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 27:sc= -0.155 USER MOD Single : B 24 GF2 O3' : rot 22:sc= -0.102 USER MOD ----------------------------------------------------------------- HETATM 1 N1 CFZ A 1 1.078 -16.321 -3.128 1.00 0.00 N HETATM 2 C2 CFZ A 1 0.030 -16.758 -2.293 1.00 0.00 C HETATM 3 O2 CFZ A 1 -0.776 -17.597 -2.708 1.00 0.00 O HETATM 4 N3 CFZ A 1 -0.066 -16.227 -1.018 1.00 0.00 N HETATM 5 C4 CFZ A 1 0.821 -15.298 -0.615 1.00 0.00 C HETATM 6 N4 CFZ A 1 0.763 -14.798 0.605 1.00 0.00 N HETATM 7 C5 CFZ A 1 1.873 -14.847 -1.469 1.00 0.00 C HETATM 8 C6 CFZ A 1 1.963 -15.371 -2.708 1.00 0.00 C HETATM 9 C1' CFZ A 1 1.221 -16.879 -4.498 1.00 0.00 C HETATM 10 C2' CFZ A 1 0.397 -16.116 -5.532 1.00 0.00 C HETATM 11 F2' CFZ A 1 -0.676 -16.975 -5.659 1.00 0.00 F HETATM 12 C3' CFZ A 1 1.395 -15.895 -6.678 1.00 0.00 C HETATM 13 O3' CFZ A 1 0.841 -15.869 -7.988 1.00 0.00 O HETATM 14 C4' CFZ A 1 2.413 -16.994 -6.396 1.00 0.00 C HETATM 15 O4' CFZ A 1 2.550 -16.906 -4.981 1.00 0.00 O HETATM 16 C5' CFZ A 1 3.752 -16.831 -7.125 1.00 0.00 C HETATM 17 O5' CFZ A 1 4.393 -15.606 -6.807 1.00 0.00 O HETATM 0 HN4A CFZ A 1 1.440 -14.095 0.901 1.00 0.00 H new HETATM 0 H5'A CFZ A 1 4.409 -17.661 -6.863 1.00 0.00 H new HETATM 0 HN4 CFZ A 1 0.041 -15.115 1.252 1.00 0.00 H new HETATM 0 H6 CFZ A 1 2.751 -15.032 -3.381 1.00 0.00 H new HETATM 0 H5' CFZ A 1 3.586 -16.883 -8.201 1.00 0.00 H new HETATM 0 H5 CFZ A 1 2.586 -14.097 -1.127 1.00 0.00 H new HETATM 0 H4' CFZ A 1 2.083 -17.967 -6.760 1.00 0.00 H new HETATM 0 H3' CFZ A 1 1.833 -14.897 -6.690 1.00 0.00 H new HETATM 0 H2' CFZ A 1 -0.022 -15.123 -5.369 1.00 0.00 H new HETATM 0 H1' CFZ A 1 0.859 -17.900 -4.382 1.00 0.00 H new HETATM 29 F GF2 A 2 -6.213 -14.365 -5.706 1.00 0.00 F HETATM 30 P GF2 A 2 -0.008 -14.605 -8.508 1.00 0.00 P HETATM 31 N1 GF2 A 2 -5.078 -14.253 0.005 1.00 0.00 N HETATM 32 C2 GF2 A 2 -5.885 -14.797 -0.950 1.00 0.00 C HETATM 33 N2 GF2 A 2 -7.111 -15.098 -0.608 1.00 0.00 N HETATM 34 N3 GF2 A 2 -5.521 -14.998 -2.216 1.00 0.00 N HETATM 35 C4 GF2 A 2 -4.248 -14.585 -2.469 1.00 0.00 C HETATM 36 C5 GF2 A 2 -3.348 -14.042 -1.576 1.00 0.00 C HETATM 37 C6 GF2 A 2 -3.768 -13.870 -0.209 1.00 0.00 C HETATM 38 O6 GF2 A 2 -3.142 -13.448 0.762 1.00 0.00 O HETATM 39 N7 GF2 A 2 -2.148 -13.747 -2.231 1.00 0.00 N HETATM 40 C8 GF2 A 2 -2.371 -14.091 -3.469 1.00 0.00 C HETATM 41 N9 GF2 A 2 -3.617 -14.620 -3.689 1.00 0.00 N HETATM 42 C1' GF2 A 2 -4.218 -15.094 -4.957 1.00 0.00 C HETATM 43 OP2 GF2 A 2 0.625 -13.328 -8.122 1.00 0.00 O HETATM 44 C2' GF2 A 2 -4.892 -13.970 -5.732 1.00 0.00 C HETATM 45 OP1 GF2 A 2 -0.352 -14.723 -9.939 1.00 0.00 O HETATM 46 C3' GF2 A 2 -4.156 -13.925 -7.072 1.00 0.00 C HETATM 47 O3' GF2 A 2 -4.949 -13.488 -8.176 1.00 0.00 O HETATM 48 C4' GF2 A 2 -3.613 -15.352 -7.132 1.00 0.00 C HETATM 49 O4' GF2 A 2 -3.198 -15.595 -5.794 1.00 0.00 O HETATM 50 C5' GF2 A 2 -2.428 -15.522 -8.081 1.00 0.00 C HETATM 51 O5' GF2 A 2 -1.388 -14.637 -7.718 1.00 0.00 O HETATM 0 HN2A GF2 A 2 -7.746 -15.507 -1.294 1.00 0.00 H new HETATM 0 H5'A GF2 A 2 -2.069 -16.551 -8.048 1.00 0.00 H new HETATM 0 HN2 GF2 A 2 -7.432 -14.924 0.344 1.00 0.00 H new HETATM 0 HN1 GF2 A 2 -5.467 -14.120 0.939 1.00 0.00 H new HETATM 0 H8 GF2 A 2 -1.631 -13.969 -4.260 1.00 0.00 H new HETATM 0 H5' GF2 A 2 -2.742 -15.327 -9.106 1.00 0.00 H new HETATM 0 H4' GF2 A 2 -4.367 -16.042 -7.512 1.00 0.00 H new HETATM 0 H3' GF2 A 2 -3.373 -13.170 -7.145 1.00 0.00 H new HETATM 0 H2' GF2 A 2 -4.857 -12.942 -5.372 1.00 0.00 H new HETATM 0 H1' GF2 A 2 -4.956 -15.851 -4.692 1.00 0.00 H new HETATM 62 P CFZ A 3 -5.336 -11.928 -8.402 1.00 0.00 P HETATM 63 N1 CFZ A 3 -6.482 -11.271 -2.672 1.00 0.00 N HETATM 64 C2 CFZ A 3 -6.509 -11.158 -1.280 1.00 0.00 C HETATM 65 O2 CFZ A 3 -7.563 -11.248 -0.658 1.00 0.00 O HETATM 66 N3 CFZ A 3 -5.368 -10.906 -0.594 1.00 0.00 N HETATM 67 C4 CFZ A 3 -4.233 -10.753 -1.258 1.00 0.00 C HETATM 68 N4 CFZ A 3 -3.160 -10.527 -0.539 1.00 0.00 N HETATM 69 C5 CFZ A 3 -4.152 -10.865 -2.683 1.00 0.00 C HETATM 70 C6 CFZ A 3 -5.306 -11.110 -3.353 1.00 0.00 C HETATM 71 C1' CFZ A 3 -7.766 -11.408 -3.413 1.00 0.00 C HETATM 72 O1P CFZ A 3 -6.193 -11.799 -9.594 1.00 0.00 O HETATM 73 C2' CFZ A 3 -8.313 -10.056 -3.805 1.00 0.00 C HETATM 74 F2' CFZ A 3 -9.613 -10.060 -3.354 1.00 0.00 F HETATM 75 O2P CFZ A 3 -4.101 -11.105 -8.350 1.00 0.00 O HETATM 76 C3' CFZ A 3 -8.089 -9.950 -5.319 1.00 0.00 C HETATM 77 O3' CFZ A 3 -8.977 -9.045 -5.986 1.00 0.00 O HETATM 78 C4' CFZ A 3 -8.201 -11.436 -5.676 1.00 0.00 C HETATM 79 O4' CFZ A 3 -7.534 -12.114 -4.620 1.00 0.00 O HETATM 80 C5' CFZ A 3 -7.600 -11.827 -7.032 1.00 0.00 C HETATM 81 O5' CFZ A 3 -6.219 -11.489 -7.125 1.00 0.00 O HETATM 0 HN4A CFZ A 3 -2.257 -10.401 -0.996 1.00 0.00 H new HETATM 0 H5'A CFZ A 3 -7.721 -12.899 -7.186 1.00 0.00 H new HETATM 0 HN4 CFZ A 3 -3.228 -10.477 0.477 1.00 0.00 H new HETATM 0 H6 CFZ A 3 -5.296 -11.179 -4.441 1.00 0.00 H new HETATM 0 H5' CFZ A 3 -8.150 -11.326 -7.829 1.00 0.00 H new HETATM 0 H5 CFZ A 3 -3.203 -10.758 -3.208 1.00 0.00 H new HETATM 0 H4' CFZ A 3 -9.253 -11.704 -5.780 1.00 0.00 H new HETATM 0 H3' CFZ A 3 -7.152 -9.495 -5.641 1.00 0.00 H new HETATM 0 H2' CFZ A 3 -7.846 -9.169 -3.377 1.00 0.00 H new HETATM 0 H1' CFZ A 3 -8.470 -11.927 -2.762 1.00 0.00 H new HETATM 92 F GF2 A 