00 0.00 H new HETATM 0 H72 TAF A 7 -3.698 3.791 2.354 1.00 0.00 H new HETATM 0 H71 TAF A 7 -2.873 2.497 1.452 1.00 0.00 H new HETATM 0 H6 TAF A 7 -3.464 3.334 5.028 1.00 0.00 H new HETATM 0 H5' TAF A 7 -5.514 3.594 8.565 1.00 0.00 H new HETATM 0 H4' TAF A 7 -3.357 4.016 9.479 1.00 0.00 H new HETATM 0 H3' TAF A 7 -3.399 6.444 7.929 1.00 0.00 H new HETATM 0 H3 TAF A 7 1.096 2.242 3.831 1.00 0.00 H new HETATM 0 H2' TAF A 7 -0.865 5.797 6.974 1.00 0.00 H new HETATM 0 H1' TAF A 7 -0.859 3.491 7.652 1.00 0.00 H new HETATM 221 P UFT A 8 -1.496 7.677 9.310 1.00 0.00 P HETATM 222 OP1 UFT A 8 -1.236 8.191 10.673 1.00 0.00 O HETATM 223 OP2 UFT A 8 -2.318 8.479 8.384 1.00 0.00 O HETATM 224 O5' UFT A 8 -0.039 7.554 8.667 1.00 0.00 O HETATM 225 N1 UFT A 8 2.253 5.776 4.841 1.00 0.00 N HETATM 226 C6 UFT A 8 0.965 6.046 4.419 1.00 0.00 C HETATM 227 C2 UFT A 8 3.207 5.291 3.945 1.00 0.00 C HETATM 228 O2 UFT A 8 4.363 5.032 4.260 1.00 0.00 O HETATM 229 N3 UFT A 8 2.806 5.121 2.640 1.00 0.00 N HETATM 230 C4 UFT A 8 1.559 5.386 2.133 1.00 0.00 C HETATM 231 O4 UFT A 8 1.355 5.250 0.930 1.00 0.00 O HETATM 232 C5 UFT A 8 0.606 5.858 3.120 1.00 0.00 C HETATM 233 F2' UFT A 8 4.551 7.314 6.147 1.00 0.00 F HETATM 234 C2' UFT A 8 3.210 7.502 6.383 1.00 0.00 C HETATM 235 C5' UFT A 8 0.980 6.789 9.298 1.00 0.00 C HETATM 236 C4' UFT A 8 2.148 6.572 8.335 1.00 0.00 C HETATM 237 O4' UFT A 8 1.676 5.912 7.171 1.00 0.00 O HETATM 238 C1' UFT A 8 2.709 6.070 6.229 1.00 0.00 C HETATM 239 C3' UFT A 8 2.753 7.872 7.798 1.00 0.00 C HETATM 240 O3' UFT A 8 3.719 8.515 8.629 1.00 0.00 O HETATM 0 H5'A UFT A 8 1.328 7.302 10.194 1.00 0.00 H new HETATM 0 HN3 UFT A 8 3.503 4.764 1.987 1.00 0.00 H new HETATM 0 H6 UFT A 8 0.229 6.413 5.134 1.00 0.00 H new HETATM 0 H5' UFT A 8 0.578 5.827 9.617 1.00 0.00 H new HETATM 0 H5 UFT A 8 -0.419 6.066 2.814 1.00 0.00 H new HETATM 0 H4' UFT A 8 2.890 6.016 8.908 1.00 0.00 H new HETATM 0 H3' UFT A 8 2.021 8.680 7.786 1.00 0.00 H new HETATM 0 H2' UFT A 8 2.869 8.318 5.746 1.00 0.00 H new HETATM 0 H1' UFT A 8 3.514 5.358 6.411 1.00 0.00 H new HETATM 250 P CFL A 9 4.154 10.059 8.399 1.00 0.00 P HETATM 251 O1P CFL A 9 4.945 10.520 9.556 1.00 0.00 O HETATM 252 O2P CFL A 9 2.931 10.803 8.032 1.00 0.00 O HETATM 253 O5' CFL A 9 5.169 10.053 7.138 1.00 0.00 O HETATM 254 C5' CFL A 9 6.459 9.454 7.262 1.00 0.00 C HETATM 255 C4' CFL A 9 7.339 9.520 6.000 1.00 0.00 C HETATM 256 O4' CFL A 9 6.881 8.687 4.947 1.00 0.00 O HETATM 257 C3' CFL A 9 7.491 10.938 5.442 1.00 0.00 C HETATM 258 O3' CFL A 9 8.852 11.382 5.469 1.00 0.00 O HETATM 259 C2' CFL A 9 6.840 10.885 4.064 1.00 0.00 C HETATM 260 C1' CFL A 9 6.948 9.402 3.722 1.00 0.00 C HETATM 261 N1 CFL A 9 5.905 8.876 2.791 1.00 0.00 N HETATM 262 C2 CFL A 9 6.279 8.457 1.510 1.00 0.00 C HETATM 263 O2 CFL A 9 7.452 8.478 1.145 1.00 0.00 O HETATM 264 N3 CFL A 9 5.342 8.028 0.630 1.00 0.00 N HETATM 265 C4 CFL A 9 4.072 7.990 1.004 1.00 0.00 C HETATM 266 N4 CFL A 9 3.217 7.563 0.107 1.00 0.00 N HETATM 267 C5 CFL A 9 3.639 8.354 2.315 1.00 0.00 C HETATM 268 C6 CFL A 9 4.589 8.791 3.179 1.00 0.00 C HETATM 269 F CFL A 9 5.522 11.253 4.159 1.00 0.00 F HETATM 0 HN42 CFL A 9 2.224 7.510 0.334 1.00 0.00 H new HETATM 0 HN41 CFL A 9 3.545 7.283 -0.818 1.00 0.00 H new HETATM 0 H5'2 CFL A 9 6.990 9.940 8.081 1.00 0.00 H new HETATM 0 H5'1 CFL A 9 6.331 8.408 7.541 1.00 0.00 H new HETATM 0 H6 CFL A 9 4.306 9.078 4.192 1.00 0.00 H new HETATM 0 H5 CFL A 9 2.592 8.284 2.608 1.00 0.00 H new HETATM 0 H4' CFL A 9 8.307 9.160 6.349 1.00 0.00 H new HETATM 0 H3' CFL A 9 6.996 11.696 6.049 1.00 0.00 H new HETATM 0 H2' CFL A 9 7.297 11.544 3.326 1.00 0.00 H new HETATM 0 H1' CFL A 9 7.889 9.268 3.188 1.00 0.00 H new HETATM 280 F GF2 A 10 9.289 13.024 -1.802 1.00 0.00 F HETATM 281 P GF2 A 10 9.233 12.929 5.240 1.00 0.00 P HETATM 