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= -0.548 (180deg=-0.548) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.116 (180deg=-0.116) 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= -0.0633 (180deg=-0.0633) USER MOD Single : B 18 DT C7 :methyl -30:sc= -1.93! (180deg=-2.13!) USER MOD Single : B 22 DT C7 :methyl 150:sc= -0.217 (180deg=-0.217) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 DCZ A 1 30.767 12.704 29.090 1.00 0.00 N HETATM 2 C2 DCZ A 1 31.217 12.032 30.243 1.00 0.00 C HETATM 3 N3 DCZ A 1 31.756 12.713 31.286 1.00 0.00 N HETATM 4 C4 DCZ A 1 31.839 14.023 31.200 1.00 0.00 C HETATM 5 C5 DCZ A 1 31.394 14.769 30.077 1.00 0.00 C HETATM 6 C6 DCZ A 1 30.865 14.079 29.034 1.00 0.00 C HETATM 7 O2 DCZ A 1 31.140 10.804 30.356 1.00 0.00 O HETATM 8 N4 DCZ A 1 32.392 14.619 32.219 1.00 0.00 N HETATM 9 C1' DCZ A 1 30.287 11.871 27.943 1.00 0.00 C HETATM 10 C2' DCZ A 1 29.373 12.537 26.909 1.00 0.00 C HETATM 11 C3' DCZ A 1 29.433 11.518 25.774 1.00 0.00 C HETATM 12 C4' DCZ A 1 30.868 10.974 25.910 1.00 0.00 C HETATM 13 O4' DCZ A 1 31.382 11.451 27.152 1.00 0.00 O HETATM 14 O3' DCZ A 1 28.461 10.498 25.983 1.00 0.00 O HETATM 15 C5' DCZ A 1 31.798 11.397 24.759 1.00 0.00 C HETATM 16 O5' DCZ A 1 31.940 12.814 24.649 1.00 0.00 O HETATM 0 HO51 DCZ A 1 32.541 13.026 23.905 1.00 0.00 H new HETATM 0 HN42 DCZ A 1 32.491 15.634 32.224 1.00 0.00 H new HETATM 0 HN41 DCZ A 1 32.726 14.070 33.011 1.00 0.00 H new HETATM 0 H5'2 DCZ A 1 32.780 10.949 24.910 1.00 0.00 H new HETATM 0 H5'1 DCZ A 1 31.408 11.002 23.821 1.00 0.00 H new HETATM 0 H2'2 DCZ A 1 28.359 12.678 27.284 1.00 0.00 H new HETATM 0 H2'1 DCZ A 1 29.740 13.517 26.604 1.00 0.00 H new HETATM 0 H6 DCZ A 1 30.517 14.613 28.150 1.00 0.00 H new HETATM 0 H5 DCZ A 1 31.474 15.856 30.053 1.00 0.00 H new HETATM 0 H4' DCZ A 1 30.830 9.885 25.871 1.00 0.00 H new HETATM 0 H3' DCZ A 1 29.221 11.924 24.785 1.00 0.00 H new HETATM 0 H1' DCZ A 1 29.729 11.094 28.466 1.00 0.00 H new ATOM 29 P DG A 2 27.132 10.412 25.073 1.00 0.00 P ATOM 30 OP1 DG A 2 26.350 9.240 25.539 1.00 0.00 O ATOM 31 OP2 DG A 2 27.527 10.492 23.644 1.00 0.00 O ATOM 32 O5' DG A 2 26.333 11.754 25.464 1.00 0.00 O ATOM 33 C5' DG A 2 24.969 11.950 25.104 1.00 0.00 C ATOM 34 C4' DG A 2 24.406 13.271 25.655 1.00 0.00 C ATOM 35 O4' DG A 2 24.511 13.280 27.080 1.00 0.00 O ATOM 36 C3' DG A 2 25.156 14.515 25.138 1.00 0.00 C ATOM 37 O3' DG A 2 24.283 15.601 24.865 1.00 0.00 O ATOM 38 C2' DG A 2 26.008 14.882 26.342 1.00 0.00 C ATOM 39 C1' DG A 2 25.045 14.532 27.477 1.00 0.00 C ATOM 40 N9 DG A 2 25.694 14.463 28.813 1.00 0.00 N ATOM 41 C8 DG A 2 27.027 14.569 29.142 1.00 0.00 C ATOM 42 N7 DG A 2 27.283 14.456 30.418 1.00 0.00 N ATOM 43 C5 DG A 2 26.015 14.283 30.990 1.00 0.00 C ATOM 44 C6 DG A 2 25.601 14.133 32.361 1.00 0.00 C ATOM 45 O6 DG A 2 26.287 14.105 33.385 1.00 0.00 O ATOM 46 N1 DG A 2 24.236 14.007 32.515 1.00 0.00 N ATOM 47 C2 DG A 2 23.356 14.027 31.489 1.00 0.00 C ATOM 48 N2 DG A 2 22.091 13.913 31.789 1.00 0.00 N ATOM 49 N3 DG A 2 23.687 14.168 30.207 1.00 0.00 N ATOM 50 C4 DG A 2 25.038 14.290 30.015 1.00 0.00 C ATOM 0 H5' DG A 2 24.373 11.118 25.480 1.00 0.00 H new ATOM 0 H5'' DG A 2 24.877 11.943 24.018 1.00 0.00 H new ATOM 0 H4' DG A 2 23.371 13.322 25.316 1.00 0.00 H new ATOM 0 H3' DG A 2 25.693 14.317 24.210 1.00 0.00 H new ATOM 0 H2' DG A 2 26.932 14.305 26.388 1.00 0.00 H new ATOM 0 H2'' DG A 2 26.289 15.935 26.346 1.00 0.00 H new ATOM 0 H1' DG A 2 24.286 15.303 27.613 1.00 0.00 H new ATOM 0 H8 DG A 2 27.799 14.732 28.404 1.00 0.00 H new ATOM 0 H1 DG A 2 23.869 13.892 33.460 1.00 0.00 H new ATOM 0 H21 DG A 2 21.389 13.923 31.049 1.00 0.00 H new ATOM 0 H22 DG A 2 21.805 13.814 32.763 1.00 0.00 H new ATOM 62 P DA A 3 23.665 15.828 23.401 1.00 0.00 P ATOM 63 OP1 DA A 3 23.088 14.547 22.922 1.00 0.00 O ATOM 64 OP2 DA A 3 24.695 16.503 22.572 1.00 0.00 O ATOM 65 O5' DA A 3 22.463 16.874 23.654 1.00 0.00 O ATOM 66 C5' DA A 3 21.282 16.514 24.369 1.00 0.00 C ATOM 67 C4' DA A 3 21.151 17.213 25.734 1.00 0.00 C ATOM 68 O4' DA A 3 22.164 16.821 26.655 1.00 0.00 O ATOM 69 C3' DA A 3 21.219 18.756 25.645 1.00 0.00 C ATOM 70 O3' DA A 3 19.997 19.512 25.656 1.00 0.00 O ATOM 71 C2' DA A 3 22.144 19.132 26.805 1.00 0.00 C ATOM 72 C1' DA A 3 22.223 17.846 27.627 1.00 0.00 C ATOM 73 N9 DA A 3 23.440 17.747 28.464 1.00 0.00 N ATOM 74 C8 DA A 3 24.758 17.870 28.091 1.00 0.00 C ATOM 75 N7 DA A 3 25.606 17.813 29.087 1.00 0.00 N ATOM 76 C5 DA A 3 24.770 17.655 30.206 1.00 0.00 C ATOM 77 C6 DA A 3 24.968 17.572 31.608 1.00 0.00 C ATOM 78 N6 DA A 3 26.132 17.631 32.222 1.00 0.00 N ATOM 79 N1 DA A 3 23.941 17.444 32.447 1.00 0.00 N ATOM 80 C2 DA A 3 22.722 17.369 31.932 1.00 0.00 C ATOM 81 N3 DA A 3 22.377 17.421 30.652 1.00 0.00 N ATOM 82 C4 DA A 3 23.455 17.583 29.831 1.00 0.00 C ATOM 0 H5' DA A 3 21.274 15.435 24.521 1.00 0.00 H new ATOM 0 H5'' DA A 3 20.411 16.757 23.761 1.00 0.00 H new ATOM 0 H4' DA A 3 20.167 16.899 26.083 1.00 0.00 H new ATOM 0 H3' DA A 3 21.570 19.029 24.650 1.00 0.00 H new ATOM 0 H2' DA A 3 23.127 19.443 26.451 1.00 0.00 H new ATOM 0 H2'' DA A 3 21.740 19.958 27.390 1.00 0.00 H new ATOM 0 H1' DA A 3 21.416 17.791 28.358 1.00 0.00 H new ATOM 0 H8 DA A 3 25.067 18.002 27.065 1.00 0.00 H new ATOM 0 H61 DA A 3 26.176 17.562 33.239 1.00 0.00 H new ATOM 0 H62 DA A 3 26.989 17.746 31.681 1.00 0.00 H new ATOM 0 H2 DA A 3 21.913 17.252 32.638 1.00 0.00 H new ATOM 94 P DT A 4 18.680 19.157 26.531 1.00 0.00 P ATOM 95 OP1 DT A 4 18.064 17.935 25.958 1.00 0.00 O ATOM 96 OP2 DT A 4 17.848 20.381 26.609 1.00 0.00 O ATOM 97 O5' DT A 4 19.262 18.783 27.994 1.00 0.00 O ATOM 98 C5' DT A 4 18.815 19.376 29.210 1.00 0.00 C ATOM 99 C4' DT A 4 19.714 20.480 29.798 1.00 0.00 C ATOM 100 O4' DT A 4 21.058 20.071 30.010 1.00 0.00 O ATOM 101 C3' DT A 4 19.887 21.762 28.983 1.00 0.00 C ATOM 102 O3' DT A 4 18.740 22.592 29.076 1.00 0.00 O ATOM 103 C2' DT A 4 21.109 22.381 29.682 1.00 0.00 C ATOM 104 C1' DT A 4 21.732 21.224 30.473 1.00 0.00 C ATOM 105 N1 DT A 4 23.221 21.124 30.409 1.00 0.00 N ATOM 106 C2 DT A 4 23.913 21.006 31.624 1.00 0.00 C ATOM 107 O2 DT A 4 23.374 20.981 32.726 1.00 0.00 O ATOM 108 N3 DT A 4 25.281 20.926 31.562 1.00 0.00 N ATOM 109 