USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=12 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 150:sc= -0.368 (180deg=-0.368) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc=-0.00492 (180deg=-2.97!) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 7 DMY N8 :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot -28:sc= 0.00833 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= 0.308 (180deg=0.198) USER MOD Single : E 1 DT C7 :methyl 150:sc= -0.046 (180deg=-0.046) USER MOD Single : E 1 DT O5' : rot 180:sc= 0 USER MOD Single : E 6 DT C7 :methyl -30:sc= -0.528 (180deg=-1.21) 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 150:sc= -0.374 (180deg=-0.374) USER MOD Single : F 1 DT O5' : rot 180:sc= 0 USER MOD Single : F 6 DT C7 :methyl -30:sc= 0 (180deg=-0.125) 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 12.705 19.177 8.060 1.00 0.00 O ATOM 2 C5' DT A 1 12.295 18.292 7.017 1.00 0.00 C ATOM 3 C4' DT A 1 10.837 17.817 7.196 1.00 0.00 C ATOM 4 O4' DT A 1 10.503 17.009 6.046 1.00 0.00 O ATOM 5 C3' DT A 1 10.576 16.954 8.446 1.00 0.00 C ATOM 6 O3' DT A 1 9.266 17.248 8.983 1.00 0.00 O ATOM 7 C2' DT A 1 10.611 15.539 7.881 1.00 0.00 C ATOM 8 C1' DT A 1 10.025 15.718 6.483 1.00 0.00 C ATOM 9 N1 DT A 1 10.436 14.655 5.525 1.00 0.00 N ATOM 10 C2 DT A 1 9.487 13.821 4.961 1.00 0.00 C ATOM 11 O2 DT A 1 8.282 14.001 5.137 1.00 0.00 O ATOM 12 N3 DT A 1 9.839 12.792 4.161 1.00 0.00 N ATOM 13 C4 DT A 1 11.119 12.506 3.811 1.00 0.00 C ATOM 14 O4 DT A 1 11.369 11.591 3.035 1.00 0.00 O ATOM 15 C5 DT A 1 12.242 13.427 4.387 1.00 0.00 C ATOM 16 C7 DT A 1 13.695 13.168 4.050 1.00 0.00 C ATOM 17 C6 DT A 1 11.873 14.433 5.209 1.00 0.00 C ATOM 0 H5' DT A 1 12.957 17.427 6.996 1.00 0.00 H new ATOM 0 H5'' DT A 1 12.396 18.795 6.055 1.00 0.00 H new ATOM 0 H4' DT A 1 10.233 18.718 7.308 1.00 0.00 H new ATOM 0 H3' DT A 1 11.288 17.119 9.255 1.00 0.00 H new ATOM 0 H2' DT A 1 11.626 15.142 7.846 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.019 14.849 8.482 1.00 0.00 H new ATOM 0 HO5' DT A 1 13.633 19.452 7.909 1.00 0.00 H new ATOM 0 H1' DT A 1 8.938 15.649 6.516 1.00 0.00 H new ATOM 0 H3 DT A 1 9.098 12.193 3.797 1.00 0.00 H new ATOM 0 H71 DT A 1 14.243 14.110 4.056 1.00 0.00 H new ATOM 0 H72 DT A 1 14.125 12.493 4.790 1.00 0.00 H new ATOM 0 H73 DT A 1 13.764 12.714 3.061 1.00 0.00 H new ATOM 0 H6 DT A 1 12.624 15.079 5.639 1.00 0.00 H new ATOM 31 P DG A 2 8.953 16.886 10.526 1.00 0.00 P ATOM 32 OP1 DG A 2 9.798 17.835 11.388 1.00 0.00 O ATOM 33 OP2 DG A 2 9.375 15.448 10.744 1.00 0.00 O ATOM 34 O5' DG A 2 7.391 17.042 10.900 1.00 0.00 O ATOM 35 C5' DG A 2 6.361 17.698 10.131 1.00 0.00 C ATOM 36 C4' DG A 2 5.059 16.856 10.072 1.00 0.00 C ATOM 37 O4' DG A 2 5.147 15.956 8.945 1.00 0.00 O ATOM 38 C3' DG A 2 4.742 16.015 11.334 1.00 0.00 C ATOM 39 O3' DG A 2 3.338 16.087 11.668 1.00 0.00 O ATOM 40 C2' DG A 2 5.163 14.612 10.904 1.00 0.00 C ATOM 41 C1' DG A 2 4.952 14.604 9.386 1.00 0.00 C ATOM 42 N9 DG A 2 5.910 13.710 8.672 1.00 0.00 N ATOM 43 C8 DG A 2 7.298 13.683 8.679 1.00 0.00 C ATOM 44 N7 DG A 2 8.013 12.726 7.998 1.00 0.00 N ATOM 45 C5 DG A 2 6.926 12.083 7.435 1.00 0.00 C ATOM 46 C6 DG A 2 6.947 10.934 6.396 1.00 0.00 C ATOM 47 O6 DG A 2 7.983 10.424 5.978 1.00 0.00 O ATOM 48 N1 DG A 2 5.734 10.535 5.937 1.00 0.00 N ATOM 49 C2 DG A 2 4.496 11.173 6.350 1.00 0.00 C ATOM 50 N2 DG A 2 3.315 10.767 5.816 1.00 0.00 N ATOM 51 N3 DG A 2 4.475 12.150 7.179 1.00 0.00 N ATOM 52 C4 DG A 2 5.666 12.663 7.801 1.00 0.00 C ATOM 0 H5' DG A 2 6.723 17.879 9.119 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.144 18.672 10.570 1.00 0.00 H new ATOM 0 H4' DG A 2 4.250 17.581 9.987 1.00 0.00 H new ATOM 0 H3' DG A 2 5.253 16.355 12.235 1.00 0.00 H new ATOM 0 H2' DG A 2 6.203 14.412 11.162 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.560 13.848 11.394 1.00 0.00 H new ATOM 0 H1' DG A 2 3.955 14.225 9.163 1.00 0.00 H new ATOM 0 H8 DG A 2 7.833 14.437 9.237 1.00 0.00 H new ATOM 0 H1 DG A 2 5.690 9.758 5.277 1.00 0.00 H new ATOM 0 H21 DG A 2 2.445 11.214 6.105 1.00 0.00 H new ATOM 0 H22 DG A 2 3.299 10.016 5.126 1.00 0.00 H new ATOM 64 P DG A 3 2.712 15.435 13.021 1.00 0.00 P ATOM 65 OP1 DG A 3 1.646 16.393 13.577 1.00 0.00 O ATOM 66 OP2 DG A 3 3.782 15.275 14.099 1.00 0.00 O ATOM 67 O5' DG A 3 2.037 14.007 12.680 1.00 0.00 O ATOM 68 C5' DG A 3 1.120 13.805 11.571 1.00 0.00 C ATOM 69 C4' DG A 3 1.099 12.341 11.077 1.00 0.00 C ATOM 70 O4' DG A 3 2.305 12.059 10.298 1.00 0.00 O ATOM 71 C3' DG A 3 1.013 11.283 12.215 1.00 0.00 C ATOM 72 O3' DG A 3 0.102 10.200 11.918 1.00 0.00 O ATOM 73 C2' DG A 3 2.410 10.677 12.116 1.00 0.00 C ATOM 74 C1' DG A 3 2.633 10.705 10.615 1.00 0.00 C ATOM 75 N9 DG A 3 3.991 10.245 10.208 1.00 0.00 N ATOM 76 C8 DG A 3 5.282 10.591 10.594 1.00 0.00 C ATOM 77 N7 DG A 3 6.380 9.872 10.156 1.00 0.00 N ATOM 78 C5 DG A 3 5.682 8.951 9.382 1.00 0.00 C ATOM 79 C6 DG A 3 6.256 7.845 8.451 1.00 0.00 C ATOM 80 O6 DG A 3 7.455 7.633 8.327 1.00 0.00 O ATOM 81 N1 DG A 3 5.345 7.129 7.741 1.00 0.00 N ATOM 82 C2 DG A 3 3.920 7.380 7.838 1.00 0.00 C ATOM 83 N2 DG A 3 3.044 6.638 7.108 1.00 0.00 N ATOM 84 N3 DG A 3 3.447 8.297 8.595 1.00 0.00 N ATOM 85 C4 DG A 3 4.271 9.157 9.400 1.00 0.00 C ATOM 0 H5' DG A 3 1.403 14.459 10.746 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.115 14.096 11.878 1.00 0.00 H new ATOM 0 H4' DG A 3 0.193 12.254 10.477 1.00 0.00 H new ATOM 0 H3' DG A 3 0.692 11.723 13.159 1.00 0.00 H new ATOM 0 H2' DG A 3 3.153 11.265 12.654 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.450 9.665 12.520 1.00 0.00 H new ATOM 0 H1' DG A 3 2.024 9.998 10.052 1.00 0.00 H new ATOM 0 H8 DG A 3 5.430 11.437 11.248 1.00 0.00 H new ATOM 0 H1 DG A 3 5.674 6.391 7.119 1.00 0.00 H new ATOM 0 H21 DG A 3 2.042 6.817 7.178 1.00 0.00 H new ATOM 0 H22 DG A 3 3.389 5.903 6.491 1.00 0.00 H new ATOM 97 P DG A 4 -1.402 9.996 12.452 1.00 0.00 P ATOM 98 OP1 DG A 4 -2.361 11.009 11.823 1.00 0.00 O ATOM 99 OP2 DG A 4 -1.485 10.164 13.984 1.00 0.00 O ATOM 100 O5' DG A 4 -1.882 8.487 12.114 1.00 0.00 O ATOM 101 C5' DG A 4 -1.955 7.910 10.772 1.00 0.00 C ATOM 102 C4' DG A 4 -1.382 6.468 10.684 1.00 0.00 C ATOM 103 O4' DG A 4 0.033 6.505 10.354 1.00 0.00 O ATOM 104 C3' DG A 4 -1.511 5.633 11.987 1.00 0.00 C ATOM 105 O3' DG A 4 -2.014 4.305 11.746 1.00 0.00 O ATOM 106 C2' DG A 4 -0.049 5.538 12.428 1.00 0.00 C ATOM 107 C1' DG A 4 0.640 5.433 11.074 1.00 0.00 C ATOM 108 N9 DG A 4 2.128 5.519 11.125 1.00 0.00 N ATOM 109 C8 DG A 4 3.018 6.277 11.883 1.00 0.00 C ATOM 110 N7 DG A 4 4.380 6.056 11.828 1.00 0.00 N ATOM 111 C5 DG A 4 4.348 5.045 10.876 1.00 0.00 C ATOM 112 C6 DG A 4 5.546 4.254 10.280 1.00 0.00 C ATOM 113 O6 DG A 4 6.704 4.432 10.638 1.00 0.00 O ATOM 114 N1 DG A 4 5.235 3.325 9.336 1.00 0.00 N ATOM 115 C2 DG A 4 3.866 3.058 8.937 1.00 0.00 C ATOM 116 N2 DG A 4 3.590 2.083 8.024 1.00 0.00 N ATOM 117 N3 DG A 4 2.875 3.690 9.446 1.00 0.00 N ATOM 118 