USER MOD reduce.3.24.130724 H: found=0, std=0, add=321, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 346 hydrogens (96 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 NoAdj-H: A 102 PYB HN2 : A 102 PYB N : A 101 9TK C81 :(H bumps) USER MOD NoAdj-H: A 103 PYB HN2 : A 103 PYB N : A 102 PYB C :(H bumps) USER MOD NoAdj-H: A 104 PYB HN2 : A 104 PYB N : A 103 PYB C :(H bumps) USER MOD NoAdj-H: A 106 IMT H : A 106 IMT N : A 105 ABU CD :(H bumps) USER MOD NoAdj-H: A 107 PYB HN2 : A 107 PYB N : A 106 IMT C :(H bumps) USER MOD NoAdj-H: A 108 PYB HN2 : A 108 PYB N : A 107 PYB C :(H bumps) USER MOD NoAdj-H: A 109 PYB HN2 : A 109 PYB N : A 108 PYB C :(H bumps) USER MOD Single : A 1 DCZ O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.744 (180deg=-0.744) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 13 DCZ O5' : rot 180:sc= 0 USER MOD Single : B 16 DT C7 :methyl 150:sc= -0.292 (180deg=-0.292) USER MOD Single : B 18 DT C7 :methyl -30:sc= -1.74! (180deg=-2.11!) USER MOD Single : B 22 DT C7 :methyl -30:sc= -0.292 (180deg=-1.54!) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 DCZ A 1 31.168 12.609 28.468 1.00 0.00 N HETATM 2 C2 DCZ A 1 32.203 12.046 29.240 1.00 0.00 C HETATM 3 N3 DCZ A 1 32.770 12.739 30.263 1.00 0.00 N HETATM 4 C4 DCZ A 1 32.298 13.935 30.547 1.00 0.00 C HETATM 5 C5 DCZ A 1 31.214 14.535 29.855 1.00 0.00 C HETATM 6 C6 DCZ A 1 30.677 13.849 28.816 1.00 0.00 C HETATM 7 O2 DCZ A 1 32.630 10.905 29.036 1.00 0.00 O HETATM 8 N4 DCZ A 1 32.895 14.568 31.518 1.00 0.00 N HETATM 9 C1' DCZ A 1 30.683 11.846 27.270 1.00 0.00 C HETATM 10 C2' DCZ A 1 29.502 12.446 26.498 1.00 0.00 C HETATM 11 C3' DCZ A 1 29.549 11.645 25.201 1.00 0.00 C HETATM 12 C4' DCZ A 1 31.065 11.435 25.028 1.00 0.00 C HETATM 13 O4' DCZ A 1 31.681 11.801 26.264 1.00 0.00 O HETATM 14 O3' DCZ A 1 28.847 10.419 25.374 1.00 0.00 O HETATM 15 C5' DCZ A 1 31.696 12.236 23.870 1.00 0.00 C HETATM 16 O5' DCZ A 1 31.497 13.650 23.950 1.00 0.00 O HETATM 0 HO51 DCZ A 1 31.927 14.085 23.184 1.00 0.00 H new HETATM 0 HN42 DCZ A 1 32.580 15.499 31.790 1.00 0.00 H new HETATM 0 HN41 DCZ A 1 33.677 14.132 32.006 1.00 0.00 H new HETATM 0 H5'2 DCZ A 1 32.767 12.033 23.846 1.00 0.00 H new HETATM 0 H5'1 DCZ A 1 31.282 11.876 22.928 1.00 0.00 H new HETATM 0 H2'2 DCZ A 1 28.558 12.316 27.027 1.00 0.00 H new HETATM 0 H2'1 DCZ A 1 29.626 13.515 26.325 1.00 0.00 H new HETATM 0 H6 DCZ A 1 29.851 14.281 28.252 1.00 0.00 H new HETATM 0 H5 DCZ A 1 30.827 15.511 30.148 1.00 0.00 H new HETATM 0 H4' DCZ A 1 31.230 10.390 24.768 1.00 0.00 H new HETATM 0 H3' DCZ A 1 29.086 12.120 24.336 1.00 0.00 H new HETATM 0 H1' DCZ A 1 30.402 10.896 27.724 1.00 0.00 H new ATOM 29 P DG A 2 27.405 10.196 24.690 1.00 0.00 P ATOM 30 OP1 DG A 2 26.856 8.912 25.194 1.00 0.00 O ATOM 31 OP2 DG A 2 27.542 10.399 23.227 1.00 0.00 O ATOM 32 O5' DG A 2 26.536 11.406 25.300 1.00 0.00 O ATOM 33 C5' DG A 2 25.136 11.519 25.071 1.00 0.00 C ATOM 34 C4' DG A 2 24.582 12.871 25.553 1.00 0.00 C ATOM 35 O4' DG A 2 24.731 13.000 26.968 1.00 0.00 O ATOM 36 C3' DG A 2 25.303 14.077 24.918 1.00 0.00 C ATOM 37 O3' DG A 2 24.405 15.101 24.533 1.00 0.00 O ATOM 38 C2' DG A 2 26.115 14.606 26.087 1.00 0.00 C ATOM 39 C1' DG A 2 25.151 14.327 27.240 1.00 0.00 C ATOM 40 N9 DG A 2 25.792 14.461 28.572 1.00 0.00 N ATOM 41 C8 DG A 2 27.078 14.842 28.878 1.00 0.00 C ATOM 42 N7 DG A 2 27.366 14.817 30.151 1.00 0.00 N ATOM 43 C5 DG A 2 26.158 14.430 30.748 1.00 0.00 C ATOM 44 C6 DG A 2 25.791 14.255 32.129 1.00 0.00 C ATOM 45 O6 DG A 2 26.487 14.357 33.141 1.00 0.00 O ATOM 46 N1 DG A 2 24.461 13.937 32.308 1.00 0.00 N ATOM 47 C2 DG A 2 23.582 13.765 31.293 1.00 0.00 C ATOM 48 N2 DG A 2 22.350 13.476 31.610 1.00 0.00 N ATOM 49 N3 DG A 2 23.876 13.893 30.003 1.00 0.00 N ATOM 50 C4 DG A 2 25.185 14.233 29.788 1.00 0.00 C ATOM 0 H5' DG A 2 24.618 10.710 25.586 1.00 0.00 H new ATOM 0 H5'' DG A 2 24.932 11.402 24.007 1.00 0.00 H new ATOM 0 H4' DG A 2 23.534 12.878 25.255 1.00 0.00 H new ATOM 0 H3' DG A 2 25.860 13.793 24.025 1.00 0.00 H new ATOM 0 H2' DG A 2 27.064 14.083 26.204 1.00 0.00 H new ATOM 0 H2'' DG A 2 26.346 15.667 25.986 1.00 0.00 H new ATOM 0 H1' DG A 2 24.328 15.039 27.292 1.00 0.00 H new ATOM 0 H8 DG A 2 27.793 15.138 28.125 1.00 0.00 H new ATOM 0 H1 DG A 2 24.119 13.825 33.262 1.00 0.00 H new ATOM 0 H21 DG A 2 21.654 13.338 30.877 1.00 0.00 H new ATOM 0 H22 DG A 2 22.083 13.388 32.590 1.00 0.00 H new ATOM 62 P DA A 3 24.060 15.369 22.993 1.00 0.00 P ATOM 63 OP1 DA A 3 23.550 14.112 22.391 1.00 0.00 O ATOM 64 OP2 DA A 3 25.217 16.055 22.367 1.00 0.00 O ATOM 65 O5' DA A 3 22.849 16.421 23.101 1.00 0.00 O ATOM 66 C5' DA A 3 21.605 16.069 23.699 1.00 0.00 C ATOM 67 C4' DA A 3 21.286 16.893 24.957 1.00 0.00 C ATOM 68 O4' DA A 3 22.131 16.597 26.063 1.00 0.00 O ATOM 69 C3' DA A 3 21.372 18.416 24.722 1.00 0.00 C ATOM 70 O3' DA A 3 20.117 19.084 24.525 1.00 0.00 O ATOM 71 C2' DA A 3 22.252 18.897 25.883 1.00 0.00 C ATOM 72 C1' DA A 3 22.151 17.745 26.891 1.00 0.00 C ATOM 73 N9 DA A 3 23.292 17.673 27.836 1.00 0.00 N ATOM 74 C8 DA A 3 24.635 17.792 27.559 1.00 0.00 C ATOM 75 N7 DA A 3 25.410 17.770 28.613 1.00 0.00 N ATOM 76 C5 DA A 3 24.498 17.608 29.669 1.00 0.00 C ATOM 77 C6 DA A 3 24.609 17.535 31.081 1.00 0.00 C ATOM 78 N6 DA A 3 25.739 17.625 31.753 1.00 0.00 N ATOM 79 N1 DA A 3 23.535 17.380 31.855 1.00 0.00 N ATOM 80 C2 DA A 3 22.356 17.263 31.258 1.00 0.00 C ATOM 81 N3 DA A 3 22.091 17.303 29.955 1.00 0.00 N ATOM 82 C4 DA A 3 23.214 17.503 29.204 1.00 0.00 C ATOM 0 H5' DA A 3 21.620 15.011 23.959 1.00 0.00 H new ATOM 0 H5'' DA A 3 20.806 16.206 22.970 1.00 0.00 H new ATOM 0 H4' DA A 3 20.261 16.603 25.188 1.00 0.00 H new ATOM 0 H3' DA A 3 21.816 18.675 23.761 1.00 0.00 H new ATOM 0 H2' DA A 3 23.281 19.067 25.566 1.00 0.00 H new ATOM 0 H2'' DA A 3 21.889 19.835 26.304 1.00 0.00 H new ATOM 0 H1' DA A 3 21.278 17.860 27.534 1.00 0.00 H new ATOM 0 H8 DA A 3 25.018 17.895 26.554 1.00 0.00 H new ATOM 0 H61 DA A 3 25.733 17.562 32.771 1.00 0.00 H new ATOM 0 H62 DA A 3 26.619 17.757 31.255 1.00 0.00 H new ATOM 0 H2 DA A 3 21.507 17.117 31.910 1.00 0.00 H new ATOM 94 P DT A 4 18.887 19.151 25.581 1.00 0.00 P ATOM 95 OP1 DT A 4 18.355 17.785 25.797 1.00 0.00 O ATOM 96 OP2 DT A 4 17.957 20.200 25.095 1.00 0.00 O ATOM 97 O5' DT A 4 19.558 19.665 