USER MOD reduce.3.24.130724 H: found=0, std=0, add=321, rem=0, adj=4 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= -0.189 (180deg=-0.189) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.0343 (180deg=-0.0343) 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 150:sc= -1.82! (180deg=-1.82!) USER MOD Single : B 22 DT C7 :methyl 150:sc= -0.145 (180deg=-0.145) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 DCZ A 1 29.518 14.633 29.976 1.00 0.00 N HETATM 2 C2 DCZ A 1 29.611 14.823 31.368 1.00 0.00 C HETATM 3 N3 DCZ A 1 29.591 16.072 31.904 1.00 0.00 N HETATM 4 C4 DCZ A 1 29.451 17.097 31.092 1.00 0.00 C HETATM 5 C5 DCZ A 1 29.324 16.979 29.685 1.00 0.00 C HETATM 6 C6 DCZ A 1 29.374 15.732 29.154 1.00 0.00 C HETATM 7 O2 DCZ A 1 29.721 13.877 32.155 1.00 0.00 O HETATM 8 N4 DCZ A 1 29.464 18.269 31.657 1.00 0.00 N HETATM 9 C1' DCZ A 1 29.594 13.231 29.456 1.00 0.00 C HETATM 10 C2' DCZ A 1 29.176 13.009 27.999 1.00 0.00 C HETATM 11 C3' DCZ A 1 29.661 11.583 27.783 1.00 0.00 C HETATM 12 C4' DCZ A 1 30.965 11.587 28.605 1.00 0.00 C HETATM 13 O4' DCZ A 1 30.926 12.744 29.445 1.00 0.00 O HETATM 14 O3' DCZ A 1 28.707 10.667 28.312 1.00 0.00 O HETATM 15 C5' DCZ A 1 32.232 11.615 27.731 1.00 0.00 C HETATM 16 O5' DCZ A 1 32.327 12.782 26.915 1.00 0.00 O HETATM 0 HO51 DCZ A 1 33.151 12.745 26.385 1.00 0.00 H new HETATM 0 HN42 DCZ A 1 29.361 19.110 31.089 1.00 0.00 H new HETATM 0 HN41 DCZ A 1 29.578 18.347 32.668 1.00 0.00 H new HETATM 0 H5'2 DCZ A 1 33.110 11.557 28.374 1.00 0.00 H new HETATM 0 H5'1 DCZ A 1 32.245 10.731 27.093 1.00 0.00 H new HETATM 0 H2'2 DCZ A 1 28.100 13.106 27.858 1.00 0.00 H new HETATM 0 H2'1 DCZ A 1 29.652 13.716 27.319 1.00 0.00 H new HETATM 0 H6 DCZ A 1 29.300 15.598 28.075 1.00 0.00 H new HETATM 0 H5 DCZ A 1 29.191 17.858 29.054 1.00 0.00 H new HETATM 0 H4' DCZ A 1 31.021 10.663 29.181 1.00 0.00 H new HETATM 0 H3' DCZ A 1 29.803 11.288 26.743 1.00 0.00 H new HETATM 0 H1' DCZ A 1 28.907 12.731 30.139 1.00 0.00 H new ATOM 29 P DG A 2 27.582 9.984 27.379 1.00 0.00 P ATOM 30 OP1 DG A 2 26.886 8.969 28.209 1.00 0.00 O ATOM 31 OP2 DG A 2 28.220 9.550 26.112 1.00 0.00 O ATOM 32 O5' DG A 2 26.527 11.159 27.040 1.00 0.00 O ATOM 33 C5' DG A 2 25.353 10.877 26.286 1.00 0.00 C ATOM 34 C4' DG A 2 24.377 12.057 26.133 1.00 0.00 C ATOM 35 O4' DG A 2 23.902 12.460 27.416 1.00 0.00 O ATOM 36 C3' DG A 2 24.945 13.296 25.421 1.00 0.00 C ATOM 37 O3' DG A 2 23.962 13.788 24.514 1.00 0.00 O ATOM 38 C2' DG A 2 25.276 14.191 26.614 1.00 0.00 C ATOM 39 C1' DG A 2 24.235 13.819 27.672 1.00 0.00 C ATOM 40 N9 DG A 2 24.722 13.960 29.076 1.00 0.00 N ATOM 41 C8 DG A 2 25.984 14.240 29.549 1.00 0.00 C ATOM 42 N7 DG A 2 26.114 14.169 30.847 1.00 0.00 N ATOM 43 C5 DG A 2 24.818 13.869 31.284 1.00 0.00 C ATOM 44 C6 DG A 2 24.271 13.700 32.607 1.00 0.00 C ATOM 45 O6 DG A 2 24.840 13.712 33.700 1.00 0.00 O ATOM 46 N1 DG A 2 22.905 13.510 32.616 1.00 0.00 N ATOM 47 C2 DG A 2 22.149 13.428 31.497 1.00 0.00 C ATOM 48 N2 DG A 2 20.864 13.271 31.656 1.00 0.00 N ATOM 49 N3 DG A 2 22.610 13.533 30.254 1.00 0.00 N ATOM 50 C4 DG A 2 23.957 13.769 30.208 1.00 0.00 C ATOM 0 H5' DG A 2 24.826 10.049 26.759 1.00 0.00 H new ATOM 0 H5'' DG A 2 25.650 10.540 25.293 1.00 0.00 H new ATOM 0 H4' DG A 2 23.580 11.675 25.496 1.00 0.00 H new ATOM 0 H3' DG A 2 25.823 13.165 24.788 1.00 0.00 H new ATOM 0 H2' DG A 2 26.289 14.013 26.974 1.00 0.00 H new ATOM 0 H2'' DG A 2 25.212 15.246 26.348 1.00 0.00 H new ATOM 0 H1' DG A 2 23.386 14.498 27.596 1.00 0.00 H new ATOM 0 H8 DG A 2 26.805 14.499 28.896 1.00 0.00 H new ATOM 0 H1 DG A 2 22.438 13.426 33.519 1.00 0.00 H new ATOM 0 H21 DG A 2 20.254 13.204 30.841 1.00 0.00 H new ATOM 0 H22 DG A 2 20.469 13.215 32.595 1.00 0.00 H new ATOM 62 P DA A 3 24.062 15.195 23.725 1.00 0.00 P ATOM 63 OP1 DA A 3 23.510 15.000 22.362 1.00 0.00 O ATOM 64 OP2 DA A 3 25.421 15.773 23.874 1.00 0.00 O ATOM 65 O5' DA A 3 23.023 16.076 24.579 1.00 0.00 O ATOM 66 C5' DA A 3 21.639 15.734 24.566 1.00 0.00 C ATOM 67 C4' DA A 3 20.776 16.573 25.511 1.00 0.00 C ATOM 68 O4' DA A 3 21.201 16.364 26.857 1.00 0.00 O ATOM 69 C3' DA A 3 20.845 18.076 25.195 1.00 0.00 C ATOM 70 O3' DA A 3 19.572 18.706 24.982 1.00 0.00 O ATOM 71 C2' DA A 3 21.723 18.610 26.326 1.00 0.00 C ATOM 72 C1' DA A 3 21.492 17.609 27.468 1.00 0.00 C ATOM 73 N9 DA A 3 22.662 17.437 28.364 1.00 0.00 N ATOM 74 C8 DA A 3 24.000 17.403 28.042 1.00 0.00 C ATOM 75 N7 DA A 3 24.803 17.309 29.070 1.00 0.00 N ATOM 76 C5 DA A 3 23.913 17.247 30.154 1.00 0.00 C ATOM 77 C6 DA A 3 24.056 17.166 31.561 1.00 0.00 C ATOM 78 N6 DA A 3 25.207 17.158 32.204 1.00 0.00 N ATOM 79 N1 DA A 3 22.995 17.103 32.365 1.00 0.00 N ATOM 80 C2 DA A 3 21.792 17.109 31.807 1.00 0.00 C ATOM 81 N3 DA A 3 21.496 17.191 30.516 1.00 0.00 N ATOM 82 C4 DA A 3 22.610 17.275 29.732 1.00 0.00 C ATOM 0 H5' DA A 3 21.534 14.683 24.833 1.00 0.00 H new ATOM 0 H5'' DA A 3 21.259 15.844 23.551 1.00 0.00 H new ATOM 0 H4' DA A 3 19.744 16.251 25.374 1.00 0.00 H new ATOM 0 H3' DA A 3 21.280 18.307 24.223 1.00 0.00 H new ATOM 0 H2' DA A 3 22.772 18.650 26.034 1.00 0.00 H new ATOM 0 H2'' DA A 3 21.434 19.621 26.614 1.00 