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= -0.15 (180deg=-0.15) USER MOD Single : A 6 DT C7 :methyl -30:sc= -1.16 (180deg=-1.54!) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.0247 (180deg=-0.0247) 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 -30:sc= -0.421 (180deg=-0.553) USER MOD Single : B 18 DT C7 :methyl 150:sc= -0.891 (180deg=-0.891) 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 27.213 8.712 28.603 1.00 0.00 N HETATM 2 C2 DCZ A 1 25.875 8.425 28.903 1.00 0.00 C HETATM 3 N3 DCZ A 1 25.207 9.107 29.860 1.00 0.00 N HETATM 4 C4 DCZ A 1 25.862 10.035 30.524 1.00 0.00 C HETATM 5 C5 DCZ A 1 27.245 10.317 30.339 1.00 0.00 C HETATM 6 C6 DCZ A 1 27.894 9.637 29.358 1.00 0.00 C HETATM 7 O2 DCZ A 1 25.246 7.559 28.294 1.00 0.00 O HETATM 8 N4 DCZ A 1 25.146 10.727 31.362 1.00 0.00 N HETATM 9 C1' DCZ A 1 27.771 8.182 27.327 1.00 0.00 C HETATM 10 C2' DCZ A 1 27.673 9.250 26.231 1.00 0.00 C HETATM 11 C3' DCZ A 1 29.117 9.683 26.009 1.00 0.00 C HETATM 12 C4' DCZ A 1 29.820 8.352 26.290 1.00 0.00 C HETATM 13 O4' DCZ A 1 29.145 7.838 27.435 1.00 0.00 O HETATM 14 O3' DCZ A 1 29.327 10.164 24.687 1.00 0.00 O HETATM 15 C5' DCZ A 1 31.334 8.466 26.530 1.00 0.00 C HETATM 16 O5' DCZ A 1 31.673 9.314 27.630 1.00 0.00 O HETATM 0 HO51 DCZ A 1 32.647 9.344 27.732 1.00 0.00 H new HETATM 0 HN42 DCZ A 1 25.580 11.466 31.915 1.00 0.00 H new HETATM 0 HN41 DCZ A 1 24.150 10.531 31.466 1.00 0.00 H new HETATM 0 H5'2 DCZ A 1 31.742 7.471 26.709 1.00 0.00 H new HETATM 0 H5'1 DCZ A 1 31.810 8.848 25.627 1.00 0.00 H new HETATM 0 H2'2 DCZ A 1 27.232 8.847 25.319 1.00 0.00 H new HETATM 0 H2'1 DCZ A 1 27.049 10.087 26.544 1.00 0.00 H new HETATM 0 H6 DCZ A 1 28.951 9.824 29.170 1.00 0.00 H new HETATM 0 H5 DCZ A 1 27.762 11.049 30.959 1.00 0.00 H new HETATM 0 H4' DCZ A 1 29.761 7.698 25.420 1.00 0.00 H new HETATM 0 H3' DCZ A 1 29.465 10.515 26.621 1.00 0.00 H new HETATM 0 H1' DCZ A 1 27.190 7.292 27.088 1.00 0.00 H new ATOM 29 P DG A 2 28.834 11.631 24.222 1.00 0.00 P ATOM 30 OP1 DG A 2 29.547 11.967 22.965 1.00 0.00 O ATOM 31 OP2 DG A 2 28.951 12.559 25.374 1.00 0.00 O ATOM 32 O5' DG A 2 27.263 11.464 23.887 1.00 0.00 O ATOM 33 C5' DG A 2 26.807 10.641 22.819 1.00 0.00 C ATOM 34 C4' DG A 2 25.317 10.831 22.472 1.00 0.00 C ATOM 35 O4' DG A 2 24.469 10.481 23.568 1.00 0.00 O ATOM 36 C3' DG A 2 24.973 12.273 22.068 1.00 0.00 C ATOM 37 O3' DG A 2 23.995 12.271 21.031 1.00 0.00 O ATOM 38 C2' DG A 2 24.449 12.840 23.384 1.00 0.00 C ATOM 39 C1' DG A 2 23.762 11.631 24.025 1.00 0.00 C ATOM 40 N9 DG A 2 23.802 11.664 25.508 1.00 0.00 N ATOM 41 C8 DG A 2 24.906 11.784 26.318 1.00 0.00 C ATOM 42 N7 DG A 2 24.655 11.689 27.596 1.00 0.00 N ATOM 43 C5 DG A 2 23.263 11.539 27.644 1.00 0.00 C ATOM 44 C6 DG A 2 22.359 11.415 28.758 1.00 0.00 C ATOM 45 O6 DG A 2 22.606 11.363 29.963 1.00 0.00 O ATOM 46 N1 DG A 2 21.033 11.360 28.389 1.00 0.00 N ATOM 47 C2 DG A 2 20.607 11.358 27.104 1.00 0.00 C ATOM 48 N2 DG A 2 19.315 11.314 26.913 1.00 0.00 N ATOM 49 N3 DG A 2 21.403 11.440 26.037 1.00 0.00 N ATOM 50 C4 DG A 2 22.730 11.539 26.370 1.00 0.00 C ATOM 0 H5' DG A 2 26.978 9.597 23.080 1.00 0.00 H new ATOM 0 H5'' DG A 2 27.405 10.850 21.932 1.00 0.00 H new ATOM 0 H4' DG A 2 25.143 10.168 21.624 1.00 0.00 H new ATOM 0 H3' DG A 2 25.799 12.856 21.660 1.00 0.00 H new ATOM 0 H2' DG A 2 25.255 13.225 24.008 1.00 0.00 H new ATOM 0 H2'' DG A 2 23.752 13.662 23.221 1.00 0.00 H new ATOM 0 H1' DG A 2 22.709 11.626 23.743 1.00 0.00 H new ATOM 0 H8 DG A 2 25.901 11.944 25.929 1.00 0.00 H new ATOM 0 H1 DG A 2 20.331 11.318 29.128 1.00 0.00 H new ATOM 0 H21 DG A 2 18.939 11.310 25.965 1.00 0.00 H new ATOM 0 H22 DG A 2 18.682 11.283 27.712 1.00 0.00 H new ATOM 62 P DA A 3 23.735 13.560 20.092 1.00 0.00 P ATOM 63 OP1 DA A 3 23.015 13.100 18.877 1.00 0.00 O ATOM 64 OP2 DA A 3 25.011 14.301 19.923 1.00 0.00 O ATOM 65 O5' DA A 3 22.737 14.467 20.975 1.00 0.00 O ATOM 66 C5' DA A 3 21.342 14.193 21.027 1.00 0.00 C ATOM 67 C4' DA A 3 20.659 14.799 22.260 1.00 0.00 C ATOM 68 O4' DA A 3 21.139 14.196 23.456 1.00 0.00 O ATOM 69 C3' DA A 3 20.891 16.301 22.467 1.00 0.00 C ATOM 70 O3' DA A 3 20.018 17.134 21.706 1.00 0.00 O ATOM 71 C2' DA A 3 20.603 16.420 23.962 1.00 0.00 C ATOM 72 C1' DA A 3 20.677 15.004 24.521 1.00 0.00 C ATOM 73 N9 DA A 3 21.539 14.941 25.719 1.00 0.00 N ATOM 74 C8 DA A 3 22.906 15.055 25.816 1.00 0.00 C ATOM 75 N7 DA A 3 23.364 14.997 27.042 1.00 0.00 N ATOM 76 C5 DA A 3 22.195 14.867 27.810 1.00 0.00 C ATOM 77 C6 DA A 3 21.902 14.757 29.193 1.00 0.00 C ATOM 78 N6 DA A 3 22.790 14.719 30.166 1.00 0.00 N ATOM 79 N1 DA A 3 20.644 14.672 29.624 1.00 0.00 N ATOM 80 C2 DA A 3 19.667 14.683 28.730 1.00 0.00 C ATOM 81 N3 DA A 3 19.779 14.778 27.411 1.00 0.00 N ATOM 82 C4 DA A 3 21.081 14.857 27.012 1.00 0.00 C ATOM 0 H5' DA A 3 21.189 13.114 21.027 1.00 0.00 H new ATOM 0 H5'' DA A 3 20.867 14.582 20.127 1.00 0.00 H new ATOM 0 H4' DA A 3 19.602 14.617 22.065 1.00 0.00 H new ATOM 0 H3' DA A 3 21.879 16.630 22.145 1.00 0.00 H new ATOM 0 H2' DA A 3 21.331 17.070 24.449 1.00 0.00 H new ATOM 0 H2'' DA A 3 19.620 16.857 24.136 1.00 0.00 H new ATOM 0 H1' DA A 3 19.707 14.649 24.869 1.00 0.00 H new ATOM 0 H8 DA A 3 23.547 15.181 24.956 1.00 0.00 H new ATOM 0 H61 DA A 3 22.482 14.638 31.135 1.00 0.00 H new ATOM 0 H62 DA A 3 23.786 14.770 29.950 1.00 0.00 H new ATOM 0 H2 DA A 3 18.663 14.606 29.119 1.00 0.00 H new ATOM 94 P DT A 4 20.089 18.753 21.782 1.00 0.00 P ATOM 95 OP1 DT A 4 19.302 19.290 20.644 1.00 0.00 O ATOM 96 OP2 DT A 4 21.510 19.156 21.916 1.00 0.00 O ATOM 97 O5' DT A 4 19.326 19.139 23.158 1.00 0.00 O ATOM 98 C5' DT A 4 17.913 18.997 23.280 1.00 0.00 C ATOM 99 C4' DT A 4 17.396 19.041 24.727 1.00 0.00 C ATOM 100 O4' DT A 4 18.006 18.032 25.529 1.00 0.00 O ATOM 101 C3' DT A 4 17.649 20.350 25.486 1.00 0.00 C ATOM 102 O3' DT A 4 16.860 21.462 25.038 1.00 0.00 O ATOM 103 C2' DT A 4 17.417 19.854 26.913 1.00 0.00 C ATOM 104 C1' DT A 4 18.013 18.446 26.890 1.00 0.00 C ATOM 105 N1 DT A 4 19.380 18.417 27.486 1.00 0.00 N ATOM 106 C2 DT A 4 19.464 18.225 28.869 1.00 0.00 C ATOM 107 O2 DT A 4 18.484 18.190 29.617 1.00 0.00 O ATOM 108 N3 DT A 4 20.722 18.092 29.398 1.00 0.00 N ATOM 109 C4 DT A 4 21.908 18.218 28.718 