4 -10.616 -5.580 0.528 1.00 0.00 F HETATM 93 P GF2 A 4 -8.800 -7.430 -5.879 1.00 0.00 P HETATM 94 N1 GF2 A 4 -5.711 -6.661 3.053 1.00 0.00 N HETATM 95 C2 GF2 A 4 -7.065 -6.596 3.181 1.00 0.00 C HETATM 96 N2 GF2 A 4 -7.549 -6.306 4.365 1.00 0.00 N HETATM 97 N3 GF2 A 4 -7.924 -6.768 2.178 1.00 0.00 N HETATM 98 C4 GF2 A 4 -7.308 -7.065 0.997 1.00 0.00 C HETATM 99 C5 GF2 A 4 -5.951 -7.150 0.760 1.00 0.00 C HETATM 100 C6 GF2 A 4 -5.056 -6.901 1.857 1.00 0.00 C HETATM 101 O6 GF2 A 4 -3.827 -6.867 1.877 1.00 0.00 O HETATM 102 N7 GF2 A 4 -5.716 -7.458 -0.585 1.00 0.00 N HETATM 103 C8 GF2 A 4 -6.913 -7.538 -1.098 1.00 0.00 C HETATM 104 N9 GF2 A 4 -7.928 -7.302 -0.206 1.00 0.00 N HETATM 105 C1' GF2 A 4 -9.377 -7.165 -0.487 1.00 0.00 C HETATM 106 OP2 GF2 A 4 -7.370 -7.085 -6.000 1.00 0.00 O HETATM 107 C2' GF2 A 4 -9.764 -5.696 -0.545 1.00 0.00 C HETATM 108 OP1 GF2 A 4 -9.757 -6.719 -6.745 1.00 0.00 O HETATM 109 C3' GF2 A 4 -10.281 -5.498 -1.967 1.00 0.00 C HETATM 110 O3' GF2 A 4 -11.267 -4.474 -2.101 1.00 0.00 O HETATM 111 C4' GF2 A 4 -10.645 -6.914 -2.399 1.00 0.00 C HETATM 112 O4' GF2 A 4 -9.637 -7.699 -1.772 1.00 0.00 O HETATM 113 C5' GF2 A 4 -10.565 -7.130 -3.919 1.00 0.00 C HETATM 114 O5' GF2 A 4 -9.223 -6.991 -4.388 1.00 0.00 O HETATM 0 HN2A GF2 A 4 -8.558 -6.248 4.503 1.00 0.00 H new HETATM 0 H5'A GF2 A 4 -10.940 -8.123 -4.169 1.00 0.00 H new HETATM 0 HN2 GF2 A 4 -6.916 -6.139 5.148 1.00 0.00 H new HETATM 0 HN1 GF2 A 4 -5.144 -6.524 3.890 1.00 0.00 H new HETATM 0 H8 GF2 A 4 -7.091 -7.773 -2.147 1.00 0.00 H new HETATM 0 H5' GF2 A 4 -11.207 -6.410 -4.426 1.00 0.00 H new HETATM 0 H4' GF2 A 4 -11.672 -7.157 -2.127 1.00 0.00 H new HETATM 0 H3' GF2 A 4 -9.549 -5.075 -2.655 1.00 0.00 H new HETATM 0 H2' GF2 A 4 -9.024 -4.905 -0.426 1.00 0.00 H new HETATM 0 H1' GF2 A 4 -9.935 -7.679 0.296 1.00 0.00 H new HETATM 125 F AF2 A 5 -9.186 -1.184 4.323 1.00 0.00 F HETATM 126 P AF2 A 5 -10.835 -2.916 -2.143 1.00 0.00 P HETATM 127 N1 AF2 A 5 -3.623 -3.282 4.130 1.00 0.00 N HETATM 128 C2 AF2 A 5 -4.679 -2.942 4.865 1.00 0.00 C HETATM 129 N3 AF2 A 5 -5.948 -2.857 4.474 1.00 0.00 N HETATM 130 C4 AF2 A 5 -6.096 -3.168 3.156 1.00 0.00 C HETATM 131 C5 AF2 A 5 -5.106 -3.518 2.274 1.00 0.00 C HETATM 132 C6 AF2 A 5 -3.813 -3.590 2.842 1.00 0.00 C HETATM 133 N6 AF2 A 5 -2.732 -3.971 2.172 1.00 0.00 N HETATM 134 N7 AF2 A 5 -5.623 -3.730 0.990 1.00 0.00 N HETATM 135 C8 AF2 A 5 -6.900 -3.519 1.151 1.00 0.00 C HETATM 136 N9 AF2 A 5 -7.265 -3.179 2.430 1.00 0.00 N HETATM 137 C1' AF2 A 5 -8.620 -2.839 2.920 1.00 0.00 C HETATM 138 OP2 AF2 A 5 -9.675 -2.852 -3.075 1.00 0.00 O HETATM 139 C2' AF2 A 5 -8.808 -1.334 3.004 1.00 0.00 C HETATM 140 OP1 AF2 A 5 -12.022 -2.067 -2.379 1.00 0.00 O HETATM 141 C3' AF2 A 5 -9.829 -1.010 1.914 1.00 0.00 C HETATM 142 O3' AF2 A 5 -10.610 0.162 2.154 1.00 0.00 O HETATM 143 C4' AF2 A 5 -10.576 -2.335 1.805 1.00 0.00 C HETATM 144 O4' AF2 A 5 -9.542 -3.299 1.947 1.00 0.00 O HETATM 145 C5' AF2 A 5 -11.277 -2.535 0.453 1.00 0.00 C HETATM 146 O5' AF2 A 5 -10.346 -2.582 -0.634 1.00 0.00 O HETATM 0 HN6A AF2 A 5 -2.805 -4.220 1.186 1.00 0.00 H new HETATM 0 H5'A AF2 A 5 -11.853 -3.460 0.477 1.00 0.00 H new HETATM 0 HN6 AF2 A 5 -1.829 -4.014 2.644 1.00 0.00 H new HETATM 0 H8 AF2 A 5 -7.619 -3.606 0.336 1.00 0.00 H new HETATM 0 H5' AF2 A 5 -11.985 -1.723 0.289 1.00 0.00 H new HETATM 0 H4' AF2 A 5 -11.372 -2.398 2.547 1.00 0.00 H new HETATM 0 H3' AF2 A 5 -9.396 -0.704 0.962 1.00 0.00 H new HETATM 0 H2' AF2 A 5 -7.978 -0.654 2.814 1.00 0.00 H new HETATM 0 H2 AF2 A 5 -4.481 -2.705 5.910 1.00 0.00 H new HETATM 0 H1' AF2 A 5 -8.764 -3.285 3.904 1.00 0.00 H new HETATM 157 F AF2 A 6 -5.284 1.920 7.195 1.00 0.00 F HETATM 158 P AF2 A 6 -9.983 1.640 1.956 1.00 0.00 P HETATM 159 N1 AF2 A 6 -0.812 -0.434 4.359 1.00 0.00 N HETATM 160 C2 AF2 A 6 -1.405 -0.066 5.491 1.00 0.00 C HETATM 161 N3 AF2 A 6 -2.692 0.219 5.677 1.00 0.00 N HETATM 162 C4 AF2 A 6 -3.417 0.101 4.530 1.00 0.00 C HETATM 163 C5 AF2 A 6 -2.942 -0.247 3.291 1.00 0.00 C HETATM 164 C6 AF2 A 6 -1.564 -0.551 3.260 1.00 0.00 C HETATM 165 N6 AF2 A 6 -0.926 -0.963 2.177 1.00 0.00 N HETATM 166 N7 AF2 A 6 -3.954 -0.199 2.324 1.00 0.00 N HETATM 167 C8 AF2 A 6 -4.996 0.159 3.023 1.00 0.00 C HETATM 168 N9 AF2 A 6 -4.771 0.301 4.367 1.00 0.00 N HETATM 169 C1' AF2 A 6 -5.771 0.644 5.409 1.00 0.00 C HETATM 170 OP2 AF2 A 6 -9.406 1.590 0.592 1.00 0.00 O HETATM 171 C2' AF2 A 6 -5.593 2.075 5.860 1.00 0.00 C HETATM 172 OP1 AF2 A 6 -11.070 2.604 2.194 1.00 0.00 O HETATM 173 C3' AF2 A 6 -6.888 2.764 5.429 1.00 0.00 C HETATM 174 O3' AF2 A 6 -7.265 3.869 6.239 1.00 0.00 O HETATM 175 C4' AF2 A 6 -7.873 1.613 5.364 1.00 0.00 C HETATM 176 O4' AF2 A 6 -7.058 0.584 4.816 1.00 0.00 O HETATM 177 C5' AF2 A 6 -9.106 1.879 4.472 1.00 0.00 C HETATM 178 O5' AF2 A 6 -8.813 1.847 3.069 1.00 0.00 O HETATM 0 HN6A AF2 A 6 -1.433 -1.077 1.299 1.00 0.00 H new HETATM 0 H5'A AF2 A 6 -9.872 1.135 4.692 1.00 0.00 H new HETATM 0 HN6 AF2 A 6 0.072 -1.167 2.220 1.00 0.00 H new HETATM 0 H8 AF2 A 6 -5.973 0.332 2.571 1.00 0.00 H new HETATM 0 H5' AF2 A 6 -9.525 2.853 4.726 1.00 0.00 H new HETATM 0 H4' AF2 A 6 -8.320 1.394 6.334 1.00 0.00 H new HETATM 0 H3' AF2 A 6 -6.808 3.276 4.470 1.00 0.00 H new HETATM 0 H2' AF2 A 6 -4.812 2.717 5.451 1.00 0.00 H new HETATM 0 H2 AF2 A 6 -0.763 0.011 