C4 DT A 4 26.040 20.938 30.417 1.00 0.00 C ATOM 110 O4 DT A 4 27.259 20.802 30.525 1.00 0.00 O ATOM 111 C5 DT A 4 25.271 21.106 29.182 1.00 0.00 C ATOM 112 C7 DT A 4 25.987 21.183 27.845 1.00 0.00 C ATOM 113 C6 DT A 4 23.912 21.191 29.214 1.00 0.00 C ATOM 0 H5' DT A 4 18.707 18.589 29.956 1.00 0.00 H new ATOM 0 H5'' DT A 4 17.823 19.795 29.043 1.00 0.00 H new ATOM 0 H4' DT A 4 19.148 20.678 30.709 1.00 0.00 H new ATOM 0 H3' DT A 4 20.016 21.610 27.911 1.00 0.00 H new ATOM 0 H2' DT A 4 21.814 22.791 28.958 1.00 0.00 H new ATOM 0 H2'' DT A 4 20.817 23.199 30.341 1.00 0.00 H new ATOM 0 H1' DT A 4 21.595 21.379 31.543 1.00 0.00 H new ATOM 0 H3 DT A 4 25.781 20.851 32.448 1.00 0.00 H new ATOM 0 H71 DT A 4 25.342 20.783 27.063 1.00 0.00 H new ATOM 0 H72 DT A 4 26.228 22.222 27.621 1.00 0.00 H new ATOM 0 H73 DT A 4 26.906 20.599 27.890 1.00 0.00 H new ATOM 0 H6 DT A 4 23.365 21.313 28.290 1.00 0.00 H new ATOM 126 P DG A 5 18.579 23.924 28.180 1.00 0.00 P ATOM 127 OP1 DG A 5 17.192 24.424 28.356 1.00 0.00 O ATOM 128 OP2 DG A 5 19.089 23.674 26.809 1.00 0.00 O ATOM 129 O5' DG A 5 19.595 24.949 28.890 1.00 0.00 O ATOM 130 C5' DG A 5 19.309 25.544 30.147 1.00 0.00 C ATOM 131 C4' DG A 5 20.489 26.380 30.665 1.00 0.00 C ATOM 132 O4' DG A 5 21.606 25.575 31.017 1.00 0.00 O ATOM 133 C3' DG A 5 21.057 27.348 29.616 1.00 0.00 C ATOM 134 O3' DG A 5 20.339 28.552 29.312 1.00 0.00 O ATOM 135 C2' DG A 5 22.482 27.582 30.115 1.00 0.00 C ATOM 136 C1' DG A 5 22.732 26.434 31.102 1.00 0.00 C ATOM 137 N9 DG A 5 23.988 25.676 30.864 1.00 0.00 N ATOM 138 C8 DG A 5 24.392 24.962 29.760 1.00 0.00 C ATOM 139 N7 DG A 5 25.553 24.368 29.900 1.00 0.00 N ATOM 140 C5 DG A 5 25.961 24.726 31.196 1.00 0.00 C ATOM 141 C6 DG A 5 27.140 24.415 31.975 1.00 0.00 C ATOM 142 O6 DG A 5 28.120 23.729 31.682 1.00 0.00 O ATOM 143 N1 DG A 5 27.139 24.984 33.235 1.00 0.00 N ATOM 144 C2 DG A 5 26.147 25.773 33.700 1.00 0.00 C ATOM 145 N2 DG A 5 26.263 26.262 34.900 1.00 0.00 N ATOM 146 N3 DG A 5 25.053 26.087 33.020 1.00 0.00 N ATOM 147 C4 DG A 5 25.008 25.533 31.776 1.00 0.00 C ATOM 0 H5' DG A 5 19.070 24.766 30.871 1.00 0.00 H new ATOM 0 H5'' DG A 5 18.427 26.178 30.057 1.00 0.00 H new ATOM 0 H4' DG A 5 20.062 26.910 31.516 1.00 0.00 H new ATOM 0 H3' DG A 5 20.980 26.898 28.626 1.00 0.00 H new ATOM 0 H2' DG A 5 23.199 27.564 29.294 1.00 0.00 H new ATOM 0 H2'' DG A 5 22.579 28.553 30.601 1.00 0.00 H new ATOM 0 H1' DG A 5 22.861 26.858 32.098 1.00 0.00 H new ATOM 0 H8 DG A 5 23.804 24.896 28.856 1.00 0.00 H new ATOM 0 H1 DG A 5 27.933 24.797 33.848 1.00 0.00 H new ATOM 0 H21 DG A 5 25.530 26.862 35.279 1.00 0.00 H new ATOM 0 H22 DG A 5 27.087 26.046 35.461 1.00 0.00 H new ATOM 159 P DT A 6 19.533 29.478 30.375 1.00 0.00 P ATOM 160 OP1 DT A 6 18.450 28.672 30.987 1.00 0.00 O ATOM 161 OP2 DT A 6 19.158 30.720 29.655 1.00 0.00 O ATOM 162 O5' DT A 6 20.591 29.896 31.518 1.00 0.00 O ATOM 163 C5' DT A 6 20.443 29.506 32.878 1.00 0.00 C ATOM 164 C4' DT A 6 21.607 30.008 33.737 1.00 0.00 C ATOM 165 O4' DT A 6 22.811 29.409 33.297 1.00 0.00 O ATOM 166 C3' DT A 6 21.810 31.531 33.694 1.00 0.00 C ATOM 167 O3' DT A 6 21.455 32.101 34.951 1.00 0.00 O ATOM 168 C2' DT A 6 23.297 31.674 33.339 1.00 0.00 C ATOM 169 C1' DT A 6 23.877 30.284 33.603 1.00 0.00 C ATOM 170 N1 DT A 6 25.047 29.877 32.774 1.00 0.00 N ATOM 171 C2 DT A 6 26.196 29.412 33.431 1.00 0.00 C ATOM 172 O2 DT A 6 26.457 29.639 34.613 1.00 0.00 O ATOM 173 N3 DT A 6 27.085 28.680 32.678 1.00 0.00 N ATOM 174 C4 DT A 6 26.938 28.374 31.346 1.00 0.00 C ATOM 175 O4 DT A 6 27.712 27.569 30.834 1.00 0.00 O ATOM 176 C5 DT A 6 25.836 29.060 30.679 1.00 0.00 C ATOM 177 C7 DT A 6 25.681 28.950 29.171 1.00 0.00 C ATOM 178 C6 DT A 6 24.936 29.778 31.401 1.00 0.00 C ATOM 0 H5' DT A 6 20.385 28.419 32.941 1.00 0.00 H new ATOM 0 H5'' DT A 6 19.505 29.899 33.270 1.00 0.00 H new ATOM 0 H4' DT A 6 21.353 29.735 34.761 1.00 0.00 H new ATOM 0 H3' DT A 6 21.186 32.060 32.973 1.00 0.00 H new ATOM 0 H2' DT A 6 23.432 31.972 32.299 1.00 0.00 H new ATOM 0 H2'' DT A 6 23.783 32.432 33.953 1.00 0.00 H new ATOM 0 H1' DT A 6 24.254 30.266 34.625 1.00 0.00 H new ATOM 0 H3 DT A 6 27.923 28.336 33.147 1.00 0.00 H new ATOM 0 H71 DT A 6 24.626 29.027 28.907 1.00 0.00 H new ATOM 0 H72 DT A 6 26.235 29.755 28.689 1.00 0.00 H new ATOM 0 H73 DT A 6 26.070 27.989 28.834 1.00 0.00 H new ATOM 0 H6 DT A 6 24.123 30.278 30.895 1.00 0.00 H new ATOM 191 P DA A 7 21.216 33.690 35.144 1.00 0.00 P ATOM 192 OP1 DA A 7 20.336 33.881 36.325 1.00 0.00 O ATOM 193 OP2 DA A 7 20.807 34.286 33.848 1.00 0.00 O ATOM 194 O5' DA A 7 22.686 34.232 35.512 1.00 0.00 O ATOM 195 C5' DA A 7 23.272 33.898 36.763 1.00 0.00 C ATOM 196 C4' DA A 7 24.783 34.147 36.821 1.00 0.00 C ATOM 197 O4' DA A 7 25.455 33.337 35.868 1.00 0.00 O ATOM 198 C3' DA A 7 25.218 35.603 36.601 1.00 0.00 C ATOM 199 O3' DA A 7 25.903 36.060 37.762 1.00 0.00 O ATOM 200 C2' DA A 7 26.107 35.492 35.361 1.00 0.00 C ATOM 201 C1' DA A 7 26.581 34.041 35.390 1.00 0.00 C ATOM 202 N9 DA A 7 26.906 33.492 34.055 1.00 0.00 N ATOM 203 C8 DA A 7 26.114 33.516 32.931 1.00 0.00 C ATOM 204 N7 DA A 7 26.567 32.811 31.930 1.00 0.00 N ATOM 205 C5 DA A 7 27.781 32.314 32.432 1.00 0.00 C ATOM 206 C6 DA A 7 28.796 31.480 31.911 1.00 0.00 C ATOM 207 N6 DA A 7 28.762 30.946 30.708 1.00 0.00 N ATOM 208 N1 DA A 7 29.872 31.153 32.630 1.00 0.00 N ATOM 209 C2 DA A 7 29.959 31.647 33.859 1.00 0.00 C ATOM 210 N3 DA A 7 29.089 32.427 34.496 1.00 0.00 N ATOM 211 C4 DA A 7 28.005 32.728 33.720 1.00 0.00 C ATOM 0 H5' DA A 7 23.077 32.847 36.976 1.00 0.00 H new ATOM 0 H5'' DA A 7 22.787 34.478 37.548 1.00 0.00 H new ATOM 0 H4' DA A 7 25.058 33.889 37.844 1.00 0.00 H new ATOM 0 H3' DA A 7 24.415 36.324 36.448 1.00 0.00 H new ATOM 0 H2' DA A 7 25.553 35.715 34.449 1.00 0.00 H new ATOM 0 H2'' DA A 7 26.944 36.189 35.404 1.00 0.00 H new ATOM 0 H1' DA A 7 27.490 33.959 35.986 1.00 0.00 H new ATOM 0 H8 DA A 7 25.191 34.074 32.880 1.00 0.00 H new ATOM 0 H61 DA A 7 29.528 30.352 30.392 1.00 0.00 H new ATOM 0 H62 DA A 7 27.969 31.126 30.092 1.00 0.00 H new ATOM 0 H2 DA A 7 30.848 31.382 34.412 1.00 0.00 H new ATOM 223 P DC A 8 26.410 37.583 37.942 1.00 0.00 P ATOM 224 OP1 DC A 8 26.471 37.875 39.396 1.00 