0.00 H new ATOM 0 H1' DA A 3 20.685 17.986 28.096 1.00 0.00 H new ATOM 0 H8 DA A 3 24.357 17.450 27.024 1.00 0.00 H new ATOM 0 H61 DA A 3 25.222 17.097 33.222 1.00 0.00 H new ATOM 0 H62 DA A 3 26.082 17.213 31.683 1.00 0.00 H new ATOM 0 H2 DA A 3 20.953 17.039 32.484 1.00 0.00 H new ATOM 94 P DT A 4 18.359 18.808 26.055 1.00 0.00 P ATOM 95 OP1 DT A 4 17.957 17.442 26.470 1.00 0.00 O ATOM 96 OP2 DT A 4 17.328 19.701 25.469 1.00 0.00 O ATOM 97 O5' DT A 4 19.021 19.558 27.301 1.00 0.00 O ATOM 98 C5' DT A 4 18.416 19.581 28.580 1.00 0.00 C ATOM 99 C4' DT A 4 19.235 20.453 29.538 1.00 0.00 C ATOM 100 O4' DT A 4 20.559 19.983 29.732 1.00 0.00 O ATOM 101 C3' DT A 4 19.456 21.865 29.006 1.00 0.00 C ATOM 102 O3' DT A 4 18.287 22.654 29.172 1.00 0.00 O ATOM 103 C2' DT A 4 20.641 22.327 29.861 1.00 0.00 C ATOM 104 C1' DT A 4 21.242 21.022 30.406 1.00 0.00 C ATOM 105 N1 DT A 4 22.724 20.886 30.274 1.00 0.00 N ATOM 106 C2 DT A 4 23.472 20.726 31.450 1.00 0.00 C ATOM 107 O2 DT A 4 22.984 20.735 32.576 1.00 0.00 O ATOM 108 N3 DT A 4 24.827 20.542 31.317 1.00 0.00 N ATOM 109 C4 DT A 4 25.511 20.459 30.125 1.00 0.00 C ATOM 110 O4 DT A 4 26.718 20.214 30.159 1.00 0.00 O ATOM 111 C5 DT A 4 24.685 20.665 28.931 1.00 0.00 C ATOM 112 C7 DT A 4 25.325 20.625 27.551 1.00 0.00 C ATOM 113 C6 DT A 4 23.342 20.874 29.039 1.00 0.00 C ATOM 0 H5' DT A 4 18.342 18.567 28.973 1.00 0.00 H new ATOM 0 H5'' DT A 4 17.400 19.968 28.503 1.00 0.00 H new ATOM 0 H4' DT A 4 18.641 20.425 30.452 1.00 0.00 H new ATOM 0 H3' DT A 4 19.659 21.937 27.938 1.00 0.00 H new ATOM 0 H2' DT A 4 21.367 22.883 29.268 1.00 0.00 H new ATOM 0 H2'' DT A 4 20.318 22.984 30.668 1.00 0.00 H new ATOM 0 H1' DT A 4 21.103 20.994 31.487 1.00 0.00 H new ATOM 0 H3 DT A 4 25.373 20.460 32.175 1.00 0.00 H new ATOM 0 H71 DT A 4 24.597 20.268 26.823 1.00 0.00 H new ATOM 0 H72 DT A 4 25.654 21.626 27.274 1.00 0.00 H new ATOM 0 H73 DT A 4 26.183 19.952 27.567 1.00 0.00 H new ATOM 0 H6 DT A 4 22.754 21.032 28.147 1.00 0.00 H new ATOM 126 P DG A 5 18.007 23.922 28.223 1.00 0.00 P ATOM 127 OP1 DG A 5 16.682 24.486 28.582 1.00 0.00 O ATOM 128 OP2 DG A 5 18.280 23.562 26.809 1.00 0.00 O ATOM 129 O5' DG A 5 19.154 24.921 28.715 1.00 0.00 O ATOM 130 C5' DG A 5 19.063 25.571 29.971 1.00 0.00 C ATOM 131 C4' DG A 5 20.357 26.306 30.338 1.00 0.00 C ATOM 132 O4' DG A 5 21.409 25.414 30.681 1.00 0.00 O ATOM 133 C3' DG A 5 20.947 27.142 29.195 1.00 0.00 C ATOM 134 O3' DG A 5 20.326 28.384 28.835 1.00 0.00 O ATOM 135 C2' DG A 5 22.411 27.270 29.620 1.00 0.00 C ATOM 136 C1' DG A 5 22.600 26.183 30.692 1.00 0.00 C ATOM 137 N9 DG A 5 23.798 25.313 30.523 1.00 0.00 N ATOM 138 C8 DG A 5 24.192 24.546 29.451 1.00 0.00 C ATOM 139 N7 DG A 5 25.297 23.869 29.650 1.00 0.00 N ATOM 140 C5 DG A 5 25.677 24.214 30.958 1.00 0.00 C ATOM 141 C6 DG A 5 26.796 23.828 31.794 1.00 0.00 C ATOM 142 O6 DG A 5 27.741 23.074 31.555 1.00 0.00 O ATOM 143 N1 DG A 5 26.777 24.404 33.050 1.00 0.00 N ATOM 144 C2 DG A 5 25.822 25.266 33.462 1.00 0.00 C ATOM 145 N2 DG A 5 25.918 25.755 34.665 1.00 0.00 N ATOM 146 N3 DG A 5 24.790 25.656 32.726 1.00 0.00 N ATOM 147 C4 DG A 5 24.760 25.096 31.486 1.00 0.00 C ATOM 0 H5' DG A 5 18.833 24.836 30.743 1.00 0.00 H new ATOM 0 H5'' DG A 5 18.237 26.282 29.951 1.00 0.00 H new ATOM 0 H4' DG A 5 20.043 26.936 31.170 1.00 0.00 H new ATOM 0 H3' DG A 5 20.775 26.642 28.242 1.00 0.00 H new ATOM 0 H2' DG A 5 23.084 27.116 28.776 1.00 0.00 H new ATOM 0 H2'' DG A 5 22.623 28.262 30.019 1.00 0.00 H new ATOM 0 H1' DG A 5 22.786 26.673 31.648 1.00 0.00 H new ATOM 0 H8 DG A 5 23.638 24.505 28.525 1.00 0.00 H new ATOM 0 H1 DG A 5 27.525 24.165 33.701 1.00 0.00 H new ATOM 0 H21 DG A 5 25.214 26.409 35.008 1.00 0.00 H new ATOM 0 H22 DG A 5 26.697 25.484 35.265 1.00 0.00 H new ATOM 159 P DT A 6 19.551 29.391 29.847 1.00 0.00 P ATOM 160 OP1 DT A 6 18.339 28.718 30.375 1.00 0.00 O ATOM 161 OP2 DT A 6 19.383 30.682 29.133 1.00 0.00 O ATOM 162 O5' DT A 6 20.581 29.643 31.051 1.00 0.00 O ATOM 163 C5' DT A 6 20.252 29.407 32.415 1.00 0.00 C ATOM 164 C4' DT A 6 21.436 29.799 33.295 1.00 0.00 C ATOM 165 O4' DT A 6 22.608 29.114 32.886 1.00 0.00 O ATOM 166 C3' DT A 6 21.734 31.299 33.211 1.00 0.00 C ATOM 167 O3' DT A 6 21.302 31.915 34.418 1.00 0.00 O ATOM 168 C2' DT A 6 23.246 31.343 32.966 1.00 0.00 C ATOM 169 C1' DT A 6 23.716 29.915 33.237 1.00 0.00 C ATOM 170 N1 DT A 6 24.897 29.438 32.462 1.00 0.00 N ATOM 171 C2 DT A 6 25.976 28.894 33.172 1.00 0.00 C ATOM 172 O2 DT A 6 26.180 29.077 34.371 1.00 0.00 O ATOM 173 N3 DT A 6 26.864 28.128 32.454 1.00 0.00 N ATOM 174 C4 DT A 6 26.769 27.841 31.114 1.00 0.00 C ATOM 175 O4 DT A 6 27.517 26.993 30.636 1.00 0.00 O ATOM 176 C5 DT A 6 25.747 28.601 30.397 1.00 0.00 C ATOM 177 C7 DT A 6 25.664 28.508 28.883 1.00 0.00 C ATOM 178 C6 DT A 6 24.857 29.368 31.081 1.00 0.00 C ATOM 0 H5' DT A 6 20.005 28.356 32.565 1.00 0.00 H new ATOM 0 H5'' DT A 6 19.370 29.984 32.693 1.00 0.00 H new ATOM 0 H4' DT A 6 21.163 29.533 34.316 1.00 0.00 H new ATOM 0 H3' DT A 6 21.217 31.847 32.424 1.00 0.00 H new ATOM 0 H2' DT A 6 23.474 31.650 31.945 1.00 0.00 H new ATOM 0 H2'' DT A 6 23.736 32.055 33.630 1.00 