6.368 1.00 0.00 H new HETATM 0 H1' AF2 A 6 -5.653 -0.043 6.247 1.00 0.00 H new HETATM 189 P TAF A 7 -6.544 5.305 6.080 1.00 0.00 P HETATM 190 OP1 TAF A 7 -7.242 6.260 6.962 1.00 0.00 O HETATM 191 OP2 TAF A 7 -6.501 5.559 4.614 1.00 0.00 O HETATM 192 O5' TAF A 7 -5.037 5.086 6.625 1.00 0.00 O HETATM 193 N1 TAF A 7 -1.207 3.510 5.729 1.00 0.00 N HETATM 194 C6 TAF A 7 -2.199 3.526 4.770 1.00 0.00 C HETATM 195 C2 TAF A 7 0.095 3.118 5.406 1.00 0.00 C HETATM 196 O2 TAF A 7 1.028 3.149 6.200 1.00 0.00 O HETATM 197 N3 TAF A 7 0.321 2.723 4.105 1.00 0.00 N HETATM 198 C4 TAF A 7 -0.605 2.751 3.080 1.00 0.00 C HETATM 199 O4 TAF A 7 -0.255 2.441 1.943 1.00 0.00 O HETATM 200 C5 TAF A 7 -1.940 3.187 3.481 1.00 0.00 C HETATM 201 C5M TAF A 7 -3.045 3.305 2.448 1.00 0.00 C HETATM 202 F2' TAF A 7 -2.071 6.098 5.888 1.00 0.00 F HETATM 203 C2' TAF A 7 -1.525 5.617 7.068 1.00 0.00 C HETATM 204 C5' TAF A 7 -4.785 4.869 8.008 1.00 0.00 C HETATM 205 C4' TAF A 7 -3.304 4.661 8.370 1.00 0.00 C HETATM 206 O4' TAF A 7 -2.713 3.631 7.583 1.00 0.00 O HETATM 207 C1' TAF A 7 -1.462 4.082 7.083 1.00 0.00 C HETATM 208 C3' TAF A 7 -2.454 5.932 8.228 1.00 0.00 C HETATM 209 O3' TAF A 7 -1.766 6.268 9.444 1.00 0.00 O HETATM 0 H5'' TAF A 7 -5.165 5.722 8.570 1.00 0.00 H new HETATM 0 H73 TAF A 7 -3.880 2.665 2.734 1.00 0.00 H new HETATM 0 H72 TAF A 7 -3.383 4.340 2.393 1.00 0.00 H new HETATM 0 H71 TAF A 7 -2.667 2.995 1.474 1.00 0.00 H new HETATM 0 H6 TAF A 7 -3.211 3.817 5.053 1.00 0.00 H new HETATM 0 H5' TAF A 7 -5.350 3.995 8.333 1.00 0.00 H new HETATM 0 H4' TAF A 7 -3.311 4.374 9.422 1.00 0.00 H new HETATM 0 H3' TAF A 7 -3.051 6.823 8.033 1.00 0.00 H new HETATM 0 H3 TAF A 7 1.254 2.380 3.879 1.00 0.00 H new HETATM 0 H2' TAF A 7 -0.538 6.072 7.148 1.00 0.00 H new HETATM 0 H1' TAF A 7 -0.632 3.752 7.708 1.00 0.00 H new HETATM 221 P UFT A 8 -1.083 7.730 9.704 1.00 0.00 P HETATM 222 OP1 UFT A 8 -0.841 7.895 11.149 1.00 0.00 O HETATM 223 OP2 UFT A 8 -1.834 8.760 8.955 1.00 0.00 O HETATM 224 O5' UFT A 8 0.341 7.636 8.976 1.00 0.00 O HETATM 225 N1 UFT A 8 2.457 5.904 4.996 1.00 0.00 N HETATM 226 C6 UFT A 8 1.181 6.248 4.599 1.00 0.00 C HETATM 227 C2 UFT A 8 3.366 5.378 4.076 1.00 0.00 C HETATM 228 O2 UFT A 8 4.524 5.090 4.359 1.00 0.00 O HETATM 229 N3 UFT A 8 2.920 5.208 2.786 1.00 0.00 N HETATM 230 C4 UFT A 8 1.667 5.516 2.309 1.00 0.00 C HETATM 231 O4 UFT A 8 1.401 5.344 1.119 1.00 0.00 O HETATM 232 C5 UFT A 8 0.776 6.063 3.312 1.00 0.00 C HETATM 233 F2' UFT A 8 4.772 7.494 6.161 1.00 0.00 F HETATM 234 C2' UFT A 8 3.438 7.652 6.458 1.00 0.00 C HETATM 235 C5' UFT A 8 1.424 6.918 9.545 1.00 0.00 C HETATM 236 C4' UFT A 8 2.521 6.720 8.494 1.00 0.00 C HETATM 237 O4' UFT A 8 1.997 6.032 7.364 1.00 0.00 O HETATM 238 C1' UFT A 8 2.970 6.208 6.358 1.00 0.00 C HETATM 239 C3' UFT A 8 3.020 8.025 7.880 1.00 0.00 C HETATM 240 O3' UFT A 8 3.976 8.777 8.614 1.00 0.00 O HETATM 0 H5'A UFT A 8 1.822 7.461 10.402 1.00 0.00 H new HETATM 0 HN3 UFT A 8 3.583 4.815 2.118 1.00 0.00 H new HETATM 0 H6 UFT A 8 0.488 6.673 5.325 1.00 0.00 H new HETATM 0 H5' UFT A 8 1.079 5.951 9.912 1.00 0.00 H new HETATM 0 H5 UFT A 8 -0.242 6.333 3.030 1.00 0.00 H new HETATM 0 H4' UFT A 8 3.313 6.196 9.028 1.00 0.00 H new HETATM 0 H3' UFT A 8 2.218 8.763 7.895 1.00 0.00 H new HETATM 0 H2' UFT A 8 3.058 8.453 5.824 1.00 0.00 H new HETATM 0 H1' UFT A 8 3.791 5.508 6.513 1.00 0.00 H new HETATM 250 P CFL A 9 4.288 10.314 8.240 1.00 0.00 P HETATM 251 O1P CFL A 9 4.995 10.921 9.384 1.00 0.00 O HETATM 252 O2P CFL A 9 2.990 10.892 7.789 1.00 0.00 O HETATM 253 O5' CFL A 9 5.321 10.229 6.988 1.00 0.00 O HETATM 254 C5' CFL A 9 6.648 9.718 7.167 1.00 0.00 C HETATM 255 C4' CFL A 9 7.559 9.740 5.922 1.00 0.00 C HETATM 256 O4' CFL A 9 7.126 8.843 4.904 1.00 0.00 O HETATM 257 C3' CFL A 9 7.760 11.122 5.284 1.00 0.00 C HETATM 258 O3' CFL A 9 9.160 11.433 5.180 1.00 0.00 O HETATM 259 C2' CFL A 9 7.039 11.006 3.946 1.00 0.00 C HETATM 260 C1' CFL A 9 7.137 9.509 3.649 1.00 0.00 C HETATM 261 N1 CFL A 9 6.055 8.950 2.779 1.00 0.00 N HETATM 262 C2 CFL A 9 6.368 8.466 1.501 1.00 0.00 C HETATM 263 O2 CFL A 9 7.525 8.420 1.091 1.00 0.00 O HETATM 264 N3 CFL A 9 5.383 8.035 0.670 1.00 0.00 N HETATM 265 C4 CFL A 9 4.127 8.065 1.087 1.00 0.00 C HETATM 266 N4 CFL A 9 3.224 7.620 0.246 1.00 0.00 N HETATM 267 C5 CFL A 9 3.758 8.487 2.401 1.00 0.00 C HETATM 268 C6 CFL A 9 4.756 8.918 3.217 1.00 0.00 C HETATM 269 F CFL A 9 5.723 11.374 4.069 1.00 0.00 F HETATM 0 HN42 CFL A 9 2.239 7.618 0.510 1.00 0.00 H new HETATM 0 HN41 CFL A 9 3.507 7.276 -0.672 1.00 0.00 H new HETATM 0 H5'2 CFL A 9 7.133 10.292 7.957 1.00 0.00 H new HETATM 0 H5'1 CFL A 9 6.575 8.689 7.520 1.00 0.00 H new HETATM 0 H6 CFL A 9 4.521 9.242 4.231 1.00 0.00 H new HETATM 0 H5 CFL A 9 2.721 8.464 2.735 1.00 0.00 H new HETATM 0 H4' CFL A 9 8.518 9.418 6.328 1.00 0.00 H new HETATM 0 H3' CFL A 9 7.357 11.950 5.867 1.00 0.00 H new HETATM 0 H2' CFL A 9 7.463 11.643 3.170 1.00 0.00 H new HETATM 0 H1' CFL A 9 8.052 9.352 3.078 1.00 0.00 H new HETATM 280 F GF2 A 10 9.083 12.571 -2.122 1.00 0.00 F HETATM 281 P GF2 A 10 9.728 12.871 4.684 1.00 0.00 P HETATM 282 N1 GF2 A 10 5.059 9.901 -3.941 1.00 0.00 N HETATM 283 C2 GF2 A 10 6.412 10.040 -3.960 1.00 0.00 C HETATM 284 N2 GF2 A 10 7.053 9.845 -5.086 1.00 0.00 N HETATM 285 N3 GF2 