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=-0.00701 (180deg=-0.00701) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl -30:sc= 0 (180deg=-0.607) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 7 DMY N8 :NH3+ -149:sc= 0.564 (180deg=0.201) USER MOD Single : B 1 DT C7 :methyl 150:sc=-0.00673 (180deg=-0.00673) 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+ -165:sc= 0.465 (180deg=0.335) USER MOD Single : E 1 DT C7 :methyl 150:sc= -0.224 (180deg=-0.224) USER MOD Single : E 1 DT O5' : rot 180:sc= 0 USER MOD Single : E 6 DT C7 :methyl 150:sc= -0.287 (180deg=-0.287) 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= -0.399 (180deg=-0.399) USER MOD Single : F 1 DT O5' : rot 180:sc= 0 USER MOD Single : F 6 DT C7 :methyl -30:sc= 0 (180deg=-1.11) 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 12.597 19.017 8.131 1.00 0.00 O ATOM 2 C5' DT A 1 12.196 18.162 7.060 1.00 0.00 C ATOM 3 C4' DT A 1 10.746 17.678 7.251 1.00 0.00 C ATOM 4 O4' DT A 1 10.400 16.870 6.106 1.00 0.00 O ATOM 5 C3' DT A 1 10.524 16.805 8.499 1.00 0.00 C ATOM 6 O3' DT A 1 9.223 17.075 9.057 1.00 0.00 O ATOM 7 C2' DT A 1 10.587 15.392 7.937 1.00 0.00 C ATOM 8 C1' DT A 1 9.995 15.553 6.539 1.00 0.00 C ATOM 9 N1 DT A 1 10.467 14.531 5.564 1.00 0.00 N ATOM 10 C2 DT A 1 9.562 13.682 4.954 1.00 0.00 C ATOM 11 O2 DT A 1 8.351 13.787 5.138 1.00 0.00 O ATOM 12 N3 DT A 1 9.966 12.723 4.093 1.00 0.00 N ATOM 13 C4 DT A 1 11.255 12.532 3.719 1.00 0.00 C ATOM 14 O4 DT A 1 11.551 11.683 2.885 1.00 0.00 O ATOM 15 C5 DT A 1 12.331 13.478 4.343 1.00 0.00 C ATOM 16 C7 DT A 1 13.791 13.327 3.965 1.00 0.00 C ATOM 17 C6 DT A 1 11.913 14.405 5.234 1.00 0.00 C ATOM 0 H5' DT A 1 12.865 17.303 7.006 1.00 0.00 H new ATOM 0 H5'' DT A 1 12.283 18.695 6.113 1.00 0.00 H new ATOM 0 H4' DT A 1 10.133 18.572 7.368 1.00 0.00 H new ATOM 0 H3' DT A 1 11.246 16.980 9.297 1.00 0.00 H new ATOM 0 H2' DT A 1 11.610 15.017 7.902 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.011 14.691 8.541 1.00 0.00 H new ATOM 0 HO5' DT A 1 13.521 19.309 7.988 1.00 0.00 H new ATOM 0 H1' DT A 1 8.914 15.421 6.582 1.00 0.00 H new ATOM 0 H3 DT A 1 9.257 12.104 3.700 1.00 0.00 H new ATOM 0 H71 DT A 1 14.285 14.297 4.027 1.00 0.00 H new ATOM 0 H72 DT A 1 14.274 12.629 4.649 1.00 0.00 H new ATOM 0 H73 DT A 1 13.866 12.947 2.946 1.00 0.00 H new ATOM 0 H6 DT A 1 12.631 15.057 5.708 1.00 0.00 H new ATOM 31 P DG A 2 8.957 16.743 10.613 1.00 0.00 P ATOM 32 OP1 DG A 2 9.861 17.682 11.426 1.00 0.00 O ATOM 33 OP2 DG A 2 9.361 15.300 10.834 1.00 0.00 O ATOM 34 O5' DG A 2 7.413 16.951 11.032 1.00 0.00 O ATOM 35 C5' DG A 2 6.369 17.563 10.242 1.00 0.00 C ATOM 36 C4' DG A 2 5.080 16.701 10.186 1.00 0.00 C ATOM 37 O4' DG A 2 5.162 15.825 9.041 1.00 0.00 O ATOM 38 C3' DG A 2 4.795 15.834 11.437 1.00 0.00 C ATOM 39 O3' DG A 2 3.398 15.887 11.796 1.00 0.00 O ATOM 40 C2' DG A 2 5.222 14.443 10.971 1.00 0.00 C ATOM 41 C1' DG A 2 4.984 14.463 9.457 1.00 0.00 C ATOM 42 N9 DG A 2 5.935 13.593 8.705 1.00 0.00 N ATOM 43 C8 DG A 2 7.323 13.549 8.719 1.00 0.00 C ATOM 44 N7 DG A 2 8.031 12.612 8.006 1.00 0.00 N ATOM 45 C5 DG A 2 6.941 12.005 7.410 1.00 0.00 C ATOM 46 C6 DG A 2 6.955 10.895 6.330 1.00 0.00 C ATOM 47 O6 DG A 2 7.987 10.388 5.899 1.00 0.00 O ATOM 48 N1 DG A 2 5.740 10.530 5.848 1.00 0.00 N ATOM 49 C2 DG A 2 4.508 11.168 6.272 1.00 0.00 C ATOM 50 N2 DG A 2 3.326 10.803 5.707 1.00 0.00 N ATOM 51 N3 DG A 2 4.493 12.114 7.138 1.00 0.00 N ATOM 52 C4 DG A 2 5.685 12.587 7.790 1.00 0.00 C ATOM 0 H5' DG A 2 6.735 17.729 9.229 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.130 18.541 10.658 1.00 0.00 H new ATOM 0 H4' DG A 2 4.258 17.415 10.126 1.00 0.00 H new ATOM 0 H3' DG A 2 5.319 16.160 12.335 1.00 0.00 H new ATOM 0 H2' DG A 2 6.268 14.248 11.207 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.635 13.663 11.456 1.00 0.00 H new ATOM 0 H1' DG A 2 3.986 14.079 9.246 1.00 0.00 H new ATOM 0 H8 DG A 2 7.863 14.275 9.309 1.00 0.00 H new ATOM 0 H1 DG A 2 5.691 9.778 5.161 1.00 0.00 H new ATOM 0 H21 DG A 2 2.459 11.251 6.004 1.00 0.00 H new ATOM 0 H22 DG A 2 3.307 10.082 4.986 1.00 0.00 H new ATOM 64 P DG A 3 2.809 15.205 13.150 1.00 0.00 P ATOM 65 OP1 DG A 3 1.755 16.146 13.753 1.00 0.00 O ATOM 66 OP2 DG A 3 3.910 15.026 14.194 1.00 0.00 O ATOM 67 O5' DG A 3 2.134 13.782 12.793 1.00 0.00 O ATOM 68 C5' DG A 3 1.215 13.589 11.684 1.00 0.00 C ATOM 69 C4' DG A 3 1.221 12.136 11.156 1.00 0.00 C ATOM 70 O4' DG A 3 2.412 11.905 10.338 1.00 0.00 O ATOM 71 C3' DG A 3 1.198 11.051 12.273 1.00 0.00 C ATOM 72 O3' DG A 3 0.300 9.952 11.991 1.00 0.00 O ATOM 73 C2' DG A 3 2.605 10.481 12.116 1.00 0.00 C ATOM 74 C1' DG A 3 2.778 10.552 10.609 1.00 0.00 C ATOM 75 N9 DG A 3 4.131 10.130 10.148 1.00 0.00 N ATOM 76 C8 DG A 3 5.425 10.463 10.535 1.00 0.00 C ATOM 77 N7 DG A 3 6.517 9.742 10.088 1.00 0.00 N ATOM 78 C5 DG A 3 5.813 8.834 9.307 1.00 0.00 C ATOM 79 C6 DG A 3 6.375 7.712 8.388 1.00 0.00 C ATOM 80 O6 DG A 3 7.570 7.481 8.272 1.00 0.00 O ATOM 81 N1 DG A 3 5.456 7.001 7.682 1.00 0.00 N ATOM 82 C2 DG A 3 4.034 7.275 7.772 1.00 0.00 C ATOM 83 N2 DG A 3 3.147 6.547 7.044 1.00 0.00 N ATOM 84 N3 DG A 3 3.570 8.203 8.521 1.00 0.00 N ATOM 85 C4 DG A 3 4.403 9.053 9.325 1.00 0.00 C ATOM 0 H5' DG A 3 1.481 14.268 10.874 1.00 0.00 H new ATOM 0 H5'' DG A 3 0.206 13.852 12.002 1.00 0.00 H new ATOM 0 H4' DG A 3 0.302 12.037 10.578 1.00 0.00 H new ATOM 0 H3' DG A 3 0.898 11.465 13.236 1.00 0.00 H new ATOM 0 H2' DG A 3 3.352 11.073 12.645 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.681 9.461 12.493 1.00 0.00 H new ATOM 0 H1' DG A 3 2.165 9.848 10.047 1.00 0.00 H new ATOM 0 H8 DG A 3 5.580 11.301 11.198 1.00 0.00 H new ATOM 0 H1 DG A 3 5.776 6.251 7.069 1.00 0.00 H new ATOM 0 H21 DG A 3 2.149 6.744 7.111 1.00 0.00 H new ATOM 0 H22 DG A 3 3.480 5.803 6.430 1.00 0.00 H new ATOM 97 P DG A 4 -1.211 9.762 12.505 1.00 0.00 P ATOM 98 OP1 DG A 4 -2.138 10.846 11.953 1.00 0.00 O ATOM 99 OP2 DG A 4 -1.295 9.799 14.045 1.00 0.00 O ATOM 100 O5' DG A 4 -1.747 8.301 12.077 1.00 0.00 O ATOM 101 C5' DG A 4 -1.836 7.800 10.712 1.00 0.00 C ATOM 102 C4' DG A 4 -1.297 6.351 10.564 1.00 0.00 C ATOM 103 O4' DG A 4 0.123 6.383 10.261 1.00 0.00 O ATOM 104 C3' DG A 4 -1.459 5.467 11.831 1.00 0.00 C ATOM 105 O3' DG A 4 -1.973 4.156 11.540 1.00 0.00 O ATOM 106 C2' DG A 4 -0.010 5.335 12.299 1.00 0.00 C ATOM 107 C1' DG A 4 0.707 5.284 10.957 1.00 0.00 C ATOM 108 N9 DG A 4 2.191 5.368 11.048 1.00 0.00 N ATOM 109 C8 DG A 4 3.063 6.123 11.828 1.00 0.00 C ATOM 110 N7 DG A 4 4.428 5.921 11.780 1.00 0.00 N ATOM 111 C5 DG A 4 4.417 4.928 10.810 1.00 0.00 C ATOM 112 C6 DG A 4 5.628 4.173 10.196 1.00 0.00 C ATOM 113 O6 DG A 4 6.782 4.375 10.549 1.00 0.00 O ATOM 114 N1 DG A 4 5.334 3.254 9.236 1.00 0.00 N ATOM 115 C2 DG A 4 3.970 2.969 8.835 1.00 0.00 C ATOM 116 N2 DG A 4 3.704 2.007 7.911 1.00 0.00 N ATOM 117 N3 DG A 4 2.968 3.577 9.351 1.00 0.00 N ATOM 118 C4 DG A 4 3.105 4.598 10.354 1.00 