USER MOD reduce.3.24.130724 H: found=0, std=0, add=321, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 346 hydrogens (96 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 102 PYB HN2 : A 102 PYB N : A 101 9TK C81 :(H bumps) USER MOD NoAdj-H: A 103 PYB HN2 : A 103 PYB N : A 102 PYB C :(H bumps) USER MOD NoAdj-H: A 104 PYB HN2 : A 104 PYB N : A 103 PYB C :(H bumps) USER MOD NoAdj-H: A 106 IMT H : A 106 IMT N : A 105 ABU CD :(H bumps) USER MOD NoAdj-H: A 107 PYB HN2 : A 107 PYB N : A 106 IMT C :(H bumps) USER MOD NoAdj-H: A 108 PYB HN2 : A 108 PYB N : A 107 PYB C :(H bumps) USER MOD NoAdj-H: A 109 PYB HN2 : A 109 PYB N : A 108 PYB C :(H bumps) USER MOD Single : A 1 DCZ O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.508 (180deg=-0.508) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.0054 (180deg=-0.0054) USER MOD Single : A 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 13 DCZ O5' : rot 180:sc= 0 USER MOD Single : B 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 18 DT C7 :methyl -30:sc= -1.08 (180deg=-2.54!) USER MOD Single : B 22 DT C7 :methyl 150:sc= -0.299 (180deg=-0.299) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 DCZ A 1 31.735 13.920 27.838 1.00 0.00 N HETATM 2 C2 DCZ A 1 32.693 13.200 28.582 1.00 0.00 C HETATM 3 N3 DCZ A 1 33.291 13.751 29.669 1.00 0.00 N HETATM 4 C4 DCZ A 1 32.935 14.965 30.031 1.00 0.00 C HETATM 5 C5 DCZ A 1 31.947 15.734 29.353 1.00 0.00 C HETATM 6 C6 DCZ A 1 31.369 15.187 28.254 1.00 0.00 C HETATM 7 O2 DCZ A 1 33.023 12.045 28.290 1.00 0.00 O HETATM 8 N4 DCZ A 1 33.560 15.443 31.072 1.00 0.00 N HETATM 9 C1' DCZ A 1 31.203 13.282 26.591 1.00 0.00 C HETATM 10 C2' DCZ A 1 29.968 13.915 25.940 1.00 0.00 C HETATM 11 C3' DCZ A 1 29.970 13.221 24.580 1.00 0.00 C HETATM 12 C4' DCZ A 1 31.476 13.036 24.321 1.00 0.00 C HETATM 13 O4' DCZ A 1 32.148 13.363 25.538 1.00 0.00 O HETATM 14 O3' DCZ A 1 29.289 11.974 24.671 1.00 0.00 O HETATM 15 C5' DCZ A 1 32.008 13.903 23.163 1.00 0.00 C HETATM 16 O5' DCZ A 1 31.821 15.301 23.379 1.00 0.00 O HETATM 0 HO51 DCZ A 1 32.178 15.801 22.615 1.00 0.00 H new HETATM 0 HN42 DCZ A 1 33.340 16.378 31.414 1.00 0.00 H new HETATM 0 HN41 DCZ A 1 34.269 14.881 31.544 1.00 0.00 H new HETATM 0 H5'2 DCZ A 1 33.070 13.702 23.025 1.00 0.00 H new HETATM 0 H5'1 DCZ A 1 31.506 13.614 22.240 1.00 0.00 H new HETATM 0 H2'2 DCZ A 1 29.057 13.716 26.504 1.00 0.00 H new HETATM 0 H2'1 DCZ A 1 30.058 14.998 25.851 1.00 0.00 H new HETATM 0 H6 DCZ A 1 30.616 15.746 27.699 1.00 0.00 H new HETATM 0 H5 DCZ A 1 31.665 16.727 29.704 1.00 0.00 H new HETATM 0 H4' DCZ A 1 31.660 12.006 24.017 1.00 0.00 H new HETATM 0 H3' DCZ A 1 29.465 13.769 23.784 1.00 0.00 H new HETATM 0 H1' DCZ A 1 30.963 12.286 26.964 1.00 0.00 H new ATOM 29 P DG A 2 27.841 11.777 23.993 1.00 0.00 P ATOM 30 OP1 DG A 2 27.372 10.408 24.318 1.00 0.00 O ATOM 31 OP2 DG A 2 27.924 12.194 22.572 1.00 0.00 O ATOM 32 O5' DG A 2 26.932 12.839 24.791 1.00 0.00 O ATOM 33 C5' DG A 2 25.518 12.870 24.644 1.00 0.00 C ATOM 34 C4' DG A 2 24.880 14.041 25.407 1.00 0.00 C ATOM 35 O4' DG A 2 25.114 13.918 26.809 1.00 0.00 O ATOM 36 C3' DG A 2 25.438 15.413 24.976 1.00 0.00 C ATOM 37 O3' DG A 2 24.414 16.380 24.803 1.00 0.00 O ATOM 38 C2' DG A 2 26.288 15.794 26.182 1.00 0.00 C ATOM 39 C1' DG A 2 25.434 15.207 27.303 1.00 0.00 C ATOM 40 N9 DG A 2 26.116 15.142 28.621 1.00 0.00 N ATOM 41 C8 DG A 2 27.422 15.423 28.955 1.00 0.00 C ATOM 42 N7 DG A 2 27.695 15.283 30.227 1.00 0.00 N ATOM 43 C5 DG A 2 26.468 14.889 30.786 1.00 0.00 C ATOM 44 C6 DG A 2 26.078 14.604 32.145 1.00 0.00 C ATOM 45 O6 DG A 2 26.754 14.627 33.174 1.00 0.00 O ATOM 46 N1 DG A 2 24.744 14.272 32.278 1.00 0.00 N ATOM 47 C2 DG A 2 23.873 14.222 31.243 1.00 0.00 C ATOM 48 N2 DG A 2 22.629 13.926 31.513 1.00 0.00 N ATOM 49 N3 DG A 2 24.183 14.477 29.977 1.00 0.00 N ATOM 50 C4 DG A 2 25.502 14.806 29.807 1.00 0.00 C ATOM 0 H5' DG A 2 25.096 11.931 25.004 1.00 0.00 H new ATOM 0 H5'' DG A 2 25.266 12.948 23.586 1.00 0.00 H new ATOM 0 H4' DG A 2 23.816 13.995 25.173 1.00 0.00 H new ATOM 0 H3' DG A 2 25.966 15.371 24.023 1.00 0.00 H new ATOM 0 H2' DG A 2 27.285 15.356 26.144 1.00 0.00 H new ATOM 0 H2'' DG A 2 26.417 16.872 26.277 1.00 0.00 H new ATOM 0 H1' DG A 2 24.566 15.830 27.517 1.00 0.00 H new ATOM 0 H8 DG A 2 28.159 15.733 28.229 1.00 0.00 H new ATOM 0 H1 DG A 2 24.395 14.052 33.211 1.00 0.00 H new ATOM 0 H21 DG A 2 21.941 13.878 30.761 1.00 0.00 H new ATOM 0 H22 DG A 2 22.346 13.743 32.476 1.00 0.00 H new ATOM 62 P DA A 3 23.655 16.535 23.395 1.00 0.00 P ATOM 63 OP1 DA A 3 23.216 15.194 22.934 1.00 0.00 O ATOM 64 OP2 DA A 3 24.513 17.352 22.502 1.00 0.00 O ATOM 65 O5' DA A 3 22.346 17.400 23.758 1.00 0.00 O ATOM 66 C5' DA A 3 21.292 16.881 24.568 1.00 0.00 C ATOM 67 C4' DA A 3 21.198 17.548 25.951 1.00 0.00 C ATOM 68 O4' DA A 3 22.272 17.203 26.820 1.00 0.00 O ATOM 69 C3' DA A 3 21.171 19.092 25.892 1.00 0.00 C ATOM 70 O3' DA A 3 19.895 19.750 25.904 1.00 0.00 O ATOM 71 C2' DA A 3 22.099 19.497 27.043 1.00 0.00 C ATOM 72 C1' DA A 3 22.276 18.194 27.829 1.00 0.00 C ATOM 73 N9 DA A 3 23.503 18.153 28.660 1.00 0.00 N ATOM 74 C8 DA A 3 24.801 18.418 28.298 1.00 0.00 C ATOM 75 N7 DA A 3 25.656 18.384 29.289 1.00 0.00 N ATOM 76 C5 DA A 3 24.844 18.093 30.397 1.00 0.00 C ATOM 77 C6 DA A 3 25.057 17.968 31.794 1.00 0.00 C ATOM 78 N6 DA A 3 26.214 18.120 32.407 1.00 0.00 N ATOM 79 N1 DA A 3 24.050 17.708 32.627 1.00 0.00 N ATOM 80 C2 DA A 3 22.841 17.542 32.110 1.00 0.00 C ATOM 81 N3 DA A 3 22.485 17.621 30.833 1.00 0.00 N ATOM 82 C4 DA A 3 23.539 17.919 30.019 1.00 0.00 C ATOM 0 H5' DA A 3 21.439 15.809 24.699 1.00 0.00 H new ATOM 0 H5'' DA A 3 20.344 17.011 24.045 1.00 0.00 H new ATOM 0 H4' DA A 3 20.254 17.165 26.338 1.00 0.00 H new ATOM 0 H3' DA A 3 21.499 19.433 24.910 1.00 0.00 H new ATOM 0 H2' DA A 3 23.052 19.878 26.676 1.00 0.00 H new ATOM 0 H2'' DA A 3 21.658 20.281 27.658 1.00 0.00 H new ATOM 0 H1' DA A 3 21.488 18.058 28.569 1.00 0.00 H new ATOM 0 H8 DA A 3 25.092 18.636 27.281 1.00 0.00 H new ATOM 0 H61 DA A 3 26.273 18.011 33.419 1.00 0.00 H new ATOM 0 H62 DA A 3 27.050 18.347 31.869 1.00 0.00 H new ATOM 0 H2 DA A 3 22.051 17.315 32.811 1.00 0.00 H new ATOM 94 P DT A 4 18.656 19.392 26.889 1.00 0.00 P ATOM 95 OP1 DT A 4 18.086 18.087 26.475 1.00 0.00 O ATOM 96 OP2 DT A 4 17.758 