C4 DG A 4 3.028 4.726 10.432 1.00 0.00 C ATOM 0 H5' DG A 4 -1.410 8.552 10.079 1.00 0.00 H new ATOM 0 H5'' DG A 4 -2.995 7.899 10.446 1.00 0.00 H new ATOM 0 H4' DG A 4 -1.984 5.988 9.912 1.00 0.00 H new ATOM 0 H3' DG A 4 -2.200 6.079 12.704 1.00 0.00 H new ATOM 0 H2' DG A 4 0.273 6.415 12.990 1.00 0.00 H new ATOM 0 H2'' DG A 4 0.139 4.668 13.058 1.00 0.00 H new ATOM 0 H1' DG A 4 0.507 4.457 10.608 1.00 0.00 H new ATOM 0 H8 DG A 4 2.634 7.054 12.527 1.00 0.00 H new ATOM 0 H1 DG A 4 5.989 2.799 8.894 1.00 0.00 H new ATOM 0 H21 DG A 4 2.625 1.901 7.748 1.00 0.00 H new ATOM 0 H22 DG A 4 4.349 1.536 7.617 1.00 0.00 H new ATOM 130 P DG A 5 -2.729 3.433 12.899 1.00 0.00 P ATOM 131 OP1 DG A 5 -4.111 4.027 13.195 1.00 0.00 O ATOM 132 OP2 DG A 5 -1.938 3.549 14.213 1.00 0.00 O ATOM 133 O5' DG A 5 -2.874 1.884 12.441 1.00 0.00 O ATOM 134 C5' DG A 5 -3.268 1.449 11.103 1.00 0.00 C ATOM 135 C4' DG A 5 -2.484 0.192 10.648 1.00 0.00 C ATOM 136 O4' DG A 5 -1.112 0.588 10.407 1.00 0.00 O ATOM 137 C3' DG A 5 -2.473 -0.951 11.703 1.00 0.00 C ATOM 138 O3' DG A 5 -2.651 -2.279 11.144 1.00 0.00 O ATOM 139 C2' DG A 5 -1.058 -0.822 12.257 1.00 0.00 C ATOM 140 C1' DG A 5 -0.266 -0.372 11.029 1.00 0.00 C ATOM 141 N9 DG A 5 1.076 0.200 11.347 1.00 0.00 N ATOM 142 C8 DG A 5 1.507 1.129 12.289 1.00 0.00 C ATOM 143 N7 DG A 5 2.850 1.375 12.494 1.00 0.00 N ATOM 144 C5 DG A 5 3.330 0.522 11.510 1.00 0.00 C ATOM 145 C6 DG A 5 4.810 0.224 11.137 1.00 0.00 C ATOM 146 O6 DG A 5 5.766 0.705 11.739 1.00 0.00 O ATOM 147 N1 DG A 5 4.995 -0.624 10.089 1.00 0.00 N ATOM 148 C2 DG A 5 3.882 -1.222 9.367 1.00 0.00 C ATOM 149 N2 DG A 5 4.113 -2.053 8.313 1.00 0.00 N ATOM 150 N3 DG A 5 2.665 -1.018 9.710 1.00 0.00 N ATOM 151 C4 DG A 5 2.292 -0.142 10.785 1.00 0.00 C ATOM 0 H5' DG A 5 -3.098 2.259 10.394 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.337 1.234 11.091 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.980 -0.195 9.758 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.289 -0.854 12.419 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.003 -0.093 13.066 1.00 0.00 H new ATOM 0 H2'' DG A 5 -0.689 -1.768 12.654 1.00 0.00 H new ATOM 0 H1' DG A 5 -0.029 -1.220 10.386 1.00 0.00 H new ATOM 0 H8 DG A 5 0.776 1.669 12.872 1.00 0.00 H new ATOM 0 H1 DG A 5 5.947 -0.848 9.799 1.00 0.00 H new ATOM 0 H21 DG A 5 3.329 -2.469 7.811 1.00 0.00 H new ATOM 0 H22 DG A 5 5.070 -2.259 8.026 1.00 0.00 H new ATOM 163 P DT A 6 -3.191 -3.539 12.026 1.00 0.00 P ATOM 164 OP1 DT A 6 -4.677 -3.785 11.727 1.00 0.00 O ATOM 165 OP2 DT A 6 -3.054 -3.275 13.529 1.00 0.00 O ATOM 166 O5' DT A 6 -2.372 -4.896 11.673 1.00 0.00 O ATOM 167 C5' DT A 6 -2.389 -5.508 10.364 1.00 0.00 C ATOM 168 C4' DT A 6 -0.976 -5.907 9.892 1.00 0.00 C ATOM 169 O4' DT A 6 -0.069 -4.802 9.993 1.00 0.00 O ATOM 170 C3' DT A 6 -0.313 -7.030 10.696 1.00 0.00 C ATOM 171 O3' DT A 6 -0.675 -8.319 10.215 1.00 0.00 O ATOM 172 C2' DT A 6 1.174 -6.778 10.454 1.00 0.00 C ATOM 173 C1' DT A 6 1.285 -5.299 10.024 1.00 0.00 C ATOM 174 N1 DT A 6 2.166 -4.527 10.945 1.00 0.00 N ATOM 175 C2 DT A 6 3.538 -4.559 10.763 1.00 0.00 C ATOM 176 O2 DT A 6 4.066 -5.214 9.866 1.00 0.00 O ATOM 177 N3 DT A 6 4.371 -3.906 11.601 1.00 0.00 N ATOM 178 C4 DT A 6 3.964 -3.196 12.677 1.00 0.00 C ATOM 179 O4 DT A 6 4.809 -2.680 13.404 1.00 0.00 O ATOM 180 C5 DT A 6 2.426 -3.123 12.952 1.00 0.00 C ATOM 181 C7 DT A 6 1.882 -2.344 14.134 1.00 0.00 C ATOM 182 C6 DT A 6 1.599 -3.748 12.079 1.00 0.00 C ATOM 0 H5' DT A 6 -2.828 -4.815 9.646 1.00 0.00 H new ATOM 0 H5'' DT A 6 -3.027 -6.392 10.386 1.00 0.00 H new ATOM 0 H4' DT A 6 -1.146 -6.244 8.869 1.00 0.00 H new ATOM 0 H3' DT A 6 -0.607 -7.022 11.746 1.00 0.00 H new ATOM 0 H2' DT A 6 1.755 -6.967 11.357 1.00 0.00 H new ATOM 0 H2'' DT A 6 1.562 -7.440 9.680 1.00 0.00 H new ATOM 0 HO3' DT A 6 -0.230 -9.006 10.754 1.00 0.00 H new ATOM 0 H1' DT A 6 1.754 -5.193 9.046 1.00 0.00 H new ATOM 0 H3 DT A 6 5.372 -3.951 11.410 1.00 0.00 H new ATOM 0 H71 DT A 6 2.613 -2.353 14.943 1.00 0.00 H new ATOM 0 H72 DT A 6 1.687 -1.315 13.833 1.00 0.00 H new ATOM 0 H73 DT A 6 0.955 -2.804 14.477 1.00 0.00 H new ATOM 0 H6 DT A 6 0.529 -3.681 12.206 1.00 0.00 H new TER 196 DT A 6 ATOM 197 O5' DT B 1 7.917 7.572 -6.705 1.00 0.00 O ATOM 198 C5' DT B 1 7.692 6.386 -5.947 1.00 0.00 C ATOM 199 C4' DT B 1 8.880 6.133 -5.001 1.00 0.00 C ATOM 200 O4' DT B 1 9.005 7.273 -4.114 1.00 0.00 O ATOM 201 C3' DT B 1 8.704 4.876 -4.117 1.00 0.00 C ATOM 202 O3' DT B 1 9.912 4.099 -4.050 1.00 0.00 O ATOM 203 C2' DT B 1 8.431 5.468 -2.743 1.00 0.00 C ATOM 204 C1' DT B 1 9.213 6.781 -2.775 1.00 0.00 C ATOM 205 N1 DT B 1 8.764 7.777 -1.761 1.00 0.00 N ATOM 206 C2 DT B 1 9.633 8.197 -0.770 1.00 0.00 C ATOM 207 O2 DT B 1 10.808 7.830 -0.742 1.00 0.00 O ATOM 208 N3 DT B 1 9.244 9.053 0.198 1.00 0.00 N ATOM 209 C4 DT B 1 8.006 9.601 0.273 1.00 0.00 C ATOM 210 O4 DT B 1 7.729 10.408 1.151 1.00 0.00 O ATOM 211 C5 DT B 1 6.978 9.201 -0.834 1.00 0.00 C ATOM 212 C7 DT B 1 5.581 9.791 -0.814 1.00 0.00 C ATOM 213 C6 DT B 1 7.374 8.314 -1.773 1.00 0.00 C ATOM 0 H5' DT B 1 7.562 5.536 -6.617 1.00 0.00 H new ATOM 0 H5'' DT B 1 6.772 6.482 -5.371 1.00 0.00 H new ATOM 0 H4' DT B 1 9.759 5.981 -5.627 1.00 0.00 H new ATOM 0 H3' DT B 1 7.927 4.212 -4.497 1.00 0.00 H new ATOM 0 H2' DT B 1 7.366 5.636 -2.580 1.00 0.00 H new ATOM 0 H2'' DT B 1 8.776 4.811 -1.944 1.00 0.00 H new ATOM 0 HO5' DT B 1 8.483 8.186 -6.192 1.00 0.00 H new ATOM 0 H1' DT B 1 10.261 6.616 -2.526 1.00 0.00 H new ATOM 0 H3 DT B 1 9.923 9.303 0.917 1.00 0.00 H new ATOM 0 H71 DT B 1 5.202 9.863 -1.833 1.00 0.00 H new ATOM 0 H72 DT B 1 4.924 9.150 -0.227 1.00 0.00 H new ATOM 0 H73 DT B 1 5.612 10.785 -0.367 1.00 0.00 H new ATOM 0 H6 DT B 1 6.680 7.993 -2.536 1.00 0.00 H new ATOM 227 P DG B 2 10.240 2.917 -5.105 1.00 0.00 P ATOM 228 OP1 DG B 2 10.668 3.544 -6.440 1.00 0.00 O ATOM 229 OP2 DG B 2 8.961 2.120 -5.391 1.00 0.00 O ATOM 230 O5' DG B 2 11.405 1.938 -4.541 1.00 0.00 O ATOM 231 C5' DG B 2 12.837 2.206 -4.622 1.00 0.00 C ATOM 232 C4' DG B 2 13.577 2.133 -3.264 1.00 0.00 C ATOM 233 O4' DG B 2 13.307 3.337 -2.525 1.00 0.00 O ATOM 234 C3' DG B 2 13.209 0.943 -2.348 1.00 0.00 C ATOM 235 O3' DG B 2 14.164 -0.156 -2.305 1.00 0.00 O ATOM 236 C2' DG B 2 12.970 1.573 -0.973 1.00 0.00 C ATOM 237 C1' DG B 2 13.383 3.048 -1.126 1.00 0.00 C ATOM 238 N9 DG B 2 12.477 3.980 -0.398 1.00 0.00 N ATOM 239 C8 DG B 2 11.103 4.126 -0.489 1.00 0.00 C ATOM 240 N7 DG B 2 10.395 4.916 0.385 1.00 0.00 N ATOM 241 C5 DG B 2 11.490 5.408 1.079 1.00 0.00 C ATOM 242 C6 DG B 2 11.492 6.498 2.180 1.00 0.00 C ATOM 243 O6 DG B 2 10.467 7.024 2.602 1.00 0.00 O ATOM 244 N1 DG B 2 12.714 6.871 2.637 1.00 0.00 N ATOM 245 C2 DG B 2 13.947 6.329 2.098 1.00 0.00 C ATOM 246 N2 DG B 2 15.142 6.785 2.561 1.00 0.00 N ATOM 247 N3 DG B 2 13.954 5.453 1.159 1.00 0.00 N ATOM 248 C4 DG B 2 12.745 4.903 0.601 1.00 0.00 C ATOM 0 H5' DG B 2 12.986 3.197 -5.051 1.00 0.00 H new ATOM 0 