USER MOD reduce.3.24.130724 H: found=0, std=0, add=321, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 349 hydrogens (99 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 101 PYB HN2 : A 101 PYB N : A 100 9U2 C81 :(H bumps) USER MOD NoAdj-H: A 102 PYB HN2 : A 102 PYB N : A 101 PYB C :(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 105 IMT H : A 105 IMT N : A 104 ABU CD :(H bumps) USER MOD NoAdj-H: A 106 PYB HN2 : A 106 PYB N : A 105 IMT C :(H bumps) USER MOD NoAdj-H: A 107 PYB HN2 : A 107 PYB N : A 106 PYB C :(H bumps) USER MOD NoAdj-H: A 108 PYB HN2 : A 108 PYB N : A 107 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= -0.18 (180deg=-0.18) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.0888 (180deg=-0.0888) USER MOD Single : A 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 13 DCZ O5' : rot 180:sc= -0.0752 USER MOD Single : B 16 DT C7 :methyl -30:sc= -0.376 (180deg=-0.408) USER MOD Single : B 18 DT C7 :methyl -30:sc= -1.11 (180deg=-1.27) USER MOD Single : B 22 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 DCZ A 1 27.287 8.972 28.985 1.00 0.00 N HETATM 2 C2 DCZ A 1 25.958 8.544 29.103 1.00 0.00 C HETATM 3 N3 DCZ A 1 25.141 9.044 30.060 1.00 0.00 N HETATM 4 C4 DCZ A 1 25.629 9.958 30.874 1.00 0.00 C HETATM 5 C5 DCZ A 1 26.977 10.416 30.831 1.00 0.00 C HETATM 6 C6 DCZ A 1 27.783 9.904 29.865 1.00 0.00 C HETATM 7 O2 DCZ A 1 25.471 7.710 28.335 1.00 0.00 O HETATM 8 N4 DCZ A 1 24.789 10.446 31.739 1.00 0.00 N HETATM 9 C1' DCZ A 1 28.063 8.535 27.788 1.00 0.00 C HETATM 10 C2' DCZ A 1 27.804 9.497 26.622 1.00 0.00 C HETATM 11 C3' DCZ A 1 29.124 10.236 26.436 1.00 0.00 C HETATM 12 C4' DCZ A 1 30.115 9.181 26.933 1.00 0.00 C HETATM 13 O4' DCZ A 1 29.466 8.543 28.029 1.00 0.00 O HETATM 14 O3' DCZ A 1 29.333 10.564 25.070 1.00 0.00 O HETATM 15 C5' DCZ A 1 31.492 9.749 27.340 1.00 0.00 C HETATM 16 O5' DCZ A 1 31.444 10.702 28.404 1.00 0.00 O HETATM 0 HO51 DCZ A 1 32.351 11.014 28.605 1.00 0.00 H new HETATM 0 HN42 DCZ A 1 25.096 11.158 32.402 1.00 0.00 H new HETATM 0 HN41 DCZ A 1 23.824 10.117 31.754 1.00 0.00 H new HETATM 0 H5'2 DCZ A 1 32.139 8.924 27.636 1.00 0.00 H new HETATM 0 H5'1 DCZ A 1 31.951 10.217 26.469 1.00 0.00 H new HETATM 0 H2'2 DCZ A 1 27.520 8.958 25.718 1.00 0.00 H new HETATM 0 H2'1 DCZ A 1 26.992 10.187 26.850 1.00 0.00 H new HETATM 0 H6 DCZ A 1 28.820 10.231 29.788 1.00 0.00 H new HETATM 0 H5 DCZ A 1 27.348 11.150 31.547 1.00 0.00 H new HETATM 0 H4' DCZ A 1 30.356 8.488 26.127 1.00 0.00 H new HETATM 0 H3' DCZ A 1 29.196 11.191 26.957 1.00 0.00 H new HETATM 0 H1' DCZ A 1 27.738 7.521 27.556 1.00 0.00 H new ATOM 29 P DG A 2 28.718 11.900 24.409 1.00 0.00 P ATOM 30 OP1 DG A 2 29.351 12.066 23.077 1.00 0.00 O ATOM 31 OP2 DG A 2 28.842 13.004 25.392 1.00 0.00 O ATOM 32 O5' DG A 2 27.141 11.606 24.198 1.00 0.00 O ATOM 33 C5' DG A 2 26.660 10.726 23.184 1.00 0.00 C ATOM 34 C4' DG A 2 25.195 10.996 22.786 1.00 0.00 C ATOM 35 O4' DG A 2 24.287 10.629 23.824 1.00 0.00 O ATOM 36 C3' DG A 2 24.938 12.469 22.427 1.00 0.00 C ATOM 37 O3' DG A 2 24.082 12.569 21.291 1.00 0.00 O ATOM 38 C2' DG A 2 24.303 12.997 23.710 1.00 0.00 C ATOM 39 C1' DG A 2 23.591 11.775 24.299 1.00 0.00 C ATOM 40 N9 DG A 2 23.604 11.759 25.783 1.00 0.00 N ATOM 41 C8 DG A 2 24.691 11.845 26.620 1.00 0.00 C ATOM 42 N7 DG A 2 24.411 11.718 27.891 1.00 0.00 N ATOM 43 C5 DG A 2 23.016 11.570 27.902 1.00 0.00 C ATOM 44 C6 DG A 2 22.082 11.404 28.989 1.00 0.00 C ATOM 45 O6 DG A 2 22.294 11.299 30.197 1.00 0.00 O ATOM 46 N1 DG A 2 20.766 11.362 28.582 1.00 0.00 N ATOM 47 C2 DG A 2 20.376 11.391 27.286 1.00 0.00 C ATOM 48 N2 DG A 2 19.091 11.360 27.055 1.00 0.00 N ATOM 49 N3 DG A 2 21.198 11.510 26.244 1.00 0.00 N ATOM 50 C4 DG A 2 22.514 11.606 26.616 1.00 0.00 C ATOM 0 H5' DG A 2 26.751 9.697 23.533 1.00 0.00 H new ATOM 0 H5'' DG A 2 27.292 10.820 22.301 1.00 0.00 H new ATOM 0 H4' DG A 2 25.023 10.379 21.904 1.00 0.00 H new ATOM 0 H3' DG A 2 25.824 13.034 22.137 1.00 0.00 H new ATOM 0 H2' DG A 2 25.054 13.390 24.395 1.00 0.00 H new ATOM 0 H2'' DG A 2 23.603 13.807 23.505 1.00 0.00 H new ATOM 0 H1' DG A 2 22.545 11.795 23.993 1.00 0.00 H new ATOM 0 H8 DG A 2 25.696 12.005 26.257 1.00 0.00 H new ATOM 0 H1 DG A 2 20.043 11.306 29.300 1.00 0.00 H new ATOM 0 H21 DG A 2 18.745 11.380 26.096 1.00 0.00 H new ATOM 0 H22 DG A 2 18.434 11.316 27.834 1.00 0.00 H new ATOM 62 P DA A 3 23.895 13.949 20.466 1.00 0.00 P ATOM 63 OP1 DA A 3 23.470 13.597 19.088 1.00 0.00 O ATOM 64 OP2 DA A 3 25.107 14.788 20.642 1.00 0.00 O ATOM 65 O5' DA A 3 22.667 14.679 21.214 1.00 0.00 O ATOM 66 C5' DA A 3 21.322 14.265 20.995 1.00 0.00 C ATOM 67 C4' DA A 3 20.361 14.754 22.090 1.00 0.00 C ATOM 68 O4' DA A 3 20.763 14.209 23.338 1.00 0.00 O ATOM 69 C3' DA A 3 20.310 16.279 22.283 1.00 0.00 C ATOM 70 O3' DA A 3 19.268 16.907 21.536 1.00 0.00 O ATOM 71 C2' DA A 3 20.034 16.392 23.782 1.00 0.00 C ATOM 72 C1' DA A 3 20.159 14.984 24.349 1.00 0.00 C ATOM 73 N9 DA A 3 20.958 14.969 25.590 1.00 0.00 N ATOM 74 C8 DA A 3 22.315 15.112 25.741 1.00 0.00 C ATOM 75 N7 DA A 3 22.732 15.020 26.977 1.00 0.00 N ATOM 76 C5 DA A 3 21.537 14.852 27.694 1.00 0.00 C ATOM 77 C6 DA A 3 21.201 14.711 29.061 1.00 0.00 C ATOM 78 N6 DA A 3 22.068 14.669 30.052 1.00 0.00 N ATOM 79 N1 DA A 3 19.932 14.613 29.451 1.00 0.00 N ATOM 80 C2 DA A 3 18.982 14.635 28.527 1.00 0.00 C ATOM 81 N3 DA A 3 19.137 14.756 27.214 1.00 0.00 N ATOM 82 C4 DA A 3 20.451 14.852 26.860 1.00 0.00 C ATOM 0 H5' DA A 3 21.285 13.177 20.946 1.00 0.00 H new ATOM 0 H5'' DA A 3 20.985 14.639 20.029 1.00 0.00 H new ATOM 0 H4' DA A 3 19.374 14.428 21.761 1.00 0.00 H new ATOM 0 H3' DA A 3 21.218 16.774 21.939 1.00 0.00 H new ATOM 0 H2' DA A 3 20.745 17.067 24.258 1.00 0.00 H new ATOM 0 H2'' DA A 3 19.039 16.797 23.964 1.00 0.00 H new ATOM 0 H1' DA A 3 19.183 14.583 24.622 1.00 0.00 H new ATOM 0 H8 DA A 3 22.982 15.286 24.909 1.00 0.00 H new ATOM 0 H61 DA A 3 21.740 14.565 31.012 1.00 0.00 H new ATOM 0 H62 DA A 3 23.067 14.740 29.859 1.00 0.00 H new ATOM 0 H2 DA A 3 17.966 14.544 28.883 1.00 0.00 H new ATOM 94 P DT A 4 19.082 18.518 21.496 1.00 0.00 P ATOM 95 OP1 DT A 4 18.090 18.825 20.436 1.00 0.00 O ATOM 96 OP2 DT A 4 20.426 19.141 21.409 1.00 0.00 O ATOM 97 O5' DT A 4 18.439 18.920 22.931 1.00 0.00 O ATOM 98 C5' DT A 4 17.056 18.711 23.211 1.00 