20.571 26.914 1.00 0.00 O ATOM 97 O5' DT A 4 19.360 19.196 28.328 1.00 0.00 O ATOM 98 C5' DT A 4 18.831 19.706 29.545 1.00 0.00 C ATOM 99 C4' DT A 4 19.717 20.786 30.192 1.00 0.00 C ATOM 100 O4' DT A 4 21.064 20.372 30.394 1.00 0.00 O ATOM 101 C3' DT A 4 19.896 22.070 29.380 1.00 0.00 C ATOM 102 O3' DT A 4 18.753 22.913 29.422 1.00 0.00 O ATOM 103 C2' DT A 4 21.088 22.696 30.113 1.00 0.00 C ATOM 104 C1' DT A 4 21.751 21.524 30.845 1.00 0.00 C ATOM 105 N1 DT A 4 23.238 21.461 30.709 1.00 0.00 N ATOM 106 C2 DT A 4 23.988 21.389 31.890 1.00 0.00 C ATOM 107 O2 DT A 4 23.494 21.343 33.012 1.00 0.00 O ATOM 108 N3 DT A 4 25.354 21.387 31.775 1.00 0.00 N ATOM 109 C4 DT A 4 26.061 21.448 30.598 1.00 0.00 C ATOM 110 O4 DT A 4 27.290 21.380 30.650 1.00 0.00 O ATOM 111 C5 DT A 4 25.233 21.580 29.397 1.00 0.00 C ATOM 112 C7 DT A 4 25.890 21.725 28.034 1.00 0.00 C ATOM 113 C6 DT A 4 23.872 21.575 29.486 1.00 0.00 C ATOM 0 H5' DT A 4 18.701 18.884 30.249 1.00 0.00 H new ATOM 0 H5'' DT A 4 17.842 20.123 29.356 1.00 0.00 H new ATOM 0 H4' DT A 4 19.162 20.960 31.114 1.00 0.00 H new ATOM 0 H3' DT A 4 20.044 21.903 28.313 1.00 0.00 H new ATOM 0 H2' DT A 4 21.779 23.169 29.415 1.00 0.00 H new ATOM 0 H2'' DT A 4 20.763 23.467 30.812 1.00 0.00 H new ATOM 0 H1' DT A 4 21.657 21.635 31.925 1.00 0.00 H new ATOM 0 H3 DT A 4 25.893 21.336 32.639 1.00 0.00 H new ATOM 0 H71 DT A 4 25.243 21.293 27.271 1.00 0.00 H new ATOM 0 H72 DT A 4 26.050 22.781 27.818 1.00 0.00 H new ATOM 0 H73 DT A 4 26.848 21.205 28.035 1.00 0.00 H new ATOM 0 H6 DT A 4 23.280 21.661 28.587 1.00 0.00 H new ATOM 126 P DG A 5 18.645 24.222 28.484 1.00 0.00 P ATOM 127 OP1 DG A 5 17.278 24.784 28.625 1.00 0.00 O ATOM 128 OP2 DG A 5 19.155 23.910 27.125 1.00 0.00 O ATOM 129 O5' DG A 5 19.690 25.235 29.168 1.00 0.00 O ATOM 130 C5' DG A 5 19.416 25.880 30.405 1.00 0.00 C ATOM 131 C4' DG A 5 20.612 26.709 30.898 1.00 0.00 C ATOM 132 O4' DG A 5 21.715 25.902 31.287 1.00 0.00 O ATOM 133 C3' DG A 5 21.209 27.628 29.823 1.00 0.00 C ATOM 134 O3' DG A 5 20.508 28.824 29.459 1.00 0.00 O ATOM 135 C2' DG A 5 22.621 27.878 30.345 1.00 0.00 C ATOM 136 C1' DG A 5 22.842 26.760 31.371 1.00 0.00 C ATOM 137 N9 DG A 5 24.104 25.996 31.195 1.00 0.00 N ATOM 138 C8 DG A 5 24.583 25.318 30.100 1.00 0.00 C ATOM 139 N7 DG A 5 25.744 24.741 30.293 1.00 0.00 N ATOM 140 C5 DG A 5 26.071 25.071 31.619 1.00 0.00 C ATOM 141 C6 DG A 5 27.213 24.769 32.460 1.00 0.00 C ATOM 142 O6 DG A 5 28.222 24.106 32.217 1.00 0.00 O ATOM 143 N1 DG A 5 27.134 25.323 33.724 1.00 0.00 N ATOM 144 C2 DG A 5 26.096 26.077 34.145 1.00 0.00 C ATOM 145 N2 DG A 5 26.151 26.577 35.343 1.00 0.00 N ATOM 146 N3 DG A 5 25.031 26.372 33.416 1.00 0.00 N ATOM 147 C4 DG A 5 25.069 25.843 32.162 1.00 0.00 C ATOM 0 H5' DG A 5 19.159 25.132 31.155 1.00 0.00 H new ATOM 0 H5'' DG A 5 18.547 26.529 30.291 1.00 0.00 H new ATOM 0 H4' DG A 5 20.183 27.273 31.726 1.00 0.00 H new ATOM 0 H3' DG A 5 21.151 27.136 28.852 1.00 0.00 H new ATOM 0 H2' DG A 5 23.357 27.834 29.542 1.00 0.00 H new ATOM 0 H2'' DG A 5 22.708 28.863 30.803 1.00 0.00 H new ATOM 0 H1' DG A 5 22.946 27.214 32.357 1.00 0.00 H new ATOM 0 H8 DG A 5 24.050 25.265 29.162 1.00 0.00 H new ATOM 0 H1 DG A 5 27.902 25.153 34.374 1.00 0.00 H new ATOM 0 H21 DG A 5 25.383 27.151 35.692 1.00 0.00 H new ATOM 0 H22 DG A 5 26.962 26.395 35.935 1.00 0.00 H new ATOM 159 P DT A 6 19.685 29.793 30.472 1.00 0.00 P ATOM 160 OP1 DT A 6 18.550 29.025 31.041 1.00 0.00 O ATOM 161 OP2 DT A 6 19.379 31.031 29.716 1.00 0.00 O ATOM 162 O5' DT A 6 20.700 30.199 31.661 1.00 0.00 O ATOM 163 C5' DT A 6 20.450 29.881 33.028 1.00 0.00 C ATOM 164 C4' DT A 6 21.594 30.349 33.936 1.00 0.00 C ATOM 165 O4' DT A 6 22.802 29.721 33.547 1.00 0.00 O ATOM 166 C3' DT A 6 21.844 31.866 33.913 1.00 0.00 C ATOM 167 O3' DT A 6 21.442 32.431 35.158 1.00 0.00 O ATOM 168 C2' DT A 6 23.351 31.965 33.640 1.00 0.00 C ATOM 169 C1' DT A 6 23.874 30.560 33.926 1.00 0.00 C ATOM 170 N1 DT A 6 25.081 30.131 33.166 1.00 0.00 N ATOM 171 C2 DT A 6 26.191 29.657 33.881 1.00 0.00 C ATOM 172 O2 DT A 6 26.383 29.869 35.078 1.00 0.00 O ATOM 173 N3 DT A 6 27.119 28.931 33.171 1.00 0.00 N ATOM 174 C4 DT A 6 27.043 28.636 31.830 1.00 0.00 C ATOM 175 O4 DT A 6 27.853 27.847 31.351 1.00 0.00 O ATOM 176 C5 DT A 6 25.971 29.321 31.110 1.00 0.00 C ATOM 177 C7 DT A 6 25.877 29.219 29.597 1.00 0.00 C ATOM 178 C6 DT A 6 25.039 30.038 31.789 1.00 0.00 C ATOM 0 H5' DT A 6 20.319 28.804 33.133 1.00 0.00 H new ATOM 0 H5'' DT A 6 19.518 30.348 33.346 1.00 0.00 H new ATOM 0 H4' DT A 6 21.285 30.077 34.945 1.00 0.00 H new ATOM 0 H3' DT A 6 21.278 32.420 33.164 1.00 0.00 H new ATOM 0 H2' DT A 6 23.551 32.263 32.611 1.00 0.00 H new ATOM 0 H2'' DT A 6 23.825 32.706 34.284 1.00 0.00 H new ATOM 0 H1' DT A 6 24.188 30.518 34.969 1.00 0.00 H new ATOM 0 H3 DT A 6 27.931 28.583 33.681 1.00 0.00 H new ATOM 0 H71 DT A 6 24.834 29.296 29.291 1.00 0.00 H new ATOM 0 H72 DT A 6 26.449 30.027 29.142 1.00 0.00 H new ATOM 0 H73 DT A 6 26.281 28.260 29.271 1.00 0.00 H new ATOM 0 H6 DT A 6 24.254 30.542 31.245 1.00 0.00 H new ATOM 191 P DA A 7 21.230 34.022 35.366 1.00 0.00 P ATOM 192 OP1 DA A 7 20.298 34.216 36.505 1.00 0.00 O ATOM 193 OP2 DA A 7 20.899 34.648 34.061 1.00 0.00 O ATOM 194 O5' DA A 7 22.688 34.530 35.814 1.00 0.00 O ATOM 195 C5' DA A 7 23.211 34.172 37.086 1.00 0.00 C ATOM 196 C4' DA A 7 24.717 34.419 37.205 1.00 0.00 C ATOM 197 O4' DA A 7 25.415 33.599 36.281 1.00 0.00 O ATOM 198 C3' DA A 7 25.161 35.873 36.979 1.00 0.00 C ATOM 199 O3' DA A 7 25.849 36.329 38.138 1.00 0.00 O ATOM 200 C2' DA A 7 26.049 35.751 35.739 1.00 0.00 C ATOM 201 C1' DA A 7 26.540 34.307 35.811 1.00 0.00 C ATOM 202 N9 DA A 7 26.901 33.731 34.500 1.00 0.00 N ATOM 203 C8 DA A 7 26.154 33.748 33.345 1.00 0.00 C ATOM 204 N7 DA A 7 26.635 33.021 32.376 1.00 0.00 N ATOM 205 C5 DA A 7 27.822 32.519 32.933 1.00 0.00 C ATOM 206 C6 DA A 7 28.854 31.677 32.459 1.00 0.00 C ATOM 207 N6 DA A 7 28.864 31.141 31.258 1.00 0.00 N ATOM 208 N1 DA A 7 29.903 31.358 33.220 1.00 0.00 N ATOM 209 C2 DA A 7 29.947 31.868 34.442 1.00 0.00 C ATOM 210 N3 DA A 7 29.058 32.659 35.036 1.00 0.00 N ATOM 211 C4 DA A 7 28.003 32.951 34.218 1.00 0.00 C ATOM 0 H5' DA A 7 23.005 33.118 37.274 1.00 0.00 H new ATOM 0 H5'' DA A 7 22.693 34.740 37.859 1.00 0.00 H new ATOM 0 H4' DA A 7 