0.00 O ATOM 225 OP2 DC A 8 25.602 38.471 37.068 1.00 0.00 O ATOM 226 O5' DC A 8 27.914 37.535 37.367 1.00 0.00 O ATOM 227 C5' DC A 8 28.918 36.789 38.047 1.00 0.00 C ATOM 228 C4' DC A 8 30.227 36.653 37.260 1.00 0.00 C ATOM 229 O4' DC A 8 30.000 35.926 36.058 1.00 0.00 O ATOM 230 C3' DC A 8 30.870 37.999 36.885 1.00 0.00 C ATOM 231 O3' DC A 8 32.224 38.039 37.329 1.00 0.00 O ATOM 232 C2' DC A 8 30.726 38.006 35.363 1.00 0.00 C ATOM 233 C1' DC A 8 30.764 36.512 35.023 1.00 0.00 C ATOM 234 N1 DC A 8 30.137 36.134 33.725 1.00 0.00 N ATOM 235 C2 DC A 8 30.796 35.248 32.855 1.00 0.00 C ATOM 236 O2 DC A 8 31.935 34.826 33.074 1.00 0.00 O ATOM 237 N3 DC A 8 30.195 34.823 31.714 1.00 0.00 N ATOM 238 C4 DC A 8 28.976 35.252 31.454 1.00 0.00 C ATOM 239 N4 DC A 8 28.430 34.819 30.357 1.00 0.00 N ATOM 240 C5 DC A 8 28.249 36.127 32.297 1.00 0.00 C ATOM 241 C6 DC A 8 28.865 36.556 33.422 1.00 0.00 C ATOM 0 H5' DC A 8 28.532 35.794 38.267 1.00 0.00 H new ATOM 0 H5'' DC A 8 29.128 37.268 39.004 1.00 0.00 H new ATOM 0 H4' DC A 8 30.915 36.130 37.925 1.00 0.00 H new ATOM 0 H3' DC A 8 30.414 38.877 37.344 1.00 0.00 H new ATOM 0 H2' DC A 8 29.793 38.472 35.045 1.00 0.00 H new ATOM 0 H2'' DC A 8 31.536 38.553 34.881 1.00 0.00 H new ATOM 0 H1' DC A 8 31.801 36.189 34.936 1.00 0.00 H new ATOM 0 H41 DC A 8 27.488 35.117 30.104 1.00 0.00 H new ATOM 0 H42 DC A 8 28.944 34.181 29.749 1.00 0.00 H new ATOM 0 H5 DC A 8 27.244 36.439 32.052 1.00 0.00 H new ATOM 0 H6 DC A 8 28.353 37.236 34.087 1.00 0.00 H new ATOM 253 P DA A 9 33.084 39.409 37.355 1.00 0.00 P ATOM 254 OP1 DA A 9 34.186 39.242 38.336 1.00 0.00 O ATOM 255 OP2 DA A 9 32.161 40.561 37.512 1.00 0.00 O ATOM 256 O5' DA A 9 33.718 39.473 35.877 1.00 0.00 O ATOM 257 C5' DA A 9 34.752 38.577 35.490 1.00 0.00 C ATOM 258 C4' DA A 9 34.829 38.378 33.972 1.00 0.00 C ATOM 259 O4' DA A 9 33.623 37.826 33.464 1.00 0.00 O ATOM 260 C3' DA A 9 35.073 39.651 33.156 1.00 0.00 C ATOM 261 O3' DA A 9 36.466 39.917 33.025 1.00 0.00 O ATOM 262 C2' DA A 9 34.407 39.303 31.820 1.00 0.00 C ATOM 263 C1' DA A 9 33.704 37.973 32.064 1.00 0.00 C ATOM 264 N9 DA A 9 32.388 37.920 31.407 1.00 0.00 N ATOM 265 C8 DA A 9 31.244 38.620 31.705 1.00 0.00 C ATOM 266 N7 DA A 9 30.260 38.420 30.864 1.00 0.00 N ATOM 267 C5 DA A 9 30.824 37.534 29.928 1.00 0.00 C ATOM 268 C6 DA A 9 30.376 36.904 28.740 1.00 0.00 C ATOM 269 N6 DA A 9 29.180 37.043 28.203 1.00 0.00 N ATOM 270 N1 DA A 9 31.173 36.096 28.042 1.00 0.00 N ATOM 271 C2 DA A 9 32.403 35.892 28.495 1.00 0.00 C ATOM 272 N3 DA A 9 32.969 36.398 29.581 1.00 0.00 N ATOM 273 C4 DA A 9 32.115 37.219 30.258 1.00 0.00 C ATOM 0 H5' DA A 9 34.589 37.612 35.970 1.00 0.00 H new ATOM 0 H5'' DA A 9 35.708 38.955 35.851 1.00 0.00 H new ATOM 0 H4' DA A 9 35.686 37.715 33.856 1.00 0.00 H new ATOM 0 H3' DA A 9 34.672 40.560 33.605 1.00 0.00 H new ATOM 0 H2' DA A 9 33.698 40.075 31.520 1.00 0.00 H new ATOM 0 H2'' DA A 9 35.144 39.219 31.022 1.00 0.00 H new ATOM 0 H1' DA A 9 34.259 37.143 31.626 1.00 0.00 H new ATOM 0 H8 DA A 9 31.163 39.278 32.558 1.00 0.00 H new ATOM 0 H61 DA A 9 28.947 36.548 27.342 1.00 0.00 H new ATOM 0 H62 DA A 9 28.488 37.646 28.648 1.00 0.00 H new ATOM 0 H2 DA A 9 33.020 35.231 27.905 1.00 0.00 H new ATOM 285 P DT A 10 37.029 41.212 32.239 1.00 0.00 P ATOM 286 OP1 DT A 10 38.451 41.392 32.625 1.00 0.00 O ATOM 287 OP2 DT A 10 36.085 42.340 32.447 1.00 0.00 O ATOM 288 O5' DT A 10 36.965 40.779 30.685 1.00 0.00 O ATOM 289 C5' DT A 10 37.852 39.802 30.148 1.00 0.00 C ATOM 290 C4' DT A 10 37.502 39.398 28.707 1.00 0.00 C ATOM 291 O4' DT A 10 36.251 38.723 28.622 1.00 0.00 O ATOM 292 C3' DT A 10 37.346 40.581 27.749 1.00 0.00 C ATOM 293 O3' DT A 10 38.578 41.126 27.300 1.00 0.00 O ATOM 294 C2' DT A 10 36.626 39.894 26.595 1.00 0.00 C ATOM 295 C1' DT A 10 35.787 38.813 27.279 1.00 0.00 C ATOM 296 N1 DT A 10 34.334 39.120 27.215 1.00 0.00 N ATOM 297 C2 DT A 10 33.617 38.625 26.117 1.00 0.00 C ATOM 298 O2 DT A 10 34.131 38.009 25.184 1.00 0.00 O ATOM 299 N3 DT A 10 32.269 38.886 26.094 1.00 0.00 N ATOM 300 C4 DT A 10 31.576 39.632 27.017 1.00 0.00 C ATOM 301 O4 DT A 10 30.360 39.740 26.878 1.00 0.00 O ATOM 302 C5 DT A 10 32.402 40.216 28.078 1.00 0.00 C ATOM 303 C7 DT A 10 31.786 41.136 29.119 1.00 0.00 C ATOM 304 C6 DT A 10 33.733 39.941 28.146 1.00 0.00 C ATOM 0 H5' DT A 10 37.834 38.916 30.782 1.00 0.00 H new ATOM 0 H5'' DT A 10 38.870 40.191 30.173 1.00 0.00 H new ATOM 0 H4' DT A 10 38.346 38.768 28.425 1.00 0.00 H new ATOM 0 H3' DT A 10 36.841 41.434 28.203 1.00 0.00 H new ATOM 0 H2' DT A 10 36.001 40.594 26.040 1.00 0.00 H new ATOM 0 H2'' DT A 10 37.331 39.463 25.884 1.00 0.00 H new ATOM 0 H1' DT A 10 35.903 37.857 26.769 1.00 0.00 H new ATOM 0 H3 DT A 10 31.733 38.490 25.322 1.00 0.00 H new ATOM 0 H71 DT A 10 32.335 41.044 30.056 1.00 0.00 H new ATOM 0 H72 DT A 10 31.836 42.167 28.768 1.00 0.00 H new ATOM 0 H73 DT A 10 30.745 40.857 29.280 1.00 0.00 H new ATOM 0 H6 DT A 10 34.326 40.371 28.939 1.00 0.00 H new ATOM 317 P DC A 11 38.704 42.691 26.944 1.00 0.00 P ATOM 318 OP1 DC A 11 40.063 42.923 26.391 1.00 0.00 O ATOM 319 OP2 DC A 11 38.275 43.478 28.126 1.00 0.00 O ATOM 320 O5' DC A 11 37.615 42.917 25.773 1.00 0.00 O ATOM 321 C5' DC A 11 37.845 42.512 24.426 1.00 0.00 C ATOM 322 C4' DC A 11 36.656 42.831 23.501 1.00 0.00 C ATOM 323 O4' DC A 11 35.491 42.079 23.826 1.00 0.00 O ATOM 324 C3' DC A 11 36.171 44.284 23.607 1.00 0.00 C ATOM 325 O3' DC A 11 36.965 45.332 23.035 1.00 0.00 O ATOM 326 C2' DC A 11 34.745 44.191 23.071 1.00 0.00 C ATOM 327 C1' DC A 11 34.390 42.700 23.175 1.00 0.00 C ATOM 328 N1 DC A 11 33.108 42.491 23.910 1.00 0.00 N ATOM 329 C2 DC A 11 31.974 42.044 23.209 1.00 0.00 C ATOM 330 O2 DC A 11 32.030 41.649 22.044 1.00 0.00 O ATOM 331 N3 DC A 11 30.752 42.034 23.793 1.00 0.00 N ATOM 332 C4 DC A 11 30.648 42.462 25.033 1.00 0.00 C ATOM 333 N4 DC A 11 29.454 42.435 25.550 1.00 0.00 N ATOM 334 C5 DC A 11 31.755 42.913 25.803 1.00 0.00 C ATOM 335 C6 DC A 11 32.979 42.897 25.215 1.00 0.00 C ATOM 0 H5' DC A 11 38.043 41.440 24.401 1.00 0.00 H new ATOM 0 H5'' DC A 11 38.738 43.010 24.048 1.00 0.00 H new ATOM 0 H4' DC A 11 37.054 42.599 22.513 1.00 0.00 H new ATOM 0 H3' DC A 11 36.252 44.631 24.637 1.00 