USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 392 hydrogens (112 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 1 DT C7 :methyl -30:sc= -0.0126 (180deg=-2.64) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc= 0 (180deg=-0.897) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 7 DMY N8 :NH3+ -125:sc= 0.585 (180deg=-0.0367) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 7 DMY N8 :NH3+ -163:sc= 0.268 (180deg=0.162) USER MOD Single : E 1 DT C7 :methyl 150:sc=-0.00288 (180deg=-0.00288) USER MOD Single : E 1 DT O5' : rot 180:sc= 0 USER MOD Single : E 6 DT C7 :methyl -30:sc= -0.166 (180deg=-0.422) USER MOD Single : E 6 DT O3' : rot 180:sc= 0 USER MOD Single : E 7 DMY N8 :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 1 DT C7 :methyl -30:sc= 0 (180deg=-1.92) USER MOD Single : F 1 DT O5' : rot 180:sc= 0 USER MOD Single : F 6 DT C7 :methyl -30:sc= -0.0963 (180deg=-0.542) USER MOD Single : F 6 DT O3' : rot 180:sc= 0 USER MOD Single : F 7 DMY N8 :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 12.258 19.400 8.142 1.00 0.00 O ATOM 2 C5' DT A 1 12.305 18.500 7.035 1.00 0.00 C ATOM 3 C4' DT A 1 10.914 17.909 6.743 1.00 0.00 C ATOM 4 O4' DT A 1 10.952 17.248 5.469 1.00 0.00 O ATOM 5 C3' DT A 1 10.431 16.848 7.737 1.00 0.00 C ATOM 6 O3' DT A 1 9.609 17.431 8.758 1.00 0.00 O ATOM 7 C2' DT A 1 9.592 15.895 6.892 1.00 0.00 C ATOM 8 C1' DT A 1 9.903 16.260 5.436 1.00 0.00 C ATOM 9 N1 DT A 1 10.327 15.100 4.606 1.00 0.00 N ATOM 10 C2 DT A 1 9.520 14.651 3.575 1.00 0.00 C ATOM 11 O2 DT A 1 8.487 15.230 3.243 1.00 0.00 O ATOM 12 N3 DT A 1 9.866 13.558 2.855 1.00 0.00 N ATOM 13 C4 DT A 1 10.995 12.842 3.045 1.00 0.00 C ATOM 14 O4 DT A 1 11.246 11.902 2.296 1.00 0.00 O ATOM 15 C5 DT A 1 11.963 13.304 4.175 1.00 0.00 C ATOM 16 C7 DT A 1 13.282 12.599 4.394 1.00 0.00 C ATOM 17 C6 DT A 1 11.595 14.381 4.917 1.00 0.00 C ATOM 0 H5' DT A 1 13.009 17.695 7.246 1.00 0.00 H new ATOM 0 H5'' DT A 1 12.674 19.023 6.153 1.00 0.00 H new ATOM 0 H4' DT A 1 10.234 18.759 6.797 1.00 0.00 H new ATOM 0 H3' DT A 1 11.264 16.359 8.243 1.00 0.00 H new ATOM 0 H2' DT A 1 9.849 14.856 7.100 1.00 0.00 H new ATOM 0 H2'' DT A 1 8.530 16.010 7.108 1.00 0.00 H new ATOM 0 HO5' DT A 1 13.154 19.761 8.309 1.00 0.00 H new ATOM 0 H1' DT A 1 8.992 16.634 4.969 1.00 0.00 H new ATOM 0 H3 DT A 1 9.230 13.254 2.118 1.00 0.00 H new ATOM 0 H71 DT A 1 13.189 11.553 4.101 1.00 0.00 H new ATOM 0 H72 DT A 1 14.055 13.077 3.792 1.00 0.00 H new ATOM 0 H73 DT A 1 13.555 12.657 5.448 1.00 0.00 H new ATOM 0 H6 DT A 1 12.221 14.716 5.731 1.00 0.00 H new ATOM 31 P DG A 2 9.465 16.729 10.207 1.00 0.00 P ATOM 32 OP1 DG A 2 10.282 17.563 11.203 1.00 0.00 O ATOM 33 OP2 DG A 2 10.025 15.315 10.113 1.00 0.00 O ATOM 34 O5' DG A 2 7.913 16.667 10.651 1.00 0.00 O ATOM 35 C5' DG A 2 6.807 17.340 9.999 1.00 0.00 C ATOM 36 C4' DG A 2 5.509 16.491 10.016 1.00 0.00 C ATOM 37 O4' DG A 2 5.531 15.593 8.884 1.00 0.00 O ATOM 38 C3' DG A 2 5.286 15.648 11.295 1.00 0.00 C ATOM 39 O3' DG A 2 3.910 15.705 11.731 1.00 0.00 O ATOM 40 C2' DG A 2 5.677 14.247 10.835 1.00 0.00 C ATOM 41 C1' DG A 2 5.361 14.242 9.336 1.00 0.00 C ATOM 42 N9 DG A 2 6.261 13.346 8.555 1.00 0.00 N ATOM 43 C8 DG A 2 7.649 13.310 8.468 1.00 0.00 C ATOM 44 N7 DG A 2 8.303 12.380 7.695 1.00 0.00 N ATOM 45 C5 DG A 2 7.175 11.736 7.221 1.00 0.00 C ATOM 46 C6 DG A 2 7.115 10.567 6.209 1.00 0.00 C ATOM 47 O6 DG A 2 8.117 10.033 5.747 1.00 0.00 O ATOM 48 N1 DG A 2 5.870 10.177 5.834 1.00 0.00 N ATOM 49 C2 DG A 2 4.668 10.829 6.318 1.00 0.00 C ATOM 50 N2 DG A 2 3.452 10.440 5.848 1.00 0.00 N ATOM 51 N3 DG A 2 4.712 11.803 7.153 1.00 0.00 N ATOM 52 C4 DG A 2 5.948 12.311 7.688 1.00 0.00 C ATOM 0 H5' DG A 2 7.078 17.564 8.967 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.622 18.293 10.494 1.00 0.00 H new ATOM 0 H4' DG A 2 4.689 17.208 9.979 1.00 0.00 H new ATOM 0 H3' DG A 2 5.860 15.996 12.154 1.00 0.00 H new ATOM 0 H2' DG A 2 6.732 14.047 11.020 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.110 13.481 11.364 1.00 0.00 H new ATOM 0 H1' DG A 2 4.349 13.867 9.184 1.00 0.00 H new ATOM 0 H8 DG A 2 8.229 14.033 9.023 1.00 0.00 H new ATOM 0 H1 DG A 2 5.776 9.395 5.186 1.00 0.00 H new ATOM 0 H21 DG A 2 2.605 10.896 6.186 1.00 0.00 H new ATOM 0 H22 DG A 2 3.388 9.692 5.157 1.00 0.00 H new ATOM 64 P DG A 3 3.416 15.072 13.147 1.00 0.00 P ATOM 65 OP1 DG A 3 2.456 16.065 13.819 1.00 0.00 O ATOM 66 OP2 DG A 3 4.599 14.870 14.089 1.00 0.00 O ATOM 67 O5' DG A 3 2.651 13.671 12.887 1.00 0.00 O ATOM 68 C5' DG A 3 1.564 13.530 11.936 1.00 0.00 C ATOM 69 C4' DG A 3 1.454 12.097 11.367 1.00 0.00 C ATOM 70 O4' DG A 3 2.586 11.820 10.483 1.00 0.00 O ATOM 71 C3' DG A 3 1.418 10.986 12.455 1.00 0.00 C ATOM 72 O3' DG A 3 0.437 9.953 12.196 1.00 0.00 O ATOM 73 C2' DG A 3 2.774 10.333 12.214 1.00 0.00 C ATOM 74 C1' DG A 3 2.898 10.443 10.705 1.00 0.00 C ATOM 75 N9 DG A 3 4.223 9.983 10.199 1.00 0.00 N ATOM 76 C8 DG A 3 5.534 10.307 10.531 1.00 0.00 C ATOM 77 N7 DG A 3 6.601 9.572 10.052 1.00 0.00 N ATOM 78 C5 DG A 3 5.860 8.662 9.309 1.00 0.00 C ATOM 79 C6 DG A 3 6.383 7.544 8.365 1.00 0.00 C ATOM 80 O6 DG A 3 7.572 7.303 8.210 1.00 0.00 O ATOM 81 N1 DG A 3 5.436 6.853 7.677 1.00 0.00 N ATOM 82 C2 DG A 3 4.021 7.140 7.809 1.00 0.00 C ATOM 83 N2 DG A 3 3.113 6.436 7.080 1.00 0.00 N ATOM 84 N3 DG A 3 3.586 8.058 8.590 1.00 0.00 N ATOM 85 C4 DG A 3 4.453 8.895 9.374 1.00 0.00 C ATOM 0 H5' DG A 3 1.711 14.232 11.116 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.625 13.798 12.421 1.00 0.00 H new ATOM 0 H4' DG A 3 0.505 12.070 10.832 1.00 0.00 H new ATOM 0 H3' DG A 3 1.194 11.393 13.441 1.00 0.00 H new ATOM 0 H2' DG A 3 3.579 10.856 12.731 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.797 9.297 12.553 1.00 0.00 H new ATOM 0 H1' DG A 3 2.234 9.786 10.142 1.00 0.00 H new ATOM 0 H8 DG A 3 5.722 11.152 11.177 1.00 0.00 H new ATOM 0 H1 DG A 3 5.731 6.107 7.047 1.00 0.00 H new ATOM 0 H21 DG A 3 2.118 6.638 7.173 1.00 0.00 H new ATOM 0 H22 DG A 3 3.428 5.706 6.441 1.00 0.00 H new ATOM 97 P DG A 4 -1.078 9.862 12.732 1.00 0.00 P ATOM 98 OP1 DG A 4 -1.957 10.961 12.132 1.00 0.00 O ATOM 99 OP2 DG A 4 -1.153 9.983 14.266 1.00 0.00 O ATOM 100 O5' DG A 4 -1.687 8.406 12.372 1.00 0.00 O ATOM 101 C5' DG A 4 -1.838 7.872 11.022 1.00 0.00 C ATOM 102 C4' DG A 4 -1.372 6.395 10.877 1.00 0.00 C ATOM 103 O4' DG A 4 0.011 6.366 10.431 1.00 0.00 O ATOM 104 C3' DG A 4 -1.437 5.539 12.174 1.00 0.00 C ATOM 105 O3' DG A 4 -2.029 4.240 11.982 1.00 0.00 O ATOM 106 C2' DG A 4 0.044 5.361 12.491 1.00 0.00 C ATOM 107 C1' DG A 4 0.632 5.265 11.093 1.00 0.00 C ATOM 108 N9 DG A 4 2.121 5.327 11.069 1.00 0.00 N ATOM 109 C8 DG A 4 3.050 6.037 11.826 1.00 0.00 C ATOM 110 N7 DG A 4 4.402 5.791 11.724 1.00 0.00 N ATOM 111 C5 DG A 4 4.320 4.815 10.743 1.00 0.00 C ATOM 112 C6 DG A 4 5.485 4.049 10.063 1.00 0.00 C ATOM 113 O6 DG A 4 6.658 4.219 10.368 1.00 0.00 O ATOM 114 N1 DG A 4 5.130 3.163 9.094 1.00 0.00 N ATOM 115 C2 DG