24.957 34.175 38.240 1.00 0.00 H new ATOM 0 H3' DA A 7 24.363 36.599 36.823 1.00 0.00 H new ATOM 0 H2' DA A 7 25.491 35.943 34.822 1.00 0.00 H new ATOM 0 H2'' DA A 7 26.876 36.461 35.763 1.00 0.00 H new ATOM 0 H1' DA A 7 27.437 34.252 36.428 1.00 0.00 H new ATOM 0 H8 DA A 7 25.242 34.318 33.249 1.00 0.00 H new ATOM 0 H61 DA A 7 29.638 30.541 30.974 1.00 0.00 H new ATOM 0 H62 DA A 7 28.097 31.326 30.611 1.00 0.00 H new ATOM 0 H2 DA A 7 30.815 31.609 35.030 1.00 0.00 H new ATOM 223 P DC A 8 26.358 37.850 38.316 1.00 0.00 P ATOM 224 OP1 DC A 8 26.425 38.143 39.770 1.00 0.00 O ATOM 225 OP2 DC A 8 25.550 38.740 37.445 1.00 0.00 O ATOM 226 O5' DC A 8 27.859 37.799 37.734 1.00 0.00 O ATOM 227 C5' DC A 8 28.859 37.036 38.398 1.00 0.00 C ATOM 228 C4' DC A 8 30.142 36.870 37.576 1.00 0.00 C ATOM 229 O4' DC A 8 29.878 36.125 36.394 1.00 0.00 O ATOM 230 C3' DC A 8 30.803 38.195 37.155 1.00 0.00 C ATOM 231 O3' DC A 8 32.150 38.228 37.623 1.00 0.00 O ATOM 232 C2' DC A 8 30.693 38.138 35.630 1.00 0.00 C ATOM 233 C1' DC A 8 30.711 36.629 35.372 1.00 0.00 C ATOM 234 N1 DC A 8 30.158 36.195 34.059 1.00 0.00 N ATOM 235 C2 DC A 8 30.878 35.287 33.265 1.00 0.00 C ATOM 236 O2 DC A 8 31.999 34.878 33.578 1.00 0.00 O ATOM 237 N3 DC A 8 30.355 34.815 32.106 1.00 0.00 N ATOM 238 C4 DC A 8 29.148 35.214 31.759 1.00 0.00 C ATOM 239 N4 DC A 8 28.672 34.721 30.655 1.00 0.00 N ATOM 240 C5 DC A 8 28.359 36.109 32.525 1.00 0.00 C ATOM 241 C6 DC A 8 28.901 36.588 33.669 1.00 0.00 C ATOM 0 H5' DC A 8 28.457 36.051 38.634 1.00 0.00 H new ATOM 0 H5'' DC A 8 29.103 37.516 39.346 1.00 0.00 H new ATOM 0 H4' DC A 8 30.834 36.351 38.239 1.00 0.00 H new ATOM 0 H3' DC A 8 30.346 39.097 37.562 1.00 0.00 H new ATOM 0 H2' DC A 8 29.776 38.604 35.268 1.00 0.00 H new ATOM 0 H2'' DC A 8 31.524 38.647 35.141 1.00 0.00 H new ATOM 0 H1' DC A 8 31.741 36.272 35.360 1.00 0.00 H new ATOM 0 H41 DC A 8 27.742 34.992 30.334 1.00 0.00 H new ATOM 0 H42 DC A 8 29.228 34.063 30.109 1.00 0.00 H new ATOM 0 H5 DC A 8 27.367 36.396 32.209 1.00 0.00 H new ATOM 0 H6 DC A 8 28.342 37.283 34.278 1.00 0.00 H new ATOM 253 P DA A 9 33.028 39.585 37.649 1.00 0.00 P ATOM 254 OP1 DA A 9 34.115 39.406 38.643 1.00 0.00 O ATOM 255 OP2 DA A 9 32.119 40.750 37.795 1.00 0.00 O ATOM 256 O5' DA A 9 33.681 39.637 36.176 1.00 0.00 O ATOM 257 C5' DA A 9 34.739 38.759 35.816 1.00 0.00 C ATOM 258 C4' DA A 9 34.858 38.570 34.299 1.00 0.00 C ATOM 259 O4' DA A 9 33.683 37.982 33.768 1.00 0.00 O ATOM 260 C3' DA A 9 35.103 39.842 33.477 1.00 0.00 C ATOM 261 O3' DA A 9 36.500 40.092 33.339 1.00 0.00 O ATOM 262 C2' DA A 9 34.420 39.500 32.145 1.00 0.00 C ATOM 263 C1' DA A 9 33.781 38.133 32.372 1.00 0.00 C ATOM 264 N9 DA A 9 32.466 38.009 31.715 1.00 0.00 N ATOM 265 C8 DA A 9 31.305 38.698 31.972 1.00 0.00 C ATOM 266 N7 DA A 9 30.335 38.441 31.133 1.00 0.00 N ATOM 267 C5 DA A 9 30.916 37.512 30.251 1.00 0.00 C ATOM 268 C6 DA A 9 30.490 36.810 29.095 1.00 0.00 C ATOM 269 N6 DA A 9 29.306 36.914 28.522 1.00 0.00 N ATOM 270 N1 DA A 9 31.292 35.946 28.471 1.00 0.00 N ATOM 271 C2 DA A 9 32.511 35.771 28.963 1.00 0.00 C ATOM 272 N3 DA A 9 33.067 36.358 30.013 1.00 0.00 N ATOM 273 C4 DA A 9 32.205 37.225 30.618 1.00 0.00 C ATOM 0 H5' DA A 9 34.578 37.790 36.288 1.00 0.00 H new ATOM 0 H5'' DA A 9 35.679 39.150 36.205 1.00 0.00 H new ATOM 0 H4' DA A 9 35.740 37.936 34.206 1.00 0.00 H new ATOM 0 H3' DA A 9 34.712 40.756 33.924 1.00 0.00 H new ATOM 0 H2' DA A 9 33.672 40.247 31.881 1.00 0.00 H new ATOM 0 H2'' DA A 9 35.141 39.469 31.328 1.00 0.00 H new ATOM 0 H1' DA A 9 34.388 37.345 31.927 1.00 0.00 H new ATOM 0 H8 DA A 9 31.203 39.391 32.794 1.00 0.00 H new ATOM 0 H61 DA A 9 29.092 36.365 27.689 1.00 0.00 H new ATOM 0 H62 DA A 9 28.604 37.543 28.912 1.00 0.00 H new ATOM 0 H2 DA A 9 33.131 35.058 28.440 1.00 0.00 H new ATOM 285 P DT A 10 37.076 41.402 32.585 1.00 0.00 P ATOM 286 OP1 DT A 10 38.496 41.570 32.985 1.00 0.00 O ATOM 287 OP2 DT A 10 36.138 42.531 32.805 1.00 0.00 O ATOM 288 O5' DT A 10 37.025 40.998 31.023 1.00 0.00 O ATOM 289 C5' DT A 10 37.958 40.079 30.464 1.00 0.00 C ATOM 290 C4' DT A 10 37.618 39.673 29.021 1.00 0.00 C ATOM 291 O4' DT A 10 36.440 38.878 28.952 1.00 0.00 O ATOM 292 C3' DT A 10 37.316 40.846 28.085 1.00 0.00 C ATOM 293 O3' DT A 10 38.470 41.550 27.644 1.00 0.00 O ATOM 294 C2' DT A 10 36.667 40.089 26.930 1.00 0.00 C ATOM 295 C1' DT A 10 35.974 38.902 27.607 1.00 0.00 C ATOM 296 N1 DT A 10 34.492 39.022 27.543 1.00 0.00 N ATOM 297 C2 DT A 10 33.839 38.406 26.467 1.00 0.00 C ATOM 298 O2 DT A 10 34.420 37.784 25.578 1.00 0.00 O ATOM 299 N3 DT A 10 32.476 38.559 26.403 1.00 0.00 N ATOM 300 C4 DT A 10 31.711 39.325 27.250 1.00 0.00 C ATOM 301 O4 DT A 10 30.496 39.357 27.065 1.00 0.00 O ATOM 302 C5 DT A 10 32.464 40.031 28.290 1.00 0.00 C ATOM 303 C7 DT A 10 31.758 40.989 29.238 1.00 0.00 C ATOM 304 C6 DT A 10 33.806 39.846 28.413 1.00 0.00 C ATOM 0 H5' DT A 10 37.995 39.185 31.087 1.00 0.00 H new ATOM 0 H5'' DT A 10 38.953 40.524 30.485 1.00 0.00 H new ATOM 0 H4' DT A 10 38.519 39.145 28.709 1.00 0.00 H new ATOM 0 H3' DT A 10 36.719 41.630 28.551 1.00 0.00 H new ATOM 0 H2' DT A 10 35.954 40.715 26.394 1.00 0.00 H new ATOM 0 H2'' DT A 10 37.409 39.757 26.204 1.00 0.00 H new ATOM 0 H1' DT A 10 36.214 37.970 27.096 1.00 0.00 H new ATOM 0 H3 DT A 10 31.987 38.059 25.660 1.00 0.00 H new ATOM 0 H71 DT A 10 32.275 40.999 30.197 1.00 0.00 H new ATOM 0 H72 DT A 10 31.764 41.992 28.812 1.00 0.00 H new ATOM 0 H73 DT A 10 30.728 40.663 29.384 1.00 0.00 H new ATOM 0 H6 DT A 10 34.343 40.351 29.203 1.00 0.00 H new ATOM 317 P DC A 11 38.379 43.099 27.202 1.00 0.00 P ATOM 318 OP1 DC A 11 39.734 43.530 26.774 1.00 0.00 O ATOM 319 OP2 DC A 11 37.697 43.862 28.277 1.00 0.00 O ATOM 320 O5' DC A 11 37.407 43.078 25.912 1.00 0.00 O ATOM 321 C5' DC A 11 37.869 42.664 24.631 1.00 0.00 C ATOM 322 C4' DC A 11 36.754 42.643 23.572 1.00 0.00 C ATOM 323 O4' DC A 11 35.752 41.667 23.858 1.00 0.00 O ATOM 324 C3' DC A 11 35.935 43.937 23.489 1.00 0.00 C ATOM 325 O3' DC A 11 36.567 45.143 23.043 1.00 0.00 O ATOM 326 C2' DC A 11 34.749 43.450 22.666 1.00 0.00 C ATOM 327 C1' DC A 11 34.606 41.978 23.070 1.00 0.00 C ATOM 328 N1 DC A 11 33.321 41.773 23.793 1.00 0.00 N ATOM 329 C2 DC A 11 32.212 41.306 23.069 1.00 0.00 C ATOM 330 O2 DC A 11 32.307 40.899 21.911 1.00 0.00 O ATOM 