0.00 C ATOM 99 C4' DT A 4 16.693 18.805 24.705 1.00 0.00 C ATOM 100 O4' DT A 4 17.396 17.840 25.485 1.00 0.00 O ATOM 101 C3' DT A 4 17.022 20.141 25.382 1.00 0.00 C ATOM 102 O3' DT A 4 16.234 21.261 24.960 1.00 0.00 O ATOM 103 C2' DT A 4 16.894 19.709 26.840 1.00 0.00 C ATOM 104 C1' DT A 4 17.462 18.291 26.833 1.00 0.00 C ATOM 105 N1 DT A 4 18.845 18.270 27.384 1.00 0.00 N ATOM 106 C2 DT A 4 18.978 18.084 28.766 1.00 0.00 C ATOM 107 O2 DT A 4 18.024 18.028 29.543 1.00 0.00 O ATOM 108 N3 DT A 4 20.255 17.985 29.255 1.00 0.00 N ATOM 109 C4 DT A 4 21.414 18.153 28.537 1.00 0.00 C ATOM 110 O4 DT A 4 22.487 18.015 29.126 1.00 0.00 O ATOM 111 C5 DT A 4 21.209 18.471 27.121 1.00 0.00 C ATOM 112 C7 DT A 4 22.404 18.747 26.222 1.00 0.00 C ATOM 113 C6 DT A 4 19.953 18.519 26.597 1.00 0.00 C ATOM 0 H5' DT A 4 16.766 17.728 22.839 1.00 0.00 H new ATOM 0 H5'' DT A 4 16.470 19.446 22.659 1.00 0.00 H new ATOM 0 H4' DT A 4 15.614 18.652 24.684 1.00 0.00 H new ATOM 0 H3' DT A 4 17.993 20.568 25.131 1.00 0.00 H new ATOM 0 H2' DT A 4 17.456 20.365 27.505 1.00 0.00 H new ATOM 0 H2'' DT A 4 15.857 19.726 27.176 1.00 0.00 H new ATOM 0 H1' DT A 4 16.890 17.621 27.475 1.00 0.00 H new ATOM 0 H3 DT A 4 20.354 17.766 30.246 1.00 0.00 H new ATOM 0 H71 DT A 4 22.170 18.443 25.202 1.00 0.00 H new ATOM 0 H72 DT A 4 22.634 19.812 26.239 1.00 0.00 H new ATOM 0 H73 DT A 4 23.266 18.184 26.579 1.00 0.00 H new ATOM 0 H6 DT A 4 19.821 18.755 25.551 1.00 0.00 H new ATOM 126 P DG A 5 14.698 21.549 25.377 1.00 0.00 P ATOM 127 OP1 DG A 5 13.944 20.276 25.282 1.00 0.00 O ATOM 128 OP2 DG A 5 14.235 22.709 24.578 1.00 0.00 O ATOM 129 O5' DG A 5 14.697 22.009 26.925 1.00 0.00 O ATOM 130 C5' DG A 5 13.675 21.547 27.801 1.00 0.00 C ATOM 131 C4' DG A 5 13.551 22.281 29.143 1.00 0.00 C ATOM 132 O4' DG A 5 14.688 22.074 29.969 1.00 0.00 O ATOM 133 C3' DG A 5 13.335 23.794 29.017 1.00 0.00 C ATOM 134 O3' DG A 5 12.396 24.180 30.017 1.00 0.00 O ATOM 135 C2' DG A 5 14.758 24.329 29.195 1.00 0.00 C ATOM 136 C1' DG A 5 15.430 23.279 30.083 1.00 0.00 C ATOM 137 N9 DG A 5 16.835 22.963 29.729 1.00 0.00 N ATOM 138 C8 DG A 5 17.437 22.845 28.497 1.00 0.00 C ATOM 139 N7 DG A 5 18.637 22.322 28.534 1.00 0.00 N ATOM 140 C5 DG A 5 18.850 22.088 29.898 1.00 0.00 C ATOM 141 C6 DG A 5 19.941 21.479 30.613 1.00 0.00 C ATOM 142 O6 DG A 5 20.956 20.942 30.173 1.00 0.00 O ATOM 143 N1 DG A 5 19.795 21.526 31.985 1.00 0.00 N ATOM 144 C2 DG A 5 18.731 22.081 32.606 1.00 0.00 C ATOM 145 N2 DG A 5 18.799 22.222 33.896 1.00 0.00 N ATOM 146 N3 DG A 5 17.660 22.565 31.992 1.00 0.00 N ATOM 147 C4 DG A 5 17.780 22.544 30.633 1.00 0.00 C ATOM 0 H5' DG A 5 13.849 20.490 28.003 1.00 0.00 H new ATOM 0 H5'' DG A 5 12.720 21.619 27.281 1.00 0.00 H new ATOM 0 H4' DG A 5 12.660 21.845 29.594 1.00 0.00 H new ATOM 0 H3' DG A 5 12.910 24.172 28.087 1.00 0.00 H new ATOM 0 H2' DG A 5 15.270 24.432 28.238 1.00 0.00 H new ATOM 0 H2'' DG A 5 14.761 25.312 29.665 1.00 0.00 H new ATOM 0 H1' DG A 5 15.446 23.699 31.089 1.00 0.00 H new ATOM 0 H8 DG A 5 16.961 23.157 27.579 1.00 0.00 H new ATOM 0 H1 DG A 5 20.531 21.119 32.562 1.00 0.00 H new ATOM 0 H21 DG A 5 18.019 22.636 34.406 1.00 0.00 H new ATOM 0 H22 DG A 5 19.633 21.918 34.399 1.00 0.00 H new ATOM 159 P DT A 6 11.916 25.700 30.255 1.00 0.00 P ATOM 160 OP1 DT A 6 10.500 25.671 30.698 1.00 0.00 O ATOM 161 OP2 DT A 6 12.283 26.525 29.076 1.00 0.00 O ATOM 162 O5' DT A 6 12.833 26.138 31.499 1.00 0.00 O ATOM 163 C5' DT A 6 12.611 25.582 32.791 1.00 0.00 C ATOM 164 C4' DT A 6 13.762 25.882 33.755 1.00 0.00 C ATOM 165 O4' DT A 6 14.970 25.374 33.228 1.00 0.00 O ATOM 166 C3' DT A 6 13.986 27.375 34.021 1.00 0.00 C ATOM 167 O3' DT A 6 13.303 27.766 35.208 1.00 0.00 O ATOM 168 C2' DT A 6 15.505 27.473 34.156 1.00 0.00 C ATOM 169 C1' DT A 6 16.030 26.085 33.828 1.00 0.00 C ATOM 170 N1 DT A 6 17.188 26.059 32.908 1.00 0.00 N ATOM 171 C2 DT A 6 18.395 25.520 33.372 1.00 0.00 C ATOM 172 O2 DT A 6 18.623 25.269 34.555 1.00 0.00 O ATOM 173 N3 DT A 6 19.356 25.265 32.424 1.00 0.00 N ATOM 174 C4 DT A 6 19.205 25.468 31.069 1.00 0.00 C ATOM 175 O4 DT A 6 20.066 25.036 30.312 1.00 0.00 O ATOM 176 C5 DT A 6 17.991 26.186 30.678 1.00 0.00 C ATOM 177 C7 DT A 6 17.781 26.627 29.239 1.00 0.00 C ATOM 178 C6 DT A 6 17.030 26.450 31.596 1.00 0.00 C ATOM 0 H5' DT A 6 12.484 24.503 32.703 1.00 0.00 H new ATOM 0 H5'' DT A 6 11.683 25.980 33.201 1.00 0.00 H new ATOM 0 H4' DT A 6 13.479 25.408 34.695 1.00 0.00 H new ATOM 0 H3' DT A 6 13.603 28.035 33.243 1.00 0.00 H new ATOM 0 H2' DT A 6 15.913 28.219 33.473 1.00 0.00 H new ATOM 0 H2'' DT A 6 15.791 27.773 35.164 1.00 0.00 H new ATOM 0 H1' DT A 6 16.383 25.646 34.761 1.00 0.00 H new ATOM 0 H3 DT A 6 20.250 24.897 32.748 1.00 0.00 H new ATOM 0 H71 DT A 6 16.714 26.640 29.014 1.00 0.00 H new ATOM 0 H72 DT A 6 18.193 27.627 29.101 1.00 0.00 H new ATOM 0 H73 DT A 6 18.285 25.931 28.568 1.00 0.00 H new ATOM 0 H6 DT A 6 16.133 26.971 31.297 1.00 0.00 H new ATOM 191 P DA A 7 13.191 29.307 35.682 1.00 0.00 P ATOM 192 OP1 DA A 7 12.190 29.374 36.776 1.00 0.00 O ATOM 193 OP2 DA A 7 12.994 30.159 34.483 1.00 0.00 O ATOM 194 O5' DA A 7 14.642 29.638 36.305 1.00 0.00 O ATOM 195 C5' DA A 7 15.082 29.011 37.506 1.00 0.00 C ATOM 196 C4' DA A 7 16.569 29.241 37.809 1.00 0.00 C ATOM 197 O4' DA A 7 17.409 28.683 36.798 1.00 0.00 O ATOM 198 C3' DA A 7 16.938 30.721 37.966 1.00 0.00 C ATOM 199 O3' DA A 7 17.597 30.873 39.216 1.00 0.00 O ATOM 200 C2' DA A 7 17.796 30.957 36.723 1.00 0.00 C ATOM 201 C1' DA A 7 18.443 29.593 36.467 1.00 0.00 C ATOM 202 N9 DA A 7 18.819 29.383 35.045 1.00 0.00 N ATOM 203 C8 DA A 7 18.077 29.719 33.935 1.00 0.00 C ATOM 204 N7 DA A 7 18.607 29.374 32.794 1.00 0.00 N ATOM 205 C5 DA A 7 19.807 28.768 33.187 1.00 0.00 C ATOM 206 C6 DA A 7 20.866 28.155 32.482 1.00 0.00 C ATOM 207 N6 DA A 7 20.886 28.030 31.173 1.00 0.00 N ATOM 208 N1 DA A 7 21.906 27.608 33.111 1.00 0.00 N ATOM 209 C2 DA A 7 21.910 27.670 34.436 1.00 0.00 C ATOM 210 N3 DA A 7 20.996 28.208 35.244 1.00 0.00 N ATOM 211 C4 DA A 7 19.950 28.751 34.551 1.00 0.00 C ATOM 0 H5' DA A 7 14.895 27.939 37.436 1.00 0.00 H new ATOM 0 H5'' DA A 7 14.488 29.384 38.340 1.00 0.00 H new ATOM 0 H4' DA A 7 16.735 28.737 38.761 1.00 0.00 H new ATOM 0 H3' DA A 7 16.127 31.449 38.003 1.00 0.00 H new ATOM 0 H2' DA A 7 17.192 31.280 