0.00 H new ATOM 0 H1' DT A 6 24.046 29.863 34.275 1.00 0.00 H new ATOM 0 H3 DT A 6 27.661 27.740 32.959 1.00 0.00 H new ATOM 0 H71 DT A 6 24.631 28.653 28.566 1.00 0.00 H new ATOM 0 H72 DT A 6 26.293 29.278 28.436 1.00 0.00 H new ATOM 0 H73 DT A 6 26.008 27.526 28.559 1.00 0.00 H new ATOM 0 H6 DT A 6 24.110 29.929 30.540 1.00 0.00 H new ATOM 191 P DA A 7 21.140 33.512 34.567 1.00 0.00 P ATOM 192 OP1 DA A 7 20.190 33.778 35.678 1.00 0.00 O ATOM 193 OP2 DA A 7 20.869 34.109 33.236 1.00 0.00 O ATOM 194 O5' DA A 7 22.611 33.956 35.033 1.00 0.00 O ATOM 195 C5' DA A 7 23.108 33.559 36.304 1.00 0.00 C ATOM 196 C4' DA A 7 24.622 33.738 36.422 1.00 0.00 C ATOM 197 O4' DA A 7 25.296 32.862 35.529 1.00 0.00 O ATOM 198 C3' DA A 7 25.114 35.167 36.159 1.00 0.00 C ATOM 199 O3' DA A 7 25.708 35.677 37.348 1.00 0.00 O ATOM 200 C2' DA A 7 26.087 34.966 34.995 1.00 0.00 C ATOM 201 C1' DA A 7 26.473 33.489 35.067 1.00 0.00 C ATOM 202 N9 DA A 7 26.806 32.894 33.751 1.00 0.00 N ATOM 203 C8 DA A 7 26.054 32.949 32.601 1.00 0.00 C ATOM 204 N7 DA A 7 26.505 32.220 31.616 1.00 0.00 N ATOM 205 C5 DA A 7 27.682 31.675 32.153 1.00 0.00 C ATOM 206 C6 DA A 7 28.685 30.810 31.657 1.00 0.00 C ATOM 207 N6 DA A 7 28.681 30.278 30.449 1.00 0.00 N ATOM 208 N1 DA A 7 29.724 30.445 32.408 1.00 0.00 N ATOM 209 C2 DA A 7 29.787 30.929 33.642 1.00 0.00 C ATOM 210 N3 DA A 7 28.927 31.735 34.258 1.00 0.00 N ATOM 211 C4 DA A 7 27.880 32.080 33.449 1.00 0.00 C ATOM 0 H5' DA A 7 22.854 32.514 36.480 1.00 0.00 H new ATOM 0 H5'' DA A 7 22.615 34.142 37.082 1.00 0.00 H new ATOM 0 H4' DA A 7 24.853 33.503 37.461 1.00 0.00 H new ATOM 0 H3' DA A 7 24.351 35.902 35.903 1.00 0.00 H new ATOM 0 H2' DA A 7 25.619 35.207 34.041 1.00 0.00 H new ATOM 0 H2'' DA A 7 26.961 35.610 35.093 1.00 0.00 H new ATOM 0 H1' DA A 7 27.358 33.365 35.691 1.00 0.00 H new ATOM 0 H8 DA A 7 25.160 33.549 32.519 1.00 0.00 H new ATOM 0 H61 DA A 7 29.441 29.662 30.161 1.00 0.00 H new ATOM 0 H62 DA A 7 27.918 30.483 29.804 1.00 0.00 H new ATOM 0 H2 DA A 7 30.648 30.630 34.221 1.00 0.00 H new ATOM 223 P DC A 8 26.266 37.186 37.474 1.00 0.00 P ATOM 224 OP1 DC A 8 26.257 37.560 38.911 1.00 0.00 O ATOM 225 OP2 DC A 8 25.556 38.054 36.502 1.00 0.00 O ATOM 226 O5' DC A 8 27.793 37.031 36.996 1.00 0.00 O ATOM 227 C5' DC A 8 28.689 36.187 37.710 1.00 0.00 C ATOM 228 C4' DC A 8 30.013 35.965 36.973 1.00 0.00 C ATOM 229 O4' DC A 8 29.786 35.246 35.765 1.00 0.00 O ATOM 230 C3' DC A 8 30.745 37.269 36.619 1.00 0.00 C ATOM 231 O3' DC A 8 32.083 37.229 37.109 1.00 0.00 O ATOM 232 C2' DC A 8 30.650 37.276 35.092 1.00 0.00 C ATOM 233 C1' DC A 8 30.624 35.780 34.759 1.00 0.00 C ATOM 234 N1 DC A 8 30.043 35.416 33.434 1.00 0.00 N ATOM 235 C2 DC A 8 30.707 34.495 32.602 1.00 0.00 C ATOM 236 O2 DC A 8 31.828 34.050 32.865 1.00 0.00 O ATOM 237 N3 DC A 8 30.135 34.061 31.450 1.00 0.00 N ATOM 238 C4 DC A 8 28.937 34.516 31.140 1.00 0.00 C ATOM 239 N4 DC A 8 28.420 34.076 30.032 1.00 0.00 N ATOM 240 C5 DC A 8 28.211 35.439 31.933 1.00 0.00 C ATOM 241 C6 DC A 8 28.802 35.880 33.069 1.00 0.00 C ATOM 0 H5' DC A 8 28.211 35.223 37.886 1.00 0.00 H new ATOM 0 H5'' DC A 8 28.892 36.625 38.687 1.00 0.00 H new ATOM 0 H4' DC A 8 30.644 35.402 37.661 1.00 0.00 H new ATOM 0 H3' DC A 8 30.329 38.175 37.060 1.00 0.00 H new ATOM 0 H2' DC A 8 29.752 37.786 34.743 1.00 0.00 H new ATOM 0 H2'' DC A 8 31.501 37.780 34.634 1.00 0.00 H new ATOM 0 H1' DC A 8 31.646 35.405 34.716 1.00 0.00 H new ATOM 0 H41 DC A 8 27.495 34.392 29.740 1.00 0.00 H new ATOM 0 H42 DC A 8 28.939 33.414 29.455 1.00 0.00 H new ATOM 0 H5 DC A 8 27.227 35.777 31.643 1.00 0.00 H new ATOM 0 H6 DC A 8 28.295 36.601 33.692 1.00 0.00 H new ATOM 253 P DA A 9 32.996 38.559 37.229 1.00 0.00 P ATOM 254 OP1 DA A 9 34.071 38.291 38.217 1.00 0.00 O ATOM 255 OP2 DA A 9 32.116 39.736 37.439 1.00 0.00 O ATOM 256 O5' DA A 9 33.657 38.680 35.764 1.00 0.00 O ATOM 257 C5' DA A 9 34.692 37.791 35.363 1.00 0.00 C ATOM 258 C4' DA A 9 34.800 37.632 33.842 1.00 0.00 C ATOM 259 O4' DA A 9 33.615 37.079 33.281 1.00 0.00 O ATOM 260 C3' DA A 9 35.092 38.930 33.073 1.00 0.00 C ATOM 261 O3' DA A 9 36.482 39.035 32.777 1.00 0.00 O ATOM 262 C2' DA A 9 34.210 38.778 31.829 1.00 0.00 C ATOM 263 C1' DA A 9 33.680 37.349 31.899 1.00 0.00 C ATOM 264 N9 DA A 9 32.358 37.227 31.246 1.00 0.00 N ATOM 265 C8 DA A 9 31.200 37.906 31.547 1.00 0.00 C ATOM 266 N7 DA A 9 30.221 37.701 30.705 1.00 0.00 N ATOM 267 C5 DA A 9 30.788 36.816 29.774 1.00 0.00 C ATOM 268 C6 DA A 9 30.336 36.195 28.582 1.00 0.00 C ATOM 269 N6 DA A 9 29.152 36.368 28.032 1.00 0.00 N ATOM 270 N1 DA A 9 31.120 35.372 27.889 1.00 0.00 N ATOM 271 C2 DA A 9 32.344 35.156 28.348 1.00 0.00 C ATOM 272 N3 DA A 9 32.922 35.669 29.429 1.00 0.00 N ATOM 273 C4 DA A 9 32.079 36.503 30.107 1.00 0.00 C ATOM 0 H5' DA A 9 34.516 36.813 35.812 1.00 0.00 H new ATOM 0 H5'' DA A 9 35.644 38.153 35.752 1.00 0.00 H new ATOM 0 H4' DA A 9 35.653 36.963 33.726 1.00 0.00 H new ATOM 0 H3' DA A 9 34.871 39.847 33.620 1.00 0.00 H new ATOM 0 H2' DA A 9 33.396 39.502 31.831 1.00 0.00 H new ATOM 0 H2'' DA A 9 34.782 38.943 30.916 1.00 0.00 H new ATOM 0 H1' DA A 9 34.315 36.638 