331 N3 DC A 11 30.976 41.297 23.616 1.00 0.00 N ATOM 332 C4 DC A 11 30.835 41.746 24.845 1.00 0.00 C ATOM 333 N4 DC A 11 29.619 41.750 25.305 1.00 0.00 N ATOM 334 C5 DC A 11 31.917 42.227 25.635 1.00 0.00 C ATOM 335 C6 DC A 11 33.153 42.228 25.078 1.00 0.00 C ATOM 0 H5' DC A 11 38.305 41.668 24.712 1.00 0.00 H new ATOM 0 H5'' DC A 11 38.663 43.334 24.302 1.00 0.00 H new ATOM 0 H4' DC A 11 37.314 42.452 22.657 1.00 0.00 H new ATOM 0 H3' DC A 11 35.692 44.335 24.474 1.00 0.00 H new ATOM 0 H2' DC A 11 33.846 44.017 22.891 1.00 0.00 H new ATOM 0 H2'' DC A 11 34.933 43.556 21.597 1.00 0.00 H new ATOM 0 H1' DC A 11 34.568 41.308 22.211 1.00 0.00 H new ATOM 0 H41 DC A 11 29.432 42.084 26.250 1.00 0.00 H new ATOM 0 H42 DC A 11 28.852 41.419 24.720 1.00 0.00 H new ATOM 0 H5 DC A 11 31.759 42.579 26.644 1.00 0.00 H new ATOM 0 H6 DC A 11 34.002 42.585 25.642 1.00 0.00 H new ATOM 347 P DG A 12 37.292 45.391 21.612 1.00 0.00 P ATOM 348 OP1 DG A 12 38.305 44.324 21.416 1.00 0.00 O ATOM 349 OP2 DG A 12 37.754 46.800 21.619 1.00 0.00 O ATOM 350 O5' DG A 12 36.160 45.271 20.456 1.00 0.00 O ATOM 351 C5' DG A 12 36.258 44.323 19.391 1.00 0.00 C ATOM 352 C4' DG A 12 35.001 44.248 18.500 1.00 0.00 C ATOM 353 O4' DG A 12 33.893 43.737 19.243 1.00 0.00 O ATOM 354 C3' DG A 12 34.575 45.613 17.919 1.00 0.00 C ATOM 355 O3' DG A 12 34.128 45.519 16.567 1.00 0.00 O ATOM 356 C2' DG A 12 33.403 45.973 18.823 1.00 0.00 C ATOM 357 C1' DG A 12 32.780 44.592 19.036 1.00 0.00 C ATOM 358 N9 DG A 12 31.830 44.529 20.176 1.00 0.00 N ATOM 359 C8 DG A 12 31.924 45.127 21.410 1.00 0.00 C ATOM 360 N7 DG A 12 30.916 44.884 22.207 1.00 0.00 N ATOM 361 C5 DG A 12 30.067 44.083 21.427 1.00 0.00 C ATOM 362 C6 DG A 12 28.769 43.516 21.701 1.00 0.00 C ATOM 363 O6 DG A 12 28.081 43.584 22.720 1.00 0.00 O ATOM 364 N1 DG A 12 28.235 42.817 20.636 1.00 0.00 N ATOM 365 C2 DG A 12 28.855 42.679 19.440 1.00 0.00 C ATOM 366 N2 DG A 12 28.194 42.057 18.500 1.00 0.00 N ATOM 367 N3 DG A 12 30.052 43.178 19.139 1.00 0.00 N ATOM 368 C4 DG A 12 30.616 43.872 20.178 1.00 0.00 C ATOM 0 H5' DG A 12 36.451 43.337 19.813 1.00 0.00 H new ATOM 0 H5'' DG A 12 37.117 44.578 18.770 1.00 0.00 H new ATOM 0 H4' DG A 12 35.272 43.590 17.675 1.00 0.00 H new ATOM 0 H3' DG A 12 35.391 46.335 17.896 1.00 0.00 H new ATOM 0 H2' DG A 12 33.726 46.431 19.758 1.00 0.00 H new ATOM 0 H2'' DG A 12 32.713 46.670 18.349 1.00 0.00 H new ATOM 0 HO3' DG A 12 33.868 46.408 16.246 1.00 0.00 H new ATOM 0 H1' DG A 12 32.169 44.307 18.179 1.00 0.00 H new ATOM 0 H8 DG A 12 32.761 45.746 21.698 1.00 0.00 H new ATOM 0 H1 DG A 12 27.321 42.380 20.757 1.00 0.00 H new ATOM 0 H21 DG A 12 28.616 41.927 17.581 1.00 0.00 H new ATOM 0 H22 DG A 12 27.256 41.702 18.686 1.00 0.00 H new TER 381 DG A 12 HETATM 382 N1 DCZ B 13 23.725 40.362 20.279 1.00 0.00 N HETATM 383 C2 DCZ B 13 24.944 41.036 20.092 1.00 0.00 C HETATM 384 N3 DCZ B 13 25.563 41.650 21.132 1.00 0.00 N HETATM 385 C4 DCZ B 13 25.002 41.581 22.325 1.00 0.00 C HETATM 386 C5 DCZ B 13 23.797 40.876 22.593 1.00 0.00 C HETATM 387 C6 DCZ B 13 23.184 40.274 21.544 1.00 0.00 C HETATM 388 O2 DCZ B 13 25.502 41.103 18.992 1.00 0.00 O HETATM 389 N4 DCZ B 13 25.601 42.230 23.280 1.00 0.00 N HETATM 390 C1' DCZ B 13 23.034 39.724 19.118 1.00 0.00 C HETATM 391 C2' DCZ B 13 23.143 38.198 19.177 1.00 0.00 C HETATM 392 C3' DCZ B 13 21.855 37.717 18.512 1.00 0.00 C HETATM 393 C4' DCZ B 13 20.880 38.871 18.790 1.00 0.00 C HETATM 394 O4' DCZ B 13 21.644 40.026 19.143 1.00 0.00 O HETATM 395 O3' DCZ B 13 22.028 37.504 17.114 1.00 0.00 O HETATM 396 C5' DCZ B 13 19.840 38.542 19.885 1.00 0.00 C HETATM 397 O5' DCZ B 13 20.405 38.104 21.123 1.00 0.00 O HETATM 0 HO51 DCZ B 13 19.686 37.918 21.763 1.00 0.00 H new HETATM 0 HN42 DCZ B 13 25.217 42.216 24.225 1.00 0.00 H new HETATM 0 HN41 DCZ B 13 26.455 42.753 23.084 1.00 0.00 H new HETATM 0 H5'2 DCZ B 13 19.233 39.428 20.070 1.00 0.00 H new HETATM 0 H5'1 DCZ B 13 19.170 37.768 19.512 1.00 0.00 H new HETATM 0 H2'2 DCZ B 13 24.025 37.839 18.647 1.00 0.00 H new HETATM 0 H2'1 DCZ B 13 23.221 37.842 20.204 1.00 0.00 H new HETATM 0 H6 DCZ B 13 22.260 39.718 21.702 1.00 0.00 H new HETATM 0 H5 DCZ B 13 23.383 40.822 23.600 1.00 0.00 H new HETATM 0 H4' DCZ B 13 20.300 39.053 17.885 1.00 0.00 H new HETATM 0 H3' DCZ B 13 21.509 36.757 18.894 1.00 0.00 H new HETATM 0 H1' DCZ B 13 23.513 40.110 18.218 1.00 0.00 H new ATOM 410 P DG B 14 22.112 36.004 16.522 1.00 0.00 P ATOM 411 OP1 DG B 14 22.277 36.089 15.049 1.00 0.00 O ATOM 412 OP2 DG B 14 20.982 35.214 17.071 1.00 0.00 O ATOM 413 O5' DG B 14 23.480 35.467 17.186 1.00 0.00 O ATOM 414 C5' DG B 14 24.745 35.682 16.571 1.00 0.00 C ATOM 415 C4' DG B 14 25.933 35.428 17.512 1.00 0.00 C ATOM 416 O4' DG B 14 26.140 36.523 18.402 1.00 0.00 O ATOM 417 C3' DG B 14 25.786 34.161 18.378 1.00 0.00 C ATOM 418 O3' DG B 14 26.950 33.351 18.347 1.00 0.00 O ATOM 419 C2' DG B 14 25.633 34.760 19.772 1.00 0.00 C ATOM 420 C1' DG B 14 26.553 35.973 19.638 1.00 0.00 C ATOM 421 N9 DG B 14 26.468 36.944 20.758 1.00 0.00 N ATOM 422 C8 DG B 14 25.535 37.041 21.765 1.00 0.00 C ATOM 423 N7 DG B 14 25.810 37.939 22.674 1.00 0.00 N ATOM 424 C5 DG B 14 27.028 38.483 22.240 1.00 0.00 C ATOM 425 C6 DG B 14 27.892 39.479 22.822 1.00 0.00 C ATOM 426 O6 DG B 14 27.763 40.106 23.873 1.00 0.00 O ATOM 427 N1 DG B 14 29.029 39.725 22.082 1.00 0.00 N ATOM 428 C2 DG B 14 29.320 39.100 20.918 1.00 0.00 C ATOM 429 N2 DG B 14 30.449 39.414 20.343 1.00 0.00 N ATOM 430 N3 DG B 14 28.565 38.164 20.347 1.00 0.00 N ATOM 431 C4 DG B 14 27.424 37.895 21.057 1.00 0.00 C ATOM 0 H5' DG B 14 24.793 36.708 16.206 1.00 0.00 H new ATOM 0 H5'' DG B 14 24.834 35.030 15.702 1.00 0.00 H new ATOM 0 H4' DG B 14 26.781 35.298 16.840 1.00 0.00 H new ATOM 0 H3' DG B 14 24.971 33.518 18.048 1.00 0.00 H new ATOM 0 H2' DG B 14 24.603 35.040 19.995 1.00 0.00 H new ATOM 0 H2'' DG B 14 25.955 34.077 20.558 1.00 0.00 H new ATOM 0 H1' DG B 14 27.607 35.697 19.673 1.00 0.00 H new ATOM 0 H8 DG B 14 24.648 36.426 21.801 1.00 0.00 H new ATOM 0 H1 DG B 14 29.689 40.419 22.433 1.00 0.00 H new ATOM 0 H21 DG B 14 30.714 38.970 19.464 1.00 0.00 H new ATOM 0 H22 DG B 14 31.066 40.103 20.773 1.00 0.00 H new ATOM 443 P DA B 15 27.134 32.223 17.219 1.00 0.00 P ATOM 444 OP1 DA B 15 26.894 32.830 15.885 1.00 0.00 O ATOM 445 OP2 DA B 15 