A 4 3.743 2.921 8.741 1.00 0.00 C ATOM 116 N2 DG A 4 3.424 1.991 7.799 1.00 0.00 N ATOM 117 N3 DG A 4 2.777 3.538 9.313 1.00 0.00 N ATOM 118 C4 DG A 4 2.980 4.534 10.330 1.00 0.00 C ATOM 0 H5' DG A 4 -1.269 8.493 10.330 1.00 0.00 H new ATOM 0 H5'' DG A 4 -2.885 7.944 10.728 1.00 0.00 H new ATOM 0 H4' DG A 4 -2.073 5.960 10.165 1.00 0.00 H new ATOM 0 H3' DG A 4 -2.047 6.013 12.943 1.00 0.00 H new ATOM 0 H2' DG A 4 0.450 6.203 13.052 1.00 0.00 H new ATOM 0 H2'' DG A 4 0.234 4.464 13.081 1.00 0.00 H new ATOM 0 H1' DG A 4 0.439 4.306 10.612 1.00 0.00 H new ATOM 0 H8 DG A 4 2.703 6.798 12.509 1.00 0.00 H new ATOM 0 H1 DG A 4 5.862 2.652 8.600 1.00 0.00 H new ATOM 0 H21 DG A 4 2.447 1.826 7.556 1.00 0.00 H new ATOM 0 H22 DG A 4 4.162 1.460 7.337 1.00 0.00 H new ATOM 130 P DG A 5 -2.540 3.340 13.225 1.00 0.00 P ATOM 131 OP1 DG A 5 -3.734 4.048 13.885 1.00 0.00 O ATOM 132 OP2 DG A 5 -1.479 3.272 14.329 1.00 0.00 O ATOM 133 O5' DG A 5 -2.952 1.847 12.742 1.00 0.00 O ATOM 134 C5' DG A 5 -3.419 1.501 11.404 1.00 0.00 C ATOM 135 C4' DG A 5 -2.683 0.265 10.827 1.00 0.00 C ATOM 136 O4' DG A 5 -1.321 0.654 10.531 1.00 0.00 O ATOM 137 C3' DG A 5 -2.633 -0.949 11.798 1.00 0.00 C ATOM 138 O3' DG A 5 -2.950 -2.219 11.167 1.00 0.00 O ATOM 139 C2' DG A 5 -1.174 -0.914 12.244 1.00 0.00 C ATOM 140 C1' DG A 5 -0.457 -0.372 11.012 1.00 0.00 C ATOM 141 N9 DG A 5 0.909 0.147 11.311 1.00 0.00 N ATOM 142 C8 DG A 5 1.388 1.033 12.274 1.00 0.00 C ATOM 143 N7 DG A 5 2.740 1.240 12.450 1.00 0.00 N ATOM 144 C5 DG A 5 3.172 0.413 11.423 1.00 0.00 C ATOM 145 C6 DG A 5 4.632 0.097 11.003 1.00 0.00 C ATOM 146 O6 DG A 5 5.609 0.566 11.578 1.00 0.00 O ATOM 147 N1 DG A 5 4.773 -0.760 9.956 1.00 0.00 N ATOM 148 C2 DG A 5 3.633 -1.354 9.277 1.00 0.00 C ATOM 149 N2 DG A 5 3.826 -2.230 8.249 1.00 0.00 N ATOM 150 N3 DG A 5 2.429 -1.106 9.635 1.00 0.00 N ATOM 151 C4 DG A 5 2.101 -0.222 10.718 1.00 0.00 C ATOM 0 H5' DG A 5 -3.272 2.352 10.739 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.490 1.302 11.435 1.00 0.00 H new ATOM 0 H4' DG A 5 -3.238 -0.053 9.945 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.370 -0.875 12.598 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.032 -0.269 13.111 1.00 0.00 H new ATOM 0 H2'' DG A 5 -0.812 -1.904 12.520 1.00 0.00 H new ATOM 0 H1' DG A 5 -0.280 -1.155 10.275 1.00 0.00 H new ATOM 0 H8 DG A 5 0.686 1.569 12.895 1.00 0.00 H new ATOM 0 H1 DG A 5 5.713 -0.994 9.636 1.00 0.00 H new ATOM 0 H21 DG A 5 3.024 -2.645 7.775 1.00 0.00 H new ATOM 0 H22 DG A 5 4.773 -2.470 7.955 1.00 0.00 H new ATOM 163 P DT A 6 -3.107 -3.613 12.003 1.00 0.00 P ATOM 164 OP1 DT A 6 -4.443 -4.286 11.654 1.00 0.00 O ATOM 165 OP2 DT A 6 -3.104 -3.364 13.515 1.00 0.00 O ATOM 166 O5' DT A 6 -1.905 -4.640 11.638 1.00 0.00 O ATOM 167 C5' DT A 6 -1.700 -5.140 10.295 1.00 0.00 C ATOM 168 C4' DT A 6 -0.263 -5.643 10.053 1.00 0.00 C ATOM 169 O4' DT A 6 0.665 -4.554 10.119 1.00 0.00 O ATOM 170 C3' DT A 6 0.287 -6.655 11.065 1.00 0.00 C ATOM 171 O3' DT A 6 -0.192 -7.978 10.849 1.00 0.00 O ATOM 172 C2' DT A 6 1.787 -6.541 10.813 1.00 0.00 C ATOM 173 C1' DT A 6 1.986 -5.066 10.400 1.00 0.00 C ATOM 174 N1 DT A 6 2.665 -4.274 11.465 1.00 0.00 N ATOM 175 C2 DT A 6 4.039 -4.128 11.436 1.00 0.00 C ATOM 176 O2 DT A 6 4.741 -4.682 10.591 1.00 0.00 O ATOM 177 N3 DT A 6 4.682 -3.385 12.358 1.00 0.00 N ATOM 178 C4 DT A 6 4.073 -2.744 13.384 1.00 0.00 C ATOM 179 O4 DT A 6 4.758 -2.122 14.191 1.00 0.00 O ATOM 180 C5 DT A 6 2.518 -2.883 13.495 1.00 0.00 C ATOM 181 C7 DT A 6 1.745 -2.203 14.611 1.00 0.00 C ATOM 182 C6 DT A 6 1.882 -3.602 12.540 1.00 0.00 C ATOM 0 H5' DT A 6 -1.928 -4.349 9.580 1.00 0.00 H new ATOM 0 H5'' DT A 6 -2.401 -5.953 10.105 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.347 -6.124 9.079 1.00 0.00 H new ATOM 0 H3' DT A 6 -0.016 -6.450 12.092 1.00 0.00 H new ATOM 0 H2' DT A 6 2.361 -6.786 11.706 1.00 0.00 H new ATOM 0 H2'' DT A 6 2.113 -7.223 10.027 1.00 0.00 H new ATOM 0 HO3' DT A 6 0.192 -8.579 11.521 1.00 0.00 H new ATOM 0 H1' DT A 6 2.637 -4.989 9.529 1.00 0.00 H new ATOM 0 H3 DT A 6 5.695 -3.300 12.278 1.00 0.00 H new ATOM 0 H71 DT A 6 2.377 -2.123 15.495 1.00 0.00 H new ATOM 0 H72 DT A 6 1.443 -1.206 14.290 1.00 0.00 H new ATOM 0 H73 DT A 6 0.859 -2.791 14.850 1.00 0.00 H new ATOM 0 H6 DT A 6 0.806 -3.689 12.557 1.00 0.00 H new TER 196 DT A 6 ATOM 197 O5' DT B 1 7.853 7.620 -6.951 1.00 0.00 O ATOM 198 C5' DT B 1 7.686 6.443 -6.159 1.00 0.00 C ATOM 199 C4' DT B 1 8.928 6.166 -5.289 1.00 0.00 C ATOM 200 O4' DT B 1 9.106 7.274 -4.375 1.00 0.00 O ATOM 201 C3' DT B 1 8.786 4.885 -4.432 1.00 0.00 C ATOM 202 O3' DT B 1 10.009 4.131 -4.389 1.00 0.00 O ATOM 203 C2' DT B 1 8.511 5.444 -3.044 1.00 0.00 C ATOM 204 C1' DT B 1 9.290 6.760 -3.045 1.00 0.00 C ATOM 205 N1 DT B 1 8.825 7.750 -2.030 1.00 0.00 N ATOM 206 C2 DT B 1 9.696 8.200 -1.052 1.00 0.00 C ATOM 207 O2 DT B 1 10.875 7.851 -1.023 1.00 0.00 O ATOM 208 N3 DT B 1 9.298 9.068 -0.098 1.00 0.00 N ATOM 209 C4 DT B 1 8.055 9.602 -0.025 1.00 0.00 C ATOM 210 O4 DT B 1 7.777 10.434 0.834 1.00 0.00 O ATOM 211 C5 DT B 1 7.023 9.164 -1.114 1.00 0.00 C ATOM 212 C7 DT B 1 5.610 9.717 -1.077 1.00 0.00 C ATOM 213 C6 DT B 1 7.429 8.272 -2.046 1.00 0.00 C ATOM 0 H5' DT B 1 7.499 5.589 -6.810 1.00 0.00 H new ATOM 0 H5'' DT B 1 6.810 6.555 -5.520 1.00 0.00 H new ATOM 0 H4' DT B 1 9.773 6.038 -5.966 1.00 0.00 H new ATOM 0 H3' DT B 1 8.022 4.212 -4.822 1.00 0.00 H new ATOM 0 H2' DT B 1 7.446 5.605 -2.877 1.00 0.00 H new ATOM 0 H2'' DT B 1 8.858 4.770 -2.261 1.00 0.00 H new ATOM 0 HO5' DT B 1 7.049 7.767 -7.492 1.00 0.00 H new ATOM 0 H1' DT B 1 10.332 6.584 -2.777 1.00 0.00 H new ATOM 0 H3 DT B 1 9.977 9.339 0.614 1.00 0.00 H new ATOM 0 H71 DT B 1 5.214 9.771 -2.091 1.00 0.00 H new ATOM 0 H72 DT B 1 4.979 9.063 -0.475 1.00 0.00 H new ATOM 0 H73 DT B 1 5.621 10.715 -0.639 1.00 0.00 H new ATOM 0 H6 DT B 1 6.738 7.936 -2.805 1.00 0.00 H new ATOM 227 P DG B 2 10.309 2.908 -5.403 1.00 0.00 P ATOM 228 OP1 DG B 2 10.670 3.477 -6.783 1.00 0.00 O ATOM 229 OP2 DG B 2 9.034 2.078 -5.599 1.00 0.00 O ATOM 230 O5' DG B 2 11.516 1.977 -4.843 1.00 0.00 O ATOM 231 C5' DG B 2 12.925 2.353 -4.832 1.00 0.00 C ATOM 232 C4' DG B 2 13.610 2.258 -3.444 1.00 0.00 C ATOM 233 O4' DG B 2 13.317 3.452 -2.697 1.00 0.00 O ATOM 234 C3' DG B 2 13.211 1.064 -2.545 1.00 0.00 C ATOM 235 O3' DG B 2 14.128 -0.068 -2.548 1.00 0.00 O ATOM 236 C2' DG B 2 13.019 1.675 -1.153 1.00 0.00 C ATOM 237 C1' DG B 2 13.419 3.156 -1.300 1.00 0.00 C ATOM 238 N9 DG B 2 12.518 4.079 -0.551 1.00 0.00 N ATOM 239 C8 DG B 2 11.142 4.212 -0.623 1.00 0.00 C ATOM 240 N7 DG B 2 10.439 5.002 0.254 1.00 0.00 N ATOM 241 C5 DG B 2 11.538 5.509 0.930 1.00 0.00 C ATOM 242 C6 DG B 2 11.543 6.600 2.030 1.00 0.00 C ATOM 243 O6 DG B 2 10.519 7.121 2.461 1.00 0.00 O ATOM 244 N1 DG B 2 12.766 6.984 2.476 1.00 0.00 N ATOM 245 C2 DG B 2 13.997 6.457 1.920 1.00 0.00 C ATOM 246 N2 DG B 2 15.191 6.937 2.364 1.00 0.00 N ATOM 247 N3 DG B 2 14.003 5.577 0.984 