0.00 H new ATOM 0 H2' DC A 11 34.060 44.804 23.657 1.00 0.00 H new ATOM 0 H2'' DC A 11 34.685 44.542 22.041 1.00 0.00 H new ATOM 0 H1' DC A 11 34.227 42.261 22.191 1.00 0.00 H new ATOM 0 H41 DC A 11 29.306 42.753 26.508 1.00 0.00 H new ATOM 0 H42 DC A 11 28.667 42.095 24.998 1.00 0.00 H new ATOM 0 H5 DC A 11 31.627 43.256 26.819 1.00 0.00 H new ATOM 0 H6 DC A 11 33.851 43.204 25.774 1.00 0.00 H new ATOM 347 P DG A 12 37.627 45.344 21.551 1.00 0.00 P ATOM 348 OP1 DG A 12 38.556 44.193 21.437 1.00 0.00 O ATOM 349 OP2 DG A 12 38.175 46.708 21.349 1.00 0.00 O ATOM 350 O5' DG A 12 36.423 45.162 20.490 1.00 0.00 O ATOM 351 C5' DG A 12 36.257 43.979 19.713 1.00 0.00 C ATOM 352 C4' DG A 12 34.951 43.968 18.896 1.00 0.00 C ATOM 353 O4' DG A 12 33.816 43.780 19.744 1.00 0.00 O ATOM 354 C3' DG A 12 34.711 45.266 18.097 1.00 0.00 C ATOM 355 O3' DG A 12 34.182 44.989 16.802 1.00 0.00 O ATOM 356 C2' DG A 12 33.663 45.961 18.962 1.00 0.00 C ATOM 357 C1' DG A 12 32.838 44.753 19.406 1.00 0.00 C ATOM 358 N9 DG A 12 31.928 45.024 20.545 1.00 0.00 N ATOM 359 C8 DG A 12 32.162 45.756 21.686 1.00 0.00 C ATOM 360 N7 DG A 12 31.163 45.776 22.530 1.00 0.00 N ATOM 361 C5 DG A 12 30.167 45.035 21.877 1.00 0.00 C ATOM 362 C6 DG A 12 28.810 44.723 22.248 1.00 0.00 C ATOM 363 O6 DG A 12 28.187 45.016 23.271 1.00 0.00 O ATOM 364 N1 DG A 12 28.129 44.009 21.286 1.00 0.00 N ATOM 365 C2 DG A 12 28.663 43.630 20.102 1.00 0.00 C ATOM 366 N2 DG A 12 27.866 43.019 19.266 1.00 0.00 N ATOM 367 N3 DG A 12 29.911 43.883 19.715 1.00 0.00 N ATOM 368 C4 DG A 12 30.621 44.591 20.650 1.00 0.00 C ATOM 0 H5' DG A 12 36.272 43.113 20.374 1.00 0.00 H new ATOM 0 H5'' DG A 12 37.104 43.876 19.034 1.00 0.00 H new ATOM 0 H4' DG A 12 35.069 43.140 18.197 1.00 0.00 H new ATOM 0 H3' DG A 12 35.616 45.848 17.920 1.00 0.00 H new ATOM 0 H2' DG A 12 34.105 46.495 19.803 1.00 0.00 H new ATOM 0 H2'' DG A 12 33.073 46.685 18.400 1.00 0.00 H new ATOM 0 HO3' DG A 12 34.039 45.830 16.320 1.00 0.00 H new ATOM 0 H1' DG A 12 32.159 44.435 18.615 1.00 0.00 H new ATOM 0 H8 DG A 12 33.093 46.271 21.870 1.00 0.00 H new ATOM 0 H1 DG A 12 27.161 43.750 21.479 1.00 0.00 H new ATOM 0 H21 DG A 12 28.217 42.712 18.359 1.00 0.00 H new ATOM 0 H22 DG A 12 26.893 42.849 19.521 1.00 0.00 H new TER 381 DG A 12 HETATM 382 N1 DCZ B 13 23.726 41.586 21.421 1.00 0.00 N HETATM 383 C2 DCZ B 13 24.777 42.450 21.090 1.00 0.00 C HETATM 384 N3 DCZ B 13 25.504 43.062 22.055 1.00 0.00 N HETATM 385 C4 DCZ B 13 25.221 42.801 23.314 1.00 0.00 C HETATM 386 C5 DCZ B 13 24.211 41.888 23.717 1.00 0.00 C HETATM 387 C6 DCZ B 13 23.482 41.292 22.740 1.00 0.00 C HETATM 388 O2 DCZ B 13 25.097 42.676 19.921 1.00 0.00 O HETATM 389 N4 DCZ B 13 25.932 43.434 24.200 1.00 0.00 N HETATM 390 C1' DCZ B 13 22.923 40.967 20.329 1.00 0.00 C HETATM 391 C2' DCZ B 13 23.350 39.525 20.088 1.00 0.00 C HETATM 392 C3' DCZ B 13 22.095 38.925 19.476 1.00 0.00 C HETATM 393 C4' DCZ B 13 21.008 39.643 20.288 1.00 0.00 C HETATM 394 O4' DCZ B 13 21.537 40.918 20.652 1.00 0.00 O HETATM 395 O3' DCZ B 13 22.048 39.214 18.082 1.00 0.00 O HETATM 396 C5' DCZ B 13 20.629 38.875 21.568 1.00 0.00 C HETATM 397 O5' DCZ B 13 20.073 37.596 21.276 1.00 0.00 O HETATM 0 HO51 DCZ B 13 19.847 37.139 22.113 1.00 0.00 H new HETATM 0 HN42 DCZ B 13 25.765 43.278 25.194 1.00 0.00 H new HETATM 0 HN41 DCZ B 13 26.657 44.086 23.901 1.00 0.00 H new HETATM 0 H5'2 DCZ B 13 21.514 38.752 22.193 1.00 0.00 H new HETATM 0 H5'1 DCZ B 13 19.911 39.460 22.143 1.00 0.00 H new HETATM 0 H2'2 DCZ B 13 24.205 39.459 19.415 1.00 0.00 H new HETATM 0 H2'1 DCZ B 13 23.634 39.023 21.013 1.00 0.00 H new HETATM 0 H6 DCZ B 13 22.701 40.578 23.003 1.00 0.00 H new HETATM 0 H5 DCZ B 13 24.028 41.674 24.770 1.00 0.00 H new HETATM 0 H4' DCZ B 13 20.105 39.723 19.683 1.00 0.00 H new HETATM 0 H3' DCZ B 13 22.009 37.839 19.524 1.00 0.00 H new HETATM 0 H1' DCZ B 13 23.092 41.588 19.449 1.00 0.00 H new ATOM 410 P DG B 14 21.796 38.029 17.024 1.00 0.00 P ATOM 411 OP1 DG B 14 22.027 38.561 15.657 1.00 0.00 O ATOM 412 OP2 DG B 14 20.493 37.391 17.336 1.00 0.00 O ATOM 413 O5' DG B 14 22.972 36.991 17.404 1.00 0.00 O ATOM 414 C5' DG B 14 24.284 37.082 16.862 1.00 0.00 C ATOM 415 C4' DG B 14 25.354 36.536 17.821 1.00 0.00 C ATOM 416 O4' DG B 14 25.701 37.505 18.808 1.00 0.00 O ATOM 417 C3' DG B 14 24.960 35.250 18.578 1.00 0.00 C ATOM 418 O3' DG B 14 25.934 34.230 18.442 1.00 0.00 O ATOM 419 C2' DG B 14 24.950 35.731 20.026 1.00 0.00 C ATOM 420 C1' DG B 14 26.055 36.788 19.976 1.00 0.00 C ATOM 421 N9 DG B 14 26.133 37.649 21.185 1.00 0.00 N ATOM 422 C8 DG B 14 25.335 37.645 22.309 1.00 0.00 C ATOM 423 N7 DG B 14 25.663 38.532 23.210 1.00 0.00 N ATOM 424 C5 DG B 14 26.797 39.146 22.663 1.00 0.00 C ATOM 425 C6 DG B 14 27.670 40.163 23.189 1.00 0.00 C ATOM 426 O6 DG B 14 27.596 40.769 24.255 1.00 0.00 O ATOM 427 N1 DG B 14 28.738 40.455 22.367 1.00 0.00 N ATOM 428 C2 DG B 14 28.956 39.856 21.173 1.00 0.00 C ATOM 429 N2 DG B 14 30.044 40.191 20.535 1.00 0.00 N ATOM 430 N3 DG B 14 28.170 38.924 20.637 1.00 0.00 N ATOM 431 C4 DG B 14 27.100 38.604 21.432 1.00 0.00 C ATOM 0 H5' DG B 14 24.506 38.123 16.629 1.00 0.00 H new ATOM 0 H5'' DG B 14 24.325 36.529 15.923 1.00 0.00 H new ATOM 0 H4' DG B 14 26.189 36.298 17.162 1.00 0.00 H new ATOM 0 H3' DG B 14 24.025 34.822 18.216 1.00 0.00 H new ATOM 0 H2' DG B 14 23.987 36.151 20.317 1.00 0.00 H new ATOM 0 H2'' DG B 14 25.174 34.930 20.731 1.00 0.00 H new ATOM 0 H1' DG B 14 27.056 36.358 19.953 1.00 0.00 H new ATOM 0 H8 DG B 14 24.506 36.964 22.434 1.00 0.00 H new ATOM 0 H1 DG B 14 29.403 41.164 22.677 1.00 0.00 H new ATOM 0 H21 DG B 14 30.256 39.769 19.631 1.00 0.00 H new ATOM 0 H22 DG B 14 30.683 40.875 20.940 1.00 0.00 H new ATOM 443 P DA B 15 25.854 33.174 17.237 1.00 0.00 P ATOM 444 OP1 DA B 15 25.569 33.898 15.974 1.00 0.00 O ATOM 445 OP2 DA B 15 24.951 32.072 17.652 1.00 0.00 O ATOM 446 O5' DA B 15 27.351 32.588 17.157 1.00 0.00 O ATOM 447 C5' DA B 15 28.460 33.389 16.753 1.00 0.00 C ATOM 448 C4' DA B 15 29.408 33.773 17.903 1.00 0.00 C ATOM 449 O4' DA B 15 28.884 34.736 18.812 1.00 0.00 O ATOM 450 C3' DA B 15 29.819 32.581 18.777 1.00 0.00 C ATOM 451 O3' DA B 15 30.917 31.860 18.230 1.00 0.00 O ATOM 452 C2' DA B 15 30.165 