0.00 C ATOM 0 H5' DG A 4 -1.275 8.460 10.051 1.00 0.00 H new ATOM 0 H5'' DG A 4 -2.876 7.831 10.386 1.00 0.00 H new ATOM 0 H4' DG A 4 -1.895 5.912 9.766 1.00 0.00 H new ATOM 0 H3' DG A 4 -2.158 5.899 12.547 1.00 0.00 H new ATOM 0 H2' DG A 4 0.308 6.181 12.908 1.00 0.00 H new ATOM 0 H2'' DG A 4 0.155 4.435 12.892 1.00 0.00 H new ATOM 0 H1' DG A 4 0.578 4.327 10.452 1.00 0.00 H new ATOM 0 H8 DG A 4 2.663 6.882 12.484 1.00 0.00 H new ATOM 0 H1 DG A 4 6.097 2.750 8.784 1.00 0.00 H new ATOM 0 H21 DG A 4 2.740 1.816 7.637 1.00 0.00 H new ATOM 0 H22 DG A 4 4.468 1.477 7.492 1.00 0.00 H new ATOM 130 P DG A 5 -2.710 3.261 12.659 1.00 0.00 P ATOM 131 OP1 DG A 5 -4.114 3.823 12.905 1.00 0.00 O ATOM 132 OP2 DG A 5 -1.973 3.388 14.009 1.00 0.00 O ATOM 133 O5' DG A 5 -2.806 1.716 12.174 1.00 0.00 O ATOM 134 C5' DG A 5 -3.096 1.292 10.803 1.00 0.00 C ATOM 135 C4' DG A 5 -2.311 0.015 10.410 1.00 0.00 C ATOM 136 O4' DG A 5 -0.927 0.391 10.224 1.00 0.00 O ATOM 137 C3' DG A 5 -2.357 -1.110 11.484 1.00 0.00 C ATOM 138 O3' DG A 5 -2.497 -2.440 10.922 1.00 0.00 O ATOM 139 C2' DG A 5 -0.976 -0.962 12.117 1.00 0.00 C ATOM 140 C1' DG A 5 -0.124 -0.558 10.915 1.00 0.00 C ATOM 141 N9 DG A 5 1.207 0.010 11.271 1.00 0.00 N ATOM 142 C8 DG A 5 1.625 0.940 12.217 1.00 0.00 C ATOM 143 N7 DG A 5 2.965 1.197 12.429 1.00 0.00 N ATOM 144 C5 DG A 5 3.453 0.363 11.432 1.00 0.00 C ATOM 145 C6 DG A 5 4.934 0.089 11.051 1.00 0.00 C ATOM 146 O6 DG A 5 5.881 0.587 11.652 1.00 0.00 O ATOM 147 N1 DG A 5 5.128 -0.763 10.009 1.00 0.00 N ATOM 148 C2 DG A 5 4.021 -1.384 9.295 1.00 0.00 C ATOM 149 N2 DG A 5 4.255 -2.224 8.249 1.00 0.00 N ATOM 150 N3 DG A 5 2.805 -1.187 9.637 1.00 0.00 N ATOM 151 C4 DG A 5 2.424 -0.315 10.710 1.00 0.00 C ATOM 0 H5' DG A 5 -2.845 2.098 10.114 1.00 0.00 H new ATOM 0 H5'' DG A 5 -4.165 1.106 10.700 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.776 -0.384 9.509 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.208 -1.012 12.158 1.00 0.00 H new ATOM 0 H2' DG A 5 -0.964 -0.204 12.900 1.00 0.00 H new ATOM 0 H2'' DG A 5 -0.631 -1.892 12.569 1.00 0.00 H new ATOM 0 H1' DG A 5 0.131 -1.431 10.314 1.00 0.00 H new ATOM 0 H8 DG A 5 0.886 1.472 12.798 1.00 0.00 H new ATOM 0 H1 DG A 5 6.082 -0.975 9.717 1.00 0.00 H new ATOM 0 H21 DG A 5 3.473 -2.654 7.755 1.00 0.00 H new ATOM 0 H22 DG A 5 5.212 -2.423 7.959 1.00 0.00 H new ATOM 163 P DT A 6 -2.912 -3.747 11.800 1.00 0.00 P ATOM 164 OP1 DT A 6 -4.359 -4.152 11.482 1.00 0.00 O ATOM 165 OP2 DT A 6 -2.828 -3.471 13.305 1.00 0.00 O ATOM 166 O5' DT A 6 -1.942 -5.000 11.456 1.00 0.00 O ATOM 167 C5' DT A 6 -1.690 -5.455 10.104 1.00 0.00 C ATOM 168 C4' DT A 6 -0.208 -5.812 9.878 1.00 0.00 C ATOM 169 O4' DT A 6 0.636 -4.683 10.145 1.00 0.00 O ATOM 170 C3' DT A 6 0.347 -6.905 10.792 1.00 0.00 C ATOM 171 O3' DT A 6 0.016 -8.219 10.351 1.00 0.00 O ATOM 172 C2' DT A 6 1.853 -6.649 10.713 1.00 0.00 C ATOM 173 C1' DT A 6 1.984 -5.148 10.369 1.00 0.00 C ATOM 174 N1 DT A 6 2.678 -4.376 11.442 1.00 0.00 N ATOM 175 C2 DT A 6 4.054 -4.241 11.405 1.00 0.00 C ATOM 176 O2 DT A 6 4.750 -4.813 10.567 1.00 0.00 O ATOM 177 N3 DT A 6 4.710 -3.493 12.316 1.00 0.00 N ATOM 178 C4 DT A 6 4.111 -2.834 13.336 1.00 0.00 C ATOM 179 O4 DT A 6 4.800 -2.207 14.137 1.00 0.00 O ATOM 180 C5 DT A 6 2.556 -2.955 13.455 1.00 0.00 C ATOM 181 C7 DT A 6 1.818 -2.236 14.571 1.00 0.00 C ATOM 182 C6 DT A 6 1.907 -3.685 12.516 1.00 0.00 C ATOM 0 H5' DT A 6 -1.987 -4.678 9.400 1.00 0.00 H new ATOM 0 H5'' DT A 6 -2.308 -6.328 9.895 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.196 -6.150 8.842 1.00 0.00 H new ATOM 0 H3' DT A 6 -0.063 -6.863 11.801 1.00 0.00 H new ATOM 0 H2' DT A 6 2.343 -6.882 11.658 1.00 0.00 H new ATOM 0 H2'' DT A 6 2.320 -7.271 9.950 1.00 0.00 H new ATOM 0 HO3' DT A 6 0.396 -8.877 10.969 1.00 0.00 H new ATOM 0 H1' DT A 6 2.606 -5.000 9.486 1.00 0.00 H new ATOM 0 H3 DT A 6 5.724 -3.419 12.231 1.00 0.00 H new ATOM 0 H71 DT A 6 2.468 -2.151 15.442 1.00 0.00 H new ATOM 0 H72 DT A 6 1.531 -1.240 14.234 1.00 0.00 H new ATOM 0 H73 DT A 6 0.925 -2.800 14.839 1.00 0.00 H new ATOM 0 H6 DT A 6 0.830 -3.767 12.545 1.00 0.00 H new TER 196 DT A 6 ATOM 197 O5' DT B 1 7.705 7.435 -6.955 1.00 0.00 O ATOM 198 C5' DT B 1 7.546 6.313 -6.088 1.00 0.00 C ATOM 199 C4' DT B 1 8.826 6.045 -5.265 1.00 0.00 C ATOM 200 O4' DT B 1 9.050 7.166 -4.375 1.00 0.00 O ATOM 201 C3' DT B 1 8.724 4.776 -4.388 1.00 0.00 C ATOM 202 O3' DT B 1 9.961 4.044 -4.364 1.00 0.00 O ATOM 203 C2' DT B 1 8.486 5.351 -3.002 1.00 0.00 C ATOM 204 C1' DT B 1 9.268 6.664 -3.040 1.00 0.00 C ATOM 205 N1 DT B 1 8.827 7.657 -2.018 1.00 0.00 N ATOM 206 C2 DT B 1 9.711 8.090 -1.044 1.00 0.00 C ATOM 207 O2 DT B 1 10.892 7.748 -1.042 1.00 0.00 O ATOM 208 N3 DT B 1 9.323 8.932 -0.063 1.00 0.00 N ATOM 209 C4 DT B 1 8.077 9.453 0.041 1.00 0.00 C ATOM 210 O4 DT B 1 7.799 10.247 0.933 1.00 0.00 O ATOM 211 C5 DT B 1 7.035 9.045 -1.049 1.00 0.00 C ATOM 212 C7 DT B 1 5.628 9.604 -0.993 1.00 0.00 C ATOM 213 C6 DT B 1 7.430 8.174 -2.005 1.00 0.00 C ATOM 0 H5' DT B 1 7.300 5.429 -6.677 1.00 0.00 H new ATOM 0 H5'' DT B 1 6.709 6.490 -5.413 1.00 0.00 H new ATOM 0 H4' DT B 1 9.639 5.906 -5.978 1.00 0.00 H new ATOM 0 H3' DT B 1 7.958 4.089 -4.748 1.00 0.00 H new ATOM 0 H2' DT B 1 7.426 5.517 -2.810 1.00 0.00 H new ATOM 0 H2'' DT B 1 8.851 4.685 -2.220 1.00 0.00 H new ATOM 0 HO5' DT B 1 6.878 7.576 -7.462 1.00 0.00 H new ATOM 0 H1' DT B 1 10.319 6.494 -2.804 1.00 0.00 H new ATOM 0 H3 DT B 1 10.011 9.192 0.644 1.00 0.00 H new ATOM 0 H71 DT B 1 5.226 9.680 -2.003 1.00 0.00 H new ATOM 0 H72 DT B 1 4.997 8.942 -0.401 1.00 0.00 H new ATOM 0 H73 DT B 1 5.647 10.593 -0.534 1.00 0.00 H new ATOM 0 H6 DT B 1 6.730 7.852 -2.762 1.00 0.00 H new ATOM 227 P DG B 2 10.244 2.776 -5.326 1.00 0.00 P ATOM 228 OP1 DG B 2 10.635 3.292 -6.719 1.00 0.00 O ATOM 229 OP2 DG B 2 8.953 1.970 -5.510 1.00 0.00 O ATOM 230 O5' DG B 2 11.420 1.841 -4.712 1.00 0.00 O ATOM 231 C5' DG B 2 12.843 2.159 -4.745 1.00 0.00 C ATOM 232 C4' DG B 2 13.550 2.101 -3.368 1.00 0.00 C ATOM 233 O4' DG B 2 13.259 3.306 -2.637 1.00 0.00 O ATOM 234 C3' DG B 2 13.180 0.915 -2.445 1.00 0.00 C ATOM 235 O3' DG B 2 14.134 -0.186 -2.406 1.00 0.00 O ATOM 236 C2' DG B 2 12.959 1.554 -1.069 1.00 0.00 C ATOM 237 C1' DG B 2 13.371 3.028 -1.236 1.00 0.00 C ATOM 238 N9 DG B 2 12.483 3.964 -0.489 1.00 0.00 N ATOM 239 C8 DG B 2 11.111 4.125 -0.572 1.00 0.00 C ATOM 240 N7 DG B 2 10.418 4.931 0.298 1.00 0.00 N ATOM 241 C5 DG B 2 11.522 5.412 0.986 1.00 0.00 C ATOM 242 C6 DG B 2 11.540 6.496 2.093 1.00 0.00 C ATOM 243 O6 DG B 2 10.522 7.039 2.512 1.00 0.00 O ATOM 244 N1 DG B 2 12.766 6.841 2.560 1.00 0.00 N ATOM 245 C2 DG B 2 13.991 6.273 2.030 1.00 0.00 C ATOM 246 N2 DG B 2 15.192 6.696 2.515 1.00 0.00 N ATOM 247 N3 DG B 2 13.985 5.403 1.085 1.00 0.00 N ATOM 248 C4 DG B 2 12.768 4.881 0.514 1.00 0.00 C ATOM 0 H5' DG B 2 12.969 3.159 -5.161 1.00 0.00 H new ATOM 0 H5'' DG B 2 13.341 1.466 -5.424 1.00 0.00 H new