H5'' DG B 2 13.290 1.491 -5.308 1.00 0.00 H new ATOM 0 H4' DG B 2 14.626 2.000 -3.530 1.00 0.00 H new ATOM 0 H3' DG B 2 12.331 0.435 -2.747 1.00 0.00 H new ATOM 0 H2' DG B 2 11.925 1.486 -0.676 1.00 0.00 H new ATOM 0 H2'' DG B 2 13.562 1.076 -0.204 1.00 0.00 H new ATOM 0 H1' DG B 2 14.380 3.188 -0.708 1.00 0.00 H new ATOM 0 H8 DG B 2 10.572 3.603 -1.270 1.00 0.00 H new ATOM 0 H1 DG B 2 12.768 7.559 3.388 1.00 0.00 H new ATOM 0 H21 DG B 2 16.012 6.407 2.186 1.00 0.00 H new ATOM 0 H22 DG B 2 15.168 7.504 3.284 1.00 0.00 H new ATOM 260 P DG B 3 15.759 -0.064 -2.021 1.00 0.00 P ATOM 261 OP1 DG B 3 16.488 0.095 -3.365 1.00 0.00 O ATOM 262 OP2 DG B 3 16.244 -1.367 -1.380 1.00 0.00 O ATOM 263 O5' DG B 3 16.076 1.217 -1.078 1.00 0.00 O ATOM 264 C5' DG B 3 17.212 1.375 -0.199 1.00 0.00 C ATOM 265 C4' DG B 3 16.809 1.525 1.288 1.00 0.00 C ATOM 266 O4' DG B 3 15.645 2.364 1.514 1.00 0.00 O ATOM 267 C3' DG B 3 16.481 0.205 2.008 1.00 0.00 C ATOM 268 O3' DG B 3 17.664 -0.492 2.498 1.00 0.00 O ATOM 269 C2' DG B 3 15.459 0.617 3.077 1.00 0.00 C ATOM 270 C1' DG B 3 15.318 2.130 2.897 1.00 0.00 C ATOM 271 N9 DG B 3 13.973 2.637 3.305 1.00 0.00 N ATOM 272 C8 DG B 3 12.680 2.330 2.898 1.00 0.00 C ATOM 273 N7 DG B 3 11.575 2.869 3.530 1.00 0.00 N ATOM 274 C5 DG B 3 12.272 3.641 4.452 1.00 0.00 C ATOM 275 C6 DG B 3 11.697 4.626 5.509 1.00 0.00 C ATOM 276 O6 DG B 3 10.496 4.809 5.666 1.00 0.00 O ATOM 277 N1 DG B 3 12.616 5.300 6.253 1.00 0.00 N ATOM 278 C2 DG B 3 14.047 5.124 6.063 1.00 0.00 C ATOM 279 N2 DG B 3 14.933 5.805 6.836 1.00 0.00 N ATOM 280 N3 DG B 3 14.514 4.332 5.174 1.00 0.00 N ATOM 281 C4 DG B 3 13.691 3.530 4.321 1.00 0.00 C ATOM 0 H5' DG B 3 17.783 2.252 -0.505 1.00 0.00 H new ATOM 0 H5'' DG B 3 17.870 0.513 -0.306 1.00 0.00 H new ATOM 0 H4' DG B 3 17.714 1.978 1.693 1.00 0.00 H new ATOM 0 H3' DG B 3 16.061 -0.553 1.347 1.00 0.00 H new ATOM 0 H2' DG B 3 14.506 0.108 2.934 1.00 0.00 H new ATOM 0 H2'' DG B 3 15.807 0.366 4.079 1.00 0.00 H new ATOM 0 H1' DG B 3 15.986 2.690 3.552 1.00 0.00 H new ATOM 0 H8 DG B 3 12.535 1.654 2.068 1.00 0.00 H new ATOM 0 H1 DG B 3 12.290 5.950 6.968 1.00 0.00 H new ATOM 0 H21 DG B 3 15.935 5.676 6.697 1.00 0.00 H new ATOM 0 H22 DG B 3 14.596 6.445 7.555 1.00 0.00 H new ATOM 293 P DG B 4 18.481 -0.260 3.888 1.00 0.00 P ATOM 294 OP1 DG B 4 19.928 -0.722 3.667 1.00 0.00 O ATOM 295 OP2 DG B 4 17.874 -1.132 4.999 1.00 0.00 O ATOM 296 O5' DG B 4 18.454 1.309 4.296 1.00 0.00 O ATOM 297 C5' DG B 4 19.308 1.950 5.286 1.00 0.00 C ATOM 298 C4' DG B 4 18.667 2.097 6.688 1.00 0.00 C ATOM 299 O4' DG B 4 17.263 2.476 6.643 1.00 0.00 O ATOM 300 C3' DG B 4 18.746 0.820 7.560 1.00 0.00 C ATOM 301 O3' DG B 4 19.654 0.964 8.669 1.00 0.00 O ATOM 302 C2' DG B 4 17.321 0.689 8.085 1.00 0.00 C ATOM 303 C1' DG B 4 16.738 2.085 7.915 1.00 0.00 C ATOM 304 N9 DG B 4 15.247 2.063 7.965 1.00 0.00 N ATOM 305 C8 DG B 4 14.317 1.444 7.147 1.00 0.00 C ATOM 306 N7 DG B 4 12.963 1.570 7.365 1.00 0.00 N ATOM 307 C5 DG B 4 13.049 2.415 8.461 1.00 0.00 C ATOM 308 C6 DG B 4 11.885 3.047 9.271 1.00 0.00 C ATOM 309 O6 DG B 4 10.705 2.868 8.994 1.00 0.00 O ATOM 310 N1 DG B 4 12.246 3.815 10.330 1.00 0.00 N ATOM 311 C2 DG B 4 13.634 3.998 10.709 1.00 0.00 C ATOM 312 N2 DG B 4 13.943 4.640 11.865 1.00 0.00 N ATOM 313 N3 DG B 4 14.599 3.519 10.016 1.00 0.00 N ATOM 314 C4 DG B 4 14.395 2.708 8.848 1.00 0.00 C ATOM 0 H5' DG B 4 19.586 2.939 4.922 1.00 0.00 H new ATOM 0 H5'' DG B 4 20.229 1.375 5.380 1.00 0.00 H new ATOM 0 H4' DG B 4 19.268 2.889 7.136 1.00 0.00 H new ATOM 0 H3' DG B 4 19.110 -0.039 6.996 1.00 0.00 H new ATOM 0 H2' DG B 4 16.754 -0.052 7.521 1.00 0.00 H new ATOM 0 H2'' DG B 4 17.307 0.375 9.129 1.00 0.00 H new ATOM 0 H1' DG B 4 17.003 2.786 8.707 1.00 0.00 H new ATOM 0 H8 DG B 4 14.662 0.847 6.316 1.00 0.00 H new ATOM 0 H1 DG B 4 11.519 4.278 10.876 1.00 0.00 H new ATOM 0 H21 DG B 4 14.919 4.769 12.132 1.00 0.00 H new ATOM 0 H22 DG B 4 13.199 4.993 12.467 1.00 0.00 H new ATOM 326 P DG B 5 20.155 -0.281 9.571 1.00 0.00 P ATOM 327 OP1 DG B 5 21.577 -0.691 9.168 1.00 0.00 O ATOM 328 OP2 DG B 5 19.228 -1.510 9.390 1.00 0.00 O ATOM 329 O5' DG B 5 20.162 0.130 11.133 1.00 0.00 O ATOM 330 C5' DG B 5 20.337 1.474 11.675 1.00 0.00 C ATOM 331 C4' DG B 5 19.459 1.668 12.939 1.00 0.00 C ATOM 332 O4' DG B 5 18.093 1.923 12.515 1.00 0.00 O ATOM 333 C3' DG B 5 19.425 0.421 13.878 1.00 0.00 C ATOM 334 O3' DG B 5 19.541 0.756 15.288 1.00 0.00 O ATOM 335 C2' DG B 5 18.038 -0.138 13.548 1.00 0.00 C ATOM 336 C1' DG B 5 17.244 1.149 13.354 1.00 0.00 C ATOM 337 N9 DG B 5 15.886 0.943 12.774 1.00 0.00 N ATOM 338 C8 DG B 5 15.427 0.235 11.672 1.00 0.00 C ATOM 339 N7 DG B 5 14.078 0.091 11.413 1.00 0.00 N ATOM 340 C5 DG B 5 13.628 0.886 12.462 1.00 0.00 C ATOM 341 C6 DG B 5 12.161 1.219 12.851 1.00 0.00 C ATOM 342 O6 DG B 5 11.192 0.745 12.266 1.00 0.00 O ATOM 343 N1 DG B 5 12.002 2.043 13.923 1.00 0.00 N ATOM 344 C2 DG B 5 13.131 2.551 14.682 1.00 0.00 C ATOM 345 N2 DG B 5 12.927 3.345 15.777 1.00 0.00 N ATOM 346 N3 DG B 5 14.338 2.254 14.382 1.00 0.00 N ATOM 347 C4 DG B 5 14.686 1.418 13.265 1.00 0.00 C ATOM 0 H5' DG B 5 20.069 2.214 10.921 1.00 0.00 H new ATOM 0 H5'' DG B 5 21.385 1.638 11.924 1.00 0.00 H new ATOM 0 H4' DG B 5 19.897 2.495 13.498 1.00 0.00 H new ATOM 0 H3' DG B 5 20.257 -0.266 13.720 1.00 0.00 H new ATOM 0 H2' DG B 5 18.046 -0.757 12.651 1.00 0.00 H new ATOM 0 H2'' DG B 5 17.638 -0.752 14.355 1.00 0.00 H new ATOM 0 H1' DG B 5 17.014 1.637 14.301 1.00 0.00 H new ATOM 0 H8 DG B 5 16.143 -0.215 11.000 1.00 0.00 H new ATOM 0 H1 DG B 5 11.059 2.312 14.202 1.00 0.00 H new ATOM 0 H21 DG B 5 13.724 3.699 16.306 1.00 0.00 H new ATOM 0 H22 DG B 5 11.978 3.583 16.064 1.00 0.00 H new ATOM 359 P DT B 6 19.490 -0.350 16.485 1.00 0.00 P ATOM 360 OP1 DT B 6 20.509 0.008 17.576 1.00 0.00 O ATOM 361 OP2 DT B 6 19.850 -1.748 15.967 1.00 0.00 O ATOM 362 O5' DT B 6 18.009 -0.398 17.148 1.00 0.00 O ATOM 363 C5' DT B 6 17.363 0.788 17.669 1.00 0.00 C ATOM 364 C4' DT B 6 15.858 0.585 17.933 1.00 0.00 C ATOM 365 O4' DT B 6 15.175 0.269 16.716 1.00 0.00 O ATOM 366 C3' DT B 6 15.468 -0.554 18.889 1.00 0.00 C ATOM 367 O3' DT B 6 15.369 -0.115 20.240 1.00 0.00 O ATOM 368 C2' DT B 6 14.095 -1.004 18.376 1.00 0.00 C ATOM 369 C1' DT B 6 13.878 -0.227 17.067 1.00 0.00 C ATOM 370 N1 DT B 6 13.274 -1.047 15.981 1.00 0.00 N ATOM 371 C2 DT B 6 11.906 -1.019 15.787 1.00 0.00 C ATOM 372 O2 DT B 6 11.154 -0.417 16.551 1.00 0.00 O ATOM 373 N3 DT B 6 11.334 -1.667 14.751 1.00 0.00 N ATOM 374 C4 DT B 6 12.017 -2.387 13.831 1.00 0.00 C ATOM 375 O4 DT B 6 11.401 -2.935 12.922 1.00 0.00 O ATOM 376 C5 DT B 6 13.571 -2.488 14.003 1.00 0.00 C ATOM 377 C7 DT B 6 14.425 -3.304 13.048 1.00 0.00 C ATOM 378 C6 DT B 6 14.133 -1.821 15.042 1.00 0.00 C ATOM 0 H5' DT B 6 17.495 1.608 16.963 1.00 0.00 H new ATOM 0 H5'' DT B 6 17.853 1.084 18.597 1.00 0.00 H new ATOM 0 H4' DT B 6 15.578 1.534 18.390 1.00 0.00 H new ATOM 0 H3' DT B 6 16.215 -1.348 