1.00 0.00 N ATOM 248 C4 DG B 2 12.792 5.012 0.440 1.00 0.00 C ATOM 0 H5' DG B 2 13.017 3.375 -5.198 1.00 0.00 H new ATOM 0 H5'' DG B 2 13.463 1.714 -5.532 1.00 0.00 H new ATOM 0 H4' DG B 2 14.664 2.119 -3.684 1.00 0.00 H new ATOM 0 H3' DG B 2 12.305 0.596 -2.931 1.00 0.00 H new ATOM 0 H2' DG B 2 11.986 1.578 -0.820 1.00 0.00 H new ATOM 0 H2'' DG B 2 13.641 1.171 -0.413 1.00 0.00 H new ATOM 0 H1' DG B 2 14.420 3.301 -0.895 1.00 0.00 H new ATOM 0 H8 DG B 2 10.604 3.678 -1.393 1.00 0.00 H new ATOM 0 H1 DG B 2 12.821 7.669 3.230 1.00 0.00 H new ATOM 0 H21 DG B 2 16.062 6.572 1.979 1.00 0.00 H new ATOM 0 H22 DG B 2 15.214 7.661 3.082 1.00 0.00 H new ATOM 260 P DG B 3 15.716 -0.060 -2.202 1.00 0.00 P ATOM 261 OP1 DG B 3 16.504 0.021 -3.519 1.00 0.00 O ATOM 262 OP2 DG B 3 16.094 -1.372 -1.510 1.00 0.00 O ATOM 263 O5' DG B 3 16.078 1.222 -1.276 1.00 0.00 O ATOM 264 C5' DG B 3 17.244 1.366 -0.433 1.00 0.00 C ATOM 265 C4' DG B 3 16.887 1.534 1.065 1.00 0.00 C ATOM 266 O4' DG B 3 15.733 2.383 1.298 1.00 0.00 O ATOM 267 C3' DG B 3 16.572 0.224 1.815 1.00 0.00 C ATOM 268 O3' DG B 3 17.765 -0.455 2.310 1.00 0.00 O ATOM 269 C2' DG B 3 15.554 0.653 2.882 1.00 0.00 C ATOM 270 C1' DG B 3 15.416 2.165 2.683 1.00 0.00 C ATOM 271 N9 DG B 3 14.072 2.680 3.084 1.00 0.00 N ATOM 272 C8 DG B 3 12.780 2.364 2.683 1.00 0.00 C ATOM 273 N7 DG B 3 11.675 2.888 3.326 1.00 0.00 N ATOM 274 C5 DG B 3 12.371 3.665 4.243 1.00 0.00 C ATOM 275 C6 DG B 3 11.794 4.615 5.330 1.00 0.00 C ATOM 276 O6 DG B 3 10.592 4.767 5.510 1.00 0.00 O ATOM 277 N1 DG B 3 12.709 5.284 6.081 1.00 0.00 N ATOM 278 C2 DG B 3 14.141 5.129 5.876 1.00 0.00 C ATOM 279 N2 DG B 3 15.025 5.793 6.665 1.00 0.00 N ATOM 280 N3 DG B 3 14.611 4.365 4.964 1.00 0.00 N ATOM 281 C4 DG B 3 13.789 3.571 4.101 1.00 0.00 C ATOM 0 H5' DG B 3 17.820 2.230 -0.763 1.00 0.00 H new ATOM 0 H5'' DG B 3 17.883 0.491 -0.553 1.00 0.00 H new ATOM 0 H4' DG B 3 17.805 1.980 1.447 1.00 0.00 H new ATOM 0 H3' DG B 3 16.152 -0.552 1.175 1.00 0.00 H new ATOM 0 H2' DG B 3 14.599 0.145 2.748 1.00 0.00 H new ATOM 0 H2'' DG B 3 15.905 0.414 3.886 1.00 0.00 H new ATOM 0 H1' DG B 3 16.090 2.727 3.330 1.00 0.00 H new ATOM 0 H8 DG B 3 12.636 1.693 1.849 1.00 0.00 H new ATOM 0 H1 DG B 3 12.381 5.915 6.812 1.00 0.00 H new ATOM 0 H21 DG B 3 16.028 5.679 6.515 1.00 0.00 H new ATOM 0 H22 DG B 3 14.686 6.405 7.407 1.00 0.00 H new ATOM 293 P DG B 4 18.544 -0.264 3.731 1.00 0.00 P ATOM 294 OP1 DG B 4 20.002 -0.707 3.532 1.00 0.00 O ATOM 295 OP2 DG B 4 17.916 -1.163 4.809 1.00 0.00 O ATOM 296 O5' DG B 4 18.500 1.290 4.188 1.00 0.00 O ATOM 297 C5' DG B 4 19.347 1.898 5.203 1.00 0.00 C ATOM 298 C4' DG B 4 18.683 2.045 6.594 1.00 0.00 C ATOM 299 O4' DG B 4 17.298 2.492 6.512 1.00 0.00 O ATOM 300 C3' DG B 4 18.688 0.757 7.462 1.00 0.00 C ATOM 301 O3' DG B 4 19.431 0.918 8.691 1.00 0.00 O ATOM 302 C2' DG B 4 17.212 0.613 7.812 1.00 0.00 C ATOM 303 C1' DG B 4 16.711 2.043 7.733 1.00 0.00 C ATOM 304 N9 DG B 4 15.224 2.107 7.769 1.00 0.00 N ATOM 305 C8 DG B 4 14.249 1.539 6.967 1.00 0.00 C ATOM 306 N7 DG B 4 12.908 1.659 7.268 1.00 0.00 N ATOM 307 C5 DG B 4 13.063 2.454 8.397 1.00 0.00 C ATOM 308 C6 DG B 4 11.958 3.033 9.321 1.00 0.00 C ATOM 309 O6 DG B 4 10.764 2.838 9.135 1.00 0.00 O ATOM 310 N1 DG B 4 12.392 3.761 10.383 1.00 0.00 N ATOM 311 C2 DG B 4 13.803 3.950 10.662 1.00 0.00 C ATOM 312 N2 DG B 4 14.204 4.590 11.791 1.00 0.00 N ATOM 313 N3 DG B 4 14.715 3.488 9.894 1.00 0.00 N ATOM 314 C4 DG B 4 14.430 2.725 8.713 1.00 0.00 C ATOM 0 H5' DG B 4 19.656 2.884 4.856 1.00 0.00 H new ATOM 0 H5'' DG B 4 20.252 1.299 5.308 1.00 0.00 H new ATOM 0 H4' DG B 4 19.312 2.795 7.074 1.00 0.00 H new ATOM 0 H3' DG B 4 19.144 -0.086 6.943 1.00 0.00 H new ATOM 0 H2' DG B 4 16.691 -0.038 7.110 1.00 0.00 H new ATOM 0 H2'' DG B 4 17.071 0.189 8.806 1.00 0.00 H new ATOM 0 H1' DG B 4 16.989 2.676 8.576 1.00 0.00 H new ATOM 0 H8 DG B 4 14.545 0.989 6.086 1.00 0.00 H new ATOM 0 H1 DG B 4 11.704 4.188 11.003 1.00 0.00 H new ATOM 0 H21 DG B 4 15.198 4.718 11.979 1.00 0.00 H new ATOM 0 H22 DG B 4 13.511 4.942 12.451 1.00 0.00 H new ATOM 326 P DG B 5 19.813 -0.308 9.679 1.00 0.00 P ATOM 327 OP1 DG B 5 21.207 -0.845 9.335 1.00 0.00 O ATOM 328 OP2 DG B 5 18.806 -1.476 9.530 1.00 0.00 O ATOM 329 O5' DG B 5 19.809 0.182 11.223 1.00 0.00 O ATOM 330 C5' DG B 5 20.051 1.538 11.706 1.00 0.00 C ATOM 331 C4' DG B 5 19.209 1.828 12.978 1.00 0.00 C ATOM 332 O4' DG B 5 17.837 2.056 12.561 1.00 0.00 O ATOM 333 C3' DG B 5 19.190 0.658 14.013 1.00 0.00 C ATOM 334 O3' DG B 5 19.279 1.098 15.400 1.00 0.00 O ATOM 335 C2' DG B 5 17.815 0.053 13.719 1.00 0.00 C ATOM 336 C1' DG B 5 17.002 1.310 13.438 1.00 0.00 C ATOM 337 N9 DG B 5 15.661 1.032 12.856 1.00 0.00 N ATOM 338 C8 DG B 5 15.246 0.314 11.743 1.00 0.00 C ATOM 339 N7 DG B 5 13.904 0.137 11.458 1.00 0.00 N ATOM 340 C5 DG B 5 13.413 0.918 12.501 1.00 0.00 C ATOM 341 C6 DG B 5 11.933 1.249 12.842 1.00 0.00 C ATOM 342 O6 DG B 5 10.985 0.768 12.229 1.00 0.00 O ATOM 343 N1 DG B 5 11.738 2.081 13.902 1.00 0.00 N ATOM 344 C2 DG B 5 12.840 2.591 14.698 1.00 0.00 C ATOM 345 N2 DG B 5 12.604 3.361 15.801 1.00 0.00 N ATOM 346 N3 DG B 5 14.057 2.314 14.424 1.00 0.00 N ATOM 347 C4 DG B 5 14.441 1.471 13.327 1.00 0.00 C ATOM 0 H5' DG B 5 19.800 2.257 10.926 1.00 0.00 H new ATOM 0 H5'' DG B 5 21.110 1.666 11.928 1.00 0.00 H new ATOM 0 H4' DG B 5 19.667 2.687 13.468 1.00 0.00 H new ATOM 0 H3' DG B 5 20.040 -0.017 13.913 1.00 0.00 H new ATOM 0 H2' DG B 5 17.836 -0.625 12.865 1.00 0.00 H new ATOM 0 H2'' DG B 5 17.423 -0.512 14.565 1.00 0.00 H new ATOM 0 H1' DG B 5 16.758 1.851 14.352 1.00 0.00 H new ATOM 0 H8 DG B 5 15.987 -0.116 11.085 1.00 0.00 H new ATOM 0 H1 DG B 5 10.786 2.355 14.145 1.00 0.00 H new ATOM 0 H21 DG B 5 13.386 3.714 16.353 1.00 0.00 H new ATOM 0 H22 DG B 5 11.646 3.583 16.073 1.00 0.00 H new ATOM 359 P DT B 6 19.224 0.087 16.682 1.00 0.00 P ATOM 360 OP1 DT B 6 20.208 0.549 17.766 1.00 0.00 O ATOM 361 OP2 DT B 6 19.633 -1.336 16.279 1.00 0.00 O ATOM 362 O5' DT B 6 17.729 0.042 17.324 1.00 0.00 O ATOM 363 C5' DT B 6 17.075 1.228 17.839 1.00 0.00 C ATOM 364 C4' DT B 6 15.580 1.008 18.155 1.00 0.00 C ATOM 365 O4' DT B 6 14.852 0.620 16.977 1.00 0.00 O ATOM 366 C3' DT B 6 15.256 -0.077 19.208 1.00 0.00 C ATOM 367 O3' DT B 6 14.884 0.491 20.462 1.00 0.00 O ATOM 368 C2' DT B 6 14.069 -0.834 18.603 1.00 0.00 C ATOM 369 C1' DT B 6 13.624 0.036 17.422 1.00 0.00 C ATOM 370 N1 DT B 6 12.929 -0.727 16.345 1.00 0.00 N ATOM 371 C2 DT B 6 11.557 -0.619 16.200 1.00 0.00 C ATOM 372 O2 DT B 6 10.867 0.046 16.972 1.00 0.00 O ATOM 373 N3 DT B 6 10.907 -1.263 15.206 1.00 0.00 N ATOM 374 C4 DT B 6 11.507 -2.062 14.289 1.00 0.00 C ATOM 375 O4 DT B 6 10.828 -2.652 13.451 1.00 0.00 O ATOM 376 C5 DT B 6 13.062 -2.214 14.382 1.00 0.00 C ATOM 377 C7 DT B 6 13.809 -3.104 13.404 1.00 0.00 C ATOM 378 C6 DT B 6 13.704 -1.552 15.376 1.00 0.00 C ATOM 0 H5' DT B 6 17.171 2.034 17.111 1.00 0.00 H new ATOM 0 H5'' DT B 6 17.587 1.554 18.744 