ATOM 0 H4' DG B 2 14.603 1.974 -3.621 1.00 0.00 H new ATOM 0 H3' DG B 2 12.295 0.410 -2.832 1.00 0.00 H new ATOM 0 H2' DG B 2 11.918 1.469 -0.758 1.00 0.00 H new ATOM 0 H2'' DG B 2 13.561 1.061 -0.305 1.00 0.00 H new ATOM 0 H1' DG B 2 14.377 3.173 -0.842 1.00 0.00 H new ATOM 0 H8 DG B 2 10.568 3.601 -1.345 1.00 0.00 H new ATOM 0 H1 DG B 2 12.829 7.526 3.313 1.00 0.00 H new ATOM 0 H21 DG B 2 16.058 6.302 2.148 1.00 0.00 H new ATOM 0 H22 DG B 2 15.225 7.407 3.245 1.00 0.00 H new ATOM 260 P DG B 3 15.730 -0.093 -2.117 1.00 0.00 P ATOM 261 OP1 DG B 3 16.465 0.057 -3.459 1.00 0.00 O ATOM 262 OP2 DG B 3 16.209 -1.393 -1.466 1.00 0.00 O ATOM 263 O5' DG B 3 16.043 1.195 -1.182 1.00 0.00 O ATOM 264 C5' DG B 3 17.188 1.373 -0.317 1.00 0.00 C ATOM 265 C4' DG B 3 16.801 1.515 1.176 1.00 0.00 C ATOM 266 O4' DG B 3 15.640 2.355 1.415 1.00 0.00 O ATOM 267 C3' DG B 3 16.481 0.189 1.892 1.00 0.00 C ATOM 268 O3' DG B 3 17.665 -0.491 2.401 1.00 0.00 O ATOM 269 C2' DG B 3 15.436 0.587 2.944 1.00 0.00 C ATOM 270 C1' DG B 3 15.315 2.104 2.794 1.00 0.00 C ATOM 271 N9 DG B 3 13.977 2.620 3.215 1.00 0.00 N ATOM 272 C8 DG B 3 12.679 2.334 2.809 1.00 0.00 C ATOM 273 N7 DG B 3 11.583 2.883 3.449 1.00 0.00 N ATOM 274 C5 DG B 3 12.293 3.642 4.372 1.00 0.00 C ATOM 275 C6 DG B 3 11.735 4.635 5.429 1.00 0.00 C ATOM 276 O6 DG B 3 10.537 4.826 5.595 1.00 0.00 O ATOM 277 N1 DG B 3 12.663 5.305 6.163 1.00 0.00 N ATOM 278 C2 DG B 3 14.091 5.123 5.959 1.00 0.00 C ATOM 279 N2 DG B 3 14.987 5.818 6.707 1.00 0.00 N ATOM 280 N3 DG B 3 14.546 4.317 5.076 1.00 0.00 N ATOM 281 C4 DG B 3 13.710 3.517 4.233 1.00 0.00 C ATOM 0 H5' DG B 3 17.739 2.260 -0.630 1.00 0.00 H new ATOM 0 H5'' DG B 3 17.860 0.523 -0.433 1.00 0.00 H new ATOM 0 H4' DG B 3 17.709 1.964 1.578 1.00 0.00 H new ATOM 0 H3' DG B 3 16.083 -0.576 1.225 1.00 0.00 H new ATOM 0 H2' DG B 3 14.482 0.091 2.765 1.00 0.00 H new ATOM 0 H2'' DG B 3 15.756 0.310 3.948 1.00 0.00 H new ATOM 0 H1' DG B 3 15.991 2.645 3.457 1.00 0.00 H new ATOM 0 H8 DG B 3 12.523 1.667 1.974 1.00 0.00 H new ATOM 0 H1 DG B 3 12.347 5.957 6.881 1.00 0.00 H new ATOM 0 H21 DG B 3 15.987 5.685 6.558 1.00 0.00 H new ATOM 0 H22 DG B 3 14.659 6.473 7.417 1.00 0.00 H new ATOM 293 P DG B 4 18.466 -0.258 3.803 1.00 0.00 P ATOM 294 OP1 DG B 4 19.930 -0.664 3.581 1.00 0.00 O ATOM 295 OP2 DG B 4 17.891 -1.170 4.899 1.00 0.00 O ATOM 296 O5' DG B 4 18.386 1.299 4.247 1.00 0.00 O ATOM 297 C5' DG B 4 19.231 1.942 5.244 1.00 0.00 C ATOM 298 C4' DG B 4 18.577 2.093 6.639 1.00 0.00 C ATOM 299 O4' DG B 4 17.180 2.493 6.567 1.00 0.00 O ATOM 300 C3' DG B 4 18.626 0.816 7.522 1.00 0.00 C ATOM 301 O3' DG B 4 19.425 0.996 8.711 1.00 0.00 O ATOM 302 C2' DG B 4 17.167 0.656 7.932 1.00 0.00 C ATOM 303 C1' DG B 4 16.628 2.070 7.813 1.00 0.00 C ATOM 304 N9 DG B 4 15.142 2.097 7.865 1.00 0.00 N ATOM 305 C8 DG B 4 14.174 1.487 7.087 1.00 0.00 C ATOM 306 N7 DG B 4 12.833 1.625 7.369 1.00 0.00 N ATOM 307 C5 DG B 4 12.976 2.465 8.463 1.00 0.00 C ATOM 308 C6 DG B 4 11.863 3.065 9.364 1.00 0.00 C ATOM 309 O6 DG B 4 10.670 2.871 9.169 1.00 0.00 O ATOM 310 N1 DG B 4 12.288 3.811 10.416 1.00 0.00 N ATOM 311 C2 DG B 4 13.698 4.000 10.704 1.00 0.00 C ATOM 312 N2 DG B 4 14.093 4.626 11.839 1.00 0.00 N ATOM 313 N3 DG B 4 14.616 3.538 9.943 1.00 0.00 N ATOM 314 C4 DG B 4 14.340 2.747 8.780 1.00 0.00 C ATOM 0 H5' DG B 4 19.513 2.930 4.880 1.00 0.00 H new ATOM 0 H5'' DG B 4 20.151 1.366 5.348 1.00 0.00 H new ATOM 0 H4' DG B 4 19.187 2.870 7.100 1.00 0.00 H new ATOM 0 H3' DG B 4 19.064 -0.031 6.995 1.00 0.00 H new ATOM 0 H2' DG B 4 16.636 -0.036 7.278 1.00 0.00 H new ATOM 0 H2'' DG B 4 17.072 0.271 8.947 1.00 0.00 H new ATOM 0 H1' DG B 4 16.905 2.734 8.631 1.00 0.00 H new ATOM 0 H8 DG B 4 14.477 0.889 6.240 1.00 0.00 H new ATOM 0 H1 DG B 4 11.596 4.252 11.022 1.00 0.00 H new ATOM 0 H21 DG B 4 15.086 4.754 12.032 1.00 0.00 H new ATOM 0 H22 DG B 4 13.397 4.970 12.501 1.00 0.00 H new ATOM 326 P DG B 5 19.853 -0.215 9.695 1.00 0.00 P ATOM 327 OP1 DG B 5 21.283 -0.669 9.379 1.00 0.00 O ATOM 328 OP2 DG B 5 18.919 -1.437 9.506 1.00 0.00 O ATOM 329 O5' DG B 5 19.780 0.261 11.241 1.00 0.00 O ATOM 330 C5' DG B 5 20.007 1.616 11.741 1.00 0.00 C ATOM 331 C4' DG B 5 19.139 1.890 12.999 1.00 0.00 C ATOM 332 O4' DG B 5 17.773 2.116 12.561 1.00 0.00 O ATOM 333 C3' DG B 5 19.109 0.707 14.019 1.00 0.00 C ATOM 334 O3' DG B 5 19.214 1.115 15.414 1.00 0.00 O ATOM 335 C2' DG B 5 17.727 0.123 13.725 1.00 0.00 C ATOM 336 C1' DG B 5 16.928 1.388 13.443 1.00 0.00 C ATOM 337 N9 DG B 5 15.582 1.116 12.866 1.00 0.00 N ATOM 338 C8 DG B 5 15.161 0.420 11.741 1.00 0.00 C ATOM 339 N7 DG B 5 13.818 0.246 11.462 1.00 0.00 N ATOM 340 C5 DG B 5 13.332 0.995 12.529 1.00 0.00 C ATOM 341 C6 DG B 5 11.853 1.291 12.900 1.00 0.00 C ATOM 342 O6 DG B 5 10.904 0.815 12.286 1.00 0.00 O ATOM 343 N1 DG B 5 11.658 2.083 13.989 1.00 0.00 N ATOM 344 C2 DG B 5 12.763 2.586 14.786 1.00 0.00 C ATOM 345 N2 DG B 5 12.528 3.338 15.901 1.00 0.00 N ATOM 346 N3 DG B 5 13.980 2.321 14.498 1.00 0.00 N ATOM 347 C4 DG B 5 14.363 1.530 13.363 1.00 0.00 C ATOM 0 H5' DG B 5 19.767 2.341 10.963 1.00 0.00 H new ATOM 0 H5'' DG B 5 21.061 1.747 11.985 1.00 0.00 H new ATOM 0 H4' DG B 5 19.581 2.748 13.505 1.00 0.00 H new ATOM 0 H3' DG B 5 19.953 0.027 13.903 1.00 0.00 H new ATOM 0 H2' DG B 5 17.739 -0.555 12.872 1.00 0.00 H new ATOM 0 H2'' DG B 5 17.328 -0.436 14.571 1.00 0.00 H new ATOM 0 H1' DG B 5 16.690 1.942 14.351 1.00 0.00 H new ATOM 0 H8 DG B 5 15.898 0.006 11.069 1.00 0.00 H new ATOM 0 H1 DG B 5 10.705 2.332 14.254 1.00 0.00 H new ATOM 0 H21 DG B 5 13.310 3.687 16.455 1.00 0.00 H new ATOM 0 H22 DG B 5 11.570 3.551 16.180 1.00 0.00 H new ATOM 359 P DT B 6 19.220 0.057 16.658 1.00 0.00 P ATOM 360 OP1 DT B 6 20.130 0.556 17.790 1.00 0.00 O ATOM 361 OP2 DT B 6 19.764 -1.307 16.218 1.00 0.00 O ATOM 362 O5' DT B 6 17.722 -0.153 17.260 1.00 0.00 O ATOM 363 C5' DT B 6 17.012 0.906 17.947 1.00 0.00 C ATOM 364 C4' DT B 6 15.542 0.553 18.259 1.00 0.00 C ATOM 365 O4' DT B 6 14.768 0.439 17.060 1.00 0.00 O ATOM 366 C3' DT B 6 15.278 -0.785 18.961 1.00 0.00 C ATOM 367 O3' DT B 6 15.500 -0.721 20.366 1.00 0.00 O ATOM 368 C2' DT B 6 13.809 -1.058 18.629 1.00 0.00 C ATOM 369 C1' DT B 6 13.506 -0.146 17.421 1.00 0.00 C ATOM 370 N1 DT B 6 12.868 -0.867 16.284 1.00 0.00 N ATOM 371 C2 DT B 6 11.492 -0.840 16.147 1.00 0.00 C ATOM 372 O2 DT B 6 10.766 -0.308 16.985 1.00 0.00 O ATOM 373 N3 DT B 6 10.884 -1.429 15.093 1.00 0.00 N ATOM 374 C4 DT B 6 11.536 -2.102 14.114 1.00 0.00 C ATOM 375 O4 DT B 6 10.897 -2.643 13.214 1.00 0.00 O ATOM 376 C5 DT B 6 13.095 -2.180 14.211 1.00 0.00 C ATOM 377 C7 DT B 6 13.897 -2.943 13.171 1.00 0.00 C ATOM 378 C6 DT B 6 13.694 -1.567 15.263 1.00 0.00 C ATOM 0 H5' DT B 6 17.040 1.808 17.336 1.00 0.00 H new ATOM 0 H5'' DT B 6 17.529 1.136 18.879 1.00 0.00 H new ATOM 0 H4' DT B 6 15.270 1.375 18.921 1.00 0.00 H new ATOM 0 H3' DT B 6 15.952 -1.574 18.628 1.00 0.00 H new ATOM 0 H2' DT B 