282 N1 GF2 A 10 5.459 10.170 -4.205 1.00 0.00 N HETATM 283 C2 GF2 A 10 6.802 10.364 -4.109 1.00 0.00 C HETATM 284 N2 GF2 A 10 7.513 10.255 -5.204 1.00 0.00 N HETATM 285 N3 GF2 A 10 7.436 10.718 -2.992 1.00 0.00 N HETATM 286 C4 GF2 A 10 6.590 10.931 -1.942 1.00 0.00 C HETATM 287 C5 GF2 A 10 5.218 10.783 -1.939 1.00 0.00 C HETATM 288 C6 GF2 A 10 4.574 10.341 -3.155 1.00 0.00 C HETATM 289 O6 GF2 A 10 3.384 10.141 -3.404 1.00 0.00 O HETATM 290 N7 GF2 A 10 4.709 11.169 -0.691 1.00 0.00 N HETATM 291 C8 GF2 A 10 5.767 11.520 -0.008 1.00 0.00 C HETATM 292 N9 GF2 A 10 6.948 11.397 -0.696 1.00 0.00 N HETATM 293 C1' GF2 A 10 8.337 11.712 -0.264 1.00 0.00 C HETATM 294 OP2 GF2 A 10 8.089 13.701 5.800 1.00 0.00 O HETATM 295 C2' GF2 A 10 8.776 13.149 -0.531 1.00 0.00 C HETATM 296 OP1 GF2 A 10 10.581 13.160 5.809 1.00 0.00 O HETATM 297 C3' GF2 A 10 9.756 13.434 0.616 1.00 0.00 C HETATM 298 O3' GF2 A 10 10.986 14.054 0.232 1.00 0.00 O HETATM 299 C4' GF2 A 10 9.855 12.098 1.348 1.00 0.00 C HETATM 300 O4' GF2 A 10 8.574 11.509 1.119 1.00 0.00 O HETATM 301 C5' GF2 A 10 10.198 12.207 2.853 1.00 0.00 C HETATM 302 O5' GF2 A 10 9.323 13.056 3.617 1.00 0.00 O HETATM 0 HN2A GF2 A 10 8.523 10.393 -5.172 1.00 0.00 H new HETATM 0 H5'A GF2 A 10 10.180 11.207 3.287 1.00 0.00 H new HETATM 0 HN2 GF2 A 10 7.056 10.032 -6.088 1.00 0.00 H new HETATM 0 HN1 GF2 A 10 5.081 9.881 -5.107 1.00 0.00 H new HETATM 0 H8 GF2 A 10 5.716 11.879 1.020 1.00 0.00 H new HETATM 0 H5' GF2 A 10 11.218 12.579 2.952 1.00 0.00 H new HETATM 0 H4' GF2 A 10 10.686 11.499 0.974 1.00 0.00 H new HETATM 0 H3' GF2 A 10 9.398 14.217 1.285 1.00 0.00 H new HETATM 0 H2' GF2 A 10 8.068 13.978 -0.530 1.00 0.00 H new HETATM 0 H1' GF2 A 10 8.908 11.011 -0.873 1.00 0.00 H new HETATM 313 P CFL A 11 11.075 15.599 -0.222 1.00 0.00 P HETATM 314 O1P CFL A 11 12.506 15.985 -0.230 1.00 0.00 O HETATM 315 O2P CFL A 11 10.178 16.327 0.700 1.00 0.00 O HETATM 316 O5' CFL A 11 10.536 15.707 -1.742 1.00 0.00 O HETATM 317 C5' CFL A 11 11.329 15.221 -2.826 1.00 0.00 C HETATM 318 C4' CFL A 11 10.740 15.301 -4.251 1.00 0.00 C HETATM 319 O4' CFL A 11 9.666 14.399 -4.440 1.00 0.00 O HETATM 320 C3' CFL A 11 10.264 16.673 -4.747 1.00 0.00 C HETATM 321 O3' CFL A 11 10.726 16.872 -6.098 1.00 0.00 O HETATM 322 C2' CFL A 11 8.750 16.572 -4.643 1.00 0.00 C HETATM 323 C1' CFL A 11 8.606 15.107 -5.062 1.00 0.00 C HETATM 324 N1 CFL A 11 7.303 14.511 -4.685 1.00 0.00 N HETATM 325 C2 CFL A 11 6.424 14.107 -5.690 1.00 0.00 C HETATM 326 O2 CFL A 11 6.733 14.169 -6.878 1.00 0.00 O HETATM 327 N3 CFL A 11 5.188 13.661 -5.370 1.00 0.00 N HETATM 328 C4 CFL A 11 4.836 13.602 -4.096 1.00 0.00 C HETATM 329 N4 CFL A 11 3.619 13.185 -3.862 1.00 0.00 N HETATM 330 C5 CFL A 11 5.720 13.944 -3.026 1.00 0.00 C HETATM 331 C6 CFL A 11 6.949 14.405 -3.369 1.00 0.00 C HETATM 332 F CFL A 11 8.294 16.834 -3.363 1.00 0.00 F HETATM 0 HN42 CFL A 11 3.280 13.114 -2.903 1.00 0.00 H new HETATM 0 HN41 CFL A 11 3.009 12.930 -4.639 1.00 0.00 H new HETATM 0 H5'2 CFL A 11 12.270 15.770 -2.823 1.00 0.00 H new HETATM 0 H5'1 CFL A 11 11.568 14.177 -2.622 1.00 0.00 H new HETATM 0 H6 CFL A 11 7.657 14.692 -2.592 1.00 0.00 H new HETATM 0 H5 CFL A 11 5.421 13.839 -1.983 1.00 0.00 H new HETATM 0 H4' CFL A 11 11.616 15.040 -4.845 1.00 0.00 H new HETATM 0 H3' CFL A 11 10.642 17.525 -4.182 1.00 0.00 H new HETATM 0 H2' CFL A 11 8.171 17.282 -5.233 1.00 0.00 H new HETATM 0 H1' CFL A 11 8.649 15.044 -6.149 1.00 0.00 H new HETATM 343 F GF2 A 12 5.141 20.254 -6.628 1.00 0.00 F HETATM 344 P GF2 A 12 10.372 18.172 -6.990 1.00 0.00 P HETATM 345 N1 GF2 A 12 0.999 15.448 -6.915 1.00 0.00 N HETATM 346 C2 GF2 A 12 1.694 15.872 -7.990 1.00 0.00 C HETATM 347 N2 GF2 A 12 1.087 15.736 -9.133 1.00 0.00 N HETATM 348 N3 GF2 A 12 2.882 16.441 -7.960 1.00 0.00 N HETATM 349 C4 GF2 A 12 