35.875 1.00 0.00 H new ATOM 0 H2'' DA A 7 18.545 31.730 36.894 1.00 0.00 H new ATOM 0 H1' DA A 7 19.365 29.483 37.037 1.00 0.00 H new ATOM 0 H8 DA A 7 17.128 30.230 34.004 1.00 0.00 H new ATOM 0 H61 DA A 7 21.678 27.578 30.716 1.00 0.00 H new ATOM 0 H62 DA A 7 20.110 28.385 30.615 1.00 0.00 H new ATOM 0 H2 DA A 7 22.765 27.227 34.924 1.00 0.00 H new ATOM 223 P DC A 8 18.210 32.268 39.734 1.00 0.00 P ATOM 224 OP1 DC A 8 18.208 32.245 41.218 1.00 0.00 O ATOM 225 OP2 DC A 8 17.548 33.395 39.029 1.00 0.00 O ATOM 226 O5' DC A 8 19.726 32.148 39.217 1.00 0.00 O ATOM 227 C5' DC A 8 20.534 31.052 39.628 1.00 0.00 C ATOM 228 C4' DC A 8 21.897 31.020 38.935 1.00 0.00 C ATOM 229 O4' DC A 8 21.738 30.775 37.543 1.00 0.00 O ATOM 230 C3' DC A 8 22.697 32.315 39.115 1.00 0.00 C ATOM 231 O3' DC A 8 23.950 32.026 39.724 1.00 0.00 O ATOM 232 C2' DC A 8 22.810 32.814 37.678 1.00 0.00 C ATOM 233 C1' DC A 8 22.693 31.541 36.838 1.00 0.00 C ATOM 234 N1 DC A 8 22.179 31.741 35.450 1.00 0.00 N ATOM 235 C2 DC A 8 22.862 31.194 34.350 1.00 0.00 C ATOM 236 O2 DC A 8 23.945 30.629 34.471 1.00 0.00 O ATOM 237 N3 DC A 8 22.344 31.249 33.097 1.00 0.00 N ATOM 238 C4 DC A 8 21.163 31.805 32.945 1.00 0.00 C ATOM 239 N4 DC A 8 20.687 31.826 31.736 1.00 0.00 N ATOM 240 C5 DC A 8 20.403 32.350 34.014 1.00 0.00 C ATOM 241 C6 DC A 8 20.945 32.310 35.253 1.00 0.00 C ATOM 0 H5' DC A 8 20.006 30.121 39.421 1.00 0.00 H new ATOM 0 H5'' DC A 8 20.682 31.102 40.707 1.00 0.00 H new ATOM 0 H4' DC A 8 22.456 30.214 39.410 1.00 0.00 H new ATOM 0 H3' DC A 8 22.248 33.062 39.770 1.00 0.00 H new ATOM 0 H2' DC A 8 22.019 33.525 37.438 1.00 0.00 H new ATOM 0 H2'' DC A 8 23.759 33.322 37.505 1.00 0.00 H new ATOM 0 H1' DC A 8 23.681 31.097 36.714 1.00 0.00 H new ATOM 0 H41 DC A 8 19.775 32.244 31.554 1.00 0.00 H new ATOM 0 H42 DC A 8 21.226 31.424 30.969 1.00 0.00 H new ATOM 0 H5 DC A 8 19.427 32.781 33.844 1.00 0.00 H new ATOM 0 H6 DC A 8 20.405 32.727 36.090 1.00 0.00 H new ATOM 253 P DA A 9 24.876 33.171 40.388 1.00 0.00 P ATOM 254 OP1 DA A 9 25.783 32.518 41.367 1.00 0.00 O ATOM 255 OP2 DA A 9 24.016 34.289 40.851 1.00 0.00 O ATOM 256 O5' DA A 9 25.757 33.694 39.148 1.00 0.00 O ATOM 257 C5' DA A 9 26.745 32.849 38.576 1.00 0.00 C ATOM 258 C4' DA A 9 27.120 33.231 37.141 1.00 0.00 C ATOM 259 O4' DA A 9 25.973 33.199 36.290 1.00 0.00 O ATOM 260 C3' DA A 9 27.764 34.618 37.009 1.00 0.00 C ATOM 261 O3' DA A 9 28.964 34.500 36.253 1.00 0.00 O ATOM 262 C2' DA A 9 26.654 35.402 36.310 1.00 0.00 C ATOM 263 C1' DA A 9 26.007 34.328 35.439 1.00 0.00 C ATOM 264 N9 DA A 9 24.635 34.685 35.001 1.00 0.00 N ATOM 265 C8 DA A 9 23.628 35.271 35.733 1.00 0.00 C ATOM 266 N7 DA A 9 22.515 35.462 35.076 1.00 0.00 N ATOM 267 C5 DA A 9 22.829 34.996 33.793 1.00 0.00 C ATOM 268 C6 DA A 9 22.135 34.929 32.560 1.00 0.00 C ATOM 269 N6 DA A 9 20.900 35.344 32.350 1.00 0.00 N ATOM 270 N1 DA A 9 22.708 34.413 31.476 1.00 0.00 N ATOM 271 C2 DA A 9 23.940 33.943 31.589 1.00 0.00 C ATOM 272 N3 DA A 9 24.721 33.934 32.663 1.00 0.00 N ATOM 273 C4 DA A 9 24.105 34.494 33.743 1.00 0.00 C ATOM 0 H5' DA A 9 26.383 31.821 38.587 1.00 0.00 H new ATOM 0 H5'' DA A 9 27.640 32.878 39.197 1.00 0.00 H new ATOM 0 H4' DA A 9 27.859 32.488 36.841 1.00 0.00 H new ATOM 0 H3' DA A 9 28.074 35.103 37.934 1.00 0.00 H new ATOM 0 H2' DA A 9 25.948 35.831 37.021 1.00 0.00 H new ATOM 0 H2'' DA A 9 27.049 36.226 35.716 1.00 0.00 H new ATOM 0 H1' DA A 9 26.561 34.174 34.513 1.00 0.00 H new ATOM 0 H8 DA A 9 23.748 35.551 36.769 1.00 0.00 H new ATOM 0 H61 DA A 9 20.482 35.254 31.424 1.00 0.00 H new ATOM 0 H62 DA A 9 20.363 35.755 33.114 1.00 0.00 H new ATOM 0 H2 DA A 9 24.364 33.512 30.694 1.00 0.00 H new ATOM 285 P DT A 10 29.931 35.753 35.956 1.00 0.00 P ATOM 286 OP1 DT A 10 31.302 35.231 35.723 1.00 0.00 O ATOM 287 OP2 DT A 10 29.728 36.785 37.005 1.00 0.00 O ATOM 288 O5' DT A 10 29.337 36.304 34.565 1.00 0.00 O ATOM 289 C5' DT A 10 29.525 35.554 33.373 1.00 0.00 C ATOM 290 C4' DT A 10 28.882 36.163 32.122 1.00 0.00 C ATOM 291 O4' DT A 10 27.480 35.973 32.082 1.00 0.00 O ATOM 292 C3' DT A 10 29.061 37.674 31.980 1.00 0.00 C ATOM 293 O3' DT A 10 30.391 38.018 31.610 1.00 0.00 O ATOM 294 C2' DT A 10 28.040 37.935 30.875 1.00 0.00 C ATOM 295 C1' DT A 10 26.980 36.842 31.079 1.00 0.00 C ATOM 296 N1 DT A 10 25.644 37.375 31.460 1.00 0.00 N ATOM 297 C2 DT A 10 24.713 37.573 30.435 1.00 0.00 C ATOM 298 O2 DT A 10 24.982 37.452 29.241 1.00 0.00 O ATOM 299 N3 DT A 10 23.444 37.935 30.814 1.00 0.00 N ATOM 300 C4 DT A 10 23.028 38.196 32.098 1.00 0.00 C ATOM 301 O4 DT A 10 21.839 38.454 32.285 1.00 0.00 O ATOM 302 C5 DT A 10 24.089 38.122 33.107 1.00 0.00 C ATOM 303 C7 DT A 10 23.804 38.504 34.550 1.00 0.00 C ATOM 304 C6 DT A 10 25.337 37.697 32.767 1.00 0.00 C ATOM 0 H5' DT A 10 29.119 34.553 33.522 1.00 0.00 H new ATOM 0 H5'' DT A 10 30.595 35.441 33.196 1.00 0.00 H new ATOM 0 H4' DT A 10 29.404 35.637 31.323 1.00 0.00 H new ATOM 0 H3' DT A 10 28.909 38.260 32.886 1.00 0.00 H new ATOM 0 H2' DT A 10 27.607 38.932 30.960 1.00 0.00 H new ATOM 0 H2'' DT A 10 28.496 37.869 29.887 1.00 0.00 H new ATOM 0 H1' DT A 10 26.815 36.323 30.135 1.00 0.00 H new ATOM 0 H3 DT A 10 22.746 38.018 30.075 1.00 0.00 H new ATOM 0 H71 DT A 10 24.448 37.927 35.213 1.00 0.00 H new ATOM 0 H72 DT A 10 23.999 39.567 34.690 1.00 0.00 H new ATOM 0 H73 DT A 10 22.760 38.292 34.783 1.00 0.00 H new ATOM 0 H6 DT A 10 26.097 37.611 33.530 1.00 0.00 H new ATOM 317 P DC A 11 31.036 39.452 31.970 1.00 0.00 P ATOM 318 OP1 DC A 11 32.483 39.401 31.641 1.00 0.00 O ATOM 319 OP2 DC A 11 30.632 39.844 33.344 1.00 0.00 O ATOM 320 O5' DC A 11 30.316 40.448 30.936 1.00 0.00 O ATOM 321 C5' DC A 11 30.564 40.366 29.537 1.00 0.00 C ATOM 322 C4' DC A 11 29.567 41.196 28.716 1.00 0.00 C ATOM 323 O4' DC A 11 28.247 40.697 28.940 1.00 0.00 O ATOM 324 C3' DC A 11 29.559 42.693 29.082 1.00 0.00 C ATOM 325 O3' DC A 11 29.329 43.510 27.946 1.00 0.00 O ATOM 326 C2' DC A 11 28.334 42.786 29.971 1.00 0.00 C ATOM 327 C1' DC A 11 27.415 41.802 29.237 1.00 0.00 C ATOM 328 N1 DC A 11 26.202 41.418 30.012 1.00 0.00 N ATOM 329 C2 DC A 11 24.969 41.384 29.346 1.00 0.00 C ATOM 330 O2 DC A 11 24.873 41.357 28.117 1.00 0.00 O ATOM 331 N3 DC A 11 23.810 41.389 30.042 1.00 0.00 N ATOM 332 C4 DC A 11 23.871 41.379 31.356 1.00 0.00 C ATOM 333 N4 