26.332 31.042 17.622 1.00 0.00 O ATOM 446 O5' DA B 15 28.690 31.831 17.327 1.00 0.00 O ATOM 447 C5' DA B 15 29.729 32.724 16.928 1.00 0.00 C ATOM 448 C4' DA B 15 30.536 33.304 18.102 1.00 0.00 C ATOM 449 O4' DA B 15 29.820 34.230 18.912 1.00 0.00 O ATOM 450 C3' DA B 15 31.026 32.240 19.088 1.00 0.00 C ATOM 451 O3' DA B 15 32.193 31.565 18.636 1.00 0.00 O ATOM 452 C2' DA B 15 31.287 33.081 20.338 1.00 0.00 C ATOM 453 C1' DA B 15 30.638 34.432 20.052 1.00 0.00 C ATOM 454 N9 DA B 15 29.923 34.940 21.243 1.00 0.00 N ATOM 455 C8 DA B 15 28.739 34.515 21.796 1.00 0.00 C ATOM 456 N7 DA B 15 28.419 35.124 22.912 1.00 0.00 N ATOM 457 C5 DA B 15 29.508 35.989 23.126 1.00 0.00 C ATOM 458 C6 DA B 15 29.882 36.923 24.127 1.00 0.00 C ATOM 459 N6 DA B 15 29.178 37.232 25.201 1.00 0.00 N ATOM 460 N1 DA B 15 31.031 37.593 24.053 1.00 0.00 N ATOM 461 C2 DA B 15 31.825 37.365 23.016 1.00 0.00 C ATOM 462 N3 DA B 15 31.620 36.529 22.007 1.00 0.00 N ATOM 463 C4 DA B 15 30.430 35.870 22.120 1.00 0.00 C ATOM 0 H5' DA B 15 29.291 33.545 16.360 1.00 0.00 H new ATOM 0 H5'' DA B 15 30.409 32.199 16.257 1.00 0.00 H new ATOM 0 H4' DA B 15 31.358 33.794 17.580 1.00 0.00 H new ATOM 0 H3' DA B 15 30.317 31.426 19.240 1.00 0.00 H new ATOM 0 H2' DA B 15 30.854 32.616 21.224 1.00 0.00 H new ATOM 0 H2'' DA B 15 32.356 33.189 20.524 1.00 0.00 H new ATOM 0 H1' DA B 15 31.365 35.215 19.836 1.00 0.00 H new ATOM 0 H8 DA B 15 28.125 33.746 21.350 1.00 0.00 H new ATOM 0 H61 DA B 15 29.535 37.920 25.864 1.00 0.00 H new ATOM 0 H62 DA B 15 28.277 36.783 25.367 1.00 0.00 H new ATOM 0 H2 DA B 15 32.747 37.926 22.990 1.00 0.00 H new ATOM 475 P DT B 16 32.759 30.263 19.402 1.00 0.00 P ATOM 476 OP1 DT B 16 33.837 29.674 18.567 1.00 0.00 O ATOM 477 OP2 DT B 16 31.613 29.407 19.801 1.00 0.00 O ATOM 478 O5' DT B 16 33.416 30.886 20.735 1.00 0.00 O ATOM 479 C5' DT B 16 34.613 31.656 20.680 1.00 0.00 C ATOM 480 C4' DT B 16 34.976 32.282 22.036 1.00 0.00 C ATOM 481 O4' DT B 16 34.023 33.241 22.471 1.00 0.00 O ATOM 482 C3' DT B 16 35.058 31.245 23.153 1.00 0.00 C ATOM 483 O3' DT B 16 36.313 30.585 23.097 1.00 0.00 O ATOM 484 C2' DT B 16 34.917 32.135 24.387 1.00 0.00 C ATOM 485 C1' DT B 16 34.061 33.311 23.891 1.00 0.00 C ATOM 486 N1 DT B 16 32.673 33.289 24.438 1.00 0.00 N ATOM 487 C2 DT B 16 32.389 34.143 25.510 1.00 0.00 C ATOM 488 O2 DT B 16 33.230 34.867 26.035 1.00 0.00 O ATOM 489 N3 DT B 16 31.101 34.148 25.989 1.00 0.00 N ATOM 490 C4 DT B 16 30.067 33.375 25.507 1.00 0.00 C ATOM 491 O4 DT B 16 28.946 33.520 25.994 1.00 0.00 O ATOM 492 C5 DT B 16 30.438 32.456 24.426 1.00 0.00 C ATOM 493 C7 DT B 16 29.398 31.513 23.841 1.00 0.00 C ATOM 494 C6 DT B 16 31.708 32.439 23.936 1.00 0.00 C ATOM 0 H5' DT B 16 34.498 32.446 19.938 1.00 0.00 H new ATOM 0 H5'' DT B 16 35.434 31.021 20.346 1.00 0.00 H new ATOM 0 H4' DT B 16 35.945 32.749 21.859 1.00 0.00 H new ATOM 0 H3' DT B 16 34.318 30.446 23.117 1.00 0.00 H new ATOM 0 H2' DT B 16 34.434 31.607 25.209 1.00 0.00 H new ATOM 0 H2'' DT B 16 35.888 32.472 24.751 1.00 0.00 H new ATOM 0 H1' DT B 16 34.510 34.242 24.238 1.00 0.00 H new ATOM 0 H3 DT B 16 30.893 34.776 26.766 1.00 0.00 H new ATOM 0 H71 DT B 16 29.631 31.318 22.794 1.00 0.00 H new ATOM 0 H72 DT B 16 29.405 30.574 24.395 1.00 0.00 H new ATOM 0 H73 DT B 16 28.411 31.970 23.914 1.00 0.00 H new ATOM 0 H6 DT B 16 31.964 31.751 23.144 1.00 0.00 H new ATOM 507 P DG B 17 36.463 29.014 23.409 1.00 0.00 P ATOM 508 OP1 DG B 17 37.837 28.600 23.030 1.00 0.00 O ATOM 509 OP2 DG B 17 35.310 28.284 22.828 1.00 0.00 O ATOM 510 O5' DG B 17 36.328 28.971 25.006 1.00 0.00 O ATOM 511 C5' DG B 17 37.361 29.446 25.862 1.00 0.00 C ATOM 512 C4' DG B 17 36.970 29.301 27.338 1.00 0.00 C ATOM 513 O4' DG B 17 35.901 30.184 27.663 1.00 0.00 O ATOM 514 C3' DG B 17 36.502 27.869 27.654 1.00 0.00 C ATOM 515 O3' DG B 17 36.999 27.399 28.893 1.00 0.00 O ATOM 516 C2' DG B 17 34.994 28.054 27.739 1.00 0.00 C ATOM 517 C1' DG B 17 34.899 29.456 28.344 1.00 0.00 C ATOM 518 N9 DG B 17 33.591 30.136 28.158 1.00 0.00 N ATOM 519 C8 DG B 17 32.710 30.059 27.104 1.00 0.00 C ATOM 520 N7 DG B 17 31.656 30.823 27.225 1.00 0.00 N ATOM 521 C5 DG B 17 31.850 31.462 28.458 1.00 0.00 C ATOM 522 C6 DG B 17 31.063 32.433 29.178 1.00 0.00 C ATOM 523 O6 DG B 17 29.984 32.943 28.881 1.00 0.00 O ATOM 524 N1 DG B 17 31.630 32.838 30.369 1.00 0.00 N ATOM 525 C2 DG B 17 32.806 32.374 30.835 1.00 0.00 C ATOM 526 N2 DG B 17 33.245 32.866 31.957 1.00 0.00 N ATOM 527 N3 DG B 17 33.569 31.483 30.208 1.00 0.00 N ATOM 528 C4 DG B 17 33.038 31.054 29.024 1.00 0.00 C ATOM 0 H5' DG B 17 37.569 30.493 25.639 1.00 0.00 H new ATOM 0 H5'' DG B 17 38.279 28.891 25.670 1.00 0.00 H new ATOM 0 H4' DG B 17 37.857 29.540 27.925 1.00 0.00 H new ATOM 0 H3' DG B 17 36.842 27.140 26.919 1.00 0.00 H new ATOM 0 H2' DG B 17 34.517 27.995 26.761 1.00 0.00 H new ATOM 0 H2'' DG B 17 34.522 27.301 28.370 1.00 0.00 H new ATOM 0 H1' DG B 17 35.017 29.395 29.426 1.00 0.00 H new ATOM 0 H8 DG B 17 32.875 29.421 26.248 1.00 0.00 H new ATOM 0 H1 DG B 17 31.130 33.529 30.929 1.00 0.00 H new ATOM 0 H21 DG B 17 34.131 32.542 32.344 1.00 0.00 H new ATOM 0 H22 DG B 17 32.703 33.576 32.449 1.00 0.00 H new ATOM 540 P DT B 18 38.481 26.782 29.018 1.00 0.00 P ATOM 541 OP1 DT B 18 39.414 27.534 28.144 1.00 0.00 O ATOM 542 OP2 DT B 18 38.389 25.309 28.874 1.00 0.00 O ATOM 543 O5' DT B 18 38.815 27.142 30.551 1.00 0.00 O ATOM 544 C5' DT B 18 38.929 28.497 30.989 1.00 0.00 C ATOM 545 C4' DT B 18 37.899 28.872 32.068 1.00 0.00 C ATOM 546 O4' DT B 18 36.567 28.993 31.586 1.00 0.00 O ATOM 547 C3' DT B 18 37.859 27.881 33.243 1.00 0.00 C ATOM 548 O3' DT B 18 38.473 28.479 34.380 1.00 0.00 O ATOM 549 C2' DT B 18 36.358 27.601 33.405 1.00 0.00 C ATOM 550 C1' DT B 18 35.718 28.799 32.705 1.00 0.00 C ATOM 551 N1 DT B 18 34.294 28.647 32.280 1.00 0.00 N ATOM 552 C2 DT B 18 33.342 29.519 32.832 1.00 0.00 C ATOM 553 O2 DT B 18 33.548 30.247 33.800 1.00 0.00 O ATOM 554 N3 DT B 18 32.101 29.548 32.242 1.00 0.00 N ATOM 555 C4 DT B 18 31.731 28.811 31.145 1.00 0.00 C ATOM 556 O4 DT B 18 30.659 29.063 30.601 1.00 0.00 O ATOM 557 C5 DT B 18 32.691 27.786 30.740 1.00 0.00 C ATOM 558 C7 DT B 18 32.293 26.766 29.686 1.00 0.00 C ATOM 559 C6 DT B 18 33.930 27.740 31.303 1.00 0.00 C ATOM 0 H5' DT B 18 38.807 29.161 30.133 1.00 0.00 H new ATOM 0 