1.00 0.00 C ATOM 110 O4 DT A 4 22.959 18.047 29.336 1.00 0.00 O ATOM 111 C5 DT A 4 21.759 18.532 27.295 1.00 0.00 C ATOM 112 C7 DT A 4 22.994 18.737 26.434 1.00 0.00 C ATOM 113 C6 DT A 4 20.521 18.616 26.731 1.00 0.00 C ATOM 0 H5' DT A 4 17.614 18.051 22.828 1.00 0.00 H new ATOM 0 H5'' DT A 4 17.429 19.790 22.709 1.00 0.00 H new ATOM 0 H4' DT A 4 16.323 18.906 24.593 1.00 0.00 H new ATOM 0 H3' DT A 4 18.629 20.806 25.343 1.00 0.00 H new ATOM 0 H2' DT A 4 17.912 20.490 27.647 1.00 0.00 H new ATOM 0 H2'' DT A 4 16.357 19.839 27.168 1.00 0.00 H new ATOM 0 H1' DT A 4 17.426 17.759 27.500 1.00 0.00 H new ATOM 0 H3 DT A 4 20.783 17.879 30.394 1.00 0.00 H new ATOM 0 H71 DT A 4 22.777 18.436 25.409 1.00 0.00 H new ATOM 0 H72 DT A 4 23.278 19.789 26.450 1.00 0.00 H new ATOM 0 H73 DT A 4 23.814 18.133 26.824 1.00 0.00 H new ATOM 0 H6 DT A 4 20.430 18.841 25.679 1.00 0.00 H new ATOM 126 P DG A 5 15.292 21.703 25.367 1.00 0.00 P ATOM 127 OP1 DG A 5 14.580 20.407 25.262 1.00 0.00 O ATOM 128 OP2 DG A 5 14.831 22.836 24.531 1.00 0.00 O ATOM 129 O5' DG A 5 15.233 22.182 26.903 1.00 0.00 O ATOM 130 C5' DG A 5 14.080 21.960 27.712 1.00 0.00 C ATOM 131 C4' DG A 5 14.105 22.651 29.092 1.00 0.00 C ATOM 132 O4' DG A 5 15.303 22.304 29.777 1.00 0.00 O ATOM 133 C3' DG A 5 14.086 24.186 29.025 1.00 0.00 C ATOM 134 O3' DG A 5 13.654 24.794 30.238 1.00 0.00 O ATOM 135 C2' DG A 5 15.565 24.496 28.886 1.00 0.00 C ATOM 136 C1' DG A 5 16.144 23.450 29.844 1.00 0.00 C ATOM 137 N9 DG A 5 17.536 23.043 29.560 1.00 0.00 N ATOM 138 C8 DG A 5 18.214 22.945 28.367 1.00 0.00 C ATOM 139 N7 DG A 5 19.399 22.396 28.468 1.00 0.00 N ATOM 140 C5 DG A 5 19.524 22.138 29.841 1.00 0.00 C ATOM 141 C6 DG A 5 20.578 21.539 30.619 1.00 0.00 C ATOM 142 O6 DG A 5 21.647 21.057 30.246 1.00 0.00 O ATOM 143 N1 DG A 5 20.337 21.552 31.978 1.00 0.00 N ATOM 144 C2 DG A 5 19.238 22.104 32.537 1.00 0.00 C ATOM 145 N2 DG A 5 19.255 22.286 33.823 1.00 0.00 N ATOM 146 N3 DG A 5 18.202 22.587 31.865 1.00 0.00 N ATOM 147 C4 DG A 5 18.408 22.581 30.515 1.00 0.00 C ATOM 0 H5' DG A 5 13.962 20.887 27.862 1.00 0.00 H new ATOM 0 H5'' DG A 5 13.201 22.304 27.167 1.00 0.00 H new ATOM 0 H4' DG A 5 13.202 22.310 29.598 1.00 0.00 H new ATOM 0 H3' DG A 5 13.419 24.545 28.241 1.00 0.00 H new ATOM 0 H2' DG A 5 15.924 24.370 27.864 1.00 0.00 H new ATOM 0 H2'' DG A 5 15.808 25.516 29.185 1.00 0.00 H new ATOM 0 H1' DG A 5 16.175 23.906 30.834 1.00 0.00 H new ATOM 0 H8 DG A 5 17.805 23.291 27.429 1.00 0.00 H new ATOM 0 H1 DG A 5 21.026 21.121 32.594 1.00 0.00 H new ATOM 0 H21 DG A 5 18.448 22.700 34.290 1.00 0.00 H new ATOM 0 H22 DG A 5 20.075 22.015 34.366 1.00 0.00 H new ATOM 159 P DT A 6 12.130 25.221 30.489 1.00 0.00 P ATOM 160 OP1 DT A 6 11.311 23.993 30.646 1.00 0.00 O ATOM 161 OP2 DT A 6 11.750 26.210 29.451 1.00 0.00 O ATOM 162 O5' DT A 6 12.197 26.001 31.902 1.00 0.00 O ATOM 163 C5' DT A 6 12.481 25.342 33.133 1.00 0.00 C ATOM 164 C4' DT A 6 13.771 25.834 33.813 1.00 0.00 C ATOM 165 O4' DT A 6 14.942 25.388 33.152 1.00 0.00 O ATOM 166 C3' DT A 6 13.935 27.356 33.919 1.00 0.00 C ATOM 167 O3' DT A 6 13.264 27.907 35.047 1.00 0.00 O ATOM 168 C2' DT A 6 15.454 27.501 34.031 1.00 0.00 C ATOM 169 C1' DT A 6 16.013 26.120 33.719 1.00 0.00 C ATOM 170 N1 DT A 6 17.199 26.115 32.833 1.00 0.00 N ATOM 171 C2 DT A 6 18.403 25.600 33.335 1.00 0.00 C ATOM 172 O2 DT A 6 18.594 25.307 34.515 1.00 0.00 O ATOM 173 N3 DT A 6 19.421 25.428 32.430 1.00 0.00 N ATOM 174 C4 DT A 6 19.333 25.700 31.083 1.00 0.00 C ATOM 175 O4 DT A 6 20.234 25.319 30.347 1.00 0.00 O ATOM 176 C5 DT A 6 18.134 26.428 30.672 1.00 0.00 C ATOM 177 C7 DT A 6 18.026 26.994 29.266 1.00 0.00 C ATOM 178 C6 DT A 6 17.107 26.596 31.544 1.00 0.00 C ATOM 0 H5' DT A 6 12.562 24.270 32.951 1.00 0.00 H new ATOM 0 H5'' DT A 6 11.643 25.487 33.815 1.00 0.00 H new ATOM 0 H4' DT A 6 13.658 25.409 34.810 1.00 0.00 H new ATOM 0 H3' DT A 6 13.497 27.894 33.078 1.00 0.00 H new ATOM 0 H2' DT A 6 15.831 28.246 33.330 1.00 0.00 H new ATOM 0 H2'' DT A 6 15.746 27.827 35.029 1.00 0.00 H new ATOM 0 H1' DT A 6 16.387 25.672 34.639 1.00 0.00 H new ATOM 0 H3 DT A 6 20.310 25.072 32.782 1.00 0.00 H new ATOM 0 H71 DT A 6 19.020 27.249 28.899 1.00 0.00 H new ATOM 0 H72 DT A 6 17.576 26.250 28.608 1.00 0.00 H new ATOM 0 H73 DT A 6 17.404 27.889 29.281 1.00 0.00 H new ATOM 0 H6 DT A 6 16.212 27.110 31.226 1.00 0.00 H new ATOM 191 P DA A 7 13.242 29.502 35.339 1.00 0.00 P ATOM 192 OP1 DA A 7 12.163 29.767 36.324 1.00 0.00 O ATOM 193 OP2 DA A 7 13.212 30.222 34.042 1.00 0.00 O ATOM 194 O5' DA A 7 14.661 29.811 36.048 1.00 0.00 O ATOM 195 C5' DA A 7 14.980 29.256 37.320 1.00 0.00 C ATOM 196 C4' DA A 7 16.454 29.437 37.724 1.00 0.00 C ATOM 197 O4' DA A 7 17.314 28.817 36.770 1.00 0.00 O ATOM 198 C3' DA A 7 16.892 30.904 37.875 1.00 0.00 C ATOM 199 O3' DA A 7 17.560 31.070 39.122 1.00 0.00 O ATOM 200 C2' DA A 7 17.787 31.088 36.652 1.00 0.00 C ATOM 201 C1' DA A 7 18.374 29.693 36.433 1.00 0.00 C ATOM 202 N9 DA A 7 18.752 29.462 35.019 1.00 0.00 N ATOM 203 C8 DA A 7 17.991 29.740 33.906 1.00 0.00 C ATOM 204 N7 DA A 7 18.550 29.427 32.769 1.00 0.00 N ATOM 205 C5 DA A 7 19.789 28.913 33.173 1.00 0.00 C ATOM 206 C6 DA A 7 20.905 28.392 32.480 1.00 0.00 C ATOM 207 N6 DA A 7 20.961 28.290 31.171 1.00 0.00 N ATOM 208 N1 DA A 7 21.978 27.929 33.120 1.00 0.00 N ATOM 209 C2 DA A 7 21.965 27.996 34.444 1.00 0.00 C ATOM 210 N3 DA A 7 21.006 28.461 35.243 1.00 0.00 N ATOM 211 C4 DA A 7 19.925 28.912 34.536 1.00 0.00 C ATOM 0 H5' DA A 7 14.743 28.192 37.312 1.00 0.00 H new ATOM 0 H5'' DA A 7 14.346 29.718 38.077 1.00 0.00 H new ATOM 0 H4' DA A 7 16.536 28.965 38.703 1.00 0.00 H new ATOM 0 H3' DA A 7 16.094 31.646 37.900 1.00 0.00 H new ATOM 0 H2' DA A 7 17.219 31.426 35.785 1.00 0.00 H new ATOM 0 H2'' DA A 7 18.566 31.829 36.831 1.00 0.00 H new ATOM 0 H1' DA A 7 19.279 29.551 37.024 1.00 0.00 H new ATOM 0 H8 DA A 7 17.008 30.183 33.969 1.00 0.00 H new ATOM 0 H61 DA A 7 21.794 27.906 30.725 1.00 0.00 H new ATOM 0 H62 DA A 7 20.172 28.595 30.601 1.00 0.00 H new ATOM 0 H2 DA A 7 22.849 27.624 34.941 1.00 0.00 H new ATOM 223 P DC A 8 18.187 32.478 39.611 1.00 0.00 P ATOM 224 OP1 DC A 8 18.132 32.513 41.094 1.00 0.00 O ATOM 225 OP2 DC A 8 17.563 33.586 