18.897 1.00 0.00 H new ATOM 0 H2' DT B 6 14.073 -2.080 18.203 1.00 0.00 H new ATOM 0 H2'' DT B 6 13.312 -0.781 19.100 1.00 0.00 H new ATOM 0 HO3' DT B 6 15.118 -0.870 20.812 1.00 0.00 H new ATOM 0 H1' DT B 6 13.153 0.575 17.206 1.00 0.00 H new ATOM 0 H3 DT B 6 10.320 -1.610 14.655 1.00 0.00 H new ATOM 0 H71 DT B 6 15.418 -2.860 12.978 1.00 0.00 H new ATOM 0 H72 DT B 6 14.510 -4.326 13.418 1.00 0.00 H new ATOM 0 H73 DT B 6 13.961 -3.312 12.062 1.00 0.00 H new ATOM 0 H6 DT B 6 15.203 -1.851 15.188 1.00 0.00 H new TER 392 DT B 6 ATOM 393 O5' DT E 1 20.162 5.806 0.488 1.00 0.00 O ATOM 394 C5' DT E 1 19.181 6.757 0.071 1.00 0.00 C ATOM 395 C4' DT E 1 19.290 8.068 0.877 1.00 0.00 C ATOM 396 O4' DT E 1 18.555 9.126 0.203 1.00 0.00 O ATOM 397 C3' DT E 1 18.722 8.004 2.300 1.00 0.00 C ATOM 398 O3' DT E 1 19.710 7.686 3.289 1.00 0.00 O ATOM 399 C2' DT E 1 18.286 9.437 2.522 1.00 0.00 C ATOM 400 C1' DT E 1 17.791 9.914 1.157 1.00 0.00 C ATOM 401 N1 DT E 1 16.310 9.833 0.945 1.00 0.00 N ATOM 402 C2 DT E 1 15.449 10.532 1.785 1.00 0.00 C ATOM 403 O2 DT E 1 15.853 11.276 2.674 1.00 0.00 O ATOM 404 N3 DT E 1 14.107 10.462 1.617 1.00 0.00 N ATOM 405 C4 DT E 1 13.498 9.806 0.613 1.00 0.00 C ATOM 406 O4 DT E 1 12.281 9.919 0.501 1.00 0.00 O ATOM 407 C5 DT E 1 14.396 9.022 -0.394 1.00 0.00 C ATOM 408 C7 DT E 1 13.791 8.242 -1.542 1.00 0.00 C ATOM 409 C6 DT E 1 15.739 9.034 -0.175 1.00 0.00 C ATOM 0 H5' DT E 1 18.185 6.333 0.196 1.00 0.00 H new ATOM 0 H5'' DT E 1 19.306 6.969 -0.991 1.00 0.00 H new ATOM 0 H4' DT E 1 20.362 8.254 0.943 1.00 0.00 H new ATOM 0 H3' DT E 1 17.951 7.239 2.391 1.00 0.00 H new ATOM 0 H2' DT E 1 17.497 9.498 3.272 1.00 0.00 H new ATOM 0 H2'' DT E 1 19.113 10.051 2.879 1.00 0.00 H new ATOM 0 HO5' DT E 1 20.067 4.985 -0.039 1.00 0.00 H new ATOM 0 H1' DT E 1 17.955 10.986 1.044 1.00 0.00 H new ATOM 0 H3 DT E 1 13.517 10.940 2.299 1.00 0.00 H new ATOM 0 H71 DT E 1 14.489 8.227 -2.379 1.00 0.00 H new ATOM 0 H72 DT E 1 13.587 7.221 -1.221 1.00 0.00 H new ATOM 0 H73 DT E 1 12.861 8.717 -1.854 1.00 0.00 H new ATOM 0 H6 DT E 1 16.394 8.462 -0.816 1.00 0.00 H new ATOM 423 P DG E 2 19.308 6.947 4.680 1.00 0.00 P ATOM 424 OP1 DG E 2 20.018 5.601 4.689 1.00 0.00 O ATOM 425 OP2 DG E 2 17.789 6.816 4.735 1.00 0.00 O ATOM 426 O5' DG E 2 19.817 7.872 5.918 1.00 0.00 O ATOM 427 C5' DG E 2 19.669 9.307 5.970 1.00 0.00 C ATOM 428 C4' DG E 2 18.837 9.859 7.156 1.00 0.00 C ATOM 429 O4' DG E 2 17.762 10.725 6.695 1.00 0.00 O ATOM 430 C3' DG E 2 18.229 8.852 8.139 1.00 0.00 C ATOM 431 O3' DG E 2 19.132 8.652 9.237 1.00 0.00 O ATOM 432 C2' DG E 2 16.984 9.573 8.630 1.00 0.00 C ATOM 433 C1' DG E 2 16.578 10.514 7.499 1.00 0.00 C ATOM 434 N9 DG E 2 15.442 9.989 6.684 1.00 0.00 N ATOM 435 C8 DG E 2 15.438 9.094 5.619 1.00 0.00 C ATOM 436 N7 DG E 2 14.266 8.676 5.034 1.00 0.00 N ATOM 437 C5 DG E 2 13.400 9.333 5.882 1.00 0.00 C ATOM 438 C6 DG E 2 11.852 9.370 5.803 1.00 0.00 C ATOM 439 O6 DG E 2 11.205 8.746 4.972 1.00 0.00 O ATOM 440 N1 DG E 2 11.235 10.193 6.685 1.00 0.00 N ATOM 441 C2 DG E 2 11.967 11.012 7.624 1.00 0.00 C ATOM 442 N2 DG E 2 11.285 11.882 8.420 1.00 0.00 N ATOM 443 N3 DG E 2 13.255 10.998 7.693 1.00 0.00 N ATOM 444 C4 DG E 2 14.066 10.145 6.855 1.00 0.00 C ATOM 0 H5' DG E 2 19.206 9.639 5.041 1.00 0.00 H new ATOM 0 H5'' DG E 2 20.662 9.754 6.009 1.00 0.00 H new ATOM 0 H4' DG E 2 19.602 10.393 7.719 1.00 0.00 H new ATOM 0 H3' DG E 2 18.026 7.876 7.699 1.00 0.00 H new ATOM 0 H2' DG E 2 16.186 8.866 8.856 1.00 0.00 H new ATOM 0 H2'' DG E 2 17.188 10.127 9.546 1.00 0.00 H new ATOM 0 H1' DG E 2 16.208 11.453 7.911 1.00 0.00 H new ATOM 0 H8 DG E 2 16.378 8.718 5.243 1.00 0.00 H new ATOM 0 H1 DG E 2 10.216 10.236 6.686 1.00 0.00 H new ATOM 0 H21 DG E 2 11.790 12.466 9.087 1.00 0.00 H new ATOM 0 H22 DG E 2 10.270 11.950 8.349 1.00 0.00 H new ATOM 456 P DG E 3 19.042 7.357 10.211 1.00 0.00 P ATOM 457 OP1 DG E 3 20.477 6.964 10.572 1.00 0.00 O ATOM 458 OP2 DG E 3 18.277 6.232 9.539 1.00 0.00 O ATOM 459 O5' DG E 3 18.269 7.776 11.554 1.00 0.00 O ATOM 460 C5' DG E 3 18.350 9.050 12.211 1.00 0.00 C ATOM 461 C4' DG E 3 17.013 9.342 12.925 1.00 0.00 C ATOM 462 O4' DG E 3 15.975 9.549 11.930 1.00 0.00 O ATOM 463 C3' DG E 3 16.548 8.194 13.846 1.00 0.00 C ATOM 464 O3' DG E 3 15.968 8.697 15.064 1.00 0.00 O ATOM 465 C2' DG E 3 15.460 7.551 13.003 1.00 0.00 C ATOM 466 C1' DG E 3 14.834 8.756 12.299 1.00 0.00 C ATOM 467 N9 DG E 3 14.006 8.376 11.116 1.00 0.00 N ATOM 468 C8 DG E 3 14.290 7.490 10.082 1.00 0.00 C ATOM 469 N7 DG E 3 13.326 7.080 9.198 1.00 0.00 N ATOM 470 C5 DG E 3 12.274 7.764 9.759 1.00 0.00 C ATOM 471 C6 DG E 3 10.790 7.688 9.338 1.00 0.00 C ATOM 472 O6 DG E 3 10.393 6.995 8.410 1.00 0.00 O ATOM 473 N1 DG E 3 9.934 8.459 10.050 1.00 0.00 N ATOM 474 C2 DG E 3 10.373 9.305 11.139 1.00 0.00 C ATOM 475 N2 DG E 3 9.455 10.087 11.784 1.00 0.00 N ATOM 476 N3 DG E 3 11.603 9.354 11.517 1.00 0.00 N ATOM 477 C4 DG E 3 12.645 8.577 10.877 1.00 0.00 C ATOM 0 H5' DG E 3 18.566 9.833 11.485 1.00 0.00 H new ATOM 0 H5'' DG E 3 19.168 9.049 12.932 1.00 0.00 H new ATOM 0 H4' DG E 3 17.180 10.226 13.541 1.00 0.00 H new ATOM 0 H3' DG E 3 17.358 7.530 14.149 1.00 0.00 H new ATOM 0 H2' DG E 3 15.868 6.832 12.292 1.00 0.00 H new ATOM 0 H2'' DG E 3 14.734 7.016 13.616 1.00 0.00 H new ATOM 0 H1' DG E 3 14.130 9.289 12.938 1.00 0.00 H new ATOM 0 H8 DG E 3 15.297 7.115 9.973 1.00 0.00 H new ATOM 0 H1 DG E 3 8.943 8.443 9.810 1.00 0.00 H new ATOM 0 H21 DG E 3 9.749 10.689 12.554 1.00 0.00 H new ATOM 0 H22 DG E 3 8.477 10.068 11.496 1.00 0.00 H new ATOM 489 P DG E 4 16.064 7.853 16.436 1.00 0.00 P ATOM 490 OP1 DG E 4 17.398 8.195 17.115 1.00 0.00 O ATOM 491 OP2 DG E 4 15.984 6.357 16.156 1.00 0.00 O ATOM 492 O5' DG E 4 14.858 8.248 17.417 1.00 0.00 O ATOM 493 C5' DG E 4 14.380 9.582 17.675 1.00 0.00 C ATOM 494 C4' DG E 4 12.860 9.554 17.969 1.00 0.00 C ATOM 495 O4' DG E 4 12.157 9.421 16.711 1.00 0.00 O ATOM 496 C3' DG E 4 12.410 8.388 18.881 1.00 0.00 C ATOM 497 O3' DG E 4 11.428 8.794 19.859 1.00 0.00 O ATOM 498 C2' DG E 4 11.792 7.425 17.877 1.00 0.00 C ATOM 499 C1' DG E 4 11.224 8.341 16.791 1.00 0.00 C ATOM 500 N9 DG E 4 11.107 7.661 15.468 1.00 0.00 N ATOM 501 C8 DG E 4 12.090 7.039 14.709 1.00 0.00 C ATOM 502 N7 DG E 4 11.784 6.298 13.594 1.00 0.00 N ATOM 503 C5 DG E 4 10.420 6.512 13.619 1.00 0.00 C ATOM 504 C6 DG E 4 9.363 5.942 12.641 1.00 0.00 C ATOM 505 O6 DG E 4 9.644 5.201 11.706 1.00 0.00 O ATOM 506 N1 DG E 4 8.080 6.308 12.880 1.00 0.00 N ATOM 507 C2 DG E 4 7.711 7.177 13.978 1.00 0.00 C ATOM 508 N2 DG E 4 6.400 7.506 14.153 1.00 0.00 N ATOM 509 N3 DG E 4 8.578 7.644 14.807 1.00 0.00 N ATOM 510 C4 DG E 4 9.988 7.345 14.704 1.00 0.00 C ATOM 0 H5' DG E 4 14.580 10.221 16.815 1.00 0.00 H new ATOM 0 H5'' DG E 4 14.915 10.011 18.523 1.00 0.00 H new ATOM 0 H4' DG E 4 12.630 10.481 18.495 1.00 0.00 H new ATOM 0 H3' DG E 4 13.229 7.974 19.470 1.00 0.00 H new ATOM 0 H2' DG E 4 12.535 6.738 17.472 