1.00 0.00 H new ATOM 0 H4' DT B 6 15.285 1.978 18.556 1.00 0.00 H new ATOM 0 H3' DT B 6 16.119 -0.710 19.413 1.00 0.00 H new ATOM 0 H2' DT B 6 14.360 -1.832 18.274 1.00 0.00 H new ATOM 0 H2'' DT B 6 13.266 -0.959 19.329 1.00 0.00 H new ATOM 0 HO3' DT B 6 14.685 -0.226 21.100 1.00 0.00 H new ATOM 0 H1' DT B 6 12.874 0.773 17.710 1.00 0.00 H new ATOM 0 H3 DT B 6 9.897 -1.140 15.141 1.00 0.00 H new ATOM 0 H71 DT B 6 14.814 -2.712 13.250 1.00 0.00 H new ATOM 0 H72 DT B 6 13.872 -4.115 13.807 1.00 0.00 H new ATOM 0 H73 DT B 6 13.278 -3.125 12.452 1.00 0.00 H new ATOM 0 H6 DT B 6 14.778 -1.623 15.465 1.00 0.00 H new TER 392 DT B 6 ATOM 393 O5' DT E 1 20.236 6.120 0.420 1.00 0.00 O ATOM 394 C5' DT E 1 19.324 7.065 -0.144 1.00 0.00 C ATOM 395 C4' DT E 1 19.354 8.379 0.657 1.00 0.00 C ATOM 396 O4' DT E 1 18.588 9.413 -0.012 1.00 0.00 O ATOM 397 C3' DT E 1 18.761 8.255 2.061 1.00 0.00 C ATOM 398 O3' DT E 1 19.747 7.936 3.048 1.00 0.00 O ATOM 399 C2' DT E 1 18.271 9.662 2.317 1.00 0.00 C ATOM 400 C1' DT E 1 17.794 10.159 0.951 1.00 0.00 C ATOM 401 N1 DT E 1 16.319 10.047 0.713 1.00 0.00 N ATOM 402 C2 DT E 1 15.430 10.744 1.526 1.00 0.00 C ATOM 403 O2 DT E 1 15.803 11.504 2.416 1.00 0.00 O ATOM 404 N3 DT E 1 14.094 10.649 1.331 1.00 0.00 N ATOM 405 C4 DT E 1 13.516 9.956 0.332 1.00 0.00 C ATOM 406 O4 DT E 1 12.297 10.024 0.203 1.00 0.00 O ATOM 407 C5 DT E 1 14.447 9.182 -0.650 1.00 0.00 C ATOM 408 C7 DT E 1 13.876 8.389 -1.809 1.00 0.00 C ATOM 409 C6 DT E 1 15.784 9.221 -0.406 1.00 0.00 C ATOM 0 H5' DT E 1 18.315 6.653 -0.142 1.00 0.00 H new ATOM 0 H5'' DT E 1 19.587 7.259 -1.184 1.00 0.00 H new ATOM 0 H4' DT E 1 20.412 8.630 0.729 1.00 0.00 H new ATOM 0 H3' DT E 1 18.010 7.467 2.120 1.00 0.00 H new ATOM 0 H2' DT E 1 17.462 9.673 3.048 1.00 0.00 H new ATOM 0 H2'' DT E 1 19.067 10.293 2.713 1.00 0.00 H new ATOM 0 HO5' DT E 1 20.206 5.288 -0.097 1.00 0.00 H new ATOM 0 H1' DT E 1 17.943 11.235 0.866 1.00 0.00 H new ATOM 0 H3 DT E 1 13.483 11.136 1.986 1.00 0.00 H new ATOM 0 H71 DT E 1 14.592 8.380 -2.631 1.00 0.00 H new ATOM 0 H72 DT E 1 13.679 7.366 -1.488 1.00 0.00 H new ATOM 0 H73 DT E 1 12.946 8.850 -2.142 1.00 0.00 H new ATOM 0 H6 DT E 1 16.461 8.651 -1.025 1.00 0.00 H new ATOM 423 P DG E 2 19.354 7.133 4.403 1.00 0.00 P ATOM 424 OP1 DG E 2 20.065 5.791 4.309 1.00 0.00 O ATOM 425 OP2 DG E 2 17.838 6.986 4.445 1.00 0.00 O ATOM 426 O5' DG E 2 19.864 7.990 5.688 1.00 0.00 O ATOM 427 C5' DG E 2 19.776 9.430 5.796 1.00 0.00 C ATOM 428 C4' DG E 2 18.991 9.976 7.020 1.00 0.00 C ATOM 429 O4' DG E 2 17.889 10.830 6.603 1.00 0.00 O ATOM 430 C3' DG E 2 18.436 8.972 8.040 1.00 0.00 C ATOM 431 O3' DG E 2 19.371 8.810 9.120 1.00 0.00 O ATOM 432 C2' DG E 2 17.182 9.663 8.555 1.00 0.00 C ATOM 433 C1' DG E 2 16.729 10.594 7.433 1.00 0.00 C ATOM 434 N9 DG E 2 15.595 10.027 6.647 1.00 0.00 N ATOM 435 C8 DG E 2 15.602 9.185 5.540 1.00 0.00 C ATOM 436 N7 DG E 2 14.436 8.729 4.973 1.00 0.00 N ATOM 437 C5 DG E 2 13.567 9.289 5.886 1.00 0.00 C ATOM 438 C6 DG E 2 12.019 9.293 5.822 1.00 0.00 C ATOM 439 O6 DG E 2 11.383 8.690 4.968 1.00 0.00 O ATOM 440 N1 DG E 2 11.391 10.069 6.738 1.00 0.00 N ATOM 441 C2 DG E 2 12.112 10.872 7.700 1.00 0.00 C ATOM 442 N2 DG E 2 11.419 11.706 8.521 1.00 0.00 N ATOM 443 N3 DG E 2 13.400 10.887 7.757 1.00 0.00 N ATOM 444 C4 DG E 2 14.223 10.093 6.875 1.00 0.00 C ATOM 0 H5' DG E 2 19.309 9.814 4.889 1.00 0.00 H new ATOM 0 H5'' DG E 2 20.788 9.834 5.829 1.00 0.00 H new ATOM 0 H4' DG E 2 19.779 10.514 7.547 1.00 0.00 H new ATOM 0 H3' DG E 2 18.250 7.984 7.618 1.00 0.00 H new ATOM 0 H2' DG E 2 16.407 8.936 8.797 1.00 0.00 H new ATOM 0 H2'' DG E 2 17.390 10.222 9.467 1.00 0.00 H new ATOM 0 H1' DG E 2 16.346 11.527 7.846 1.00 0.00 H new ATOM 0 H8 DG E 2 16.548 8.882 5.115 1.00 0.00 H new ATOM 0 H1 DG E 2 10.371 10.087 6.749 1.00 0.00 H new ATOM 0 H21 DG E 2 11.916 12.278 9.204 1.00 0.00 H new ATOM 0 H22 DG E 2 10.403 11.759 8.454 1.00 0.00 H new ATOM 456 P DG E 3 19.319 7.542 10.130 1.00 0.00 P ATOM 457 OP1 DG E 3 20.759 7.254 10.567 1.00 0.00 O ATOM 458 OP2 DG E 3 18.680 6.345 9.450 1.00 0.00 O ATOM 459 O5' DG E 3 18.446 7.941 11.420 1.00 0.00 O ATOM 460 C5' DG E 3 18.471 9.209 12.096 1.00 0.00 C ATOM 461 C4' DG E 3 17.117 9.447 12.800 1.00 0.00 C ATOM 462 O4' DG E 3 16.070 9.596 11.802 1.00 0.00 O ATOM 463 C3' DG E 3 16.702 8.294 13.737 1.00 0.00 C ATOM 464 O3' DG E 3 16.078 8.802 14.932 1.00 0.00 O ATOM 465 C2' DG E 3 15.656 7.583 12.895 1.00 0.00 C ATOM 466 C1' DG E 3 14.971 8.751 12.183 1.00 0.00 C ATOM 467 N9 DG E 3 14.152 8.327 11.010 1.00 0.00 N ATOM 468 C8 DG E 3 14.461 7.457 9.969 1.00 0.00 C ATOM 469 N7 DG E 3 13.500 7.005 9.100 1.00 0.00 N ATOM 470 C5 DG E 3 12.428 7.646 9.677 1.00 0.00 C ATOM 471 C6 DG E 3 10.942 7.529 9.266 1.00 0.00 C ATOM 472 O6 DG E 3 10.562 6.833 8.334 1.00 0.00 O ATOM 473 N1 DG E 3 10.069 8.274 9.986 1.00 0.00 N ATOM 474 C2 DG E 3 10.495 9.136 11.070 1.00 0.00 C ATOM 475 N2 DG E 3 9.568 9.908 11.712 1.00 0.00 N ATOM 476 N3 DG E 3 11.724 9.215 11.439 1.00 0.00 N ATOM 477 C4 DG E 3 12.783 8.473 10.790 1.00 0.00 C ATOM 0 H5' DG E 3 18.667 10.009 11.382 1.00 0.00 H new ATOM 0 H5'' DG E 3 19.280 9.228 12.826 1.00 0.00 H new ATOM 0 H4' DG E 3 17.244 10.347 13.402 1.00 0.00 H new ATOM 0 H3' DG E 3 17.538 7.674 14.063 1.00 0.00 H new ATOM 0 H2' DG E 3 16.106 6.884 12.191 1.00 0.00 H new ATOM 0 H2'' DG E 3 14.958 7.013 13.508 1.00 0.00 H new ATOM 0 H1' DG E 3 14.246 9.254 12.823 1.00 0.00 H new ATOM 0 H8 DG E 3 15.482 7.129 9.842 1.00 0.00 H new ATOM 0 H1 DG E 3 9.076 8.226 9.757 1.00 0.00 H new ATOM 0 H21 DG E 3 9.855 10.519 12.477 1.00 0.00 H new ATOM 0 H22 DG E 3 8.589 9.873 11.426 1.00 0.00 H new ATOM 489 P DG E 4 16.305 8.107 16.371 1.00 0.00 P ATOM 490 OP1 DG E 4 17.489 8.808 17.056 1.00 0.00 O ATOM 491 OP2 DG E 4 16.614 6.623 16.215 1.00 0.00 O ATOM 492 O5' DG E 4 14.989 8.272 17.280 1.00 0.00 O ATOM 493 C5' DG E 4 14.277 9.506 17.508 1.00 0.00 C ATOM 494 C4' DG E 4 12.771 9.245 17.764 1.00 0.00 C ATOM 495 O4' DG E 4 12.097 9.076 16.489 1.00 0.00 O ATOM 496 C3' DG E 4 12.470 7.988 18.616 1.00 0.00 C ATOM 497 O3' DG E 4 11.360 8.199 19.518 1.00 0.00 O ATOM 498 C2' DG E 4 12.064 6.997 17.534 1.00 0.00 C ATOM 499 C1' DG E 4 11.304 7.888 16.547 1.00 0.00 C ATOM 500 N9 DG E 4 11.153 7.273 15.198 1.00 0.00 N ATOM 501 C8 DG E 4 12.108 6.723 14.356 1.00 0.00 C ATOM 502 N7 DG E 4 11.759 6.003 13.238 1.00 0.00 N ATOM 503 C5 DG E 4 10.393 6.159 13.358 1.00 0.00 C ATOM 504 C6 DG E 4 9.296 5.593 12.424 1.00 0.00 C ATOM 505 O6 DG E 4 9.542 4.884 11.457 1.00 0.00 O ATOM 506 N1 DG E 4 8.020 5.925 12.740 1.00 0.00 N ATOM 507 C2 DG E 4 7.695 6.745 13.890 1.00 0.00 C ATOM 508 N2 DG E 4 6.393 7.024 14.165 1.00 0.00 N ATOM 509 N3 DG E 4 8.596 7.203 14.684 1.00 0.00 N ATOM 510 C4 DG E 4 10.004 6.944 14.491 1.00 0.00 C ATOM 0 H5' DG E 4 14.394 10.161 16.645 1.00 0.00 H new ATOM 0 H5'' DG E 4 14.709 10.026 18.363 1.00 0.00 H new ATOM 0 H4' DG E 4 12.415 10.109 18.325 1.00 0.00 H new ATOM 0 