31.370 1.00 0.00 H new ATOM 0 H8 DA A 9 31.107 38.554 32.406 1.00 0.00 H new ATOM 0 H61 DA A 9 28.913 35.877 27.170 1.00 0.00 H new ATOM 0 H62 DA A 9 28.474 36.993 28.468 1.00 0.00 H new ATOM 0 H2 DA A 9 32.950 34.475 27.769 1.00 0.00 H new ATOM 285 P DT A 10 37.109 40.306 31.999 1.00 0.00 P ATOM 286 OP1 DT A 10 38.545 40.399 32.367 1.00 0.00 O ATOM 287 OP2 DT A 10 36.237 41.485 32.226 1.00 0.00 O ATOM 288 O5' DT A 10 36.995 39.880 30.446 1.00 0.00 O ATOM 289 C5' DT A 10 37.849 38.887 29.889 1.00 0.00 C ATOM 290 C4' DT A 10 37.508 38.530 28.433 1.00 0.00 C ATOM 291 O4' DT A 10 36.279 37.823 28.332 1.00 0.00 O ATOM 292 C3' DT A 10 37.320 39.734 27.504 1.00 0.00 C ATOM 293 O3' DT A 10 38.528 40.334 27.062 1.00 0.00 O ATOM 294 C2' DT A 10 36.623 39.053 26.332 1.00 0.00 C ATOM 295 C1' DT A 10 35.819 37.931 26.990 1.00 0.00 C ATOM 296 N1 DT A 10 34.358 38.196 26.937 1.00 0.00 N ATOM 297 C2 DT A 10 33.647 37.682 25.846 1.00 0.00 C ATOM 298 O2 DT A 10 34.163 37.039 24.931 1.00 0.00 O ATOM 299 N3 DT A 10 32.301 37.944 25.811 1.00 0.00 N ATOM 300 C4 DT A 10 31.596 38.673 26.736 1.00 0.00 C ATOM 301 O4 DT A 10 30.381 38.771 26.587 1.00 0.00 O ATOM 302 C5 DT A 10 32.405 39.243 27.816 1.00 0.00 C ATOM 303 C7 DT A 10 31.766 40.089 28.906 1.00 0.00 C ATOM 304 C6 DT A 10 33.739 38.986 27.885 1.00 0.00 C ATOM 0 H5' DT A 10 37.790 37.985 30.499 1.00 0.00 H new ATOM 0 H5'' DT A 10 38.880 39.238 29.937 1.00 0.00 H new ATOM 0 H4' DT A 10 38.373 37.942 28.128 1.00 0.00 H new ATOM 0 H3' DT A 10 36.794 40.558 27.986 1.00 0.00 H new ATOM 0 H2' DT A 10 35.977 39.746 25.793 1.00 0.00 H new ATOM 0 H2'' DT A 10 37.341 38.661 25.612 1.00 0.00 H new ATOM 0 H1' DT A 10 35.969 36.993 26.455 1.00 0.00 H new ATOM 0 H3 DT A 10 31.775 37.562 25.025 1.00 0.00 H new ATOM 0 H71 DT A 10 32.330 39.977 29.832 1.00 0.00 H new ATOM 0 H72 DT A 10 31.770 41.136 28.603 1.00 0.00 H new ATOM 0 H73 DT A 10 30.739 39.762 29.065 1.00 0.00 H new ATOM 0 H6 DT A 10 34.322 39.405 28.692 1.00 0.00 H new ATOM 317 P DC A 11 38.614 41.922 26.805 1.00 0.00 P ATOM 318 OP1 DC A 11 39.958 42.216 26.246 1.00 0.00 O ATOM 319 OP2 DC A 11 38.194 42.622 28.044 1.00 0.00 O ATOM 320 O5' DC A 11 37.498 42.209 25.670 1.00 0.00 O ATOM 321 C5' DC A 11 37.764 42.039 24.280 1.00 0.00 C ATOM 322 C4' DC A 11 36.546 42.348 23.389 1.00 0.00 C ATOM 323 O4' DC A 11 35.503 41.397 23.574 1.00 0.00 O ATOM 324 C3' DC A 11 35.869 43.693 23.697 1.00 0.00 C ATOM 325 O3' DC A 11 36.505 44.909 23.286 1.00 0.00 O ATOM 326 C2' DC A 11 34.467 43.482 23.136 1.00 0.00 C ATOM 327 C1' DC A 11 34.308 41.955 23.042 1.00 0.00 C ATOM 328 N1 DC A 11 33.111 41.522 23.810 1.00 0.00 N ATOM 329 C2 DC A 11 31.969 41.088 23.117 1.00 0.00 C ATOM 330 O2 DC A 11 32.006 40.711 21.944 1.00 0.00 O ATOM 331 N3 DC A 11 30.757 41.080 23.721 1.00 0.00 N ATOM 332 C4 DC A 11 30.681 41.491 24.971 1.00 0.00 C ATOM 333 N4 DC A 11 29.497 41.490 25.502 1.00 0.00 N ATOM 334 C5 DC A 11 31.807 41.883 25.741 1.00 0.00 C ATOM 335 C6 DC A 11 33.019 41.851 25.139 1.00 0.00 C ATOM 0 H5' DC A 11 38.087 41.013 24.101 1.00 0.00 H new ATOM 0 H5'' DC A 11 38.591 42.688 23.992 1.00 0.00 H new ATOM 0 H4' DC A 11 36.969 42.341 22.384 1.00 0.00 H new ATOM 0 H3' DC A 11 35.913 43.899 24.766 1.00 0.00 H new ATOM 0 H2' DC A 11 33.710 43.919 23.787 1.00 0.00 H new ATOM 0 H2'' DC A 11 34.357 43.952 22.159 1.00 0.00 H new ATOM 0 H1' DC A 11 34.159 41.621 22.015 1.00 0.00 H new ATOM 0 H41 DC A 11 29.370 41.797 26.467 1.00 0.00 H new ATOM 0 H42 DC A 11 28.693 41.182 24.955 1.00 0.00 H new ATOM 0 H5 DC A 11 31.701 42.195 26.769 1.00 0.00 H new ATOM 0 H6 DC A 11 33.910 42.084 25.703 1.00 0.00 H new ATOM 347 P DG A 12 37.065 45.256 21.801 1.00 0.00 P ATOM 348 OP1 DG A 12 38.104 44.258 21.449 1.00 0.00 O ATOM 349 OP2 DG A 12 37.452 46.688 21.827 1.00 0.00 O ATOM 350 O5' DG A 12 35.830 45.127 20.765 1.00 0.00 O ATOM 351 C5' DG A 12 35.746 44.085 19.793 1.00 0.00 C ATOM 352 C4' DG A 12 34.390 44.034 19.059 1.00 0.00 C ATOM 353 O4' DG A 12 33.363 43.491 19.897 1.00 0.00 O ATOM 354 C3' DG A 12 33.898 45.408 18.561 1.00 0.00 C ATOM 355 O3' DG A 12 33.354 45.334 17.245 1.00 0.00 O ATOM 356 C2' DG A 12 32.793 45.712 19.568 1.00 0.00 C ATOM 357 C1' DG A 12 32.209 44.314 19.785 1.00 0.00 C ATOM 358 N9 DG A 12 31.325 44.222 20.977 1.00 0.00 N ATOM 359 C8 DG A 12 31.484 44.821 22.205 1.00 0.00 C ATOM 360 N7 DG A 12 30.500 44.620 23.041 1.00 0.00 N ATOM 361 C5 DG A 12 29.600 43.837 22.306 1.00 0.00 C ATOM 362 C6 DG A 12 28.299 43.311 22.642 1.00 0.00 C ATOM 363 O6 DG A 12 27.649 43.426 23.683 1.00 0.00 O ATOM 364 N1 DG A 12 27.712 42.597 21.619 1.00 0.00 N ATOM 365 C2 DG A 12 28.280 42.411 20.407 1.00 0.00 C ATOM 366 N2 DG A 12 27.576 41.743 19.531 1.00 0.00 N ATOM 367 N3 DG A 12 29.473 42.882 20.041 1.00 0.00 N ATOM 368 C4 DG A 12 30.096 43.588 21.040 1.00 0.00 C ATOM 0 H5' DG A 12 35.921 43.127 20.283 1.00 0.00 H new ATOM 0 H5'' DG A 12 36.542 44.218 19.060 1.00 0.00 H new ATOM 0 H4' DG A 12 34.574 43.396 18.195 1.00 0.00 H new ATOM 0 H3' DG A 12 34.689 46.156 18.501 1.00 0.00 H new ATOM 0 H2' DG A 12 33.182 46.145 20.490 1.00 0.00 H new ATOM 0 H2'' DG A 12 32.056 46.411 19.174 1.00 