26.942 1.00 0.00 O ATOM 98 C5' DT A 4 18.901 19.569 28.192 1.00 0.00 C ATOM 99 C4' DT A 4 19.598 20.445 29.241 1.00 0.00 C ATOM 100 O4' DT A 4 20.929 20.043 29.510 1.00 0.00 O ATOM 101 C3' DT A 4 19.755 21.896 28.792 1.00 0.00 C ATOM 102 O3' DT A 4 18.530 22.588 28.951 1.00 0.00 O ATOM 103 C2' DT A 4 20.857 22.386 29.736 1.00 0.00 C ATOM 104 C1' DT A 4 21.540 21.100 30.226 1.00 0.00 C ATOM 105 N1 DT A 4 23.021 21.071 30.051 1.00 0.00 N ATOM 106 C2 DT A 4 23.813 20.929 31.197 1.00 0.00 C ATOM 107 O2 DT A 4 23.360 20.828 32.335 1.00 0.00 O ATOM 108 N3 DT A 4 25.174 20.899 31.021 1.00 0.00 N ATOM 109 C4 DT A 4 25.830 20.954 29.813 1.00 0.00 C ATOM 110 O4 DT A 4 27.058 20.848 29.808 1.00 0.00 O ATOM 111 C5 DT A 4 24.954 21.118 28.650 1.00 0.00 C ATOM 112 C7 DT A 4 25.560 21.221 27.260 1.00 0.00 C ATOM 113 C6 DT A 4 23.601 21.173 28.801 1.00 0.00 C ATOM 0 H5' DT A 4 18.893 18.531 28.525 1.00 0.00 H new ATOM 0 H5'' DT A 4 17.861 19.878 28.086 1.00 0.00 H new ATOM 0 H4' DT A 4 18.949 20.340 30.110 1.00 0.00 H new ATOM 0 H3' DT A 4 20.010 22.041 27.742 1.00 0.00 H new ATOM 0 H2' DT A 4 21.561 23.038 29.220 1.00 0.00 H new ATOM 0 H2'' DT A 4 20.443 22.958 30.567 1.00 0.00 H new ATOM 0 H1' DT A 4 21.406 21.019 31.305 1.00 0.00 H new ATOM 0 H3 DT A 4 25.750 20.830 31.860 1.00 0.00 H new ATOM 0 H71 DT A 4 24.862 20.815 26.528 1.00 0.00 H new ATOM 0 H72 DT A 4 25.763 22.267 27.028 1.00 0.00 H new ATOM 0 H73 DT A 4 26.491 20.655 27.226 1.00 0.00 H new ATOM 0 H6 DT A 4 22.973 21.298 27.931 1.00 0.00 H new ATOM 126 P DG A 5 18.216 23.946 28.161 1.00 0.00 P ATOM 127 OP1 DG A 5 16.842 24.355 28.543 1.00 0.00 O ATOM 128 OP2 DG A 5 18.552 23.780 26.727 1.00 0.00 O ATOM 129 O5' DG A 5 19.265 24.965 28.813 1.00 0.00 O ATOM 130 C5' DG A 5 19.050 25.539 30.095 1.00 0.00 C ATOM 131 C4' DG A 5 20.263 26.343 30.572 1.00 0.00 C ATOM 132 O4' DG A 5 21.386 25.519 30.852 1.00 0.00 O ATOM 133 C3' DG A 5 20.780 27.323 29.511 1.00 0.00 C ATOM 134 O3' DG A 5 20.047 28.532 29.268 1.00 0.00 O ATOM 135 C2' DG A 5 22.234 27.525 29.938 1.00 0.00 C ATOM 136 C1' DG A 5 22.515 26.375 30.919 1.00 0.00 C ATOM 137 N9 DG A 5 23.767 25.616 30.647 1.00 0.00 N ATOM 138 C8 DG A 5 24.154 24.943 29.512 1.00 0.00 C ATOM 139 N7 DG A 5 25.311 24.336 29.611 1.00 0.00 N ATOM 140 C5 DG A 5 25.736 24.633 30.916 1.00 0.00 C ATOM 141 C6 DG A 5 26.918 24.270 31.669 1.00 0.00 C ATOM 142 O6 DG A 5 27.893 23.595 31.336 1.00 0.00 O ATOM 143 N1 DG A 5 26.928 24.765 32.960 1.00 0.00 N ATOM 144 C2 DG A 5 25.953 25.550 33.466 1.00 0.00 C ATOM 145 N2 DG A 5 26.089 25.974 34.688 1.00 0.00 N ATOM 146 N3 DG A 5 24.864 25.918 32.808 1.00 0.00 N ATOM 147 C4 DG A 5 24.797 25.423 31.541 1.00 0.00 C ATOM 0 H5' DG A 5 18.832 24.749 30.814 1.00 0.00 H new ATOM 0 H5'' DG A 5 18.175 26.188 30.060 1.00 0.00 H new ATOM 0 H4' DG A 5 19.894 26.856 31.460 1.00 0.00 H new ATOM 0 H3' DG A 5 20.652 26.904 28.513 1.00 0.00 H new ATOM 0 H2' DG A 5 22.907 27.488 29.081 1.00 0.00 H new ATOM 0 H2'' DG A 5 22.376 28.495 30.414 1.00 0.00 H new ATOM 0 H1' DG A 5 22.673 26.793 31.913 1.00 0.00 H new ATOM 0 H8 DG A 5 23.554 24.917 28.614 1.00 0.00 H new ATOM 0 H1 DG A 5 27.715 24.524 33.563 1.00 0.00 H new ATOM 0 H21 DG A 5 25.373 26.569 35.104 1.00 0.00 H new ATOM 0 H22 DG A 5 26.912 25.711 35.230 1.00 0.00 H new ATOM 159 P DT A 6 19.269 29.413 30.388 1.00 0.00 P ATOM 160 OP1 DT A 6 18.181 28.597 30.980 1.00 0.00 O ATOM 161 OP2 DT A 6 18.913 30.707 29.754 1.00 0.00 O ATOM 162 O5' DT A 6 20.378 29.720 31.509 1.00 0.00 O ATOM 163 C5' DT A 6 20.208 29.365 32.877 1.00 0.00 C ATOM 164 C4' DT A 6 21.423 29.811 33.693 1.00 0.00 C ATOM 165 O4' DT A 6 22.601 29.192 33.211 1.00 0.00 O ATOM 166 C3' DT A 6 21.661 31.326 33.645 1.00 0.00 C ATOM 167 O3' DT A 6 21.306 31.889 34.901 1.00 0.00 O ATOM 168 C2' DT A 6 23.153 31.436 33.311 1.00 0.00 C ATOM 169 C1' DT A 6 23.687 30.028 33.555 1.00 0.00 C ATOM 170 N1 DT A 6 24.856 29.626 32.729 1.00 0.00 N ATOM 171 C2 DT A 6 25.996 29.132 33.376 1.00 0.00 C ATOM 172 O2 DT A 6 26.230 29.272 34.575 1.00 0.00 O ATOM 173 N3 DT A 6 26.911 28.469 32.592 1.00 0.00 N ATOM 174 C4 DT A 6 26.771 28.214 31.248 1.00 0.00 C ATOM 175 O4 DT A 6 27.567 27.453 30.705 1.00 0.00 O ATOM 176 C5 DT A 6 25.648 28.893 30.607 1.00 0.00 C ATOM 177 C7 DT A 6 25.459 28.803 29.103 1.00 0.00 C ATOM 178 C6 DT A 6 24.744 29.577 31.355 1.00 0.00 C ATOM 0 H5' DT A 6 20.076 28.287 32.967 1.00 0.00 H new ATOM 0 H5'' DT A 6 19.305 29.830 33.272 1.00 0.00 H new ATOM 0 H4' DT A 6 21.204 29.518 34.720 1.00 0.00 H new ATOM 0 H3' DT A 6 21.064 31.871 32.914 1.00 0.00 H new ATOM 0 H2' DT A 6 23.310 31.750 32.279 1.00 0.00 H new ATOM 0 H2'' DT A 6 23.652 32.168 33.946 1.00 0.00 H new ATOM 0 H1' DT A 6 24.043 29.963 34.583 1.00 0.00 H new ATOM 0 H3 DT A 6 27.764 28.139 33.045 1.00 0.00 H new ATOM 0 H71 DT A 6 24.397 28.871 28.865 1.00 0.00 H new ATOM 0 H72 DT A 6 25.992 29.622 28.620 1.00 0.00 H new ATOM 0 H73 DT A 6 25.852 27.852 28.743 1.00 0.00 H new ATOM 0 H6 DT A 6 23.927 30.089 30.868 1.00 0.00 H new ATOM 191 P DA A 7 21.162 33.481 35.127 1.00 0.00 P ATOM 192 OP1 DA A 7 20.247 33.698 36.275 1.00 0.00 O ATOM 193 OP2 DA A 7 20.852 34.133 33.831 1.00 0.00 O ATOM 194 O5' DA A 7 22.646 33.920 35.564 1.00 0.00 O ATOM 195 C5' DA A 7 23.203 33.484 36.798 1.00 0.00 C ATOM 196 C4' DA A 7 24.721 33.682 36.842 1.00 0.00 C ATOM 197 O4' DA A 7 25.342 32.884 35.844 1.00 0.00 O ATOM 198 C3' DA A 7 25.183 35.134 36.643 1.00 0.00 C ATOM 199 O3' DA A 7 25.854 35.575 37.817 1.00 0.00 O ATOM 200 C2' DA A 7 26.082 35.031 35.406 1.00 0.00 C ATOM 201 C1' DA A 7 26.487 33.559 35.374 1.00 0.00 C ATOM 202 N9 DA A 7 26.783 33.048 34.018 1.00 0.00 N ATOM 203 C8 DA A 7 25.987 33.121 32.899 1.00 0.00 C ATOM 204 N7 DA A 7 26.438 32.461 31.865 1.00 0.00 N ATOM 205 C5 DA A 7 27.655 31.943 32.339 1.00 0.00 C ATOM 206 C6 DA A 7 28.675 31.139 31.780 1.00 0.00 C ATOM 207 N6 DA A 7 28.646 30.646 30.558 1.00 0.00 N ATOM 208 N1 DA A 7 29.751 30.785 32.485 1.00 0.00 N ATOM 209 C2 DA A 7 29.834 31.217 33.735 1.00 0.00 C ATOM 210 N3 DA A 7 28.960 31.961 34.410 1.00 0.00 N ATOM 211 C4 DA A 7 27.878 32.297 33.645 1.00 0.00 C ATOM 0 H5' DA A 7 22.970 32.430 36.949 1.00 0.00 H new ATOM 0 H5'' DA A 7 22.741 34.033 37.619 1.00 0.00 H new ATOM 0 H4' DA A 7 25.017 33.385 37.848 1.00 0.00 H new ATOM 0 H3' DA A 7 