38.846 1.00 0.00 O ATOM 226 O5' DC A 8 19.726 32.351 39.160 1.00 0.00 O ATOM 227 C5' DC A 8 20.539 31.313 39.696 1.00 0.00 C ATOM 228 C4' DC A 8 21.946 31.255 39.097 1.00 0.00 C ATOM 229 O4' DC A 8 21.860 30.984 37.703 1.00 0.00 O ATOM 230 C3' DC A 8 22.763 32.538 39.297 1.00 0.00 C ATOM 231 O3' DC A 8 24.033 32.209 39.853 1.00 0.00 O ATOM 232 C2' DC A 8 22.835 33.082 37.872 1.00 0.00 C ATOM 233 C1' DC A 8 22.757 31.823 37.005 1.00 0.00 C ATOM 234 N1 DC A 8 22.203 32.006 35.630 1.00 0.00 N ATOM 235 C2 DC A 8 22.865 31.445 34.524 1.00 0.00 C ATOM 236 O2 DC A 8 23.985 30.936 34.611 1.00 0.00 O ATOM 237 N3 DC A 8 22.289 31.439 33.295 1.00 0.00 N ATOM 238 C4 DC A 8 21.086 31.959 33.168 1.00 0.00 C ATOM 239 N4 DC A 8 20.561 31.909 31.980 1.00 0.00 N ATOM 240 C5 DC A 8 20.362 32.543 34.241 1.00 0.00 C ATOM 241 C6 DC A 8 20.956 32.555 35.460 1.00 0.00 C ATOM 0 H5' DC A 8 20.045 30.356 39.531 1.00 0.00 H new ATOM 0 H5'' DC A 8 20.619 31.448 40.775 1.00 0.00 H new ATOM 0 H4' DC A 8 22.467 30.459 39.630 1.00 0.00 H new ATOM 0 H3' DC A 8 22.346 33.269 39.989 1.00 0.00 H new ATOM 0 H2' DC A 8 22.013 33.766 37.661 1.00 0.00 H new ATOM 0 H2'' DC A 8 23.760 33.632 37.699 1.00 0.00 H new ATOM 0 H1' DC A 8 23.770 31.450 36.856 1.00 0.00 H new ATOM 0 H41 DC A 8 19.631 32.295 31.817 1.00 0.00 H new ATOM 0 H42 DC A 8 21.079 31.484 31.211 1.00 0.00 H new ATOM 0 H5 DC A 8 19.377 32.961 34.092 1.00 0.00 H new ATOM 0 H6 DC A 8 20.445 32.999 36.302 1.00 0.00 H new ATOM 253 P DA A 9 24.991 33.310 40.551 1.00 0.00 P ATOM 254 OP1 DA A 9 25.927 32.597 41.457 1.00 0.00 O ATOM 255 OP2 DA A 9 24.154 34.401 41.110 1.00 0.00 O ATOM 256 O5' DA A 9 25.832 33.905 39.315 1.00 0.00 O ATOM 257 C5' DA A 9 26.805 33.100 38.666 1.00 0.00 C ATOM 258 C4' DA A 9 27.142 33.572 37.247 1.00 0.00 C ATOM 259 O4' DA A 9 25.987 33.504 36.410 1.00 0.00 O ATOM 260 C3' DA A 9 27.706 34.998 37.158 1.00 0.00 C ATOM 261 O3' DA A 9 28.912 34.969 36.401 1.00 0.00 O ATOM 262 C2' DA A 9 26.551 35.735 36.480 1.00 0.00 C ATOM 263 C1' DA A 9 25.976 34.647 35.577 1.00 0.00 C ATOM 264 N9 DA A 9 24.594 34.936 35.118 1.00 0.00 N ATOM 265 C8 DA A 9 23.556 35.503 35.823 1.00 0.00 C ATOM 266 N7 DA A 9 22.444 35.634 35.148 1.00 0.00 N ATOM 267 C5 DA A 9 22.792 35.139 33.883 1.00 0.00 C ATOM 268 C6 DA A 9 22.114 35.003 32.647 1.00 0.00 C ATOM 269 N6 DA A 9 20.861 35.348 32.417 1.00 0.00 N ATOM 270 N1 DA A 9 22.717 34.475 31.587 1.00 0.00 N ATOM 271 C2 DA A 9 23.967 34.061 31.724 1.00 0.00 C ATOM 272 N3 DA A 9 24.736 34.120 32.804 1.00 0.00 N ATOM 273 C4 DA A 9 24.087 34.689 33.861 1.00 0.00 C ATOM 0 H5' DA A 9 26.444 32.072 38.622 1.00 0.00 H new ATOM 0 H5'' DA A 9 27.716 33.093 39.264 1.00 0.00 H new ATOM 0 H4' DA A 9 27.926 32.893 36.913 1.00 0.00 H new ATOM 0 H3' DA A 9 27.988 35.475 38.096 1.00 0.00 H new ATOM 0 H2' DA A 9 25.818 36.098 37.201 1.00 0.00 H new ATOM 0 H2'' DA A 9 26.895 36.599 35.912 1.00 0.00 H new ATOM 0 H1' DA A 9 26.552 34.542 34.658 1.00 0.00 H new ATOM 0 H8 DA A 9 23.653 35.815 36.852 1.00 0.00 H new ATOM 0 H61 DA A 9 20.456 35.212 31.491 1.00 0.00 H new ATOM 0 H62 DA A 9 20.297 35.751 33.166 1.00 0.00 H new ATOM 0 H2 DA A 9 24.417 33.620 30.847 1.00 0.00 H new ATOM 285 P DT A 10 29.767 36.293 36.063 1.00 0.00 P ATOM 286 OP1 DT A 10 31.189 35.892 35.906 1.00 0.00 O ATOM 287 OP2 DT A 10 29.428 37.356 37.042 1.00 0.00 O ATOM 288 O5' DT A 10 29.179 36.714 34.624 1.00 0.00 O ATOM 289 C5' DT A 10 29.507 35.955 33.468 1.00 0.00 C ATOM 290 C4' DT A 10 28.835 36.452 32.183 1.00 0.00 C ATOM 291 O4' DT A 10 27.432 36.258 32.188 1.00 0.00 O ATOM 292 C3' DT A 10 29.003 37.951 31.946 1.00 0.00 C ATOM 293 O3' DT A 10 30.315 38.272 31.505 1.00 0.00 O ATOM 294 C2' DT A 10 27.945 38.162 30.867 1.00 0.00 C ATOM 295 C1' DT A 10 26.896 37.086 31.167 1.00 0.00 C ATOM 296 N1 DT A 10 25.574 37.635 31.575 1.00 0.00 N ATOM 297 C2 DT A 10 24.606 37.778 30.578 1.00 0.00 C ATOM 298 O2 DT A 10 24.842 37.637 29.380 1.00 0.00 O ATOM 299 N3 DT A 10 23.336 38.101 30.989 1.00 0.00 N ATOM 300 C4 DT A 10 22.949 38.363 32.281 1.00 0.00 C ATOM 301 O4 DT A 10 21.756 38.573 32.502 1.00 0.00 O ATOM 302 C5 DT A 10 24.043 38.352 33.257 1.00 0.00 C ATOM 303 C7 DT A 10 23.785 38.731 34.705 1.00 0.00 C ATOM 304 C6 DT A 10 25.298 37.977 32.884 1.00 0.00 C ATOM 0 H5' DT A 10 29.223 34.916 33.636 1.00 0.00 H new ATOM 0 H5'' DT A 10 30.588 35.972 33.330 1.00 0.00 H new ATOM 0 H4' DT A 10 29.333 35.866 31.410 1.00 0.00 H new ATOM 0 H3' DT A 10 28.881 38.582 32.827 1.00 0.00 H new ATOM 0 H2' DT A 10 27.517 39.163 30.917 1.00 0.00 H new ATOM 0 H2'' DT A 10 28.364 38.044 29.868 1.00 0.00 H new ATOM 0 H1' DT A 10 26.697 36.527 30.253 1.00 0.00 H new ATOM 0 H3 DT A 10 22.615 38.151 30.270 1.00 0.00 H new ATOM 0 H71 DT A 10 24.478 38.193 35.351 1.00 0.00 H new ATOM 0 H72 DT A 10 23.930 39.804 34.832 1.00 0.00 H new ATOM 0 H73 DT A 10 22.762 38.469 34.973 1.00 0.00 H new ATOM 0 H6 DT A 10 26.087 37.947 33.621 1.00 0.00 H new ATOM 317 P DC A 11 30.978 39.714 31.792 1.00 0.00 P ATOM 318 OP1 DC A 11 32.404 39.650 31.386 1.00 0.00 O ATOM 319 OP2 DC A 11 30.647 40.139 33.176 1.00 0.00 O ATOM 320 O5' DC A 11 30.199 40.686 30.777 1.00 0.00 O ATOM 321 C5' DC A 11 30.394 40.590 29.371 1.00 0.00 C ATOM 322 C4' DC A 11 29.363 41.411 28.588 1.00 0.00 C ATOM 323 O4' DC A 11 28.050 40.926 28.877 1.00 0.00 O ATOM 324 C3' DC A 11 29.397 42.912 28.930 1.00 0.00 C ATOM 325 O3' DC A 11 29.260 43.716 27.772 1.00 0.00 O ATOM 326 C2' DC A 11 28.162 43.065 29.801 1.00 0.00 C ATOM 327 C1' DC A 11 27.221 42.039 29.157 1.00 0.00 C ATOM 328 N1 DC A 11 26.056 41.669 30.014 1.00 0.00 N ATOM 329 C2 DC A 11 24.783 41.593 29.430 1.00 0.00 C ATOM 330 O2 DC A 11 24.607 41.545 28.211 1.00 0.00 O ATOM 331 N3 DC A 11 23.671 41.571 30.201 1.00 0.00 N ATOM 332 C4 DC A 11 23.815 41.567 31.508 1.00 0.00 C ATOM 333 N4 DC A 11 22.714 41.602 32.197 1.00 0.00 N ATOM 334 C5 DC A 11 25.072 41.476 32.159 1.00 0.00 C ATOM 335 C6 DC A 11 26.179 41.517 31.377 1.00 0.00 C ATOM 0 H5' DC A 11 30.331 39.545 29.067 1.00 0.00 H new ATOM 0 H5'' DC A 11 31.397 40.935 29.120 1.00 0.00 H new ATOM 0 H4' DC A 11 29.616 41.298 27.534 1.00 0.00 H new ATOM 0 H3' DC A 11 30.332 43.220 29.398 1.00 0.00 H new ATOM 0 H2' DC A 11 28.365 42.838 