0.00 H new ATOM 0 HO3' DG A 12 33.052 46.223 16.965 1.00 0.00 H new ATOM 0 H1' DG A 12 31.549 44.013 18.971 1.00 0.00 H new ATOM 0 H8 DG A 12 32.353 45.410 22.458 1.00 0.00 H new ATOM 0 H1 DG A 12 26.794 42.185 21.787 1.00 0.00 H new ATOM 0 H21 DG A 12 27.952 41.571 18.599 1.00 0.00 H new ATOM 0 H22 DG A 12 26.650 41.394 19.780 1.00 0.00 H new TER 381 DG A 12 HETATM 382 N1 DCZ B 13 23.344 39.918 21.706 1.00 0.00 N HETATM 383 C2 DCZ B 13 24.486 40.680 21.416 1.00 0.00 C HETATM 384 N3 DCZ B 13 25.199 41.269 22.408 1.00 0.00 N HETATM 385 C4 DCZ B 13 24.823 41.063 23.655 1.00 0.00 C HETATM 386 C5 DCZ B 13 23.722 40.243 24.021 1.00 0.00 C HETATM 387 C6 DCZ B 13 23.006 39.680 23.017 1.00 0.00 C HETATM 388 O2 DCZ B 13 24.894 40.852 20.265 1.00 0.00 O HETATM 389 N4 DCZ B 13 25.499 41.698 24.569 1.00 0.00 N HETATM 390 C1' DCZ B 13 22.475 39.421 20.597 1.00 0.00 C HETATM 391 C2' DCZ B 13 22.578 37.907 20.417 1.00 0.00 C HETATM 392 C3' DCZ B 13 21.196 37.511 19.910 1.00 0.00 C HETATM 393 C4' DCZ B 13 20.294 38.574 20.547 1.00 0.00 C HETATM 394 O4' DCZ B 13 21.110 39.692 20.900 1.00 0.00 O HETATM 395 O3' DCZ B 13 21.124 37.547 18.489 1.00 0.00 O HETATM 396 C5' DCZ B 13 19.510 38.040 21.763 1.00 0.00 C HETATM 397 O5' DCZ B 13 20.327 37.407 22.749 1.00 0.00 O HETATM 0 HO51 DCZ B 13 19.765 37.096 23.489 1.00 0.00 H new HETATM 0 HN42 DCZ B 13 25.259 41.582 25.554 1.00 0.00 H new HETATM 0 HN41 DCZ B 13 26.269 42.311 24.300 1.00 0.00 H new HETATM 0 H5'2 DCZ B 13 18.973 38.867 22.228 1.00 0.00 H new HETATM 0 H5'1 DCZ B 13 18.761 37.328 21.415 1.00 0.00 H new HETATM 0 H2'2 DCZ B 13 23.358 37.640 19.704 1.00 0.00 H new HETATM 0 H2'1 DCZ B 13 22.819 37.407 21.355 1.00 0.00 H new HETATM 0 H6 DCZ B 13 22.158 39.036 23.250 1.00 0.00 H new HETATM 0 H5 DCZ B 13 23.464 40.074 25.066 1.00 0.00 H new HETATM 0 H4' DCZ B 13 19.535 38.874 19.824 1.00 0.00 H new HETATM 0 H3' DCZ B 13 20.917 36.490 20.171 1.00 0.00 H new HETATM 0 H1' DCZ B 13 22.810 39.927 19.691 1.00 0.00 H new ATOM 410 P DG B 14 21.068 36.175 17.648 1.00 0.00 P ATOM 411 OP1 DG B 14 20.940 36.512 16.208 1.00 0.00 O ATOM 412 OP2 DG B 14 20.058 35.280 18.268 1.00 0.00 O ATOM 413 O5' DG B 14 22.531 35.566 17.929 1.00 0.00 O ATOM 414 C5' DG B 14 23.651 35.891 17.115 1.00 0.00 C ATOM 415 C4' DG B 14 24.996 35.515 17.761 1.00 0.00 C ATOM 416 O4' DG B 14 25.432 36.517 18.682 1.00 0.00 O ATOM 417 C3' DG B 14 24.961 34.174 18.521 1.00 0.00 C ATOM 418 O3' DG B 14 26.048 33.322 18.200 1.00 0.00 O ATOM 419 C2' DG B 14 25.086 34.655 19.962 1.00 0.00 C ATOM 420 C1' DG B 14 26.029 35.848 19.780 1.00 0.00 C ATOM 421 N9 DG B 14 26.153 36.720 20.980 1.00 0.00 N ATOM 422 C8 DG B 14 25.378 36.732 22.118 1.00 0.00 C ATOM 423 N7 DG B 14 25.763 37.586 23.028 1.00 0.00 N ATOM 424 C5 DG B 14 26.902 38.173 22.465 1.00 0.00 C ATOM 425 C6 DG B 14 27.818 39.149 22.993 1.00 0.00 C ATOM 426 O6 DG B 14 27.796 39.728 24.077 1.00 0.00 O ATOM 427 N1 DG B 14 28.872 39.430 22.153 1.00 0.00 N ATOM 428 C2 DG B 14 29.043 38.851 20.942 1.00 0.00 C ATOM 429 N2 DG B 14 30.128 39.180 20.293 1.00 0.00 N ATOM 430 N3 DG B 14 28.221 37.948 20.405 1.00 0.00 N ATOM 431 C4 DG B 14 27.156 37.644 21.216 1.00 0.00 C ATOM 0 H5' DG B 14 23.642 36.961 16.905 1.00 0.00 H new ATOM 0 H5'' DG B 14 23.558 35.378 16.158 1.00 0.00 H new ATOM 0 H4' DG B 14 25.687 35.427 16.923 1.00 0.00 H new ATOM 0 H3' DG B 14 24.076 33.580 18.291 1.00 0.00 H new ATOM 0 H2' DG B 14 24.125 34.947 20.386 1.00 0.00 H new ATOM 0 H2'' DG B 14 25.505 33.892 20.618 1.00 0.00 H new ATOM 0 H1' DG B 14 27.063 35.546 19.617 1.00 0.00 H new ATOM 0 H8 DG B 14 24.521 36.087 22.248 1.00 0.00 H new ATOM 0 H1 DG B 14 29.563 40.114 22.461 1.00 0.00 H new ATOM 0 H21 DG B 14 30.315 38.778 19.375 1.00 0.00 H new ATOM 0 H22 DG B 14 30.788 39.839 20.705 1.00 0.00 H new ATOM 443 P DA B 15 25.957 32.331 16.938 1.00 0.00 P ATOM 444 OP1 DA B 15 25.713 33.137 15.715 1.00 0.00 O ATOM 445 OP2 DA B 15 25.001 31.249 17.280 1.00 0.00 O ATOM 446 O5' DA B 15 27.417 31.664 16.822 1.00 0.00 O ATOM 447 C5' DA B 15 28.586 32.412 16.499 1.00 0.00 C ATOM 448 C4' DA B 15 29.482 32.725 17.712 1.00 0.00 C ATOM 449 O4' DA B 15 28.996 33.772 18.549 1.00 0.00 O ATOM 450 C3' DA B 15 29.687 31.545 18.670 1.00 0.00 C ATOM 451 O3' DA B 15 30.645 30.587 18.230 1.00 0.00 O ATOM 452 C2' DA B 15 30.171 32.282 19.913 1.00 0.00 C ATOM 453 C1' DA B 15 29.838 33.751 19.689 1.00 0.00 C ATOM 454 N9 DA B 15 29.266 34.343 20.915 1.00 0.00 N ATOM 455 C8 DA B 15 28.143 33.963 21.607 1.00 0.00 C ATOM 456 N7 DA B 15 27.965 34.599 22.737 1.00 0.00 N ATOM 457 C5 DA B 15 29.095 35.432 22.809 1.00 0.00 C ATOM 458 C6 DA B 15 29.596 36.367 23.747 1.00 0.00 C ATOM 459 N6 DA B 15 28.995 36.725 24.867 1.00 0.00 N ATOM 460 N1 DA B 15 30.749 37.002 23.540 1.00 0.00 N ATOM 461 C2 DA B 15 31.425 36.729 22.432 1.00 0.00 C ATOM 462 N3 DA B 15 31.090 35.884 21.464 1.00 0.00 N ATOM 463 C4 DA B 15 29.897 35.269 21.712 1.00 0.00 C ATOM 0 H5' DA B 15 28.287 33.349 16.029 1.00 0.00 H new ATOM 0 H5'' DA B 15 29.168 31.858 15.763 1.00 0.00 H new ATOM 0 H4' DA B 15 30.410 33.005 17.213 1.00 0.00 H new ATOM 0 H3' DA B 15 28.791 30.937 18.793 1.00 0.00 