H5'' DT B 18 39.933 28.663 31.380 1.00 0.00 H new ATOM 0 H4' DT B 18 38.255 29.846 32.403 1.00 0.00 H new ATOM 0 H3' DT B 18 38.408 26.951 33.095 1.00 0.00 H new ATOM 0 H2' DT B 18 36.069 26.658 32.940 1.00 0.00 H new ATOM 0 H2'' DT B 18 36.068 27.542 34.454 1.00 0.00 H new ATOM 0 H1' DT B 18 35.646 29.639 33.396 1.00 0.00 H new ATOM 0 H3 DT B 18 31.400 30.166 32.652 1.00 0.00 H new ATOM 0 H71 DT B 18 31.218 26.590 29.737 1.00 0.00 H new ATOM 0 H72 DT B 18 32.552 27.145 28.697 1.00 0.00 H new ATOM 0 H73 DT B 18 32.823 25.831 29.867 1.00 0.00 H new ATOM 0 H6 DT B 18 34.635 26.987 30.983 1.00 0.00 H new ATOM 572 P DA B 19 39.107 27.597 35.579 1.00 0.00 P ATOM 573 OP1 DA B 19 40.133 28.423 36.266 1.00 0.00 O ATOM 574 OP2 DA B 19 39.500 26.262 35.063 1.00 0.00 O ATOM 575 O5' DA B 19 37.858 27.404 36.568 1.00 0.00 O ATOM 576 C5' DA B 19 37.359 28.506 37.315 1.00 0.00 C ATOM 577 C4' DA B 19 35.941 28.268 37.834 1.00 0.00 C ATOM 578 O4' DA B 19 35.017 28.187 36.762 1.00 0.00 O ATOM 579 C3' DA B 19 35.753 27.020 38.709 1.00 0.00 C ATOM 580 O3' DA B 19 35.424 27.457 40.023 1.00 0.00 O ATOM 581 C2' DA B 19 34.629 26.280 37.974 1.00 0.00 C ATOM 582 C1' DA B 19 33.935 27.403 37.206 1.00 0.00 C ATOM 583 N9 DA B 19 33.188 26.951 36.015 1.00 0.00 N ATOM 584 C8 DA B 19 33.622 26.102 35.023 1.00 0.00 C ATOM 585 N7 DA B 19 32.786 25.957 34.031 1.00 0.00 N ATOM 586 C5 DA B 19 31.711 26.773 34.416 1.00 0.00 C ATOM 587 C6 DA B 19 30.470 27.113 33.832 1.00 0.00 C ATOM 588 N6 DA B 19 30.061 26.655 32.668 1.00 0.00 N ATOM 589 N1 DA B 19 29.627 27.962 34.418 1.00 0.00 N ATOM 590 C2 DA B 19 29.986 28.473 35.587 1.00 0.00 C ATOM 591 N3 DA B 19 31.108 28.254 36.267 1.00 0.00 N ATOM 592 C4 DA B 19 31.942 27.385 35.618 1.00 0.00 C ATOM 0 H5' DA B 19 37.368 29.399 36.690 1.00 0.00 H new ATOM 0 H5'' DA B 19 38.023 28.700 38.157 1.00 0.00 H new ATOM 0 H4' DA B 19 35.755 29.133 38.471 1.00 0.00 H new ATOM 0 H3' DA B 19 36.616 26.367 38.838 1.00 0.00 H new ATOM 0 H2' DA B 19 35.019 25.513 37.305 1.00 0.00 H new ATOM 0 H2'' DA B 19 33.950 25.784 38.667 1.00 0.00 H new ATOM 0 H1' DA B 19 33.200 27.899 37.840 1.00 0.00 H new ATOM 0 H8 DA B 19 34.576 25.597 35.062 1.00 0.00 H new ATOM 0 H61 DA B 19 29.153 26.938 32.299 1.00 0.00 H new ATOM 0 H62 DA B 19 30.652 26.017 32.135 1.00 0.00 H new ATOM 0 H2 DA B 19 29.280 29.151 36.044 1.00 0.00 H new ATOM 604 P DC B 20 35.233 26.446 41.263 1.00 0.00 P ATOM 605 OP1 DC B 20 35.488 27.198 42.517 1.00 0.00 O ATOM 606 OP2 DC B 20 35.998 25.200 41.006 1.00 0.00 O ATOM 607 O5' DC B 20 33.667 26.109 41.182 1.00 0.00 O ATOM 608 C5' DC B 20 32.699 27.125 41.414 1.00 0.00 C ATOM 609 C4' DC B 20 31.315 26.734 40.887 1.00 0.00 C ATOM 610 O4' DC B 20 31.346 26.536 39.481 1.00 0.00 O ATOM 611 C3' DC B 20 30.764 25.430 41.495 1.00 0.00 C ATOM 612 O3' DC B 20 29.881 25.708 42.578 1.00 0.00 O ATOM 613 C2' DC B 20 30.073 24.757 40.300 1.00 0.00 C ATOM 614 C1' DC B 20 30.188 25.789 39.179 1.00 0.00 C ATOM 615 N1 DC B 20 30.271 25.155 37.839 1.00 0.00 N ATOM 616 C2 DC B 20 29.191 25.282 36.955 1.00 0.00 C ATOM 617 O2 DC B 20 28.171 25.909 37.250 1.00 0.00 O ATOM 618 N3 DC B 20 29.236 24.719 35.725 1.00 0.00 N ATOM 619 C4 DC B 20 30.306 24.023 35.400 1.00 0.00 C ATOM 620 N4 DC B 20 30.315 23.558 34.187 1.00 0.00 N ATOM 621 C5 DC B 20 31.418 23.821 36.264 1.00 0.00 C ATOM 622 C6 DC B 20 31.366 24.403 37.486 1.00 0.00 C ATOM 0 H5' DC B 20 33.022 28.049 40.934 1.00 0.00 H new ATOM 0 H5'' DC B 20 32.635 27.327 42.483 1.00 0.00 H new ATOM 0 H4' DC B 20 30.669 27.565 41.173 1.00 0.00 H new ATOM 0 H3' DC B 20 31.525 24.786 41.936 1.00 0.00 H new ATOM 0 H2' DC B 20 30.561 23.820 40.032 1.00 0.00 H new ATOM 0 H2'' DC B 20 29.032 24.522 40.521 1.00 0.00 H new ATOM 0 H1' DC B 20 29.302 26.422 39.129 1.00 0.00 H new ATOM 0 H41 DC B 20 31.108 23.008 33.857 1.00 0.00 H new ATOM 0 H42 DC B 20 29.529 23.743 33.564 1.00 0.00 H new ATOM 0 H5 DC B 20 32.268 23.229 35.958 1.00 0.00 H new ATOM 0 H6 DC B 20 32.183 24.276 38.181 1.00 0.00 H new ATOM 634 P DA B 21 29.302 24.544 43.543 1.00 0.00 P ATOM 635 OP1 DA B 21 28.805 25.187 44.786 1.00 0.00 O ATOM 636 OP2 DA B 21 30.321 23.469 43.658 1.00 0.00 O ATOM 637 O5' DA B 21 28.036 23.954 42.732 1.00 0.00 O ATOM 638 C5' DA B 21 26.850 24.726 42.551 1.00 0.00 C ATOM 639 C4' DA B 21 25.912 24.162 41.467 1.00 0.00 C ATOM 640 O4' DA B 21 26.544 24.167 40.197 1.00 0.00 O ATOM 641 C3' DA B 21 25.462 22.714 41.715 1.00 0.00 C ATOM 642 O3' DA B 21 24.242 22.687 42.456 1.00 0.00 O ATOM 643 C2' DA B 21 25.296 22.151 40.297 1.00 0.00 C ATOM 644 C1' DA B 21 25.896 23.216 39.375 1.00 0.00 C ATOM 645 N9 DA B 21 26.846 22.665 38.378 1.00 0.00 N ATOM 646 C8 DA B 21 28.080 22.091 38.580 1.00 0.00 C ATOM 647 N7 DA B 21 28.643 21.626 37.491 1.00 0.00 N ATOM 648 C5 DA B 21 27.688 21.910 36.496 1.00 0.00 C ATOM 649 C6 DA B 21 27.575 21.672 35.100 1.00 0.00 C ATOM 650 N6 DA B 21 28.451 21.039 34.344 1.00 0.00 N ATOM 651 N1 DA B 21 26.511 22.081 34.411 1.00 0.00 N ATOM 652 C2 DA B 21 25.555 22.716 35.069 1.00 0.00 C ATOM 653 N3 DA B 21 25.499 22.999 36.363 1.00 0.00 N ATOM 654 C4 DA B 21 26.608 22.564 37.027 1.00 0.00 C ATOM 0 H5' DA B 21 27.127 25.747 42.286 1.00 0.00 H new ATOM 0 H5'' DA B 21 26.311 24.777 43.497 1.00 0.00 H new ATOM 0 H4' DA B 21 25.041 24.817 41.501 1.00 0.00 H new ATOM 0 H3' DA B 21 26.165 22.130 42.309 1.00 0.00 H new ATOM 0 H2' DA B 21 25.813 21.198 40.188 1.00 0.00 H new ATOM 0 H2'' DA B 21 24.246 21.973 40.063 1.00 0.00 H new ATOM 0 H1' DA B 21 25.091 23.665 38.793 1.00 0.00 H new ATOM 0 H8 DA B 21 28.545 22.029 39.553 1.00 0.00 H new ATOM 0 H61 DA B 21 28.273 20.921 33.347 1.00 0.00 H new ATOM 0 H62 DA B 21 29.306 20.667 34.757 1.00 0.00 H new ATOM 0 H2 DA B 21 24.714 23.046 34.477 1.00 0.00 H new ATOM 666 P DT B 22 23.572 21.313 42.979 1.00 0.00 P ATOM 667 OP1 DT B 22 22.586 21.663 44.033 1.00 0.00 O ATOM 668 OP2 DT B 22 24.655 20.352 43.310 1.00 0.00 O ATOM 669 O5' DT B 22 22.769 20.753 41.693 1.00 0.00 O ATOM 670 C5' DT B 22 21.531 21.328 41.285 1.00 0.00 C ATOM 671 C4' DT B 22 21.010 20.786 39.943 1.00 0.00 C ATOM 672 O4' DT B 22 21.831 21.183 38.852 1.00 0.00 O ATOM 673 C3' DT B 22 20.963 19.258 39.855 1.00 0.00 C ATOM 674 O3' DT B 22 19.852 18.696 40.538 1.00 0.00 O ATOM 675 C2' DT B 22 20.826 19.092 38.347 1.00 0.00 C ATOM 676 C1' DT B 22 21.606 