3.369 16.560 -6.689 1.00 0.00 C HETATM 350 C5 GF2 A 12 2.757 16.180 -5.517 1.00 0.00 C HETATM 351 C6 GF2 A 12 1.454 15.554 -5.611 1.00 0.00 C HETATM 352 O6 GF2 A 12 0.685 15.138 -4.746 1.00 0.00 O HETATM 353 N7 GF2 A 12 3.564 16.566 -4.438 1.00 0.00 N HETATM 354 C8 GF2 A 12 4.593 17.158 -4.988 1.00 0.00 C HETATM 355 N9 GF2 A 12 4.540 17.191 -6.363 1.00 0.00 N HETATM 356 C1' GF2 A 12 5.285 17.943 -7.405 1.00 0.00 C HETATM 357 OP2 GF2 A 12 10.493 19.325 -6.084 1.00 0.00 O HETATM 358 C2' GF2 A 12 5.984 19.258 -7.088 1.00 0.00 C HETATM 359 OP1 GF2 A 12 11.266 18.112 -8.168 1.00 0.00 O HETATM 360 C3' GF2 A 12 6.445 19.516 -8.527 1.00 0.00 C HETATM 361 O3' GF2 A 12 5.291 19.811 -9.302 1.00 0.00 O HETATM 362 C4' GF2 A 12 6.941 18.121 -8.969 1.00 0.00 C HETATM 363 O4' GF2 A 12 6.242 17.192 -8.137 1.00 0.00 O HETATM 364 C5' GF2 A 12 8.457 17.914 -8.825 1.00 0.00 C HETATM 365 O5' GF2 A 12 8.849 17.999 -7.462 1.00 0.00 O HETATM 0 HO3' GF2 A 12 4.615 20.235 -8.733 1.00 0.00 H new HETATM 0 HN2A GF2 A 12 1.547 16.033 -9.993 1.00 0.00 H new HETATM 0 H5'A GF2 A 12 8.736 16.941 -9.229 1.00 0.00 H new HETATM 0 HN2 GF2 A 12 0.151 15.332 -9.169 1.00 0.00 H new HETATM 0 HN1 GF2 A 12 0.084 15.024 -7.071 1.00 0.00 H new HETATM 0 H8 GF2 A 12 5.414 17.585 -4.412 1.00 0.00 H new HETATM 0 H5' GF2 A 12 8.989 18.665 -9.409 1.00 0.00 H new HETATM 0 H4' GF2 A 12 6.746 17.990 -10.033 1.00 0.00 H new HETATM 0 H3' GF2 A 12 7.179 20.316 -8.626 1.00 0.00 H new HETATM 0 H2' GF2 A 12 6.731 19.234 -6.295 1.00 0.00 H new HETATM 0 H1' GF2 A 12 4.384 18.188 -7.967 1.00 0.00 H new TER 377 GF2 A 12 HETATM 378 N1 CFZ B 13 -3.132 13.494 -9.662 1.00 0.00 N HETATM 379 C2 CFZ B 13 -1.950 14.238 -9.475 1.00 0.00 C HETATM 380 O2 CFZ B 13 -1.403 14.767 -10.449 1.00 0.00 O HETATM 381 N3 CFZ B 13 -1.423 14.342 -8.197 1.00 0.00 N HETATM 382 C4 CFZ B 13 -2.016 13.689 -7.177 1.00 0.00 C HETATM 383 N4 CFZ B 13 -1.532 13.761 -5.949 1.00 0.00 N HETATM 384 C5 CFZ B 13 -3.199 12.915 -7.377 1.00 0.00 C HETATM 385 C6 CFZ B 13 -3.719 12.836 -8.619 1.00 0.00 C HETATM 386 C1' CFZ B 13 -3.755 13.422 -11.013 1.00 0.00 C HETATM 387 C2' CFZ B 13 -3.102 12.373 -11.913 1.00 0.00 C HETATM 388 F2' CFZ B 13 -2.253 13.174 -12.650 1.00 0.00 F HETATM 389 C3' CFZ B 13 -4.307 11.670 -12.550 1.00 0.00 C HETATM 390 O3' CFZ B 13 -4.092 11.174 -13.870 1.00 0.00 O HETATM 391 C4' CFZ B 13 -5.410 12.706 -12.361 1.00 0.00 C HETATM 392 O4' CFZ B 13 -5.146 13.148 -11.029 1.00 0.00 O HETATM 393 C5' CFZ B 13 -6.836 12.155 -12.479 1.00 0.00 C HETATM 394 O5' CFZ B 13 -7.132 11.273 -11.411 1.00 0.00 O HETATM 0 HN4A CFZ B 13 -1.993 13.261 -5.189 1.00 0.00 H new HETATM 0 H5'A CFZ B 13 -7.549 12.980 -12.482 1.00 0.00 H new HETATM 0 HN4 CFZ B 13 -0.698 14.317 -5.761 1.00 0.00 H new HETATM 0 H6 CFZ B 13 -4.616 12.241 -8.792 1.00 0.00 H new HETATM 0 H5' CFZ B 13 -6.950 11.632 -13.429 1.00 0.00 H new HETATM 0 H5 CFZ B 13 -3.673 12.398 -6.542 1.00 0.00 H new HETATM 0 H4' CFZ B 13 -5.387 13.475 -13.133 1.00 0.00 H new HETATM 0 H3' CFZ B 13 -4.564 10.718 -12.085 1.00 0.00 H new HETATM 0 H2' CFZ B 13 -2.492 11.548 -11.545 1.00 0.00 H new HETATM 0 H1' CFZ B 13 -3.590 14.433 -11.386 1.00 0.00 H new HETATM 406 F GF2 B 14 3.341 10.661 -12.940 1.00 0.00 F HETATM 407 P GF2 B 14 -3.332 9.765 -14.096 1.00 0.00 P HETATM 408 N1 GF2 B 14 3.708 13.042 -7.713 1.00 0.00 N HETATM 409 C2 GF2 B 14 4.166 13.160 -8.990 1.00 0.00 C HETATM 410 N2 GF2 B 14 5.382 13.615 -9.163 1.00 0.00 N HETATM 411 N3 GF2 B 14 3.468 12.816 -10.072 1.00 0.00 N HETATM 412 C4 GF2 B 14 2.235 12.320 -9.764 1.00 0.00 C HETATM 413 C5 GF2 B 14 1.678 12.167 -8.514 1.00 0.00 C HETATM 414 C6 GF2 B 14 2.456 12.565 -7.373 1.00 0.00 C HETATM 415 O6 GF2 B 14 2.164 12.546 -6.181 1.00 0.00 O HETATM 416 N7 GF2 B 14 0.397 11.615 -8.626 1.00 0.00 N HETATM 417 C8 GF2 B 14 0.239 11.444 -9.908 1.00 0.00 C HETATM 418 N9 GF2 B 14 1.312 11.847 -10.660 1.00 0.00 N HETATM 419 C1' GF2 B 14 1.531 11.705 -12.113 1.00 0.00 C HETATM 420 OP2 GF2 B 14 -3.817 8.778 -13.119 1.00 0.00 O HETATM 421 C2' GF2 B 14 2.097 10.332 -12.449 1.00 0.00 C HETATM 422 OP1 GF2 B 14 -3.295 9.387 -15.528 1.00 0.00 O HETATM 423 C3' GF2 B 14 1.068 9.713 -13.392 1.00 0.00 C HETATM 424 O3' GF2 B 14 1.610 8.776 -14.321 1.00 0.00 O HETATM 425 C4' GF2 B 14 0.420 10.984 -13.944 1.00 0.00 C HETATM 426 O4' GF2 B 14 0.294 11.802 -12.787 1.00 0.00 O HETATM 427 C5' GF2 B 14 -0.947 10.769 -14.590 1.00 0.00 C HETATM 428 O5' GF2 B 14 -1.811 10.069 -13.711 1.00 0.00 O HETATM 0 HN2A GF2 B 14 5.759 13.717 -10.105 1.00 0.00 H new HETATM 0 H5'A GF2 B 14 -1.387 11.731 -14.851 1.00 0.00 H new HETATM 0 HN2 GF2 B 14 5.952 13.867 -8.356 1.00 0.00 H new HETATM 0 HN1 GF2 B 14 4.331 13.325 -6.956 1.00 0.00 H new HETATM 0 H8 GF2 B 14 -0.665 11.019 -10.343 1.00 0.00 H new HETATM 0 H5' GF2 B 14 -0.832 10.209 -15.518 1.00 0.00 H new HETATM 0 H4' GF2 B 14 1.020 11.409 -14.749 1.00 0.00 H new HETATM 0 H3' GF2 B 14 0.339 9.043 -12.936 1.00 0.00 H new HETATM 0 H2' GF2 B 14 2.243 9.578 -11.676 1.00 0.00 H new HETATM 0 H1' GF2 B 14 2.225 12.488 -12.417 1.00 0.00 H new HETATM 439 P CFZ B 15 2.065 7.281 -13.866 1.00 0.00 P HETATM 440 N1 CFZ B 15 4.755 9.203 -9.074 1.00 0.00 N HETATM 441 C2 CFZ B 15 5.173 9.669 -7.826 1.00 0.00 C HETATM 442 O2 CFZ B 15 6.332 10.027 -7.642 1.00 0.00 O HETATM 443 N3 CFZ B 15 4.310 9.700 -6.782 1.00 0.00 N HETATM 444 C4 CFZ B 15 3.070 9.271 -6.956 1.00 0.00 C HETATM 445 N4 CFZ B 15 2.284 9.328 -5.908 1.00 0.00 N HETATM 446 C5 CFZ B 15 2.592 8.780 -8.213 1.00 0.00 C HETATM 447 C6 CFZ B 15 3.474 8.751 -9.247 1.00 0.00 C HETATM 448 C1' CFZ B 15 5.756 9.052 -10.163 1.00 0.00 C HETATM 449 O1P CFZ B 15 2.510 6.521 -15.049 1.00 0.00 O HETATM 450 C2' CFZ B 15 6.408 7.692 -10.111 1.00 0.00 C HETATM 451 F2' CFZ B 15 7.753 7.956 -10.008 1.00 0.00 F HETATM 452 O2P CFZ B 15 0.998 6.707 -13.025 1.00 0.00 O HETATM 453 C3' CFZ B 15 5.892 6.996 -11.374 1.00 0.00 C HETATM 454 O3' CFZ B 15 6.764 6.014 -11.916 1.00 0.00 O HETATM 455 C4' CFZ B 15 5.606 8.172 -12.290 1.00 0.00 C HETATM 456 O4' CFZ B 15 5.088 9.160 -11.412 1.00 0.00 O HETATM 457 C5' CFZ B 15 4.617 7.836 -13.419 1.00 0.00 C HETATM 458 O5' CFZ B 15 3.355 7.426 -12.905 1.00 0.00 O HETATM 0 HN4A CFZ B 15 1.317 9.012 -5.978 1.00 0.00 H new HETATM 0 H5'A CFZ B 15 4.484 8.709 -14.059 1.00 0.00 H new HETATM 0 HN4 CFZ B 15 2.640 9.688 -5.023 1.00 0.00 H new HETATM 0 H6 CFZ B 15 3.160 8.366 -10.218 1.00 0.00 H new HETATM 0 H5' CFZ B 15 5.031 7.044 -14.043 1.00 0.00 H new HETATM 0 H5 CFZ B 15 1.563 8.443 -8.336 1.00 0.00 H new HETATM 0 H4' CFZ B 15 6.500 8.496 -12.822 1.00 0.00 H new HETATM 0 H3' CFZ B 15 5.014 6.377 -11.189 1.00 0.00 H new HETATM 0 H2' CFZ B 15 6.187 7.018 -9.284 1.00 0.00 H new HETATM 0 H1' CFZ B 15 6.516 9.825 -10.043 1.00 0.00 H new HETATM 469 F GF2 B 16 10.343 5.346 -5.269 1.00 0.00 F HETATM 470 P GF2 B 16 6.820 4.532 -11.306 1.00 0.00 P HETATM 471 N1 GF2 B 16 6.256 7.329 -1.966 1.00 0.00 N HETATM 472 C2 GF2 B 16 7.585 7.346 -2.252 1.00 0.00 C HETATM 473 N2 GF2 B 16 8.410 7.604 -1.265 1.00 0.00 N HETATM 474 N3 GF2 B 16 8.103 7.109 -3.455 1.00 0.00 N HETATM 475 C4 GF2 B 16 7.147 6.872 -4.402 1.00 0.00 C HETATM 476 C5 GF2 B 16 5.780 6.831 -4.220 1.00 0.00 C HETATM 477 C6 GF2 B 16 5.269 7.045 -2.891 1.00 0.00 C HETATM 478 O6 GF2 B 16 4.114 7.014 -2.469 1.00 0.00 O HETATM 479 N7 GF2 B 16 5.142 6.564 -5.439 1.00 0.00 N HETATM 480 C8 GF2 B 16 6.127 6.445 -6.287 1.00 0.00 C HETATM 481 N9 GF2 B 16 7.370 6.597 -5.731 1.00 0.00 N HETATM 482 C1' GF2 B 16 8.685 6.377 -6.375 1.00 0.00 C HETATM 483 OP2 GF2 B 16 5.391 4.152 -11.138 1.00 0.00 O HETATM 484 C2' GF2 B 16 9.233 5.003 -6.011 1.00 0.00 C HETATM 