H3' DG E 4 13.304 7.683 19.248 1.00 0.00 H new ATOM 0 H2' DG E 4 12.929 6.523 17.071 1.00 0.00 H new ATOM 0 H2'' DG E 4 11.436 6.198 17.928 1.00 0.00 H new ATOM 0 H1' DG E 4 10.279 8.064 16.872 1.00 0.00 H new ATOM 0 H8 DG E 4 13.154 6.864 14.585 1.00 0.00 H new ATOM 0 H1 DG E 4 7.262 5.586 12.148 1.00 0.00 H new ATOM 0 H21 DG E 4 6.154 7.600 14.972 1.00 0.00 H new ATOM 0 H22 DG E 4 5.655 6.657 13.564 1.00 0.00 H new ATOM 522 P DG E 5 11.153 7.327 20.869 1.00 0.00 P ATOM 523 OP1 DG E 5 11.558 8.176 22.083 1.00 0.00 O ATOM 524 OP2 DG E 5 12.014 6.063 20.854 1.00 0.00 O ATOM 525 O5' DG E 5 9.607 6.890 21.021 1.00 0.00 O ATOM 526 C5' DG E 5 8.472 7.773 20.870 1.00 0.00 C ATOM 527 C4' DG E 5 7.239 6.995 20.348 1.00 0.00 C ATOM 528 O4' DG E 5 7.426 6.706 18.935 1.00 0.00 O ATOM 529 C3' DG E 5 6.972 5.648 21.075 1.00 0.00 C ATOM 530 O3' DG E 5 5.561 5.426 21.345 1.00 0.00 O ATOM 531 C2' DG E 5 7.457 4.654 20.024 1.00 0.00 C ATOM 532 C1' DG E 5 7.051 5.342 18.723 1.00 0.00 C ATOM 533 N9 DG E 5 7.689 4.747 17.512 1.00 0.00 N ATOM 534 C8 DG E 5 9.021 4.504 17.203 1.00 0.00 C ATOM 535 N7 DG E 5 9.385 3.756 16.105 1.00 0.00 N ATOM 536 C5 DG E 5 8.108 3.535 15.620 1.00 0.00 C ATOM 537 C6 DG E 5 7.694 2.727 14.360 1.00 0.00 C ATOM 538 O6 DG E 5 8.493 2.127 13.652 1.00 0.00 O ATOM 539 N1 DG E 5 6.364 2.696 14.088 1.00 0.00 N ATOM 540 C2 DG E 5 5.389 3.357 14.927 1.00 0.00 C ATOM 541 N2 DG E 5 4.066 3.298 14.608 1.00 0.00 N ATOM 542 N3 DG E 5 5.716 3.988 15.996 1.00 0.00 N ATOM 543 C4 DG E 5 7.085 4.137 16.421 1.00 0.00 C ATOM 0 H5' DG E 5 8.720 8.578 20.178 1.00 0.00 H new ATOM 0 H5'' DG E 5 8.236 8.238 21.827 1.00 0.00 H new ATOM 0 H4' DG E 5 6.380 7.638 20.538 1.00 0.00 H new ATOM 0 H3' DG E 5 7.455 5.585 22.050 1.00 0.00 H new ATOM 0 H2' DG E 5 8.533 4.493 20.081 1.00 0.00 H new ATOM 0 H2'' DG E 5 6.982 3.679 20.135 1.00 0.00 H new ATOM 0 H1' DG E 5 5.988 5.226 18.513 1.00 0.00 H new ATOM 0 H8 DG E 5 9.792 4.912 17.840 1.00 0.00 H new ATOM 0 H1 DG E 5 6.042 2.189 13.264 1.00 0.00 H new ATOM 0 H21 DG E 5 3.378 3.764 15.199 1.00 0.00 H new ATOM 0 H22 DG E 5 3.764 2.788 13.778 1.00 0.00 H new ATOM 555 P DT E 6 5.015 4.463 22.537 1.00 0.00 P ATOM 556 OP1 DT E 6 4.255 5.306 23.572 1.00 0.00 O ATOM 557 OP2 DT E 6 6.153 3.738 23.258 1.00 0.00 O ATOM 558 O5' DT E 6 3.991 3.347 21.959 1.00 0.00 O ATOM 559 C5' DT E 6 2.732 3.670 21.332 1.00 0.00 C ATOM 560 C4' DT E 6 2.349 2.619 20.273 1.00 0.00 C ATOM 561 O4' DT E 6 3.337 2.610 19.238 1.00 0.00 O ATOM 562 C3' DT E 6 2.281 1.163 20.758 1.00 0.00 C ATOM 563 O3' DT E 6 0.987 0.816 21.241 1.00 0.00 O ATOM 564 C2' DT E 6 2.645 0.352 19.515 1.00 0.00 C ATOM 565 C1' DT E 6 3.242 1.370 18.525 1.00 0.00 C ATOM 566 N1 DT E 6 4.560 0.953 17.973 1.00 0.00 N ATOM 567 C2 DT E 6 4.613 0.325 16.743 1.00 0.00 C ATOM 568 O2 DT E 6 3.601 0.079 16.092 1.00 0.00 O ATOM 569 N3 DT E 6 5.791 -0.064 16.212 1.00 0.00 N ATOM 570 C4 DT E 6 6.993 0.107 16.806 1.00 0.00 C ATOM 571 O4 DT E 6 7.997 -0.336 16.254 1.00 0.00 O ATOM 572 C5 DT E 6 7.017 0.833 18.191 1.00 0.00 C ATOM 573 C7 DT E 6 8.337 1.088 18.897 1.00 0.00 C ATOM 574 C6 DT E 6 5.825 1.223 18.715 1.00 0.00 C ATOM 0 H5' DT E 6 2.797 4.653 20.865 1.00 0.00 H new ATOM 0 H5'' DT E 6 1.950 3.728 22.089 1.00 0.00 H new ATOM 0 H4' DT E 6 1.350 2.922 19.960 1.00 0.00 H new ATOM 0 H3' DT E 6 2.948 0.978 21.600 1.00 0.00 H new ATOM 0 H2' DT E 6 3.363 -0.432 19.754 1.00 0.00 H new ATOM 0 H2'' DT E 6 1.767 -0.138 19.094 1.00 0.00 H new ATOM 0 HO3' DT E 6 0.988 -0.118 21.537 1.00 0.00 H new ATOM 0 H1' DT E 6 2.599 1.457 17.649 1.00 0.00 H new ATOM 0 H3 DT E 6 5.773 -0.519 15.299 1.00 0.00 H new ATOM 0 H71 DT E 6 9.048 0.305 18.633 1.00 0.00 H new ATOM 0 H72 DT E 6 8.733 2.056 18.590 1.00 0.00 H new ATOM 0 H73 DT E 6 8.179 1.087 19.975 1.00 0.00 H new ATOM 0 H6 DT E 6 5.794 1.729 19.669 1.00 0.00 H new TER 588 DT E 6 ATOM 589 O5' DT F 1 -0.649 15.218 5.173 1.00 0.00 O ATOM 590 C5' DT F 1 -0.203 13.863 5.233 1.00 0.00 C ATOM 591 C4' DT F 1 -0.068 13.248 3.829 1.00 0.00 C ATOM 592 O4' DT F 1 0.978 13.891 3.057 1.00 0.00 O ATOM 593 C3' DT F 1 0.296 11.761 3.863 1.00 0.00 C ATOM 594 O3' DT F 1 -0.862 10.918 3.928 1.00 0.00 O ATOM 595 C2' DT F 1 0.957 11.589 2.513 1.00 0.00 C ATOM 596 C1' DT F 1 1.728 12.897 2.305 1.00 0.00 C ATOM 597 N1 DT F 1 3.178 12.840 2.681 1.00 0.00 N ATOM 598 C2 DT F 1 4.035 11.988 1.993 1.00 0.00 C ATOM 599 O2 DT F 1 3.662 11.302 1.044 1.00 0.00 O ATOM 600 N3 DT F 1 5.347 11.911 2.320 1.00 0.00 N ATOM 601 C4 DT F 1 5.938 12.663 3.267 1.00 0.00 C ATOM 602 O4 DT F 1 7.141 12.523 3.458 1.00 0.00 O ATOM 603 C5 DT F 1 5.061 13.695 4.039 1.00 0.00 C ATOM 604 C7 DT F 1 5.667 14.653 5.047 1.00 0.00 C ATOM 605 C6 DT F 1 3.731 13.718 3.753 1.00 0.00 C ATOM 0 H5' DT F 1 -0.905 13.274 5.823 1.00 0.00 H new ATOM 0 H5'' DT F 1 0.759 13.818 5.744 1.00 0.00 H new ATOM 0 H4' DT F 1 -1.049 13.392 3.376 1.00 0.00 H new ATOM 0 H3' DT F 1 0.902 11.493 4.728 1.00 0.00 H new ATOM 0 H2' DT F 1 1.624 10.727 2.503 1.00 0.00 H new ATOM 0 H2'' DT F 1 0.220 11.431 1.726 1.00 0.00 H new ATOM 0 HO5' DT F 1 -0.726 15.578 6.081 1.00 0.00 H new ATOM 0 H1' DT F 1 1.788 13.141 1.244 1.00 0.00 H new ATOM 0 H3 DT F 1 5.925 11.239 1.816 1.00 0.00 H new ATOM 0 H71 DT F 1 6.541 14.192 5.508 1.00 0.00 H new ATOM 0 H72 DT F 1 5.965 15.572 4.542 1.00 0.00 H new ATOM 0 H73 DT F 1 4.931 14.885 5.817 1.00 0.00 H new ATOM 0 H6 DT F 1 3.073 14.374 4.304 1.00 0.00 H new ATOM 619 P DG F 2 -0.815 9.463 4.646 1.00 0.00 P ATOM 620 OP1 DG F 2 -1.746 9.528 5.852 1.00 0.00 O ATOM 621 OP2 DG F 2 0.621 9.148 5.045 1.00 0.00 O ATOM 622 O5' DG F 2 -1.343 8.341 3.602 1.00 0.00 O ATOM 623 C5' DG F 2 -1.174 8.406 2.171 1.00 0.00 C ATOM 624 C4' DG F 2 -0.386 7.230 1.538 1.00 0.00 C ATOM 625 O4' DG F 2 0.869 7.668 0.964 1.00 0.00 O ATOM 626 C3' DG F 2 -0.103 5.995 2.406 1.00 0.00 C ATOM 627 O3' DG F 2 -1.214 5.086 2.255 1.00 0.00 O ATOM 628 C2' DG F 2 1.187 5.450 1.792 1.00 0.00 C ATOM 629 C1' DG F 2 1.869 6.638 1.116 1.00 0.00 C ATOM 630 N9 DG F 2 3.041 7.145 1.881 1.00 0.00 N ATOM 631 C8 DG F 2 3.097 8.092 2.897 1.00 0.00 C ATOM 632 N7 DG F 2 4.290 8.469 3.462 1.00 0.00 N ATOM 633 C5 DG F 2 5.101 7.602 2.762 1.00 0.00 C ATOM 634 C6 DG F 2 6.645 7.503 2.824 1.00 0.00 C ATOM 635 O6 DG F 2 7.339 8.209 3.541 1.00 0.00 O ATOM 636 N1 DG F 2 7.216 6.613 1.980 1.00 0.00 N ATOM 637 C2 DG F 2 6.445 5.826 1.049 1.00 0.00 C ATOM 638 N2 DG F 2 7.096 4.985 0.201 1.00 0.00 N ATOM 639 N3 DG F 2 5.162 5.932 0.950 1.00 0.00 N ATOM 640 C4 DG F 2 4.391 6.802 1.810 1.00 0.00 C ATOM 0 H5' DG F 2 -0.663 9.337 1.925 1.00 0.00 H new ATOM 0 H5'' DG F 2 -2.160 8.451 1.708 1.00 0.00 H new ATOM 0 H4' DG F 2 -1.097 6.894 0.783 1.00 0.00 H new ATOM 0 H3' DG F 2 0.007 6.177 3.475 1.00 0.00 H new ATOM 0 H2' DG F 2 1.830 5.015 2.558 1.00 0.00 H new ATOM 0 H2'' DG F 2 0.973 4.661 1.071 1.00 0.00 H new ATOM 0 H1' DG F 2 2.268 6.325 0.151 1.00 0.00 H new ATOM 0 H8 DG F 2 2.181 8.542 3.250 1.00 0.00 H new ATOM 0 H1 DG F 