6 13.647 -2.108 18.384 1.00 0.00 H new ATOM 0 H2'' DT B 6 13.162 -0.824 19.474 1.00 0.00 H new ATOM 0 HO3' DT B 6 15.317 -1.597 20.766 1.00 0.00 H new ATOM 0 H1' DT B 6 12.770 0.614 17.685 1.00 0.00 H new ATOM 0 H3 DT B 6 9.868 -1.363 15.031 1.00 0.00 H new ATOM 0 H71 DT B 6 14.881 -2.486 13.063 1.00 0.00 H new ATOM 0 H72 DT B 6 14.011 -3.980 13.488 1.00 0.00 H new ATOM 0 H73 DT B 6 13.375 -2.912 12.214 1.00 0.00 H new ATOM 0 H6 DT B 6 14.770 -1.587 15.359 1.00 0.00 H new TER 392 DT B 6 ATOM 393 O5' DT E 1 20.207 6.953 -1.153 1.00 0.00 O ATOM 394 C5' DT E 1 19.521 6.816 0.092 1.00 0.00 C ATOM 395 C4' DT E 1 19.464 8.149 0.858 1.00 0.00 C ATOM 396 O4' DT E 1 18.667 9.139 0.157 1.00 0.00 O ATOM 397 C3' DT E 1 18.832 8.012 2.243 1.00 0.00 C ATOM 398 O3' DT E 1 19.796 7.700 3.255 1.00 0.00 O ATOM 399 C2' DT E 1 18.322 9.417 2.481 1.00 0.00 C ATOM 400 C1' DT E 1 17.868 9.901 1.104 1.00 0.00 C ATOM 401 N1 DT E 1 16.394 9.798 0.864 1.00 0.00 N ATOM 402 C2 DT E 1 15.516 10.564 1.622 1.00 0.00 C ATOM 403 O2 DT E 1 15.902 11.373 2.463 1.00 0.00 O ATOM 404 N3 DT E 1 14.178 10.484 1.424 1.00 0.00 N ATOM 405 C4 DT E 1 13.593 9.736 0.469 1.00 0.00 C ATOM 406 O4 DT E 1 12.376 9.823 0.327 1.00 0.00 O ATOM 407 C5 DT E 1 14.516 8.870 -0.445 1.00 0.00 C ATOM 408 C7 DT E 1 13.936 8.010 -1.550 1.00 0.00 C ATOM 409 C6 DT E 1 15.851 8.895 -0.189 1.00 0.00 C ATOM 0 H5' DT E 1 20.022 6.066 0.703 1.00 0.00 H new ATOM 0 H5'' DT E 1 18.508 6.456 -0.088 1.00 0.00 H new ATOM 0 H4' DT E 1 20.506 8.457 0.942 1.00 0.00 H new ATOM 0 H3' DT E 1 18.087 7.217 2.285 1.00 0.00 H new ATOM 0 H2' DT E 1 17.498 9.424 3.195 1.00 0.00 H new ATOM 0 H2'' DT E 1 19.103 10.058 2.889 1.00 0.00 H new ATOM 0 HO5' DT E 1 20.226 6.088 -1.613 1.00 0.00 H new ATOM 0 H1' DT E 1 18.031 10.974 0.998 1.00 0.00 H new ATOM 0 H3 DT E 1 13.573 11.027 2.040 1.00 0.00 H new ATOM 0 H71 DT E 1 14.659 7.924 -2.361 1.00 0.00 H new ATOM 0 H72 DT E 1 13.710 7.018 -1.159 1.00 0.00 H new ATOM 0 H73 DT E 1 13.021 8.469 -1.926 1.00 0.00 H new ATOM 0 H6 DT E 1 16.519 8.259 -0.750 1.00 0.00 H new ATOM 423 P DG E 2 19.363 6.947 4.628 1.00 0.00 P ATOM 424 OP1 DG E 2 20.075 5.601 4.624 1.00 0.00 O ATOM 425 OP2 DG E 2 17.844 6.812 4.644 1.00 0.00 O ATOM 426 O5' DG E 2 19.848 7.853 5.885 1.00 0.00 O ATOM 427 C5' DG E 2 19.795 9.296 5.926 1.00 0.00 C ATOM 428 C4' DG E 2 18.915 9.909 7.047 1.00 0.00 C ATOM 429 O4' DG E 2 17.837 10.721 6.510 1.00 0.00 O ATOM 430 C3' DG E 2 18.292 8.953 8.068 1.00 0.00 C ATOM 431 O3' DG E 2 19.188 8.789 9.177 1.00 0.00 O ATOM 432 C2' DG E 2 17.050 9.702 8.523 1.00 0.00 C ATOM 433 C1' DG E 2 16.658 10.583 7.337 1.00 0.00 C ATOM 434 N9 DG E 2 15.508 10.032 6.560 1.00 0.00 N ATOM 435 C8 DG E 2 15.498 9.126 5.504 1.00 0.00 C ATOM 436 N7 DG E 2 14.324 8.709 4.923 1.00 0.00 N ATOM 437 C5 DG E 2 13.463 9.371 5.773 1.00 0.00 C ATOM 438 C6 DG E 2 11.914 9.395 5.712 1.00 0.00 C ATOM 439 O6 DG E 2 11.263 8.774 4.883 1.00 0.00 O ATOM 440 N1 DG E 2 11.300 10.203 6.610 1.00 0.00 N ATOM 441 C2 DG E 2 12.035 11.015 7.552 1.00 0.00 C ATOM 442 N2 DG E 2 11.351 11.860 8.374 1.00 0.00 N ATOM 443 N3 DG E 2 13.324 11.018 7.602 1.00 0.00 N ATOM 444 C4 DG E 2 14.134 10.183 6.744 1.00 0.00 C ATOM 0 H5' DG E 2 19.427 9.654 4.965 1.00 0.00 H new ATOM 0 H5'' DG E 2 20.811 9.675 6.040 1.00 0.00 H new ATOM 0 H4' DG E 2 19.656 10.496 7.589 1.00 0.00 H new ATOM 0 H3' DG E 2 18.080 7.962 7.667 1.00 0.00 H new ATOM 0 H2' DG E 2 16.247 9.012 8.784 1.00 0.00 H new ATOM 0 H2'' DG E 2 17.255 10.303 9.409 1.00 0.00 H new ATOM 0 H1' DG E 2 16.314 11.553 7.698 1.00 0.00 H new ATOM 0 H8 DG E 2 16.436 8.741 5.132 1.00 0.00 H new ATOM 0 H1 DG E 2 10.281 10.239 6.621 1.00 0.00 H new ATOM 0 H21 DG E 2 11.856 12.440 9.044 1.00 0.00 H new ATOM 0 H22 DG E 2 10.334 11.913 8.319 1.00 0.00 H new ATOM 456 P DG E 3 19.156 7.473 10.124 1.00 0.00 P ATOM 457 OP1 DG E 3 20.609 7.126 10.461 1.00 0.00 O ATOM 458 OP2 DG E 3 18.429 6.332 9.438 1.00 0.00 O ATOM 459 O5' DG E 3 18.382 7.839 11.480 1.00 0.00 O ATOM 460 C5' DG E 3 18.427 9.103 12.160 1.00 0.00 C ATOM 461 C4' DG E 3 17.091 9.339 12.897 1.00 0.00 C ATOM 462 O4' DG E 3 16.041 9.559 11.916 1.00 0.00 O ATOM 463 C3' DG E 3 16.661 8.149 13.781 1.00 0.00 C ATOM 464 O3' DG E 3 16.073 8.591 15.019 1.00 0.00 O ATOM 465 C2' DG E 3 15.589 7.505 12.921 1.00 0.00 C ATOM 466 C1' DG E 3 14.928 8.712 12.254 1.00 0.00 C ATOM 467 N9 DG E 3 14.115 8.348 11.056 1.00 0.00 N ATOM 468 C8 DG E 3 14.408 7.474 10.013 1.00 0.00 C ATOM 469 N7 DG E 3 13.445 7.053 9.133 1.00 0.00 N ATOM 470 C5 DG E 3 12.386 7.721 9.702 1.00 0.00 C ATOM 471 C6 DG E 3 10.902 7.637 9.281 1.00 0.00 C ATOM 472 O6 DG E 3 10.512 6.946 8.348 1.00 0.00 O ATOM 473 N1 DG E 3 10.041 8.403 9.993 1.00 0.00 N ATOM 474 C2 DG E 3 10.478 9.260 11.075 1.00 0.00 C ATOM 475 N2 DG E 3 9.563 10.065 11.696 1.00 0.00 N ATOM 476 N3 DG E 3 11.706 9.309 11.457 1.00 0.00 N ATOM 477 C4 DG E 3 12.752 8.535 10.821 1.00 0.00 C ATOM 0 H5' DG E 3 18.607 9.906 11.445 1.00 0.00 H new ATOM 0 H5'' DG E 3 19.254 9.117 12.870 1.00 0.00 H new ATOM 0 H4' DG E 3 17.243 10.202 13.545 1.00 0.00 H new ATOM 0 H3' DG E 3 17.491 7.500 14.059 1.00 0.00 H new ATOM 0 H2' DG E 3 16.015 6.819 12.188 1.00 0.00 H new ATOM 0 H2'' DG E 3 14.879 6.933 13.518 1.00 0.00 H new ATOM 0 H1' DG E 3 14.206 9.197 12.911 1.00 0.00 H new ATOM 0 H8 DG E 3 15.421 7.118 9.894 1.00 0.00 H new ATOM 0 H1 DG E 3 9.049 8.375 9.758 1.00 0.00 H new ATOM 0 H21 DG E 3 9.855 10.674 12.460 1.00 0.00 H new ATOM 0 H22 DG E 3 8.588 10.056 11.395 1.00 0.00 H new ATOM 489 P DG E 4 16.136 7.653 16.333 1.00 0.00 P ATOM 490 OP1 DG E 4 17.466 7.926 17.048 1.00 0.00 O ATOM 491 OP2 DG E 4 16.031 6.183 15.951 1.00 0.00 O ATOM 492 O5' DG E 4 14.927 8.001 17.328 1.00 0.00 O ATOM 493 C5' DG E 4 14.429 9.317 17.629 1.00 0.00 C ATOM 494 C4' DG E 4 12.902 9.261 17.874 1.00 0.00 C ATOM 495 O4' DG E 4 12.232 9.152 16.594 1.00 0.00 O ATOM 496 C3' DG E 4 12.448 8.064 18.742 1.00 0.00 C ATOM 497 O3' DG E 4 11.403 8.422 19.670 1.00 0.00 O ATOM 498 C2' DG E 4 11.896 7.112 17.692 1.00 0.00 C ATOM 499 C1' DG E 4 11.312 8.058 16.642 1.00 0.00 C ATOM 500 N9 DG E 4 11.182 7.415 15.305 1.00 0.00 N ATOM 501 C8 DG E 4 12.145 6.799 14.516 1.00 0.00 C ATOM 502 N7 DG E 4 11.805 6.084 13.394 1.00 0.00 N ATOM 503 C5 DG E 4 10.445 6.297 13.460 1.00 0.00 C ATOM 504 C6 DG E 4 9.358 5.735 12.513 1.00 0.00 C ATOM 505 O6 DG E 4 9.611 5.007 11.562 1.00 0.00 O ATOM 506 N1 DG E 4 8.082 6.090 12.801 1.00 0.00 N ATOM 507 C2 DG E 4 7.749 6.927 13.935 1.00 0.00 C ATOM 508 N2 DG E 4 6.448 7.215 14.195 1.00 0.00 N ATOM 509 N3 DG E 4 8.642 7.393 14.733 1.00 0.00 N ATOM 510 C4 DG E 4 10.046 7.108 14.571 1.00 0.00 C ATOM 0 H5' DG E 4 14.649 9.995 16.805 1.00 0.00 H new ATOM 0 H5'' DG E 4 14.933 9.713 18.511 1.00 0.00 H new ATOM 0 H4' DG E 4 12.643 10.172 18.413 1.00 0.00 H new ATOM 0 H3' DG E 4 13.252 7.663 19.358 1.00 0.00 H new ATOM 0 H2' DG E 4 12.676 6.477 17.273 1.00 0.00 H new ATOM 0 H2'' DG