485 OP1 GF2 B 16 7.696 3.718 -12.168 1.00 0.00 O HETATM 486 C3' GF2 B 16 9.388 4.277 -7.352 1.00 0.00 C HETATM 487 O3' GF2 B 16 10.493 3.371 -7.379 1.00 0.00 O HETATM 488 C4' GF2 B 16 9.404 5.433 -8.347 1.00 0.00 C HETATM 489 O4' GF2 B 16 8.507 6.373 -7.776 1.00 0.00 O HETATM 490 C5' GF2 B 16 8.933 5.060 -9.766 1.00 0.00 C HETATM 491 O5' GF2 B 16 7.538 4.738 -9.861 1.00 0.00 O HETATM 0 HN2A GF2 B 16 9.416 7.627 -1.434 1.00 0.00 H new HETATM 0 H5'A GF2 B 16 9.148 5.891 -10.438 1.00 0.00 H new HETATM 0 HN2 GF2 B 16 8.046 7.782 -0.329 1.00 0.00 H new HETATM 0 HN1 GF2 B 16 5.970 7.539 -1.010 1.00 0.00 H new HETATM 0 H8 GF2 B 16 5.974 6.242 -7.347 1.00 0.00 H new HETATM 0 H5' GF2 B 16 9.515 4.208 -10.117 1.00 0.00 H new HETATM 0 H4' GF2 B 16 10.422 5.795 -8.491 1.00 0.00 H new HETATM 0 H3' GF2 B 16 8.588 3.576 -7.591 1.00 0.00 H new HETATM 0 H2' GF2 B 16 8.662 4.296 -5.410 1.00 0.00 H new HETATM 0 H1' GF2 B 16 9.365 7.162 -6.045 1.00 0.00 H new HETATM 502 F AF2 B 17 10.514 2.976 0.192 1.00 0.00 F HETATM 503 P AF2 B 17 10.444 1.956 -6.595 1.00 0.00 P HETATM 504 N1 AF2 B 17 4.890 4.535 0.819 1.00 0.00 N HETATM 505 C2 AF2 B 17 6.138 4.543 1.272 1.00 0.00 C HETATM 506 N3 AF2 B 17 7.260 4.340 0.585 1.00 0.00 N HETATM 507 C4 AF2 B 17 7.010 4.100 -0.735 1.00 0.00 C HETATM 508 C5 AF2 B 17 5.782 4.053 -1.343 1.00 0.00 C HETATM 509 C6 AF2 B 17 4.688 4.301 -0.482 1.00 0.00 C HETATM 510 N6 AF2 B 17 3.420 4.354 -0.863 1.00 0.00 N HETATM 511 N7 AF2 B 17 5.909 3.772 -2.707 1.00 0.00 N HETATM 512 C8 AF2 B 17 7.199 3.652 -2.867 1.00 0.00 C HETATM 513 N9 AF2 B 17 7.936 3.849 -1.724 1.00 0.00 N HETATM 514 C1' AF2 B 17 9.413 3.799 -1.576 1.00 0.00 C HETATM 515 OP2 AF2 B 17 9.175 1.253 -6.862 1.00 0.00 O HETATM 516 C2' AF2 B 17 9.886 2.498 -0.940 1.00 0.00 C HETATM 517 OP1 AF2 B 17 11.662 1.155 -6.817 1.00 0.00 O HETATM 518 C3' AF2 B 17 10.733 1.823 -2.023 1.00 0.00 C HETATM 519 O3' AF2 B 17 11.783 0.989 -1.531 1.00 0.00 O HETATM 520 C4' AF2 B 17 11.158 3.021 -2.863 1.00 0.00 C HETATM 521 O4' AF2 B 17 9.985 3.828 -2.869 1.00 0.00 O HETATM 522 C5' AF2 B 17 11.549 2.659 -4.303 1.00 0.00 C HETATM 523 O5' AF2 B 17 10.406 2.222 -5.023 1.00 0.00 O HETATM 0 HN6A AF2 B 17 3.173 4.188 -1.839 1.00 0.00 H new HETATM 0 H5'A AF2 B 17 11.991 3.525 -4.797 1.00 0.00 H new HETATM 0 HN6 AF2 B 17 2.691 4.561 -0.181 1.00 0.00 H new HETATM 0 H8 AF2 B 17 7.654 3.415 -3.829 1.00 0.00 H new HETATM 0 H5' AF2 B 17 12.306 1.875 -4.296 1.00 0.00 H new HETATM 0 H4' AF2 B 17 12.048 3.499 -2.453 1.00 0.00 H new HETATM 0 H3' AF2 B 17 10.196 1.074 -2.605 1.00 0.00 H new HETATM 0 H2' AF2 B 17 9.179 1.728 -0.632 1.00 0.00 H new HETATM 0 H2 AF2 B 17 6.259 4.740 2.337 1.00 0.00 H new HETATM 0 H1' AF2 B 17 9.707 4.640 -0.949 1.00 0.00 H new HETATM 534 F AF2 B 18 8.165 0.668 4.913 1.00 0.00 F HETATM 535 P AF2 B 18 11.496 -0.538 -1.061 1.00 0.00 P HETATM 536 N1 AF2 B 18 2.845 1.930 3.226 1.00 0.00 N HETATM 537 C2 AF2 B 18 3.829 1.977 4.121 1.00 0.00 C HETATM 538 N3 AF2 B 18 5.130 1.799 3.914 1.00 0.00 N HETATM 539 C4 AF2 B 18 5.411 1.529 2.611 1.00 0.00 C HETATM 540 C5 AF2 B 18 4.516 1.431 1.583 1.00 0.00 C HETATM 541 C6 AF2 B 18 3.174 1.677 1.952 1.00 0.00 C HETATM 542 N6 AF2 B 18 2.170 1.656 1.092 1.00 0.00 N HETATM 543 N7 AF2 B 18 5.156 1.097 0.384 1.00 0.00 N HETATM 544 C8 AF2 B 18 6.412 1.021 0.732 1.00 0.00 C HETATM 545 N9 AF2 B 18 6.647 1.288 2.059 1.00 0.00 N HETATM 546 C1' AF2 B 18 7.941 1.316 2.777 1.00 0.00 C HETATM 547 OP2 AF2 B 18 10.662 -1.165 -2.112 1.00 0.00 O HETATM 548 C2' AF2 B 18 8.125 0.091 3.660 1.00 0.00 C HETATM 549 OP1 AF2 B 18 12.765 -1.174 -0.647 1.00 0.00 O HETATM 550 C3' AF2 B 18 9.382 -0.577 3.108 1.00 0.00 C HETATM 551 O3' AF2 B 18 10.124 -1.306 4.077 1.00 0.00 O HETATM 552 C4' AF2 B 18 10.091 0.603 2.468 1.00 0.00 C HETATM 553 O4' AF2 B 18 9.000 1.267 