30.848 1.00 0.00 H new ATOM 0 H2'' DC A 11 27.756 44.076 29.767 1.00 0.00 H new ATOM 0 H1' DC A 11 26.751 42.449 28.263 1.00 0.00 H new ATOM 0 H41 DC A 11 22.750 41.601 33.216 1.00 0.00 H new ATOM 0 H42 DC A 11 21.814 41.630 31.718 1.00 0.00 H new ATOM 0 H5 DC A 11 25.144 41.378 33.232 1.00 0.00 H new ATOM 0 H6 DC A 11 27.158 41.430 31.824 1.00 0.00 H new ATOM 347 P DG A 12 30.544 44.324 27.023 1.00 0.00 P ATOM 348 OP1 DG A 12 31.661 43.348 27.094 1.00 0.00 O ATOM 349 OP2 DG A 12 30.756 45.706 27.515 1.00 0.00 O ATOM 350 O5' DG A 12 30.029 44.403 25.501 1.00 0.00 O ATOM 351 C5' DG A 12 29.740 43.226 24.751 1.00 0.00 C ATOM 352 C4' DG A 12 28.302 43.205 24.204 1.00 0.00 C ATOM 353 O4' DG A 12 27.351 43.078 25.265 1.00 0.00 O ATOM 354 C3' DG A 12 27.939 44.477 23.414 1.00 0.00 C ATOM 355 O3' DG A 12 27.174 44.167 22.250 1.00 0.00 O ATOM 356 C2' DG A 12 27.083 45.233 24.426 1.00 0.00 C ATOM 357 C1' DG A 12 26.347 44.065 25.076 1.00 0.00 C ATOM 358 N9 DG A 12 25.683 44.425 26.349 1.00 0.00 N ATOM 359 C8 DG A 12 26.227 44.990 27.478 1.00 0.00 C ATOM 360 N7 DG A 12 25.377 45.158 28.460 1.00 0.00 N ATOM 361 C5 DG A 12 24.163 44.700 27.925 1.00 0.00 C ATOM 362 C6 DG A 12 22.835 44.625 28.484 1.00 0.00 C ATOM 363 O6 DG A 12 22.440 44.931 29.609 1.00 0.00 O ATOM 364 N1 DG A 12 21.890 44.151 27.596 1.00 0.00 N ATOM 365 C2 DG A 12 22.170 43.772 26.327 1.00 0.00 C ATOM 366 N2 DG A 12 21.167 43.396 25.580 1.00 0.00 N ATOM 367 N3 DG A 12 23.378 43.804 25.770 1.00 0.00 N ATOM 368 C4 DG A 12 24.341 44.276 26.623 1.00 0.00 C ATOM 0 H5' DG A 12 29.897 42.351 25.382 1.00 0.00 H new ATOM 0 H5'' DG A 12 30.441 43.149 23.920 1.00 0.00 H new ATOM 0 H4' DG A 12 28.263 42.346 23.535 1.00 0.00 H new ATOM 0 H3' DG A 12 28.807 45.028 23.051 1.00 0.00 H new ATOM 0 H2' DG A 12 27.683 45.797 25.140 1.00 0.00 H new ATOM 0 H2'' DG A 12 26.404 45.941 23.951 1.00 0.00 H new ATOM 0 HO3' DG A 12 26.958 44.994 21.771 1.00 0.00 H new ATOM 0 H1' DG A 12 25.527 43.717 24.448 1.00 0.00 H new ATOM 0 H8 DG A 12 27.267 45.271 27.549 1.00 0.00 H new ATOM 0 H1 DG A 12 20.924 44.082 27.915 1.00 0.00 H new ATOM 0 H21 DG A 12 21.330 43.102 24.617 1.00 0.00 H new ATOM 0 H22 DG A 12 20.220 43.396 25.960 1.00 0.00 H new TER 381 DG A 12 HETATM 382 N1 DCZ B 13 16.820 44.405 27.978 1.00 0.00 N HETATM 383 C2 DCZ B 13 18.157 44.126 27.660 1.00 0.00 C HETATM 384 N3 DCZ B 13 19.131 44.232 28.597 1.00 0.00 N HETATM 385 C4 DCZ B 13 18.782 44.560 29.825 1.00 0.00 C HETATM 386 C5 DCZ B 13 17.441 44.798 30.227 1.00 0.00 C HETATM 387 C6 DCZ B 13 16.479 44.708 29.274 1.00 0.00 C HETATM 388 O2 DCZ B 13 18.508 43.793 26.528 1.00 0.00 O HETATM 389 N4 DCZ B 13 19.758 44.722 30.672 1.00 0.00 N HETATM 390 C1' DCZ B 13 15.795 44.426 26.894 1.00 0.00 C HETATM 391 C2' DCZ B 13 14.970 43.141 26.849 1.00 0.00 C HETATM 392 C3' DCZ B 13 13.673 43.635 26.211 1.00 0.00 C HETATM 393 C4' DCZ B 13 13.544 45.043 26.812 1.00 0.00 C HETATM 394 O4' DCZ B 13 14.867 45.489 27.103 1.00 0.00 O HETATM 395 O3' DCZ B 13 13.792 43.734 24.794 1.00 0.00 O HETATM 396 C5' DCZ B 13 12.635 45.130 28.059 1.00 0.00 C HETATM 397 O5' DCZ B 13 12.991 44.265 29.139 1.00 0.00 O HETATM 0 HO51 DCZ B 13 12.363 44.392 29.880 1.00 0.00 H new HETATM 0 HN42 DCZ B 13 19.557 44.976 31.639 1.00 0.00 H new HETATM 0 HN41 DCZ B 13 20.723 44.594 30.368 1.00 0.00 H new HETATM 0 H5'2 DCZ B 13 12.642 46.158 28.422 1.00 0.00 H new HETATM 0 H5'1 DCZ B 13 11.612 44.905 27.758 1.00 0.00 H new HETATM 0 H2'2 DCZ B 13 15.451 42.365 26.253 1.00 0.00 H new HETATM 0 H2'1 DCZ B 13 14.806 42.724 27.843 1.00 0.00 H new HETATM 0 H6 DCZ B 13 15.435 44.876 29.537 1.00 0.00 H new HETATM 0 H5 DCZ B 13 17.194 45.043 31.260 1.00 0.00 H new HETATM 0 H4' DCZ B 13 13.047 45.685 26.085 1.00 0.00 H new HETATM 0 H3' DCZ B 13 12.826 42.974 26.396 1.00 0.00 H new HETATM 0 H1' DCZ B 13 16.350 44.547 25.964 1.00 0.00 H new ATOM 410 P DG B 14 13.204 42.596 23.820 1.00 0.00 P ATOM 411 OP1 DG B 14 13.317 43.086 22.424 1.00 0.00 O ATOM 412 OP2 DG B 14 11.873 42.178 24.326 1.00 0.00 O ATOM 413 O5' DG B 14 14.235 41.382 24.046 1.00 0.00 O ATOM 414 C5' DG B 14 15.390 41.209 23.231 1.00 0.00 C ATOM 415 C4' DG B 14 16.310 40.089 23.743 1.00 0.00 C ATOM 416 O4' DG B 14 17.137 40.556 24.808 1.00 0.00 O ATOM 417 C3' DG B 14 15.542 38.853 24.256 1.00 0.00 C ATOM 418 O3' DG B 14 16.035 37.640 23.711 1.00 0.00 O ATOM 419 C2' DG B 14 15.827 38.929 25.751 1.00 0.00 C ATOM 420 C1' DG B 14 17.245 39.507 25.754 1.00 0.00 C ATOM 421 N9 DG B 14 17.702 40.006 27.078 1.00 0.00 N ATOM 422 C8 DG B 14 16.950 40.308 28.191 1.00 0.00 C ATOM 423 N7 DG B 14 17.639 40.743 29.211 1.00 0.00 N ATOM 424 C5 DG B 14 18.960 40.715 28.748 1.00 0.00 C ATOM 425 C6 DG B 14 20.195 41.061 29.400 1.00 0.00 C ATOM 426 O6 DG B 14 20.382 41.465 30.549 1.00 0.00 O ATOM 427 N1 DG B 14 21.305 40.904 28.598 1.00 0.00 N ATOM 428 C2 DG B 14 21.258 40.430 27.331 1.00 0.00 C ATOM 429 N2 DG B 14 22.403 40.322 26.711 1.00 0.00 N ATOM 430 N3 DG B 14 20.142 40.075 26.690 1.00 0.00 N ATOM 431 C4 DG B 14 19.013 40.253 27.448 1.00 0.00 C ATOM 0 H5' DG B 14 15.948 42.145 23.194 1.00 0.00 H new ATOM 0 H5'' DG B 14 15.080 40.982 22.211 1.00 0.00 H new ATOM 0 H4' DG B 14 16.908 39.794 22.880 1.00 0.00 H new ATOM 0 H3' DG B 14 14.486 38.857 23.986 1.00 0.00 H new ATOM 0 H2' DG B 14 15.119 39.573 26.273 1.00 0.00 H new ATOM 0 H2'' DG B 14 15.780 37.951 26.229 1.00 0.00 H new ATOM 0 H1' DG B 14 17.995 38.753 25.516 1.00 0.00 H new ATOM 0 H8 DG B 14 15.876 40.194 28.218 1.00 0.00 H new ATOM 0 H1 DG B 14 22.215 41.160 28.982 1.00 0.00 H new ATOM 0 H21 DG B 14 22.434 39.971 25.754 1.00 0.00 H new ATOM 0 H22 DG B 14 23.266 40.589 27.184 1.00 0.00 H new ATOM 443 P DA B 15 15.396 37.039 22.361 1.00 0.00 P ATOM 444 OP1 DA B 15 15.275 38.131 21.362 1.00 0.00 O ATOM 445 OP2 DA B 15 14.177 36.283 22.738 1.00 0.00 O ATOM 446 O5' DA B 15 16.480 35.977 21.813 1.00 0.00 O ATOM 447 C5' DA B 15 17.754 36.379 21.316 1.00 0.00 C ATOM 448 C4' DA B 15 18.907 36.038 22.274 1.00 0.00 C ATOM 449 O4' DA B 15 18.810 36.736 23.505 1.00 0.00 O ATOM 450 C3' DA B 15 18.969 34.550 22.640 1.00 0.00 C ATOM 451 O3' DA B 15 19.733 33.824 21.683 1.00 0.00 O ATOM 452 C2' DA B 15 19.597 34.583 24.035 1.00 0.00 C ATOM 453 C1' DA B 15 19.643 