1.00 0.00 H new ATOM 0 H2'' DG E 4 11.012 6.817 18.335 1.00 0.00 H new ATOM 0 H1' DG E 4 10.212 8.661 17.040 1.00 0.00 H new ATOM 0 H8 DG E 4 13.124 7.141 15.004 1.00 0.00 H new ATOM 0 H1 DG E 4 7.347 5.958 12.263 1.00 0.00 H new ATOM 0 H21 DG E 4 6.126 8.117 14.922 1.00 0.00 H new ATOM 0 H22 DG E 4 5.693 7.141 13.515 1.00 0.00 H new ATOM 522 P DG E 5 11.079 7.889 21.164 1.00 0.00 P ATOM 523 OP1 DG E 5 11.260 8.746 22.426 1.00 0.00 O ATOM 524 OP2 DG E 5 12.016 6.685 21.274 1.00 0.00 O ATOM 525 O5' DG E 5 9.557 7.353 21.094 1.00 0.00 O ATOM 526 C5' DG E 5 8.400 8.142 20.732 1.00 0.00 C ATOM 527 C4' DG E 5 7.280 7.247 20.140 1.00 0.00 C ATOM 528 O4' DG E 5 7.592 6.949 18.748 1.00 0.00 O ATOM 529 C3' DG E 5 7.069 5.888 20.871 1.00 0.00 C ATOM 530 O3' DG E 5 5.667 5.555 21.064 1.00 0.00 O ATOM 531 C2' DG E 5 7.703 4.928 19.867 1.00 0.00 C ATOM 532 C1' DG E 5 7.288 5.567 18.546 1.00 0.00 C ATOM 533 N9 DG E 5 7.958 4.965 17.356 1.00 0.00 N ATOM 534 C8 DG E 5 9.288 4.653 17.095 1.00 0.00 C ATOM 535 N7 DG E 5 9.653 3.872 16.021 1.00 0.00 N ATOM 536 C5 DG E 5 8.381 3.693 15.505 1.00 0.00 C ATOM 537 C6 DG E 5 7.967 2.865 14.259 1.00 0.00 C ATOM 538 O6 DG E 5 8.762 2.223 13.584 1.00 0.00 O ATOM 539 N1 DG E 5 6.643 2.863 13.963 1.00 0.00 N ATOM 540 C2 DG E 5 5.672 3.574 14.763 1.00 0.00 C ATOM 541 N2 DG E 5 4.355 3.551 14.414 1.00 0.00 N ATOM 542 N3 DG E 5 5.998 4.232 15.816 1.00 0.00 N ATOM 543 C4 DG E 5 7.362 4.350 16.266 1.00 0.00 C ATOM 0 H5' DG E 5 8.686 8.901 20.004 1.00 0.00 H new ATOM 0 H5'' DG E 5 8.025 8.668 21.610 1.00 0.00 H new ATOM 0 H4' DG E 5 6.361 7.821 20.260 1.00 0.00 H new ATOM 0 H3' DG E 5 7.488 5.873 21.877 1.00 0.00 H new ATOM 0 H2' DG E 5 8.786 4.874 19.976 1.00 0.00 H new ATOM 0 H2'' DG E 5 7.321 3.912 19.971 1.00 0.00 H new ATOM 0 H1' DG E 5 6.237 5.404 18.309 1.00 0.00 H new ATOM 0 H8 DG E 5 10.056 5.034 17.753 1.00 0.00 H new ATOM 0 H1 DG E 5 6.322 2.341 13.147 1.00 0.00 H new ATOM 0 H21 DG E 5 3.669 4.053 14.978 1.00 0.00 H new ATOM 0 H22 DG E 5 4.055 3.032 13.589 1.00 0.00 H new ATOM 555 P DT E 6 5.167 4.258 21.917 1.00 0.00 P ATOM 556 OP1 DT E 6 4.146 4.712 22.972 1.00 0.00 O ATOM 557 OP2 DT E 6 6.329 3.586 22.652 1.00 0.00 O ATOM 558 O5' DT E 6 4.455 3.168 20.945 1.00 0.00 O ATOM 559 C5' DT E 6 3.146 3.391 20.375 1.00 0.00 C ATOM 560 C4' DT E 6 2.766 2.368 19.285 1.00 0.00 C ATOM 561 O4' DT E 6 3.691 2.410 18.190 1.00 0.00 O ATOM 562 C3' DT E 6 2.734 0.896 19.709 1.00 0.00 C ATOM 563 O3' DT E 6 1.503 0.539 20.332 1.00 0.00 O ATOM 564 C2' DT E 6 2.884 0.171 18.372 1.00 0.00 C ATOM 565 C1' DT E 6 3.580 1.185 17.439 1.00 0.00 C ATOM 566 N1 DT E 6 4.902 0.702 16.952 1.00 0.00 N ATOM 567 C2 DT E 6 4.982 0.034 15.743 1.00 0.00 C ATOM 568 O2 DT E 6 3.989 -0.182 15.055 1.00 0.00 O ATOM 569 N3 DT E 6 6.161 -0.438 15.283 1.00 0.00 N ATOM 570 C4 DT E 6 7.336 -0.332 15.945 1.00 0.00 C ATOM 571 O4 DT E 6 8.339 -0.866 15.476 1.00 0.00 O ATOM 572 C5 DT E 6 7.323 0.425 17.316 1.00 0.00 C ATOM 573 C7 DT E 6 8.602 0.613 18.110 1.00 0.00 C ATOM 574 C6 DT E 6 6.137 0.918 17.754 1.00 0.00 C ATOM 0 H5' DT E 6 3.110 4.394 19.949 1.00 0.00 H new ATOM 0 H5'' DT E 6 2.402 3.356 21.170 1.00 0.00 H new ATOM 0 H4' DT E 6 1.753 2.680 19.029 1.00 0.00 H new ATOM 0 H3' DT E 6 3.501 0.653 20.445 1.00 0.00 H new ATOM 0 H2' DT E 6 3.478 -0.737 18.480 1.00 0.00 H new ATOM 0 H2'' DT E 6 1.914 -0.128 17.975 1.00 0.00 H new ATOM 0 HO3' DT E 6 1.526 -0.408 20.584 1.00 0.00 H new ATOM 0 H1' DT E 6 2.996 1.334 16.531 1.00 0.00 H new ATOM 0 H3 DT E 6 6.166 -0.905 14.376 1.00 0.00 H new ATOM 0 H71 DT E 6 9.277 -0.220 17.915 1.00 0.00 H new ATOM 0 H72 DT E 6 9.081 1.546 17.812 1.00 0.00 H new ATOM 0 H73 DT E 6 8.368 0.649 19.174 1.00 0.00 H new ATOM 0 H6 DT E 6 6.089 1.466 18.683 1.00 0.00 H new TER 588 DT E 6 ATOM 589 O5' DT F 1 -0.654 15.209 5.049 1.00 0.00 O ATOM 590 C5' DT F 1 -0.244 13.850 5.209 1.00 0.00 C ATOM 591 C4' DT F 1 -0.318 13.105 3.863 1.00 0.00 C ATOM 592 O4' DT F 1 0.586 13.689 2.888 1.00 0.00 O ATOM 593 C3' DT F 1 0.057 11.625 3.959 1.00 0.00 C ATOM 594 O3' DT F 1 -1.082 10.785 4.183 1.00 0.00 O ATOM 595 C2' DT F 1 0.596 11.359 2.570 1.00 0.00 C ATOM 596 C1' DT F 1 1.340 12.647 2.211 1.00 0.00 C ATOM 597 N1 DT F 1 2.802 12.663 2.547 1.00 0.00 N ATOM 598 C2 DT F 1 3.659 11.749 1.944 1.00 0.00 C ATOM 599 O2 DT F 1 3.274 10.936 1.109 1.00 0.00 O ATOM 600 N3 DT F 1 4.987 11.759 2.218 1.00 0.00 N ATOM 601 C4 DT F 1 5.594 12.664 3.008 1.00 0.00 C ATOM 602 O4 DT F 1 6.819 12.634 3.095 1.00 0.00 O ATOM 603 C5 DT F 1 4.705 13.743 3.697 1.00 0.00 C ATOM 604 C7 DT F 1 5.323 14.809 4.580 1.00 0.00 C ATOM 605 C6 DT F 1 3.363 13.682 3.478 1.00 0.00 C ATOM 0 H5' DT F 1 -0.882 13.355 5.941 1.00 0.00 H new ATOM 0 H5'' DT F 1 0.774 13.814 5.596 1.00 0.00 H new ATOM 0 H4' DT F 1 -1.361 13.198 3.561 1.00 0.00 H new ATOM 0 H3' DT F 1 0.741 11.420 4.783 1.00 0.00 H new ATOM 0 H2' DT F 1 1.262 10.496 2.558 1.00 0.00 H new ATOM 0 H2'' DT F 1 -0.207 11.151 1.863 1.00 0.00 H new ATOM 0 HO5' DT F 1 -0.603 15.670 5.912 1.00 0.00 H new ATOM 0 H1' DT F 1 1.376 12.781 1.130 1.00 0.00 H new ATOM 0 H3 DT F 1 5.565 11.032 1.797 1.00 0.00 H new ATOM 0 H71 DT F 1 4.720 15.716 4.532 1.00 0.00 H new ATOM 0 H72 DT F 1 5.361 14.452 5.609 1.00 0.00 H new ATOM 0 H73 DT F 1 6.333 15.027 4.234 1.00 0.00 H new ATOM 0 H6 DT F 1 2.703 14.374 3.980 1.00 0.00 H new ATOM 619 P DG F 2 -0.954 9.382 4.994 1.00 0.00 P ATOM 620 OP1 DG F 2 -1.888 9.477 6.194 1.00 0.00 O ATOM 621 OP2 DG F 2 0.496 9.175 5.409 1.00 0.00 O ATOM 622 O5' DG F 2 -1.420 8.159 4.039 1.00 0.00 O ATOM 623 C5' DG F 2 -1.409 8.163 2.597 1.00 0.00 C ATOM 624 C4' DG F 2 -0.550 7.049 1.947 1.00 0.00 C ATOM 625 O4' DG F 2 0.694 7.554 1.408 1.00 0.00 O ATOM 626 C3' DG F 2 -0.231 5.808 2.792 1.00 0.00 C ATOM 627 O3' DG F 2 -1.306 4.859 2.609 1.00 0.00 O ATOM 628 C2' DG F 2 1.094 5.333 2.194 1.00 0.00 C ATOM 629 C1' DG F 2 1.729 6.552 1.524 1.00 0.00 C ATOM 630 N9 DG F 2 2.899 7.085 2.276 1.00 0.00 N ATOM 631 C8 DG F 2 2.940 8.056 3.270 1.00 0.00 C ATOM 632 N7 DG F 2 4.125 8.469 3.823 1.00 0.00 N ATOM 633 C5 DG F 2 4.953 7.608 3.140 1.00 0.00 C ATOM 634 C6 DG F 2 6.499 7.552 3.200 1.00 0.00 C ATOM 635 O6 DG F 2 7.174 8.289 3.907 1.00 0.00 O ATOM 636 N1 DG F 2 7.091 6.665 2.367 1.00 0.00 N ATOM 637 C2 DG F 2 6.339 5.841 1.454 1.00 0.00 C ATOM 638 N2 DG F 2 7.012 5.010 0.610 1.00 0.00 N ATOM 639 N3 DG F 2 5.053 5.903 1.365 1.00 0.00 N ATOM 640 C4 DG F 2 4.259 6.771 2.208 1.00 0.00 C ATOM 0 H5' DG F 2 -1.043 9.131 2.254 1.00 0.00 H new ATOM 0 H5'' DG F 2 -2.434 8.065 2.240 1.00 0.00 H new ATOM 0 H4' DG F 2 -1.225 6.708 1.162 1.00 0.00 H new ATOM 0 H3' DG F 2 -0.145 5.968 3.867 1.00 0.00 H new ATOM 0 H2' DG F 2 1.748 4.932 2.969 1.00 0.00 H new ATOM 0 H2'' DG F 2 0.929 4.534 1.471 1.00 0.00 H new ATOM 0 H1' DG F 2 2.120 6.265 0.548 1.00 0.00 H new ATOM 0 H8 DG F 2 2.016 8.496 3.615 1.00 0.00 H new ATOM 0 H1 DG F 2 8.107 6.576 2.386 1.00 0.00 H new ATOM 0 H21 DG F 2 6.497 4.420 -0.043 1.00 0.00 H new ATOM 0 H22 DG F 2 8.031 4.978 0.631 1.00 0.00 H new ATOM 652 P DG F 3 -1.230 3.301 3.019 1.00 0.00 P ATOM 653 OP1 DG F 3 -2.659 2.769 3.142 1.00 0.00 O ATOM 654 OP2 DG F 3 -0.429 3.115 4.294 1.00 0.00 O ATOM 655 O5' DG F 3 -0.545 2.531 1.758 1.00 0.00 O ATOM 656 C5' DG F 3 -0.305 1.105 1.724 1.00 0.00 C ATOM 657 C4' DG F 3 1.027 0.660 2.379 1.00 0.00 C ATOM 658 O4' DG F 3 2.033 1.694 2.438 1.00 0.00 O ATOM 659 C3' DG F 3 0.858 0.146 3.814 1.00 0.00 C ATOM 660 O3' DG F 3 0.557 -1.273 3.844 1.00 0.00 O ATOM 661 C2' DG F 3 2.134 0.599 4.524 1.00 0.00 C ATOM 662 C1' DG F 3 2.988 1.269 3.429 1.00 0.00 C ATOM 663 N9 DG F 3 3.801 2.425 3.929 1.00 0.00 N ATOM 664 C8 DG F 3 3.447 3.447 4.808 1.00 0.00 C ATOM 665 N7 DG F 3 4.386 4.281 5.366 1.00 0.00 N ATOM 666 C5 DG F 3 5.492 3.724 4.759 1.00 0.00 C ATOM 667 C6 DG F 3 6.972 4.139 4.951 1.00 0.00 C ATOM 668 O6 DG F 3 7.325 5.037 5.705 1.00 0.00 O ATOM 669 N1 DG F 3 7.879 3.465 4.203 1.00 0.00 N ATOM 670 C2 DG F 3 7.494 2.429 3.267 1.00 0.00 C ATOM 671 N2 DG F 3 8.457 1.826 2.504 1.00 0.00 N ATOM 672 N3 DG F 3 6.271 2.064 3.114 1.00 0.00 N ATOM 673 C4 DG F 3 5.177 2.655 3.856 1.00 0.00 C ATOM 0 H5' DG F 3 -0.313 0.773 0.686 1.00 0.00 H new ATOM 0 H5'' DG F 3 -1.129 0.599 2.227 1.00 0.00 H new ATOM 0 H4' DG F 3 1.354 -0.140 1.715 1.00 0.00 H new ATOM 0 H3' DG F 3 -0.005 0.552 4.342 1.00 0.00 H new ATOM 0 H2' DG F 3 1.910 1.297 5.331 1.00 0.00 H new ATOM 0 H2'' DG F 3 2.658 -0.246 4.970 1.00 0.00 H new ATOM 0 H1' DG F 3 3.731 0.574 3.037 1.00 0.00 H new ATOM 0 H8 DG F 3 2.406 3.587 5.058 1.00 0.00 H new ATOM 0 H1 DG F 3 8.868 3.695 4.303 1.00 0.00 H new ATOM 0 H21 DG F 3 8.199 1.095 1.841 1.00 0.00 H new ATOM 0 H22 DG F 3 9.433 2.108 2.598 1.00 0.00 H new ATOM 685 P DG F 4 1.585 -2.517 3.703 1.00 0.00 P ATOM 686 OP1 DG F 4 0.751 -3.774 3.423 1.00 0.00 O ATOM 687 OP2 DG F 4 2.384 -2.674 4.991 1.00 0.00 O ATOM 688 O5' DG F 4 2.574 -2.280 2.435 1.00 0.00 O ATOM 689 C5' DG F 4 3.381 -3.321 1.830 1.00 0.00 C ATOM 690 C4' DG F 4 4.796 -3.470 2.432 1.00 0.00 C ATOM 691 O4' DG F 4 5.380 -2.204 2.806 1.00 0.00 O ATOM 692 C3' DG F 4 4.875 -4.391 3.657 1.00 0.00 C ATOM 693 O3' DG F 4 5.164 -5.747 3.246 1.00 0.00 O ATOM 694 C2' DG F 4 5.993 -3.762 4.485 1.00 0.00 C ATOM 695 C1' DG F 4 6.409 -2.467 3.770 1.00 0.00 C ATOM 696 N9 DG F 4 6.547 -1.328 4.724 1.00 0.00 N ATOM 697 C8 DG F 4 5.565 -0.687 5.464 1.00 0.00 C ATOM 698 N7 DG F 4 5.868 0.258 6.417 1.00 0.00 N ATOM 699 C5 DG F 4 7.239 0.203 6.271 1.00 0.00 C ATOM 700 C6 DG F 4 8.302 0.975 7.090 1.00 0.00 C ATOM 701 O6 DG F 4 8.017 1.771 7.976 1.00 0.00 O ATOM 702 N1 DG F 4 9.596 0.711 6.777 1.00 0.00 N ATOM 703 C2 DG F 4 9.966 -0.229 5.738 1.00 0.00 C ATOM 704 N2 DG F 4 11.282 -0.440 5.451 1.00 0.00 N ATOM 705 N3 DG F 4 9.094 -0.884 5.059 1.00 0.00 N ATOM 706 C4 DG F 4 7.674 -0.730 5.269 1.00 0.00 C ATOM 0 H5' DG F 4 3.474 -3.117 0.763 1.00 0.00 H new ATOM 0 H5'' DG F 4 2.857 -4.272 1.928 1.00 0.00 H new ATOM 0 H4' DG F 4 5.358 -3.926 1.617 1.00 0.00 H new ATOM 0 H3' DG F 4 3.948 -4.469 4.225 1.00 0.00 H new ATOM 0 H2' DG F 4 5.650 -3.550 5.498 1.00 0.00 H new ATOM 0 H2'' DG F 4 6.839 -4.444 4.571 1.00 0.00 H new ATOM 0 H1' DG F 4 7.385 -2.580 3.299 1.00 0.00 H new ATOM 0 H8 DG F 4 4.530 -0.937 5.287 1.00 0.00 H new ATOM 0 H1 DG F 4 10.334 1.191 7.291 1.00 0.00 H new ATOM 0 H21 DG F 4 11.545 -1.101 4.720 1.00 0.00 H new ATOM 0 H22 DG F 4 12.004 0.063 5.967 1.00 0.00 H new ATOM 718 P DG F 5 5.182 -7.026 4.246 1.00 0.00 P ATOM 719 OP1 DG F 5 4.623 -8.252 3.507 1.00 0.00 O ATOM 720 OP2 DG F 5 4.350 -6.797 5.504 1.00 0.00 O ATOM 721 O5' DG F 5 6.699 -7.342 4.691 1.00 0.00 O ATOM 722 C5' DG F 5 7.862 -7.178 3.845 1.00 0.00 C ATOM 723 C4' DG F 5 9.117 -6.890 4.701 1.00 0.00 C ATOM 724 O4' DG F 5 9.053 -5.518 5.187 1.00 0.00 O ATOM 725 C3' DG F 5 9.265 -7.817 5.937 1.00 0.00 C ATOM 726 O3' DG F 5 10.643 -8.165 6.219 1.00 0.00 O ATOM 727 C2' DG F 5 8.789 -6.889 7.055 1.00 0.00 C ATOM 728 C1' DG F 5 9.335 -5.543 6.588 1.00 0.00 C ATOM 729 N9 DG F 5 8.795 -4.367 7.332 1.00 0.00 N ATOM 730 C8 DG F 5 7.492 -3.973 7.620 1.00 0.00 C ATOM 731 N7 DG F 5 7.230 -2.925 8.474 1.00 0.00 N ATOM 732 C5 DG F 5 8.542 -2.596 8.758 1.00 0.00 C ATOM 733 C6 DG F 5 9.056 -1.573 9.808 1.00 0.00 C ATOM 734 O6 DG F 5 8.316 -0.882 10.498 1.00 0.00 O ATOM 735 N1 DG F 5 10.402 -1.508 9.963 1.00 0.00 N ATOM 736 C2 DG F 5 11.307 -2.359 9.225 1.00 0.00 C ATOM 737 N2 DG F 5 12.653 -2.279 9.445 1.00 0.00 N ATOM 738 N3 DG F 5 10.894 -3.232 8.377 1.00 0.00 N ATOM 739 C4 DG F 5 9.493 -3.428 8.083 1.00 0.00 C ATOM 0 H5' DG F 5 7.697 -6.360 3.144 1.00 0.00 H new ATOM 0 H5'' DG F 5 8.018 -8.079 3.252 1.00 0.00 H new ATOM 0 H4' DG F 5 9.974 -7.068 4.051 1.00 0.00 H new ATOM 0 H3' DG F 5 8.733 -8.760 5.810 1.00 0.00 H new ATOM 0 H2' DG F 5 7.703 -6.881 7.147 1.00 0.00 H new ATOM 0 H2'' DG F 5 9.189 -7.179 8.027 1.00 0.00 H new ATOM 0 H1' DG F 5 10.402 -5.454 6.792 1.00 0.00 H new ATOM 0 H8 DG F 5 6.668 -4.501 7.164 1.00 0.00 H new ATOM 0 H1 DG F 5 10.789 -0.834 10.624 1.00 0.00 H new ATOM 0 H21 DG F 5 13.292 -2.880 8.924 1.00 0.00 H new ATOM 0 H22 DG F 5 13.019 -1.618 10.130 1.00 0.00 H new ATOM 751 P DT F 6 11.404 -9.503 5.720 1.00 0.00 P ATOM 752 OP1 DT F 6 12.113 -9.290 4.384 1.00 0.00 O ATOM 753 OP2 DT F 6 10.427 -10.677 5.562 1.00 0.00 O ATOM 754 O5' DT F 6 12.507 -9.947 6.835 1.00 0.00 O ATOM 755 C5' DT F 6 12.134 -10.630 8.052 1.00 0.00 C ATOM 756 C4' DT F 6 12.449 -9.792 9.304 1.00 0.00 C ATOM 757 O4' DT F 6 11.676 -8.587 9.318 1.00 0.00 O ATOM 758 C3' DT F 6 12.054 -10.466 10.629 1.00 0.00 C ATOM 759 O3' DT F 6 13.064 -11.330 11.139 1.00 0.00 O ATOM 760 C2' DT F 6 11.806 -9.290 11.575 1.00 0.00 C ATOM 761 C1' DT F 6 11.722 -8.061 10.650 1.00 0.00 C ATOM 762 N1 DT F 6 10.561 -7.161 10.890 1.00 0.00 N ATOM 763 C2 DT F 6 10.770 -5.819 11.162 1.00 0.00 C ATOM 764 O2 DT F 6 11.897 -5.339 11.256 1.00 0.00 O ATOM 765 N3 DT F 6 9.727 -4.980 11.356 1.00 0.00 N ATOM 766 C4 DT F 6 8.426 -5.344 11.283 1.00 0.00 C ATOM 767 O4 DT F 6 7.547 -4.518 11.515 1.00 0.00 O ATOM 768 C5 DT F 6 8.116 -6.834 10.931 1.00 0.00 C ATOM 769 C7 DT F 6 6.688 -7.330 10.831 1.00 0.00 C ATOM 770 C6 DT F 6 9.169 -7.670 10.746 1.00 0.00 C ATOM 0 H5' DT F 6 12.663 -11.581 8.110 1.00 0.00 H new ATOM 0 H5'' DT F 6 11.068 -10.858 8.027 1.00 0.00 H new ATOM 0 H4' DT F 6 13.527 -9.640 9.242 1.00 0.00 H new ATOM 0 H3' DT F 6 11.186 -11.114 10.505 1.00 0.00 H new ATOM 0 H2' DT F 6 10.884 -9.424 12.141 1.00 0.00 H new ATOM 0 H2'' DT F 6 12.614 -9.187 12.300 1.00 0.00 H new ATOM 0 HO3' DT F 6 12.759 -11.728 11.981 1.00 0.00 H new ATOM 0 H1' DT F 6 12.585 -7.423 10.841 1.00 0.00 H new ATOM 0 H3 DT F 6 9.936 -4.005 11.572 1.00 0.00 H new ATOM 0 H71 DT F 6 6.055 -6.753 11.505 1.00 0.00 H new ATOM 0 H72 DT F 6 6.332 -7.210 9.808 1.00 0.00 H new ATOM 0 H73 DT F 6 6.648 -8.383 11.108 1.00 0.00 H new ATOM 0 H6 DT F 6 8.997 -8.706 10.494 1.00 0.00 H new TER 