24.392 35.867 36.489 1.00 0.00 H new ATOM 0 H2' DA A 7 25.550 35.320 34.499 1.00 0.00 H new ATOM 0 H2'' DA A 7 26.951 35.684 35.487 1.00 0.00 H new ATOM 0 H1' DA A 7 27.396 33.414 35.957 1.00 0.00 H new ATOM 0 H8 DA A 7 25.063 33.679 32.876 1.00 0.00 H new ATOM 0 H61 DA A 7 29.419 30.073 30.221 1.00 0.00 H new ATOM 0 H62 DA A 7 27.850 30.838 29.949 1.00 0.00 H new ATOM 0 H2 DA A 7 30.724 30.929 34.275 1.00 0.00 H new ATOM 223 P DC A 8 26.338 37.103 38.030 1.00 0.00 P ATOM 224 OP1 DC A 8 26.423 37.357 39.490 1.00 0.00 O ATOM 225 OP2 DC A 8 25.500 38.001 37.197 1.00 0.00 O ATOM 226 O5' DC A 8 27.831 37.095 37.426 1.00 0.00 O ATOM 227 C5' DC A 8 28.842 36.298 38.032 1.00 0.00 C ATOM 228 C4' DC A 8 30.098 36.138 37.168 1.00 0.00 C ATOM 229 O4' DC A 8 29.783 35.457 35.960 1.00 0.00 O ATOM 230 C3' DC A 8 30.800 37.455 36.797 1.00 0.00 C ATOM 231 O3' DC A 8 32.148 37.426 37.266 1.00 0.00 O ATOM 232 C2' DC A 8 30.689 37.459 35.270 1.00 0.00 C ATOM 233 C1' DC A 8 30.615 35.966 34.938 1.00 0.00 C ATOM 234 N1 DC A 8 30.007 35.622 33.620 1.00 0.00 N ATOM 235 C2 DC A 8 30.677 34.750 32.746 1.00 0.00 C ATOM 236 O2 DC A 8 31.805 34.312 32.982 1.00 0.00 O ATOM 237 N3 DC A 8 30.098 34.348 31.585 1.00 0.00 N ATOM 238 C4 DC A 8 28.888 34.785 31.307 1.00 0.00 C ATOM 239 N4 DC A 8 28.364 34.363 30.195 1.00 0.00 N ATOM 240 C5 DC A 8 28.151 35.658 32.149 1.00 0.00 C ATOM 241 C6 DC A 8 28.746 36.064 33.297 1.00 0.00 C ATOM 0 H5' DC A 8 28.433 35.311 38.250 1.00 0.00 H new ATOM 0 H5'' DC A 8 29.122 36.745 38.986 1.00 0.00 H new ATOM 0 H4' DC A 8 30.788 35.569 37.791 1.00 0.00 H new ATOM 0 H3' DC A 8 30.372 38.356 37.238 1.00 0.00 H new ATOM 0 H2' DC A 8 29.803 37.995 34.929 1.00 0.00 H new ATOM 0 H2'' DC A 8 31.550 37.936 34.802 1.00 0.00 H new ATOM 0 H1' DC A 8 31.624 35.557 34.878 1.00 0.00 H new ATOM 0 H41 DC A 8 27.429 34.667 29.925 1.00 0.00 H new ATOM 0 H42 DC A 8 28.888 33.728 29.593 1.00 0.00 H new ATOM 0 H5 DC A 8 27.156 35.986 31.886 1.00 0.00 H new ATOM 0 H6 DC A 8 28.227 36.738 33.962 1.00 0.00 H new ATOM 253 P DA A 9 33.071 38.752 37.358 1.00 0.00 P ATOM 254 OP1 DA A 9 34.123 38.507 38.377 1.00 0.00 O ATOM 255 OP2 DA A 9 32.197 39.942 37.514 1.00 0.00 O ATOM 256 O5' DA A 9 33.773 38.835 35.909 1.00 0.00 O ATOM 257 C5' DA A 9 34.819 37.937 35.553 1.00 0.00 C ATOM 258 C4' DA A 9 34.967 37.766 34.037 1.00 0.00 C ATOM 259 O4' DA A 9 33.752 37.283 33.483 1.00 0.00 O ATOM 260 C3' DA A 9 35.329 39.045 33.262 1.00 0.00 C ATOM 261 O3' DA A 9 36.717 39.076 32.937 1.00 0.00 O ATOM 262 C2' DA A 9 34.438 38.958 32.017 1.00 0.00 C ATOM 263 C1' DA A 9 33.800 37.578 32.109 1.00 0.00 C ATOM 264 N9 DA A 9 32.457 37.548 31.503 1.00 0.00 N ATOM 265 C8 DA A 9 31.327 38.236 31.876 1.00 0.00 C ATOM 266 N7 DA A 9 30.310 38.075 31.070 1.00 0.00 N ATOM 267 C5 DA A 9 30.827 37.220 30.083 1.00 0.00 C ATOM 268 C6 DA A 9 30.324 36.643 28.893 1.00 0.00 C ATOM 269 N6 DA A 9 29.117 36.828 28.394 1.00 0.00 N ATOM 270 N1 DA A 9 31.081 35.841 28.149 1.00 0.00 N ATOM 271 C2 DA A 9 32.320 35.594 28.546 1.00 0.00 C ATOM 272 N3 DA A 9 32.941 36.060 29.622 1.00 0.00 N ATOM 273 C4 DA A 9 32.126 36.877 30.353 1.00 0.00 C ATOM 0 H5' DA A 9 34.626 36.965 36.006 1.00 0.00 H new ATOM 0 H5'' DA A 9 35.760 38.301 35.966 1.00 0.00 H new ATOM 0 H4' DA A 9 35.797 37.068 33.927 1.00 0.00 H new ATOM 0 H3' DA A 9 35.163 39.961 33.829 1.00 0.00 H new ATOM 0 H2' DA A 9 33.684 39.745 32.011 1.00 0.00 H new ATOM 0 H2'' DA A 9 35.020 39.067 31.102 1.00 0.00 H new ATOM 0 H1' DA A 9 34.377 36.837 31.555 1.00 0.00 H new ATOM 0 H8 DA A 9 31.283 38.856 32.759 1.00 0.00 H new ATOM 0 H61 DA A 9 28.848 36.365 27.526 1.00 0.00 H new ATOM 0 H62 DA A 9 28.453 37.434 28.876 1.00 0.00 H new ATOM 0 H2 DA A 9 32.896 34.932 27.916 1.00 0.00 H new ATOM 285 P DT A 10 37.417 40.378 32.277 1.00 0.00 P ATOM 286 OP1 DT A 10 38.882 40.266 32.492 1.00 0.00 O ATOM 287 OP2 DT A 10 36.719 41.594 32.767 1.00 0.00 O ATOM 288 O5' DT A 10 37.114 40.228 30.696 1.00 0.00 O ATOM 289 C5' DT A 10 37.857 39.322 29.885 1.00 0.00 C ATOM 290 C4' DT A 10 37.297 39.148 28.463 1.00 0.00 C ATOM 291 O4' DT A 10 36.072 38.424 28.437 1.00 0.00 O ATOM 292 C3' DT A 10 36.942 40.442 27.726 1.00 0.00 C ATOM 293 O3' DT A 10 38.048 41.201 27.259 1.00 0.00 O ATOM 294 C2' DT A 10 36.182 39.842 26.548 1.00 0.00 C ATOM 295 C1' DT A 10 35.509 38.603 27.140 1.00 0.00 C ATOM 296 N1 DT A 10 34.036 38.788 27.169 1.00 0.00 N ATOM 297 C2 DT A 10 33.317 38.379 26.036 1.00 0.00 C ATOM 298 O2 DT A 10 33.834 37.864 25.045 1.00 0.00 O ATOM 299 N3 DT A 10 31.968 38.629 26.040 1.00 0.00 N ATOM 300 C4 DT A 10 31.282 39.327 27.006 1.00 0.00 C ATOM 301 O4 DT A 10 30.069 39.472 26.869 1.00 0.00 O ATOM 302 C5 DT A 10 32.110 39.830 28.104 1.00 0.00 C ATOM 303 C7 DT A 10 31.498 40.688 29.197 1.00 0.00 C ATOM 304 C6 DT A 10 33.436 39.536 28.160 1.00 0.00 C ATOM 0 H5' DT A 10 37.882 38.349 30.376 1.00 0.00 H new ATOM 0 H5'' DT A 10 38.887 39.672 29.818 1.00 0.00 H new ATOM 0 H4' DT A 10 38.128 38.635 27.979 1.00 0.00 H new ATOM 0 H3' DT A 10 36.420 41.160 28.358 1.00 0.00 H new ATOM 0 H2' DT A 10 35.449 40.542 26.147 1.00 0.00 H new ATOM 0 H2'' DT A 10 36.854 39.580 25.730 1.00 0.00 H new ATOM 0 H1' DT A 10 35.682 37.709 26.541 1.00 0.00 H new ATOM 0 H3 DT A 10 31.426 38.265 25.257 1.00 0.00 H new ATOM 0 H71 DT A 10 32.040 40.531 30.130 1.00 0.00 H new ATOM 0 H72 DT A 10 31.561 41.739 28.913 1.00 0.00 H new ATOM 0 H73 DT A 10 30.453 40.412 29.334 1.00 0.00 H new ATOM 0 H6 DT A 10 34.027 39.893 28.991 1.00 0.00 H new ATOM 317 P DC A 11 37.878 42.763 26.882 1.00 0.00 P ATOM 318 OP1 DC A 11 39.203 43.266 26.439 1.00 0.00 O ATOM 319 OP2 DC A 11 37.202 43.448 28.012 1.00 0.00 O ATOM 320 O5' DC A 11 36.869 42.781 25.618 1.00 0.00 O ATOM 321 C5' DC A 11 37.275 42.356 24.320 1.00 0.00 C ATOM 322 C4' DC A 11 36.140 42.426 23.279 1.00 0.00 C ATOM 323 O4' DC A 11 35.038 41.588 23.619 1.00 0.00 O ATOM 324 C3' DC A 11 35.517 43.822 23.155 1.00 0.00 C ATOM 325 O3' DC A 11 36.229 44.839 22.438 1.00 0.00 O ATOM 326 C2' DC A 11 34.131 43.520 22.594 1.00 0.00 C ATOM 327 C1' DC A 11 33.901 42.030 22.884 1.00 0.00 C ATOM 328 N1 DC A 11 32.637 41.847 23.653 1.00 0.00 N ATOM 329 C2 DC A 11 31.482 41.393 22.993 1.00 0.00 C ATOM 330 O2 DC A 11 31.513 40.916 21.857 1.00 0.00 O ATOM 331 N3 DC A 11 30.267 41.472 23.588 1.00 0.00 