E 4 11.135 6.451 18.107 1.00 0.00 H new ATOM 0 H1' DG E 4 10.300 8.366 16.906 1.00 0.00 H new ATOM 0 H8 DG E 4 13.186 6.884 14.791 1.00 0.00 H new ATOM 0 H1 DG E 4 7.330 5.756 12.198 1.00 0.00 H new ATOM 0 H21 DG E 4 6.205 7.804 14.992 1.00 0.00 H new ATOM 0 H22 DG E 4 5.713 6.843 13.594 1.00 0.00 H new ATOM 522 P DG E 5 11.091 7.540 20.996 1.00 0.00 P ATOM 523 OP1 DG E 5 11.456 8.364 22.240 1.00 0.00 O ATOM 524 OP2 DG E 5 11.915 6.252 21.018 1.00 0.00 O ATOM 525 O5' DG E 5 9.530 7.141 21.054 1.00 0.00 O ATOM 526 C5' DG E 5 8.421 7.994 20.691 1.00 0.00 C ATOM 527 C4' DG E 5 7.223 7.149 20.192 1.00 0.00 C ATOM 528 O4' DG E 5 7.420 6.809 18.790 1.00 0.00 O ATOM 529 C3' DG E 5 6.986 5.823 20.966 1.00 0.00 C ATOM 530 O3' DG E 5 5.580 5.599 21.243 1.00 0.00 O ATOM 531 C2' DG E 5 7.484 4.801 19.946 1.00 0.00 C ATOM 532 C1' DG E 5 7.045 5.438 18.630 1.00 0.00 C ATOM 533 N9 DG E 5 7.650 4.805 17.421 1.00 0.00 N ATOM 534 C8 DG E 5 8.970 4.521 17.092 1.00 0.00 C ATOM 535 N7 DG E 5 9.297 3.776 15.982 1.00 0.00 N ATOM 536 C5 DG E 5 8.009 3.602 15.510 1.00 0.00 C ATOM 537 C6 DG E 5 7.558 2.827 14.244 1.00 0.00 C ATOM 538 O6 DG E 5 8.331 2.217 13.517 1.00 0.00 O ATOM 539 N1 DG E 5 6.226 2.834 13.989 1.00 0.00 N ATOM 540 C2 DG E 5 5.278 3.511 14.848 1.00 0.00 C ATOM 541 N2 DG E 5 3.949 3.494 14.541 1.00 0.00 N ATOM 542 N3 DG E 5 5.635 4.121 15.921 1.00 0.00 N ATOM 543 C4 DG E 5 7.014 4.224 16.331 1.00 0.00 C ATOM 0 H5' DG E 5 8.731 8.691 19.912 1.00 0.00 H new ATOM 0 H5'' DG E 5 8.118 8.591 21.551 1.00 0.00 H new ATOM 0 H4' DG E 5 6.347 7.776 20.357 1.00 0.00 H new ATOM 0 H3' DG E 5 7.476 5.793 21.939 1.00 0.00 H new ATOM 0 H2' DG E 5 8.565 4.667 19.995 1.00 0.00 H new ATOM 0 H2'' DG E 5 7.034 3.820 20.096 1.00 0.00 H new ATOM 0 H1' DG E 5 5.979 5.307 18.447 1.00 0.00 H new ATOM 0 H8 DG E 5 9.761 4.895 17.725 1.00 0.00 H new ATOM 0 H1 DG E 5 5.880 2.345 13.163 1.00 0.00 H new ATOM 0 H21 DG E 5 3.280 3.971 15.145 1.00 0.00 H new ATOM 0 H22 DG E 5 3.625 3.005 13.707 1.00 0.00 H new ATOM 555 P DT E 6 5.032 4.769 22.527 1.00 0.00 P ATOM 556 OP1 DT E 6 4.212 5.702 23.430 1.00 0.00 O ATOM 557 OP2 DT E 6 6.168 4.172 23.360 1.00 0.00 O ATOM 558 O5' DT E 6 4.069 3.561 22.044 1.00 0.00 O ATOM 559 C5' DT E 6 2.808 3.784 21.381 1.00 0.00 C ATOM 560 C4' DT E 6 2.501 2.684 20.350 1.00 0.00 C ATOM 561 O4' DT E 6 3.465 2.701 19.291 1.00 0.00 O ATOM 562 C3' DT E 6 2.536 1.237 20.857 1.00 0.00 C ATOM 563 O3' DT E 6 1.310 0.849 21.470 1.00 0.00 O ATOM 564 C2' DT E 6 2.780 0.443 19.572 1.00 0.00 C ATOM 565 C1' DT E 6 3.349 1.465 18.567 1.00 0.00 C ATOM 566 N1 DT E 6 4.642 1.045 17.963 1.00 0.00 N ATOM 567 C2 DT E 6 4.648 0.433 16.721 1.00 0.00 C ATOM 568 O2 DT E 6 3.613 0.204 16.101 1.00 0.00 O ATOM 569 N3 DT E 6 5.806 0.036 16.150 1.00 0.00 N ATOM 570 C4 DT E 6 7.024 0.174 16.717 1.00 0.00 C ATOM 571 O4 DT E 6 8.003 -0.279 16.128 1.00 0.00 O ATOM 572 C5 DT E 6 7.098 0.868 18.116 1.00 0.00 C ATOM 573 C7 DT E 6 8.434 1.056 18.815 1.00 0.00 C ATOM 574 C6 DT E 6 5.929 1.275 18.677 1.00 0.00 C ATOM 0 H5' DT E 6 2.826 4.754 20.883 1.00 0.00 H new ATOM 0 H5'' DT E 6 2.009 3.821 22.122 1.00 0.00 H new ATOM 0 H4' DT E 6 1.482 2.931 20.053 1.00 0.00 H new ATOM 0 H3' DT E 6 3.290 1.078 21.628 1.00 0.00 H new ATOM 0 H2' DT E 6 3.481 -0.375 19.741 1.00 0.00 H new ATOM 0 H2'' DT E 6 1.856 -0.001 19.202 1.00 0.00 H new ATOM 0 HO3' DT E 6 1.377 -0.080 21.776 1.00 0.00 H new ATOM 0 H1' DT E 6 2.684 1.562 17.709 1.00 0.00 H new ATOM 0 H3 DT E 6 5.757 -0.397 15.228 1.00 0.00 H new ATOM 0 H71 DT E 6 8.397 1.951 19.436 1.00 0.00 H new ATOM 0 H72 DT E 6 8.642 0.188 19.441 1.00 0.00 H new ATOM 0 H73 DT E 6 9.222 1.164 18.070 1.00 0.00 H new ATOM 0 H6 DT E 6 5.933 1.765 19.640 1.00 0.00 H new TER 588 DT E 6 ATOM 589 O5' DT F 1 -0.556 15.385 4.625 1.00 0.00 O ATOM 590 C5' DT F 1 -0.219 14.018 4.852 1.00 0.00 C ATOM 591 C4' DT F 1 -0.195 13.263 3.512 1.00 0.00 C ATOM 592 O4' DT F 1 0.791 13.831 2.608 1.00 0.00 O ATOM 593 C3' DT F 1 0.159 11.781 3.646 1.00 0.00 C ATOM 594 O3' DT F 1 -0.999 10.958 3.832 1.00 0.00 O ATOM 595 C2' DT F 1 0.749 11.491 2.283 1.00 0.00 C ATOM 596 C1' DT F 1 1.524 12.766 1.937 1.00 0.00 C ATOM 597 N1 DT F 1 2.979 12.735 2.295 1.00 0.00 N ATOM 598 C2 DT F 1 3.822 11.812 1.683 1.00 0.00 C ATOM 599 O2 DT F 1 3.428 11.036 0.817 1.00 0.00 O ATOM 600 N3 DT F 1 5.142 11.770 1.988 1.00 0.00 N ATOM 601 C4 DT F 1 5.759 12.628 2.823 1.00 0.00 C ATOM 602 O4 DT F 1 6.979 12.555 2.937 1.00 0.00 O ATOM 603 C5 DT F 1 4.887 13.717 3.521 1.00 0.00 C ATOM 604 C7 DT F 1 5.510 14.734 4.456 1.00 0.00 C ATOM 605 C6 DT F 1 3.551 13.703 3.272 1.00 0.00 C ATOM 0 H5' DT F 1 -0.944 13.561 5.525 1.00 0.00 H new ATOM 0 H5'' DT F 1 0.754 13.949 5.337 1.00 0.00 H new ATOM 0 H4' DT F 1 -1.211 13.362 3.130 1.00 0.00 H new ATOM 0 H3' DT F 1 0.805 11.579 4.500 1.00 0.00 H new ATOM 0 H2' DT F 1 1.404 10.620 2.308 1.00 0.00 H new ATOM 0 H2'' DT F 1 -0.028 11.284 1.547 1.00 0.00 H new ATOM 0 HO5' DT F 1 -0.572 15.864 5.480 1.00 0.00 H new ATOM 0 H1' DT F 1 1.569 12.908 0.857 1.00 0.00 H new ATOM 0 H3 DT F 1 5.707 11.039 1.556 1.00 0.00 H new ATOM 0 H71 DT F 1 4.938 15.661 4.419 1.00 0.00 H new ATOM 0 H72 DT F 1 5.503 14.344 5.474 1.00 0.00 H new ATOM 0 H73 DT F 1 6.537 14.929 4.149 1.00 0.00 H new ATOM 0 H6 DT F 1 2.901 14.397 3.785 1.00 0.00 H new ATOM 619 P DG F 2 -0.925 9.572 4.674 1.00 0.00 P ATOM 620 OP1 DG F 2 -1.877 9.716 5.854 1.00 0.00 O ATOM 621 OP2 DG F 2 0.511 9.336 5.120 1.00 0.00 O ATOM 622 O5' DG F 2 -1.406 8.345 3.732 1.00 0.00 O ATOM 623 C5' DG F 2 -1.311 8.308 2.294 1.00 0.00 C ATOM 624 C4' DG F 2 -0.462 7.145 1.721 1.00 0.00 C ATOM 625 O4' DG F 2 0.801 7.602 1.182 1.00 0.00 O ATOM 626 C3' DG F 2 -0.186 5.939 2.631 1.00 0.00 C ATOM 627 O3' DG F 2 -1.270 4.998 2.453 1.00 0.00 O ATOM 628 C2' DG F 2 1.147 5.419 2.092 1.00 0.00 C ATOM 629 C1' DG F 2 1.814 6.592 1.372 1.00 0.00 C ATOM 630 N9 DG F 2 2.979 7.142 2.116 1.00 0.00 N ATOM 631 C8 DG F 2 3.021 8.127 3.096 1.00 0.00 C ATOM 632 N7 DG F 2 4.207 8.527 3.659 1.00 0.00 N ATOM 633 C5 DG F 2 5.029 7.641 2.998 1.00 0.00 C ATOM 634 C6 DG F 2 6.574 7.558 3.074 1.00 0.00 C ATOM 635 O6 DG F 2 7.254 8.289 3.780 1.00 0.00 O ATOM 636 N1 DG F 2 7.159 6.653 2.253 1.00 0.00 N ATOM 637 C2 DG F 2 6.400 5.837 1.335 1.00 0.00 C ATOM 638 N2 DG F 2 7.061 4.983 0.505 1.00 0.00 N ATOM 639 N3 DG F 2 5.117 5.925 1.230 1.00 0.00 N ATOM 640 C4 DG F 2 4.332 6.808 2.065 1.00 0.00 C ATOM 0 H5' DG F 2 -0.887 9.251 1.949 1.00 0.00 H new ATOM 0 H5'' DG F 2 -2.317 8.241 1.880 1.00 0.00 H new ATOM 0 H4' DG F 2 -1.128 6.774 0.942 1.00 0.00 H new ATOM 0 H3' DG F 2 -0.129 6.145 3.700 1.00 0.00 H new ATOM 0 H2' DG F 2 1.777 5.053 2.903 1.00 0.00 H new ATOM 0 H2'' DG F 2 0.990 4.584 1.409 1.00 0.00 H new ATOM 0 H1' DG F 2 2.217 6.248 0.419 1.00 0.00 H new ATOM 0 H8 DG F 2 2.100 8.588 3.422 1.00 0.00 H new ATOM 0 H1 DG F 2 8.173 6.544 2.285 1.00 0.00 H new ATOM 0 H21 DG F 2 6.538 4.400 -0.149 1.00 0.00 H new