DC A 11 22.733 41.453 31.974 1.00 0.00 N ATOM 334 C5 DC A 11 25.083 41.249 32.086 1.00 0.00 C ATOM 335 C6 DC A 11 26.238 41.261 31.378 1.00 0.00 C ATOM 0 H5' DC A 11 30.511 39.324 29.222 1.00 0.00 H new ATOM 0 H5'' DC A 11 31.577 40.711 29.330 1.00 0.00 H new ATOM 0 H4' DC A 11 29.880 41.105 27.676 1.00 0.00 H new ATOM 0 H3' DC A 11 30.501 43.019 29.524 1.00 0.00 H new ATOM 0 H2' DC A 11 28.538 42.483 30.998 1.00 0.00 H new ATOM 0 H2'' DC A 11 27.921 43.794 30.012 1.00 0.00 H new ATOM 0 H1' DC A 11 26.991 42.253 28.340 1.00 0.00 H new ATOM 0 H41 DC A 11 22.705 41.450 32.994 1.00 0.00 H new ATOM 0 H42 DC A 11 21.866 41.514 31.440 1.00 0.00 H new ATOM 0 H5 DC A 11 25.084 41.145 33.161 1.00 0.00 H new ATOM 0 H6 DC A 11 27.185 41.148 31.885 1.00 0.00 H new ATOM 347 P DG A 12 30.473 44.465 27.357 1.00 0.00 P ATOM 348 OP1 DG A 12 31.719 43.676 27.195 1.00 0.00 O ATOM 349 OP2 DG A 12 30.497 45.709 28.164 1.00 0.00 O ATOM 350 O5' DG A 12 29.884 44.814 25.902 1.00 0.00 O ATOM 351 C5' DG A 12 29.706 43.805 24.909 1.00 0.00 C ATOM 352 C4' DG A 12 28.270 43.759 24.357 1.00 0.00 C ATOM 353 O4' DG A 12 27.343 43.380 25.377 1.00 0.00 O ATOM 354 C3' DG A 12 27.800 45.115 23.791 1.00 0.00 C ATOM 355 O3' DG A 12 27.052 44.949 22.588 1.00 0.00 O ATOM 356 C2' DG A 12 26.895 45.617 24.910 1.00 0.00 C ATOM 357 C1' DG A 12 26.263 44.301 25.357 1.00 0.00 C ATOM 358 N9 DG A 12 25.592 44.416 26.673 1.00 0.00 N ATOM 359 C8 DG A 12 26.124 44.808 27.878 1.00 0.00 C ATOM 360 N7 DG A 12 25.252 44.882 28.852 1.00 0.00 N ATOM 361 C5 DG A 12 24.038 44.531 28.236 1.00 0.00 C ATOM 362 C6 DG A 12 22.686 44.452 28.741 1.00 0.00 C ATOM 363 O6 DG A 12 22.253 44.671 29.874 1.00 0.00 O ATOM 364 N1 DG A 12 21.757 44.096 27.783 1.00 0.00 N ATOM 365 C2 DG A 12 22.069 43.847 26.488 1.00 0.00 C ATOM 366 N2 DG A 12 21.081 43.579 25.677 1.00 0.00 N ATOM 367 N3 DG A 12 23.294 43.906 25.974 1.00 0.00 N ATOM 368 C4 DG A 12 24.243 44.250 26.901 1.00 0.00 C ATOM 0 H5' DG A 12 29.958 42.834 25.335 1.00 0.00 H new ATOM 0 H5'' DG A 12 30.401 43.983 24.088 1.00 0.00 H new ATOM 0 H4' DG A 12 28.293 43.024 23.552 1.00 0.00 H new ATOM 0 H3' DG A 12 28.619 45.786 23.532 1.00 0.00 H new ATOM 0 H2' DG A 12 27.453 46.103 25.710 1.00 0.00 H new ATOM 0 H2'' DG A 12 26.155 46.335 24.556 1.00 0.00 H new ATOM 0 HO3' DG A 12 26.768 45.826 22.256 1.00 0.00 H new ATOM 0 H1' DG A 12 25.467 43.980 24.685 1.00 0.00 H new ATOM 0 H8 DG A 12 27.171 45.036 28.010 1.00 0.00 H new ATOM 0 H1 DG A 12 20.780 44.016 28.066 1.00 0.00 H new ATOM 0 H21 DG A 12 21.267 43.385 24.693 1.00 0.00 H new ATOM 0 H22 DG A 12 20.123 43.564 26.028 1.00 0.00 H new TER 381 DG A 12 HETATM 382 N1 DCZ B 13 16.606 43.875 28.077 1.00 0.00 N HETATM 383 C2 DCZ B 13 17.966 43.917 27.732 1.00 0.00 C HETATM 384 N3 DCZ B 13 18.922 44.054 28.680 1.00 0.00 N HETATM 385 C4 DCZ B 13 18.543 44.119 29.940 1.00 0.00 C HETATM 386 C5 DCZ B 13 17.186 44.039 30.359 1.00 0.00 C HETATM 387 C6 DCZ B 13 16.238 43.905 29.398 1.00 0.00 C HETATM 388 O2 DCZ B 13 18.356 43.835 26.566 1.00 0.00 O HETATM 389 N4 DCZ B 13 19.495 44.294 30.812 1.00 0.00 N HETATM 390 C1' DCZ B 13 15.582 43.835 26.992 1.00 0.00 C HETATM 391 C2' DCZ B 13 15.327 42.412 26.504 1.00 0.00 C HETATM 392 C3' DCZ B 13 13.942 42.569 25.879 1.00 0.00 C HETATM 393 C4' DCZ B 13 13.268 43.522 26.872 1.00 0.00 C HETATM 394 O4' DCZ B 13 14.306 44.341 27.404 1.00 0.00 O HETATM 395 O3' DCZ B 13 14.038 43.174 24.588 1.00 0.00 O HETATM 396 C5' DCZ B 13 12.517 42.756 27.999 1.00 0.00 C HETATM 397 O5' DCZ B 13 13.321 41.857 28.766 1.00 0.00 O HETATM 0 HO51 DCZ B 13 12.767 41.424 29.449 1.00 0.00 H new HETATM 0 HN42 DCZ B 13 19.272 44.353 31.806 1.00 0.00 H new HETATM 0 HN41 DCZ B 13 20.463 44.372 30.501 1.00 0.00 H new HETATM 0 H5'2 DCZ B 13 12.070 43.485 28.675 1.00 0.00 H new HETATM 0 H5'1 DCZ B 13 11.699 42.193 27.550 1.00 0.00 H new HETATM 0 H2'2 DCZ B 13 16.073 42.083 25.780 1.00 0.00 H new HETATM 0 H2'1 DCZ B 13 15.333 41.688 27.319 1.00 0.00 H new HETATM 0 H6 DCZ B 13 15.187 43.821 29.675 1.00 0.00 H new HETATM 0 H5 DCZ B 13 16.918 44.084 31.414 1.00 0.00 H new HETATM 0 H4' DCZ B 13 12.507 44.121 26.373 1.00 0.00 H new HETATM 0 H3' DCZ B 13 13.410 41.630 25.726 1.00 0.00 H new HETATM 0 H1' DCZ B 13 16.003 44.461 26.205 1.00 0.00 H new ATOM 410 P DG B 14 13.983 42.280 23.263 1.00 0.00 P ATOM 411 OP1 DG B 14 14.350 43.143 22.114 1.00 0.00 O ATOM 412 OP2 DG B 14 12.701 41.540 23.238 1.00 0.00 O ATOM 413 O5' DG B 14 15.170 41.236 23.553 1.00 0.00 O ATOM 414 C5' DG B 14 16.094 40.803 22.569 1.00 0.00 C ATOM 415 C4' DG B 14 16.946 39.652 23.130 1.00 0.00 C ATOM 416 O4' DG B 14 17.777 40.099 24.210 1.00 0.00 O ATOM 417 C3' DG B 14 16.049 38.520 23.676 1.00 0.00 C ATOM 418 O3' DG B 14 16.440 37.238 23.221 1.00 0.00 O ATOM 419 C2' DG B 14 16.277 38.647 25.173 1.00 0.00 C ATOM 420 C1' DG B 14 17.735 39.111 25.228 1.00 0.00 C ATOM 421 N9 DG B 14 18.116 39.633 26.571 1.00 0.00 N ATOM 422 C8 DG B 14 17.312 39.824 27.673 1.00 0.00 C ATOM 423 N7 DG B 14 17.920 40.313 28.717 1.00 0.00 N ATOM 424 C5 DG B 14 19.250 40.425 28.294 1.00 0.00 C ATOM 425 C6 DG B 14 20.426 40.861 28.998 1.00 0.00 C ATOM 426 O6 DG B 14 20.535 41.274 30.152 1.00 0.00 O ATOM 427 N1 DG B 14 21.577 40.783 28.247 1.00 0.00 N ATOM 428 C2 DG B 14 21.614 40.340 26.969 1.00 0.00 C ATOM 429 N2 DG B 14 22.791 40.316 26.400 1.00 0.00 N ATOM 430 N3 DG B 14 20.553 39.928 26.272 1.00 0.00 N ATOM 431 C4 DG B 14 19.386 39.995 26.988 1.00 0.00 C ATOM 0 H5' DG B 14 16.736 41.631 22.270 1.00 0.00 H new ATOM 0 H5'' DG B 14 15.562 40.473 21.677 1.00 0.00 H new ATOM 0 H4' DG B 14 17.562 39.289 22.307 1.00 0.00 H new ATOM 0 H3' DG B 14 15.011 38.612 23.356 1.00 0.00 H new ATOM 0 H2' DG B 14 15.600 39.369 25.630 1.00 0.00 H new ATOM 0 H2'' DG B 14 16.129 37.699 25.691 1.00 0.00 H new ATOM 0 H1' DG B 14 18.455 38.309 25.068 1.00 0.00 H new ATOM 0 H8 DG B 14 16.258 39.587 27.672 1.00 0.00 H new ATOM 0 H1 DG B 14 22.453 41.076 28.679 1.00 0.00 H new ATOM 0 H21 DG B 14 22.886 39.992 25.437 1.00 0.00 H new ATOM 0 H22 DG B 14 23.615 40.621 26.919 1.00 0.00 H new ATOM 443 P DA B 15 15.826 36.637 21.862 1.00 0.00 P ATOM 444 OP1 DA B 15 15.763 37.714 20.841 1.00 0.00 O ATOM 445 OP2 DA B 15 14.581 35.909 22.212 1.00 0.00 O ATOM 446 O5' DA B 15 16.911 35.552 21.376 1.00 0.00 O ATOM 447 C5' DA B 15 