1.841 1.00 0.00 O HETATM 554 C5' AF2 B 18 11.169 0.209 1.448 1.00 0.00 C HETATM 555 O5' AF2 B 18 10.608 -0.368 0.276 1.00 0.00 O HETATM 0 HN6A AF2 B 18 2.348 1.469 0.105 1.00 0.00 H new HETATM 0 H5'A AF2 B 18 11.750 1.090 1.176 1.00 0.00 H new HETATM 0 HN6 AF2 B 18 1.218 1.826 1.415 1.00 0.00 H new HETATM 0 H8 AF2 B 18 7.206 0.767 0.030 1.00 0.00 H new HETATM 0 H5' AF2 B 18 11.860 -0.499 1.906 1.00 0.00 H new HETATM 0 H4' AF2 B 18 10.651 1.200 3.188 1.00 0.00 H new HETATM 0 H3' AF2 B 18 9.192 -1.381 2.396 1.00 0.00 H new HETATM 0 H2' AF2 B 18 7.383 -0.707 3.695 1.00 0.00 H new HETATM 0 H2 AF2 B 18 3.532 2.187 5.149 1.00 0.00 H new HETATM 0 H1' AF2 B 18 7.946 2.226 3.377 1.00 0.00 H new HETATM 566 P TAF B 19 9.620 -2.738 4.613 1.00 0.00 P HETATM 567 OP1 TAF B 19 10.659 -3.220 5.537 1.00 0.00 O HETATM 568 OP2 TAF B 19 9.385 -3.509 3.372 1.00 0.00 O HETATM 569 O5' TAF B 19 8.232 -2.492 5.415 1.00 0.00 O HETATM 570 N1 TAF B 19 3.855 -1.069 5.196 1.00 0.00 N HETATM 571 C6 TAF B 19 4.401 -1.524 4.015 1.00 0.00 C HETATM 572 C2 TAF B 19 2.484 -0.807 5.303 1.00 0.00 C HETATM 573 O2 TAF B 19 1.950 -0.424 6.338 1.00 0.00 O HETATM 574 N3 TAF B 19 1.723 -1.014 4.173 1.00 0.00 N HETATM 575 C4 TAF B 19 2.193 -1.462 2.955 1.00 0.00 C HETATM 576 O4 TAF B 19 1.391 -1.613 2.037 1.00 0.00 O HETATM 577 C5 TAF B 19 3.632 -1.718 2.911 1.00 0.00 C HETATM 578 C5M TAF B 19 4.286 -2.205 1.631 1.00 0.00 C HETATM 579 F2' TAF B 19 4.404 -3.396 6.341 1.00 0.00 F HETATM 580 C2' TAF B 19 4.627 -2.325 7.196 1.00 0.00 C HETATM 581 C5' TAF B 19 8.231 -1.814 6.673 1.00 0.00 C HETATM 582 C4' TAF B 19 6.850 -1.361 7.194 1.00 0.00 C HETATM 583 O4' TAF B 19 6.059 -0.779 6.163 1.00 0.00 O HETATM 584 C1' TAF B 19 4.684 -1.005 6.433 1.00 0.00 C HETATM 585 C3' TAF B 19 6.010 -2.465 7.851 1.00 0.00 C HETATM 586 O3' TAF B 19 5.976 -2.324 9.284 1.00 0.00 O HETATM 0 H5'' TAF B 19 8.681 -2.470 7.418 1.00 0.00 H new HETATM 0 H73 TAF B 19 5.042 -1.487 1.313 1.00 0.00 H new HETATM 0 H72 TAF B 19 4.756 -3.172 1.808 1.00 0.00 H new HETATM 0 H71 TAF B 19 3.530 -2.306 0.852 1.00 0.00 H new HETATM 0 H6 TAF B 19 5.470 -1.732 3.965 1.00 0.00 H new HETATM 0 H5' TAF B 19 8.873 -0.937 6.591 1.00 0.00 H new HETATM 0 H4' TAF B 19 7.102 -0.629 7.962 1.00 0.00 H new HETATM 0 H3' TAF B 19 6.423 -3.462 7.697 1.00 0.00 H new HETATM 0 H3 TAF B 19 0.724 -0.819 4.243 1.00 0.00 H new HETATM 0 H2' TAF B 19 3.812 -2.328 7.920 1.00 0.00 H new HETATM 0 H1' TAF B 19 4.269 -0.177 7.008 1.00 0.00 H new HETATM 598 P UFT B 20 5.429 -3.492 10.275 1.00 0.00 P HETATM 599 OP1 UFT B 20 5.638 -3.161 11.694 1.00 0.00 O HETATM 600 OP2 UFT B 20 5.889 -4.825 9.840 1.00 0.00 O HETATM 601 O5' UFT B 20 3.843 -3.582 10.119 1.00 0.00 O HETATM 602 N1 UFT B 20 0.133 -3.506 6.950 1.00 0.00 N HETATM 603 C6 UFT B 20 1.184 -4.019 6.221 1.00 0.00 C HETATM 604 C2 UFT B 20 -1.136 -3.395 6.376 1.00 0.00 C HETATM 605 O2 UFT B 20 -2.122 -2.993 6.983 1.00 0.00 O HETATM 606 N3 UFT B 20 -1.260 -3.770 5.061 1.00 0.00 N HETATM 607 C4 UFT B 20 -0.259 -4.248 4.253 1.00 0.00 C HETATM 608 O4 UFT B 20 -0.517 -4.555 3.095 1.00 0.00 O HETATM 609 C5 UFT B 20 1.024 -4.374 4.916 1.00 0.00 C HETATM 610 F2' UFT B 20 -1.399 -4.051 9.550 1.00 0.00 F HETATM 611 C2' UFT B 20 -0.075 -4.297 9.305 1.00 0.00 C HETATM 612 C5' UFT B 20 2.984 -2.612 10.695 1.00 0.00 C HETATM 613 C4' UFT B 20 1.557 -2.788 10.174 1.00 0.00 C HETATM 614 O4' UFT B 20 1.564 -2.742 8.750 1.00 0.00 O HETATM 615 C1' UFT B 20 0.263 -3.126 8.383 1.00 0.00 C HETATM 616 C3' UFT B 20 0.914 -4.149 10.466 1.00 0.00 C HETATM 617 O3' UFT B 20 0.360 -4.364 11.767 1.00 0.00 O HETATM 0 H5'A UFT B 20 2.996 -2.705 11.781 1.00 0.00 H new HETATM 0 HN3 UFT B 20 -2.187 -3.685 4.644 1.00 0.00 H new HETATM 0 H6 UFT B 20 2.157 -4.142 6.696 1.00 0.00 H new HETATM 0 H5' UFT B 20 3.344 -1.611 10.457 1.00 