ATOM 0 H22 DG F 2 8.079 4.926 0.537 1.00 0.00 H new ATOM 652 P DG F 3 -1.233 3.454 2.923 1.00 0.00 P ATOM 653 OP1 DG F 3 -2.676 2.956 3.035 1.00 0.00 O ATOM 654 OP2 DG F 3 -0.465 3.301 4.222 1.00 0.00 O ATOM 655 O5' DG F 3 -0.536 2.625 1.709 1.00 0.00 O ATOM 656 C5' DG F 3 -0.309 1.196 1.736 1.00 0.00 C ATOM 657 C4' DG F 3 1.024 0.763 2.396 1.00 0.00 C ATOM 658 O4' DG F 3 2.046 1.784 2.402 1.00 0.00 O ATOM 659 C3' DG F 3 0.870 0.302 3.853 1.00 0.00 C ATOM 660 O3' DG F 3 0.563 -1.112 3.942 1.00 0.00 O ATOM 661 C2' DG F 3 2.159 0.767 4.529 1.00 0.00 C ATOM 662 C1' DG F 3 3.010 1.374 3.394 1.00 0.00 C ATOM 663 N9 DG F 3 3.860 2.525 3.842 1.00 0.00 N ATOM 664 C8 DG F 3 3.548 3.561 4.718 1.00 0.00 C ATOM 665 N7 DG F 3 4.519 4.340 5.294 1.00 0.00 N ATOM 666 C5 DG F 3 5.601 3.741 4.690 1.00 0.00 C ATOM 667 C6 DG F 3 7.094 4.089 4.897 1.00 0.00 C ATOM 668 O6 DG F 3 7.479 4.949 5.679 1.00 0.00 O ATOM 669 N1 DG F 3 7.975 3.399 4.135 1.00 0.00 N ATOM 670 C2 DG F 3 7.551 2.408 3.167 1.00 0.00 C ATOM 671 N2 DG F 3 8.490 1.812 2.370 1.00 0.00 N ATOM 672 N3 DG F 3 6.316 2.085 3.014 1.00 0.00 N ATOM 673 C4 DG F 3 5.245 2.700 3.771 1.00 0.00 C ATOM 0 H5' DG F 3 -0.331 0.819 0.713 1.00 0.00 H new ATOM 0 H5'' DG F 3 -1.133 0.721 2.269 1.00 0.00 H new ATOM 0 H4' DG F 3 1.330 -0.067 1.759 1.00 0.00 H new ATOM 0 H3' DG F 3 0.015 0.735 4.372 1.00 0.00 H new ATOM 0 H2' DG F 3 1.954 1.504 5.305 1.00 0.00 H new ATOM 0 H2'' DG F 3 2.676 -0.065 5.008 1.00 0.00 H new ATOM 0 H1' DG F 3 3.729 0.649 3.012 1.00 0.00 H new ATOM 0 H8 DG F 3 2.512 3.757 4.951 1.00 0.00 H new ATOM 0 H1 DG F 3 8.972 3.583 4.246 1.00 0.00 H new ATOM 0 H21 DG F 3 8.207 1.112 1.684 1.00 0.00 H new ATOM 0 H22 DG F 3 9.473 2.067 2.462 1.00 0.00 H new ATOM 685 P DG F 4 1.588 -2.362 3.827 1.00 0.00 P ATOM 686 OP1 DG F 4 0.751 -3.626 3.589 1.00 0.00 O ATOM 687 OP2 DG F 4 2.402 -2.481 5.110 1.00 0.00 O ATOM 688 O5' DG F 4 2.565 -2.157 2.545 1.00 0.00 O ATOM 689 C5' DG F 4 3.330 -3.221 1.926 1.00 0.00 C ATOM 690 C4' DG F 4 4.766 -3.378 2.473 1.00 0.00 C ATOM 691 O4' DG F 4 5.384 -2.110 2.775 1.00 0.00 O ATOM 692 C3' DG F 4 4.881 -4.246 3.733 1.00 0.00 C ATOM 693 O3' DG F 4 5.052 -5.639 3.389 1.00 0.00 O ATOM 694 C2' DG F 4 6.101 -3.657 4.432 1.00 0.00 C ATOM 695 C1' DG F 4 6.450 -2.351 3.704 1.00 0.00 C ATOM 696 N9 DG F 4 6.592 -1.220 4.662 1.00 0.00 N ATOM 697 C8 DG F 4 5.620 -0.599 5.433 1.00 0.00 C ATOM 698 N7 DG F 4 5.943 0.322 6.401 1.00 0.00 N ATOM 699 C5 DG F 4 7.311 0.270 6.231 1.00 0.00 C ATOM 700 C6 DG F 4 8.386 1.049 7.024 1.00 0.00 C ATOM 701 O6 DG F 4 8.115 1.842 7.918 1.00 0.00 O ATOM 702 N1 DG F 4 9.673 0.803 6.673 1.00 0.00 N ATOM 703 C2 DG F 4 10.025 -0.128 5.619 1.00 0.00 C ATOM 704 N2 DG F 4 11.335 -0.325 5.295 1.00 0.00 N ATOM 705 N3 DG F 4 9.142 -0.785 4.959 1.00 0.00 N ATOM 706 C4 DG F 4 7.727 -0.641 5.205 1.00 0.00 C ATOM 0 H5' DG F 4 3.381 -3.038 0.853 1.00 0.00 H new ATOM 0 H5'' DG F 4 2.797 -4.162 2.063 1.00 0.00 H new ATOM 0 H4' DG F 4 5.282 -3.880 1.655 1.00 0.00 H new ATOM 0 H3' DG F 4 3.993 -4.233 4.365 1.00 0.00 H new ATOM 0 H2' DG F 4 5.888 -3.467 5.484 1.00 0.00 H new ATOM 0 H2'' DG F 4 6.939 -4.353 4.397 1.00 0.00 H new ATOM 0 H1' DG F 4 7.407 -2.435 3.190 1.00 0.00 H new ATOM 0 H8 DG F 4 4.582 -0.846 5.268 1.00 0.00 H new ATOM 0 H1 DG F 4 10.420 1.290 7.168 1.00 0.00 H new ATOM 0 H21 DG F 4 11.584 -0.980 4.554 1.00 0.00 H new ATOM 0 H22 DG F 4 12.066 0.182 5.794 1.00 0.00 H new ATOM 718 P DG F 5 5.103 -6.845 4.479 1.00 0.00 P ATOM 719 OP1 DG F 5 4.448 -8.098 3.878 1.00 0.00 O ATOM 720 OP2 DG F 5 4.388 -6.488 5.778 1.00 0.00 O ATOM 721 O5' DG F 5 6.636 -7.192 4.838 1.00 0.00 O ATOM 722 C5' DG F 5 7.750 -7.102 3.921 1.00 0.00 C ATOM 723 C4' DG F 5 9.058 -6.823 4.697 1.00 0.00 C ATOM 724 O4' DG F 5 9.056 -5.444 5.166 1.00 0.00 O ATOM 725 C3' DG F 5 9.264 -7.733 5.935 1.00 0.00 C ATOM 726 O3' DG F 5 10.651 -8.101 6.119 1.00 0.00 O ATOM 727 C2' DG F 5 8.875 -6.785 7.072 1.00 0.00 C ATOM 728 C1' DG F 5 9.407 -5.450 6.553 1.00 0.00 C ATOM 729 N9 DG F 5 8.904 -4.259 7.298 1.00 0.00 N ATOM 730 C8 DG F 5 7.611 -3.877 7.635 1.00 0.00 C ATOM 731 N7 DG F 5 7.373 -2.844 8.509 1.00 0.00 N ATOM 732 C5 DG F 5 8.687 -2.505 8.749 1.00 0.00 C ATOM 733 C6 DG F 5 9.223 -1.495 9.798 1.00 0.00 C ATOM 734 O6 DG F 5 8.500 -0.837 10.534 1.00 0.00 O ATOM 735 N1 DG F 5 10.572 -1.408 9.902 1.00 0.00 N ATOM 736 C2 DG F 5 11.462 -2.213 9.097 1.00 0.00 C ATOM 737 N2 DG F 5 12.813 -2.065 9.226 1.00 0.00 N ATOM 738 N3 DG F 5 11.033 -3.089 8.258 1.00 0.00 N ATOM 739 C4 DG F 5 9.622 -3.314 8.026 1.00 0.00 C ATOM 0 H5' DG F 5 7.571 -6.307 3.197 1.00 0.00 H new ATOM 0 H5'' DG F 5 7.843 -8.031 3.358 1.00 0.00 H new ATOM 0 H4' DG F 5 9.868 -7.026 3.996 1.00 0.00 H new ATOM 0 H3' DG F 5 8.704 -8.666 5.865 1.00 0.00 H new ATOM 0 H2' DG F 5 7.798 -6.761 7.235 1.00 0.00 H new ATOM 0 H2'' DG F 5 9.335 -7.070 8.018 1.00 0.00 H new ATOM 0 H1' DG F 5 10.483 -5.367 6.704 1.00 0.00 H new ATOM 0 H8 DG F 5 6.775 -4.404 7.200 1.00 0.00 H new ATOM 0 H1 DG F 5 10.973 -0.751 10.572 1.00 0.00 H new ATOM 0 H21 DG F 5 13.444 -2.631 8.660 1.00 0.00 H new ATOM 0 H22 DG F 5 13.191 -1.388 9.889 1.00 0.00 H new ATOM 751 P DT F 6 11.341 -9.474 5.615 1.00 0.00 P ATOM 752 OP1 DT F 6 12.117 -9.283 4.312 1.00 0.00 O ATOM 753 OP2 DT F 6 10.302 -10.582 5.397 1.00 0.00 O ATOM 754 O5' DT F 6 12.365 -10.006 6.761 1.00 0.00 O ATOM 755 C5' DT F 6 11.887 -10.594 7.987 1.00 0.00 C ATOM 756 C4' DT F 6 12.316 -9.772 9.215 1.00 0.00 C ATOM 757 O4' DT F 6 11.693 -8.481 9.231 1.00 0.00 O ATOM 758 C3' DT F 6 11.864 -10.367 10.554 1.00 0.00 C ATOM 759 O3' DT F 6 12.684 -11.447 10.986 1.00 0.00 O ATOM 760 C2' DT F 6 11.965 -9.166 11.492 1.00 0.00 C ATOM 761 C1' DT F 6 11.820 -7.944 10.559 1.00 0.00 C ATOM 762 N1 DT F 6 10.673 -7.038 10.860 1.00 0.00 N ATOM 763 C2 DT F 6 10.891 -5.679 11.038 1.00 0.00 C ATOM 764 O2 DT F 6 12.012 -5.178 10.990 1.00 0.00 O ATOM 765 N3 DT F 6 9.863 -4.841 11.305 1.00 0.00 N ATOM 766 C4 DT F 6 8.573 -5.223 11.423 1.00 0.00 C ATOM 767 O4 DT F 6 7.723 -4.389 11.724 1.00 0.00 O ATOM 768 C5 DT F 6 8.250 -6.738 11.222 1.00 0.00 C ATOM 769 C7 DT F 6 6.832 -7.262 11.347 1.00 0.00 C ATOM 770 C6 DT F 6 9.282 -7.567 10.919 1.00 0.00 C ATOM 0 H5' DT F 6 12.270 -11.610 8.077 1.00 0.00 H new ATOM 0 H5'' DT F 6 10.800 -10.665 7.958 1.00 0.00 H new ATOM 0 H4' DT F 6 13.402 -9.749 9.122 1.00 0.00 H new ATOM 0 H3' DT F 6 10.869 -10.808 10.507 1.00 0.00 H new ATOM 0 H2' DT F 6 11.181 -9.185 12.249 1.00 0.00 H new ATOM 0 H2'' DT F 6 12.918 -9.153 12.021 1.00 0.00 H new ATOM 0 HO3' DT F 6 12.353 -11.787 11.843 1.00 0.00 H new ATOM 0 H1' DT F 6 12.693 -7.306 10.694 1.00 0.00 H new ATOM 0 H3 DT F 6 10.077 -3.851 11.426 1.00 0.00 H new ATOM 0 H71 DT F 6 6.278 -6.647 12.057 1.00 0.00 H new ATOM 0 H72 DT F 6 6.343 -7.223 10.374 1.00 0.00 H new ATOM 0 H73 DT F 6 6.855 -8.293 11.700 1.00 0.00 H new ATOM 0 H6 DT F 6 9.094 -8.612 10.720 1.00 0.00 H new TER 784 DT F 6 HETATM 