18.243 35.920 21.021 1.00 0.00 C ATOM 448 C4' DA B 15 19.278 35.547 22.094 1.00 0.00 C ATOM 449 O4' DA B 15 19.155 36.314 23.282 1.00 0.00 O ATOM 450 C3' DA B 15 19.188 34.081 22.540 1.00 0.00 C ATOM 451 O3' DA B 15 19.900 33.234 21.643 1.00 0.00 O ATOM 452 C2' DA B 15 19.783 34.148 23.947 1.00 0.00 C ATOM 453 C1' DA B 15 19.896 35.633 24.274 1.00 0.00 C ATOM 454 N9 DA B 15 19.424 35.943 25.639 1.00 0.00 N ATOM 455 C8 DA B 15 18.161 35.856 26.175 1.00 0.00 C ATOM 456 N7 DA B 15 18.085 36.234 27.429 1.00 0.00 N ATOM 457 C5 DA B 15 19.416 36.567 27.742 1.00 0.00 C ATOM 458 C6 DA B 15 20.103 37.054 28.885 1.00 0.00 C ATOM 459 N6 DA B 15 19.569 37.338 30.058 1.00 0.00 N ATOM 460 N1 DA B 15 21.413 37.293 28.850 1.00 0.00 N ATOM 461 C2 DA B 15 22.068 37.040 27.724 1.00 0.00 C ATOM 462 N3 DA B 15 21.576 36.575 26.586 1.00 0.00 N ATOM 463 C4 DA B 15 20.233 36.373 26.659 1.00 0.00 C ATOM 0 H5' DA B 15 18.282 36.995 20.845 1.00 0.00 H new ATOM 0 H5'' DA B 15 18.510 35.434 20.083 1.00 0.00 H new ATOM 0 H4' DA B 15 20.227 35.746 21.596 1.00 0.00 H new ATOM 0 H3' DA B 15 18.185 33.653 22.540 1.00 0.00 H new ATOM 0 H2' DA B 15 19.145 33.635 24.667 1.00 0.00 H new ATOM 0 H2'' DA B 15 20.759 33.663 23.984 1.00 0.00 H new ATOM 0 H1' DA B 15 20.938 35.953 24.265 1.00 0.00 H new ATOM 0 H8 DA B 15 17.307 35.507 25.613 1.00 0.00 H new ATOM 0 H61 DA B 15 20.157 37.684 30.816 1.00 0.00 H new ATOM 0 H62 DA B 15 18.568 37.211 30.207 1.00 0.00 H new ATOM 0 H2 DA B 15 23.130 37.237 27.737 1.00 0.00 H new ATOM 475 P DT B 16 20.124 31.657 21.910 1.00 0.00 P ATOM 476 OP1 DT B 16 20.468 31.023 20.613 1.00 0.00 O ATOM 477 OP2 DT B 16 18.970 31.130 22.681 1.00 0.00 O ATOM 478 O5' DT B 16 21.430 31.636 22.858 1.00 0.00 O ATOM 479 C5' DT B 16 22.676 32.147 22.390 1.00 0.00 C ATOM 480 C4' DT B 16 23.696 32.389 23.515 1.00 0.00 C ATOM 481 O4' DT B 16 23.223 33.343 24.453 1.00 0.00 O ATOM 482 C3' DT B 16 24.066 31.123 24.288 1.00 0.00 C ATOM 483 O3' DT B 16 25.155 30.513 23.603 1.00 0.00 O ATOM 484 C2' DT B 16 24.496 31.712 25.631 1.00 0.00 C ATOM 485 C1' DT B 16 23.745 33.045 25.739 1.00 0.00 C ATOM 486 N1 DT B 16 22.631 33.027 26.732 1.00 0.00 N ATOM 487 C2 DT B 16 22.834 33.680 27.953 1.00 0.00 C ATOM 488 O2 DT B 16 23.897 34.202 28.283 1.00 0.00 O ATOM 489 N3 DT B 16 21.769 33.732 28.818 1.00 0.00 N ATOM 490 C4 DT B 16 20.515 33.225 28.587 1.00 0.00 C ATOM 491 O4 DT B 16 19.643 33.407 29.437 1.00 0.00 O ATOM 492 C5 DT B 16 20.369 32.521 27.312 1.00 0.00 C ATOM 493 C7 DT B 16 19.034 31.899 26.941 1.00 0.00 C ATOM 494 C6 DT B 16 21.417 32.430 26.446 1.00 0.00 C ATOM 0 H5' DT B 16 22.501 33.083 21.860 1.00 0.00 H new ATOM 0 H5'' DT B 16 23.100 31.448 21.669 1.00 0.00 H new ATOM 0 H4' DT B 16 24.585 32.758 23.003 1.00 0.00 H new ATOM 0 H3' DT B 16 23.290 30.365 24.392 1.00 0.00 H new ATOM 0 H2' DT B 16 24.238 31.046 26.455 1.00 0.00 H new ATOM 0 H2'' DT B 16 25.575 31.863 25.669 1.00 0.00 H new ATOM 0 H1' DT B 16 24.448 33.801 26.089 1.00 0.00 H new ATOM 0 H3 DT B 16 21.924 34.190 29.716 1.00 0.00 H new ATOM 0 H71 DT B 16 18.510 31.595 27.847 1.00 0.00 H new ATOM 0 H72 DT B 16 18.431 32.628 26.400 1.00 0.00 H new ATOM 0 H73 DT B 16 19.202 31.027 26.310 1.00 0.00 H new ATOM 0 H6 DT B 16 21.298 31.883 25.522 1.00 0.00 H new ATOM 507 P DG B 17 25.193 28.957 23.182 1.00 0.00 P ATOM 508 OP1 DG B 17 25.994 28.849 21.937 1.00 0.00 O ATOM 509 OP2 DG B 17 23.822 28.392 23.201 1.00 0.00 O ATOM 510 O5' DG B 17 26.020 28.276 24.379 1.00 0.00 O ATOM 511 C5' DG B 17 27.384 28.597 24.602 1.00 0.00 C ATOM 512 C4' DG B 17 28.018 27.837 25.775 1.00 0.00 C ATOM 513 O4' DG B 17 27.513 28.263 27.036 1.00 0.00 O ATOM 514 C3' DG B 17 27.852 26.314 25.716 1.00 0.00 C ATOM 515 O3' DG B 17 29.104 25.747 26.097 1.00 0.00 O ATOM 516 C2' DG B 17 26.634 26.111 26.628 1.00 0.00 C ATOM 517 C1' DG B 17 26.577 27.330 27.557 1.00 0.00 C ATOM 518 N9 DG B 17 25.225 27.963 27.694 1.00 0.00 N ATOM 519 C8 DG B 17 24.195 28.065 26.783 1.00 0.00 C ATOM 520 N7 DG B 17 23.160 28.751 27.195 1.00 0.00 N ATOM 521 C5 DG B 17 23.510 29.117 28.499 1.00 0.00 C ATOM 522 C6 DG B 17 22.818 29.891 29.502 1.00 0.00 C ATOM 523 O6 DG B 17 21.748 30.493 29.429 1.00 0.00 O ATOM 524 N1 DG B 17 23.475 29.947 30.715 1.00 0.00 N ATOM 525 C2 DG B 17 24.666 29.356 30.942 1.00 0.00 C ATOM 526 N2 DG B 17 25.154 29.433 32.145 1.00 0.00 N ATOM 527 N3 DG B 17 25.381 28.713 30.025 1.00 0.00 N ATOM 528 C4 DG B 17 24.750 28.607 28.819 1.00 0.00 C ATOM 0 H5' DG B 17 27.470 29.668 24.787 1.00 0.00 H new ATOM 0 H5'' DG B 17 27.950 28.384 23.695 1.00 0.00 H new ATOM 0 H4' DG B 17 29.076 28.077 25.675 1.00 0.00 H new ATOM 0 H3' DG B 17 27.648 25.824 24.764 1.00 0.00 H new ATOM 0 H2' DG B 17 25.719 26.028 26.041 1.00 0.00 H new ATOM 0 H2'' DG B 17 26.729 25.190 27.203 1.00 0.00 H new ATOM 0 H1' DG B 17 26.814 27.003 28.570 1.00 0.00 H new ATOM 0 H8 DG B 17 24.239 27.613 25.803 1.00 0.00 H new ATOM 0 H1 DG B 17 23.037 30.462 31.479 1.00 0.00 H new ATOM 0 H21 DG B 17 26.052 29.000 32.360 1.00 0.00 H new ATOM 0 H22 DG B 17 24.639 29.927 32.874 1.00 0.00 H new ATOM 540 P DT B 18 29.331 24.256 26.671 1.00 0.00 P ATOM 541 OP1 DT B 18 30.728 23.860 26.360 1.00 0.00 O ATOM 542 OP2 DT B 18 28.221 23.370 26.239 1.00 0.00 O ATOM 543 O5' DT B 18 29.219 24.521 28.254 1.00 0.00 O ATOM 544 C5' DT B 18 30.098 25.455 28.877 1.00 0.00 C ATOM 545 C4' DT B 18 29.814 25.669 30.366 1.00 0.00 C ATOM 546 O4' DT B 18 28.482 26.135 30.520 1.00 0.00 O ATOM 547 C3' DT B 18 29.979 24.398 31.209 1.00 0.00 C ATOM 548 O3' DT B 18 30.727 24.695 32.385 1.00 0.00 O ATOM 549 C2' DT B 18 28.533 24.006 31.500 1.00 0.00 C ATOM 550 C1' DT B 18 27.817 25.357 31.498 1.00 0.00 C ATOM 551 N1 DT B 18 26.368 25.339 31.147 1.00 0.00 N ATOM 552 C2 DT B 18 25.479 26.033 31.982 1.00 0.00 C ATOM 553 O2 DT B 18 25.759 26.442 33.104 1.00 0.00 O ATOM 554 N3 DT B 18 24.213 26.257 31.504 1.00 0.00 N ATOM 555 C4 DT B 18 23.770 25.898 30.256 1.00 0.00 C ATOM 556 O4 DT B 18 22.692 26.332 29.868 1.00 0.00 O ATOM 557 C5 DT B 18 24.665 25.019 29.509 1.00 0.00 C ATOM 558 C7 DT B 18 24.181 24.385 28.215 1.00 0.00 C ATOM 559 C6 DT B 18 25.926 24.780 29.962 1.00 0.00 C ATOM 0 H5' DT B 18 30.022 26.412 28.361 1.00 0.00 H new ATOM 0 H5'' DT B 18 31.125 25.109 28.758 1.00 0.00 H new ATOM 0 H4' DT B 18 30.545 26.394 30.723 1.00 0.00 H new