H new ATOM 0 H2' DA B 15 29.678 31.903 20.808 1.00 0.00 H new ATOM 0 H2'' DA B 15 31.243 32.143 20.056 1.00 0.00 H new ATOM 0 H1' DA B 15 30.708 34.377 19.492 1.00 0.00 H new ATOM 0 H8 DA B 15 27.464 33.203 21.249 1.00 0.00 H new ATOM 0 H61 DA B 15 29.433 37.409 25.485 1.00 0.00 H new ATOM 0 H62 DA B 15 28.093 36.318 25.114 1.00 0.00 H new ATOM 0 H2 DA B 15 32.358 37.256 22.302 1.00 0.00 H new ATOM 475 P DT B 16 31.005 29.273 19.108 1.00 0.00 P ATOM 476 OP1 DT B 16 31.785 28.351 18.245 1.00 0.00 O ATOM 477 OP2 DT B 16 29.759 28.773 19.742 1.00 0.00 O ATOM 478 O5' DT B 16 31.972 29.827 20.280 1.00 0.00 O ATOM 479 C5' DT B 16 33.257 30.373 19.986 1.00 0.00 C ATOM 480 C4' DT B 16 33.877 31.133 21.173 1.00 0.00 C ATOM 481 O4' DT B 16 33.050 32.195 21.639 1.00 0.00 O ATOM 482 C3' DT B 16 34.133 30.236 22.381 1.00 0.00 C ATOM 483 O3' DT B 16 35.383 29.578 22.225 1.00 0.00 O ATOM 484 C2' DT B 16 34.177 31.263 23.509 1.00 0.00 C ATOM 485 C1' DT B 16 33.230 32.373 23.038 1.00 0.00 C ATOM 486 N1 DT B 16 31.910 32.372 23.738 1.00 0.00 N ATOM 487 C2 DT B 16 31.740 33.266 24.804 1.00 0.00 C ATOM 488 O2 DT B 16 32.648 33.957 25.262 1.00 0.00 O ATOM 489 N3 DT B 16 30.483 33.357 25.355 1.00 0.00 N ATOM 490 C4 DT B 16 29.386 32.612 24.977 1.00 0.00 C ATOM 491 O4 DT B 16 28.307 32.818 25.533 1.00 0.00 O ATOM 492 C5 DT B 16 29.646 31.637 23.913 1.00 0.00 C ATOM 493 C7 DT B 16 28.528 30.728 23.426 1.00 0.00 C ATOM 494 C6 DT B 16 30.878 31.544 23.340 1.00 0.00 C ATOM 0 H5' DT B 16 33.172 31.048 19.135 1.00 0.00 H new ATOM 0 H5'' DT B 16 33.928 29.567 19.688 1.00 0.00 H new ATOM 0 H4' DT B 16 34.815 31.519 20.773 1.00 0.00 H new ATOM 0 H3' DT B 16 33.399 29.446 22.542 1.00 0.00 H new ATOM 0 H2' DT B 16 33.847 30.832 24.454 1.00 0.00 H new ATOM 0 H2'' DT B 16 35.187 31.640 23.666 1.00 0.00 H new ATOM 0 H1' DT B 16 33.676 33.339 23.275 1.00 0.00 H new ATOM 0 H3 DT B 16 30.351 34.033 26.107 1.00 0.00 H new ATOM 0 H71 DT B 16 28.689 30.484 22.376 1.00 0.00 H new ATOM 0 H72 DT B 16 28.522 29.811 24.015 1.00 0.00 H new ATOM 0 H73 DT B 16 27.571 31.237 23.538 1.00 0.00 H new ATOM 0 H6 DT B 16 31.051 30.813 22.564 1.00 0.00 H new ATOM 507 P DG B 17 35.557 28.004 22.502 1.00 0.00 P ATOM 508 OP1 DG B 17 36.905 27.601 22.027 1.00 0.00 O ATOM 509 OP2 DG B 17 34.370 27.282 21.982 1.00 0.00 O ATOM 510 O5' DG B 17 35.526 27.930 24.103 1.00 0.00 O ATOM 511 C5' DG B 17 36.627 28.357 24.895 1.00 0.00 C ATOM 512 C4' DG B 17 36.341 28.212 26.396 1.00 0.00 C ATOM 513 O4' DG B 17 35.348 29.147 26.800 1.00 0.00 O ATOM 514 C3' DG B 17 35.821 26.811 26.759 1.00 0.00 C ATOM 515 O3' DG B 17 36.332 26.362 28.004 1.00 0.00 O ATOM 516 C2' DG B 17 34.326 27.074 26.877 1.00 0.00 C ATOM 517 C1' DG B 17 34.328 28.468 27.509 1.00 0.00 C ATOM 518 N9 DG B 17 33.054 29.228 27.394 1.00 0.00 N ATOM 519 C8 DG B 17 32.085 29.162 26.419 1.00 0.00 C ATOM 520 N7 DG B 17 31.102 30.011 26.577 1.00 0.00 N ATOM 521 C5 DG B 17 31.436 30.690 27.756 1.00 0.00 C ATOM 522 C6 DG B 17 30.770 31.744 28.481 1.00 0.00 C ATOM 523 O6 DG B 17 29.711 32.316 28.235 1.00 0.00 O ATOM 524 N1 DG B 17 31.436 32.148 29.618 1.00 0.00 N ATOM 525 C2 DG B 17 32.598 31.606 30.035 1.00 0.00 C ATOM 526 N2 DG B 17 33.099 32.070 31.143 1.00 0.00 N ATOM 527 N3 DG B 17 33.264 30.650 29.391 1.00 0.00 N ATOM 528 C4 DG B 17 32.629 30.217 28.258 1.00 0.00 C ATOM 0 H5' DG B 17 36.856 29.398 24.668 1.00 0.00 H new ATOM 0 H5'' DG B 17 37.510 27.773 24.635 1.00 0.00 H new ATOM 0 H4' DG B 17 37.288 28.389 26.906 1.00 0.00 H new ATOM 0 H3' DG B 17 36.105 26.043 26.039 1.00 0.00 H new ATOM 0 H2' DG B 17 33.826 27.060 25.908 1.00 0.00 H new ATOM 0 H2'' DG B 17 33.825 26.337 27.504 1.00 0.00 H new ATOM 0 H1' DG B 17 34.477 28.382 28.585 1.00 0.00 H new ATOM 0 H8 DG B 17 32.132 28.468 25.593 1.00 0.00 H new ATOM 0 H1 DG B 17 31.027 32.899 30.175 1.00 0.00 H new ATOM 0 H21 DG B 17 33.976 31.694 31.503 1.00 0.00 H new ATOM 0 H22 DG B 17 32.614 32.809 31.652 1.00 0.00 H new ATOM 540 P DT B 18 37.764 25.635 28.100 1.00 0.00 P ATOM 541 OP1 DT B 18 38.695 26.232 27.110 1.00 0.00 O ATOM 542 OP2 DT B 18 37.539 24.168 28.084 1.00 0.00 O ATOM 543 O5' DT B 18 38.258 26.047 29.571 1.00 0.00 O ATOM 544 C5' DT B 18 38.516 27.404 29.923 1.00 0.00 C ATOM 545 C4' DT B 18 37.612 27.888 31.066 1.00 0.00 C ATOM 546 O4' DT B 18 36.259 28.064 30.669 1.00 0.00 O ATOM 547 C3' DT B 18 37.615 26.951 32.285 1.00 0.00 C ATOM 548 O3' DT B 18 38.226 27.612 33.387 1.00 0.00 O ATOM 549 C2' DT B 18 36.125 26.656 32.489 1.00 0.00 C ATOM 550 C1' DT B 18 35.465 27.859 31.823 1.00 0.00 C ATOM 551 N1 DT B 18 34.032 27.701 31.445 1.00 0.00 N ATOM 552 C2 DT B 18 33.109 28.630 31.950 1.00 0.00 C ATOM 553 O2 DT B 18 33.346 29.417 32.864 1.00 0.00 O ATOM 554 N3 DT B 18 31.858 28.634 31.383 1.00 0.00 N ATOM 555 C4 DT B 18 31.438 27.800 30.376 1.00 0.00 C ATOM 556 O4 DT B 18 30.356 28.026 29.843 1.00 0.00 O ATOM 557 C5 DT B 18 32.367 26.716 30.050 1.00 0.00 C ATOM 558 C7 DT B 18 31.928 25.591 29.126 1.00 0.00 C ATOM 559 C6 DT B 18 33.626 26.713 30.568 1.00 0.00 C ATOM 0 H5' DT B 18 38.366 28.039 29.050 1.00 0.00 H new ATOM 0 H5'' DT B 18 39.560 27.509 30.218 1.00 0.00 H new ATOM 