33.270 20.097 1.00 0.00 C ATOM 453 C1' DA B 15 29.783 34.734 19.907 1.00 0.00 C ATOM 454 N9 DA B 15 29.234 35.302 21.156 1.00 0.00 N ATOM 455 C8 DA B 15 28.091 34.947 21.831 1.00 0.00 C ATOM 456 N7 DA B 15 27.912 35.586 22.958 1.00 0.00 N ATOM 457 C5 DA B 15 29.054 36.400 23.046 1.00 0.00 C ATOM 458 C6 DA B 15 29.553 37.340 23.985 1.00 0.00 C ATOM 459 N6 DA B 15 28.939 37.712 25.093 1.00 0.00 N ATOM 460 N1 DA B 15 30.718 37.951 23.798 1.00 0.00 N ATOM 461 C2 DA B 15 31.409 37.661 22.701 1.00 0.00 C ATOM 462 N3 DA B 15 31.077 36.817 21.731 1.00 0.00 N ATOM 463 C4 DA B 15 29.871 36.219 21.963 1.00 0.00 C ATOM 0 H5' DA B 15 28.086 34.300 16.285 1.00 0.00 H new ATOM 0 H5'' DA B 15 29.027 32.850 15.994 1.00 0.00 H new ATOM 0 H4' DA B 15 30.256 34.188 17.358 1.00 0.00 H new ATOM 0 H3' DA B 15 29.046 31.818 18.873 1.00 0.00 H new ATOM 0 H2' DA B 15 29.615 32.826 20.927 1.00 0.00 H new ATOM 0 H2'' DA B 15 31.226 33.168 20.326 1.00 0.00 H new ATOM 0 H1' DA B 15 30.633 35.380 19.686 1.00 0.00 H new ATOM 0 H8 DA B 15 27.400 34.204 21.462 1.00 0.00 H new ATOM 0 H61 DA B 15 29.374 38.396 25.712 1.00 0.00 H new ATOM 0 H62 DA B 15 28.030 37.315 25.330 1.00 0.00 H new ATOM 0 H2 DA B 15 32.353 38.172 22.584 1.00 0.00 H new ATOM 475 P DT B 16 31.461 30.493 18.902 1.00 0.00 P ATOM 476 OP1 DT B 16 32.359 29.832 17.923 1.00 0.00 O ATOM 477 OP2 DT B 16 30.304 29.733 19.440 1.00 0.00 O ATOM 478 O5' DT B 16 32.344 31.019 20.145 1.00 0.00 O ATOM 479 C5' DT B 16 33.544 31.758 19.940 1.00 0.00 C ATOM 480 C4' DT B 16 34.085 32.391 21.235 1.00 0.00 C ATOM 481 O4' DT B 16 33.197 33.360 21.774 1.00 0.00 O ATOM 482 C3' DT B 16 34.297 31.371 22.350 1.00 0.00 C ATOM 483 O3' DT B 16 35.541 30.707 22.176 1.00 0.00 O ATOM 484 C2' DT B 16 34.293 32.271 23.584 1.00 0.00 C ATOM 485 C1' DT B 16 33.418 33.464 23.174 1.00 0.00 C ATOM 486 N1 DT B 16 32.116 33.516 23.900 1.00 0.00 N ATOM 487 C2 DT B 16 32.017 34.395 24.985 1.00 0.00 C ATOM 488 O2 DT B 16 32.960 35.053 25.414 1.00 0.00 O ATOM 489 N3 DT B 16 30.792 34.501 25.596 1.00 0.00 N ATOM 490 C4 DT B 16 29.658 33.799 25.254 1.00 0.00 C ATOM 491 O4 DT B 16 28.611 34.046 25.852 1.00 0.00 O ATOM 492 C5 DT B 16 29.846 32.828 24.172 1.00 0.00 C ATOM 493 C7 DT B 16 28.692 31.936 23.748 1.00 0.00 C ATOM 494 C6 DT B 16 31.048 32.718 23.539 1.00 0.00 C ATOM 0 H5' DT B 16 33.361 32.543 19.207 1.00 0.00 H new ATOM 0 H5'' DT B 16 34.303 31.099 19.519 1.00 0.00 H new ATOM 0 H4' DT B 16 35.031 32.840 20.931 1.00 0.00 H new ATOM 0 H3' DT B 16 33.556 30.573 22.396 1.00 0.00 H new ATOM 0 H2' DT B 16 33.883 31.755 24.452 1.00 0.00 H new ATOM 0 H2'' DT B 16 35.301 32.589 23.849 1.00 0.00 H new ATOM 0 H1' DT B 16 33.937 34.386 23.436 1.00 0.00 H new ATOM 0 H3 DT B 16 30.715 35.158 26.372 1.00 0.00 H new ATOM 0 H71 DT B 16 28.788 31.696 22.689 1.00 0.00 H new ATOM 0 H72 DT B 16 28.710 31.016 24.332 1.00 0.00 H new ATOM 0 H73 DT B 16 27.749 32.455 23.918 1.00 0.00 H new ATOM 0 H6 DT B 16 31.167 31.997 22.744 1.00 0.00 H new ATOM 507 P DG B 17 35.708 29.138 22.473 1.00 0.00 P ATOM 508 OP1 DG B 17 37.066 28.728 22.030 1.00 0.00 O ATOM 509 OP2 DG B 17 34.533 28.409 21.936 1.00 0.00 O ATOM 510 O5' DG B 17 35.642 29.077 24.076 1.00 0.00 O ATOM 511 C5' DG B 17 36.719 29.525 24.891 1.00 0.00 C ATOM 512 C4' DG B 17 36.427 29.316 26.384 1.00 0.00 C ATOM 513 O4' DG B 17 35.408 30.208 26.826 1.00 0.00 O ATOM 514 C3' DG B 17 35.944 27.886 26.681 1.00 0.00 C ATOM 515 O3' DG B 17 36.481 27.379 27.889 1.00 0.00 O ATOM 516 C2' DG B 17 34.447 28.106 26.840 1.00 0.00 C ATOM 517 C1' DG B 17 34.428 29.470 27.533 1.00 0.00 C ATOM 518 N9 DG B 17 33.128 30.187 27.476 1.00 0.00 N ATOM 519 C8 DG B 17 32.163 30.159 26.496 1.00 0.00 C ATOM 520 N7 DG B 17 31.146 30.952 26.716 1.00 0.00 N ATOM 521 C5 DG B 17 31.456 31.555 27.942 1.00 0.00 C ATOM 522 C6 DG B 17 30.756 32.532 28.737 1.00 0.00 C ATOM 523 O6 DG B 17 29.672 33.070 28.534 1.00 0.00 O ATOM 524 N1 DG B 17 31.422 32.897 29.888 1.00 0.00 N ATOM 525 C2 DG B 17 32.603 32.372 30.267 1.00 0.00 C ATOM 526 N2 DG B 17 33.127 32.829 31.369 1.00 0.00 N ATOM 527 N3 DG B 17 33.290 31.473 29.568 1.00 0.00 N ATOM 528 C4 DG B 17 32.667 31.094 28.410 1.00 0.00 C ATOM 0 H5' DG B 17 36.904 30.582 24.701 1.00 0.00 H new ATOM 0 H5'' DG B 17 37.628 28.989 24.620 1.00 0.00 H new ATOM 0 H4' DG B 17 37.364 29.503 26.908 1.00 0.00 H new ATOM 0 H3' DG B 17 36.235 27.168 25.914 1.00 0.00 H new ATOM 0 H2' DG B 17 33.928 28.122 25.882 1.00 0.00 H new ATOM 0 H2'' DG B 17 33.977 27.329 27.444 1.00 0.00 H new ATOM 0 H1' DG B 17 34.612 29.349 28.601 1.00 0.00 H new ATOM 0 H8 DG B 17 32.239 29.534 25.618 1.00 0.00 H new ATOM 0 H1 DG B 17 30.996 33.605 30.486 1.00 0.00 H new ATOM 0 H21 DG B 17 34.020 32.464 31.699 1.00 0.00 H new ATOM 0 H22 DG B 17 32.644 33.552 31.902 1.00 0.00 H new ATOM 540 P DT B 18 37.907 26.641 27.916 1.00 0.00 P ATOM 541 OP1 DT B 18 38.827 27.302 26.956 1.00 0.00 O ATOM 542 OP2 DT B 18 37.676 25.180 27.807 1.00 0.00 O ATOM 543 O5' DT B 18 38.412 26.962 29.407 1.00 0.00 O ATOM 544 C5' DT B 18 38.668 28.298 29.832 1.00 0.00 C ATOM 545 C4' DT B 18 37.779 28.720 31.010 1.00 0.00 C ATOM 546 O4' DT B 18 36.411 28.880 30.657 1.00 0.00 O ATOM 547 C3' DT B 18 37.832 27.743 32.196 1.00 0.00 C ATOM 548 O3' DT B 18 38.454 28.398 33.296 1.00 0.00 O ATOM 549 C2' DT B 18 36.353 27.406 32.427 1.00 0.00 C ATOM 550 C1' DT B 18 35.654 28.622 31.826 1.00 0.00 C ATOM 551 N1 DT B 18 34.211 28.460 31.483 1.00 0.00 N ATOM 552 C2 DT B 18 33.288 29.340 32.070 1.00 0.00 C ATOM 553 O2 DT B 18 33.542 30.081 33.016 1.00 0.00 O ATOM 554 N3 DT B 18 32.018 29.354 31.548 1.00 0.00 N ATOM 555 C4 DT B 18 31.584 28.583 30.499 1.00 0.00 C ATOM 556 O4 DT B 18 30.477 28.813 30.021 1.00 0.00 O ATOM 557 C5 DT B 18 32.526 27.557 30.057 1.00 0.00 C ATOM 558 C7 DT B 18 32.079 26.519 29.041 1.00 0.00 C ATOM 559 C6 DT B 18 33.799 27.536 30.542 1.00 0.00 C ATOM 0 H5' DT B 18 38.506 28.979 28.996 1.00 0.00 H new ATOM 0 H5'' DT B 18 39.715 28.390 30.120 1.00 0.00 H new ATOM 0 H4' DT B 18 38.199 29.682 31.305 1.00 0.00 H new ATOM 0 H3' DT B 18 38.414 26.835 32.038 1.00 0.00 H new ATOM 0 H2' DT B 18 36.063 26.481 31.929 1.00 0.00 H new ATOM 0 H2'' DT B 18 36.123 27.284 33.485 1.00 0.00 H new ATOM 0 H1' DT