A 10 7.137 10.404 -2.912 1.00 0.00 N HETATM 286 C4 GF2 A 10 6.381 10.715 -1.822 1.00 0.00 C HETATM 287 C5 GF2 A 10 5.012 10.641 -1.699 1.00 0.00 C HETATM 288 C6 GF2 A 10 4.264 10.147 -2.834 1.00 0.00 C HETATM 289 O6 GF2 A 10 3.058 9.948 -2.972 1.00 0.00 O HETATM 290 N7 GF2 A 10 4.632 11.133 -0.440 1.00 0.00 N HETATM 291 C8 GF2 A 10 5.763 11.466 0.129 1.00 0.00 C HETATM 292 N9 GF2 A 10 6.869 11.211 -0.644 1.00 0.00 N HETATM 293 C1' GF2 A 10 8.311 11.420 -0.389 1.00 0.00 C HETATM 294 OP2 GF2 A 10 8.736 13.930 4.985 1.00 0.00 O HETATM 295 C2' GF2 A 10 8.828 12.792 -0.789 1.00 0.00 C HETATM 296 OP1 GF2 A 10 11.128 13.041 5.104 1.00 0.00 O HETATM 297 C3' GF2 A 10 10.023 12.968 0.146 1.00 0.00 C HETATM 298 O3' GF2 A 10 11.211 13.400 -0.511 1.00 0.00 O HETATM 299 C4' GF2 A 10 10.075 11.666 0.950 1.00 0.00 C HETATM 300 O4' GF2 A 10 8.719 11.221 0.944 1.00 0.00 O HETATM 301 C5' GF2 A 10 10.562 11.862 2.390 1.00 0.00 C HETATM 302 O5' GF2 A 10 9.709 12.765 3.084 1.00 0.00 O HETATM 0 HN2A GF2 A 10 8.068 9.945 -5.119 1.00 0.00 H new HETATM 0 H5'A GF2 A 10 10.584 10.903 2.907 1.00 0.00 H new HETATM 0 HN2 GF2 A 10 6.537 9.593 -5.929 1.00 0.00 H new HETATM 0 HN1 GF2 A 10 4.600 9.595 -4.799 1.00 0.00 H new HETATM 0 H8 GF2 A 10 5.821 11.905 1.125 1.00 0.00 H new HETATM 0 H5' GF2 A 10 11.582 12.246 2.386 1.00 0.00 H new HETATM 0 H4' GF2 A 10 10.782 10.959 0.515 1.00 0.00 H new HETATM 0 H3' GF2 A 10 9.915 13.804 0.838 1.00 0.00 H new HETATM 0 H2' GF2 A 10 8.228 13.698 -0.699 1.00 0.00 H new HETATM 0 H1' GF2 A 10 8.741 10.647 -1.026 1.00 0.00 H new HETATM 313 P CFL A 11 11.349 14.909 -1.089 1.00 0.00 P HETATM 314 O1P CFL A 11 12.788 15.191 -1.264 1.00 0.00 O HETATM 315 O2P CFL A 11 10.527 15.773 -0.207 1.00 0.00 O HETATM 316 O5' CFL A 11 10.664 14.886 -2.559 1.00 0.00 O HETATM 317 C5' CFL A 11 11.316 14.298 -3.681 1.00 0.00 C HETATM 318 C4' CFL A 11 10.538 14.345 -5.015 1.00 0.00 C HETATM 319 O4' CFL A 11 9.351 13.562 -4.963 1.00 0.00 O HETATM 320 C3' CFL A 11 10.112 15.723 -5.548 1.00 0.00 C HETATM 321 O3' CFL A 11 10.292 15.739 -6.983 1.00 0.00 O HETATM 322 C2' CFL A 11 8.656 15.834 -5.129 1.00 0.00 C HETATM 323 C1' CFL A 11 8.272 14.378 -5.402 1.00 0.00 C HETATM 324 N1 CFL A 11 7.004 13.939 -4.773 1.00 0.00 N HETATM 325 C2 CFL A 11 5.993 13.425 -5.586 1.00 0.00 C HETATM 326 O2 CFL A 11 6.158 13.259 -6.789 1.00 0.00 O HETATM 327 N3 CFL A 11 4.782 13.130 -5.063 1.00 0.00 N HETATM 328 C4 CFL A 11 4.577 13.311 -3.769 1.00 0.00 C HETATM 329 N4 CFL A 11 3.365 13.045 -3.350 1.00 0.00 N HETATM 330 C5 CFL A 11 5.603 13.759 -2.878 1.00 0.00 C HETATM 331 C6 CFL A 11 6.808 14.063 -3.424 1.00 0.00 C HETATM 332 F CFL A 11 8.497 16.243 -3.820 1.00 0.00 F HETATM 0 HN42 CFL A 11 3.129 13.160 -2.364 1.00 0.00 H new HETATM 0 HN41 CFL A 11 2.657 12.722 -4.009 1.00 0.00 H new HETATM 0 H5'2 CFL A 11 12.274 14.799 -3.824 1.00 0.00 H new HETATM 0 H5'1 CFL A 11 11.533 13.256 -3.446 1.00 0.00 H new HETATM 0 H6 CFL A 11 7.622 14.407 -2.786 1.00 0.00 H new HETATM 0 H5 CFL A 11 5.425 13.852 -1.807 1.00 0.00 H new HETATM 0 H4' CFL A 11 11.290 13.954 -5.700 1.00 0.00 H new HETATM 0 H3' CFL A 11 10.689 16.565 -5.165 1.00 0.00 H new HETATM 0 H2' CFL A 11 8.047 16.582 -5.637 1.00 0.00 H new HETATM 0 H1' CFL A 11 8.091 14.282 -6.473 1.00 0.00 H new HETATM 343 F GF2 A 12 4.926 19.395 -6.522 1.00 0.00 F HETATM 344 P GF2 A 12 9.810 16.949 -7.957 1.00 0.00 P HETATM 345 N1 GF2 A 12 0.388 14.785 -6.121 1.00 0.00 N HETATM 346 C2 GF2 A 12 0.999 15.047 -7.301 1.00 0.00 C HETATM 347 N2 GF2 A 12 0.274 14.904 -8.377 1.00 0.00 N HETATM 348 N3 GF2 A 12 2.205 15.565 -7.440 1.00 0.00 N HETATM 349 C4 GF2 A 12 2.804 15.824 -6.242 1.00 0.00 C HETATM 350 C5 GF2 A 12 2.276 15.641 -4.985 1.00 0.00 C HETATM 351 C6 GF2 A 12 0.960 15.052 -4.888 1.00 0.00 C HETATM 352 O6 GF2 A 12 0.272 14.783 -3.907 1.00 0.00 O HETATM 353 N7 GF2 A 12 3.171 16.146 -4.032 1.00 0.00 N HETATM 354 C8 GF2 A 12 4.173 16.605 -4.738 1.00 0.00 C HETATM 355 N9 GF2 A 12 4.017 16.448 -6.099 1.00 0.00 N HETATM 356 C1' GF2 A 12 4.661 17.090 -7.271 1.00 0.00 C HETATM 357 OP2 GF2 A 12 10.045 18.219 -7.239 1.00 0.00 O HETATM 358 C2' GF2 A 12 5.554 18.308 -7.094 1.00 0.00 C HETATM 359 OP1 GF2 A 12 10.394 16.721 -9.296 1.00 0.00 O HETATM 360 C3' GF2 A 12 5.798 18.516 -8.591 1.00 0.00 C HETATM 361 O3' GF2 A 12 4.579 18.967 -9.166 1.00 0.00 O HETATM 362 C4' GF2 A 12 6.031 17.070 -9.093 1.00 0.00 C HETATM 363 O4' GF2 A 12 5.411 16.231 -8.113 1.00 0.00 O HETATM 364 C5' GF2 A 12 7.510 16.684 -9.283 1.00 0.00 C HETATM 365 O5' GF2 A 12 8.212 16.726 -8.052 1.00 0.00 O HETATM 0 HO3' GF2 A 12 4.046 19.427 -8.484 1.00 0.00 H new HETATM 0 HN2A GF2 A 12 0.681 15.087 -9.294 1.00 0.00 H new HETATM 0 H5'A GF2 A 12 7.576 15.683 -9.708 1.00 0.00 H new HETATM 0 HN2 GF2 A 12 -0.699 14.609 -8.301 1.00 0.00 H new HETATM 0 HN1 GF2 A 12 -0.543 14.369 -6.141 1.00 0.00 H new HETATM 0 H8 GF2 A 12 5.052 17.070 -4.290 1.00 0.00 H new HETATM 0 H5' GF2 A 12 7.978 17.364 -9.995 1.00 0.00 H new HETATM 0 H4' GF2 A 12 5.607 16.960 -10.091 1.00 0.00 H new HETATM 0 H3' GF2 A 12 6.602 19.214 -8.822 1.00 0.00 H new HETATM 0 H2' GF2 A 12 6.413 18.189 -6.433 1.00 0.00 H new HETATM 0 H1' GF2 A 12 3.716 17.419 -7.704 1.00 0.00 H new TER 377 GF2 A 12 HETATM 378 N1 CFZ B 13 -3.938 12.400 -7.905 1.00 0.00 N HETATM 379 C2 CFZ B 13 -2.697 13.065 -7.936 1.00 0.00 C HETATM 380 O2 CFZ B 13 -2.143 13.293 -9.016 1.00 0.00 O HETATM 381 N3 CFZ B 13 -2.104 13.413 -6.734 1.00 0.00 N HETATM 382 C4 CFZ B 13 -2.646 12.993 -5.578 1.00 0.00 C HETATM 383 N4 CFZ B 13 -2.066 13.288 -4.433 1.00 0.00 N HETATM 384 C5 CFZ B 13 -3.847 12.221 -5.548 1.00 0.00 C HETATM 385 C6 CFZ B 13 -4.457 11.948 -6.721 1.00 0.00 C HETATM 386 C1' CFZ B 13 -4.740 12.272 -9.153 1.00 0.00 C HETATM 387 C2' CFZ B 13 -4.179 11.231 -10.122 1.00 0.00 C HETATM 388 F2' CFZ B 13 -3.516 12.033 -11.025 1.00 0.00 F HETATM 389 C3' CFZ B 13 -5.425 10.438 -10.500 1.00 0.00 C HETATM 390 O3' CFZ B 13 -5.447 9.881 -11.802 1.00 0.00 O HETATM 391 C4' CFZ B 13 -6.563 11.382 -10.155 1.00 0.00 C HETATM 392 O4' CFZ B 13 -6.099 11.922 -8.925 1.00 0.00 O HETATM 393 C5' CFZ B 13 -7.924 10.675 -10.034 1.00 0.00 C HETATM 394 O5' CFZ B 13 -7.880 9.509 -9.219 1.00 0.00 O HETATM 0 HN4A CFZ B 13 -2.477 12.969 -3.556 1.00 0.00 H new HETATM 0 H5'A CFZ B 13 -8.653 11.372 -9.620 1.00 0.00 H new HETATM 0 HN4 CFZ B 13 -1.205 13.835 -4.423 1.00 0.00 H new HETATM 0 H6 CFZ B 13 -5.375 11.360 -6.726 1.00 0.00 H new HETATM 0 H5' CFZ B 13 -8.274 10.402 -11.029 1.00 0.00 H new HETATM 0 H5 CFZ B 13 -4.259 11.862 -4.605 1.00 0.00 H new HETATM 0 H4' CFZ B 13 -6.767 12.131 -10.920 1.00 0.00 H new HETATM 0 H3' CFZ B 13 -5.490 9.502 -9.945 1.00 0.00 H new HETATM 0 H2' CFZ B 13 -3.455 10.465 -9.844 1.00 0.00 H new HETATM 0 H1' CFZ B 13 -4.680 13.271 -9.586 1.00 0.00 H new HETATM 406 F GF2 B 14 2.035 9.762 -12.201 1.00 0.00 F HETATM 407 P GF2 B 14 -4.768 8.449 -12.091 1.00 0.00 P HETATM 408 N1 GF2 B 14 3.017 12.312 -7.131 1.00 0.00 N HETATM 409 C2 GF2 B 14 3.291 12.334 -8.465 1.00 0.00 C HETATM 410 N2 GF2 B 14 4.464 12.775 -8.841 1.00 0.00 N HETATM 411 N3 GF2 B 14 2.469 11.882 -9.409 1.00 0.00 N HETATM 412 C4 GF2 B 14 1.316 11.363 -8.899 1.00 0.00 C HETATM 413 C5 GF2 B 14 0.940 11.297 -7.573 1.00 0.00 C HETATM 414 C6 GF2 B 14 1.836 11.844 -6.587 1.00 0.00 C HETATM 415 O6 GF2 B 14 1.701 11.948 -5.370 1.00 0.00 O HETATM 416 N7 GF2 B 14 -0.307 10.666 -7.468 1.00 0.00 N HETATM 417 C8 GF2 B 14 -0.621 10.377 -8.700 1.00 0.00 C HETATM 418 N9 GF2 B 14 0.305 10.787 -9.625 1.00 0.00 N HETATM 419 C1' GF2 B 14 0.280 10.627 -11.096 1.00 0.00 C HETATM 420 OP2 GF2 B 14 -5.122 7.565 -10.953 1.00 0.00 O HETATM 421 C2' GF2 B 14 0.908 9.313 -11.543 1.00 0.00 C HETATM 422 OP1 GF2 B 14 -5.099 8.052 -13.473 1.00 0.00 O HETATM 423 C3' GF2 B 14 -0.190 8.599 -12.335 1.00 0.00 C HETATM 424 O3' GF2 B 14 0.309 7.774 -13.392 1.00 0.00 O HETATM 425 C4' GF2 B 14 -1.074 9.789 -12.716 1.00 0.00 C HETATM 426 O4' GF2 B 14 -1.058 10.595 -11.540 1.00 0.00 O HETATM 427 C5' GF2 B 14 -2.523 9.438 -13.079 1.00 0.00 C HETATM 428 O5' GF2 B 14 -3.193 8.788 -12.006 1.00 0.00 O HETATM 0 HN2A GF2 B 14 4.704 12.806 -9.832 1.00 0.00 H new HETATM 0 H5'A GF2 B 14 -3.061 10.347 -13.346 1.00 0.00 H new HETATM 0 HN2 GF2 B 14 5.139 13.088 -8.143 1.00 0.00 H new HETATM 0 HN1 GF2 B 14 3.730 12.664 -6.492 1.00 0.00 H new HETATM 0 H8 GF2 B 14 -1.539 9.855 -8.971 1.00 0.00 H new HETATM 0 H5' GF2 B 14 -2.532 8.793 -13.957 1.00 0.00 H new HETATM 0 H4' GF2 B 14 -0.691 10.264 -13.619 1.00 0.00 H new HETATM 0 H3' GF2 B 14 -0.750 7.834 -11.796 1.00 0.00 H new HETATM 0 H2' GF2 B 14 1.232 8.567 -10.818 1.00 0.00 H new HETATM 0 H1' GF2 B 14 0.840 11.465 -11.512 1.00 0.00 H new HETATM 439 P CFZ B 15 1.066 6.360 -13.121 1.00 0.00 P HETATM 440 N1 CFZ B 15 4.149 8.478 -8.678 1.00 0.00 N HETATM 441 C2 CFZ B 15 4.651 9.062 -7.514 1.00 0.00 C HETATM 442 O2 CFZ B 15 5.801 9.481 -7.469 1.00 0.00 O HETATM 443 N3 CFZ B 15 3.882 9.138 -6.401 1.00 0.00 N HETATM 444 C4 CFZ B 15 2.662 8.632 -6.418 1.00 0.00 C HETATM 445 N4 CFZ B 15 1.955 8.778 -5.323 1.00 0.00 N HETATM 446 C5 CFZ B 15 2.108 7.996 -7.578 1.00 0.00 C HETATM 447 C6 CFZ B 15 2.892 7.933 -8.686 1.00 0.00 C HETATM 448 C1' CFZ B 15 5.041 8.342 -9.863 1.00 0.00 C HETATM 449 O1P CFZ B 15 1.488 5.733 -14.386 1.00 0.00 O HETATM 450 C2' CFZ B 15 5.728 7.002 -9.869 1.00 0.00 C HETATM 451 F2' CFZ B 15 7.077 7.277 -9.960 1.00 0.00 F HETATM 452 O2P CFZ B 15 0.294 5.509 -12.191 1.00 0.00 O HETATM 453 C3' CFZ B 15 5.067 6.243 -11.022 1.00 0.00 C HETATM 454 O3' CFZ B 15 5.876 5.206 -11.555 1.00 0.00 O HETATM 455 C4' CFZ B 15 4.700 7.405 -11.939 1.00 0.00 C HETATM 456 O4' CFZ B 15 4.250 8.410 -11.038 1.00 0.00 O HETATM 457 C5' CFZ B 15 3.610 7.072 -12.965 1.00 0.00 C HETATM 458 O5' CFZ B 15 2.414 6.663 -12.308 1.00 0.00 O HETATM 0 HN4A CFZ B 15 1.006 8.408 -5.276 1.00 0.00 H new HETATM 0 H5'A CFZ B 15 3.410 7.944 -13.588 1.00 0.00 H new HETATM 0 HN4 CFZ B 15 2.355 9.261 -4.519 1.00 0.00 H new HETATM 0 H6 CFZ B 15 2.519 7.446 -9.587 1.00 0.00 H new HETATM 0 H5' CFZ B 15 3.957 6.280 -13.628 1.00 0.00 H new HETATM 0 H5 CFZ B 15 1.100 7.581 -7.571 1.00 0.00 H new HETATM 0 H4' CFZ B 15 5.552 7.700 -12.552 1.00 0.00 H new HETATM 0 H3' CFZ B 15 4.196 5.640 -10.766 1.00 0.00 H new HETATM 0 H2' CFZ B 15 5.632 6.363 -8.991 1.00 0.00 H new HETATM 0 H1' CFZ B 15 5.784 9.138 -9.824 1.00 0.00 H new HETATM 469 F GF2 B 16 10.139 4.942 -5.280 1.00 0.00 F HETATM 470 P GF2 B 16 6.065 3.806 -10.764 1.00 0.00 P HETATM 471 N1 GF2 B 16 6.155 7.136 -1.917 1.00 0.00 N HETATM 472 C2 GF2 B 16 7.475 7.111 -2.255 1.00 0.00 C HETATM 473 N2 GF2 B 