N ATOM 332 C4 DC A 11 30.200 41.976 24.804 1.00 0.00 C ATOM 333 N4 DC A 11 29.013 42.043 25.331 1.00 0.00 N ATOM 334 C5 DC A 11 31.334 42.418 25.540 1.00 0.00 C ATOM 335 C6 DC A 11 32.545 42.330 24.935 1.00 0.00 C ATOM 0 H5' DC A 11 37.644 41.332 24.378 1.00 0.00 H new ATOM 0 H5'' DC A 11 38.106 42.976 23.985 1.00 0.00 H new ATOM 0 H4' DC A 11 36.631 42.119 22.356 1.00 0.00 H new ATOM 0 H3' DC A 11 35.524 44.315 24.127 1.00 0.00 H new ATOM 0 H2' DC A 11 33.369 44.137 23.071 1.00 0.00 H new ATOM 0 H2'' DC A 11 34.085 43.726 21.525 1.00 0.00 H new ATOM 0 H1' DC A 11 33.792 41.447 21.969 1.00 0.00 H new ATOM 0 H41 DC A 11 28.893 42.423 26.270 1.00 0.00 H new ATOM 0 H42 DC A 11 28.202 41.715 24.805 1.00 0.00 H new ATOM 0 H5 DC A 11 31.235 42.809 26.542 1.00 0.00 H new ATOM 0 H6 DC A 11 33.436 42.640 25.461 1.00 0.00 H new ATOM 347 P DG A 12 36.941 44.678 20.985 1.00 0.00 P ATOM 348 OP1 DG A 12 38.005 43.651 21.095 1.00 0.00 O ATOM 349 OP2 DG A 12 37.332 46.045 20.562 1.00 0.00 O ATOM 350 O5' DG A 12 35.819 44.171 19.934 1.00 0.00 O ATOM 351 C5' DG A 12 35.807 42.851 19.397 1.00 0.00 C ATOM 352 C4' DG A 12 34.564 42.555 18.535 1.00 0.00 C ATOM 353 O4' DG A 12 33.392 42.464 19.348 1.00 0.00 O ATOM 354 C3' DG A 12 34.287 43.615 17.450 1.00 0.00 C ATOM 355 O3' DG A 12 33.898 43.014 16.216 1.00 0.00 O ATOM 356 C2' DG A 12 33.111 44.375 18.055 1.00 0.00 C ATOM 357 C1' DG A 12 32.360 43.235 18.744 1.00 0.00 C ATOM 358 N9 DG A 12 31.372 43.708 19.745 1.00 0.00 N ATOM 359 C8 DG A 12 31.549 44.634 20.747 1.00 0.00 C ATOM 360 N7 DG A 12 30.499 44.825 21.502 1.00 0.00 N ATOM 361 C5 DG A 12 29.530 43.990 20.927 1.00 0.00 C ATOM 362 C6 DG A 12 28.149 43.764 21.265 1.00 0.00 C ATOM 363 O6 DG A 12 27.482 44.236 22.187 1.00 0.00 O ATOM 364 N1 DG A 12 27.505 42.897 20.407 1.00 0.00 N ATOM 365 C2 DG A 12 28.097 42.307 19.344 1.00 0.00 C ATOM 366 N2 DG A 12 27.339 41.538 18.605 1.00 0.00 N ATOM 367 N3 DG A 12 29.373 42.472 18.994 1.00 0.00 N ATOM 368 C4 DG A 12 30.047 43.325 19.831 1.00 0.00 C ATOM 0 H5' DG A 12 35.852 42.133 20.216 1.00 0.00 H new ATOM 0 H5'' DG A 12 36.703 42.704 18.794 1.00 0.00 H new ATOM 0 H4' DG A 12 34.788 41.609 18.043 1.00 0.00 H new ATOM 0 H3' DG A 12 35.156 44.229 17.213 1.00 0.00 H new ATOM 0 H2' DG A 12 33.433 45.143 18.758 1.00 0.00 H new ATOM 0 H2'' DG A 12 32.505 44.871 17.297 1.00 0.00 H new ATOM 0 HO3' DG A 12 33.728 43.713 15.551 1.00 0.00 H new ATOM 0 H1' DG A 12 31.759 42.665 18.036 1.00 0.00 H new ATOM 0 H8 DG A 12 32.480 45.160 20.898 1.00 0.00 H new ATOM 0 H1 DG A 12 26.523 42.688 20.585 1.00 0.00 H new ATOM 0 H21 DG A 12 27.731 41.067 17.790 1.00 0.00 H new ATOM 0 H22 DG A 12 26.356 41.410 18.844 1.00 0.00 H new TER 381 DG A 12 HETATM 382 N1 DCZ B 13 22.938 40.682 20.964 1.00 0.00 N HETATM 383 C2 DCZ B 13 24.108 41.306 20.506 1.00 0.00 C HETATM 384 N3 DCZ B 13 24.871 42.047 21.349 1.00 0.00 N HETATM 385 C4 DCZ B 13 24.503 42.137 22.612 1.00 0.00 C HETATM 386 C5 DCZ B 13 23.371 41.474 23.152 1.00 0.00 C HETATM 387 C6 DCZ B 13 22.609 40.752 22.296 1.00 0.00 C HETATM 388 O2 DCZ B 13 24.501 41.214 19.340 1.00 0.00 O HETATM 389 N4 DCZ B 13 25.235 42.900 23.371 1.00 0.00 N HETATM 390 C1' DCZ B 13 22.022 40.001 20.005 1.00 0.00 C HETATM 391 C2' DCZ B 13 21.937 38.497 20.257 1.00 0.00 C HETATM 392 C3' DCZ B 13 20.540 38.153 19.754 1.00 0.00 C HETATM 393 C4' DCZ B 13 19.756 39.424 20.098 1.00 0.00 C HETATM 394 O4' DCZ B 13 20.697 40.497 20.184 1.00 0.00 O HETATM 395 O3' DCZ B 13 20.536 37.917 18.351 1.00 0.00 O HETATM 396 C5' DCZ B 13 18.917 39.281 21.386 1.00 0.00 C HETATM 397 O5' DCZ B 13 19.654 38.862 22.538 1.00 0.00 O HETATM 0 HO51 DCZ B 13 19.050 38.799 23.307 1.00 0.00 H new HETATM 0 HN42 DCZ B 13 25.003 43.011 24.358 1.00 0.00 H new HETATM 0 HN41 DCZ B 13 26.041 43.387 22.979 1.00 0.00 H new HETATM 0 H5'2 DCZ B 13 18.444 40.239 21.603 1.00 0.00 H new HETATM 0 H5'1 DCZ B 13 18.116 38.564 21.204 1.00 0.00 H new HETATM 0 H2'2 DCZ B 13 22.709 37.951 19.714 1.00 0.00 H new HETATM 0 H2'1 DCZ B 13 22.058 38.256 21.313 1.00 0.00 H new HETATM 0 H6 DCZ B 13 21.730 40.224 22.666 1.00 0.00 H new HETATM 0 H5 DCZ B 13 23.125 41.543 24.212 1.00 0.00 H new HETATM 0 H4' DCZ B 13 19.024 39.624 19.315 1.00 0.00 H new HETATM 0 H3' DCZ B 13 20.129 37.245 20.195 1.00 0.00 H new HETATM 0 H1' DCZ B 13 22.418 40.193 19.008 1.00 0.00 H new ATOM 410 P DG B 14 20.445 36.418 17.775 1.00 0.00 P ATOM 411 OP1 DG B 14 20.393 36.491 16.293 1.00 0.00 O ATOM 412 OP2 DG B 14 19.365 35.699 18.496 1.00 0.00 O ATOM 413 O5' DG B 14 21.861 35.805 18.232 1.00 0.00 O ATOM 414 C5' DG B 14 23.026 35.916 17.423 1.00 0.00 C ATOM 415 C4' DG B 14 24.320 35.595 18.188 1.00 0.00 C ATOM 416 O4' DG B 14 24.744 36.701 18.985 1.00 0.00 O ATOM 417 C3' DG B 14 24.192 34.374 19.121 1.00 0.00 C ATOM 418 O3' DG B 14 25.249 33.448 18.943 1.00 0.00 O ATOM 419 C2' DG B 14 24.291 35.030 20.490 1.00 0.00 C ATOM 420 C1' DG B 14 25.261 36.177 20.194 1.00 0.00 C ATOM 421 N9 DG B 14 25.341 37.198 21.276 1.00 0.00 N ATOM 422 C8 DG B 14 24.505 37.376 22.357 1.00 0.00 C ATOM 423 N7 DG B 14 24.884 38.306 23.191 1.00 0.00 N ATOM 424 C5 DG B 14 26.078 38.778 22.633 1.00 0.00 C ATOM 425 C6 DG B 14 27.019 39.762 23.104 1.00 0.00 C ATOM 426 O6 DG B 14 26.987 40.443 24.129 1.00 0.00 O ATOM 427 N1 DG B 14 28.113 39.922 22.281 1.00 0.00 N ATOM 428 C2 DG B 14 28.311 39.206 21.149 1.00 0.00 C ATOM 429 N2 DG B 14 29.449 39.386 20.535 1.00 0.00 N ATOM 430 N3 DG B 14 27.476 38.282 20.675 1.00 0.00 N ATOM 431 C4 DG B 14 26.364 38.110 21.460 1.00 0.00 C ATOM 0 H5' DG B 14 23.089 36.928 17.022 1.00 0.00 H new ATOM 0 H5'' DG B 14 22.936 35.241 16.572 1.00 0.00 H new ATOM 0 H4' DG B 14 25.052 35.372 17.412 1.00 0.00 H new ATOM 0 H3' DG B 14 23.284 33.796 18.949 1.00 0.00 H new ATOM 0 H2' DG B 14 23.325 35.388 20.847 1.00 0.00 H new ATOM 0 H2'' DG B 14 24.677 34.348 21.247 1.00 0.00 H new ATOM 0 H1' DG B 14 26.296 35.842 20.122 1.00 0.00 H new ATOM 0 H8 DG B 14 23.608 36.793 22.503 1.00 0.00 H new ATOM 0 H1 DG B 14 28.812 40.618 22.539 1.00 0.00 H new ATOM 0 H21 DG B 14 29.652 38.873 19.677 1.00 0.00 H new ATOM 0 H22 DG B 14 30.135 40.040 20.913 1.00 0.00 H new ATOM 443 P DA B 15 25.137 32.299 17.824 1.00 0.00 P ATOM 444 OP1 DA B 15 24.657 32.898 16.555 1.00 0.00 O ATOM 445 OP2 DA B 15 24.386 31.161 18.411 1.00 0.00 O ATOM 