B 18 35.626 29.426 32.561 1.00 0.00 H new ATOM 0 H3 DT B 18 31.343 29.989 31.974 1.00 0.00 H new ATOM 0 H71 DT B 18 31.010 26.338 29.152 1.00 0.00 H new ATOM 0 H72 DT B 18 32.282 26.884 28.034 1.00 0.00 H new ATOM 0 H73 DT B 18 32.624 25.590 29.207 1.00 0.00 H new ATOM 0 H6 DT B 18 34.494 26.789 30.187 1.00 0.00 H new ATOM 572 P DA B 19 39.197 27.583 34.477 1.00 0.00 P ATOM 573 OP1 DA B 19 40.174 28.497 35.119 1.00 0.00 O ATOM 574 OP2 DA B 19 39.680 26.281 33.952 1.00 0.00 O ATOM 575 O5' DA B 19 38.003 27.296 35.511 1.00 0.00 O ATOM 576 C5' DA B 19 37.493 28.349 36.316 1.00 0.00 C ATOM 577 C4' DA B 19 36.107 28.050 36.885 1.00 0.00 C ATOM 578 O4' DA B 19 35.141 27.956 35.852 1.00 0.00 O ATOM 579 C3' DA B 19 36.001 26.784 37.747 1.00 0.00 C ATOM 580 O3' DA B 19 35.764 27.191 39.090 1.00 0.00 O ATOM 581 C2' DA B 19 34.837 26.039 37.078 1.00 0.00 C ATOM 582 C1' DA B 19 34.095 27.152 36.342 1.00 0.00 C ATOM 583 N9 DA B 19 33.289 26.694 35.191 1.00 0.00 N ATOM 584 C8 DA B 19 33.667 25.840 34.181 1.00 0.00 C ATOM 585 N7 DA B 19 32.768 25.680 33.244 1.00 0.00 N ATOM 586 C5 DA B 19 31.716 26.497 33.687 1.00 0.00 C ATOM 587 C6 DA B 19 30.438 26.824 33.180 1.00 0.00 C ATOM 588 N6 DA B 19 29.954 26.349 32.054 1.00 0.00 N ATOM 589 N1 DA B 19 29.631 27.676 33.813 1.00 0.00 N ATOM 590 C2 DA B 19 30.060 28.199 34.952 1.00 0.00 C ATOM 591 N3 DA B 19 31.226 27.994 35.559 1.00 0.00 N ATOM 592 C4 DA B 19 32.020 27.123 34.865 1.00 0.00 C ATOM 0 H5' DA B 19 37.447 29.262 35.723 1.00 0.00 H new ATOM 0 H5'' DA B 19 38.184 28.538 37.138 1.00 0.00 H new ATOM 0 H4' DA B 19 35.916 28.898 37.543 1.00 0.00 H new ATOM 0 H3' DA B 19 36.880 26.142 37.802 1.00 0.00 H new ATOM 0 H2' DA B 19 35.191 25.269 36.393 1.00 0.00 H new ATOM 0 H2'' DA B 19 34.199 25.545 37.811 1.00 0.00 H new ATOM 0 H1' DA B 19 33.385 27.637 37.012 1.00 0.00 H new ATOM 0 H8 DA B 19 34.626 25.343 34.163 1.00 0.00 H new ATOM 0 H61 DA B 19 29.023 26.625 31.743 1.00 0.00 H new ATOM 0 H62 DA B 19 30.510 25.705 31.492 1.00 0.00 H new ATOM 0 H2 DA B 19 29.380 28.875 35.449 1.00 0.00 H new ATOM 604 P DC B 20 35.594 26.156 40.315 1.00 0.00 P ATOM 605 OP1 DC B 20 35.925 26.874 41.572 1.00 0.00 O ATOM 606 OP2 DC B 20 36.312 24.897 39.996 1.00 0.00 O ATOM 607 O5' DC B 20 34.014 25.862 40.294 1.00 0.00 O ATOM 608 C5' DC B 20 33.076 26.905 40.531 1.00 0.00 C ATOM 609 C4' DC B 20 31.643 26.497 40.177 1.00 0.00 C ATOM 610 O4' DC B 20 31.486 26.262 38.784 1.00 0.00 O ATOM 611 C3' DC B 20 31.175 25.227 40.909 1.00 0.00 C ATOM 612 O3' DC B 20 30.239 25.582 41.921 1.00 0.00 O ATOM 613 C2' DC B 20 30.598 24.371 39.773 1.00 0.00 C ATOM 614 C1' DC B 20 30.390 25.380 38.643 1.00 0.00 C ATOM 615 N1 DC B 20 30.390 24.776 37.280 1.00 0.00 N ATOM 616 C2 DC B 20 29.267 24.925 36.450 1.00 0.00 C ATOM 617 O2 DC B 20 28.266 25.547 36.806 1.00 0.00 O ATOM 618 N3 DC B 20 29.248 24.391 35.201 1.00 0.00 N ATOM 619 C4 DC B 20 30.310 23.729 34.790 1.00 0.00 C ATOM 620 N4 DC B 20 30.263 23.265 33.576 1.00 0.00 N ATOM 621 C5 DC B 20 31.487 23.567 35.569 1.00 0.00 C ATOM 622 C6 DC B 20 31.493 24.106 36.813 1.00 0.00 C ATOM 0 H5' DC B 20 33.356 27.781 39.946 1.00 0.00 H new ATOM 0 H5'' DC B 20 33.119 27.196 41.581 1.00 0.00 H new ATOM 0 H4' DC B 20 31.034 27.343 40.496 1.00 0.00 H new ATOM 0 H3' DC B 20 31.949 24.678 41.445 1.00 0.00 H new ATOM 0 H2' DC B 20 31.283 23.575 39.481 1.00 0.00 H new ATOM 0 H2'' DC B 20 29.662 23.894 40.064 1.00 0.00 H new ATOM 0 H1' DC B 20 29.412 25.854 38.724 1.00 0.00 H new ATOM 0 H41 DC B 20 31.054 22.743 33.198 1.00 0.00 H new ATOM 0 H42 DC B 20 29.435 23.423 33.001 1.00 0.00 H new ATOM 0 H5 DC B 20 32.345 23.035 35.185 1.00 0.00 H new ATOM 0 H6 DC B 20 32.368 24.008 37.438 1.00 0.00 H new ATOM 634 P DA B 21 29.730 24.529 43.033 1.00 0.00 P ATOM 635 OP1 DA B 21 29.290 25.293 44.228 1.00 0.00 O ATOM 636 OP2 DA B 21 30.749 23.462 43.200 1.00 0.00 O ATOM 637 O5' DA B 21 28.437 23.886 42.330 1.00 0.00 O ATOM 638 C5' DA B 21 27.257 24.657 42.130 1.00 0.00 C ATOM 639 C4' DA B 21 26.339 24.041 41.069 1.00 0.00 C ATOM 640 O4' DA B 21 27.010 23.935 39.822 1.00 0.00 O ATOM 641 C3' DA B 21 25.870 22.620 41.390 1.00 0.00 C ATOM 642 O3' DA B 21 24.715 22.635 42.224 1.00 0.00 O ATOM 643 C2' DA B 21 25.583 22.060 39.994 1.00 0.00 C ATOM 644 C1' DA B 21 26.260 23.037 39.034 1.00 0.00 C ATOM 645 N9 DA B 21 27.101 22.387 38.008 1.00 0.00 N ATOM 646 C8 DA B 21 28.321 21.772 38.152 1.00 0.00 C ATOM 647 N7 DA B 21 28.804 21.269 37.041 1.00 0.00 N ATOM 648 C5 DA B 21 27.799 21.561 36.098 1.00 0.00 C ATOM 649 C6 DA B 21 27.597 21.305 34.716 1.00 0.00 C ATOM 650 N6 DA B 21 28.410 20.646 33.913 1.00 0.00 N ATOM 651 N1 DA B 21 26.498 21.719 34.089 1.00 0.00 N ATOM 652 C2 DA B 21 25.594 22.384 34.789 1.00 0.00 C ATOM 653 N3 DA B 21 25.627 22.698 36.076 1.00 0.00 N ATOM 654 C4 DA B 21 26.768 22.253 36.680 1.00 0.00 C ATOM 0 H5' DA B 21 27.532 25.668 41.828 1.00 0.00 H new ATOM 0 H5'' DA B 21 26.716 24.742 43.072 1.00 0.00 H new ATOM 0 H4' DA B 21 25.482 24.714 41.042 1.00 0.00 H new ATOM 0 H3' DA B 21 26.591 22.023 41.948 1.00 0.00 H new ATOM 0 H2' DA B 21 25.985 21.053 39.882 1.00 0.00 H new ATOM 0 H2'' DA B 21 24.511 21.999 39.805 1.00 0.00 H new ATOM 0 H1' DA B 21 25.492 23.554 38.459 1.00 0.00 H new ATOM 0 H8 DA B 21 28.838 21.708 39.098 1.00 0.00 H new ATOM 0 H61 DA B 21 28.165 20.520 32.931 1.00 0.00 H new ATOM 0 H62 DA B 21 29.284 20.263 34.274 1.00 0.00 H new ATOM 0 H2 DA B 21 24.721 22.712 34.244 1.00 0.00 H new ATOM 666 P DT B 22 24.052 21.280 42.800 1.00 0.00 P ATOM 667 OP1 DT B 22 23.130 21.662 43.900 1.00 0.00 O ATOM 668 OP2 DT B 22 25.135 20.304 43.086 1.00 0.00 O ATOM 669 O5' DT B 22 23.178 20.718 41.563 1.00 0.00 O ATOM 670 C5' DT B 22 21.934 21.310 41.210 1.00 0.00 C ATOM 671 C4' DT B 22 21.303 20.699 39.951 1.00 0.00 C ATOM 672 O4' DT B 22 22.037 21.016 38.775 1.00 0.00 O ATOM 673 C3' DT B 22 21.233 19.171 39.960 1.00 0.00 C ATOM 674 O3' DT B 22 20.196 18.670 40.794 1.00 0.00 O ATOM 675 C2' DT B 22 20.941 18.932 38.481 1.00 0.00 C ATOM 676 C1' DT B 22 21.705 20.059 37.774 1.00 0.00 C ATOM 677 N1 DT B 22 22.928 19.554 37.091 1.00 0.00 N ATOM 678 C2 DT B 22 22.839 19.261 35.723 1.00 0.00 C ATOM 679 O2 DT B 22 21.813 19.420 35.058 1.00 0.00 O ATOM 