785 C1 DMY A 7 15.655 14.250 6.807 1.00 0.00 C HETATM 786 O1 DMY A 7 16.046 15.394 6.556 1.00 0.00 O HETATM 787 N1 DMY A 7 14.871 13.881 7.937 1.00 0.00 N HETATM 788 C2 DMY A 7 14.365 14.712 8.952 1.00 0.00 C HETATM 789 C3 DMY A 7 13.545 14.274 9.968 1.00 0.00 C HETATM 790 C4 DMY A 7 13.406 15.332 10.872 1.00 0.00 C HETATM 791 N2 DMY A 7 14.094 16.474 10.397 1.00 0.00 N HETATM 792 C5 DMY A 7 14.664 16.046 9.199 1.00 0.00 C HETATM 793 C6 DMY A 7 14.101 17.847 10.965 1.00 0.00 C HETATM 794 C7 DMY A 7 12.720 15.281 12.258 1.00 0.00 C HETATM 795 O2 DMY A 7 13.195 16.014 13.140 1.00 0.00 O HETATM 796 N3 DMY A 7 11.552 14.461 12.450 1.00 0.00 N HETATM 797 C8 DMY A 7 10.637 14.566 13.534 1.00 0.00 C HETATM 798 C9 DMY A 7 9.547 13.739 13.766 1.00 0.00 C HETATM 799 C10 DMY A 7 8.750 14.359 14.760 1.00 0.00 C HETATM 800 N4 DMY A 7 9.328 15.599 15.128 1.00 0.00 N HETATM 801 C11 DMY A 7 10.473 15.679 14.346 1.00 0.00 C HETATM 802 C12 DMY A 7 8.775 16.685 15.974 1.00 0.00 C HETATM 803 C13 DMY A 7 7.408 13.842 15.354 1.00 0.00 C HETATM 804 O3 DMY A 7 6.850 14.528 16.221 1.00 0.00 O HETATM 805 N5 DMY A 7 6.892 12.577 14.905 1.00 0.00 N HETATM 806 C14 DMY A 7 5.676 11.961 15.300 1.00 0.00 C HETATM 807 C15 DMY A 7 5.267 10.711 14.905 1.00 0.00 C HETATM 808 C16 DMY A 7 3.988 10.480 15.449 1.00 0.00 C HETATM 809 N6 DMY A 7 3.572 11.617 16.201 1.00 0.00 N HETATM 810 C17 DMY A 7 4.653 12.499 16.076 1.00 0.00 C HETATM 811 C18 DMY A 7 2.303 11.901 16.915 1.00 0.00 C HETATM 812 C19 DMY A 7 3.186 9.177 15.175 1.00 0.00 C HETATM 813 O4 DMY A 7 3.688 8.257 14.531 1.00 0.00 O HETATM 814 N7 DMY A 7 1.934 9.060 15.641 1.00 0.00 N HETATM 815 C20 DMY A 7 1.060 7.941 15.234 1.00 0.00 C HETATM 816 C21 DMY A 7 -0.139 7.777 16.186 1.00 0.00 C HETATM 817 C22 DMY A 7 -1.156 6.740 15.693 1.00 0.00 C HETATM 818 N8 DMY A 7 -0.971 5.447 15.904 1.00 0.00 N HETATM 819 N9 DMY A 7 -2.259 7.134 15.093 1.00 0.00 N HETATM 0 HN92 DMY A 7 -2.935 6.445 14.765 1.00 0.00 H new HETATM 0 HN91 DMY A 7 -2.437 8.129 14.956 1.00 0.00 H new HETATM 0 H212 DMY A 7 0.223 7.483 17.171 1.00 0.00 H new HETATM 0 H211 DMY A 7 -0.637 8.739 16.304 1.00 0.00 H new HETATM 0 H202 DMY A 7 0.698 8.112 14.220 1.00 0.00 H new HETATM 0 H201 DMY A 7 1.638 7.017 15.214 1.00 0.00 H new HETATM 0 H183 DMY A 7 1.475 11.880 16.207 1.00 0.00 H new HETATM 0 H182 DMY A 7 2.142 11.146 17.685 1.00 0.00 H new HETATM 0 H181 DMY A 7 2.359 12.886 17.378 1.00 0.00 H new HETATM 0 H123 DMY A 7 7.853 17.059 15.529 1.00 0.00 H new HETATM 0 H122 DMY A 7 8.566 16.299 16.972 1.00 0.00 H new HETATM 0 H121 DMY A 7 9.499 17.497 16.044 1.00 0.00 H new HETATM 0 HN8 DMY A 7 -1.387 4.914 15.140 1.00 0.00 H new HETATM 0 HN7 DMY A 7 1.577 9.760 16.291 1.00 0.00 H new HETATM 0 HN5 DMY A 7 7.462 12.067 14.230 1.00 0.00 H new HETATM 0 HN3 DMY A 7 11.365 13.744 11.749 1.00 0.00 H new HETATM 0 HN1 DMY A 7 14.649 12.889 8.021 1.00 0.00 H new HETATM 0 H9 DMY A 7 9.342 12.788 13.274 1.00 0.00 H new HETATM 0 H63 DMY A 7 13.085 18.242 10.974 1.00 0.00 H new HETATM 0 H62 DMY A 7 14.488 17.817 11.984 1.00 0.00 H new HETATM 0 H61 DMY A 7 14.735 18.490 10.355 1.00 0.00 H new HETATM 0 H5 DMY A 7 15.265 16.675 8.543 1.00 0.00 H new HETATM 0 H3 DMY A 7 13.090 13.287 10.052 1.00 0.00 H new HETATM 0 H17 DMY A 7 4.689 13.488 16.532 1.00 0.00 H new HETATM 0 H15 DMY A 7 5.832 10.019 14.281 1.00 0.00 H new HETATM 0 H11 DMY A 7 11.165 16.521 14.368 1.00 0.00 H new HETATM 0 H1 DMY A 7 15.932 13.460 6.109 1.00 0.00 H new HETATM 848 C1 DMY E 7 2.182 4.916 17.518 1.00 0.00 C HETATM 849 O1 DMY E 7 1.126 5.048 18.147 1.00 0.00 O HETATM 850 N1 DMY E 7 3.252 5.847 17.498 1.00 0.00 N HETATM 851 C2 DMY E 7 3.361 7.057 18.201 1.00 0.00 C HETATM 852 C3 DMY E 7 4.412 7.919 18.061 1.00 0.00 C HETATM 853 C4 DMY E 7 4.171 9.019 18.897 1.00 0.00 C HETATM 854 N2 DMY E 7 2.935 8.852 19.574 1.00 0.00 N HETATM 855 C5 DMY E 7 2.483 7.608 19.126 1.00 0.00 C HETATM 856 C6 DMY E 7 2.265 9.739 20.557 1.00 0.00 C HETATM 857 C7 DMY E 7 5.116 10.228 19.093 1.00 0.00 C HETATM 858 O2 DMY E 7 4.741 11.160 19.816 1.00 0.00 O HETATM 859 N3 DMY E 7 6.395 10.207 18.430 1.00 0.00 N HETATM 860 C8 DMY E 7 7.406 11.190 18.491 1.00 0.00 C HETATM 861 C9 DMY E 7 8.553 11.199 17.729 1.00 0.00 C HETATM 862 C10 DMY E 7 9.284 12.352 18.088 1.00 0.00 C HETATM 863 N4 DMY E 7 8.597 13.060 19.105 1.00 0.00 N HETATM 864 C11 DMY E 7 7.446 12.308 19.312 1.00 0.00 C HETATM 865 C12 DMY E 7 8.960 14.319 19.799 1.00 0.00 C HETATM 866 C13 DMY E 7 10.625 12.827 17.477 1.00 0.00 C HETATM 867 O3 DMY E 7 11.151 13.859 17.921 1.00 0.00 O HETATM 868 N5 DMY E 7 11.205 12.056 16.416 1.00 0.00 N HETATM 869 C14 DMY E 7 12.423 12.328 15.758 1.00 0.00 C HETATM 870 C15 DMY E 7 12.759 11.894 14.502 1.00 0.00 C HETATM 871 C16 DMY E 7 14.011 12.444 14.187 1.00 0.00 C HETATM 872 N6 DMY E 7 14.510 13.188 15.298 1.00 0.00 N HETATM 873 C17 DMY E 7 13.485 13.079 16.237 1.00 0.00 C HETATM 874 C18 DMY E 7 15.768 13.950 15.477 1.00 0.00 C HETATM 875 C19 DMY E 7 14.639 12.321 12.778 1.00 0.00 C HETATM 876 O4 DMY E 7 14.044 11.768 11.857 1.00 0.00 O HETATM 877 N7 DMY E 7 15.835 12.884 12.569 1.00 0.00 N HETATM 878 C20 DMY E 7 16.572 12.725 11.305 1.00 0.00 C HETATM 879 C21 DMY E 7 17.565 13.886 11.138 1.00 0.00 C HETATM 880 C22 DMY E 7 18.413 13.789 9.870 1.00 0.00 C HETATM 881 N8 DMY E 7 18.331 14.728 8.946 1.00 0.00 N HETATM 882 N9 DMY E 7 19.317 12.832 9.726 1.00 0.00 N HETATM 0 HN92 DMY E 7 19.875 12.781 8.873 1.00 0.00 H new HETATM 0 HN91 DMY E 7 19.456 12.146 10.468 1.00 0.00 H new HETATM 0 H212 DMY E 7 17.013 14.826 11.125 1.00 0.00 H new HETATM 0 H211 DMY E 7 18.225 13.916 12.005 1.00 0.00 H new HETATM 0 H202 DMY E 7 17.105 11.774 11.300 1.00 0.00 H new HETATM 0 H201 DMY E 7 15.876 12.705 10.466 1.00 0.00 H new HETATM 0 H183 DMY E 7 16.619 13.281 15.354 1.00 0.00 H new HETATM 0 H182 DMY E 7 15.821 14.745 14.733 1.00 0.00 H new HETATM 0 H181 DMY E 7 15.790 14.386 16.476 1.00 0.00 H new HETATM 0 H123 DMY E 7 9.915 14.191 20.309 1.00 0.00 H new HETATM 0 H122 DMY E 7 9.043 15.125 19.070 1.00 0.00 H new HETATM 0 H121 DMY E 7 8.189 14.568 20.529 1.00 0.00 H new HETATM 0 HN8 DMY E 7 18.961 14.504 8.176 1.00 0.00 H new HETATM 0 HN7 DMY E 7 16.251 13.444 13.313 1.00 0.00 H new HETATM 0 HN5 DMY E 7 10.688 11.233 16.108 1.00 0.00 H new HETATM 0 HN3 DMY E 7 6.592 9.390 17.852 1.00 0.00 H new HETATM 0 HN1 DMY E 7 4.041 5.607 16.898 1.00 0.00 H new HETATM 0 H9 DMY E 7 8.842 10.455 16.987 1.00 0.00 H new HETATM 0 H63 DMY E 7 2.910 9.872 21.426 1.00 0.00 H new HETATM 0 H62 DMY E 7 2.070 10.708 20.098 1.00 0.00 H new HETATM 0 H61 DMY E 7 1.323 9.289 20.870 1.00 0.00 H new HETATM 0 H5 DMY E 7 1.561 7.132 19.459 1.00 0.00 H new HETATM 0 H3 DMY E 7 5.280 7.777 17.417 1.00 0.00 H new HETATM 0 H17 DMY E 7 13.515 13.530 17.229 1.00 0.00 H new HETATM 0 H15 DMY E 7 12.163 11.241 13.865 1.00 0.00 H new HETATM 0 H11 DMY E 7 6.669 12.565 20.032 1.00 0.00 H new HETATM 0 H1 DMY E 7 2.301 4.007 16.929 