0 H4' DT B 18 38.046 28.849 31.343 1.00 0.00 H new ATOM 0 H3' DT B 18 38.185 26.029 32.165 1.00 0.00 H new ATOM 0 H2' DT B 18 35.828 25.718 32.021 1.00 0.00 H new ATOM 0 H2'' DT B 18 35.865 26.582 33.545 1.00 0.00 H new ATOM 0 H1' DT B 18 35.429 28.692 32.525 1.00 0.00 H new ATOM 0 H3 DT B 18 31.185 29.313 31.739 1.00 0.00 H new ATOM 0 H71 DT B 18 32.792 25.208 28.583 1.00 0.00 H new ATOM 0 H72 DT B 18 31.485 24.788 29.715 1.00 0.00 H new ATOM 0 H73 DT B 18 31.192 25.969 28.416 1.00 0.00 H new ATOM 0 H6 DT B 18 34.316 25.929 30.290 1.00 0.00 H new ATOM 572 P DA B 19 38.912 26.794 34.601 1.00 0.00 P ATOM 573 OP1 DA B 19 39.891 27.693 35.262 1.00 0.00 O ATOM 574 OP2 DA B 19 39.378 25.473 34.108 1.00 0.00 O ATOM 575 O5' DA B 19 37.679 26.546 35.604 1.00 0.00 O ATOM 576 C5' DA B 19 37.187 27.607 36.408 1.00 0.00 C ATOM 577 C4' DA B 19 35.767 27.359 36.916 1.00 0.00 C ATOM 578 O4' DA B 19 34.839 27.303 35.843 1.00 0.00 O ATOM 579 C3' DA B 19 35.576 26.095 37.768 1.00 0.00 C ATOM 580 O3' DA B 19 35.301 26.499 39.105 1.00 0.00 O ATOM 581 C2' DA B 19 34.411 25.400 37.051 1.00 0.00 C ATOM 582 C1' DA B 19 33.740 26.537 36.282 1.00 0.00 C ATOM 583 N9 DA B 19 32.965 26.089 35.103 1.00 0.00 N ATOM 584 C8 DA B 19 33.348 25.201 34.125 1.00 0.00 C ATOM 585 N7 DA B 19 32.462 25.015 33.182 1.00 0.00 N ATOM 586 C5 DA B 19 31.412 25.858 33.578 1.00 0.00 C ATOM 587 C6 DA B 19 30.142 26.174 33.044 1.00 0.00 C ATOM 588 N6 DA B 19 29.658 25.661 31.933 1.00 0.00 N ATOM 589 N1 DA B 19 29.336 27.053 33.637 1.00 0.00 N ATOM 590 C2 DA B 19 29.756 27.617 34.758 1.00 0.00 C ATOM 591 N3 DA B 19 30.911 27.425 35.390 1.00 0.00 N ATOM 592 C4 DA B 19 31.707 26.523 34.739 1.00 0.00 C ATOM 0 H5' DA B 19 37.205 28.532 35.831 1.00 0.00 H new ATOM 0 H5'' DA B 19 37.852 27.750 37.259 1.00 0.00 H new ATOM 0 H4' DA B 19 35.583 28.213 37.567 1.00 0.00 H new ATOM 0 H3' DA B 19 36.429 25.422 37.853 1.00 0.00 H new ATOM 0 H2' DA B 19 34.762 24.615 36.382 1.00 0.00 H new ATOM 0 H2'' DA B 19 33.725 24.933 37.758 1.00 0.00 H new ATOM 0 H1' DA B 19 33.018 27.060 36.910 1.00 0.00 H new ATOM 0 H8 DA B 19 34.304 24.698 34.135 1.00 0.00 H new ATOM 0 H61 DA B 19 28.732 25.935 31.606 1.00 0.00 H new ATOM 0 H62 DA B 19 30.209 24.989 31.399 1.00 0.00 H new ATOM 0 H2 DA B 19 29.077 28.320 35.217 1.00 0.00 H new ATOM 604 P DC B 20 35.062 25.455 40.310 1.00 0.00 P ATOM 605 OP1 DC B 20 35.403 26.134 41.584 1.00 0.00 O ATOM 606 OP2 DC B 20 35.726 24.168 39.981 1.00 0.00 O ATOM 607 O5' DC B 20 33.469 25.235 40.254 1.00 0.00 O ATOM 608 C5' DC B 20 32.580 26.311 40.531 1.00 0.00 C ATOM 609 C4' DC B 20 31.121 25.971 40.202 1.00 0.00 C ATOM 610 O4' DC B 20 30.930 25.746 38.809 1.00 0.00 O ATOM 611 C3' DC B 20 30.622 24.723 40.949 1.00 0.00 C ATOM 612 O3' DC B 20 29.664 25.100 41.932 1.00 0.00 O ATOM 613 C2' DC B 20 30.072 23.855 39.811 1.00 0.00 C ATOM 614 C1' DC B 20 29.844 24.850 38.668 1.00 0.00 C ATOM 615 N1 DC B 20 29.867 24.239 37.304 1.00 0.00 N ATOM 616 C2 DC B 20 28.772 24.399 36.435 1.00 0.00 C ATOM 617 O2 DC B 20 27.755 25.015 36.761 1.00 0.00 O ATOM 618 N3 DC B 20 28.793 23.874 35.180 1.00 0.00 N ATOM 619 C4 DC B 20 29.867 23.210 34.800 1.00 0.00 C ATOM 620 N4 DC B 20 29.867 22.752 33.580 1.00 0.00 N ATOM 621 C5 DC B 20 31.011 23.030 35.620 1.00 0.00 C ATOM 622 C6 DC B 20 30.978 23.559 36.869 1.00 0.00 C ATOM 0 H5' DC B 20 32.884 27.186 39.956 1.00 0.00 H new ATOM 0 H5'' DC B 20 32.658 26.580 41.585 1.00 0.00 H new ATOM 0 H4' DC B 20 30.548 26.840 40.525 1.00 0.00 H new ATOM 0 H3' DC B 20 31.374 24.180 41.521 1.00 0.00 H new ATOM 0 H2' DC B 20 30.778 23.074 39.527 1.00 0.00 H new ATOM 0 H2'' DC B 20 29.146 23.358 40.099 1.00 0.00 H new ATOM 0 H1' DC B 20 28.854 25.301 38.739 1.00 0.00 H new ATOM 0 H41 DC B 20 30.671 22.231 33.231 1.00 0.00 H new ATOM 0 H42 DC B 20 29.063 22.915 32.974 1.00 0.00 H new ATOM 0 H5 DC B 20 31.876 22.492 35.263 1.00 0.00 H new ATOM 0 H6 DC B 20 31.829 23.445 37.524 1.00 0.00 H new ATOM 634 P DA B 21 29.111 24.071 43.052 1.00 0.00 P ATOM 635 OP1 DA B 21 28.699 24.860 44.240 1.00 0.00 O ATOM 636 OP2 DA B 21 30.086 22.967 43.230 1.00 0.00 O ATOM 637 O5' DA B 21 27.793 23.473 42.352 1.00 0.00 O ATOM 638 C5' DA B 21 26.671 24.309 42.094 1.00 0.00 C ATOM 639 C4' DA B 21 25.797 23.783 40.951 1.00 0.00 C ATOM 640 O4' DA B 21 26.569 23.590 39.775 1.00 0.00 O ATOM 641 C3' DA B 21 25.146 22.422 41.211 1.00 0.00 C ATOM 642 O3' DA B 21 23.958 22.541 41.988 1.00 0.00 O ATOM 643 C2' DA B 21 24.873 21.949 39.782 1.00 0.00 C ATOM 644 C1' DA B 21 25.781 22.807 38.904 1.00 0.00 C ATOM 645 N9 DA B 21 26.597 22.025 37.957 1.00 0.00 N ATOM 646 C8 DA B 21 27.781 21.366 38.177 1.00 0.00 C ATOM 647 N7 DA B 21 28.271 20.778 37.114 1.00 0.00 N ATOM 648 C5 DA B 21 27.306 21.055 36.129 1.00 0.00 C ATOM 649 C6 DA B 21 27.147 20.730 34.759 1.00 0.00 C ATOM 650 N6 DA B 21 28.004 20.022 34.051 1.00 0.00 N ATOM 651 N1 DA B 21 26.083 21.134 34.062 1.00 0.00 N ATOM 652 C2 DA B 21 25.173 21.857 34.698 1.00 0.00 C ATOM 653 N3 DA B 21 25.172 22.246 35.967 1.00 0.00 N ATOM 654 C4 DA B 21 26.280 21.808 36.635 1.00 0.00 C ATOM 0 H5' DA B 21 27.019 25.313 41.849 1.00 0.00 H new ATOM 0 