680 N3 DT B 22 23.966 18.753 35.121 1.00 0.00 N ATOM 681 C4 DT B 22 25.162 18.490 35.747 1.00 0.00 C ATOM 682 O4 DT B 22 26.093 18.037 35.083 1.00 0.00 O ATOM 683 C5 DT B 22 25.182 18.782 37.181 1.00 0.00 C ATOM 684 C7 DT B 22 26.438 18.512 37.991 1.00 0.00 C ATOM 685 C6 DT B 22 24.086 19.295 37.799 1.00 0.00 C ATOM 0 H5' DT B 22 22.081 22.378 41.052 1.00 0.00 H new ATOM 0 H5'' DT B 22 21.240 21.203 42.044 1.00 0.00 H new ATOM 0 H4' DT B 22 20.301 21.129 39.952 1.00 0.00 H new ATOM 0 H3' DT B 22 22.120 18.674 40.354 1.00 0.00 H new ATOM 0 H2' DT B 22 21.286 17.950 38.158 1.00 0.00 H new ATOM 0 H2'' DT B 22 19.872 18.979 38.271 1.00 0.00 H new ATOM 0 H1' DT B 22 21.089 20.504 36.993 1.00 0.00 H new ATOM 0 H3 DT B 22 23.910 18.554 34.122 1.00 0.00 H new ATOM 0 H71 DT B 22 26.496 19.219 38.819 1.00 0.00 H new ATOM 0 H72 DT B 22 26.406 17.496 38.383 1.00 0.00 H new ATOM 0 H73 DT B 22 27.314 18.627 37.353 1.00 0.00 H new ATOM 0 H6 DT B 22 24.120 19.503 38.858 1.00 0.00 H new ATOM 698 P DC B 23 20.207 17.155 41.348 1.00 0.00 P ATOM 699 OP1 DC B 23 19.132 17.035 42.363 1.00 0.00 O ATOM 700 OP2 DC B 23 21.593 16.793 41.731 1.00 0.00 O ATOM 701 O5' DC B 23 19.801 16.262 40.070 1.00 0.00 O ATOM 702 C5' DC B 23 18.532 16.398 39.443 1.00 0.00 C ATOM 703 C4' DC B 23 18.334 15.420 38.275 1.00 0.00 C ATOM 704 O4' DC B 23 19.327 15.629 37.268 1.00 0.00 O ATOM 705 C3' DC B 23 18.398 13.948 38.711 1.00 0.00 C ATOM 706 O3' DC B 23 17.340 13.218 38.098 1.00 0.00 O ATOM 707 C2' DC B 23 19.791 13.537 38.239 1.00 0.00 C ATOM 708 C1' DC B 23 20.001 14.408 36.998 1.00 0.00 C ATOM 709 N1 DC B 23 21.447 14.669 36.723 1.00 0.00 N ATOM 710 C2 DC B 23 22.001 14.294 35.489 1.00 0.00 C ATOM 711 O2 DC B 23 21.322 13.848 34.564 1.00 0.00 O ATOM 712 N3 DC B 23 23.331 14.428 35.258 1.00 0.00 N ATOM 713 C4 DC B 23 24.082 14.956 36.201 1.00 0.00 C ATOM 714 N4 DC B 23 25.349 15.054 35.929 1.00 0.00 N ATOM 715 C5 DC B 23 23.575 15.418 37.444 1.00 0.00 C ATOM 716 C6 DC B 23 22.248 15.256 37.674 1.00 0.00 C ATOM 0 H5' DC B 23 18.420 17.419 39.078 1.00 0.00 H new ATOM 0 H5'' DC B 23 17.748 16.236 40.183 1.00 0.00 H new ATOM 0 H4' DC B 23 17.337 15.622 37.884 1.00 0.00 H new ATOM 0 H3' DC B 23 18.265 13.764 39.777 1.00 0.00 H new ATOM 0 H2' DC B 23 20.548 13.728 39.000 1.00 0.00 H new ATOM 0 H2'' DC B 23 19.840 12.475 38.000 1.00 0.00 H new ATOM 0 H1' DC B 23 19.615 13.904 36.112 1.00 0.00 H new ATOM 0 H41 DC B 23 25.989 15.454 36.616 1.00 0.00 H new ATOM 0 H42 DC B 23 25.704 14.731 35.029 1.00 0.00 H new ATOM 0 H5 DC B 23 24.220 15.880 38.177 1.00 0.00 H new ATOM 0 H6 DC B 23 21.819 15.589 38.607 1.00 0.00 H new ATOM 728 P DG B 24 17.002 11.685 38.478 1.00 0.00 P ATOM 729 OP1 DG B 24 15.570 11.440 38.170 1.00 0.00 O ATOM 730 OP2 DG B 24 17.499 11.400 39.846 1.00 0.00 O ATOM 731 O5' DG B 24 17.901 10.858 37.430 1.00 0.00 O ATOM 732 C5' DG B 24 17.625 10.913 36.036 1.00 0.00 C ATOM 733 C4' DG B 24 18.748 10.311 35.180 1.00 0.00 C ATOM 734 O4' DG B 24 19.953 11.059 35.352 1.00 0.00 O ATOM 735 C3' DG B 24 19.068 8.840 35.521 1.00 0.00 C ATOM 736 O3' DG B 24 19.222 8.055 34.337 1.00 0.00 O ATOM 737 C2' DG B 24 20.405 8.972 36.241 1.00 0.00 C ATOM 738 C1' DG B 24 21.019 10.130 35.457 1.00 0.00 C ATOM 739 N9 DG B 24 22.217 10.715 36.106 1.00 0.00 N ATOM 740 C8 DG B 24 22.404 11.072 37.420 1.00 0.00 C ATOM 741 N7 DG B 24 23.614 11.478 37.701 1.00 0.00 N ATOM 742 C5 DG B 24 24.293 11.368 36.478 1.00 0.00 C ATOM 743 C6 DG B 24 25.667 11.617 36.116 1.00 0.00 C ATOM 744 O6 DG B 24 26.605 12.002 36.819 1.00 0.00 O ATOM 745 N1 DG B 24 25.943 11.360 34.785 1.00 0.00 N ATOM 746 C2 DG B 24 25.021 10.913 33.897 1.00 0.00 C ATOM 747 N2 DG B 24 25.417 10.689 32.671 1.00 0.00 N ATOM 748 N3 DG B 24 23.748 10.657 34.185 1.00 0.00 N ATOM 749 C4 DG B 24 23.439 10.907 35.496 1.00 0.00 C ATOM 0 H5' DG B 24 17.468 11.951 35.743 1.00 0.00 H new ATOM 0 H5'' DG B 24 16.696 10.381 35.834 1.00 0.00 H new ATOM 0 H4' DG B 24 18.384 10.354 34.154 1.00 0.00 H new ATOM 0 H3' DG B 24 18.287 8.348 36.101 1.00 0.00 H new ATOM 0 H2' DG B 24 20.287 9.203 37.300 1.00 0.00 H new ATOM 0 H2'' DG B 24 21.003 8.063 36.178 1.00 0.00 H new ATOM 0 HO3' DG B 24 19.426 7.129 34.583 1.00 0.00 H new ATOM 0 H1' DG B 24 21.401 9.808 34.488 1.00 0.00 H new ATOM 0 H8 DG B 24 21.617 11.021 38.158 1.00 0.00 H new ATOM 0 H1 DG B 24 26.895 11.516 34.453 1.00 0.00 H new ATOM 0 H21 DG B 24 24.753 10.352 31.974 1.00 0.00 H new ATOM 0 H22 DG B 24 26.390 10.851 32.412 1.00 0.00 H new TER 762 DG B 24 HETATM 763 O81 9TK A 101 23.429 30.263 38.591 1.00 0.00 O HETATM 764 C81 9TK A 101 24.011 29.713 37.662 1.00 0.00 C HETATM 765 C83 9TK A 101 21.814 27.282 36.056 1.00 0.00 C HETATM 766 N81 9TK A 101 22.075 28.226 37.021 1.00 0.00 N HETATM 767 C88 9TK A 101 21.106 28.659 38.037 1.00 0.00 C HETATM 768 C82 9TK A 101 23.395 28.629 36.817 1.00 0.00 C HETATM 769 N82 9TK A 101 23.956 27.963 35.810 1.00 0.00 N HETATM 770 C84 9TK A 101 22.967 27.131 35.338 1.00 0.00 C HETATM 776 N PYB A 102 25.307 30.072 37.290 1.00 0.00 N HETATM 777 CA PYB A 102 26.130 31.012 37.910 1.00 0.00 C HETATM 778 CB1 PYB A 102 27.409 31.418 37.444 1.00 0.00 C HETATM 779 CB PYB A 102 25.851 31.686 39.069 1.00 0.00 C HETATM 780 CG1 PYB A 102 27.894 32.348 38.337 1.00 0.00 C HETATM 781 NG2 PYB A 102 26.906 32.549 39.310 1.00 0.00 N HETATM 782 CD PYB A 102 26.872 33.554 40.386 1.00 0.00 C HETATM 783 C PYB A 102 29.214 33.031 38.432 1.00 0.00 C HETATM 784 O PYB A 102 29.520 33.693 39.416 1.00 0.00 O HETATM 0 HD3 PYB A 102 26.038 34.236 40.221 1.00 0.00 H new HETATM 0 HD2 PYB A 102 26.747 33.054 41.347 1.00 0.00 H new HETATM 0 HD1 PYB A 102 27.806 34.116 40.388 1.00 0.00 H new HETATM 0 HB1 PYB A 102 27.913 31.060 36.546 1.00 0.00 H new HETATM 0 HB PYB A 102 24.962 31.565 39.688 1.00 0.00 H new HETATM 0 H PYB A 102 25.612 29.616 36.430 1.00 0.00 H new HETATM 791 N PYB A 103 30.089 32.888 37.360 1.00 0.00 N HETATM 792 CA PYB A 103 31.409 33.349 37.349 1.00 0.00 C HETATM 793 CB1 PYB A 103 32.206 33.638 36.207 1.00 0.00 C HETATM 794 CB PYB A 103 32.145 33.626 38.469 1.00 0.00 C HETATM 795 CG1 PYB A 103 33.399 34.162 36.658 1.00 0.00 C HETATM 796 NG2 PYB A 103 33.356 34.152 38.060 1.00 0.00 N HETATM 797 CD PYB A 103 34.365 