446 O5' DA B 15 26.657 31.828 17.609 1.00 0.00 O ATOM 447 C5' DA B 15 27.677 32.719 17.163 1.00 0.00 C ATOM 448 C4' DA B 15 28.664 33.128 18.273 1.00 0.00 C ATOM 449 O4' DA B 15 28.224 34.186 19.117 1.00 0.00 O ATOM 450 C3' DA B 15 29.049 31.978 19.215 1.00 0.00 C ATOM 451 O3' DA B 15 30.135 31.216 18.700 1.00 0.00 O ATOM 452 C2' DA B 15 29.377 32.725 20.508 1.00 0.00 C ATOM 453 C1' DA B 15 29.146 34.199 20.193 1.00 0.00 C ATOM 454 N9 DA B 15 28.669 34.927 21.389 1.00 0.00 N ATOM 455 C8 DA B 15 27.524 34.709 22.115 1.00 0.00 C ATOM 456 N7 DA B 15 27.406 35.460 23.178 1.00 0.00 N ATOM 457 C5 DA B 15 28.597 36.202 23.170 1.00 0.00 C ATOM 458 C6 DA B 15 29.179 37.171 24.026 1.00 0.00 C ATOM 459 N6 DA B 15 28.628 37.632 25.132 1.00 0.00 N ATOM 460 N1 DA B 15 30.379 37.690 23.768 1.00 0.00 N ATOM 461 C2 DA B 15 31.021 37.271 22.684 1.00 0.00 C ATOM 462 N3 DA B 15 30.613 36.371 21.793 1.00 0.00 N ATOM 463 C4 DA B 15 29.378 35.875 22.093 1.00 0.00 C ATOM 0 H5' DA B 15 27.212 33.615 16.753 1.00 0.00 H new ATOM 0 H5'' DA B 15 28.231 32.248 16.351 1.00 0.00 H new ATOM 0 H4' DA B 15 29.517 33.459 17.680 1.00 0.00 H new ATOM 0 H3' DA B 15 28.271 31.227 19.354 1.00 0.00 H new ATOM 0 H2' DA B 15 28.738 32.393 21.326 1.00 0.00 H new ATOM 0 H2'' DA B 15 30.407 32.546 20.815 1.00 0.00 H new ATOM 0 H1' DA B 15 30.053 34.733 19.911 1.00 0.00 H new ATOM 0 H8 DA B 15 26.782 33.977 21.831 1.00 0.00 H new ATOM 0 H61 DA B 15 29.116 38.331 25.692 1.00 0.00 H new ATOM 0 H62 DA B 15 27.714 37.289 25.427 1.00 0.00 H new ATOM 0 H2 DA B 15 31.990 37.713 22.504 1.00 0.00 H new ATOM 475 P DT B 16 30.677 29.885 19.441 1.00 0.00 P ATOM 476 OP1 DT B 16 31.484 29.117 18.459 1.00 0.00 O ATOM 477 OP2 DT B 16 29.540 29.211 20.120 1.00 0.00 O ATOM 478 O5' DT B 16 31.659 30.488 20.566 1.00 0.00 O ATOM 479 C5' DT B 16 32.846 31.185 20.202 1.00 0.00 C ATOM 480 C4' DT B 16 33.466 31.965 21.370 1.00 0.00 C ATOM 481 O4' DT B 16 32.593 32.972 21.856 1.00 0.00 O ATOM 482 C3' DT B 16 33.800 31.082 22.570 1.00 0.00 C ATOM 483 O3' DT B 16 35.078 30.493 22.376 1.00 0.00 O ATOM 484 C2' DT B 16 33.810 32.100 23.709 1.00 0.00 C ATOM 485 C1' DT B 16 32.907 33.237 23.212 1.00 0.00 C ATOM 486 N1 DT B 16 31.657 33.389 24.009 1.00 0.00 N ATOM 487 C2 DT B 16 31.652 34.365 25.007 1.00 0.00 C ATOM 488 O2 DT B 16 32.643 35.016 25.330 1.00 0.00 O ATOM 489 N3 DT B 16 30.470 34.576 25.666 1.00 0.00 N ATOM 490 C4 DT B 16 29.299 33.884 25.473 1.00 0.00 C ATOM 491 O4 DT B 16 28.303 34.234 26.108 1.00 0.00 O ATOM 492 C5 DT B 16 29.396 32.796 24.497 1.00 0.00 C ATOM 493 C7 DT B 16 28.201 31.891 24.254 1.00 0.00 C ATOM 494 C6 DT B 16 30.552 32.584 23.805 1.00 0.00 C ATOM 0 H5' DT B 16 32.620 31.876 19.390 1.00 0.00 H new ATOM 0 H5'' DT B 16 33.577 30.472 19.820 1.00 0.00 H new ATOM 0 H4' DT B 16 34.377 32.393 20.952 1.00 0.00 H new ATOM 0 H3' DT B 16 33.114 30.254 22.747 1.00 0.00 H new ATOM 0 H2' DT B 16 33.430 31.666 24.634 1.00 0.00 H new ATOM 0 H2'' DT B 16 34.819 32.456 23.915 1.00 0.00 H new ATOM 0 H1' DT B 16 33.445 34.178 23.324 1.00 0.00 H new ATOM 0 H3 DT B 16 30.458 35.317 26.367 1.00 0.00 H new ATOM 0 H71 DT B 16 28.219 31.533 23.225 1.00 0.00 H new ATOM 0 H72 DT B 16 28.244 31.041 24.935 1.00 0.00 H new ATOM 0 H73 DT B 16 27.281 32.449 24.428 1.00 0.00 H new ATOM 0 H6 DT B 16 30.605 31.777 23.089 1.00 0.00 H new ATOM 507 P DG B 17 35.314 28.906 22.485 1.00 0.00 P ATOM 508 OP1 DG B 17 36.645 28.600 21.903 1.00 0.00 O ATOM 509 OP2 DG B 17 34.125 28.188 21.966 1.00 0.00 O ATOM 510 O5' DG B 17 35.376 28.683 24.070 1.00 0.00 O ATOM 511 C5' DG B 17 36.530 29.024 24.828 1.00 0.00 C ATOM 512 C4' DG B 17 36.326 28.760 26.325 1.00 0.00 C ATOM 513 O4' DG B 17 35.379 29.682 26.850 1.00 0.00 O ATOM 514 C3' DG B 17 35.795 27.341 26.597 1.00 0.00 C ATOM 515 O3' DG B 17 36.321 26.784 27.785 1.00 0.00 O ATOM 516 C2' DG B 17 34.311 27.601 26.788 1.00 0.00 C ATOM 517 C1' DG B 17 34.327 28.969 27.474 1.00 0.00 C ATOM 518 N9 DG B 17 33.061 29.735 27.351 1.00 0.00 N ATOM 519 C8 DG B 17 32.135 29.740 26.332 1.00 0.00 C ATOM 520 N7 DG B 17 31.131 30.557 26.520 1.00 0.00 N ATOM 521 C5 DG B 17 31.410 31.140 27.763 1.00 0.00 C ATOM 522 C6 DG B 17 30.702 32.119 28.550 1.00 0.00 C ATOM 523 O6 DG B 17 29.633 32.675 28.321 1.00 0.00 O ATOM 524 N1 DG B 17 31.338 32.459 29.727 1.00 0.00 N ATOM 525 C2 DG B 17 32.492 31.900 30.140 1.00 0.00 C ATOM 526 N2 DG B 17 32.997 32.318 31.266 1.00 0.00 N ATOM 527 N3 DG B 17 33.178 30.993 29.454 1.00 0.00 N ATOM 528 C4 DG B 17 32.590 30.646 28.270 1.00 0.00 C ATOM 0 H5' DG B 17 36.769 30.076 24.674 1.00 0.00 H new ATOM 0 H5'' DG B 17 37.383 28.448 24.470 1.00 0.00 H new ATOM 0 H4' DG B 17 37.300 28.872 26.802 1.00 0.00 H new ATOM 0 H3' DG B 17 36.056 26.639 25.805 1.00 0.00 H new ATOM 0 H2' DG B 17 33.773 27.624 25.840 1.00 0.00 H new ATOM 0 H2'' DG B 17 33.837 26.838 27.405 1.00 0.00 H new ATOM 0 H1' DG B 17 34.460 28.830 28.547 1.00 0.00 H new ATOM 0 H8 DG B 17 32.230 29.121 25.452 1.00 0.00 H new ATOM 0 H1 DG B 17 30.910 33.173 30.317 1.00 0.00 H new ATOM 0 H21 DG B 17 33.870 31.919 31.613 1.00 0.00 H new ATOM 0 H22 DG B 17 32.520 33.044 31.801 1.00 0.00 H new ATOM 540 P DT B 18 37.715 25.991 27.785 1.00 0.00 P ATOM 541 OP1 DT B 18 38.658 26.637 26.839 1.00 0.00 O ATOM 542 OP2 DT B 18 37.431 24.541 27.649 1.00 0.00 O ATOM 543 O5' DT B 18 38.225 26.273 29.281 1.00 0.00 O ATOM 544 C5' DT B 18 38.522 27.596 29.721 1.00 0.00 C ATOM 545 C4' DT B 18 37.633 28.046 30.890 1.00 0.00 C ATOM 546 O4' DT B 18 36.280 28.287 30.524 1.00 0.00 O ATOM 547 C3' DT B 18 37.619 27.043 32.052 1.00 0.00 C ATOM 548 O3' DT B 18 38.345 27.603 33.140 1.00 0.00 O ATOM 549 C2' DT B 18 36.122 26.843 32.319 1.00 0.00 C ATOM 550 C1' DT B 18 35.493 28.080 31.684 1.00 0.00 C ATOM 551 N1 DT B 18 34.046 27.975 31.330 1.00 0.00 N ATOM 552 C2 DT B 18 33.149 28.869 31.935 1.00 0.00 C ATOM 553 O2 DT B 18 33.419 29.571 32.906 1.00 0.00 O ATOM 554 N3 DT B 18 31.885 28.945 31.406 1.00 0.00 N ATOM 555 C4 DT B 18 31.435 28.219 30.331 1.00 0.00 C ATOM 556 O4 DT B 18 30.357 28.518 29.828 1.00 0.00 O ATOM 557 C5 DT B 18 32.329 27.147 29.898 1.00 0.00 C ATOM 558 C7 DT B 18 31.827 26.123 28.893 1.00 0.00 C ATOM 559 C6 DT B 18 33.598 27.068 30.388 1.00 0.00 C ATOM 0 H5' DT B 18 38.397 28.288 28.888 1.00 0.00 H new ATOM 0 H5'' DT B 18 39.568 27.647 30.024 