20.279 37.778 1.00 0.00 C ATOM 677 N1 DT B 22 22.888 19.839 37.164 1.00 0.00 N ATOM 678 C2 DT B 22 22.877 19.568 35.789 1.00 0.00 C ATOM 679 O2 DT B 22 21.877 19.684 35.080 1.00 0.00 O ATOM 680 N3 DT B 22 24.056 19.125 35.239 1.00 0.00 N ATOM 681 C4 DT B 22 25.225 18.894 35.924 1.00 0.00 C ATOM 682 O4 DT B 22 26.213 18.520 35.293 1.00 0.00 O ATOM 683 C5 DT B 22 25.147 19.098 37.373 1.00 0.00 C ATOM 684 C7 DT B 22 26.341 18.756 38.251 1.00 0.00 C ATOM 685 C6 DT B 22 23.998 19.562 37.939 1.00 0.00 C ATOM 0 H5' DT B 22 21.650 22.409 41.209 1.00 0.00 H new ATOM 0 H5'' DT B 22 20.783 21.144 42.056 1.00 0.00 H new ATOM 0 H4' DT B 22 20.004 21.202 39.889 1.00 0.00 H new ATOM 0 H3' DT B 22 21.816 18.758 40.313 1.00 0.00 H new ATOM 0 H2' DT B 22 21.240 18.142 38.010 1.00 0.00 H new ATOM 0 H2'' DT B 22 19.782 19.113 38.035 1.00 0.00 H new ATOM 0 H1' DT B 22 21.039 20.763 36.983 1.00 0.00 H new ATOM 0 H3 DT B 22 24.064 18.952 34.234 1.00 0.00 H new ATOM 0 H71 DT B 22 26.350 19.410 39.123 1.00 0.00 H new ATOM 0 H72 DT B 22 26.268 17.718 38.576 1.00 0.00 H new ATOM 0 H73 DT B 22 27.261 18.895 37.684 1.00 0.00 H new ATOM 0 H6 DT B 22 23.954 19.715 39.007 1.00 0.00 H new ATOM 698 P DC B 23 19.834 17.150 40.999 1.00 0.00 P ATOM 699 OP1 DC B 23 18.618 16.940 41.826 1.00 0.00 O ATOM 700 OP2 DC B 23 21.155 16.812 41.581 1.00 0.00 O ATOM 701 O5' DC B 23 19.671 16.311 39.629 1.00 0.00 O ATOM 702 C5' DC B 23 18.490 16.387 38.837 1.00 0.00 C ATOM 703 C4' DC B 23 18.489 15.399 37.656 1.00 0.00 C ATOM 704 O4' DC B 23 19.563 15.681 36.757 1.00 0.00 O ATOM 705 C3' DC B 23 18.621 13.929 38.095 1.00 0.00 C ATOM 706 O3' DC B 23 17.734 13.116 37.331 1.00 0.00 O ATOM 707 C2' DC B 23 20.092 13.651 37.794 1.00 0.00 C ATOM 708 C1' DC B 23 20.310 14.493 36.536 1.00 0.00 C ATOM 709 N1 DC B 23 21.745 14.826 36.319 1.00 0.00 N ATOM 710 C2 DC B 23 22.393 14.401 35.149 1.00 0.00 C ATOM 711 O2 DC B 23 21.800 13.823 34.238 1.00 0.00 O ATOM 712 N3 DC B 23 23.714 14.640 34.965 1.00 0.00 N ATOM 713 C4 DC B 23 24.362 15.316 35.888 1.00 0.00 C ATOM 714 N4 DC B 23 25.622 15.523 35.653 1.00 0.00 N ATOM 715 C5 DC B 23 23.756 15.820 37.070 1.00 0.00 C ATOM 716 C6 DC B 23 22.441 15.549 37.257 1.00 0.00 C ATOM 0 H5' DC B 23 18.382 17.402 38.454 1.00 0.00 H new ATOM 0 H5'' DC B 23 17.623 16.190 39.468 1.00 0.00 H new ATOM 0 H4' DC B 23 17.523 15.532 37.169 1.00 0.00 H new ATOM 0 H3' DC B 23 18.361 13.723 39.133 1.00 0.00 H new ATOM 0 H2' DC B 23 20.743 13.959 38.612 1.00 0.00 H new ATOM 0 H2'' DC B 23 20.282 12.592 37.617 1.00 0.00 H new ATOM 0 H1' DC B 23 19.994 13.948 35.646 1.00 0.00 H new ATOM 0 H41 DC B 23 26.188 16.041 36.326 1.00 0.00 H new ATOM 0 H42 DC B 23 26.046 15.168 34.796 1.00 0.00 H new ATOM 0 H5 DC B 23 24.320 16.395 37.790 1.00 0.00 H new ATOM 0 H6 DC B 23 21.939 15.902 38.146 1.00 0.00 H new ATOM 728 P DG B 24 17.424 11.576 37.710 1.00 0.00 P ATOM 729 OP1 DG B 24 16.148 11.195 37.053 1.00 0.00 O ATOM 730 OP2 DG B 24 17.548 11.404 39.179 1.00 0.00 O ATOM 731 O5' DG B 24 18.624 10.767 37.002 1.00 0.00 O ATOM 732 C5' DG B 24 18.668 10.614 35.589 1.00 0.00 C ATOM 733 C4' DG B 24 19.996 10.036 35.082 1.00 0.00 C ATOM 734 O4' DG B 24 21.063 10.965 35.275 1.00 0.00 O ATOM 735 C3' DG B 24 20.410 8.718 35.772 1.00 0.00 C ATOM 736 O3' DG B 24 20.795 7.730 34.817 1.00 0.00 O ATOM 737 C2' DG B 24 21.623 9.161 36.587 1.00 0.00 C ATOM 738 C1' DG B 24 22.205 10.216 35.648 1.00 0.00 C ATOM 739 N9 DG B 24 23.273 11.058 36.245 1.00 0.00 N ATOM 740 C8 DG B 24 23.340 11.624 37.496 1.00 0.00 C ATOM 741 N7 DG B 24 24.478 12.214 37.759 1.00 0.00 N ATOM 742 C5 DG B 24 25.228 12.027 36.586 1.00 0.00 C ATOM 743 C6 DG B 24 26.579 12.400 36.235 1.00 0.00 C ATOM 744 O6 DG B 24 27.432 12.979 36.911 1.00 0.00 O ATOM 745 N1 DG B 24 26.941 12.027 34.955 1.00 0.00 N ATOM 746 C2 DG B 24 26.119 11.363 34.104 1.00 0.00 C ATOM 747 N2 DG B 24 26.587 11.046 32.924 1.00 0.00 N ATOM 748 N3 DG B 24 24.881 10.971 34.390 1.00 0.00 N ATOM 749 C4 DG B 24 24.485 11.339 35.649 1.00 0.00 C ATOM 0 H5' DG B 24 18.499 11.583 35.120 1.00 0.00 H new ATOM 0 H5'' DG B 24 17.853 9.962 35.276 1.00 0.00 H new ATOM 0 H4' DG B 24 19.822 9.835 34.025 1.00 0.00 H new ATOM 0 H3' DG B 24 19.610 8.265 36.357 1.00 0.00 H new ATOM 0 H2' DG B 24 21.345 9.574 37.556 1.00 0.00 H new ATOM 0 H2'' DG B 24 22.318 8.343 36.777 1.00 0.00 H new ATOM 0 HO3' DG B 24 21.053 6.908 35.283 1.00 0.00 H new ATOM 0 H1' DG B 24 22.729 9.763 34.806 1.00 0.00 H new ATOM 0 H8 DG B 24 22.523 11.585 38.201 1.00 0.00 H new ATOM 0 H1 DG B 24 27.879 12.264 34.632 1.00 0.00 H new ATOM 0 H21 DG B 24 25.997 10.547 32.259 1.00 0.00 H new ATOM 0 H22 DG B 24 27.542 11.298 32.670 1.00 0.00 H new TER 762 DG B 24 HETATM 763 O81 9TK A 101 23.227 30.433 38.972 1.00 0.00 O HETATM 764 C81 9TK A 101 23.817 29.921 38.025 1.00 0.00 C HETATM 765 C83 9TK A 101 21.633 27.586 36.268 1.00 0.00 C HETATM 766 N81 9TK A 101 21.881 28.490 37.276 1.00 0.00 N HETATM 767 C88 9TK A 101 20.893 28.914 38.276 1.00 0.00 C HETATM 768 C82 9TK A 101 23.209 28.880 37.124 1.00 0.00 C HETATM 769 N82 9TK A 101 23.785 28.249 36.104 1.00 0.00 N HETATM 770 C84 9TK A 101 22.800 27.449 35.571 1.00 0.00 C HETATM 776 N PYB A 102 25.117 30.294 37.685 1.00 0.00 N HETATM 777 CA PYB A 102 25.926 31.223 38.336 1.00 0.00 C HETATM 778 CB1 PYB A 102 27.212 31.639 37.902 1.00 0.00 C HETATM 779 CB PYB A 102 25.623 31.878 39.501 1.00 0.00 C HETATM 780 CG1 PYB A 102 27.679 32.555 38.818 1.00 0.00 C HETATM 781 NG2 PYB A 102 26.677 32.730 39.782 1.00 0.00 N HETATM 782 CD PYB A 102 26.642 33.692 40.895 1.00 0.00 C HETATM 783 C PYB A 102 28.991 33.250 38.945 1.00 0.00 C HETATM 784 O PYB A 102 29.267 33.914 39.935 1.00 0.00 O HETATM 0 HD3 PYB A 102 25.810 34.382 40.754 1.00 0.00 H new HETATM 0 HD2 PYB A 102 26.513 33.156 41.835 1.00 0.00 H new HETATM 0 HD1 PYB A 102 27.577 34.252 40.922 1.00 0.00 H new HETATM 0 HB1 PYB A 102 27.734 31.296 37.008 1.00 0.00 H new HETATM 0 HB PYB A 102 24.719 31.751 40.096 1.00 0.00 H new HETATM 0 H PYB A 102 25.438 29.854 36.823 1.00 0.00 H new HETATM 791 N PYB A 103 29.895 33.119 37.897 1.00 0.00 N HETATM 792 CA PYB A 103 31.214 33.579 37.925 1.00 0.00 C HETATM 793 CB1 PYB A 103 32.051 33.844 36.807 1.00 0.00 C HETATM 794 CB PYB A 103 31.912 33.874 39.067 1.00 0.00 C HETATM 795 CG1 PYB A 103 33.230 34.374 37.289 1.00 