784 DT F 6 HETATM 785 C1 DMY A 7 15.749 14.181 6.791 1.00 0.00 C HETATM 786 O1 DMY A 7 16.268 15.282 6.585 1.00 0.00 O HETATM 787 N1 DMY A 7 14.891 13.868 7.882 1.00 0.00 N HETATM 788 C2 DMY A 7 14.434 14.721 8.904 1.00 0.00 C HETATM 789 C3 DMY A 7 13.565 14.332 9.898 1.00 0.00 C HETATM 790 C4 DMY A 7 13.486 15.384 10.817 1.00 0.00 C HETATM 791 N2 DMY A 7 14.278 16.473 10.379 1.00 0.00 N HETATM 792 C5 DMY A 7 14.830 16.024 9.179 1.00 0.00 C HETATM 793 C6 DMY A 7 14.440 17.811 11.002 1.00 0.00 C HETATM 794 C7 DMY A 7 12.762 15.363 12.185 1.00 0.00 C HETATM 795 O2 DMY A 7 13.243 16.072 13.083 1.00 0.00 O HETATM 796 N3 DMY A 7 11.559 14.585 12.349 1.00 0.00 N HETATM 797 C8 DMY A 7 10.636 14.710 13.423 1.00 0.00 C HETATM 798 C9 DMY A 7 9.529 13.904 13.655 1.00 0.00 C HETATM 799 C10 DMY A 7 8.741 14.546 14.642 1.00 0.00 C HETATM 800 N4 DMY A 7 9.347 15.773 15.010 1.00 0.00 N HETATM 801 C11 DMY A 7 10.491 15.829 14.228 1.00 0.00 C HETATM 802 C12 DMY A 7 8.846 16.850 15.899 1.00 0.00 C HETATM 803 C13 DMY A 7 7.376 14.076 15.220 1.00 0.00 C HETATM 804 O3 DMY A 7 6.811 14.815 16.037 1.00 0.00 O HETATM 805 N5 DMY A 7 6.841 12.801 14.821 1.00 0.00 N HETATM 806 C14 DMY A 7 5.603 12.235 15.229 1.00 0.00 C HETATM 807 C15 DMY A 7 5.131 11.004 14.842 1.00 0.00 C HETATM 808 C16 DMY A 7 3.860 10.824 15.424 1.00 0.00 C HETATM 809 N6 DMY A 7 3.508 11.980 16.179 1.00 0.00 N HETATM 810 C17 DMY A 7 4.628 12.805 16.043 1.00 0.00 C HETATM 811 C18 DMY A 7 2.249 12.352 16.870 1.00 0.00 C HETATM 812 C19 DMY A 7 3.014 9.538 15.209 1.00 0.00 C HETATM 813 O4 DMY A 7 3.474 8.585 14.578 1.00 0.00 O HETATM 814 N7 DMY A 7 1.774 9.475 15.716 1.00 0.00 N HETATM 815 C20 DMY A 7 0.838 8.396 15.339 1.00 0.00 C HETATM 816 C21 DMY A 7 -0.352 8.300 16.313 1.00 0.00 C HETATM 817 C22 DMY A 7 -1.507 7.409 15.828 1.00 0.00 C HETATM 818 N8 DMY A 7 -2.727 7.902 15.754 1.00 0.00 N HETATM 819 N9 DMY A 7 -1.335 6.119 15.596 1.00 0.00 N HETATM 0 HN92 DMY A 7 -2.118 5.550 15.275 1.00 0.00 H new HETATM 0 HN91 DMY A 7 -0.419 5.693 15.738 1.00 0.00 H new HETATM 0 H212 DMY A 7 0.008 7.918 17.268 1.00 0.00 H new HETATM 0 H211 DMY A 7 -0.737 9.303 16.496 1.00 0.00 H new HETATM 0 H202 DMY A 7 0.467 8.574 14.330 1.00 0.00 H new HETATM 0 H201 DMY A 7 1.370 7.445 15.321 1.00 0.00 H new HETATM 0 H183 DMY A 7 1.436 12.398 16.145 1.00 0.00 H new HETATM 0 H182 DMY A 7 2.016 11.605 17.629 1.00 0.00 H new HETATM 0 H181 DMY A 7 2.368 13.326 17.344 1.00 0.00 H new HETATM 0 H123 DMY A 7 7.910 17.244 15.502 1.00 0.00 H new HETATM 0 H122 DMY A 7 8.675 16.448 16.898 1.00 0.00 H new HETATM 0 H121 DMY A 7 9.584 17.651 15.952 1.00 0.00 H new HETATM 0 HN8 DMY A 7 -3.365 7.182 15.416 1.00 0.00 H new HETATM 0 HN7 DMY A 7 1.470 10.189 16.378 1.00 0.00 H new HETATM 0 HN5 DMY A 7 7.408 12.247 14.180 1.00 0.00 H new HETATM 0 HN3 DMY A 7 11.353 13.887 11.635 1.00 0.00 H new HETATM 0 HN1 DMY A 7 14.566 12.902 7.930 1.00 0.00 H new HETATM 0 H9 DMY A 7 9.308 12.954 13.168 1.00 0.00 H new HETATM 0 H63 DMY A 7 13.472 18.309 11.052 1.00 0.00 H new HETATM 0 H62 DMY A 7 14.842 17.697 12.009 1.00 0.00 H new HETATM 0 H61 DMY A 7 15.126 18.410 10.403 1.00 0.00 H new HETATM 0 H5 DMY A 7 15.485 16.617 8.541 1.00 0.00 H new HETATM 0 H3 DMY A 7 13.036 13.381 9.958 1.00 0.00 H new HETATM 0 H17 DMY A 7 4.727 13.781 16.519 1.00 0.00 H new HETATM 0 H15 DMY A 7 5.648 10.292 14.199 1.00 0.00 H new HETATM 0 H11 DMY A 7 11.197 16.660 14.245 1.00 0.00 H new HETATM 0 H1 DMY A 7 15.966 13.384 6.079 1.00 0.00 H new HETATM 848 C1 DMY E 7 2.088 4.967 16.878 1.00 0.00 C HETATM 849 O1 DMY E 7 1.009 5.206 17.433 1.00 0.00 O HETATM 850 N1 DMY E 7 3.273 5.746 17.017 1.00 0.00 N HETATM 851 C2 DMY E 7 3.446 6.907 17.786 1.00 0.00 C HETATM 852 C3 DMY E 7 4.504 7.768 17.654 1.00 0.00 C HETATM 853 C4 DMY E 7 4.272 8.851 18.516 1.00 0.00 C HETATM 854 N2 DMY E 7 3.056 8.656 19.224 1.00 0.00 N HETATM 855 C5 DMY E 7 2.602 7.423 18.757 1.00 0.00 C HETATM 856 C6 DMY E 7 2.364 9.533 20.201 1.00 0.00 C HETATM 857 C7 DMY E 7 5.191 10.084 18.694 1.00 0.00 C HETATM 858 O2 DMY E 7 4.796 11.013 19.411 1.00 0.00 O HETATM 859 N3 DMY E 7 6.475 10.088 18.038 1.00 0.00 N HETATM 860 C8 DMY E 7 7.478 11.075 18.166 1.00 0.00 C HETATM 861 C9 DMY E 7 8.592 11.201 17.364 1.00 0.00 C HETATM 862 C10 DMY E 7 9.366 12.261 17.889 1.00 0.00 C HETATM 863 N4 DMY E 7 8.742 12.783 19.049 1.00 0.00 N HETATM 864 C11 DMY E 7 7.584 12.025 19.171 1.00 0.00 C HETATM 865 C12 DMY E 7 9.215 13.821 19.997 1.00 0.00 C HETATM 866 C13 DMY E 7 10.710 12.798 17.332 1.00 0.00 C HETATM 867 O3 DMY E 7 11.274 13.729 17.926 1.00 0.00 O HETATM 868 N5 DMY E 7 11.246 12.193 16.150 1.00 0.00 N HETATM 869 C14 DMY E 7 12.468 12.496 15.512 1.00 0.00 C HETATM 870 C15 DMY E 7 12.849 12.013 14.288 1.00 0.00 C HETATM 871 C16 DMY E 7 14.084 12.595 13.966 1.00 0.00 C HETATM 872 N6 DMY E 7 14.526 13.423 15.039 1.00 0.00 N HETATM 873 C17 DMY E 7 13.482 13.331 15.961 1.00 0.00 C HETATM 874 C18 DMY E 7 15.747 14.249 15.192 1.00 0.00 C HETATM 875 C19 DMY E 7 14.744 12.415 12.579 1.00 0.00 C HETATM 876 O4 DMY E 7 14.175 11.807 11.676 1.00 0.00 O HETATM 877 N7 DMY E 7 15.943 12.973 12.364 1.00 0.00 N HETATM 878 C20 DMY E 7 16.736 12.664 11.163 1.00 0.00 C HETATM 879 C21 DMY E 7 17.836 13.712 10.937 1.00 0.00 C HETATM 880 C22 DMY E 7 18.841 13.269 9.871 1.00 0.00 C HETATM 881 N8 DMY E 7 18.616 13.509 8.594 1.00 0.00 N HETATM 882 N9 DMY E 7 19.971 12.680 10.220 1.00 0.00 N HETATM 0 HN92 DMY E 7 20.636 12.387 9.504 1.00 0.00 H new HETATM 0 HN91 DMY E 7 20.178 12.518 11.205 1.00 0.00 H new HETATM 0 H212 DMY E 7 17.381 14.656 10.636 1.00 0.00 H new HETATM 0 H211 DMY E 7 18.360 13.895 11.875 1.00 0.00 H new HETATM 0 H202 DMY E 7 17.187 11.677 11.266 1.00 0.00 H new HETATM 0 H201 DMY E 7 16.082 12.626 10.292 1.00 0.00 H new HETATM 0 H183 DMY E 7 16.628 13.611 15.124 1.00 0.00 H new HETATM 0 H182 DMY E 7 15.780 14.999 14.402 1.00 0.00 H new HETATM 0 H181 DMY E 7 15.732 14.744 16.163 1.00 0.00 H new HETATM 0 H123 DMY E 7 10.154 13.500 20.449 1.00 0.00 H new HETATM 0 H122 DMY E 7 9.371 14.758 19.462 1.00 0.00 H new HETATM 0 H121 DMY E 7 8.468 13.969 20.777 1.00 0.00 H new HETATM 0 HN8 DMY E 7 19.389 13.144 8.038 1.00 0.00 H new HETATM 0 HN7 DMY E 7 16.316 13.629 13.050 1.00 0.00 H new HETATM 0 HN5 DMY E 7 10.681 11.460 15.721 1.00 0.00 H new HETATM 0 HN3 DMY E 7 6.679 9.302 17.421 1.00 0.00 H new HETATM 0 HN1 DMY E 7 4.089 5.423 16.498 1.00 0.00 H new HETATM 0 H9 DMY E 7 8.831 10.597 16.489 1.00 0.00 H new HETATM 0 H63 DMY E 7 3.016 9.711 21.056 1.00 0.00 H new HETATM 0 H62 DMY E 7 2.119 10.483 19.727 1.00 0.00 H new HETATM 0 H61 DMY E 7 1.448 9.049 20.539 1.00 0.00 H new HETATM 0 H5 DMY E 7 1.698 6.928 19.111 1.00 0.00 H new HETATM 0 H3 DMY E 7 5.366 7.636 17.000 1.00 0.00 H new HETATM 0 H17 DMY E 7 13.465 13.852 16.918 1.00 0.00 H new HETATM 0 H15 DMY E 7 12.293 11.304 13.675 1.00 0.00 H new HETATM 0 H11 DMY E 7 6.847 12.161 19.962 1.00 0.00 H new HETATM 0 H1 DMY E 7 2.136 