36.058 24.421 1.00 0.00 C ATOM 454 N9 DA B 15 19.213 36.283 25.816 1.00 0.00 N ATOM 455 C8 DA B 15 17.957 36.211 26.370 1.00 0.00 C ATOM 456 N7 DA B 15 17.912 36.530 27.641 1.00 0.00 N ATOM 457 C5 DA B 15 19.261 36.795 27.948 1.00 0.00 C ATOM 458 C6 DA B 15 19.983 37.196 29.101 1.00 0.00 C ATOM 459 N6 DA B 15 19.471 37.465 30.288 1.00 0.00 N ATOM 460 N1 DA B 15 21.304 37.361 29.064 1.00 0.00 N ATOM 461 C2 DA B 15 21.933 37.127 27.919 1.00 0.00 C ATOM 462 N3 DA B 15 21.406 36.751 26.765 1.00 0.00 N ATOM 463 C4 DA B 15 20.054 36.615 26.846 1.00 0.00 C ATOM 0 H5' DA B 15 17.745 37.454 21.135 1.00 0.00 H new ATOM 0 H5'' DA B 15 17.932 35.896 20.355 1.00 0.00 H new ATOM 0 H4' DA B 15 19.799 36.332 21.720 1.00 0.00 H new ATOM 0 H3' DA B 15 18.006 34.038 22.639 1.00 0.00 H new ATOM 0 H2' DA B 15 19.004 34.008 24.747 1.00 0.00 H new ATOM 0 H2'' DA B 15 20.596 34.147 24.027 1.00 0.00 H new ATOM 0 H1' DA B 15 20.665 36.433 24.373 1.00 0.00 H new ATOM 0 H8 DA B 15 17.083 35.917 25.807 1.00 0.00 H new ATOM 0 H61 DA B 15 20.082 37.747 31.055 1.00 0.00 H new ATOM 0 H62 DA B 15 18.465 37.391 30.438 1.00 0.00 H new ATOM 0 H2 DA B 15 23.005 37.260 27.931 1.00 0.00 H new ATOM 475 P DT B 16 20.004 32.236 21.802 1.00 0.00 P ATOM 476 OP1 DT B 16 20.392 31.739 20.458 1.00 0.00 O ATOM 477 OP2 DT B 16 18.856 31.602 22.497 1.00 0.00 O ATOM 478 O5' DT B 16 21.292 32.158 22.771 1.00 0.00 O ATOM 479 C5' DT B 16 22.549 32.687 22.358 1.00 0.00 C ATOM 480 C4' DT B 16 23.565 32.781 23.505 1.00 0.00 C ATOM 481 O4' DT B 16 23.114 33.662 24.523 1.00 0.00 O ATOM 482 C3' DT B 16 23.854 31.436 24.175 1.00 0.00 C ATOM 483 O3' DT B 16 24.856 30.760 23.422 1.00 0.00 O ATOM 484 C2' DT B 16 24.351 31.905 25.541 1.00 0.00 C ATOM 485 C1' DT B 16 23.657 33.255 25.769 1.00 0.00 C ATOM 486 N1 DT B 16 22.569 33.228 26.792 1.00 0.00 N ATOM 487 C2 DT B 16 22.831 33.823 28.032 1.00 0.00 C ATOM 488 O2 DT B 16 23.933 34.252 28.369 1.00 0.00 O ATOM 489 N3 DT B 16 21.780 33.932 28.909 1.00 0.00 N ATOM 490 C4 DT B 16 20.495 33.508 28.684 1.00 0.00 C ATOM 491 O4 DT B 16 19.648 33.732 29.549 1.00 0.00 O ATOM 492 C5 DT B 16 20.290 32.840 27.396 1.00 0.00 C ATOM 493 C7 DT B 16 18.917 32.300 27.037 1.00 0.00 C ATOM 494 C6 DT B 16 21.317 32.714 26.508 1.00 0.00 C ATOM 0 H5' DT B 16 22.397 33.679 21.932 1.00 0.00 H new ATOM 0 H5'' DT B 16 22.959 32.059 21.567 1.00 0.00 H new ATOM 0 H4' DT B 16 24.477 33.150 23.035 1.00 0.00 H new ATOM 0 H3' DT B 16 23.024 30.733 24.246 1.00 0.00 H new ATOM 0 H2' DT B 16 24.093 31.190 26.323 1.00 0.00 H new ATOM 0 H2'' DT B 16 25.436 32.011 25.552 1.00 0.00 H new ATOM 0 H1' DT B 16 24.404 33.947 26.157 1.00 0.00 H new ATOM 0 H3 DT B 16 21.973 34.368 29.811 1.00 0.00 H new ATOM 0 H71 DT B 16 18.392 32.006 27.946 1.00 0.00 H new ATOM 0 H72 DT B 16 18.346 33.072 26.522 1.00 0.00 H new ATOM 0 H73 DT B 16 19.026 31.433 26.385 1.00 0.00 H new ATOM 0 H6 DT B 16 21.150 32.206 25.570 1.00 0.00 H new ATOM 507 P DG B 17 24.939 29.155 23.286 1.00 0.00 P ATOM 508 OP1 DG B 17 25.697 28.851 22.046 1.00 0.00 O ATOM 509 OP2 DG B 17 23.584 28.574 23.448 1.00 0.00 O ATOM 510 O5' DG B 17 25.828 28.683 24.542 1.00 0.00 O ATOM 511 C5' DG B 17 27.182 29.081 24.685 1.00 0.00 C ATOM 512 C4' DG B 17 27.938 28.361 25.815 1.00 0.00 C ATOM 513 O4' DG B 17 27.468 28.721 27.108 1.00 0.00 O ATOM 514 C3' DG B 17 27.902 26.829 25.766 1.00 0.00 C ATOM 515 O3' DG B 17 29.191 26.376 26.178 1.00 0.00 O ATOM 516 C2' DG B 17 26.705 26.532 26.682 1.00 0.00 C ATOM 517 C1' DG B 17 26.609 27.725 27.641 1.00 0.00 C ATOM 518 N9 DG B 17 25.244 28.302 27.840 1.00 0.00 N ATOM 519 C8 DG B 17 24.157 28.339 26.992 1.00 0.00 C ATOM 520 N7 DG B 17 23.138 29.029 27.433 1.00 0.00 N ATOM 521 C5 DG B 17 23.557 29.455 28.697 1.00 0.00 C ATOM 522 C6 DG B 17 22.898 30.244 29.708 1.00 0.00 C ATOM 523 O6 DG B 17 21.814 30.823 29.664 1.00 0.00 O ATOM 524 N1 DG B 17 23.603 30.331 30.891 1.00 0.00 N ATOM 525 C2 DG B 17 24.817 29.768 31.075 1.00 0.00 C ATOM 526 N2 DG B 17 25.342 29.858 32.262 1.00 0.00 N ATOM 527 N3 DG B 17 25.511 29.129 30.138 1.00 0.00 N ATOM 528 C4 DG B 17 24.823 28.980 28.967 1.00 0.00 C ATOM 0 H5' DG B 17 27.215 30.155 24.868 1.00 0.00 H new ATOM 0 H5'' DG B 17 27.702 28.902 23.744 1.00 0.00 H new ATOM 0 H4' DG B 17 28.960 28.697 25.642 1.00 0.00 H new ATOM 0 H3' DG B 17 27.749 26.322 24.814 1.00 0.00 H new ATOM 0 H2' DG B 17 25.788 26.420 26.104 1.00 0.00 H new ATOM 0 H2'' DG B 17 26.852 25.601 27.229 1.00 0.00 H new ATOM 0 H1' DG B 17 26.889 27.371 28.633 1.00 0.00 H new ATOM 0 H8 DG B 17 24.148 27.836 26.036 1.00 0.00 H new ATOM 0 H1 DG B 17 23.186 30.847 31.666 1.00 0.00 H new ATOM 0 H21 DG B 17 26.257 29.448 32.447 1.00 0.00 H new ATOM 0 H22 DG B 17 24.838 30.339 33.007 1.00 0.00 H new ATOM 540 P DT B 18 29.544 24.881 26.673 1.00 0.00 P ATOM 541 OP1 DT B 18 30.973 24.626 26.359 1.00 0.00 O ATOM 542 OP2 DT B 18 28.521 23.929 26.174 1.00 0.00 O ATOM 543 O5' DT B 18 29.393 25.029 28.269 1.00 0.00 O ATOM 544 C5' DT B 18 30.221 25.949 28.977 1.00 0.00 C ATOM 545 C4' DT B 18 29.917 26.023 30.477 1.00 0.00 C ATOM 546 O4' DT B 18 28.585 26.473 30.657 1.00 0.00 O ATOM 547 C3' DT B 18 30.082 24.686 31.213 1.00 0.00 C ATOM 548 O3' DT B 18 30.884 24.865 32.376 1.00 0.00 O ATOM 549 C2' DT B 18 28.640 24.300 31.531 1.00 0.00 C ATOM 550 C1' DT B 18 27.926 25.652 31.600 1.00 0.00 C ATOM 551 N1 DT B 18 26.482 25.658 31.230 1.00 0.00 N ATOM 552 C2 DT B 18 25.591 26.371 32.047 1.00 0.00 C ATOM 553 O2 DT B 18 25.859 26.781 33.173 1.00 0.00 O ATOM 554 N3 DT B 18 24.332 26.602 31.544 1.00 0.00 N ATOM 555 C4 DT B 18 23.897 26.211 30.301 1.00 0.00 C ATOM 556 O4 DT B 18 22.818 26.627 29.900 1.00 0.00 O ATOM 557 C5 DT B 18 24.800 25.322 29.575 1.00 0.00 C ATOM 558 C7 DT B 18 24.340 24.656 28.290 1.00 0.00 C ATOM 559 C6 DT B 18 26.054 25.094 30.042 1.00 0.00 C ATOM 0 H5' DT B 18 30.101 26.941 28.542 1.00 0.00 H new ATOM 0 H5'' DT B 18 31.264 25.665 28.840 1.00 0.00 H new ATOM 0 H4' DT B 18 30.644 26.713 30.904 1.00 0.00 H new ATOM 0 H3' DT B 18 30.593 23.910 30.643 1.00 0.00 H new ATOM 0 H2' DT B 18 28.215 23.659 30.759 1.00 0.00 H new ATOM 0 H2'' DT B 18 28.566 23.757 32.473 1.00 0.00 H new ATOM 0 H1' DT B 18 27.965 25.975 32.640 1.00 0.00 H new ATOM 0 H3 DT B 18 