16 8.348 7.435 -1.331 1.00 0.00 N HETATM 474 N3 GF2 B 16 7.936 6.756 -3.452 1.00 0.00 N HETATM 475 C4 GF2 B 16 6.943 6.441 -4.333 1.00 0.00 C HETATM 476 C5 GF2 B 16 5.584 6.424 -4.097 1.00 0.00 C HETATM 477 C6 GF2 B 16 5.127 6.787 -2.778 1.00 0.00 C HETATM 478 O6 GF2 B 16 3.984 6.822 -2.324 1.00 0.00 O HETATM 479 N7 GF2 B 16 4.895 6.028 -5.256 1.00 0.00 N HETATM 480 C8 GF2 B 16 5.852 5.850 -6.124 1.00 0.00 C HETATM 481 N9 GF2 B 16 7.114 6.059 -5.640 1.00 0.00 N HETATM 482 C1' GF2 B 16 8.397 5.844 -6.348 1.00 0.00 C HETATM 483 OP2 GF2 B 16 4.753 3.471 -10.126 1.00 0.00 O HETATM 484 C2' GF2 B 16 9.027 4.511 -5.968 1.00 0.00 C HETATM 485 OP1 GF2 B 16 6.732 2.860 -11.678 1.00 0.00 O HETATM 486 C3' GF2 B 16 9.176 3.741 -7.285 1.00 0.00 C HETATM 487 O3' GF2 B 16 10.345 2.912 -7.312 1.00 0.00 O HETATM 488 C4' GF2 B 16 9.050 4.856 -8.332 1.00 0.00 C HETATM 489 O4' GF2 B 16 8.143 5.778 -7.735 1.00 0.00 O HETATM 490 C5' GF2 B 16 8.441 4.419 -9.680 1.00 0.00 C HETATM 491 O5' GF2 B 16 7.052 4.119 -9.526 1.00 0.00 O HETATM 0 HN2A GF2 B 16 9.345 7.428 -1.546 1.00 0.00 H new HETATM 0 H5'A GF2 B 16 8.569 5.211 -10.418 1.00 0.00 H new HETATM 0 HN2 GF2 B 16 8.030 7.694 -0.397 1.00 0.00 H new HETATM 0 HN1 GF2 B 16 5.909 7.430 -0.972 1.00 0.00 H new HETATM 0 H8 GF2 B 16 5.661 5.557 -7.156 1.00 0.00 H new HETATM 0 H5' GF2 B 16 8.969 3.543 -10.058 1.00 0.00 H new HETATM 0 H4' GF2 B 16 10.044 5.235 -8.570 1.00 0.00 H new HETATM 0 H3' GF2 B 16 8.425 2.973 -7.472 1.00 0.00 H new HETATM 0 H2' GF2 B 16 8.513 3.792 -5.330 1.00 0.00 H new HETATM 0 H1' GF2 B 16 9.064 6.663 -6.079 1.00 0.00 H new HETATM 502 F AF2 B 17 10.535 2.769 0.258 1.00 0.00 F HETATM 503 P AF2 B 17 10.407 1.501 -6.503 1.00 0.00 P HETATM 504 N1 AF2 B 17 4.953 4.542 0.950 1.00 0.00 N HETATM 505 C2 AF2 B 17 6.214 4.555 1.368 1.00 0.00 C HETATM 506 N3 AF2 B 17 7.307 4.273 0.664 1.00 0.00 N HETATM 507 C4 AF2 B 17 7.011 3.937 -0.624 1.00 0.00 C HETATM 508 C5 AF2 B 17 5.765 3.872 -1.193 1.00 0.00 C HETATM 509 C6 AF2 B 17 4.706 4.217 -0.319 1.00 0.00 C HETATM 510 N6 AF2 B 17 3.426 4.287 -0.657 1.00 0.00 N HETATM 511 N7 AF2 B 17 5.844 3.476 -2.534 1.00 0.00 N HETATM 512 C8 AF2 B 17 7.129 3.316 -2.715 1.00 0.00 C HETATM 513 N9 AF2 B 17 7.902 3.594 -1.615 1.00 0.00 N HETATM 514 C1' AF2 B 17 9.381 3.549 -1.506 1.00 0.00 C HETATM 515 OP2 AF2 B 17 9.185 0.723 -6.760 1.00 0.00 O HETATM 516 C2' AF2 B 17 9.877 2.267 -0.849 1.00 0.00 C HETATM 517 OP1 AF2 B 17 11.701 0.806 -6.684 1.00 0.00 O HETATM 518 C3' AF2 B 17 10.698 1.572 -1.937 1.00 0.00 C HETATM 519 O3' AF2 B 17 11.765 0.756 -1.454 1.00 0.00 O HETATM 520 C4' AF2 B 17 11.097 2.755 -2.809 1.00 0.00 C HETATM 521 O4' AF2 B 17 9.911 3.541 -2.819 1.00 0.00 O HETATM 522 C5' AF2 B 17 11.484 2.369 -4.242 1.00 0.00 C HETATM 523 O5' AF2 B 17 10.368 1.813 -4.930 1.00 0.00 O HETATM 0 HN6A AF2 B 17 3.136 4.057 -1.608 1.00 0.00 H new HETATM 0 H5'A AF2 B 17 11.846 3.248 -4.776 1.00 0.00 H new HETATM 0 HN6 AF2 B 17 2.731 4.571 0.034 1.00 0.00 H new HETATM 0 H8 AF2 B 17 7.553 2.988 -3.664 1.00 0.00 H new HETATM 0 H5' AF2 B 17 12.302 1.648 -4.222 1.00 0.00 H new HETATM 0 H4' AF2 B 17 11.984 3.256 -2.421 1.00 0.00 H new HETATM 0 H3' AF2 B 17 10.150 0.808 -2.489 1.00 0.00 H new HETATM 0 H2' AF2 B 17 9.179 1.505 -0.502 1.00 0.00 H new HETATM 0 H2 AF2 B 17 6.372 4.829 2.411 1.00 0.00 H new HETATM 0 H1' AF2 B 17 9.693 4.406 -0.909 1.00 0.00 H new HETATM 534 F AF2 B 18 8.296 0.836 5.103 1.00 0.00 F HETATM 535 P AF2 B 18 11.508 -0.765 -0.961 1.00 0.00 P HETATM 536 N1 AF2 B 18 3.003 2.026 3.365 1.00 0.00 N HETATM 537 C2 AF2 B 18 3.988 2.064 4.261 1.00 0.00 C HETATM 538 N3 AF2 B 18 5.280 1.828 4.058 1.00 0.00 N HETATM 539 C4 AF2 B 18 5.547 1.493 2.767 1.00 0.00 C HETATM 540 C5 AF2 B 18 4.646 1.390 1.744 1.00 0.00 C HETATM 541 C6 AF2 B 18 3.321 1.714 2.102 1.00 0.00 C HETATM 542 N6 AF2 B 18 2.321 1.713 1.237 1.00 0.00 N HETATM 543 N7 AF2 B 18 5.264 0.975 0.559 1.00 0.00 N HETATM 544 C8 AF2 B 18 6.515 0.854 0.913 1.00 0.00 C HETATM 545 N9 AF2 B 18 6.771 1.182 2.222 1.00 0.00 N HETATM 546 C1' AF2 B 18 8.080 1.246 2.911 1.00 0.00 C HETATM 547 OP2 AF2 B 18 10.674 -1.399 -2.010 1.00 0.00 O HETATM 548 C2' AF2 B 18 8.268 0.127 3.920 1.00 0.00 C HETATM 549 OP1 AF2 B 18 12.804 -1.374 -0.600 1.00 0.00 O HETATM 550 C3' AF2 B 18 9.528 -0.594 3.441 1.00 0.00 C HETATM 551 O3' AF2 B 18 10.274 -1.168 4.509 1.00 0.00 O HETATM 552 C4' AF2 B 18 10.219 0.478 2.613 1.00 0.00 C HETATM 553 O4' AF2 B 18 9.107 1.073 1.959 1.00 0.00 O HETATM 554 C5' AF2 B 18 11.241 -0.025 1.576 1.00 0.00 C HETATM 555 O5' AF2 B 18 10.651 -0.612 0.412 1.00 0.00 O HETATM 0 HN6A AF2 B 18 2.494 1.484 0.258 1.00 0.00 H new HETATM 0 H5'A AF2 B 18 11.872 0.809 1.269 1.00 0.00 H new HETATM 0 HN6 AF2 B 18 1.377 1.941 1.549 1.00 0.00 H new HETATM 0 H8 AF2 B 18 7.293 0.520 0.226 1.00 0.00 H new HETATM 0 H5' AF2 B 18 11.892 -0.759 2.050 1.00 0.00 H new HETATM 0 H4' AF2 B 18 10.829 1.129 3.239 1.00 0.00 H new HETATM 0 H3' AF2 B 18 9.350 -1.487 2.842 1.00 0.00 H new HETATM 0 H2' AF2 B 18 7.533 -0.668 4.043 1.00 0.00 H new HETATM 0 H2 AF2 B 18 3.700 2.319 5.281 1.00 0.00 H new HETATM 0 H1' AF2 B 18 8.115 2.210 3.419 1.00 0.00 H new HETATM 566 P TAF B 19 9.810 -2.550 5.208 1.00 0.00 P HETATM 567 OP1 TAF B 19 10.816 -2.891 6.230 1.00 0.00 O HETATM 568 OP2 TAF B 19 9.576 -3.487 4.078 1.00 0.00 O HETATM 569 O5' TAF B 19 8.395 -2.238 5.950 1.00 0.00 O HETATM 570 N1 TAF B 19 4.051 -0.955 5.462 1.00 0.00 N HETATM 571 C6 TAF B 19 4.657 -1.495 4.348 1.00 0.00 C HETATM 572 C2 TAF B 19 2.680 -0.677 5.471 1.00 0.00 C HETATM 573 O2 TAF B 19 2.085 -0.239 6.450 1.00 0.00 O HETATM 574 N3 TAF B 19 1.990 -0.935 4.309 1.00 0.00 N HETATM 575 C4 TAF B 19 2.521 -1.455 3.148 1.00 0.00 C HETATM 576 O4 TAF B 19 1.777 -1.626 2.184 1.00 0.00 O HETATM 577 C5 TAF B 19 3.952 -1.749 3.213 1.00 0.00 C HETATM 578 C5M TAF B 19 4.663 -2.351 2.015 1.00 0.00 C HETATM 579 F2' TAF B 19 4.663 -3.223 6.711 1.00 0.00 F HETATM 580 C2' TAF B 19 4.768 -2.114 7.541 1.00 0.00 C HETATM 581 C5' TAF B 19 8.345 -1.454 7.147 1.00 0.00 C HETATM 582 C4' TAF B 19 6.933 -1.043 7.626 1.00 0.00 C HETATM 583 O4' TAF B 19 6.171 -0.520 6.542 1.00 0.00 O HETATM 584 C1' TAF B 19 4.802 -0.816 6.741 1.00 0.00 C HETATM 585 C3' TAF B 19 6.100 -2.152 8.303 1.00 0.00 C HETATM 586 O3' TAF B 19 5.942 -1.963 9.724 1.00 0.00 O HETATM 0 H5'' TAF B 19 8.830 -2.015 7.946 1.00 0.00 H new HETATM 0 H73 TAF B 19 5.462 -1.683 1.692 1.00 0.00 H new HETATM 0 H72 TAF B 19 5.087 -3.317 2.291 1.00 0.00 H new HETATM 0 H71 TAF B 19 3.952 -2.486 1.200 1.00 0.00 H new HETATM 0 H6 TAF B 19 5.722 -1.723 4.377 1.00 0.00 H new HETATM 0 H5' TAF B 19 8.932 -0.549 6.991 1.00 0.00 H new HETATM 0 H4' TAF B 19 7.129 -0.294 8.393 1.00 0.00 H new HETATM 0 H3' TAF B 19 6.587 -3.125 8.247 1.00 0.00 H new HETATM 0 H3 TAF B 19 0.993 -0.722 4.306 1.00 0.00 H new HETATM 0 H2' TAF B 19 3.904 -2.144 8.205 1.00 0.00 H new HETATM 0 H1' TAF B 19 4.311 0.002 7.269 1.00 0.00 H new HETATM 598 P UFT B 20 5.367 -3.120 10.731 1.00 0.00 P HETATM 599 OP1 UFT B 20 5.505 -2.730 12.144 1.00 0.00 O HETATM 600 OP2 UFT B 20 5.844 -4.461 10.350 1.00 0.00 O HETATM 601 O5' UFT B 20 3.780 -3.215 10.513 1.00 0.00 O HETATM 602 N1 UFT B 20 0.282 -3.162 7.108 1.00 0.00 N HETATM 603 C6 UFT B 20 1.368 -3.734 6.478 1.00 0.00 C HETATM 604 C2 UFT B 20 -0.946 -3.068 6.452 1.00 0.00 C HETATM 605 O2 UFT B 20 -1.964 -2.631 6.976 1.00 0.00 O HETATM 606 N3 UFT B 20 -0.997 -3.510 5.153 1.00 0.00 N HETATM 607 C4 UFT B 20 0.035 -4.082 4.452 1.00 0.00 C HETATM 608 O4 UFT B 20 -0.166 -4.489 3.312 1.00 0.00 O HETATM 609 C5 UFT B 20 1.274 -4.183 5.196 1.00 0.00 C HETATM 610 F2' UFT B 20 -1.436 -3.581 9.621 1.00 0.00 F HETATM 611 C2' UFT B 20 -0.100 -3.854 9.473 1.00 0.00 C HETATM 612 C5' UFT B 20 2.914 -2.193 10.977 1.00 0.00 C HETATM 613 C4' UFT B 20 1.507 -2.356 10.395 1.00 0.00 C HETATM 614 O4' UFT B 20 1.602 -2.355 8.973 1.00 0.00 O HETATM 615 C1' UFT B 20 0.322 -2.726 8.532 1.00 0.00 C HETATM 616 C3' UFT B 20 0.811 -3.692 10.697 1.00 0.00 C HETATM 617 O3' UFT B 20 0.178 -3.895 11.977 1.00 0.00 O HETATM 0 H5'A UFT B 20 2.866 -2.219 12.066 1.00 0.00 H new HETATM 0 HN3 UFT B 20 -1.885 -3.403 4.663 1.00 0.00 H new HETATM 0 H6 UFT B 20 2.313 -3.828 7.013 1.00 0.00 H new HETATM 0 H5' UFT B 20 3.315 -1.218 10.699 1.00 0.00 H new HETATM 0 H5 UFT B 20 2.148 -4.627 4.720 1.00 0.00 H new HETATM 0 H4' UFT B 20 0.938 -1.542 10.845 1.00 0.00 H new HETATM 0 H3' UFT B 20 1.548 -4.484 10.833 1.00 0.00 H new HETATM 0 H2' UFT B 20 0.004 -4.899 9.182 1.00 0.00 H new HETATM 0 H1' UFT B 20 -0.356 -1.873 8.561 1.00 0.00 H new HETATM 627 P CFL B 21 -0.367 -5.371 12.429 1.00 0.00 P HETATM 628 O1P CFL B 21 -0.809 -5.412 13.850 1.00 0.00 O HETATM 629 O2P CFL B 21 0.653 -6.341 11.978 1.00 0.00 O HETATM 630 O5' CFL B 21 -1.735 -5.597 11.600 1.00 0.00 O HETATM 631 C5' CFL B 21 -2.880 -4.786 11.881 1.00 0.00 C HETATM 632 C4' CFL B 21 -4.134 -5.070 11.031 1.00 0.00 C HETATM 633 O4' CFL B 21 -3.926 -4.800 9.651 1.00 0.00 O HETATM 634 C3' CFL B 21 -4.678 -6.499 11.171 1.00 0.00 C HETATM 635 O3' CFL B 21 -6.017 -6.542 11.713 1.00 0.00 O HETATM 636 C2' CFL B 21 -4.525 -7.072 9.765 1.00 0.00 C HETATM 637 C1' CFL B 21 -4.511 -5.829 8.879 1.00 0.00 C HETATM 638 N1 CFL B 21 -3.789 -6.004 7.586 1.00 0.00 N HETATM 639 C2 CFL B 21 -4.533 -6.138 6.409 1.00 0.00 C HETATM 640 O2 CFL B 21 -5.761 -6.058 6.410 1.00 0.00 O HETATM 641 N3 CFL B 21 -3.912 -6.369 5.230 1.00 0.00 N HETATM 642 C4 CFL B 21 -2.597 -6.474 5.204 1.00 0.00 C HETATM 643 N4 CFL B 21 -2.066 -6.638 4.017 1.00 0.00 N HETATM 644 C5 CFL B 21 -1.782 -6.332 6.371 1.00 0.00 C HETATM 645 C6 CFL B 21 -2.422 -6.101 7.546 1.00 0.00 C HETATM 646 F CFL B 21 -3.314 -7.710 9.650 1.00 0.00 F HETATM 0 HN42 CFL B 21 -1.055 -6.727 3.919 1.00 0.00 H new HETATM 0 HN41 CFL B 21 -2.664 -6.677 3.192 1.00 0.00 H new HETATM 0 H5'2 CFL B 21 -3.141 -4.913 12.932 1.00 0.00 H new HETATM 0 H5'1 CFL B 21 -2.602 -3.741 11.745 1.00 0.00 H new HETATM 0 H6 CFL B 21 -1.845 -5.992 8.464 1.00 0.00 H new HETATM 0 H5 CFL B 21 -0.696 -6.406 6.319 1.00 0.00 H new HETATM 0 H4' CFL B 21 -4.879 -4.385 11.435 1.00 0.00 H new HETATM 0 H3' CFL B 21 -4.137 -7.101 11.901 1.00 0.00 H new HETATM 0 H2' CFL B 21 -5.306 -7.789 9.511 1.00 0.00 H new HETATM 0 H1' CFL B 21 -5.533 -5.595 8.581 1.00 0.00 H new HETATM 657 F GF2 B 22 -8.633 -11.014 6.374 1.00 0.00 F HETATM 658 P GF2 B 22 -6.689 -7.932 12.239 1.00 0.00 P HETATM 659 N1 GF2 B 22 -5.703 -10.178 2.131 1.00 0.00 N HETATM 660 C2 GF2 B 22 -6.955 -10.112 2.661 1.00 0.00 C HETATM 661 N2 GF2 B 22 -7.977 -10.393 1.890 1.00 0.00 N HETATM 662 N3 GF2 B 22 -7.214 -9.836 