2 8.229 6.494 2.003 1.00 0.00 H new ATOM 0 H21 DG F 2 6.567 4.421 -0.464 1.00 0.00 H new ATOM 0 H22 DG F 2 8.113 4.918 0.230 1.00 0.00 H new ATOM 652 P DG F 3 -1.203 3.548 2.735 1.00 0.00 P ATOM 653 OP1 DG F 3 -2.655 3.070 2.829 1.00 0.00 O ATOM 654 OP2 DG F 3 -0.460 3.395 4.050 1.00 0.00 O ATOM 655 O5' DG F 3 -0.493 2.697 1.545 1.00 0.00 O ATOM 656 C5' DG F 3 -0.301 1.265 1.606 1.00 0.00 C ATOM 657 C4' DG F 3 1.053 0.820 2.212 1.00 0.00 C ATOM 658 O4' DG F 3 2.077 1.838 2.212 1.00 0.00 O ATOM 659 C3' DG F 3 0.954 0.346 3.664 1.00 0.00 C ATOM 660 O3' DG F 3 0.437 -1.011 3.742 1.00 0.00 O ATOM 661 C2' DG F 3 2.368 0.570 4.204 1.00 0.00 C ATOM 662 C1' DG F 3 3.103 1.366 3.109 1.00 0.00 C ATOM 663 N9 DG F 3 3.919 2.492 3.656 1.00 0.00 N ATOM 664 C8 DG F 3 3.559 3.492 4.554 1.00 0.00 C ATOM 665 N7 DG F 3 4.503 4.275 5.176 1.00 0.00 N ATOM 666 C5 DG F 3 5.615 3.705 4.589 1.00 0.00 C ATOM 667 C6 DG F 3 7.101 4.060 4.849 1.00 0.00 C ATOM 668 O6 DG F 3 7.455 4.915 5.650 1.00 0.00 O ATOM 669 N1 DG F 3 8.012 3.374 4.115 1.00 0.00 N ATOM 670 C2 DG F 3 7.628 2.373 3.142 1.00 0.00 C ATOM 671 N2 DG F 3 8.594 1.749 2.402 1.00 0.00 N ATOM 672 N3 DG F 3 6.400 2.053 2.938 1.00 0.00 N ATOM 673 C4 DG F 3 5.302 2.671 3.648 1.00 0.00 C ATOM 0 H5' DG F 3 -0.384 0.857 0.598 1.00 0.00 H new ATOM 0 H5'' DG F 3 -1.108 0.828 2.194 1.00 0.00 H new ATOM 0 H4' DG F 3 1.328 0.003 1.545 1.00 0.00 H new ATOM 0 H3' DG F 3 0.235 0.887 4.279 1.00 0.00 H new ATOM 0 H2' DG F 3 2.347 1.122 5.144 1.00 0.00 H new ATOM 0 H2'' DG F 3 2.867 -0.378 4.403 1.00 0.00 H new ATOM 0 H1' DG F 3 3.826 0.731 2.597 1.00 0.00 H new ATOM 0 H8 DG F 3 2.513 3.657 4.768 1.00 0.00 H new ATOM 0 H1 DG F 3 9.003 3.570 4.253 1.00 0.00 H new ATOM 0 H21 DG F 3 8.333 1.043 1.714 1.00 0.00 H new ATOM 0 H22 DG F 3 9.576 1.990 2.538 1.00 0.00 H new ATOM 685 P DG F 4 1.280 -2.385 3.586 1.00 0.00 P ATOM 686 OP1 DG F 4 0.315 -3.502 3.161 1.00 0.00 O ATOM 687 OP2 DG F 4 1.942 -2.724 4.916 1.00 0.00 O ATOM 688 O5' DG F 4 2.395 -2.200 2.418 1.00 0.00 O ATOM 689 C5' DG F 4 3.231 -3.260 1.901 1.00 0.00 C ATOM 690 C4' DG F 4 4.626 -3.356 2.563 1.00 0.00 C ATOM 691 O4' DG F 4 5.167 -2.076 2.967 1.00 0.00 O ATOM 692 C3' DG F 4 4.679 -4.273 3.795 1.00 0.00 C ATOM 693 O3' DG F 4 5.010 -5.627 3.412 1.00 0.00 O ATOM 694 C2' DG F 4 5.761 -3.623 4.652 1.00 0.00 C ATOM 695 C1' DG F 4 6.207 -2.349 3.921 1.00 0.00 C ATOM 696 N9 DG F 4 6.412 -1.210 4.866 1.00 0.00 N ATOM 697 C8 DG F 4 5.489 -0.563 5.676 1.00 0.00 C ATOM 698 N7 DG F 4 5.867 0.375 6.605 1.00 0.00 N ATOM 699 C5 DG F 4 7.222 0.307 6.369 1.00 0.00 C ATOM 700 C6 DG F 4 8.339 1.061 7.128 1.00 0.00 C ATOM 701 O6 DG F 4 8.116 1.856 8.031 1.00 0.00 O ATOM 702 N1 DG F 4 9.607 0.781 6.741 1.00 0.00 N ATOM 703 C2 DG F 4 9.905 -0.164 5.686 1.00 0.00 C ATOM 704 N2 DG F 4 11.203 -0.392 5.335 1.00 0.00 N ATOM 705 N3 DG F 4 8.987 -0.808 5.058 1.00 0.00 N ATOM 706 C4 DG F 4 7.582 -0.629 5.344 1.00 0.00 C ATOM 0 H5' DG F 4 3.361 -3.113 0.829 1.00 0.00 H new ATOM 0 H5'' DG F 4 2.714 -4.211 2.032 1.00 0.00 H new ATOM 0 H4' DG F 4 5.230 -3.784 1.763 1.00 0.00 H new ATOM 0 H3' DG F 4 3.731 -4.363 4.325 1.00 0.00 H new ATOM 0 H2' DG F 4 5.376 -3.384 5.643 1.00 0.00 H new ATOM 0 H2'' DG F 4 6.602 -4.302 4.792 1.00 0.00 H new ATOM 0 H1' DG F 4 7.172 -2.484 3.431 1.00 0.00 H new ATOM 0 H8 DG F 4 4.441 -0.805 5.572 1.00 0.00 H new ATOM 0 H1 DG F 4 10.380 1.253 7.210 1.00 0.00 H new ATOM 0 H21 DG F 4 11.421 -1.056 4.593 1.00 0.00 H new ATOM 0 H22 DG F 4 11.955 0.102 5.815 1.00 0.00 H new ATOM 718 P DG F 5 4.987 -6.899 4.426 1.00 0.00 P ATOM 719 OP1 DG F 5 4.397 -8.116 3.696 1.00 0.00 O ATOM 720 OP2 DG F 5 4.164 -6.629 5.682 1.00 0.00 O ATOM 721 O5' DG F 5 6.492 -7.258 4.878 1.00 0.00 O ATOM 722 C5' DG F 5 7.627 -7.291 3.984 1.00 0.00 C ATOM 723 C4' DG F 5 8.926 -6.952 4.749 1.00 0.00 C ATOM 724 O4' DG F 5 8.857 -5.567 5.201 1.00 0.00 O ATOM 725 C3' DG F 5 9.162 -7.844 5.995 1.00 0.00 C ATOM 726 O3' DG F 5 10.561 -8.141 6.228 1.00 0.00 O ATOM 727 C2' DG F 5 8.714 -6.906 7.110 1.00 0.00 C ATOM 728 C1' DG F 5 9.181 -5.550 6.594 1.00 0.00 C ATOM 729 N9 DG F 5 8.608 -4.392 7.340 1.00 0.00 N ATOM 730 C8 DG F 5 7.293 -4.050 7.642 1.00 0.00 C ATOM 731 N7 DG F 5 6.997 -3.014 8.499 1.00 0.00 N ATOM 732 C5 DG F 5 8.297 -2.647 8.785 1.00 0.00 C ATOM 733 C6 DG F 5 8.779 -1.607 9.832 1.00 0.00 C ATOM 734 O6 DG F 5 8.019 -0.945 10.528 1.00 0.00 O ATOM 735 N1 DG F 5 10.122 -1.486 9.976 1.00 0.00 N ATOM 736 C2 DG F 5 11.053 -2.293 9.221 1.00 0.00 C ATOM 737 N2 DG F 5 12.397 -2.132 9.401 1.00 0.00 N ATOM 738 N3 DG F 5 10.670 -3.189 8.384 1.00 0.00 N ATOM 739 C4 DG F 5 9.274 -3.439 8.100 1.00 0.00 C ATOM 0 H5' DG F 5 7.479 -6.579 3.172 1.00 0.00 H new ATOM 0 H5'' DG F 5 7.712 -8.278 3.530 1.00 0.00 H new ATOM 0 H4' DG F 5 9.750 -7.125 4.057 1.00 0.00 H new ATOM 0 H3' DG F 5 8.655 -8.805 5.909 1.00 0.00 H new ATOM 0 H2' DG F 5 7.635 -6.936 7.258 1.00 0.00 H new ATOM 0 H2'' DG F 5 9.174 -7.159 8.065 1.00 0.00 H new ATOM 0 H1' DG F 5 10.250 -5.404 6.752 1.00 0.00 H new ATOM 0 H8 DG F 5 6.486 -4.610 7.194 1.00 0.00 H new ATOM 0 H1 DG F 5 10.487 -0.803 10.639 1.00 0.00 H new ATOM 0 H21 DG F 5 13.055 -2.701 8.868 1.00 0.00 H new ATOM 0 H22 DG F 5 12.743 -1.442 10.068 1.00 0.00 H new ATOM 751 P DT F 6 11.338 -9.478 5.757 1.00 0.00 P ATOM 752 OP1 DT F 6 11.922 -9.323 4.353 1.00 0.00 O ATOM 753 OP2 DT F 6 10.399 -10.693 5.748 1.00 0.00 O ATOM 754 O5' DT F 6 12.554 -9.800 6.796 1.00 0.00 O ATOM 755 C5' DT F 6 12.355 -10.534 8.026 1.00 0.00 C ATOM 756 C4' DT F 6 12.644 -9.676 9.271 1.00 0.00 C ATOM 757 O4' DT F 6 11.725 -8.579 9.370 1.00 0.00 O ATOM 758 C3' DT F 6 12.485 -10.429 10.610 1.00 0.00 C ATOM 759 O3' DT F 6 13.745 -10.834 11.134 1.00 0.00 O ATOM 760 C2' DT F 6 11.827 -9.412 11.551 1.00 0.00 C ATOM 761 C1' DT F 6 11.748 -8.121 10.726 1.00 0.00 C ATOM 762 N1 DT F 6 10.572 -7.253 11.013 1.00 0.00 N ATOM 763 C2 DT F 6 10.762 -5.957 11.470 1.00 0.00 C ATOM 764 O2 DT F 6 11.871 -5.519 11.759 1.00 0.00 O ATOM 765 N3 DT F 6 9.711 -5.118 11.632 1.00 0.00 N ATOM 766 C4 DT F 6 8.426 -5.444 11.372 1.00 0.00 C ATOM 767 O4 DT F 6 7.549 -4.620 11.615 1.00 0.00 O ATOM 768 C5 DT F 6 8.137 -6.879 10.823 1.00 0.00 C ATOM 769 C7 DT F 6 6.736 -7.297 10.416 1.00 0.00 C ATOM 770 C6 DT F 6 9.200 -7.713 10.665 1.00 0.00 C ATOM 0 H5' DT F 6 13.003 -11.410 8.033 1.00 0.00 H new ATOM 0 H5'' DT F 6 11.328 -10.897 8.068 1.00 0.00 H new ATOM 0 H4' DT F 6 13.679 -9.365 9.130 1.00 0.00 H new ATOM 0 H3' DT F 6 11.897 -11.339 10.490 1.00 0.00 H new ATOM 0 H2' DT F 6 10.837 -9.744 11.865 1.00 0.00 H new ATOM 0 H2'' DT F 6 12.417 -9.269 12.456 1.00 0.00 H new ATOM 0 HO3' DT F 6 13.610 -11.306 11.982 1.00 0.00 H new ATOM 0 H1' DT F 6 12.591 -7.474 10.968 1.00 0.00 H new ATOM 0 H3 DT F 6 9.903 -4.176 11.973 1.00 0.00 H new ATOM 0 H71 DT F 6 6.006 -6.756 11.017 1.00 0.00 H new ATOM 0 H72 DT F 6 6.580 -7.068 9.362 1.00 0.00 H new ATOM 0 H73 DT F 6 6.615 -8.368 10.576 1.00 0.00 H new ATOM 0 H6 DT F 6 9.048 -8.713 10.286 1.00 0.00 H new TER 784 DT F 6 HETATM 785 C1 DMY A 7 15.370 14.328 6.850 1.00 0.00 C HETATM 786 O1 DMY A 7 15.724 15.478 6.572 1.00 0.00 O HETATM 787 N1 DMY A 7 14.642 13.954 8.013 1.00 0.00 N HETATM 788 C2 DMY A 7 14.157 14.791 9.036 1.00 0.00 C HETATM 789 C3 DMY A 7 13.311 14.370 10.034 1.00 0.00 C HETATM 790 C4 DMY A 7 13.261 15.383 10.995 1.00 0.00 C HETATM 791 N2 DMY A 7 14.045 16.485 10.583 1.00 0.00 N HETATM 792 C5 DMY A 7 14.568 16.080 9.353 1.00 0.00 C HETATM 793 C6 DMY A 7 14.190 17.803 11.248 1.00 0.00 C HETATM 794 C7 DMY A 7 12.553 15.311 12.371 1.00 0.00 C HETATM 795 O2 DMY A 7 13.047 15.977 13.295 1.00 0.00 O HETATM 796 N3 DMY A 7 11.354 14.522 12.512 1.00 0.00 N HETATM 797 C8 DMY A 7 10.451 14.570 13.604 1.00 0.00 C HETATM 798 C9 DMY A 7 9.388 13.710 13.833 1.00 0.00 C HETATM 799 C10 DMY A 7 8.638 14.249 14.907 1.00 0.00 C HETATM 800 N4 DMY A 7 9.203 15.485 15.310 1.00 0.00 N HETATM 801 C11 DMY A 7 10.321 15.622 14.497 1.00 0.00 C HETATM 802 C12 DMY A 7 8.626 16.542 16.177 1.00 0.00 C HETATM 803 C13 DMY A 7 7.358 13.655 15.561 1.00 0.00 C HETATM 804 O3 DMY A 7 6.861 14.257 16.525 1.00 0.00 O HETATM 805 N5 DMY A 7 6.822 12.421 15.051 1.00 0.00 N HETATM 806 C14 DMY A 7 5.614 11.798 15.456 1.00 0.00 C HETATM 807 C15 DMY A 7 5.205 10.539 15.083 1.00 0.00 C HETATM 808 C16 DMY A 7 3.902 10.342 15.583 1.00 0.00 C HETATM 809 N6 DMY A 7 3.475 11.508 16.287 1.00 0.00 N HETATM 810 C17 DMY A 7 4.568 12.371 16.172 1.00 0.00 C HETATM 811 C18 DMY A 7 2.182 11.835 16.937 1.00 0.00 C HETATM 812 C19 DMY A 7 3.084 9.047 15.315 1.00 0.00 C HETATM 813 O4 DMY A 7 3.581 8.100 14.706 1.00 0.00 O HETATM 814 N7 DMY A 7 1.824 8.974 15.764 1.00 0.00 N HETATM 815 C20 DMY A 7 0.918 7.873 15.386 1.00 0.00 C HETATM 816 C21 DMY A 7 -0.259 7.774 16.375 1.00 0.00 C HETATM 817 C22 DMY A 7 -1.365 6.823 15.912 1.00 0.00 C HETATM 818 N8 DMY A 7 -1.279 5.522 16.127 1.00 0.00 N HETATM 819 N9 DMY A 7 -2.461 7.305 15.362 1.00 0.00 N HETATM 0 HN92 DMY A 7 -3.198 6.671 15.053 1.00 0.00 H new HETATM 0 HN91 DMY A 7 -2.572 8.312 15.245 1.00 0.00 H new HETATM 0 H212 DMY A 7 0.116 7.439 17.342 1.00 0.00 H new HETATM 0 H211 DMY A 7 -0.683 8.767 16.524 1.00 0.00 H new HETATM 0 H202 DMY A 7 0.539 8.037 14.377 1.00 0.00 H new HETATM 0 H201 DMY A 7 1.467 6.932 15.371 1.00 0.00 H new HETATM 0 H183 DMY A 7 1.385 11.810 16.194 1.00 0.00 H new HETATM 0 H182 DMY A 7 1.973 11.105 17.719 1.00 0.00 H new HETATM 0 H181 DMY A 7 2.237 12.831 17.376 1.00 0.00 H new HETATM 0 H123 DMY A 7 7.705 16.916 15.731 1.00 0.00 H new HETATM 0 H122 DMY A 7 8.410 16.127 17.162 1.00 0.00 H new HETATM 0 H121 DMY A 7 9.339 17.360 16.277 1.00 0.00 H new HETATM 0 HN8 DMY A 7 -1.377 5.024 15.242 1.00 0.00 H new HETATM 0 HN7 DMY A 7 1.480 9.704 16.388 1.00 0.00 H new HETATM 0 HN5 DMY A 7 7.364 11.948 14.328 1.00 0.00 H new HETATM 0 HN3 DMY A 7 11.136 13.871 11.758 1.00 0.00 H new HETATM 0 HN1 DMY A 7 14.448 12.958 8.119 1.00 0.00 H new HETATM 0 H9 DMY A 7 9.170 12.791 13.289 1.00 0.00 H new HETATM 0 H63 DMY A 7 13.216 18.288 11.311 1.00 0.00 H new HETATM 0 H62 DMY A 7 14.590 17.662 12.252 1.00 0.00 H new HETATM 0 H61 DMY A 7 14.870 18.429 10.671 1.00 0.00 H new HETATM 0 H5 DMY A 7 15.213 16.694 8.725 1.00 0.00 H new HETATM 0 H3 DMY A 7 12.777 13.420 10.069 1.00 0.00 H new HETATM 0 H17 DMY A 7 4.598 13.376 16.594 1.00 0.00 H new HETATM 0 H15 DMY A 7 5.785 9.821 14.504 1.00 0.00 H new HETATM 0 H11 DMY A 7 11.016 16.460 14.555 1.00 0.00 H new HETATM 0 H1 DMY A 7 15.637 13.537 6.149 1.00 0.00 H new HETATM 848 C1 DMY E 7 2.077 4.824 17.358 1.00 0.00 C HETATM 849 O1 DMY E 7 1.049 4.960 18.030 1.00 0.00 O HETATM 850 N1 DMY E 7 3.198 5.699 17.382 1.00 0.00 N HETATM 851 C2 DMY E 7 3.376 6.853 18.163 1.00 0.00 C HETATM 852 C3 DMY E 7 4.449 7.696 18.043 1.00 0.00 C HETATM 853 C4 DMY E 7 4.231 8.780 18.906 1.00 0.00 C HETATM 854 N2 DMY E 7 3.001 8.614 19.592 1.00 0.00 N HETATM 855 C5 DMY E 7 2.521 7.394 19.112 1.00 0.00 C HETATM 856 C6 DMY E 7 2.346 9.498 20.588 1.00 0.00 C HETATM 857 C7 DMY E 7 5.176 9.989 19.100 1.00 0.00 C HETATM 858 O2 DMY E 7 4.795 10.923 19.818 1.00 0.00 O HETATM 859 N3 DMY E 7 6.462 9.967 18.451 1.00 0.00 N HETATM 860 C8 DMY E 7 7.473 10.949 18.540 1.00 0.00 C HETATM 861 C9 DMY E 7 8.595 11.014 17.743 1.00 0.00 C HETATM 862 C10 DMY E 7 9.334 12.145 18.158 1.00 0.00 C HETATM 863 N4 DMY E 7 8.688 12.768 19.253 1.00 0.00 N HETATM 864 C11 DMY E 7 7.544 12.000 19.442 1.00 0.00 C HETATM 865 C12 DMY E 7 9.102 13.942 20.058 1.00 0.00 C HETATM 866 C13 DMY E 7 10.640 12.682 17.523 1.00 0.00 C HETATM 867 O3 DMY E 7 11.178 13.683 18.021 1.00 0.00 O HETATM 868 N5 DMY E 7 11.174 12.001 16.381 1.00 0.00 N HETATM 869 C14 DMY E 7 12.367 12.317 15.697 1.00 0.00 C HETATM 870 C15 DMY E 7 12.683 11.906 14.428 1.00 0.00 C HETATM 871 C16 DMY E 7 13.929 12.464 14.103 1.00 0.00 C HETATM 872 N6 DMY E 7 14.444 13.189 15.219 1.00 0.00 N HETATM 873 C17 DMY E 7 13.433 13.065 16.170 1.00 0.00 C HETATM 874 C18 DMY E 7 15.716 13.928 15.401 1.00 0.00 C HETATM 875 C19 DMY E 7 14.541 12.352 12.685 1.00 0.00 C HETATM 876 O4 DMY E 7 13.951 11.777 11.774 1.00 0.00 O HETATM 877 N7 DMY E 7 15.720 12.945 12.457 1.00 0.00 N HETATM 878 C20 DMY E 7 16.446 12.779 11.189 1.00 0.00 C HETATM 879 C21 DMY E 7 17.472 13.907 11.005 1.00 0.00 C HETATM 880 C22 DMY E 7 18.328 13.724 9.752 1.00 0.00 C HETATM 881 N8 DMY E 7 18.179 14.533 8.719 1.00 0.00 N HETATM 882 N9 DMY E 7 19.279 12.806 9.708 1.00 0.00 N HETATM 0 HN92 DMY E 7 19.842 12.695 8.865 1.00 0.00 H new HETATM 0 HN91 DMY E 7 19.449 12.209 10.517 1.00 0.00 H new HETATM 0 H212 DMY E 7 16.950 14.862 10.948 1.00 0.00 H new HETATM 0 H211 DMY E 7 18.120 13.950 11.880 1.00 0.00 H new HETATM 0 H202 DMY E 7 16.952 11.814 11.177 1.00 0.00 H new HETATM 0 H201 DMY E 7 15.742 12.781 10.357 1.00 0.00 H new HETATM 0 H183 DMY E 7 16.555 13.245 15.270 1.00 0.00 H new HETATM 0 H182 DMY E 7 15.781 14.728 14.664 1.00 0.00 H new HETATM 0 H181 DMY E 7 15.749 14.355 16.403 1.00 0.00 H new HETATM 0 H123 DMY E 7 10.062 13.738 20.532 1.00 0.00 H new HETATM 0 H122 DMY E 7 9.196 14.813 19.409 1.00 0.00 H new HETATM 0 H121 DMY E 7 8.353 14.140 20.825 1.00 0.00 H new HETATM 0 HN8 DMY E 7 18.828 14.264 7.979 1.00 0.00 H new HETATM 0 HN7 DMY E 7 16.127 13.530 13.186 1.00 0.00 H new HETATM 0 HN5 DMY E 7 10.638 11.209 16.027 1.00 0.00 H new HETATM 0 HN3 DMY E 7 6.664 9.157 17.865 1.00 0.00 H new HETATM 0 HN1 DMY E 7 3.967 5.459 16.756 1.00 0.00 H new HETATM 0 H9 DMY E 7 8.862 10.323 16.943 1.00 0.00 H new HETATM 0 H63 DMY E 7 3.000 9.620 21.452 1.00 0.00 H new HETATM 0 H62 DMY E 7 2.153 10.472 20.138 1.00 0.00 H new HETATM 0 H61 DMY E 7 1.404 9.052 20.907 1.00 0.00 H new HETATM 0 H5 DMY E 7 1.593 6.926 19.441 1.00 0.00 H new HETATM 0 H3 DMY E 7 5.314 7.551 17.396 1.00 0.00 H new HETATM 0 H17 DMY E 7 13.476 13.504 17.167 1.00 0.00 H new HETATM 0 H15 DMY E 7 12.078 11.264 13.789 1.00 0.00 H new HETATM 0 H11 DMY E 7 6.794 12.200 20.207 1.00 0.00 H new HETATM 0 H1 