0.00 H new HETATM 0 H5 UFT B 20 1.877 -4.761 4.359 1.00 0.00 H new HETATM 0 H4' UFT B 20 1.002 -1.995 10.675 1.00 0.00 H new HETATM 0 H3' UFT B 20 1.667 -4.936 10.513 1.00 0.00 H new HETATM 0 H2' UFT B 20 0.025 -5.331 8.974 1.00 0.00 H new HETATM 0 H1' UFT B 20 -0.427 -2.289 8.493 1.00 0.00 H new HETATM 627 P CFL B 21 -0.164 -5.824 12.241 1.00 0.00 P HETATM 628 O1P CFL B 21 -0.419 -5.812 13.702 1.00 0.00 O HETATM 629 O2P CFL B 21 0.764 -6.829 11.684 1.00 0.00 O HETATM 630 O5' CFL B 21 -1.621 -6.022 11.571 1.00 0.00 O HETATM 631 C5' CFL B 21 -2.706 -5.175 11.947 1.00 0.00 C HETATM 632 C4' CFL B 21 -4.027 -5.402 11.190 1.00 0.00 C HETATM 633 O4' CFL B 21 -3.921 -5.105 9.806 1.00 0.00 O HETATM 634 C3' CFL B 21 -4.609 -6.813 11.339 1.00 0.00 C HETATM 635 O3' CFL B 21 -5.919 -6.780 11.923 1.00 0.00 O HETATM 636 C2' CFL B 21 -4.583 -7.374 9.926 1.00 0.00 C HETATM 637 C1' CFL B 21 -4.575 -6.115 9.061 1.00 0.00 C HETATM 638 N1 CFL B 21 -3.921 -6.291 7.732 1.00 0.00 N HETATM 639 C2 CFL B 21 -4.725 -6.396 6.596 1.00 0.00 C HETATM 640 O2 CFL B 21 -5.949 -6.314 6.670 1.00 0.00 O HETATM 641 N3 CFL B 21 -4.169 -6.616 5.380 1.00 0.00 N HETATM 642 C4 CFL B 21 -2.857 -6.740 5.284 1.00 0.00 C HETATM 643 N4 CFL B 21 -2.390 -6.935 4.074 1.00 0.00 N HETATM 644 C5 CFL B 21 -1.981 -6.641 6.412 1.00 0.00 C HETATM 645 C6 CFL B 21 -2.558 -6.420 7.622 1.00 0.00 C HETATM 646 F CFL B 21 -3.423 -8.074 9.714 1.00 0.00 F HETATM 0 HN42 CFL B 21 -1.386 -7.039 3.925 1.00 0.00 H new HETATM 0 HN41 CFL B 21 -3.031 -6.982 3.282 1.00 0.00 H new HETATM 0 H5'2 CFL B 21 -2.893 -5.307 13.013 1.00 0.00 H new HETATM 0 H5'1 CFL B 21 -2.400 -4.139 11.803 1.00 0.00 H new HETATM 0 H6 CFL B 21 -1.934 -6.344 8.513 1.00 0.00 H new HETATM 0 H5 CFL B 21 -0.901 -6.738 6.305 1.00 0.00 H new HETATM 0 H4' CFL B 21 -4.713 -4.703 11.669 1.00 0.00 H new HETATM 0 H3' CFL B 21 -4.040 -7.445 12.021 1.00 0.00 H new HETATM 0 H2' CFL B 21 -5.411 -8.052 9.719 1.00 0.00 H new HETATM 0 H1' CFL B 21 -5.607 -5.852 8.829 1.00 0.00 H new HETATM 657 F GF2 B 22 -8.322 -11.947 7.171 1.00 0.00 F HETATM 658 P GF2 B 22 -6.580 -8.076 12.642 1.00 0.00 P HETATM 659 N1 GF2 B 22 -6.112 -10.594 2.513 1.00 0.00 N HETATM 660 C2 GF2 B 22 -7.317 -10.604 3.144 1.00 0.00 C HETATM 661 N2 GF2 B 22 -8.375 -10.929 2.445 1.00 0.00 N HETATM 662 N3 GF2 B 22 -7.486 -10.360 4.439 1.00 0.00 N HETATM 663 C4 GF2 B 22 -6.309 -10.147 5.099 1.00 0.00 C HETATM 664 C5 GF2 B 22 -5.040 -10.133 4.565 1.00 0.00 C HETATM 665 C6 GF2 B 22 -4.906 -10.339 3.142 1.00 0.00 C HETATM 666 O6 GF2 B 22 -3.901 -10.354 2.431 1.00 0.00 O HETATM 667 N7 GF2 B 22 -4.102 -9.955 5.591 1.00 0.00 N HETATM 668 C8 GF2 B 22 -4.826 -9.854 6.675 1.00 0.00 C HETATM 669 N9 GF2 B 22 -6.177 -9.956 6.452 1.00 0.00 N HETATM 670 C1' GF2 B 22 -7.315 -9.983 7.398 1.00 0.00 C HETATM 671 OP2 GF2 B 22 -5.499 -8.785 13.361 1.00 0.00 O HETATM 672 C2' GF2 B 22 -7.513 -11.323 8.093 1.00 0.00 C HETATM 673 OP1 GF2 B 22 -7.793 -7.654 13.369 1.00 0.00 O HETATM 674 C3' GF2 B 22 -8.127 -10.906 9.429 1.00 0.00 C HETATM 675 O3' GF2 B 22 -9.280 -11.643 9.827 1.00 0.00 O HETATM 676 C4' GF2 B 22 -8.296 -9.392 9.308 1.00 0.00 C HETATM 677 O4' GF2 B 22 -7.245 -9.016 8.421 1.00 0.00 O HETATM 678 C5' GF2 B 22 -8.218 -8.653 10.652 1.00 0.00 C HETATM 679 O5' GF2 B 22 -7.059 -8.995 11.405 1.00 0.00 O HETATM 0 HN2A GF2 B 22 -9.294 -10.946 2.888 1.00 0.00 H new HETATM 0 H5'A GF2 B 22 -8.224 -7.578 10.471 1.00 0.00 H new HETATM 0 HN2 GF2 B 22 -8.281 -11.165 1.457 1.00 0.00 H new HETATM 0 HN1 GF2 B 22 -6.096 -10.787 1.512 1.00 0.00 H new HETATM 0 H8 GF2 B 22 -4.396 -9.703 7.665 1.00 0.00 H new HETATM 0 H5' GF2 B 22 -9.107 -8.882 11.239 1.00 0.00 H new HETATM 0 H4' GF2 B 22 -9.286 -9.121 8.942 1.00 0.00 H new HETATM 0 H3' GF2 B 22 -7.481 -11.156 10.270 1.00 0.00 H new HETATM 0 H2' GF2 B 22 -6.689 -11.994 8.335 1.00 0.00 H new HETATM 0 H1' GF2 B 22 -8.154 -9.769 6.736 1.00 0.00 H new HETATM 690 P CFL B 23 -9.207 -13.198 10.253 1.00 0.00 P HETATM 691 O1P CFL B 23 -10.430 -13.463 11.029 1.00 0.00 O HETATM 692 O2P CFL B 23 -7.913 -13.317 10.963 1.00 0.00 O HETATM 693 O5' CFL B 23 -9.216 -14.090 8.894 1.00 0.00 O HETATM 694 C5' CFL B 23 -10.402 -14.188 8.103 1.00 0.00 C HETATM 695 C4' CFL B 23 -10.333 -14.943 6.753 1.00 0.00 C HETATM 696 O4' CFL B 23 -9.486 -14.290 5.817 1.00 0.00 O HETATM 697 C3' CFL B 23 -9.909 -16.423 6.750 1.00 0.00 C HETATM 698 O3' CFL B 23 -10.736 -17.151 5.809 1.00 0.00 O HETATM 699 C2' CFL B 23 -8.448 -16.354 6.341 1.00 0.00 C HETATM 700 C1' CFL B 23 -8.583 -15.253 5.289 1.00 0.00 C HETATM 701 N1 CFL B 23 -7.300 -14.609 4.916 1.00 0.00 N HETATM 702 C2 CFL B 23 -6.869 -14.674 3.589 1.00 0.00 C HETATM 703 O2 CFL B 23 -7.547 -15.215 2.719 1.00 0.00 O HETATM 704 N3 CFL B 23 -5.669 -14.152 3.237 1.00 0.00 N HETATM 705 C4 CFL B 23 -4.929 -13.562 4.160 1.00 0.00 C HETATM 706 N4 CFL B 23 -3.779 -13.086 3.752 1.00 0.00 N HETATM 707 C5 CFL B 23 -5.352 -13.414 5.517 1.00 0.00 C HETATM 708 C6 CFL B 23 -6.544 -13.968 5.857 1.00 0.00 C HETATM 709 F CFL B 23 -7.614 -16.042 7.396 1.00 0.00 F HETATM 0 HN42 CFL B 23 -3.158 -12.618 4.412 1.00 0.00 H new HETATM 0 HN41 CFL B 23 -3.505 -13.183 2.774 1.00 0.00 H new HETATM 0 H5'2 CFL B 23 -11.167 -14.669 8.712 1.00 0.00 H new HETATM 0 H5'1 CFL B 23 -10.748 -13.175 7.898 1.00 0.00 H new HETATM 0 H6 CFL B 23 -6.900 -13.901 6.885 1.00 0.00 H new HETATM 0 H5 CFL B 23 -4.744 -12.880 6.247 1.00 0.00 H new HETATM 0 H4' CFL B 23 -11.389 -14.925 6.483 1.00 0.00 H new HETATM 0 H3' CFL B 23 -10.029 -16.945 7.699 1.00 0.00 H new HETATM 0 H2' CFL B 23 -7.990 -17.278 5.987 1.00 0.00 H new HETATM 0 H1' CFL B 23 -8.947 -15.701 4.364 1.00 0.00 H new HETATM 720 F GF2 B 24 -5.042 -20.212 5.357 1.00 0.00 F HETATM 721 P GF2 B 24 -10.493 -18.695 5.377 1.00 0.00 P HETATM 722 N1 GF2 B 24 -1.873 -16.383 1.210 1.00 0.00 N HETATM 723 C2 GF2 B 24 -2.885 -17.143 0.740 1.00 0.00 C HETATM 724 N2 GF2 B 24 -2.861 -17.367 -0.548 1.00 0.00 N HETATM 725 N3 GF2 B 24 -3.898 -17.597 1.461 1.00 0.00 N HETATM 726 C4 GF2 B 24 -3.845 -17.173 2.761 1.00 0.00 C HETATM 727 C5 GF2 B 24 -2.880 -16.382 3.344 1.00 0.00 C HETATM 728 C6 GF2 B 24 -1.786 -15.930 2.514 1.00 0.00 C HETATM 729 O6 GF2 B 24 -0.799 -15.244 2.773 1.00 0.00 O HETATM 730 N7 GF2 B 24 -3.169 -16.233 4.706 1.00 0.00 N HETATM 731 C8 GF2 B 24 -4.257 -16.933 4.890 1.00 0.00 C HETATM 732 N9 GF2 B 24 -4.718 -17.552 3.751 1.00 0.00 N HETATM 733 C1' GF2 B 24 -5.638 -18.698 3.530 1.00 0.00 C HETATM 734 OP2 GF2 B 24 -10.222 -19.492 6.588 1.00 0.00 O HETATM 735 C2' GF2 B 24 -6.077 -19.581 4.691 1.00 0.00 C HETATM 736 OP1 GF2 B 24 -11.630 -19.178 4.564 1.00 0.00 O HETATM 737 C3' GF2 B 24 -6.884 -20.565 3.839 1.00 0.00 C HETATM 738 O3' GF2 B 24 -5.958 -21.332 3.080 1.00 0.00 O HETATM 739 C4' GF2 B 24 -7.612 -19.624 2.850 1.00 0.00 C HETATM 740 O4' GF2 B 24 -6.854 -18.409 2.856 1.00 0.00 O HETATM 741 C5' GF2 B 24 -9.083 -19.345 3.202 1.00 0.00 C HETATM 742 O5' GF2 B 24 -9.171 -18.707 4.467 1.00 0.00 O HETATM 0 HO3' GF2 B 24 -5.133 -21.451 3.595 1.00 0.00 H new HETATM 0 HN2A GF2 B 24 -3.591 -17.933 -0.981 1.00 0.00 H new HETATM 0 H5'A GF2 B 24 -9.535 -18.714 2.436 1.00 0.00 H new HETATM 0 HN2 GF2 B 24 -2.112 -16.976 -1.120 1.00 0.00 H new HETATM 0 HN1 GF2 B 24 -1.127 -16.127 0.564 1.00 0.00 H new HETATM 0 H8 GF2 B 24 -4.753 -17.019 5.857 1.00 0.00 H new HETATM 0 H5' GF2 B 24 -9.644 -20.279 3.218 1.00 0.00 H new HETATM 0 H4' GF2 B 24 -7.661 -20.098 1.870 1.00 0.00 H new HETATM 0 H3' GF2 B 24 -7.539 -21.223 4.410 1.00 0.00 H new HETATM 0 H2' GF2 B 24 -6.578 -19.071 5.514 1.00 0.00 H new HETATM 0 H1' GF2 B 24 -4.912 -19.244 2.927 1.00 0.00 H new TER 754 GF2 B 24