23.671 27.102 32.139 1.00 0.00 H new ATOM 0 H71 DT B 18 25.197 24.496 27.636 1.00 0.00 H new ATOM 0 H72 DT B 18 23.877 23.697 28.523 1.00 0.00 H new ATOM 0 H73 DT B 18 23.615 25.296 27.788 1.00 0.00 H new ATOM 0 H6 DT B 18 26.726 24.464 29.478 1.00 0.00 H new ATOM 572 P DA B 19 31.606 23.625 33.126 1.00 0.00 P ATOM 573 OP1 DA B 19 32.775 24.160 33.868 1.00 0.00 O ATOM 574 OP2 DA B 19 31.827 22.529 32.150 1.00 0.00 O ATOM 575 O5' DA B 19 30.502 23.130 34.190 1.00 0.00 O ATOM 576 C5' DA B 19 30.256 23.883 35.370 1.00 0.00 C ATOM 577 C4' DA B 19 28.899 23.583 36.015 1.00 0.00 C ATOM 578 O4' DA B 19 27.843 23.920 35.127 1.00 0.00 O ATOM 579 C3' DA B 19 28.674 22.140 36.490 1.00 0.00 C ATOM 580 O3' DA B 19 28.615 22.133 37.916 1.00 0.00 O ATOM 581 C2' DA B 19 27.352 21.779 35.806 1.00 0.00 C ATOM 582 C1' DA B 19 26.725 23.129 35.467 1.00 0.00 C ATOM 583 N9 DA B 19 25.828 23.086 34.292 1.00 0.00 N ATOM 584 C8 DA B 19 26.123 22.583 33.048 1.00 0.00 C ATOM 585 N7 DA B 19 25.195 22.767 32.152 1.00 0.00 N ATOM 586 C5 DA B 19 24.190 23.416 32.883 1.00 0.00 C ATOM 587 C6 DA B 19 22.908 23.910 32.562 1.00 0.00 C ATOM 588 N6 DA B 19 22.389 23.841 31.356 1.00 0.00 N ATOM 589 N1 DA B 19 22.147 24.531 33.460 1.00 0.00 N ATOM 590 C2 DA B 19 22.635 24.651 34.687 1.00 0.00 C ATOM 591 N3 DA B 19 23.815 24.240 35.151 1.00 0.00 N ATOM 592 C4 DA B 19 24.559 23.623 34.185 1.00 0.00 C ATOM 0 H5' DA B 19 30.309 24.945 35.131 1.00 0.00 H new ATOM 0 H5'' DA B 19 31.046 23.679 36.093 1.00 0.00 H new ATOM 0 H4' DA B 19 28.904 24.200 36.913 1.00 0.00 H new ATOM 0 H3' DA B 19 29.454 21.421 36.240 1.00 0.00 H new ATOM 0 H2' DA B 19 27.518 21.181 34.910 1.00 0.00 H new ATOM 0 H2'' DA B 19 26.709 21.195 36.465 1.00 0.00 H new ATOM 0 H1' DA B 19 26.117 23.489 36.297 1.00 0.00 H new ATOM 0 H8 DA B 19 27.051 22.075 32.830 1.00 0.00 H new ATOM 0 H61 DA B 19 21.456 24.215 31.180 1.00 0.00 H new ATOM 0 H62 DA B 19 22.919 23.414 30.596 1.00 0.00 H new ATOM 0 H2 DA B 19 21.994 25.145 35.402 1.00 0.00 H new ATOM 604 P DC B 20 28.375 20.796 38.793 1.00 0.00 P ATOM 605 OP1 DC B 20 28.951 21.027 40.141 1.00 0.00 O ATOM 606 OP2 DC B 20 28.827 19.616 38.015 1.00 0.00 O ATOM 607 O5' DC B 20 26.771 20.730 38.933 1.00 0.00 O ATOM 608 C5' DC B 20 26.059 21.782 39.574 1.00 0.00 C ATOM 609 C4' DC B 20 24.546 21.733 39.323 1.00 0.00 C ATOM 610 O4' DC B 20 24.281 21.820 37.922 1.00 0.00 O ATOM 611 C3' DC B 20 23.857 20.468 39.857 1.00 0.00 C ATOM 612 O3' DC B 20 22.710 20.823 40.630 1.00 0.00 O ATOM 613 C2' DC B 20 23.496 19.744 38.562 1.00 0.00 C ATOM 614 C1' DC B 20 23.245 20.909 37.607 1.00 0.00 C ATOM 615 N1 DC B 20 23.307 20.575 36.153 1.00 0.00 N ATOM 616 C2 DC B 20 22.287 21.016 35.297 1.00 0.00 C ATOM 617 O2 DC B 20 21.265 21.562 35.716 1.00 0.00 O ATOM 618 N3 DC B 20 22.386 20.853 33.952 1.00 0.00 N ATOM 619 C4 DC B 20 23.467 20.273 33.470 1.00 0.00 C ATOM 620 N4 DC B 20 23.535 20.142 32.178 1.00 0.00 N ATOM 621 C5 DC B 20 24.522 19.783 34.284 1.00 0.00 C ATOM 622 C6 DC B 20 24.405 19.944 35.624 1.00 0.00 C ATOM 0 H5' DC B 20 26.447 22.739 39.225 1.00 0.00 H new ATOM 0 H5'' DC B 20 26.244 21.735 40.647 1.00 0.00 H new ATOM 0 H4' DC B 20 24.137 22.583 39.869 1.00 0.00 H new ATOM 0 H3' DC B 20 24.462 19.856 40.526 1.00 0.00 H new ATOM 0 H2' DC B 20 24.304 19.099 38.216 1.00 0.00 H new ATOM 0 H2'' DC B 20 22.614 19.115 38.679 1.00 0.00 H new ATOM 0 H1' DC B 20 22.229 21.280 37.743 1.00 0.00 H new ATOM 0 H41 DC B 20 24.350 19.700 31.752 1.00 0.00 H new ATOM 0 H42 DC B 20 22.773 20.481 31.590 1.00 0.00 H new ATOM 0 H5 DC B 20 25.386 19.300 33.851 1.00 0.00 H new ATOM 0 H6 DC B 20 25.180 19.574 36.279 1.00 0.00 H new ATOM 634 P DA B 21 22.044 19.818 41.710 1.00 0.00 P ATOM 635 OP1 DA B 21 21.275 20.636 42.684 1.00 0.00 O ATOM 636 OP2 DA B 21 23.091 18.903 42.230 1.00 0.00 O ATOM 637 O5' DA B 21 21.000 18.941 40.843 1.00 0.00 O ATOM 638 C5' DA B 21 19.755 19.499 40.441 1.00 0.00 C ATOM 639 C4' DA B 21 19.156 18.840 39.195 1.00 0.00 C ATOM 640 O4' DA B 21 20.062 18.898 38.107 1.00 0.00 O ATOM 641 C3' DA B 21 18.700 17.381 39.328 1.00 0.00 C ATOM 642 O3' DA B 21 17.280 17.370 39.451 1.00 0.00 O ATOM 643 C2' DA B 21 19.220 16.744 38.031 1.00 0.00 C ATOM 644 C1' DA B 21 19.638 17.933 37.174 1.00 0.00 C ATOM 645 N9 DA B 21 20.743 17.632 36.239 1.00 0.00 N ATOM 646 C8 DA B 21 21.995 17.139 36.518 1.00 0.00 C ATOM 647 N7 DA B 21 22.744 16.936 35.463 1.00 0.00 N ATOM 648 C5 DA B 21 21.912 17.349 34.408 1.00 0.00 C ATOM 649 C6 DA B 21 22.033 17.417 32.998 1.00 0.00 C ATOM 650 N6 DA B 21 23.088 17.053 32.293 1.00 0.00 N ATOM 651 N1 DA B 21 21.041 17.890 32.245 1.00 0.00 N ATOM 652 C2 DA B 21 19.939 18.304 32.845 1.00 0.00 C ATOM 653 N3 DA B 21 19.670 18.300 34.142 1.00 0.00 N ATOM 654 C4 DA B 21 20.706 17.801 34.876 1.00 0.00 C ATOM 0 H5' DA B 21 19.890 20.563 40.248 1.00 0.00 H new ATOM 0 H5'' DA B 21 19.045 19.411 41.264 1.00 0.00 H new ATOM 0 H4' DA B 21 18.254 19.430 39.032 1.00 0.00 H new ATOM 0 H3' DA B 21 19.071 16.838 40.197 1.00 0.00 H new ATOM 0 H2' DA B 21 20.060 16.077 38.224 1.00 0.00 H new ATOM 0 H2'' DA B 21 18.448 16.151 37.541 1.00 0.00 H new ATOM 0 H1' DA B 21 18.810 18.252 36.540 1.00 0.00 H new ATOM 0 H8 DA B 21 22.333 16.936 37.523 1.00 0.00 H new ATOM 0 H61 DA B 21 23.077 17.141 31.277 1.00 0.00 H new ATOM 0 H62 DA B 21 23.914 16.684 32.764 1.00 0.00 H new ATOM 0 H2 DA B 21 19.164 18.692 32.200 1.00 0.00 H new ATOM 666 P DT B 22 16.414 16.031 39.694 1.00 0.00 P ATOM 667 OP1 DT B 22 15.142 16.432 40.345 1.00 0.00 O ATOM 668 OP2 DT B 22 17.269 15.016 40.361 1.00 0.00 O ATOM 669 O5' DT B 22 16.083 15.519 38.201 1.00 0.00 O ATOM 670 C5' DT B 22 15.230 16.282 37.357 1.00 0.00 C ATOM 671 C4' DT B 22 15.208 15.818 35.898 1.00 0.00 C ATOM 672 O4' DT B 22 16.462 16.083 35.295 1.00 0.00 O ATOM 673 C3' DT B 22 14.953 14.322 35.697 1.00 0.00 C ATOM 674 O3' DT B 22 13.565 14.006 35.652 1.00 0.00 O ATOM 675 C2' DT B 22 15.619 14.102 34.340 1.00 0.00 C ATOM 676 C1' DT B 22 16.538 15.301 34.123 1.00 0.00 C ATOM 677 N1 DT B 22 17.948 14.922 33.858 1.00 0.00 N ATOM 678 C2 DT B 22 18.435 15.075 32.556 1.00 0.00 C ATOM 679 O2 DT B 22 17.745 15.431 31.601 1.00 0.00 O ATOM 680 N3 DT B 22 19.764 14.800 32.363 1.00 0.00 N ATOM 681 C4 DT B 22 