3.933 1.00 0.00 N HETATM 663 C4 GF2 B 22 -6.087 -9.701 4.688 1.00 0.00 C HETATM 664 C5 GF2 B 22 -4.779 -9.786 4.267 1.00 0.00 C HETATM 665 C6 GF2 B 22 -4.538 -10.009 2.861 1.00 0.00 C HETATM 666 O6 GF2 B 22 -3.479 -10.108 2.243 1.00 0.00 O HETATM 667 N7 GF2 B 22 -3.925 -9.674 5.374 1.00 0.00 N HETATM 668 C8 GF2 B 22 -4.733 -9.509 6.389 1.00 0.00 C HETATM 669 N9 GF2 B 22 -6.061 -9.498 6.043 1.00 0.00 N HETATM 670 C1' GF2 B 22 -7.276 -9.335 6.869 1.00 0.00 C HETATM 671 OP2 GF2 B 22 -5.613 -8.743 12.843 1.00 0.00 O HETATM 672 C2' GF2 B 22 -7.842 -10.631 7.431 1.00 0.00 C HETATM 673 OP1 GF2 B 22 -7.940 -7.706 12.996 1.00 0.00 O HETATM 674 C3' GF2 B 22 -8.542 -10.148 8.703 1.00 0.00 C HETATM 675 O3' GF2 B 22 -9.899 -10.563 8.834 1.00 0.00 O HETATM 676 C4' GF2 B 22 -8.317 -8.638 8.699 1.00 0.00 C HETATM 677 O4' GF2 B 22 -7.110 -8.472 7.967 1.00 0.00 O HETATM 678 C5' GF2 B 22 -8.209 -8.030 10.101 1.00 0.00 C HETATM 679 O5' GF2 B 22 -7.183 -8.636 10.884 1.00 0.00 O HETATM 0 HN2A GF2 B 22 -8.925 -10.351 2.264 1.00 0.00 H new HETATM 0 H5'A GF2 B 22 -8.012 -6.961 10.015 1.00 0.00 H new HETATM 0 HN2 GF2 B 22 -7.824 -10.654 0.916 1.00 0.00 H new HETATM 0 HN1 GF2 B 22 -5.617 -10.364 1.132 1.00 0.00 H new HETATM 0 H8 GF2 B 22 -4.384 -9.391 7.415 1.00 0.00 H new HETATM 0 H5' GF2 B 22 -9.164 -8.138 10.614 1.00 0.00 H new HETATM 0 H4' GF2 B 22 -9.165 -8.116 8.257 1.00 0.00 H new HETATM 0 H3' GF2 B 22 -8.123 -10.609 9.598 1.00 0.00 H new HETATM 0 H2' GF2 B 22 -7.215 -11.474 7.722 1.00 0.00 H new HETATM 0 H1' GF2 B 22 -7.971 -8.909 6.146 1.00 0.00 H new HETATM 690 P CFL B 23 -10.301 -12.082 9.209 1.00 0.00 P HETATM 691 O1P CFL B 23 -11.721 -12.060 9.611 1.00 0.00 O HETATM 692 O2P CFL B 23 -9.284 -12.516 10.196 1.00 0.00 O HETATM 693 O5' CFL B 23 -10.175 -12.942 7.829 1.00 0.00 O HETATM 694 C5' CFL B 23 -11.170 -12.837 6.802 1.00 0.00 C HETATM 695 C4' CFL B 23 -10.943 -13.610 5.480 1.00 0.00 C HETATM 696 O4' CFL B 23 -9.859 -13.090 4.716 1.00 0.00 O HETATM 697 C3' CFL B 23 -10.717 -15.128 5.557 1.00 0.00 C HETATM 698 O3' CFL B 23 -11.452 -15.760 4.484 1.00 0.00 O HETATM 699 C2' CFL B 23 -9.214 -15.264 5.407 1.00 0.00 C HETATM 700 C1' CFL B 23 -9.034 -14.186 4.338 1.00 0.00 C HETATM 701 N1 CFL B 23 -7.636 -13.744 4.140 1.00 0.00 N HETATM 702 C2 CFL B 23 -7.050 -13.888 2.882 1.00 0.00 C HETATM 703 O2 CFL B 23 -7.682 -14.317 1.921 1.00 0.00 O HETATM 704 N3 CFL B 23 -5.744 -13.584 2.700 1.00 0.00 N HETATM 705 C4 CFL B 23 -5.042 -13.129 3.725 1.00 0.00 C HETATM 706 N4 CFL B 23 -3.782 -12.884 3.469 1.00 0.00 N HETATM 707 C5 CFL B 23 -5.610 -12.905 5.019 1.00 0.00 C HETATM 708 C6 CFL B 23 -6.917 -13.235 5.184 1.00 0.00 C HETATM 709 F CFL B 23 -8.525 -15.035 6.581 1.00 0.00 F HETATM 0 HN42 CFL B 23 -3.171 -12.530 4.206 1.00 0.00 H new HETATM 0 HN41 CFL B 23 -3.411 -13.047 2.533 1.00 0.00 H new HETATM 0 H5'2 CFL B 23 -12.119 -13.169 7.223 1.00 0.00 H new HETATM 0 H5'1 CFL B 23 -11.283 -11.781 6.555 1.00 0.00 H new HETATM 0 H6 CFL B 23 -7.394 -13.093 6.154 1.00 0.00 H new HETATM 0 H5 CFL B 23 -5.020 -12.488 5.836 1.00 0.00 H new HETATM 0 H4' CFL B 23 -11.914 -13.452 5.011 1.00 0.00 H new HETATM 0 H3' CFL B 23 -11.063 -15.603 6.475 1.00 0.00 H new HETATM 0 H2' CFL B 23 -8.830 -16.251 5.150 1.00 0.00 H new HETATM 0 H1' CFL B 23 -9.321 -14.608 3.375 1.00 0.00 H new HETATM 720 F GF2 B 24 -6.192 -19.418 5.154 1.00 0.00 F HETATM 721 P GF2 B 24 -11.368 -17.342 4.113 1.00 0.00 P HETATM 722 N1 GF2 B 24 -2.043 -16.360 1.144 1.00 0.00 N HETATM 723 C2 GF2 B 24 -3.090 -17.022 0.603 1.00 0.00 C HETATM 724 N2 GF2 B 24 -2.947 -17.374 -0.645 1.00 0.00 N HETATM 725 N3 GF2 B 24 -4.221 -17.304 1.224 1.00 0.00 N HETATM 726 C4 GF2 B 24 -4.253 -16.815 2.498 1.00 0.00 C HETATM 727 C5 GF2 B 24 -3.256 -16.132 3.159 1.00 0.00 C HETATM 728 C6 GF2 B 24 -2.032 -15.864 2.436 1.00 0.00 C HETATM 729 O6 GF2 B 24 -0.996 -15.298 2.778 1.00 0.00 O HETATM 730 N7 GF2 B 24 -3.668 -15.874 4.473 1.00 0.00 N HETATM 731 C8 GF2 B 24 -4.865 -16.398 4.550 1.00 0.00 C HETATM 732 N9 GF2 B 24 -5.276 -17.020 3.390 1.00 0.00 N HETATM 733 C1' GF2 B 24 -6.296 -18.065 3.124 1.00 0.00 C HETATM 734 OP2 GF2 B 24 -11.307 -18.094 5.382 1.00 0.00 O HETATM 735 C2' GF2 B 24 -7.019 -18.747 4.276 1.00 0.00 C HETATM 736 OP1 GF2 B 24 -12.417 -17.637 3.113 1.00 0.00 O HETATM 737 C3' GF2 B 24 -7.816 -19.713 3.399 1.00 0.00 C HETATM 738 O3' GF2 B 24 -6.904 -20.672 2.880 1.00 0.00 O HETATM 739 C4' GF2 B 24 -8.251 -18.810 2.217 1.00 0.00 C HETATM 740 O4' GF2 B 24 -7.343 -17.705 2.238 1.00 0.00 O HETATM 741 C5' GF2 B 24 -9.710 -18.322 2.274 1.00 0.00 C HETATM 742 O5' GF2 B 24 -9.932 -17.471 3.387 1.00 0.00 O HETATM 0 HO3' GF2 B 24 -6.111 -20.714 3.455 1.00 0.00 H new HETATM 0 HN2A GF2 B 24 -3.695 -17.877 -1.122 1.00 0.00 H new HETATM 0 H5'A GF2 B 24 -9.953 -17.790 1.354 1.00 0.00 H new HETATM 0 HN2 GF2 B 24 -2.087 -17.146 -1.144 1.00 0.00 H new HETATM 0 HN1 GF2 B 24 -1.214 -16.218 0.567 1.00 0.00 H new HETATM 0 H8 GF2 B 24 -5.480 -16.347 5.448 1.00 0.00 H new HETATM 0 H5' GF2 B 24 -10.379 -19.180 2.332 1.00 0.00 H new HETATM 0 H4' GF2 B 24 -8.214 -19.386 1.292 1.00 0.00 H new HETATM 0 H3' GF2 B 24 -8.635 -20.215 3.914 1.00 0.00 H new HETATM 0 H2' GF2 B 24 -7.561 -18.091 4.957 1.00 0.00 H new HETATM 0 H1' GF2 B 24 -5.575 -18.763 2.697 1.00 0.00 H new TER 754 GF2 B 24