1.00 0.00 H new ATOM 0 H4' DT B 18 38.093 28.983 31.205 1.00 0.00 H new ATOM 0 H3' DT B 18 38.098 26.082 31.861 1.00 0.00 H new ATOM 0 H2' DT B 18 35.750 25.924 31.866 1.00 0.00 H new ATOM 0 H2'' DT B 18 35.907 26.783 33.386 1.00 0.00 H new ATOM 0 H1' DT B 18 35.495 28.902 32.400 1.00 0.00 H new ATOM 0 H3 DT B 18 31.229 29.591 31.845 1.00 0.00 H new ATOM 0 H71 DT B 18 30.751 25.995 29.011 1.00 0.00 H new ATOM 0 H72 DT B 18 32.043 26.469 27.882 1.00 0.00 H new ATOM 0 H73 DT B 18 32.327 25.170 29.065 1.00 0.00 H new ATOM 0 H6 DT B 18 34.260 26.290 30.037 1.00 0.00 H new ATOM 572 P DA B 19 38.990 26.688 34.304 1.00 0.00 P ATOM 573 OP1 DA B 19 40.105 27.450 34.920 1.00 0.00 O ATOM 574 OP2 DA B 19 39.261 25.328 33.777 1.00 0.00 O ATOM 575 O5' DA B 19 37.784 26.593 35.360 1.00 0.00 O ATOM 576 C5' DA B 19 37.417 27.736 36.117 1.00 0.00 C ATOM 577 C4' DA B 19 36.016 27.633 36.723 1.00 0.00 C ATOM 578 O4' DA B 19 35.019 27.585 35.713 1.00 0.00 O ATOM 579 C3' DA B 19 35.794 26.437 37.657 1.00 0.00 C ATOM 580 O3' DA B 19 35.528 26.951 38.957 1.00 0.00 O ATOM 581 C2' DA B 19 34.609 25.726 36.987 1.00 0.00 C ATOM 582 C1' DA B 19 33.923 26.856 36.222 1.00 0.00 C ATOM 583 N9 DA B 19 33.090 26.410 35.081 1.00 0.00 N ATOM 584 C8 DA B 19 33.444 25.543 34.075 1.00 0.00 C ATOM 585 N7 DA B 19 32.548 25.403 33.134 1.00 0.00 N ATOM 586 C5 DA B 19 31.509 26.238 33.574 1.00 0.00 C ATOM 587 C6 DA B 19 30.236 26.584 33.065 1.00 0.00 C ATOM 588 N6 DA B 19 29.735 26.122 31.940 1.00 0.00 N ATOM 589 N1 DA B 19 29.441 27.443 33.702 1.00 0.00 N ATOM 590 C2 DA B 19 29.875 27.955 34.843 1.00 0.00 C ATOM 591 N3 DA B 19 31.036 27.733 35.451 1.00 0.00 N ATOM 592 C4 DA B 19 31.823 26.855 34.757 1.00 0.00 C ATOM 0 H5' DA B 19 37.466 28.618 35.478 1.00 0.00 H new ATOM 0 H5'' DA B 19 38.142 27.882 36.917 1.00 0.00 H new ATOM 0 H4' DA B 19 35.933 28.537 37.327 1.00 0.00 H new ATOM 0 H3' DA B 19 36.625 25.745 37.791 1.00 0.00 H new ATOM 0 H2' DA B 19 34.940 24.929 36.321 1.00 0.00 H new ATOM 0 H2'' DA B 19 33.943 25.272 37.721 1.00 0.00 H new ATOM 0 H1' DA B 19 33.237 27.398 36.873 1.00 0.00 H new ATOM 0 H8 DA B 19 34.388 25.019 34.063 1.00 0.00 H new ATOM 0 H61 DA B 19 28.807 26.417 31.636 1.00 0.00 H new ATOM 0 H62 DA B 19 30.274 25.469 31.372 1.00 0.00 H new ATOM 0 H2 DA B 19 29.203 28.637 35.342 1.00 0.00 H new ATOM 604 P DC B 20 35.357 26.012 40.254 1.00 0.00 P ATOM 605 OP1 DC B 20 35.587 26.845 41.461 1.00 0.00 O ATOM 606 OP2 DC B 20 36.158 24.775 40.071 1.00 0.00 O ATOM 607 O5' DC B 20 33.800 25.629 40.180 1.00 0.00 O ATOM 608 C5' DC B 20 32.800 26.628 40.335 1.00 0.00 C ATOM 609 C4' DC B 20 31.398 26.127 39.967 1.00 0.00 C ATOM 610 O4' DC B 20 31.249 25.894 38.571 1.00 0.00 O ATOM 611 C3' DC B 20 31.001 24.830 40.690 1.00 0.00 C ATOM 612 O3' DC B 20 30.067 25.127 41.722 1.00 0.00 O ATOM 613 C2' DC B 20 30.448 23.969 39.545 1.00 0.00 C ATOM 614 C1' DC B 20 30.175 24.985 38.432 1.00 0.00 C ATOM 615 N1 DC B 20 30.149 24.408 37.055 1.00 0.00 N ATOM 616 C2 DC B 20 29.019 24.598 36.242 1.00 0.00 C ATOM 617 O2 DC B 20 28.026 25.214 36.632 1.00 0.00 O ATOM 618 N3 DC B 20 28.985 24.113 34.971 1.00 0.00 N ATOM 619 C4 DC B 20 30.037 23.456 34.526 1.00 0.00 C ATOM 620 N4 DC B 20 29.988 23.044 33.289 1.00 0.00 N ATOM 621 C5 DC B 20 31.211 23.240 35.294 1.00 0.00 C ATOM 622 C6 DC B 20 31.235 23.733 36.557 1.00 0.00 C ATOM 0 H5' DC B 20 33.050 27.486 39.711 1.00 0.00 H new ATOM 0 H5'' DC B 20 32.797 26.976 41.368 1.00 0.00 H new ATOM 0 H4' DC B 20 30.743 26.936 40.289 1.00 0.00 H new ATOM 0 H3' DC B 20 31.805 24.309 41.210 1.00 0.00 H new ATOM 0 H2' DC B 20 31.166 23.212 39.230 1.00 0.00 H new ATOM 0 H2'' DC B 20 29.540 23.444 39.840 1.00 0.00 H new ATOM 0 H1' DC B 20 29.183 25.424 38.537 1.00 0.00 H new ATOM 0 H41 DC B 20 30.774 22.530 32.891 1.00 0.00 H new ATOM 0 H42 DC B 20 29.164 23.236 32.720 1.00 0.00 H new ATOM 0 H5 DC B 20 32.055 22.702 34.887 1.00 0.00 H new ATOM 0 H6 DC B 20 32.111 23.594 37.173 1.00 0.00 H new ATOM 634 P DA B 21 29.577 24.023 42.794 1.00 0.00 P ATOM 635 OP1 DA B 21 29.110 24.737 44.010 1.00 0.00 O ATOM 636 OP2 DA B 21 30.624 22.979 42.936 1.00 0.00 O ATOM 637 O5' DA B 21 28.304 23.369 42.060 1.00 0.00 O ATOM 638 C5' DA B 21 27.137 24.145 41.811 1.00 0.00 C ATOM 639 C4' DA B 21 26.271 23.570 40.683 1.00 0.00 C ATOM 640 O4' DA B 21 27.000 23.450 39.471 1.00 0.00 O ATOM 641 C3' DA B 21 25.739 22.161 40.948 1.00 0.00 C ATOM 642 O3' DA B 21 24.578 22.196 41.769 1.00 0.00 O ATOM 643 C2' DA B 21 25.460 21.662 39.526 1.00 0.00 C ATOM 644 C1' DA B 21 26.226 22.630 38.621 1.00 0.00 C ATOM 645 N9 DA B 21 27.049 21.981 37.579 1.00 0.00 N ATOM 646 C8 DA B 21 28.273 21.365 37.702 1.00 0.00 C ATOM 647 N7 DA B 21 28.724 20.842 36.588 1.00 0.00 N ATOM 648 C5 DA B 21 27.716 21.157 35.658 1.00 0.00 C ATOM 649 C6 DA B 21 27.515 20.933 34.271 1.00 0.00 C ATOM 650 N6 DA B 21 28.330 20.271 33.470 1.00 0.00 N ATOM 651 N1 DA B 21 26.446 21.413 33.639 1.00 0.00 N ATOM 652 C2 DA B 21 25.556 22.086 34.352 1.00 0.00 C ATOM 653 N3 DA B 21 25.580 22.358 35.651 1.00 0.00 N ATOM 654 C4 DA B 21 26.704 21.867 36.251 1.00 0.00 C ATOM 0 H5' DA B 21 27.431 25.163 41.555 1.00 0.00 H new ATOM 0 H5'' DA B 21 26.544 24.205 42.724 1.00 0.00 H new ATOM 0 H4' DA B 21 25.448 24.282 40.621 1.00 0.00 H new ATOM 0 H3' DA B 21 26.420 21.511 41.497 1.00 0.00 H new ATOM 0 H2' DA B 21 25.804 20.637 39.391 1.00 0.00 H new ATOM 0 H2'' DA B 21 24.393 21.672 39.304 1.00 0.00 H new ATOM 0 H1' DA B 21 25.509 23.212 38.042 1.00 0.00 H new ATOM 0 H8 DA B 21 28.815 21.317 38.635 1.00 0.00 H new ATOM 0 H61 DA B 21 28.098 20.162 32.483 1.00 0.00 H new ATOM 0 H62 DA B 21 29.192 19.868 33.839 1.00 0.00 H new ATOM 0 H2 DA B 21 24.702 22.461 33.807 1.00 0.00 H new ATOM 666 P DT B 22 23.866 20.849 42.299 1.00 0.00 P ATOM 667 OP1 DT B 22 23.005 21.215 43.453 1.00 0.00 O ATOM 668 OP2 DT B 22 24.904 19.804 42.486 1.00 0.00 O ATOM 669 O5' DT B 22 22.925 20.417 41.060 1.00 0.00 O ATOM 670 C5' DT B 22 21.713 21.112 40.782 1.00 0.00 C ATOM 671 C4' DT B 22 20.955 20.559 39.566 1.00 0.00 C ATOM 672 O4' DT B 22 21.618 20.841 38.343 1.00 0.00 O ATOM 673 C3' DT B 22 20.789 19.038 39.595 1.00 0.00 C ATOM 674 O3' DT B 22 19.737 18.626 40.457 1.00 0.00 O ATOM 675 C2' DT B 22 20.456 18.778 38.130 1.00 0.00 C ATOM 676 C1' DT B 22 21.223 19.871 37.378 1.00 