20.655 14.383 33.322 1.00 0.00 C ATOM 682 O4 DT B 22 21.828 14.217 32.992 1.00 0.00 O ATOM 683 C5 DT B 22 20.069 14.181 34.651 1.00 0.00 C ATOM 684 C7 DT B 22 20.903 13.653 35.804 1.00 0.00 C ATOM 685 C6 DT B 22 18.752 14.437 34.869 1.00 0.00 C ATOM 0 H5' DT B 22 15.545 17.325 37.390 1.00 0.00 H new ATOM 0 H5'' DT B 22 14.216 16.242 37.754 1.00 0.00 H new ATOM 0 H4' DT B 22 14.380 16.368 35.451 1.00 0.00 H new ATOM 0 H3' DT B 22 15.334 13.696 36.504 1.00 0.00 H new ATOM 0 H2' DT B 22 16.184 13.170 34.329 1.00 0.00 H new ATOM 0 H2'' DT B 22 14.875 14.032 33.547 1.00 0.00 H new ATOM 0 H1' DT B 22 16.210 15.844 33.237 1.00 0.00 H new ATOM 0 H3 DT B 22 20.126 14.916 31.417 1.00 0.00 H new ATOM 0 H71 DT B 22 20.519 14.051 36.743 1.00 0.00 H new ATOM 0 H72 DT B 22 20.850 12.564 35.823 1.00 0.00 H new ATOM 0 H73 DT B 22 21.940 13.964 35.675 1.00 0.00 H new ATOM 0 H6 DT B 22 18.329 14.258 35.847 1.00 0.00 H new ATOM 698 P DC B 23 13.032 12.481 35.709 1.00 0.00 P ATOM 699 OP1 DC B 23 11.550 12.524 35.796 1.00 0.00 O ATOM 700 OP2 DC B 23 13.785 11.753 36.760 1.00 0.00 O ATOM 701 O5' DC B 23 13.438 11.854 34.277 1.00 0.00 O ATOM 702 C5' DC B 23 12.810 12.292 33.076 1.00 0.00 C ATOM 703 C4' DC B 23 13.527 11.801 31.807 1.00 0.00 C ATOM 704 O4' DC B 23 14.889 12.226 31.766 1.00 0.00 O ATOM 705 C3' DC B 23 13.509 10.272 31.641 1.00 0.00 C ATOM 706 O3' DC B 23 12.841 9.950 30.425 1.00 0.00 O ATOM 707 C2' DC B 23 14.996 9.921 31.644 1.00 0.00 C ATOM 708 C1' DC B 23 15.653 11.208 31.146 1.00 0.00 C ATOM 709 N1 DC B 23 17.095 11.307 31.523 1.00 0.00 N ATOM 710 C2 DC B 23 18.065 11.443 30.518 1.00 0.00 C ATOM 711 O2 DC B 23 17.775 11.577 29.328 1.00 0.00 O ATOM 712 N3 DC B 23 19.384 11.423 30.821 1.00 0.00 N ATOM 713 C4 DC B 23 19.735 11.289 32.081 1.00 0.00 C ATOM 714 N4 DC B 23 21.014 11.261 32.308 1.00 0.00 N ATOM 715 C5 DC B 23 18.810 11.202 33.154 1.00 0.00 C ATOM 716 C6 DC B 23 17.491 11.208 32.837 1.00 0.00 C ATOM 0 H5' DC B 23 12.775 13.381 33.068 1.00 0.00 H new ATOM 0 H5'' DC B 23 11.779 11.940 33.063 1.00 0.00 H new ATOM 0 H4' DC B 23 12.962 12.249 30.990 1.00 0.00 H new ATOM 0 H3' DC B 23 12.975 9.715 32.411 1.00 0.00 H new ATOM 0 H2' DC B 23 15.345 9.649 32.640 1.00 0.00 H new ATOM 0 H2'' DC B 23 15.213 9.077 30.989 1.00 0.00 H new ATOM 0 H1' DC B 23 15.657 11.269 30.058 1.00 0.00 H new ATOM 0 H41 DC B 23 21.361 11.159 33.262 1.00 0.00 H new ATOM 0 H42 DC B 23 21.671 11.341 31.532 1.00 0.00 H new ATOM 0 H5 DC B 23 19.142 11.134 34.179 1.00 0.00 H new ATOM 0 H6 DC B 23 16.749 11.135 33.619 1.00 0.00 H new ATOM 728 P DG B 24 12.561 8.433 29.952 1.00 0.00 P ATOM 729 OP1 DG B 24 11.379 8.443 29.054 1.00 0.00 O ATOM 730 OP2 DG B 24 12.554 7.542 31.138 1.00 0.00 O ATOM 731 O5' DG B 24 13.868 8.098 29.074 1.00 0.00 O ATOM 732 C5' DG B 24 14.136 8.802 27.866 1.00 0.00 C ATOM 733 C4' DG B 24 15.490 8.432 27.248 1.00 0.00 C ATOM 734 O4' DG B 24 16.560 8.873 28.084 1.00 0.00 O ATOM 735 C3' DG B 24 15.668 6.914 27.035 1.00 0.00 C ATOM 736 O3' DG B 24 16.243 6.629 25.761 1.00 0.00 O ATOM 737 C2' DG B 24 16.651 6.562 28.148 1.00 0.00 C ATOM 738 C1' DG B 24 17.508 7.824 28.143 1.00 0.00 C ATOM 739 N9 DG B 24 18.403 7.933 29.317 1.00 0.00 N ATOM 740 C8 DG B 24 18.097 7.908 30.655 1.00 0.00 C ATOM 741 N7 DG B 24 19.137 7.978 31.446 1.00 0.00 N ATOM 742 C5 DG B 24 20.224 8.032 30.559 1.00 0.00 C ATOM 743 C6 DG B 24 21.650 8.085 30.778 1.00 0.00 C ATOM 744 O6 DG B 24 22.277 8.120 31.840 1.00 0.00 O ATOM 745 N1 DG B 24 22.387 8.071 29.610 1.00 0.00 N ATOM 746 C2 DG B 24 21.836 8.008 28.374 1.00 0.00 C ATOM 747 N2 DG B 24 22.646 7.939 27.356 1.00 0.00 N ATOM 748 N3 DG B 24 20.535 7.972 28.118 1.00 0.00 N ATOM 749 C4 DG B 24 19.776 7.989 29.255 1.00 0.00 C ATOM 0 H5' DG B 24 14.113 9.874 28.063 1.00 0.00 H new ATOM 0 H5'' DG B 24 13.344 8.593 27.146 1.00 0.00 H new ATOM 0 H4' DG B 24 15.511 8.927 26.277 1.00 0.00 H new ATOM 0 H3' DG B 24 14.731 6.358 27.061 1.00 0.00 H new ATOM 0 H2' DG B 24 16.157 6.396 29.105 1.00 0.00 H new ATOM 0 H2'' DG B 24 17.228 5.664 27.927 1.00 0.00 H new ATOM 0 HO3' DG B 24 16.344 5.660 25.657 1.00 0.00 H new ATOM 0 H1' DG B 24 18.205 7.838 27.305 1.00 0.00 H new ATOM 0 H8 DG B 24 17.084 7.837 31.023 1.00 0.00 H new ATOM 0 H1 DG B 24 23.404 8.110 29.682 1.00 0.00 H new ATOM 0 H21 DG B 24 22.271 7.890 26.409 1.00 0.00 H new ATOM 0 H22 DG B 24 23.655 7.934 27.506 1.00 0.00 H new TER 762 DG B 24 HETATM 763 O81 9U2 A 100 15.471 25.285 38.452 1.00 0.00 O HETATM 764 C81 9U2 A 100 16.094 24.853 37.494 1.00 0.00 C HETATM 765 C82 9U2 A 100 15.539 23.886 36.482 1.00 0.00 C HETATM 766 C84 9U2 A 100 14.242 23.366 36.467 1.00 0.00 C HETATM 767 C85 9U2 A 100 13.078 23.636 37.417 1.00 0.00 C HETATM 768 S81 9U2 A 100 13.965 22.364 35.060 1.00 0.00 S HETATM 769 C83 9U2 A 100 15.619 22.649 34.598 1.00 0.00 C HETATM 770 N81 9U2 A 100 16.306 23.434 35.409 1.00 0.00 N HETATM 771 CM8 9U2 A 100 12.524 25.079 37.329 1.00 0.00 C HETATM 772 CM9 9U2 A 100 13.263 23.142 38.876 1.00 0.00 C HETATM 781 N PYB A 101 17.403 25.268 37.245 1.00 0.00 N HETATM 782 CA PYB A 101 18.196 26.082 38.056 1.00 0.00 C HETATM 783 CB1 PYB A 101 19.499 26.551 37.740 1.00 0.00 C HETATM 784 CB PYB A 101 17.870 26.519 39.311 1.00 0.00 C HETATM 785 CG1 PYB A 101 19.966 27.240 38.838 1.00 0.00 C HETATM 786 NG2 PYB A 101 18.937 27.259 39.789 1.00 0.00 N HETATM 787 CD PYB A 101 18.898 27.944 41.090 1.00 0.00 C HETATM 788 C PYB A 101 21.310 27.808 39.151 1.00 0.00 C HETATM 789 O PYB A 101 21.609 28.154 40.287 1.00 0.00 O HETATM 0 HD3 PYB A 101 18.083 28.667 41.096 1.00 0.00 H new HETATM 0 HD2 PYB A 101 18.740 27.212 41.882 1.00 0.00 H new HETATM 0 HD1 PYB A 101 19.843 28.461 41.257 1.00 0.00 H new HETATM 0 HB1 PYB A 101 20.031 26.395 36.802 1.00 0.00 H new HETATM 0 HB PYB A 101 16.938 26.320 39.839 1.00 0.00 H new HETATM 0 H PYB A 101 17.751 24.959 36.337 1.00 0.00 H new HETATM 796 N PYB A 102 22.208 27.935 38.099 1.00 0.00 N HETATM 797 CA PYB A 102 23.541 28.340 38.225 1.00 0.00 C HETATM 798 CB1 PYB A 102 24.348 28.891 37.198 1.00 0.00 C HETATM 799 CB PYB A 102 24.286 28.304 39.376 1.00 0.00 C HETATM 800 CG1 PYB A 102 25.567 29.223 37.749 1.00 0.00 C HETATM 801 NG2 PYB A 102 25.541 28.822 39.088 1.00 0.00 N HETATM 802 CD PYB A 102 