34.625 39.020 1.00 0.00 C HETATM 798 C PYB A 103 34.611 34.662 35.942 1.00 0.00 C HETATM 799 O PYB A 103 35.593 35.055 36.554 1.00 0.00 O HETATM 0 HD3 PYB A 103 33.944 35.428 39.625 1.00 0.00 H new HETATM 0 HD2 PYB A 103 34.665 33.802 39.668 1.00 0.00 H new HETATM 0 HD1 PYB A 103 35.236 34.997 38.479 1.00 0.00 H new HETATM 0 HB1 PYB A 103 31.925 33.475 35.166 1.00 0.00 H new HETATM 0 HB PYB A 103 31.832 33.461 39.500 1.00 0.00 H new HETATM 0 H PYB A 103 29.598 32.725 36.481 1.00 0.00 H new HETATM 806 N PYB A 104 34.586 34.677 34.551 1.00 0.00 N HETATM 807 CA PYB A 104 35.655 35.041 33.722 1.00 0.00 C HETATM 808 CB1 PYB A 104 35.612 35.146 32.308 1.00 0.00 C HETATM 809 CB PYB A 104 36.929 35.358 34.131 1.00 0.00 C HETATM 810 CG1 PYB A 104 36.855 35.565 31.881 1.00 0.00 C HETATM 811 NG2 PYB A 104 37.663 35.709 33.012 1.00 0.00 N HETATM 812 CD PYB A 104 39.069 36.135 33.082 1.00 0.00 C HETATM 813 C PYB A 104 37.394 35.795 30.514 1.00 0.00 C HETATM 814 O PYB A 104 38.530 36.176 30.271 1.00 0.00 O HETATM 0 HD3 PYB A 104 39.148 37.027 33.704 1.00 0.00 H new HETATM 0 HD2 PYB A 104 39.670 35.336 33.515 1.00 0.00 H new HETATM 0 HD1 PYB A 104 39.432 36.359 32.079 1.00 0.00 H new HETATM 0 HB1 PYB A 104 34.752 34.934 31.673 1.00 0.00 H new HETATM 0 HB PYB A 104 37.296 35.337 35.157 1.00 0.00 H new HETATM 0 H PYB A 104 33.676 34.459 34.144 1.00 0.00 H new HETATM 821 N ABU A 105 36.535 35.496 29.482 1.00 0.00 N HETATM 822 CA ABU A 105 37.015 35.455 28.091 1.00 0.00 C HETATM 823 CB ABU A 105 36.083 34.725 27.101 1.00 0.00 C HETATM 824 CG ABU A 105 35.721 33.259 27.474 1.00 0.00 C HETATM 825 CD ABU A 105 36.656 32.597 28.497 1.00 0.00 C HETATM 826 OE1 ABU A 105 37.843 32.407 28.281 1.00 0.00 O HETATM 0 H ABU A 105 35.543 35.289 29.599 1.00 0.00 H new HETATM 0 HB1 ABU A 105 35.159 35.297 27.011 1.00 0.00 H new HETATM 0 HB2 ABU A 105 36.555 34.725 26.118 1.00 0.00 H new HETATM 0 HG1 ABU A 105 35.063 32.842 26.712 1.00 0.00 H new HETATM 0 HG2 ABU A 105 36.632 32.663 27.533 1.00 0.00 H new HETATM 0 HE2 ABU A 105 35.214 33.244 28.439 1.00 0.00 H new HETATM 834 N IMT A 106 36.053 32.309 29.696 1.00 0.00 N HETATM 835 CA IMT A 106 36.616 32.151 30.932 1.00 0.00 C HETATM 836 NB1 IMT A 106 35.893 31.893 32.065 1.00 0.00 N HETATM 837 CB IMT A 106 37.938 32.347 31.222 1.00 0.00 C HETATM 838 CG1 IMT A 106 36.776 31.925 33.060 1.00 0.00 C HETATM 839 NG2 IMT A 106 38.059 32.195 32.586 1.00 0.00 N HETATM 840 CD IMT A 106 39.322 32.310 33.328 1.00 0.00 C HETATM 841 C IMT A 106 36.523 31.734 34.535 1.00 0.00 C HETATM 842 O IMT A 106 37.389 31.871 35.393 1.00 0.00 O HETATM 0 HN2 IMT A 106 35.042 32.236 29.583 1.00 0.00 H new HETATM 0 HD3 IMT A 106 40.028 31.564 32.963 1.00 0.00 H new HETATM 0 HD2 IMT A 106 39.740 33.306 33.183 1.00 0.00 H new HETATM 0 HD1 IMT A 106 39.137 32.146 34.389 1.00 0.00 H new HETATM 0 HB IMT A 106 38.736 32.577 30.516 1.00 0.00 H new HETATM 848 N PYB A 107 35.219 31.366 34.874 1.00 0.00 N HETATM 849 CA PYB A 107 34.713 31.141 36.155 1.00 0.00 C HETATM 850 CB1 PYB A 107 33.440 30.581 36.460 1.00 0.00 C HETATM 851 CB PYB A 107 35.357 31.424 37.328 1.00 0.00 C HETATM 852 CG1 PYB A 107 33.341 30.500 37.834 1.00 0.00 C HETATM 853 NG2 PYB A 107 34.544 30.996 38.363 1.00 0.00 N HETATM 854 CD PYB A 107 34.980 31.049 39.768 1.00 0.00 C HETATM 855 C PYB A 107 32.226 30.077 38.735 1.00 0.00 C HETATM 856 O PYB A 107 32.330 30.167 39.951 1.00 0.00 O HETATM 0 HD3 PYB A 107 35.876 30.441 39.894 1.00 0.00 H new HETATM 0 HD2 PYB A 107 35.200 32.081 40.042 1.00 0.00 H new HETATM 0 HD1 PYB A 107 34.187 30.665 40.410 1.00 0.00 H new HETATM 0 HB1 PYB A 107 32.682 30.273 35.740 1.00 0.00 H new HETATM 0 HB PYB A 107 36.332 31.900 37.429 1.00 0.00 H new HETATM 0 H PYB A 107 34.661 31.123 34.055 1.00 0.00 H new HETATM 863 N PYB A 108 31.059 29.575 38.165 1.00 0.00 N HETATM 864 CA PYB A 108 29.866 29.375 38.875 1.00 0.00 C HETATM 865 CB1 PYB A 108 28.782 28.512 38.546 1.00 0.00 C HETATM 866 CB PYB A 108 29.559 30.017 40.046 1.00 0.00 C HETATM 867 CG1 PYB A 108 27.858 28.592 39.574 1.00 0.00 C HETATM 868 NG2 PYB A 108 28.340 29.541 40.488 1.00 0.00 N HETATM 869 CD PYB A 108 27.716 30.039 41.724 1.00 0.00 C HETATM 870 C PYB A 108 26.553 27.901 39.819 1.00 0.00 C HETATM 871 O PYB A 108 25.922 28.062 40.853 1.00 0.00 O HETATM 0 HD3 PYB A 108 28.376 29.844 42.569 1.00 0.00 H new HETATM 0 HD2 PYB A 108 27.544 31.112 41.638 1.00 0.00 H new HETATM 0 HD1 PYB A 108 26.765 29.530 41.882 1.00 0.00 H new HETATM 0 HB1 PYB A 108 28.695 27.900 37.648 1.00 0.00 H new HETATM 0 HB PYB A 108 30.170 30.771 40.542 1.00 0.00 H new HETATM 0 H PYB A 108 31.227 29.066 37.297 1.00 0.00 H new HETATM 878 N PYB A 109 26.077 27.057 38.826 1.00 0.00 N HETATM 879 CA PYB A 109 24.843 26.394 38.828 1.00 0.00 C HETATM 880 CB1 PYB A 109 24.385 25.533 37.803 1.00 0.00 C HETATM 881 CB PYB A 109 23.853 26.473 39.780 1.00 0.00 C HETATM 882 CG1 PYB A 109 23.123 25.094 38.139 1.00 0.00 C HETATM 883 NG2 PYB A 109 22.800 25.662 39.372 1.00 0.00 N HETATM 884 CD PYB A 109 21.577 25.464 40.162 1.00 0.00 C HETATM 885 C PYB A 109 22.170 24.245 37.374 1.00 0.00 C HETATM 886 O PYB A 109 21.008 24.028 37.681 1.00 0.00 O HETATM 0 HD3 PYB A 109 21.835 25.034 41.130 1.00 0.00 H new HETATM 0 HD2 PYB A 109 21.081 26.423 40.312 1.00 0.00 H new HETATM 0 HD1 PYB A 109 20.906 24.788 39.631 1.00 0.00 H new HETATM 0 HB1 PYB A 109 24.936 25.263 36.902 1.00 0.00 H new HETATM 0 HB PYB A 109 23.888 27.067 40.693 1.00 0.00 H new HETATM 0 H PYB A 109 26.720 26.935 38.044 1.00 0.00 H new HETATM 893 C01 9T8 A 110 13.613 22.495 30.841 1.00 0.00 C HETATM 894 N02 9T8 A 110 19.262 23.172 33.565 1.00 0.00 N HETATM 895 C03 9T8 A 110 15.682 22.761 32.205 1.00 0.00 C HETATM 896 C05 9T8 A 110 17.819 23.422 33.444 1.00 0.00 C HETATM 897 C06 9T8 A 110 20.179 24.122 33.957 1.00 0.00 C HETATM 898 C07 9T8 A 110 21.623 23.641 33.977 1.00 0.00 C HETATM 899 C04 9T8 A 110 17.193 22.513 32.369 1.00 0.00 C HETATM 900 N01 9T8 A 110 15.069 22.054 30.998 1.00 0.00 N HETATM 901 C02 9T8 A 110 15.108 20.533 31.176 1.00 0.00 C HETATM 902 N03 9T8 A 110 22.714 23.713 36.230 1.00 0.00 N HETATM 903 C08 9T8 A 110 21.988 22.873 35.265 1.00 0.00 C HETATM 904 O01 9T8 A 110 19.850 25.263 34.234 1.00 0.00 O