1.00 0.00 H new HETATM 911 C1 DMY B 7 3.431 7.160 -2.159 1.00 0.00 C HETATM 912 O1 DMY B 7 3.155 7.529 -3.303 1.00 0.00 O HETATM 913 N1 DMY B 7 4.044 5.921 -1.821 1.00 0.00 N HETATM 914 C2 DMY B 7 4.521 4.921 -2.689 1.00 0.00 C HETATM 915 C3 DMY B 7 5.230 3.815 -2.277 1.00 0.00 C HETATM 916 C4 DMY B 7 5.482 3.035 -3.408 1.00 0.00 C HETATM 917 N2 DMY B 7 4.947 3.663 -4.562 1.00 0.00 N HETATM 918 C5 DMY B 7 4.376 4.836 -4.068 1.00 0.00 C HETATM 919 C6 DMY B 7 5.088 3.262 -5.988 1.00 0.00 C HETATM 920 C7 DMY B 7 6.205 1.666 -3.454 1.00 0.00 C HETATM 921 O2 DMY B 7 5.875 0.911 -4.378 1.00 0.00 O HETATM 922 N3 DMY B 7 7.220 1.336 -2.471 1.00 0.00 N HETATM 923 C8 DMY B 7 8.092 0.207 -2.531 1.00 0.00 C HETATM 924 C9 DMY B 7 9.029 -0.174 -1.576 1.00 0.00 C HETATM 925 C10 DMY B 7 9.747 -1.277 -2.109 1.00 0.00 C HETATM 926 N4 DMY B 7 9.267 -1.577 -3.408 1.00 0.00 N HETATM 927 C11 DMY B 7 8.264 -0.644 -3.619 1.00 0.00 C HETATM 928 C12 DMY B 7 9.748 -2.578 -4.394 1.00 0.00 C HETATM 929 C13 DMY B 7 10.936 -2.043 -1.462 1.00 0.00 C HETATM 930 O3 DMY B 7 11.500 -2.916 -2.135 1.00 0.00 O HETATM 931 N5 DMY B 7 11.327 -1.730 -0.115 1.00 0.00 N HETATM 932 C14 DMY B 7 12.437 -2.278 0.579 1.00 0.00 C HETATM 933 C15 DMY B 7 12.679 -2.143 1.929 1.00 0.00 C HETATM 934 C16 DMY B 7 13.937 -2.737 2.195 1.00 0.00 C HETATM 935 N6 DMY B 7 14.501 -3.228 0.992 1.00 0.00 N HETATM 936 C17 DMY B 7 13.536 -2.939 0.031 1.00 0.00 C HETATM 937 C18 DMY B 7 15.857 -3.783 0.736 1.00 0.00 C HETATM 938 C19 DMY B 7 14.679 -2.791 3.557 1.00 0.00 C HETATM 939 O4 DMY B 7 15.825 -3.241 3.627 1.00 0.00 O HETATM 940 N7 DMY B 7 14.042 -2.367 4.656 1.00 0.00 N HETATM 941 C20 DMY B 7 14.761 -2.029 5.904 1.00 0.00 C HETATM 942 C21 DMY B 7 15.309 -3.237 6.694 1.00 0.00 C HETATM 943 C22 DMY B 7 16.470 -2.929 7.644 1.00 0.00 C HETATM 944 N8 DMY B 7 16.265 -2.733 8.933 1.00 0.00 N HETATM 945 N9 DMY B 7 17.712 -2.915 7.211 1.00 0.00 N HETATM 0 HN92 DMY B 7 18.475 -2.708 7.856 1.00 0.00 H new HETATM 0 HN91 DMY B 7 17.912 -3.111 6.230 1.00 0.00 H new HETATM 0 H212 DMY B 7 14.494 -3.671 7.273 1.00 0.00 H new HETATM 0 H211 DMY B 7 15.635 -3.997 5.983 1.00 0.00 H new HETATM 0 H202 DMY B 7 15.592 -1.369 5.658 1.00 0.00 H new HETATM 0 H201 DMY B 7 14.088 -1.467 6.551 1.00 0.00 H new HETATM 0 H183 DMY B 7 16.609 -3.030 0.973 1.00 0.00 H new HETATM 0 H182 DMY B 7 16.014 -4.662 1.361 1.00 0.00 H new HETATM 0 H181 DMY B 7 15.943 -4.063 -0.314 1.00 0.00 H new HETATM 0 H123 DMY B 7 10.786 -2.366 -4.651 1.00 0.00 H new HETATM 0 H122 DMY B 7 9.678 -3.576 -3.962 1.00 0.00 H new HETATM 0 H121 DMY B 7 9.134 -2.528 -5.293 1.00 0.00 H new HETATM 0 HN8 DMY B 7 17.092 -2.304 9.348 1.00 0.00 H new HETATM 0 HN7 DMY B 7 13.027 -2.274 4.632 1.00 0.00 H new HETATM 0 HN5 DMY B 7 10.755 -1.052 0.388 1.00 0.00 H new HETATM 0 HN3 DMY B 7 7.319 1.962 -1.672 1.00 0.00 H new HETATM 0 HN1 DMY B 7 4.151 5.734 -0.824 1.00 0.00 H new HETATM 0 H9 DMY B 7 9.183 0.288 -0.601 1.00 0.00 H new HETATM 0 H63 DMY B 7 6.143 3.262 -6.263 1.00 0.00 H new HETATM 0 H62 DMY B 7 4.676 2.262 -6.127 1.00 0.00 H new HETATM 0 H61 DMY B 7 4.548 3.968 -6.619 1.00 0.00 H new HETATM 0 H5 DMY B 7 3.881 5.587 -4.683 1.00 0.00 H new HETATM 0 H3 DMY B 7 5.538 3.590 -1.256 1.00 0.00 H new HETATM 0 H17 DMY B 7 13.628 -3.198 -1.024 1.00 0.00 H new HETATM 0 H15 DMY B 7 12.023 -1.667 2.658 1.00 0.00 H new HETATM 0 H11 DMY B 7 7.676 -0.583 -4.535 1.00 0.00 H new HETATM 0 H1 DMY B 7 3.186 7.837 -1.341 1.00 0.00 H new HETATM 974 C1 DMY F 7 13.836 -6.294 8.010 1.00 0.00 C HETATM 975 O1 DMY F 7 14.910 -6.897 7.959 1.00 0.00 O HETATM 976 N1 DMY F 7 13.068 -5.865 6.898 1.00 0.00 N HETATM 977 C2 DMY F 7 13.337 -6.030 5.531 1.00 0.00 C HETATM 978 C3 DMY F 7 12.517 -5.571 4.540 1.00 0.00 C HETATM 979 C4 DMY F 7 13.019 -6.042 3.321 1.00 0.00 C HETATM 980 N2 DMY F 7 14.235 -6.737 3.538 1.00 0.00 N HETATM 981 C5 DMY F 7 14.369 -6.736 4.930 1.00 0.00 C HETATM 982 C6 DMY F 7 15.137 -7.398 2.566 1.00 0.00 C HETATM 983 C7 DMY F 7 12.287 -5.964 1.961 1.00 0.00 C HETATM 984 O2 DMY F 7 12.808 -6.459 0.952 1.00 0.00 O HETATM 985 N3 DMY F 7 10.996 -5.328 1.943 1.00 0.00 N HETATM 986 C8 DMY F 7 10.125 -5.222 0.846 1.00 0.00 C HETATM 987 C9 DMY F 7 9.096 -4.320 0.735 1.00 0.00 C HETATM 988 C10 DMY F 7 8.448 -4.581 -0.489 1.00 0.00 C HETATM 989 N4 DMY F 7 9.057 -5.690 -1.131 1.00 0.00 N HETATM 990 C11 DMY F 7 10.089 -6.044 -0.267 1.00 0.00 C HETATM 991 C12 DMY F 7 8.689 -6.380 -2.391 1.00 0.00 C HETATM 992 C13 DMY F 7 7.269 -3.783 -1.091 1.00 0.00 C HETATM 993 O3 DMY F 7 6.787 -4.159 -2.169 1.00 0.00 O HETATM 994 N5 DMY F 7 6.791 -2.631 -0.378 1.00 0.00 N HETATM 995 C14 DMY F 7 5.740 -1.771 -0.758 1.00 0.00 C HETATM 996 C15 DMY F 7 5.416 -0.596 -0.126 1.00 0.00 C HETATM 997 C16 DMY F 7 4.341 -0.026 -0.824 1.00 0.00 C HETATM 998 N6 DMY F 7 3.980 -0.855 -1.928 1.00 0.00 N HETATM 999 C17 DMY F 7 4.868 -1.921 -1.826 1.00 0.00 C HETATM 1000 C18 DMY F 7 3.028 -0.633 -3.043 1.00 0.00 C HETATM 1001 C19 DMY F 7 3.734 1.344 -0.444 1.00 0.00 C HETATM 1002 O4 DMY F 7 4.267 2.084 0.379 1.00 0.00 O HETATM 1003 N7 DMY F 7 2.635 1.730 -1.099 1.00 0.00 N HETATM 1004 C20 DMY F 7 1.909 2.959 -0.764 1.00 0.00 C HETATM 1005 C21 DMY F 7 0.938 3.301 -1.905 1.00 0.00 C HETATM 1006 C22 DMY F 7 0.030 4.486 -1.585 1.00 0.00 C HETATM 1007 N8 DMY F 7 -1.105 4.306 -0.932 1.00 0.00 N HETATM 1008 N9 DMY F 7 0.325 5.691 -2.038 1.00 0.00 N HETATM 0 HN92 DMY F 7 -0.284 6.480 -1.822 1.00 0.00 H new HETATM 0 HN91 DMY F 7 1.162 5.832 -2.604 1.00 0.00 H new HETATM 0 H212 DMY F 7 1.510 3.522 -2.806 1.00 0.00 H new HETATM 0 H211 DMY F 7 0.323 2.428 -2.124 1.00 0.00 H new HETATM 0 H202 DMY F 7 1.361 2.829 0.169 1.00 0.00 H new HETATM 0 H201 DMY F 7 2.610 3.779 -0.610 1.00 0.00 H new HETATM 0 H183 DMY F 7 2.027 -0.477 -2.641 1.00 0.00 H new HETATM 0 H182 DMY F 7 3.332 0.246 -3.611 1.00 0.00 H new HETATM 0 H181 DMY F 7 3.025 -1.505 -3.698 1.00 0.00 H new HETATM 0 H123 DMY F 7 7.678 -6.779 -2.305 1.00 0.00 H new HETATM 0 H122 DMY F 7 8.731 -5.672 -3.219 1.00 0.00 H new HETATM 0 H121 DMY F 7 9.387 -7.196 -2.576 1.00 0.00 H new HETATM 0 HN8 DMY F 7 -1.574 5.204 -0.810 1.00 0.00 H new HETATM 0 HN7 DMY F 7 2.288 1.147 -1.861 1.00 0.00 H new HETATM 0 HN5 DMY F 7 7.263 -2.411 0.499 1.00 0.00 H new HETATM 0 HN3 DMY F 7 10.680 -4.910 2.819 1.00 0.00 H new HETATM 0 HN1 DMY F 7 12.205 -5.370 7.122 1.00 0.00 H new HETATM 0 H9 DMY F 7 8.830 -3.548 1.457 1.00 0.00 H new HETATM 0 H63 DMY F 7 14.593 -8.184 2.041 1.00 0.00 H new HETATM 0 H62 DMY F 7 15.497 -6.663 1.846 1.00 0.00 H new HETATM 0 H61 DMY F 7 15.985 -7.834 3.095 1.00 0.00 H new HETATM 0 H5 DMY F 7 15.178 -7.226 5.472 1.00 0.00 H new HETATM 0 H3 DMY F 7 11.631 -4.950 4.674 1.00 0.00 H new HETATM 0 H17 DMY F 7 4.877 -2.773 -2.505 1.00 0.00 H new HETATM 0 H15 DMY F 7 5.904 -0.182 0.756 1.00 0.00 H new HETATM 0 H11 DMY F 7 10.782 -6.866 -0.445 1.00 0.00 H new HETATM 0 H1 DMY F 7 13.441 -6.070 9.001 1.00 0.00 H new