4.091 16.231 1.00 0.00 H new HETATM 911 C1 DMY B 7 3.409 7.124 -1.955 1.00 0.00 C HETATM 912 O1 DMY B 7 3.138 7.506 -3.097 1.00 0.00 O HETATM 913 N1 DMY B 7 4.018 5.880 -1.629 1.00 0.00 N HETATM 914 C2 DMY B 7 4.495 4.885 -2.502 1.00 0.00 C HETATM 915 C3 DMY B 7 5.217 3.785 -2.097 1.00 0.00 C HETATM 916 C4 DMY B 7 5.465 3.006 -3.229 1.00 0.00 C HETATM 917 N2 DMY B 7 4.891 3.617 -4.374 1.00 0.00 N HETATM 918 C5 DMY B 7 4.330 4.796 -3.878 1.00 0.00 C HETATM 919 C6 DMY B 7 4.963 3.184 -5.794 1.00 0.00 C HETATM 920 C7 DMY B 7 6.235 1.661 -3.282 1.00 0.00 C HETATM 921 O2 DMY B 7 5.932 0.895 -4.206 1.00 0.00 O HETATM 922 N3 DMY B 7 7.269 1.370 -2.304 1.00 0.00 N HETATM 923 C8 DMY B 7 8.185 0.277 -2.375 1.00 0.00 C HETATM 924 C9 DMY B 7 9.106 -0.107 -1.405 1.00 0.00 C HETATM 925 C10 DMY B 7 9.886 -1.156 -1.961 1.00 0.00 C HETATM 926 N4 DMY B 7 9.447 -1.430 -3.280 1.00 0.00 N HETATM 927 C11 DMY B 7 8.427 -0.515 -3.491 1.00 0.00 C HETATM 928 C12 DMY B 7 9.958 -2.410 -4.272 1.00 0.00 C HETATM 929 C13 DMY B 7 11.110 -1.878 -1.327 1.00 0.00 C HETATM 930 O3 DMY B 7 11.769 -2.633 -2.052 1.00 0.00 O HETATM 931 N5 DMY B 7 11.421 -1.670 0.062 1.00 0.00 N HETATM 932 C14 DMY B 7 12.534 -2.214 0.758 1.00 0.00 C HETATM 933 C15 DMY B 7 12.757 -2.104 2.114 1.00 0.00 C HETATM 934 C16 DMY B 7 14.010 -2.704 2.389 1.00 0.00 C HETATM 935 N6 DMY B 7 14.591 -3.178 1.187 1.00 0.00 N HETATM 936 C17 DMY B 7 13.638 -2.878 0.218 1.00 0.00 C HETATM 937 C18 DMY B 7 15.957 -3.710 0.932 1.00 0.00 C HETATM 938 C19 DMY B 7 14.728 -2.785 3.761 1.00 0.00 C HETATM 939 O4 DMY B 7 15.863 -3.262 3.847 1.00 0.00 O HETATM 940 N7 DMY B 7 14.080 -2.361 4.855 1.00 0.00 N HETATM 941 C20 DMY B 7 14.786 -2.054 6.117 1.00 0.00 C HETATM 942 C21 DMY B 7 15.338 -3.278 6.882 1.00 0.00 C HETATM 943 C22 DMY B 7 16.563 -2.989 7.755 1.00 0.00 C HETATM 944 N8 DMY B 7 16.439 -2.756 9.047 1.00 0.00 N HETATM 945 N9 DMY B 7 17.776 -3.006 7.245 1.00 0.00 N HETATM 0 HN92 DMY B 7 18.582 -2.811 7.839 1.00 0.00 H new HETATM 0 HN91 DMY B 7 17.910 -3.214 6.255 1.00 0.00 H new HETATM 0 H212 DMY B 7 14.546 -3.682 7.513 1.00 0.00 H new HETATM 0 H211 DMY B 7 15.598 -4.053 6.161 1.00 0.00 H new HETATM 0 H202 DMY B 7 15.615 -1.381 5.896 1.00 0.00 H new HETATM 0 H201 DMY B 7 14.104 -1.514 6.773 1.00 0.00 H new HETATM 0 H183 DMY B 7 16.696 -2.948 1.178 1.00 0.00 H new HETATM 0 H182 DMY B 7 16.125 -4.592 1.550 1.00 0.00 H new HETATM 0 H181 DMY B 7 16.051 -3.981 -0.120 1.00 0.00 H new HETATM 0 H123 DMY B 7 11.003 -2.192 -4.493 1.00 0.00 H new HETATM 0 H122 DMY B 7 9.876 -3.417 -3.864 1.00 0.00 H new HETATM 0 H121 DMY B 7 9.371 -2.341 -5.188 1.00 0.00 H new HETATM 0 HN8 DMY B 7 17.290 -2.316 9.397 1.00 0.00 H new HETATM 0 HN7 DMY B 7 13.067 -2.246 4.816 1.00 0.00 H new HETATM 0 HN5 DMY B 7 10.785 -1.078 0.596 1.00 0.00 H new HETATM 0 HN3 DMY B 7 7.347 1.996 -1.503 1.00 0.00 H new HETATM 0 HN1 DMY B 7 4.122 5.684 -0.633 1.00 0.00 H new HETATM 0 H9 DMY B 7 9.209 0.317 -0.406 1.00 0.00 H new HETATM 0 H63 DMY B 7 6.004 3.160 -6.115 1.00 0.00 H new HETATM 0 H62 DMY B 7 4.530 2.189 -5.893 1.00 0.00 H new HETATM 0 H61 DMY B 7 4.408 3.885 -6.417 1.00 0.00 H new HETATM 0 H5 DMY B 7 3.829 5.546 -4.490 1.00 0.00 H new HETATM 0 H3 DMY B 7 5.537 3.563 -1.079 1.00 0.00 H new HETATM 0 H17 DMY B 7 13.741 -3.131 -0.837 1.00 0.00 H new HETATM 0 H15 DMY B 7 12.091 -1.640 2.841 1.00 0.00 H new HETATM 0 H11 DMY B 7 7.876 -0.427 -4.428 1.00 0.00 H new HETATM 0 H1 DMY B 7 3.162 7.793 -1.131 1.00 0.00 H new HETATM 974 C1 DMY F 7 13.781 -6.251 8.242 1.00 0.00 C HETATM 975 O1 DMY F 7 14.938 -6.680 8.236 1.00 0.00 O HETATM 976 N1 DMY F 7 13.005 -5.946 7.096 1.00 0.00 N HETATM 977 C2 DMY F 7 13.357 -6.071 5.744 1.00 0.00 C HETATM 978 C3 DMY F 7 12.575 -5.628 4.716 1.00 0.00 C HETATM 979 C4 DMY F 7 13.165 -6.052 3.518 1.00 0.00 C HETATM 980 N2 DMY F 7 14.400 -6.694 3.794 1.00 0.00 N HETATM 981 C5 DMY F 7 14.445 -6.729 5.191 1.00 0.00 C HETATM 982 C6 DMY F 7 15.449 -7.196 2.874 1.00 0.00 C HETATM 983 C7 DMY F 7 12.501 -5.973 2.121 1.00 0.00 C HETATM 984 O2 DMY F 7 13.072 -6.461 1.137 1.00 0.00 O HETATM 985 N3 DMY F 7 11.213 -5.333 2.043 1.00 0.00 N HETATM 986 C8 DMY F 7 10.390 -5.204 0.910 1.00 0.00 C HETATM 987 C9 DMY F 7 9.325 -4.342 0.800 1.00 0.00 C HETATM 988 C10 DMY F 7 8.730 -4.574 -0.456 1.00 0.00 C HETATM 989 N4 DMY F 7 9.403 -5.634 -1.119 1.00 0.00 N HETATM 990 C11 DMY F 7 10.435 -5.968 -0.243 1.00 0.00 C HETATM 991 C12 DMY F 7 9.054 -6.348 -2.371 1.00 0.00 C HETATM 992 C13 DMY F 7 7.535 -3.801 -1.065 1.00 0.00 C HETATM 993 O3 DMY F 7 7.099 -4.153 -2.170 1.00 0.00 O HETATM 994 N5 DMY F 7 6.987 -2.697 -0.324 1.00 0.00 N HETATM 995 C14 DMY F 7 5.900 -1.877 -0.700 1.00 0.00 C HETATM 996 C15 DMY F 7 5.534 -0.711 -0.072 1.00 0.00 C HETATM 997 C16 DMY F 7 4.412 -0.202 -0.744 1.00 0.00 C HETATM 998 N6 DMY F 7 4.046 -1.076 -1.811 1.00 0.00 N HETATM 999 C17 DMY F 7 5.002 -2.087 -1.736 1.00 0.00 C HETATM 1000 C18 DMY F 7 2.976 -0.976 -2.832 1.00 0.00 C HETATM 1001 C19 DMY F 7 3.769 1.160 -0.382 1.00 0.00 C HETATM 1002 O4 DMY F 7 4.287 1.921 0.431 1.00 0.00 O HETATM 1003 N7 DMY F 7 2.660 1.519 -1.039 1.00 0.00 N HETATM 1004 C20 DMY F 7 1.928 2.756 -0.734 1.00 0.00 C HETATM 1005 C21 DMY F 7 0.866 3.001 -1.818 1.00 0.00 C HETATM 1006 C22 DMY F 7 -0.026 4.203 -1.518 1.00 0.00 C HETATM 1007 N8 DMY F 7 -1.121 4.064 -0.790 1.00 0.00 N HETATM 1008 N9 DMY F 7 0.239 5.379 -2.060 1.00 0.00 N HETATM 0 HN92 DMY F 7 -0.359 6.180 -1.858 1.00 0.00 H new HETATM 0 HN91 DMY F 7 1.041 5.485 -2.681 1.00 0.00 H new HETATM 0 H212 DMY F 7 1.362 3.154 -2.777 1.00 0.00 H new HETATM 0 H211 DMY F 7 0.245 2.111 -1.918 1.00 0.00 H new HETATM 0 H202 DMY F 7 1.454 2.679 0.244 1.00 0.00 H new HETATM 0 H201 DMY F 7 2.618 3.598 -0.689 1.00 0.00 H new HETATM 0 H183 DMY F 7 2.005 -0.932 -2.338 1.00 0.00 H new HETATM 0 H182 DMY F 7 3.122 -0.073 -3.425 1.00 0.00 H new HETATM 0 H181 DMY F 7 3.013 -1.849 -3.484 1.00 0.00 H new HETATM 0 H123 DMY F 7 8.079 -6.822 -2.260 1.00 0.00 H new HETATM 0 H122 DMY F 7 9.020 -5.638 -3.197 1.00 0.00 H new HETATM 0 H121 DMY F 7 9.806 -7.109 -2.577 1.00 0.00 H new HETATM 0 HN8 DMY F 7 -1.585 4.968 -0.696 1.00 0.00 H new HETATM 0 HN7 DMY F 7 2.310 0.911 -1.779 1.00 0.00 H new HETATM 0 HN5 DMY F 7 7.431 -2.483 0.569 1.00 0.00 H new HETATM 0 HN3 DMY F 7 10.857 -4.927 2.908 1.00 0.00 H new HETATM 0 HN1 DMY F 7 12.067 -5.589 7.278 1.00 0.00 H new HETATM 0 H9 DMY F 7 9.001 -3.615 1.545 1.00 0.00 H new HETATM 0 H63 DMY F 7 15.024 -7.954 2.216 1.00 0.00 H new HETATM 0 H62 DMY F 7 15.834 -6.370 2.275 1.00 0.00 H new HETATM 0 H61 DMY F 7 16.262 -7.634 3.453 1.00 0.00 H new HETATM 0 H5 DMY F 7 15.233 -7.211 5.770 1.00 0.00 H new HETATM 0 H3 DMY F 7 11.657 -5.049 4.810 1.00 0.00 H new HETATM 0 H17 DMY F 7 5.040 -2.942 -2.411 1.00 0.00 H new HETATM 0 H15 DMY F 7 6.026 -0.263 0.791 1.00 0.00 H new HETATM 0 H11 DMY F 7 11.184 -6.735 -0.441 1.00 0.00 H new HETATM 0 H1 DMY F 7 13.315 -6.093 9.214 1.00 0.00 H new