26.611 28.921 40.090 1.00 0.00 C HETATM 803 C PYB A 102 26.769 29.871 37.145 1.00 0.00 C HETATM 804 O PYB A 102 27.840 29.998 37.725 1.00 0.00 O HETATM 0 HD3 PYB A 102 26.280 29.553 40.914 1.00 0.00 H new HETATM 0 HD2 PYB A 102 26.849 27.927 40.468 1.00 0.00 H new HETATM 0 HD1 PYB A 102 27.499 29.357 39.632 1.00 0.00 H new HETATM 0 HB1 PYB A 102 24.056 29.028 36.157 1.00 0.00 H new HETATM 0 HB PYB A 102 23.952 27.934 40.345 1.00 0.00 H new HETATM 0 H PYB A 102 21.730 28.026 37.203 1.00 0.00 H new HETATM 811 N PYB A 103 26.575 30.383 35.875 1.00 0.00 N HETATM 812 CA PYB A 103 27.511 31.035 35.079 1.00 0.00 C HETATM 813 CB1 PYB A 103 27.160 31.780 33.938 1.00 0.00 C HETATM 814 CB PYB A 103 28.873 31.094 35.239 1.00 0.00 C HETATM 815 CG1 PYB A 103 28.318 32.238 33.363 1.00 0.00 C HETATM 816 NG2 PYB A 103 29.380 31.852 34.184 1.00 0.00 N HETATM 817 CD PYB A 103 30.803 32.167 34.006 1.00 0.00 C HETATM 818 C PYB A 103 28.496 32.925 32.060 1.00 0.00 C HETATM 819 O PYB A 103 29.561 33.237 31.552 1.00 0.00 O HETATM 0 HD3 PYB A 103 31.164 32.723 34.871 1.00 0.00 H new HETATM 0 HD2 PYB A 103 31.371 31.242 33.907 1.00 0.00 H new HETATM 0 HD1 PYB A 103 30.932 32.770 33.107 1.00 0.00 H new HETATM 0 HB1 PYB A 103 26.148 31.961 33.576 1.00 0.00 H new HETATM 0 HB PYB A 103 29.450 30.634 36.041 1.00 0.00 H new HETATM 0 H PYB A 103 25.583 30.433 35.641 1.00 0.00 H new HETATM 826 N ABU A 104 27.301 33.155 31.426 1.00 0.00 N HETATM 827 CA ABU A 104 27.145 33.621 30.047 1.00 0.00 C HETATM 828 CB ABU A 104 26.688 32.479 29.119 1.00 0.00 C HETATM 829 CG ABU A 104 27.833 31.654 28.488 1.00 0.00 C HETATM 830 CD ABU A 104 28.788 30.901 29.427 1.00 0.00 C HETATM 831 OE1 ABU A 104 29.993 30.992 29.251 1.00 0.00 O HETATM 0 H ABU A 104 26.406 33.010 31.893 1.00 0.00 H new HETATM 0 HB1 ABU A 104 26.044 31.806 29.685 1.00 0.00 H new HETATM 0 HB2 ABU A 104 26.081 32.902 28.319 1.00 0.00 H new HETATM 0 HG1 ABU A 104 27.412 30.875 27.852 1.00 0.00 H new HETATM 0 HG2 ABU A 104 28.466 32.309 27.889 1.00 0.00 H new HETATM 0 HE2 ABU A 104 28.429 31.196 29.277 1.00 0.00 H new HETATM 839 N IMT A 105 28.229 30.139 30.435 1.00 0.00 N HETATM 840 CA IMT A 105 28.860 29.507 31.486 1.00 0.00 C HETATM 841 NB1 IMT A 105 28.222 28.873 32.527 1.00 0.00 N HETATM 842 CB IMT A 105 30.218 29.469 31.659 1.00 0.00 C HETATM 843 CG1 IMT A 105 29.199 28.469 33.347 1.00 0.00 C HETATM 844 NG2 IMT A 105 30.451 28.799 32.835 1.00 0.00 N HETATM 845 CD IMT A 105 31.793 28.504 33.364 1.00 0.00 C HETATM 846 C IMT A 105 29.102 27.788 34.694 1.00 0.00 C HETATM 847 O IMT A 105 30.069 27.591 35.423 1.00 0.00 O HETATM 0 HN2 IMT A 105 27.210 30.160 30.390 1.00 0.00 H new HETATM 0 HD3 IMT A 105 32.340 27.891 32.647 1.00 0.00 H new HETATM 0 HD2 IMT A 105 32.332 29.437 33.530 1.00 0.00 H new HETATM 0 HD1 IMT A 105 31.702 27.965 34.307 1.00 0.00 H new HETATM 0 HB IMT A 105 30.970 29.890 30.991 1.00 0.00 H new HETATM 853 N PYB A 106 27.830 27.379 35.085 1.00 0.00 N HETATM 854 CA PYB A 106 27.468 26.787 36.295 1.00 0.00 C HETATM 855 CB1 PYB A 106 26.185 26.255 36.587 1.00 0.00 C HETATM 856 CB PYB A 106 28.258 26.644 37.408 1.00 0.00 C HETATM 857 CG1 PYB A 106 26.209 25.791 37.884 1.00 0.00 C HETATM 858 NG2 PYB A 106 27.508 25.978 38.371 1.00 0.00 N HETATM 859 CD PYB A 106 28.083 25.501 39.638 1.00 0.00 C HETATM 860 C PYB A 106 25.113 25.270 38.749 1.00 0.00 C HETATM 861 O PYB A 106 25.245 25.107 39.955 1.00 0.00 O HETATM 0 HD3 PYB A 106 28.883 24.790 39.430 1.00 0.00 H new HETATM 0 HD2 PYB A 106 28.485 26.346 40.196 1.00 0.00 H new HETATM 0 HD1 PYB A 106 27.308 25.012 40.228 1.00 0.00 H new HETATM 0 HB1 PYB A 106 25.334 26.220 35.907 1.00 0.00 H new HETATM 0 HB PYB A 106 29.286 26.990 37.517 1.00 0.00 H new HETATM 0 H PYB A 106 27.149 27.453 34.330 1.00 0.00 H new HETATM 868 N PYB A 107 23.924 24.970 38.104 1.00 0.00 N HETATM 869 CA PYB A 107 22.726 24.612 38.720 1.00 0.00 C HETATM 870 CB1 PYB A 107 21.663 23.913 38.099 1.00 0.00 C HETATM 871 CB PYB A 107 22.383 24.854 40.025 1.00 0.00 C HETATM 872 CG1 PYB A 107 20.689 23.700 39.048 1.00 0.00 C HETATM 873 NG2 PYB A 107 21.114 24.326 40.227 1.00 0.00 N HETATM 874 CD PYB A 107 20.400 24.433 41.508 1.00 0.00 C HETATM 875 C PYB A 107 19.397 22.962 38.963 1.00 0.00 C HETATM 876 O PYB A 107 18.583 22.931 39.877 1.00 0.00 O HETATM 0 HD3 PYB A 107 20.983 23.948 42.291 1.00 0.00 H new HETATM 0 HD2 PYB A 107 20.259 25.484 41.759 1.00 0.00 H new HETATM 0 HD1 PYB A 107 19.428 23.946 41.425 1.00 0.00 H new HETATM 0 HB1 PYB A 107 21.623 23.600 37.056 1.00 0.00 H new HETATM 0 HB PYB A 107 22.994 25.367 40.768 1.00 0.00 H new HETATM 0 H PYB A 107 24.088 24.727 37.127 1.00 0.00 H new HETATM 883 N PYB A 108 19.187 22.265 37.782 1.00 0.00 N HETATM 884 CA PYB A 108 18.069 21.501 37.447 1.00 0.00 C HETATM 885 CB1 PYB A 108 17.969 20.703 36.284 1.00 0.00 C HETATM 886 CB PYB A 108 16.896 21.380 38.153 1.00 0.00 C HETATM 887 CG1 PYB A 108 16.712 20.145 36.258 1.00 0.00 C HETATM 888 NG2 PYB A 108 16.078 20.500 37.452 1.00 0.00 N HETATM 889 CD PYB A 108 14.764 20.064 37.940 1.00 0.00 C HETATM 890 C PYB A 108 16.021 19.404 35.168 1.00 0.00 C HETATM 891 O PYB A 108 14.868 19.005 35.221 1.00 0.00 O HETATM 0 HD3 PYB A 108 14.881 19.557 38.898 1.00 0.00 H new HETATM 0 HD2 PYB A 108 14.116 20.932 38.065 1.00 0.00 H new HETATM 0 HD1 PYB A 108 14.317 19.379 37.219 1.00 0.00 H new HETATM 0 HB1 PYB A 108 18.751 20.556 35.539 1.00 0.00 H new HETATM 0 HB PYB A 108 16.652 21.881 39.090 1.00 0.00 H new HETATM 0 H PYB A 108 20.003 22.271 37.170 1.00 0.00 H new HETATM 898 C01 9T8 A 109 11.410 19.734 26.550 1.00 0.00 C HETATM 899 N02 9T8 A 109 15.575 18.268 29.717 1.00 0.00 N HETATM 900 C03 9T8 A 109 13.082 18.274 27.704 1.00 0.00 C HETATM 901 C05 9T8 A 109 14.965 17.113 29.033 1.00 0.00 C HETATM 902 C06 9T8 A 109 14.921 19.003 30.680 1.00 0.00 C HETATM 903 C07 9T8 A 109 15.803 19.654 31.738 1.00 0.00 C HETATM 904 C04 9T8 A 109 14.374 17.436 27.641 1.00 0.00 C HETATM 905 N01 9T8 A 109 12.625 18.828 26.355 1.00 0.00 N HETATM 906 C02 9T8 A 109 12.258 17.708 25.382 1.00 0.00 C HETATM 907 N03 9T8 A 109 16.770 19.254 34.022 1.00 0.00 N HETATM 908 C08 9T8 A 109 16.264 18.625 32.789 1.00 0.00 C HETATM 909 O01 9T8 A 109 13.703 19.043 30.732 1.00 0.00 O