0.00 C ATOM 677 N1 DT B 22 22.430 19.344 36.680 1.00 0.00 N ATOM 678 C2 DT B 22 22.349 19.121 35.298 1.00 0.00 C ATOM 679 O2 DT B 22 21.322 19.289 34.637 1.00 0.00 O ATOM 680 N3 DT B 22 23.498 18.694 34.670 1.00 0.00 N ATOM 681 C4 DT B 22 24.706 18.455 35.286 1.00 0.00 C ATOM 682 O4 DT B 22 25.659 18.102 34.594 1.00 0.00 O ATOM 683 C5 DT B 22 24.704 18.642 36.737 1.00 0.00 C ATOM 684 C7 DT B 22 25.940 18.317 37.557 1.00 0.00 C ATOM 685 C6 DT B 22 23.584 19.064 37.381 1.00 0.00 C ATOM 0 H5' DT B 22 21.938 22.165 40.612 1.00 0.00 H new ATOM 0 H5'' DT B 22 21.066 21.062 41.657 1.00 0.00 H new ATOM 0 H4' DT B 22 19.986 21.054 39.624 1.00 0.00 H new ATOM 0 H3' DT B 22 21.654 18.495 39.975 1.00 0.00 H new ATOM 0 H2' DT B 22 20.772 17.782 37.819 1.00 0.00 H new ATOM 0 H2'' DT B 22 19.384 18.844 37.946 1.00 0.00 H new ATOM 0 H1' DT B 22 20.578 20.295 36.608 1.00 0.00 H new ATOM 0 H3 DT B 22 23.450 18.542 33.663 1.00 0.00 H new ATOM 0 H71 DT B 22 26.496 17.513 37.074 1.00 0.00 H new ATOM 0 H72 DT B 22 26.571 19.202 37.630 1.00 0.00 H new ATOM 0 H73 DT B 22 25.641 18.001 38.557 1.00 0.00 H new ATOM 0 H6 DT B 22 23.598 19.181 38.455 1.00 0.00 H new ATOM 698 P DC B 23 19.783 17.205 41.216 1.00 0.00 P ATOM 699 OP1 DC B 23 18.576 17.108 42.075 1.00 0.00 O ATOM 700 OP2 DC B 23 21.119 17.032 41.839 1.00 0.00 O ATOM 701 O5' DC B 23 19.650 16.137 40.019 1.00 0.00 O ATOM 702 C5' DC B 23 18.442 16.003 39.280 1.00 0.00 C ATOM 703 C4' DC B 23 18.589 15.016 38.114 1.00 0.00 C ATOM 704 O4' DC B 23 19.594 15.469 37.210 1.00 0.00 O ATOM 705 C3' DC B 23 18.952 13.594 38.582 1.00 0.00 C ATOM 706 O3' DC B 23 17.906 12.677 38.271 1.00 0.00 O ATOM 707 C2' DC B 23 20.260 13.316 37.846 1.00 0.00 C ATOM 708 C1' DC B 23 20.323 14.357 36.730 1.00 0.00 C ATOM 709 N1 DC B 23 21.739 14.727 36.451 1.00 0.00 N ATOM 710 C2 DC B 23 22.333 14.324 35.248 1.00 0.00 C ATOM 711 O2 DC B 23 21.679 13.841 34.323 1.00 0.00 O ATOM 712 N3 DC B 23 23.668 14.446 35.056 1.00 0.00 N ATOM 713 C4 DC B 23 24.395 14.955 36.028 1.00 0.00 C ATOM 714 N4 DC B 23 25.672 15.027 35.797 1.00 0.00 N ATOM 715 C5 DC B 23 23.853 15.422 37.255 1.00 0.00 C ATOM 716 C6 DC B 23 22.513 15.301 37.430 1.00 0.00 C ATOM 0 H5' DC B 23 18.143 16.978 38.895 1.00 0.00 H new ATOM 0 H5'' DC B 23 17.646 15.664 39.944 1.00 0.00 H new ATOM 0 H4' DC B 23 17.618 14.973 37.620 1.00 0.00 H new ATOM 0 H3' DC B 23 19.073 13.489 39.660 1.00 0.00 H new ATOM 0 H2' DC B 23 21.115 13.405 38.516 1.00 0.00 H new ATOM 0 H2'' DC B 23 20.276 12.304 37.441 1.00 0.00 H new ATOM 0 H1' DC B 23 19.906 13.983 35.795 1.00 0.00 H new ATOM 0 H41 DC B 23 26.298 15.411 36.505 1.00 0.00 H new ATOM 0 H42 DC B 23 26.049 14.700 34.907 1.00 0.00 H new ATOM 0 H5 DC B 23 24.482 15.856 38.018 1.00 0.00 H new ATOM 0 H6 DC B 23 22.054 15.657 38.341 1.00 0.00 H new ATOM 728 P DG B 24 17.973 11.105 38.654 1.00 0.00 P ATOM 729 OP1 DG B 24 16.583 10.597 38.750 1.00 0.00 O ATOM 730 OP2 DG B 24 18.885 10.923 39.810 1.00 0.00 O ATOM 731 O5' DG B 24 18.663 10.451 37.352 1.00 0.00 O ATOM 732 C5' DG B 24 18.045 10.569 36.075 1.00 0.00 C ATOM 733 C4' DG B 24 18.981 10.247 34.898 1.00 0.00 C ATOM 734 O4' DG B 24 20.159 11.054 34.956 1.00 0.00 O ATOM 735 C3' DG B 24 19.438 8.775 34.864 1.00 0.00 C ATOM 736 O3' DG B 24 19.416 8.261 33.533 1.00 0.00 O ATOM 737 C2' DG B 24 20.872 8.882 35.364 1.00 0.00 C ATOM 738 C1' DG B 24 21.281 10.212 34.737 1.00 0.00 C ATOM 739 N9 DG B 24 22.531 10.738 35.333 1.00 0.00 N ATOM 740 C8 DG B 24 22.787 11.072 36.640 1.00 0.00 C ATOM 741 N7 DG B 24 24.027 11.414 36.878 1.00 0.00 N ATOM 742 C5 DG B 24 24.652 11.269 35.629 1.00 0.00 C ATOM 743 C6 DG B 24 26.025 11.432 35.216 1.00 0.00 C ATOM 744 O6 DG B 24 27.008 11.763 35.884 1.00 0.00 O ATOM 745 N1 DG B 24 26.241 11.141 33.882 1.00 0.00 N ATOM 746 C2 DG B 24 25.266 10.725 33.035 1.00 0.00 C ATOM 747 N2 DG B 24 25.606 10.440 31.805 1.00 0.00 N ATOM 748 N3 DG B 24 23.990 10.558 33.368 1.00 0.00 N ATOM 749 C4 DG B 24 23.740 10.850 34.682 1.00 0.00 C ATOM 0 H5' DG B 24 17.666 11.584 35.958 1.00 0.00 H new ATOM 0 H5'' DG B 24 17.184 9.901 36.035 1.00 0.00 H new ATOM 0 H4' DG B 24 18.396 10.454 34.002 1.00 0.00 H new ATOM 0 H3' DG B 24 18.805 8.107 35.449 1.00 0.00 H new ATOM 0 H2' DG B 24 20.932 8.900 36.452 1.00 0.00 H new ATOM 0 H2'' DG B 24 21.494 8.054 35.024 1.00 0.00 H new ATOM 0 HO3' DG B 24 19.712 7.327 33.538 1.00 0.00 H new ATOM 0 H1' DG B 24 21.516 10.128 33.676 1.00 0.00 H new ATOM 0 H8 DG B 24 22.028 11.054 37.408 1.00 0.00 H new ATOM 0 H1 DG B 24 27.186 11.245 33.514 1.00 0.00 H new ATOM 0 H21 DG B 24 24.899 10.124 31.141 1.00 0.00 H new ATOM 0 H22 DG B 24 26.578 10.533 31.510 1.00 0.00 H new TER 762 DG B 24 HETATM 763 O81 9TK A 101 23.248 29.702 38.552 1.00 0.00 O HETATM 764 C81 9TK A 101 23.812 29.214 37.578 1.00 0.00 C HETATM 765 C83 9TK A 101 21.576 26.949 35.789 1.00 0.00 C HETATM 766 N81 9TK A 101 21.850 27.814 36.824 1.00 0.00 N HETATM 767 C88 9TK A 101 20.877 28.205 37.854 1.00 0.00 C HETATM 768 C82 9TK A 101 23.180 28.200 36.663 1.00 0.00 C HETATM 769 N82 9TK A 101 23.738 27.590 35.621 1.00 0.00 N HETATM 770 C84 9TK A 101 22.739 26.811 35.085 1.00 0.00 C HETATM 776 N PYB A 102 25.105 29.591 37.211 1.00 0.00 N HETATM 777 CA PYB A 102 25.942 30.492 37.864 1.00 0.00 C HETATM 778 CB1 PYB A 102 27.212 30.924 37.395 1.00 0.00 C HETATM 779 CB PYB A 102 25.685 31.103 39.062 1.00 0.00 C HETATM 780 CG1 PYB A 102 27.716 31.806 38.325 1.00 0.00 C HETATM 781 NG2 PYB A 102 26.756 31.938 39.338 1.00 0.00 N HETATM 782 CD PYB A 102 26.764 32.840 40.500 1.00 0.00 C HETATM 783 C PYB A 102 29.030 32.504 38.413 1.00 0.00 C HETATM 784 O PYB A 102 29.343 33.141 39.409 1.00 0.00 O HETATM 0 HD3 PYB A 102 25.928 33.535 40.427 1.00 0.00 H new HETATM 0 HD2 PYB A 102 26.671 32.255 41.415 1.00 0.00 H new HETATM 0 HD1 PYB A 102 27.700 33.399 40.520 1.00 0.00 H new HETATM 0 HB1 PYB A 102 27.698 30.614 36.470 1.00 0.00 H new HETATM 0 HB PYB A 102 24.801 30.959 39.684 1.00 0.00 H new HETATM 0 H PYB A 102 25.390 29.184 36.320 1.00 0.00 H new HETATM 791 N PYB A 103 29.884 32.410 37.319 1.00 0.00 N HETATM 792 CA PYB A 103 31.196 32.893 37.290 1.00 0.00 C HETATM 793 CB1 PYB A 103 31.982 33.158 36.136 1.00 0.00 C HETATM 794 CB PYB A 103 31.941 33.204 38.397 1.00 0.00 C HETATM 795 CG1 PYB A 103 33.186 33.681 36.563 1.00 0.00 C