ATOM 0 H3' DT B 18 30.528 23.590 30.726 1.00 0.00 H new ATOM 0 H2' DT B 18 28.134 23.334 30.740 1.00 0.00 H new ATOM 0 H2'' DT B 18 28.436 23.497 32.459 1.00 0.00 H new ATOM 0 H1' DT B 18 27.854 25.739 32.518 1.00 0.00 H new ATOM 0 H3 DT B 18 23.551 26.726 32.123 1.00 0.00 H new ATOM 0 H71 DT B 18 23.102 24.235 28.264 1.00 0.00 H new ATOM 0 H72 DT B 18 24.418 25.041 27.377 1.00 0.00 H new ATOM 0 H73 DT B 18 24.675 23.424 28.074 1.00 0.00 H new ATOM 0 H6 DT B 18 26.588 24.147 29.390 1.00 0.00 H new ATOM 572 P DA B 19 31.537 23.553 33.196 1.00 0.00 P ATOM 573 OP1 DA B 19 32.582 24.227 34.007 1.00 0.00 O ATOM 574 OP2 DA B 19 31.955 22.488 32.250 1.00 0.00 O ATOM 575 O5' DA B 19 30.427 22.937 34.189 1.00 0.00 O ATOM 576 C5' DA B 19 30.075 23.619 35.385 1.00 0.00 C ATOM 577 C4' DA B 19 28.703 23.226 35.938 1.00 0.00 C ATOM 578 O4' DA B 19 27.669 23.565 35.027 1.00 0.00 O ATOM 579 C3' DA B 19 28.518 21.751 36.325 1.00 0.00 C ATOM 580 O3' DA B 19 28.444 21.673 37.747 1.00 0.00 O ATOM 581 C2' DA B 19 27.222 21.386 35.593 1.00 0.00 C ATOM 582 C1' DA B 19 26.565 22.736 35.314 1.00 0.00 C ATOM 583 N9 DA B 19 25.683 22.722 34.129 1.00 0.00 N ATOM 584 C8 DA B 19 25.982 22.234 32.880 1.00 0.00 C ATOM 585 N7 DA B 19 25.047 22.411 31.990 1.00 0.00 N ATOM 586 C5 DA B 19 24.043 23.056 32.725 1.00 0.00 C ATOM 587 C6 DA B 19 22.760 23.552 32.411 1.00 0.00 C ATOM 588 N6 DA B 19 22.234 23.487 31.208 1.00 0.00 N ATOM 589 N1 DA B 19 22.004 24.171 33.315 1.00 0.00 N ATOM 590 C2 DA B 19 22.495 24.288 34.539 1.00 0.00 C ATOM 591 N3 DA B 19 23.675 23.874 34.997 1.00 0.00 N ATOM 592 C4 DA B 19 24.416 23.258 34.027 1.00 0.00 C ATOM 0 H5' DA B 19 30.087 24.693 35.197 1.00 0.00 H new ATOM 0 H5'' DA B 19 30.833 23.419 36.143 1.00 0.00 H new ATOM 0 H4' DA B 19 28.645 23.798 36.864 1.00 0.00 H new ATOM 0 H3' DA B 19 29.318 21.064 36.050 1.00 0.00 H new ATOM 0 H2' DA B 19 27.424 20.842 34.670 1.00 0.00 H new ATOM 0 H2'' DA B 19 26.583 20.750 36.205 1.00 0.00 H new ATOM 0 H1' DA B 19 25.939 23.047 36.150 1.00 0.00 H new ATOM 0 H8 DA B 19 26.917 21.743 32.654 1.00 0.00 H new ATOM 0 H61 DA B 19 21.301 23.862 31.038 1.00 0.00 H new ATOM 0 H62 DA B 19 22.759 23.061 30.444 1.00 0.00 H new ATOM 0 H2 DA B 19 21.858 24.782 35.257 1.00 0.00 H new ATOM 604 P DC B 20 28.150 20.306 38.554 1.00 0.00 P ATOM 605 OP1 DC B 20 28.715 20.452 39.919 1.00 0.00 O ATOM 606 OP2 DC B 20 28.572 19.150 37.724 1.00 0.00 O ATOM 607 O5' DC B 20 26.544 20.296 38.665 1.00 0.00 O ATOM 608 C5' DC B 20 25.858 21.351 39.332 1.00 0.00 C ATOM 609 C4' DC B 20 24.343 21.330 39.088 1.00 0.00 C ATOM 610 O4' DC B 20 24.063 21.450 37.695 1.00 0.00 O ATOM 611 C3' DC B 20 23.654 20.051 39.596 1.00 0.00 C ATOM 612 O3' DC B 20 22.568 20.386 40.457 1.00 0.00 O ATOM 613 C2' DC B 20 23.205 19.393 38.291 1.00 0.00 C ATOM 614 C1' DC B 20 22.968 20.605 37.390 1.00 0.00 C ATOM 615 N1 DC B 20 22.952 20.315 35.927 1.00 0.00 N ATOM 616 C2 DC B 20 21.880 20.767 35.143 1.00 0.00 C ATOM 617 O2 DC B 20 20.885 21.301 35.632 1.00 0.00 O ATOM 618 N3 DC B 20 21.904 20.640 33.792 1.00 0.00 N ATOM 619 C4 DC B 20 22.960 20.091 33.233 1.00 0.00 C ATOM 620 N4 DC B 20 22.965 20.034 31.934 1.00 0.00 N ATOM 621 C5 DC B 20 24.064 19.585 33.969 1.00 0.00 C ATOM 622 C6 DC B 20 24.022 19.707 35.319 1.00 0.00 C ATOM 0 H5' DC B 20 26.261 22.307 38.998 1.00 0.00 H new ATOM 0 H5'' DC B 20 26.049 21.281 40.403 1.00 0.00 H new ATOM 0 H4' DC B 20 23.947 22.176 39.651 1.00 0.00 H new ATOM 0 H3' DC B 20 24.283 19.393 40.196 1.00 0.00 H new ATOM 0 H2' DC B 20 23.967 18.727 37.887 1.00 0.00 H new ATOM 0 H2'' DC B 20 22.300 18.800 38.423 1.00 0.00 H new ATOM 0 H1' DC B 20 21.980 21.026 37.580 1.00 0.00 H new ATOM 0 H41 DC B 20 23.758 19.619 31.445 1.00 0.00 H new ATOM 0 H42 DC B 20 22.176 20.404 31.404 1.00 0.00 H new ATOM 0 H5 DC B 20 24.904 19.121 33.473 1.00 0.00 H new ATOM 0 H6 DC B 20 24.834 19.324 35.919 1.00 0.00 H new ATOM 634 P DA B 21 21.917 19.325 41.493 1.00 0.00 P ATOM 635 OP1 DA B 21 21.264 20.096 42.582 1.00 0.00 O ATOM 636 OP2 DA B 21 22.938 18.312 41.860 1.00 0.00 O ATOM 637 O5' DA B 21 20.770 18.585 40.637 1.00 0.00 O ATOM 638 C5' DA B 21 19.557 19.259 40.327 1.00 0.00 C ATOM 639 C4' DA B 21 18.833 18.678 39.110 1.00 0.00 C ATOM 640 O4' DA B 21 19.681 18.718 37.971 1.00 0.00 O ATOM 641 C3' DA B 21 18.282 17.250 39.249 1.00 0.00 C ATOM 642 O3' DA B 21 16.855 17.289 39.210 1.00 0.00 O ATOM 643 C2' DA B 21 18.907 16.546 38.040 1.00 0.00 C ATOM 644 C1' DA B 21 19.240 17.704 37.100 1.00 0.00 C ATOM 645 N9 DA B 21 20.306 17.409 36.119 1.00 0.00 N ATOM 646 C8 DA B 21 21.568 16.905 36.341 1.00 0.00 C ATOM 647 N7 DA B 21 22.277 16.733 35.256 1.00 0.00 N ATOM 648 C5 DA B 21 21.412 17.177 34.242 1.00 0.00 C ATOM 649 C6 DA B 21 21.492 17.294 32.833 1.00 0.00 C ATOM 650 N6 DA B 21 22.531 16.952 32.095 1.00 0.00 N ATOM 651 N1 DA B 21 20.485 17.805 32.126 1.00 0.00 N ATOM 652 C2 DA B 21 19.402 18.202 32.774 1.00 0.00 C ATOM 653 N3 DA B 21 19.166 18.143 34.077 1.00 0.00 N ATOM 654 C4 DA B 21 20.222 17.614 34.763 1.00 0.00 C ATOM 0 H5' DA B 21 19.771 20.312 40.144 1.00 0.00 H new ATOM 0 H5'' DA B 21 18.894 19.214 41.191 1.00 0.00 H new ATOM 0 H4' DA B 21 17.958 19.319 39.007 1.00 0.00 H new ATOM 0 H3' DA B 21 18.521 16.739 40.181 1.00 0.00 H new ATOM 0 H2' DA B 21 19.798 15.983 38.317 1.00 0.00 H new ATOM 0 H2'' DA B 21 18.214 15.841 37.581 1.00 0.00 H new ATOM 0 H1' DA B 21 18.371 17.956 36.493 1.00 0.00 H new ATOM 0 H8 DA B 21 21.941 16.672 37.327 1.00 0.00 H new ATOM 0 H61 DA B 21 22.499 17.072 31.083 1.00 0.00 H new ATOM 0 H62 DA B 21 23.366 16.567 32.537 1.00 0.00 H new ATOM 0 H2 DA B 21 18.615 18.625 32.168 1.00 0.00 H new ATOM 666 P DT B 22 15.935 15.989 39.497 1.00 0.00 P ATOM 667 OP1 DT B 22 14.692 16.452 40.162 1.00 0.00 O ATOM 668 OP2 DT B 22 16.756 14.953 40.172 1.00 0.00 O ATOM 669 O5' DT B 22 15.564 15.453 38.021 1.00 0.00 O ATOM 670 C5' DT B 22 14.529 16.073 37.261 1.00 0.00 C ATOM 671 C4' DT B 22 14.519 15.672 35.780 1.00 0.00 C ATOM 672 O4' DT B 22 15.755 15.998 35.166 1.00 0.00 O ATOM 673 C3' DT B 22 14.336 14.169 35.544 1.00 0.00 C ATOM 674 O3' DT B 22 12.970 13.768 35.501 1.00 0.00 O ATOM 675 C2' DT B 22 14.987 14.000 34.175 1.00 0.00 C ATOM 676 C1' DT B 22 15.851 15.237 33.978 1.00 0.00 C ATOM 677 N1 DT B 22 17.261 14.890 33.693 1.00 0.00 N ATOM 678 C2 DT B 