0.00 C HETATM 796 NG2 PYB A 103 33.129 34.407 38.688 1.00 0.00 N HETATM 797 CD PYB A 103 34.082 34.937 39.674 1.00 0.00 C HETATM 798 C PYB A 103 34.474 34.852 36.610 1.00 0.00 C HETATM 799 O PYB A 103 35.439 35.235 37.253 1.00 0.00 O HETATM 0 HD3 PYB A 103 33.618 35.754 40.226 1.00 0.00 H new HETATM 0 HD2 PYB A 103 34.366 34.145 40.368 1.00 0.00 H new HETATM 0 HD1 PYB A 103 34.970 35.305 39.160 1.00 0.00 H new HETATM 0 HB1 PYB A 103 31.806 33.662 35.761 1.00 0.00 H new HETATM 0 HB PYB A 103 31.569 33.717 40.090 1.00 0.00 H new HETATM 0 H PYB A 103 29.437 32.938 37.004 1.00 0.00 H new HETATM 806 N PYB A 104 34.502 34.859 35.218 1.00 0.00 N HETATM 807 CA PYB A 104 35.587 35.253 34.424 1.00 0.00 C HETATM 808 CB1 PYB A 104 35.587 35.319 33.007 1.00 0.00 C HETATM 809 CB PYB A 104 36.826 35.656 34.868 1.00 0.00 C HETATM 810 CG1 PYB A 104 36.823 35.787 32.609 1.00 0.00 C HETATM 811 NG2 PYB A 104 37.574 36.032 33.763 1.00 0.00 N HETATM 812 CD PYB A 104 38.911 36.639 33.872 1.00 0.00 C HETATM 813 C PYB A 104 37.399 35.986 31.254 1.00 0.00 C HETATM 814 O PYB A 104 38.533 36.389 31.039 1.00 0.00 O HETATM 0 HD3 PYB A 104 38.843 37.569 34.436 1.00 0.00 H new HETATM 0 HD2 PYB A 104 39.582 35.951 34.386 1.00 0.00 H new HETATM 0 HD1 PYB A 104 39.299 36.847 32.875 1.00 0.00 H new HETATM 0 HB1 PYB A 104 34.760 35.049 32.351 1.00 0.00 H new HETATM 0 HB PYB A 104 37.160 35.676 35.905 1.00 0.00 H new HETATM 0 H PYB A 104 33.621 34.589 34.780 1.00 0.00 H new HETATM 821 N ABU A 105 36.590 35.629 30.201 1.00 0.00 N HETATM 822 CA ABU A 105 37.119 35.564 28.830 1.00 0.00 C HETATM 823 CB ABU A 105 36.269 34.751 27.832 1.00 0.00 C HETATM 824 CG ABU A 105 36.061 33.251 28.189 1.00 0.00 C HETATM 825 CD ABU A 105 36.959 32.703 29.311 1.00 0.00 C HETATM 826 OE1 ABU A 105 38.167 32.575 29.178 1.00 0.00 O HETATM 0 H ABU A 105 35.602 35.392 30.289 1.00 0.00 H new HETATM 0 HB1 ABU A 105 35.291 35.224 27.746 1.00 0.00 H new HETATM 0 HB2 ABU A 105 36.739 34.810 26.850 1.00 0.00 H new HETATM 0 HG1 ABU A 105 35.450 32.776 27.422 1.00 0.00 H new HETATM 0 HG2 ABU A 105 37.029 32.752 28.243 1.00 0.00 H new HETATM 0 HE2 ABU A 105 35.558 33.173 29.153 1.00 0.00 H new HETATM 834 N IMT A 106 36.298 32.427 30.483 1.00 0.00 N HETATM 835 CA IMT A 106 36.790 32.329 31.756 1.00 0.00 C HETATM 836 NB1 IMT A 106 36.011 32.059 32.851 1.00 0.00 N HETATM 837 CB IMT A 106 38.080 32.598 32.124 1.00 0.00 C HETATM 838 CG1 IMT A 106 36.829 32.159 33.898 1.00 0.00 C HETATM 839 NG2 IMT A 106 38.120 32.500 33.497 1.00 0.00 N HETATM 840 CD IMT A 106 39.310 32.762 34.323 1.00 0.00 C HETATM 841 C IMT A 106 36.507 31.969 35.361 1.00 0.00 C HETATM 842 O IMT A 106 37.330 32.123 36.257 1.00 0.00 O HETATM 0 HN2 IMT A 106 35.301 32.297 30.310 1.00 0.00 H new HETATM 0 HD3 IMT A 106 40.110 32.079 34.036 1.00 0.00 H new HETATM 0 HD2 IMT A 106 39.639 33.790 34.172 1.00 0.00 H new HETATM 0 HD1 IMT A 106 39.064 32.611 35.374 1.00 0.00 H new HETATM 0 HB IMT A 106 38.911 32.841 31.462 1.00 0.00 H new HETATM 848 N PYB A 107 35.198 31.580 35.649 1.00 0.00 N HETATM 849 CA PYB A 107 34.640 31.378 36.913 1.00 0.00 C HETATM 850 CB1 PYB A 107 33.359 30.816 37.180 1.00 0.00 C HETATM 851 CB PYB A 107 35.230 31.701 38.106 1.00 0.00 C HETATM 852 CG1 PYB A 107 33.203 30.773 38.551 1.00 0.00 C HETATM 853 NG2 PYB A 107 34.378 31.292 39.117 1.00 0.00 N HETATM 854 CD PYB A 107 34.752 31.387 40.537 1.00 0.00 C HETATM 855 C PYB A 107 32.056 30.366 39.418 1.00 0.00 C HETATM 856 O PYB A 107 32.116 30.466 40.636 1.00 0.00 O HETATM 0 HD3 PYB A 107 35.647 30.792 40.718 1.00 0.00 H new HETATM 0 HD2 PYB A 107 34.950 32.428 40.792 1.00 0.00 H new HETATM 0 HD1 PYB A 107 33.936 31.011 41.154 1.00 0.00 H new HETATM 0 HB1 PYB A 107 32.634 30.481 36.438 1.00 0.00 H new HETATM 0 HB PYB A 107 36.195 32.191 38.236 1.00 0.00 H new HETATM 0 H PYB A 107 34.676 31.316 34.813 1.00 0.00 H new HETATM 863 N PYB A 108 30.906 29.871 38.810 1.00 0.00 N HETATM 864 CA PYB A 108 29.688 29.668 39.472 1.00 0.00 C HETATM 865 CB1 PYB A 108 28.599 28.851 39.057 1.00 0.00 C HETATM 866 CB PYB A 108 29.350 30.251 40.665 1.00 0.00 C HETATM 867 CG1 PYB A 108 27.648 28.878 40.062 1.00 0.00 C HETATM 868 NG2 PYB A 108 28.110 29.770 41.041 1.00 0.00 N HETATM 869 CD PYB A 108 27.454 30.209 42.284 1.00 0.00 C HETATM 870 C PYB A 108 26.334 28.182 40.229 1.00 0.00 C HETATM 871 O PYB A 108 25.656 28.327 41.236 1.00 0.00 O HETATM 0 HD3 PYB A 108 28.084 29.957 43.137 1.00 0.00 H new HETATM 0 HD2 PYB A 108 27.300 31.288 42.253 1.00 0.00 H new HETATM 0 HD1 PYB A 108 26.491 29.708 42.384 1.00 0.00 H new HETATM 0 HB1 PYB A 108 28.527 28.303 38.117 1.00 0.00 H new HETATM 0 HB PYB A 108 29.954 30.969 41.221 1.00 0.00 H new HETATM 0 H PYB A 108 31.088 29.403 37.922 1.00 0.00 H new HETATM 878 N PYB A 109 25.905 27.348 39.205 1.00 0.00 N HETATM 879 CA PYB A 109 24.674 26.681 39.150 1.00 0.00 C HETATM 880 CB1 PYB A 109 24.261 25.827 38.101 1.00 0.00 C HETATM 881 CB PYB A 109 23.647 26.748 40.063 1.00 0.00 C HETATM 882 CG1 PYB A 109 22.982 25.396 38.377 1.00 0.00 C HETATM 883 NG2 PYB A 109 22.613 25.942 39.607 1.00 0.00 N HETATM 884 CD PYB A 109 21.368 25.710 40.354 1.00 0.00 C HETATM 885 C PYB A 109 22.063 24.557 37.565 1.00 0.00 C HETATM 886 O PYB A 109 20.895 24.316 37.831 1.00 0.00 O HETATM 0 HD3 PYB A 109 21.601 25.255 41.317 1.00 0.00 H new HETATM 0 HD2 PYB A 109 20.858 26.660 40.516 1.00 0.00 H new HETATM 0 HD1 PYB A 109 20.721 25.043 39.784 1.00 0.00 H new HETATM 0 HB1 PYB A 109 24.852 25.557 37.226 1.00 0.00 H new HETATM 0 HB PYB A 109 23.646 27.332 40.983 1.00 0.00 H new HETATM 0 H PYB A 109 26.581 27.234 38.450 1.00 0.00 H new HETATM 893 C01 9T8 A 110 13.564 24.561 32.337 1.00 0.00 C HETATM 894 N02 9T8 A 110 19.112 23.432 34.296 1.00 0.00 N HETATM 895 C03 9T8 A 110 15.561 23.128 32.770 1.00 0.00 C HETATM 896 C05 9T8 A 110 17.664 23.670 34.181 1.00 0.00 C HETATM 897 C06 9T8 A 110 20.072 24.422 34.289 1.00 0.00 C HETATM 898 C07 9T8 A 110 21.510 23.926 34.200 1.00 0.00 C HETATM 899 C04 9T8 A 110 17.087 22.944 32.948 1.00 0.00 C HETATM 900 N01 9T8 A 110 15.079 24.567 32.565 1.00 0.00 N HETATM 901 C02 9T8 A 110 15.755 25.201 31.345 1.00 0.00 C HETATM 902 N03 9T8 A 110 22.647 24.061 36.428 1.00 0.00 N HETATM 903 C08 9T8 A 110 21.981 23.178 35.465 1.00 0.00 C HETATM 904 O01 9T8 A 110 19.780 25.605 34.309 1.00 0.00 O