HETATM 796 NG2 PYB A 103 33.139 33.740 37.964 1.00 0.00 N HETATM 797 CD PYB A 103 34.119 34.311 38.901 1.00 0.00 C HETATM 798 C PYB A 103 34.411 34.107 35.824 1.00 0.00 C HETATM 799 O PYB A 103 35.420 34.460 36.418 1.00 0.00 O HETATM 0 HD3 PYB A 103 33.663 35.139 39.444 1.00 0.00 H new HETATM 0 HD2 PYB A 103 34.436 33.544 39.608 1.00 0.00 H new HETATM 0 HD1 PYB A 103 34.984 34.673 38.346 1.00 0.00 H new HETATM 0 HB1 PYB A 103 31.688 32.981 35.102 1.00 0.00 H new HETATM 0 HB PYB A 103 31.642 33.055 39.435 1.00 0.00 H new HETATM 0 H PYB A 103 29.394 32.211 36.447 1.00 0.00 H new HETATM 806 N PYB A 104 34.367 34.096 34.432 1.00 0.00 N HETATM 807 CA PYB A 104 35.442 34.383 33.584 1.00 0.00 C HETATM 808 CB1 PYB A 104 35.370 34.597 32.182 1.00 0.00 C HETATM 809 CB PYB A 104 36.754 34.514 33.967 1.00 0.00 C HETATM 810 CG1 PYB A 104 36.642 34.905 31.740 1.00 0.00 C HETATM 811 NG2 PYB A 104 37.493 34.854 32.847 1.00 0.00 N HETATM 812 CD PYB A 104 38.946 35.078 32.896 1.00 0.00 C HETATM 813 C PYB A 104 37.168 35.191 30.376 1.00 0.00 C HETATM 814 O PYB A 104 38.334 35.466 30.134 1.00 0.00 O HETATM 0 HD3 PYB A 104 39.165 35.896 33.582 1.00 0.00 H new HETATM 0 HD2 PYB A 104 39.442 34.171 33.242 1.00 0.00 H new HETATM 0 HD1 PYB A 104 39.309 35.333 31.900 1.00 0.00 H new HETATM 0 HB1 PYB A 104 34.473 34.530 31.566 1.00 0.00 H new HETATM 0 HB PYB A 104 37.145 34.375 34.975 1.00 0.00 H new HETATM 0 H PYB A 104 33.423 34.024 34.052 1.00 0.00 H new HETATM 821 N ABU A 105 36.261 35.079 29.346 1.00 0.00 N HETATM 822 CA ABU A 105 36.706 35.083 27.939 1.00 0.00 C HETATM 823 CB ABU A 105 35.817 34.269 26.975 1.00 0.00 C HETATM 824 CG ABU A 105 35.458 32.835 27.453 1.00 0.00 C HETATM 825 CD ABU A 105 36.479 32.180 28.398 1.00 0.00 C HETATM 826 OE1 ABU A 105 37.667 32.073 28.136 1.00 0.00 O HETATM 0 H ABU A 105 35.253 34.988 29.475 1.00 0.00 H new HETATM 0 HB1 ABU A 105 34.892 34.820 26.807 1.00 0.00 H new HETATM 0 HB2 ABU A 105 36.324 34.197 26.013 1.00 0.00 H new HETATM 0 HG1 ABU A 105 34.832 32.348 26.705 1.00 0.00 H new HETATM 0 HG2 ABU A 105 36.372 32.258 27.591 1.00 0.00 H new HETATM 0 HE2 ABU A 105 34.918 32.891 28.398 1.00 0.00 H new HETATM 834 N IMT A 106 35.931 31.800 29.596 1.00 0.00 N HETATM 835 CA IMT A 106 36.518 31.575 30.805 1.00 0.00 C HETATM 836 NB1 IMT A 106 35.799 31.332 31.940 1.00 0.00 N HETATM 837 CB IMT A 106 37.858 31.663 31.071 1.00 0.00 C HETATM 838 CG1 IMT A 106 36.698 31.285 32.920 1.00 0.00 C HETATM 839 NG2 IMT A 106 37.992 31.449 32.426 1.00 0.00 N HETATM 840 CD IMT A 106 39.274 31.366 33.141 1.00 0.00 C HETATM 841 C IMT A 106 36.448 31.116 34.396 1.00 0.00 C HETATM 842 O IMT A 106 37.325 31.218 35.250 1.00 0.00 O HETATM 0 HN2 IMT A 106 34.914 31.791 29.513 1.00 0.00 H new HETATM 0 HD3 IMT A 106 39.864 30.544 32.736 1.00 0.00 H new HETATM 0 HD2 IMT A 106 39.821 32.301 33.017 1.00 0.00 H new HETATM 0 HD1 IMT A 106 39.089 31.191 34.201 1.00 0.00 H new HETATM 0 HB IMT A 106 38.657 31.862 30.356 1.00 0.00 H new HETATM 848 N PYB A 107 35.130 30.820 34.739 1.00 0.00 N HETATM 849 CA PYB A 107 34.605 30.672 36.021 1.00 0.00 C HETATM 850 CB1 PYB A 107 33.319 30.153 36.338 1.00 0.00 C HETATM 851 CB PYB A 107 35.244 31.002 37.185 1.00 0.00 C HETATM 852 CG1 PYB A 107 33.205 30.142 37.712 1.00 0.00 C HETATM 853 NG2 PYB A 107 34.422 30.613 38.229 1.00 0.00 N HETATM 854 CD PYB A 107 34.882 30.641 39.626 1.00 0.00 C HETATM 855 C PYB A 107 32.070 29.796 38.621 1.00 0.00 C HETATM 856 O PYB A 107 32.153 29.999 39.825 1.00 0.00 O HETATM 0 HD3 PYB A 107 35.747 29.988 39.737 1.00 0.00 H new HETATM 0 HD2 PYB A 107 35.159 31.660 39.897 1.00 0.00 H new HETATM 0 HD1 PYB A 107 34.081 30.297 40.280 1.00 0.00 H new HETATM 0 HB1 PYB A 107 32.563 29.824 35.625 1.00 0.00 H new HETATM 0 HB PYB A 107 36.219 31.482 37.274 1.00 0.00 H new HETATM 0 H PYB A 107 34.578 30.545 33.927 1.00 0.00 H new HETATM 863 N PYB A 108 30.921 29.225 38.072 1.00 0.00 N HETATM 864 CA PYB A 108 29.740 28.955 38.781 1.00 0.00 C HETATM 865 CB1 PYB A 108 28.663 28.107 38.387 1.00 0.00 C HETATM 866 CB PYB A 108 29.437 29.472 40.015 1.00 0.00 C HETATM 867 CG1 PYB A 108 27.757 28.064 39.433 1.00 0.00 C HETATM 868 NG2 PYB A 108 28.235 28.929 40.427 1.00 0.00 N HETATM 869 CD PYB A 108 27.625 29.287 41.718 1.00 0.00 C HETATM 870 C PYB A 108 26.469 27.328 39.633 1.00 0.00 C HETATM 871 O PYB A 108 25.853 27.390 40.688 1.00 0.00 O HETATM 0 HD3 PYB A 108 28.305 29.021 42.528 1.00 0.00 H new HETATM 0 HD2 PYB A 108 27.431 30.359 41.744 1.00 0.00 H new HETATM 0 HD1 PYB A 108 26.687 28.746 41.840 1.00 0.00 H new HETATM 0 HB1 PYB A 108 28.570 27.586 37.434 1.00 0.00 H new HETATM 0 HB PYB A 108 30.040 30.187 40.574 1.00 0.00 H new HETATM 0 H PYB A 108 31.081 28.791 37.163 1.00 0.00 H new HETATM 878 N PYB A 109 25.986 26.559 38.584 1.00 0.00 N HETATM 879 CA PYB A 109 24.735 25.928 38.544 1.00 0.00 C HETATM 880 CB1 PYB A 109 24.272 25.118 37.484 1.00 0.00 C HETATM 881 CB PYB A 109 23.732 26.001 39.483 1.00 0.00 C HETATM 882 CG1 PYB A 109 22.991 24.710 37.782 1.00 0.00 C HETATM 883 NG2 PYB A 109 22.663 25.238 39.030 1.00 0.00 N HETATM 884 CD PYB A 109 21.421 25.049 39.791 1.00 0.00 C HETATM 885 C PYB A 109 22.031 23.922 36.965 1.00 0.00 C HETATM 886 O PYB A 109 20.853 23.735 37.234 1.00 0.00 O HETATM 0 HD3 PYB A 109 21.648 24.577 40.747 1.00 0.00 H new HETATM 0 HD2 PYB A 109 20.951 26.017 39.967 1.00 0.00 H new HETATM 0 HD1 PYB A 109 20.741 24.413 39.225 1.00 0.00 H new HETATM 0 HB1 PYB A 109 24.832 24.860 36.585 1.00 0.00 H new HETATM 0 HB PYB A 109 23.770 26.560 40.418 1.00 0.00 H new HETATM 0 H PYB A 109 26.638 26.448 37.808 1.00 0.00 H new HETATM 893 C01 9T8 A 110 13.878 23.105 29.938 1.00 0.00 C HETATM 894 N02 9T8 A 110 19.006 22.662 33.593 1.00 0.00 N HETATM 895 C03 9T8 A 110 15.670 22.731 31.642 1.00 0.00 C HETATM 896 C05 9T8 A 110 17.549 22.795 33.402 1.00 0.00 C HETATM 897 C06 9T8 A 110 19.880 23.723 33.726 1.00 0.00 C HETATM 898 C07 9T8 A 110 21.357 23.354 33.633 1.00 0.00 C HETATM 899 C04 9T8 A 110 17.152 22.446 31.953 1.00 0.00 C HETATM 900 N01 9T8 A 110 15.328 22.681 30.154 1.00 0.00 N HETATM 901 C02 9T8 A 110 15.535 21.283 29.573 1.00 0.00 C HETATM 902 N03 9T8 A 110 22.587 23.418 35.817 1.00 0.00 N HETATM 903 C08 9T8 A 110 21.874 22.569 34.857 1.00 0.00 C HETATM 904 O01 9T8 A 110 19.493 24.873 33.860 1.00 0.00 O