22 17.731 15.055 32.387 1.00 0.00 C ATOM 679 O2 DT B 22 17.033 15.436 31.448 1.00 0.00 O ATOM 680 N3 DT B 22 19.055 14.765 32.176 1.00 0.00 N ATOM 681 C4 DT B 22 19.953 14.334 33.123 1.00 0.00 C ATOM 682 O4 DT B 22 21.122 14.167 32.782 1.00 0.00 O ATOM 683 C5 DT B 22 19.383 14.138 34.460 1.00 0.00 C ATOM 684 C7 DT B 22 20.236 13.679 35.627 1.00 0.00 C ATOM 685 C6 DT B 22 18.074 14.404 34.695 1.00 0.00 C ATOM 0 H5' DT B 22 14.637 17.155 37.333 1.00 0.00 H new ATOM 0 H5'' DT B 22 13.565 15.819 37.703 1.00 0.00 H new ATOM 0 H4' DT B 22 13.674 16.217 35.359 1.00 0.00 H new ATOM 0 H3' DT B 22 14.762 13.562 36.343 1.00 0.00 H new ATOM 0 H2' DT B 22 15.588 13.092 34.136 1.00 0.00 H new ATOM 0 H2'' DT B 22 14.235 13.918 33.390 1.00 0.00 H new ATOM 0 H1' DT B 22 15.499 15.802 33.115 1.00 0.00 H new ATOM 0 H3 DT B 22 19.407 14.880 31.225 1.00 0.00 H new ATOM 0 H71 DT B 22 19.832 14.084 36.555 1.00 0.00 H new ATOM 0 H72 DT B 22 20.232 12.590 35.674 1.00 0.00 H new ATOM 0 H73 DT B 22 21.258 14.033 35.492 1.00 0.00 H new ATOM 0 H6 DT B 22 17.663 14.233 35.679 1.00 0.00 H new ATOM 698 P DC B 23 12.548 12.207 35.493 1.00 0.00 P ATOM 699 OP1 DC B 23 11.068 12.142 35.596 1.00 0.00 O ATOM 700 OP2 DC B 23 13.362 11.499 36.511 1.00 0.00 O ATOM 701 O5' DC B 23 12.981 11.659 34.035 1.00 0.00 O ATOM 702 C5' DC B 23 12.325 12.101 32.851 1.00 0.00 C ATOM 703 C4' DC B 23 13.051 11.694 31.554 1.00 0.00 C ATOM 704 O4' DC B 23 14.406 12.160 31.537 1.00 0.00 O ATOM 705 C3' DC B 23 13.080 10.174 31.312 1.00 0.00 C ATOM 706 O3' DC B 23 12.616 9.916 29.990 1.00 0.00 O ATOM 707 C2' DC B 23 14.555 9.854 31.538 1.00 0.00 C ATOM 708 C1' DC B 23 15.237 11.127 31.034 1.00 0.00 C ATOM 709 N1 DC B 23 16.652 11.263 31.498 1.00 0.00 N ATOM 710 C2 DC B 23 17.666 11.499 30.555 1.00 0.00 C ATOM 711 O2 DC B 23 17.428 11.775 29.379 1.00 0.00 O ATOM 712 N3 DC B 23 18.973 11.419 30.906 1.00 0.00 N ATOM 713 C4 DC B 23 19.270 11.154 32.160 1.00 0.00 C ATOM 714 N4 DC B 23 20.537 11.081 32.437 1.00 0.00 N ATOM 715 C5 DC B 23 18.297 10.998 33.182 1.00 0.00 C ATOM 716 C6 DC B 23 16.993 11.060 32.815 1.00 0.00 C ATOM 0 H5' DC B 23 12.233 13.187 32.880 1.00 0.00 H new ATOM 0 H5'' DC B 23 11.313 11.696 32.833 1.00 0.00 H new ATOM 0 H4' DC B 23 12.469 12.164 30.761 1.00 0.00 H new ATOM 0 H3' DC B 23 12.442 9.562 31.950 1.00 0.00 H new ATOM 0 H2' DC B 23 14.775 9.662 32.588 1.00 0.00 H new ATOM 0 H2'' DC B 23 14.872 8.973 30.980 1.00 0.00 H new ATOM 0 H1' DC B 23 15.331 11.141 29.948 1.00 0.00 H new ATOM 0 H41 DC B 23 20.840 10.879 33.390 1.00 0.00 H new ATOM 0 H42 DC B 23 21.229 11.226 31.702 1.00 0.00 H new ATOM 0 H5 DC B 23 18.584 10.836 34.211 1.00 0.00 H new ATOM 0 H6 DC B 23 16.219 10.950 33.560 1.00 0.00 H new ATOM 728 P DG B 24 12.577 8.444 29.331 1.00 0.00 P ATOM 729 OP1 DG B 24 11.496 8.424 28.314 1.00 0.00 O ATOM 730 OP2 DG B 24 12.569 7.423 30.407 1.00 0.00 O ATOM 731 O5' DG B 24 13.993 8.375 28.572 1.00 0.00 O ATOM 732 C5' DG B 24 14.291 9.271 27.507 1.00 0.00 C ATOM 733 C4' DG B 24 15.688 9.050 26.915 1.00 0.00 C ATOM 734 O4' DG B 24 16.680 9.303 27.906 1.00 0.00 O ATOM 735 C3' DG B 24 15.912 7.614 26.396 1.00 0.00 C ATOM 736 O3' DG B 24 16.568 7.616 25.131 1.00 0.00 O ATOM 737 C2' DG B 24 16.834 7.031 27.463 1.00 0.00 C ATOM 738 C1' DG B 24 17.644 8.271 27.817 1.00 0.00 C ATOM 739 N9 DG B 24 18.413 8.132 29.071 1.00 0.00 N ATOM 740 C8 DG B 24 17.968 8.010 30.364 1.00 0.00 C ATOM 741 N7 DG B 24 18.927 7.930 31.254 1.00 0.00 N ATOM 742 C5 DG B 24 20.101 7.991 30.483 1.00 0.00 C ATOM 743 C6 DG B 24 21.501 7.966 30.838 1.00 0.00 C ATOM 744 O6 DG B 24 22.027 7.901 31.952 1.00 0.00 O ATOM 745 N1 DG B 24 22.348 8.021 29.745 1.00 0.00 N ATOM 746 C2 DG B 24 21.917 8.097 28.463 1.00 0.00 C ATOM 747 N2 DG B 24 22.811 8.173 27.518 1.00 0.00 N ATOM 748 N3 DG B 24 20.646 8.133 28.087 1.00 0.00 N ATOM 749 C4 DG B 24 19.784 8.083 29.145 1.00 0.00 C ATOM 0 H5' DG B 24 14.213 10.296 27.869 1.00 0.00 H new ATOM 0 H5'' DG B 24 13.546 9.153 26.720 1.00 0.00 H new ATOM 0 H4' DG B 24 15.767 9.738 26.073 1.00 0.00 H new ATOM 0 H3' DG B 24 14.985 7.060 26.247 1.00 0.00 H new ATOM 0 H2' DG B 24 16.285 6.634 28.317 1.00 0.00 H new ATOM 0 H2'' DG B 24 17.456 6.222 27.080 1.00 0.00 H new ATOM 0 HO3' DG B 24 16.698 6.693 24.828 1.00 0.00 H new ATOM 0 H1' DG B 24 18.409 8.469 27.067 1.00 0.00 H new ATOM 0 H8 DG B 24 16.920 7.982 30.625 1.00 0.00 H new ATOM 0 H1 DG B 24 23.354 8.003 29.914 1.00 0.00 H new ATOM 0 H21 DG B 24 22.518 8.231 26.543 1.00 0.00 H new ATOM 0 H22 DG B 24 23.803 8.174 27.754 1.00 0.00 H new TER 762 DG B 24 HETATM 763 O81 9U2 A 100 15.402 25.040 38.535 1.00 0.00 O HETATM 764 C81 9U2 A 100 15.986 24.680 37.523 1.00 0.00 C HETATM 765 C82 9U2 A 100 15.386 23.790 36.471 1.00 0.00 C HETATM 766 C84 9U2 A 100 14.063 23.347 36.436 1.00 0.00 C HETATM 767 C85 9U2 A 100 12.912 23.675 37.383 1.00 0.00 C HETATM 768 S81 9U2 A 100 13.740 22.401 35.002 1.00 0.00 S HETATM 769 C83 9U2 A 100 15.407 22.616 34.551 1.00 0.00 C HETATM 770 N81 9U2 A 100 16.135 23.340 35.384 1.00 0.00 N HETATM 771 CM8 9U2 A 100 12.477 25.160 37.374 1.00 0.00 C HETATM 772 CM9 9U2 A 100 13.037 23.100 38.818 1.00 0.00 C HETATM 781 N PYB A 101 17.285 25.104 37.248 1.00 0.00 N HETATM 782 CA PYB A 101 18.098 25.886 38.063 1.00 0.00 C HETATM 783 CB1 PYB A 101 19.399 26.344 37.728 1.00 0.00 C HETATM 784 CB PYB A 101 17.800 26.301 39.332 1.00 0.00 C HETATM 785 CG1 PYB A 101 19.897 27.002 38.829 1.00 0.00 C HETATM 786 NG2 PYB A 101 18.891 27.013 39.803 1.00 0.00 N HETATM 787 CD PYB A 101 18.890 27.669 41.122 1.00 0.00 C HETATM 788 C PYB A 101 21.250 27.544 39.123 1.00 0.00 C HETATM 789 O PYB A 101 21.578 27.874 40.254 1.00 0.00 O HETATM 0 HD3 PYB A 101 18.087 28.405 41.162 1.00 0.00 H new HETATM 0 HD2 PYB A 101 18.736 26.921 41.900 1.00 0.00 H new HETATM 0 HD1 PYB A 101 19.846 28.167 41.281 1.00 0.00 H new HETATM 0 HB1 PYB A 101 19.909 26.201 36.775 1.00 0.00 H new HETATM 0 HB PYB A 101 16.874 26.107 39.873 1.00 0.00 H new HETATM 0 H PYB A 101 17.614 24.815 36.327 1.00 0.00 H new HETATM 796 N PYB A 102 22.116 27.666 38.049 1.00 0.00 N HETATM 797 CA PYB A 102 23.451 28.053 38.141 1.00 0.00 C HETATM 798 CB1 PYB A 102 24.237 28.593 37.094 1.00 0.00 C HETATM 799 CB PYB A 102 24.213 28.023 39.281 1.00 0.00 C HETATM 800 CG1 PYB A 102 25.464 28.931 37.623 1.00 0.00 