DMY E 7 2.129 3.963 16.692 1.00 0.00 H new HETATM 911 C1 DMY B 7 3.508 7.239 -2.442 1.00 0.00 C HETATM 912 O1 DMY B 7 3.423 7.664 -3.597 1.00 0.00 O HETATM 913 N1 DMY B 7 3.991 5.952 -2.075 1.00 0.00 N HETATM 914 C2 DMY B 7 4.529 4.959 -2.913 1.00 0.00 C HETATM 915 C3 DMY B 7 5.197 3.847 -2.456 1.00 0.00 C HETATM 916 C4 DMY B 7 5.523 3.071 -3.568 1.00 0.00 C HETATM 917 N2 DMY B 7 5.089 3.709 -4.756 1.00 0.00 N HETATM 918 C5 DMY B 7 4.481 4.880 -4.299 1.00 0.00 C HETATM 919 C6 DMY B 7 5.384 3.335 -6.167 1.00 0.00 C HETATM 920 C7 DMY B 7 6.218 1.691 -3.563 1.00 0.00 C HETATM 921 O2 DMY B 7 5.895 0.917 -4.474 1.00 0.00 O HETATM 922 N3 DMY B 7 7.218 1.382 -2.561 1.00 0.00 N HETATM 923 C8 DMY B 7 8.106 0.268 -2.609 1.00 0.00 C HETATM 924 C9 DMY B 7 9.008 -0.122 -1.625 1.00 0.00 C HETATM 925 C10 DMY B 7 9.798 -1.164 -2.173 1.00 0.00 C HETATM 926 N4 DMY B 7 9.409 -1.407 -3.514 1.00 0.00 N HETATM 927 C11 DMY B 7 8.371 -0.515 -3.727 1.00 0.00 C HETATM 928 C12 DMY B 7 10.039 -2.268 -4.549 1.00 0.00 C HETATM 929 C13 DMY B 7 10.973 -1.926 -1.499 1.00 0.00 C HETATM 930 O3 DMY B 7 11.595 -2.744 -2.187 1.00 0.00 O HETATM 931 N5 DMY B 7 11.283 -1.678 -0.116 1.00 0.00 N HETATM 932 C14 DMY B 7 12.368 -2.240 0.611 1.00 0.00 C HETATM 933 C15 DMY B 7 12.627 -2.033 1.950 1.00 0.00 C HETATM 934 C16 DMY B 7 13.845 -2.693 2.251 1.00 0.00 C HETATM 935 N6 DMY B 7 14.373 -3.284 1.079 1.00 0.00 N HETATM 936 C17 DMY B 7 13.412 -3.019 0.111 1.00 0.00 C HETATM 937 C18 DMY B 7 15.693 -3.928 0.850 1.00 0.00 C HETATM 938 C19 DMY B 7 14.579 -2.734 3.615 1.00 0.00 C HETATM 939 O4 DMY B 7 15.707 -3.225 3.708 1.00 0.00 O HETATM 940 N7 DMY B 7 13.948 -2.265 4.698 1.00 0.00 N HETATM 941 C20 DMY B 7 14.670 -1.934 5.944 1.00 0.00 C HETATM 942 C21 DMY B 7 15.067 -3.150 6.804 1.00 0.00 C HETATM 943 C22 DMY B 7 16.202 -2.886 7.796 1.00 0.00 C HETATM 944 N8 DMY B 7 15.955 -2.539 9.045 1.00 0.00 N HETATM 945 N9 DMY B 7 17.459 -3.032 7.435 1.00 0.00 N HETATM 0 HN92 DMY B 7 18.206 -2.853 8.106 1.00 0.00 H new HETATM 0 HN91 DMY B 7 17.686 -3.324 6.484 1.00 0.00 H new HETATM 0 H212 DMY B 7 14.191 -3.489 7.357 1.00 0.00 H new HETATM 0 H211 DMY B 7 15.362 -3.965 6.143 1.00 0.00 H new HETATM 0 H202 DMY B 7 15.572 -1.378 5.688 1.00 0.00 H new HETATM 0 H201 DMY B 7 14.046 -1.271 6.543 1.00 0.00 H new HETATM 0 H183 DMY B 7 16.488 -3.206 1.040 1.00 0.00 H new HETATM 0 H182 DMY B 7 15.805 -4.777 1.524 1.00 0.00 H new HETATM 0 H181 DMY B 7 15.755 -4.273 -0.182 1.00 0.00 H new HETATM 0 H123 DMY B 7 11.057 -1.926 -4.737 1.00 0.00 H new HETATM 0 H122 DMY B 7 10.062 -3.300 -4.199 1.00 0.00 H new HETATM 0 H121 DMY B 7 9.461 -2.210 -5.471 1.00 0.00 H new HETATM 0 HN8 DMY B 7 16.797 -2.140 9.460 1.00 0.00 H new HETATM 0 HN7 DMY B 7 12.937 -2.132 4.662 1.00 0.00 H new HETATM 0 HN5 DMY B 7 10.668 -1.040 0.389 1.00 0.00 H new HETATM 0 HN3 DMY B 7 7.292 2.009 -1.760 1.00 0.00 H new HETATM 0 HN1 DMY B 7 3.941 5.721 -1.083 1.00 0.00 H new HETATM 0 H9 DMY B 7 9.092 0.295 -0.621 1.00 0.00 H new HETATM 0 H63 DMY B 7 6.461 3.364 -6.334 1.00 0.00 H new HETATM 0 H62 DMY B 7 5.014 2.328 -6.362 1.00 0.00 H new HETATM 0 H61 DMY B 7 4.893 4.038 -6.840 1.00 0.00 H new HETATM 0 H5 DMY B 7 4.028 5.633 -4.945 1.00 0.00 H new HETATM 0 H3 DMY B 7 5.429 3.615 -1.417 1.00 0.00 H new HETATM 0 H17 DMY B 7 13.467 -3.377 -0.917 1.00 0.00 H new HETATM 0 H15 DMY B 7 12.010 -1.467 2.647 1.00 0.00 H new HETATM 0 H11 DMY B 7 7.823 -0.436 -4.666 1.00 0.00 H new HETATM 0 H1 DMY B 7 3.188 7.902 -1.639 1.00 0.00 H new HETATM 974 C1 DMY F 7 13.615 -6.100 8.456 1.00 0.00 C HETATM 975 O1 DMY F 7 14.743 -6.600 8.477 1.00 0.00 O HETATM 976 N1 DMY F 7 12.856 -5.814 7.292 1.00 0.00 N HETATM 977 C2 DMY F 7 13.208 -6.024 5.949 1.00 0.00 C HETATM 978 C3 DMY F 7 12.463 -5.579 4.891 1.00 0.00 C HETATM 979 C4 DMY F 7 13.038 -6.089 3.721 1.00 0.00 C HETATM 980 N2 DMY F 7 14.220 -6.805 4.039 1.00 0.00 N HETATM 981 C5 DMY F 7 14.260 -6.768 5.436 1.00 0.00 C HETATM 982 C6 DMY F 7 15.166 -7.520 3.149 1.00 0.00 C HETATM 983 C7 DMY F 7 12.404 -6.024 2.311 1.00 0.00 C HETATM 984 O2 DMY F 7 12.991 -6.535 1.348 1.00 0.00 O HETATM 985 N3 DMY F 7 11.126 -5.369 2.192 1.00 0.00 N HETATM 986 C8 DMY F 7 10.331 -5.252 1.038 1.00 0.00 C HETATM 987 C9 DMY F 7 9.273 -4.387 0.891 1.00 0.00 C HETATM 988 C10 DMY F 7 8.730 -4.608 -0.390 1.00 0.00 C HETATM 989 N4 DMY F 7 9.426 -5.664 -1.033 1.00 0.00 N HETATM 990 C11 DMY F 7 10.416 -6.012 -0.116 1.00 0.00 C HETATM 991 C12 DMY F 7 9.166 -6.324 -2.336 1.00 0.00 C HETATM 992 C13 DMY F 7 7.572 -3.819 -1.047 1.00 0.00 C HETATM 993 O3 DMY F 7 7.208 -4.136 -2.189 1.00 0.00 O HETATM 994 N5 DMY F 7 6.971 -2.745 -0.304 1.00 0.00 N HETATM 995 C14 DMY F 7 5.910 -1.917 -0.730 1.00 0.00 C HETATM 996 C15 DMY F 7 5.562 -0.717 -0.159 1.00 0.00 C HETATM 997 C16 DMY F 7 4.481 -0.199 -0.891 1.00 0.00 C HETATM 998 N6 DMY F 7 4.130 -1.097 -1.944 1.00 0.00 N HETATM 999 C17 DMY F 7 5.038 -2.142 -1.785 1.00 0.00 C HETATM 1000 C18 DMY F 7 3.148 -0.969 -3.048 1.00 0.00 C HETATM 1001 C19 DMY F 7 3.863 1.190 -0.598 1.00 0.00 C HETATM 1002 O4 DMY F 7 4.391 1.978 0.182 1.00 0.00 O HETATM 1003 N7 DMY F 7 2.758 1.533 -1.268 1.00 0.00 N HETATM 1004 C20 DMY F 7 2.024 2.779 -1.000 1.00 0.00 C HETATM 1005 C21 DMY F 7 1.080 3.075 -2.177 1.00 0.00 C HETATM 1006 C22 DMY F 7 0.171 4.277 -1.931 1.00 0.00 C HETATM 1007 N8 DMY F 7 -1.013 4.122 -1.365 1.00 0.00 N HETATM 1008 N9 DMY F 7 0.520 5.474 -2.364 1.00 0.00 N HETATM 0 HN92 DMY F 7 -0.090 6.274 -2.198 1.00 0.00 H new HETATM 0 HN91 DMY F 7 1.400 5.599 -2.865 1.00 0.00 H new HETATM 0 H212 DMY F 7 1.673 3.254 -3.074 1.00 0.00 H new HETATM 0 H211 DMY F 7 0.465 2.196 -2.371 1.00 0.00 H new HETATM 0 H202 DMY F 7 1.454 2.687 -0.076 1.00 0.00 H new HETATM 0 H201 DMY F 7 2.723 3.604 -0.863 1.00 0.00 H new HETATM 0 H183 DMY F 7 2.150 -0.831 -2.633 1.00 0.00 H new HETATM 0 H182 DMY F 7 3.406 -0.109 -3.667 1.00 0.00 H new HETATM 0 H181 DMY F 7 3.166 -1.873 -3.657 1.00 0.00 H new HETATM 0 H123 DMY F 7 8.172 -6.771 -2.325 1.00 0.00 H new HETATM 0 H122 DMY F 7 9.223 -5.585 -3.136 1.00 0.00 H new HETATM 0 H121 DMY F 7 9.912 -7.101 -2.506 1.00 0.00 H new HETATM 0 HN8 DMY F 7 -1.473 5.029 -1.283 1.00 0.00 H new HETATM 0 HN7 DMY F 7 2.410 0.906 -1.993 1.00 0.00 H new HETATM 0 HN5 DMY F 7 7.350 -2.563 0.625 1.00 0.00 H new HETATM 0 HN3 DMY F 7 10.756 -4.942 3.041 1.00 0.00 H new HETATM 0 HN1 DMY F 7 11.936 -5.403 7.451 1.00 0.00 H new HETATM 0 H9 DMY F 7 8.920 -3.665 1.628 1.00 0.00 H new HETATM 0 H63 DMY F 7 14.637 -8.310 2.616 1.00 0.00 H new HETATM 0 H62 DMY F 7 15.591 -6.819 2.431 1.00 0.00 H new HETATM 0 H61 DMY F 7 15.967 -7.958 3.745 1.00 0.00 H new HETATM 0 H5 DMY F 7 15.020 -7.260 6.043 1.00 0.00 H new HETATM 0 H3 DMY F 7 11.580 -4.942 4.949 1.00 0.00 H new HETATM 0 H17 DMY F 7 5.060 -3.031 -2.415 1.00 0.00 H new HETATM 0 H15 DMY F 7 6.038 -0.252 0.704 1.00 0.00 H new HETATM 0 H11 DMY F 7 11.164 -6.786 -0.286 1.00 0.00 H new HETATM 0 H1 DMY F 7 13.162 -5.857 9.417 1.00 0.00 H new