C HETATM 801 NG2 PYB A 102 25.463 28.536 38.965 1.00 0.00 N HETATM 802 CD PYB A 102 26.551 28.625 39.952 1.00 0.00 C HETATM 803 C PYB A 102 26.653 29.586 37.003 1.00 0.00 C HETATM 804 O PYB A 102 27.726 29.725 37.577 1.00 0.00 O HETATM 0 HD3 PYB A 102 26.237 29.256 40.784 1.00 0.00 H new HETATM 0 HD2 PYB A 102 26.789 27.628 40.322 1.00 0.00 H new HETATM 0 HD1 PYB A 102 27.434 29.057 39.482 1.00 0.00 H new HETATM 0 HB1 PYB A 102 23.927 28.719 36.057 1.00 0.00 H new HETATM 0 HB PYB A 102 23.894 27.661 40.259 1.00 0.00 H new HETATM 0 H PYB A 102 21.617 27.762 37.165 1.00 0.00 H new HETATM 811 N PYB A 103 26.444 30.086 35.731 1.00 0.00 N HETATM 812 CA PYB A 103 27.374 30.727 34.920 1.00 0.00 C HETATM 813 CB1 PYB A 103 27.037 31.450 33.757 1.00 0.00 C HETATM 814 CB PYB A 103 28.732 30.784 35.094 1.00 0.00 C HETATM 815 CG1 PYB A 103 28.202 31.911 33.200 1.00 0.00 C HETATM 816 NG2 PYB A 103 29.251 31.530 34.041 1.00 0.00 N HETATM 817 CD PYB A 103 30.682 31.829 33.887 1.00 0.00 C HETATM 818 C PYB A 103 28.406 32.599 31.901 1.00 0.00 C HETATM 819 O PYB A 103 29.485 32.899 31.410 1.00 0.00 O HETATM 0 HD3 PYB A 103 31.033 32.386 34.756 1.00 0.00 H new HETATM 0 HD2 PYB A 103 31.241 30.897 33.804 1.00 0.00 H new HETATM 0 HD1 PYB A 103 30.834 32.425 32.987 1.00 0.00 H new HETATM 0 HB1 PYB A 103 26.031 31.613 33.370 1.00 0.00 H new HETATM 0 HB PYB A 103 29.300 30.330 35.906 1.00 0.00 H new HETATM 0 H PYB A 103 25.452 30.123 35.497 1.00 0.00 H new HETATM 826 N ABU A 104 27.224 32.854 31.254 1.00 0.00 N HETATM 827 CA ABU A 104 27.085 33.287 29.862 1.00 0.00 C HETATM 828 CB ABU A 104 26.473 32.166 28.997 1.00 0.00 C HETATM 829 CG ABU A 104 27.490 31.199 28.345 1.00 0.00 C HETATM 830 CD ABU A 104 28.531 30.543 29.264 1.00 0.00 C HETATM 831 OE1 ABU A 104 29.723 30.714 29.065 1.00 0.00 O HETATM 0 H ABU A 104 26.323 32.754 31.722 1.00 0.00 H new HETATM 0 HB1 ABU A 104 25.790 31.584 29.616 1.00 0.00 H new HETATM 0 HB2 ABU A 104 25.876 32.624 28.208 1.00 0.00 H new HETATM 0 HG1 ABU A 104 26.956 30.450 27.760 1.00 0.00 H new HETATM 0 HG2 ABU A 104 28.159 31.760 27.693 1.00 0.00 H new HETATM 0 HE2 ABU A 104 28.072 30.704 29.123 1.00 0.00 H new HETATM 839 N IMT A 105 28.038 29.771 30.293 1.00 0.00 N HETATM 840 CA IMT A 105 28.709 29.173 31.331 1.00 0.00 C HETATM 841 NB1 IMT A 105 28.099 28.539 32.384 1.00 0.00 N HETATM 842 CB IMT A 105 30.072 29.163 31.479 1.00 0.00 C HETATM 843 CG1 IMT A 105 29.095 28.170 33.192 1.00 0.00 C HETATM 844 NG2 IMT A 105 30.334 28.519 32.664 1.00 0.00 N HETATM 845 CD IMT A 105 31.682 28.268 33.199 1.00 0.00 C HETATM 846 C IMT A 105 29.016 27.507 34.545 1.00 0.00 C HETATM 847 O IMT A 105 29.984 27.337 35.279 1.00 0.00 O HETATM 0 HN2 IMT A 105 27.018 29.762 30.272 1.00 0.00 H new HETATM 0 HD3 IMT A 105 32.246 27.659 32.493 1.00 0.00 H new HETATM 0 HD2 IMT A 105 32.196 29.217 33.351 1.00 0.00 H new HETATM 0 HD1 IMT A 105 31.604 27.742 34.150 1.00 0.00 H new HETATM 0 HB IMT A 105 30.805 29.584 30.791 1.00 0.00 H new HETATM 853 N PYB A 106 27.746 27.088 34.924 1.00 0.00 N HETATM 854 CA PYB A 106 27.376 26.496 36.126 1.00 0.00 C HETATM 855 CB1 PYB A 106 26.098 25.944 36.399 1.00 0.00 C HETATM 856 CB PYB A 106 28.158 26.367 37.243 1.00 0.00 C HETATM 857 CG1 PYB A 106 26.118 25.476 37.692 1.00 0.00 C HETATM 858 NG2 PYB A 106 27.407 25.692 38.194 1.00 0.00 N HETATM 859 CD PYB A 106 27.981 25.219 39.462 1.00 0.00 C HETATM 860 C PYB A 106 25.037 24.921 38.547 1.00 0.00 C HETATM 861 O PYB A 106 25.188 24.727 39.747 1.00 0.00 O HETATM 0 HD3 PYB A 106 28.790 24.518 39.256 1.00 0.00 H new HETATM 0 HD2 PYB A 106 28.370 26.068 40.024 1.00 0.00 H new HETATM 0 HD1 PYB A 106 27.209 24.720 40.047 1.00 0.00 H new HETATM 0 HB1 PYB A 106 25.255 25.899 35.710 1.00 0.00 H new HETATM 0 HB PYB A 106 29.180 26.727 37.362 1.00 0.00 H new HETATM 0 H PYB A 106 27.076 27.149 34.158 1.00 0.00 H new HETATM 868 N PYB A 107 23.843 24.631 37.909 1.00 0.00 N HETATM 869 CA PYB A 107 22.652 24.299 38.548 1.00 0.00 C HETATM 870 CB1 PYB A 107 21.549 23.635 37.960 1.00 0.00 C HETATM 871 CB PYB A 107 22.361 24.544 39.863 1.00 0.00 C HETATM 872 CG1 PYB A 107 20.602 23.447 38.941 1.00 0.00 C HETATM 873 NG2 PYB A 107 21.092 24.040 40.111 1.00 0.00 N HETATM 874 CD PYB A 107 20.455 24.124 41.436 1.00 0.00 C HETATM 875 C PYB A 107 19.278 22.762 38.902 1.00 0.00 C HETATM 876 O PYB A 107 18.501 22.764 39.847 1.00 0.00 O HETATM 0 HD3 PYB A 107 21.068 23.599 42.168 1.00 0.00 H new HETATM 0 HD2 PYB A 107 20.358 25.170 41.727 1.00 0.00 H new HETATM 0 HD1 PYB A 107 19.467 23.666 41.394 1.00 0.00 H new HETATM 0 HB1 PYB A 107 21.465 23.328 36.918 1.00 0.00 H new HETATM 0 HB PYB A 107 23.008 25.044 40.584 1.00 0.00 H new HETATM 0 H PYB A 107 23.978 24.394 36.926 1.00 0.00 H new HETATM 883 N PYB A 108 18.993 22.077 37.731 1.00 0.00 N HETATM 884 CA PYB A 108 17.828 21.373 37.438 1.00 0.00 C HETATM 885 CB1 PYB A 108 17.647 20.564 36.293 1.00 0.00 C HETATM 886 CB PYB A 108 16.680 21.317 38.191 1.00 0.00 C HETATM 887 CG1 PYB A 108 16.365 20.073 36.323 1.00 0.00 C HETATM 888 NG2 PYB A 108 15.796 20.468 37.535 1.00 0.00 N HETATM 889 CD PYB A 108 14.503 20.064 38.100 1.00 0.00 C HETATM 890 C PYB A 108 15.602 19.341 35.274 1.00 0.00 C HETATM 891 O PYB A 108 14.434 18.994 35.372 1.00 0.00 O HETATM 0 HD3 PYB A 108 14.665 19.544 39.044 1.00 0.00 H new HETATM 0 HD2 PYB A 108 13.889 20.948 38.273 1.00 0.00 H new HETATM 0 HD1 PYB A 108 13.993 19.399 37.403 1.00 0.00 H new HETATM 0 HB1 PYB A 108 18.393 20.365 35.523 1.00 0.00 H new HETATM 0 HB PYB A 108 16.496 21.841 39.129 1.00 0.00 H new HETATM 0 H PYB A 108 19.791 22.029 37.098 1.00 0.00 H new HETATM 898 C01 9T8 A 109 10.841 19.379 26.755 1.00 0.00 C HETATM 899 N02 9T8 A 109 15.131 18.055 29.788 1.00 0.00 N HETATM 900 C03 9T8 A 109 12.621 18.002 27.799 1.00 0.00 C HETATM 901 C05 9T8 A 109 14.534 16.894 29.104 1.00 0.00 C HETATM 902 C06 9T8 A 109 14.480 18.778 30.761 1.00 0.00 C HETATM 903 C07 9T8 A 109 15.364 19.464 31.798 1.00 0.00 C HETATM 904 C04 9T8 A 109 13.940 17.216 27.714 1.00 0.00 C HETATM 905 N01 9T8 A 109 12.114 18.582 26.479 1.00 0.00 N HETATM 906 C02 9T8 A 109 11.796 17.482 25.464 1.00 0.00 C HETATM 907 N03 9T8 A 109 16.308 19.136 34.110 1.00 0.00 N HETATM 908 C08 9T8 A 109 15.752 18.478 32.916 1.00 0.00 C HETATM 909 O01 9T8 A 109 13.262 18.793 30.837 1.00 0.00 O