H5'' DA B 21 26.069 24.392 42.999 1.00 0.00 H new ATOM 0 H4' DA B 21 25.025 24.546 40.853 1.00 0.00 H new ATOM 0 H3' DA B 21 25.757 21.732 41.792 1.00 0.00 H new ATOM 0 H2' DA B 21 25.099 20.889 39.667 1.00 0.00 H new ATOM 0 H2'' DA B 21 23.825 22.082 39.515 1.00 0.00 H new ATOM 0 H1' DA B 21 25.173 23.439 38.257 1.00 0.00 H new ATOM 0 H8 DA B 21 28.266 21.335 39.142 1.00 0.00 H new ATOM 0 H61 DA B 21 27.817 19.830 33.067 1.00 0.00 H new ATOM 0 H62 DA B 21 28.854 19.666 34.487 1.00 0.00 H new ATOM 0 H2 DA B 21 24.324 22.170 34.109 1.00 0.00 H new ATOM 666 P DT B 22 23.061 21.262 42.410 1.00 0.00 P ATOM 667 OP1 DT B 22 22.167 21.683 43.517 1.00 0.00 O ATOM 668 OP2 DT B 22 23.958 20.099 42.622 1.00 0.00 O ATOM 669 O5' DT B 22 22.148 20.963 41.112 1.00 0.00 O ATOM 670 C5' DT B 22 21.238 21.942 40.621 1.00 0.00 C ATOM 671 C4' DT B 22 20.504 21.508 39.344 1.00 0.00 C ATOM 672 O4' DT B 22 21.432 21.246 38.294 1.00 0.00 O ATOM 673 C3' DT B 22 19.636 20.253 39.532 1.00 0.00 C ATOM 674 O3' DT B 22 18.318 20.497 39.049 1.00 0.00 O ATOM 675 C2' DT B 22 20.373 19.217 38.688 1.00 0.00 C ATOM 676 C1' DT B 22 21.009 20.084 37.606 1.00 0.00 C ATOM 677 N1 DT B 22 22.164 19.419 36.940 1.00 0.00 N ATOM 678 C2 DT B 22 22.020 19.000 35.608 1.00 0.00 C ATOM 679 O2 DT B 22 20.995 19.167 34.946 1.00 0.00 O ATOM 680 N3 DT B 22 23.100 18.365 35.040 1.00 0.00 N ATOM 681 C4 DT B 22 24.297 18.095 35.664 1.00 0.00 C ATOM 682 O4 DT B 22 25.179 17.519 35.032 1.00 0.00 O ATOM 683 C5 DT B 22 24.377 18.534 37.056 1.00 0.00 C ATOM 684 C7 DT B 22 25.645 18.282 37.855 1.00 0.00 C ATOM 685 C6 DT B 22 23.330 19.177 37.640 1.00 0.00 C ATOM 0 H5' DT B 22 21.782 22.865 40.422 1.00 0.00 H new ATOM 0 H5'' DT B 22 20.504 22.165 41.395 1.00 0.00 H new ATOM 0 H4' DT B 22 19.848 22.341 39.091 1.00 0.00 H new ATOM 0 H3' DT B 22 19.511 19.938 40.568 1.00 0.00 H new ATOM 0 H2' DT B 22 21.120 18.675 39.268 1.00 0.00 H new ATOM 0 H2'' DT B 22 19.694 18.474 38.269 1.00 0.00 H new ATOM 0 H1' DT B 22 20.303 20.292 36.802 1.00 0.00 H new ATOM 0 H3 DT B 22 23.005 18.067 34.069 1.00 0.00 H new ATOM 0 H71 DT B 22 25.767 19.067 38.601 1.00 0.00 H new ATOM 0 H72 DT B 22 25.575 17.315 38.354 1.00 0.00 H new ATOM 0 H73 DT B 22 26.504 18.283 37.184 1.00 0.00 H new ATOM 0 H6 DT B 22 23.412 19.503 38.666 1.00 0.00 H new ATOM 698 P DC B 23 17.048 19.623 39.531 1.00 0.00 P ATOM 699 OP1 DC B 23 15.824 20.419 39.265 1.00 0.00 O ATOM 700 OP2 DC B 23 17.292 19.139 40.913 1.00 0.00 O ATOM 701 O5' DC B 23 17.057 18.344 38.549 1.00 0.00 O ATOM 702 C5' DC B 23 16.457 18.393 37.259 1.00 0.00 C ATOM 703 C4' DC B 23 16.612 17.082 36.477 1.00 0.00 C ATOM 704 O4' DC B 23 17.956 16.901 36.042 1.00 0.00 O ATOM 705 C3' DC B 23 16.192 15.830 37.271 1.00 0.00 C ATOM 706 O3' DC B 23 15.078 15.206 36.640 1.00 0.00 O ATOM 707 C2' DC B 23 17.476 14.992 37.262 1.00 0.00 C ATOM 708 C1' DC B 23 18.236 15.515 36.041 1.00 0.00 C ATOM 709 N1 DC B 23 19.713 15.307 36.114 1.00 0.00 N ATOM 710 C2 DC B 23 20.372 14.626 35.079 1.00 0.00 C ATOM 711 O2 DC B 23 19.772 14.162 34.110 1.00 0.00 O ATOM 712 N3 DC B 23 21.716 14.445 35.111 1.00 0.00 N ATOM 713 C4 DC B 23 22.390 14.936 36.129 1.00 0.00 C ATOM 714 N4 DC B 23 23.675 14.742 36.107 1.00 0.00 N ATOM 715 C5 DC B 23 21.791 15.651 37.200 1.00 0.00 C ATOM 716 C6 DC B 23 20.445 15.813 37.161 1.00 0.00 C ATOM 0 H5' DC B 23 16.904 19.206 36.687 1.00 0.00 H new ATOM 0 H5'' DC B 23 15.397 18.623 37.366 1.00 0.00 H new ATOM 0 H4' DC B 23 15.938 17.183 35.626 1.00 0.00 H new ATOM 0 H3' DC B 23 15.846 16.012 38.289 1.00 0.00 H new ATOM 0 H2' DC B 23 18.049 15.126 38.179 1.00 0.00 H new ATOM 0 H2'' DC B 23 17.260 13.927 37.174 1.00 0.00 H new ATOM 0 H1' DC B 23 17.923 14.985 35.141 1.00 0.00 H new ATOM 0 H41 DC B 23 24.257 15.097 36.866 1.00 0.00 H new ATOM 0 H42 DC B 23 24.101 14.235 35.331 1.00 0.00 H new ATOM 0 H5 DC B 23 22.382 16.049 38.011 1.00 0.00 H new ATOM 0 H6 DC B 23 19.945 16.343 37.958 1.00 0.00 H new ATOM 728 P DG B 24 14.287 13.959 37.298 1.00 0.00 P ATOM 729 OP1 DG B 24 12.903 13.955 36.763 1.00 0.00 O ATOM 730 OP2 DG B 24 14.490 13.968 38.769 1.00 0.00 O ATOM 731 O5' DG B 24 15.078 12.701 36.684 1.00 0.00 O ATOM 732 C5' DG B 24 15.019 12.416 35.290 1.00 0.00 C ATOM 733 C4' DG B 24 16.165 11.507 34.826 1.00 0.00 C ATOM 734 O4' DG B 24 17.425 12.107 35.081 1.00 0.00 O ATOM 735 C3' DG B 24 16.225 10.157 35.547 1.00 0.00 C ATOM 736 O3' DG B 24 15.371 9.181 34.955 1.00 0.00 O ATOM 737 C2' DG B 24 17.696 9.775 35.381 1.00 0.00 C ATOM 738 C1' DG B 24 18.399 11.082 34.988 1.00 0.00 C ATOM 739 N9 DG B 24 19.566 11.370 35.851 1.00 0.00 N ATOM 740 C8 DG B 24 19.590 11.839 37.142 1.00 0.00 C ATOM 741 N7 DG B 24 20.790 11.934 37.657 1.00 0.00 N ATOM 742 C5 DG B 24 21.628 11.475 36.626 1.00 0.00 C ATOM 743 C6 DG B 24 23.059 11.295 36.556 1.00 0.00 C ATOM 744 O6 DG B 24 23.918 11.512 37.413 1.00 0.00 O ATOM 745 N1 DG B 24 23.494 10.785 35.345 1.00 0.00 N ATOM 746 C2 DG B 24 22.663 10.469 34.321 1.00 0.00 C ATOM 747 N2 DG B 24 23.189 9.934 33.250 1.00 0.00 N ATOM 748 N3 DG B 24 21.342 10.619 34.336 1.00 0.00 N ATOM 749 C4 DG B 24 20.882 11.130 35.519 1.00 0.00 C ATOM 0 H5' DG B 24 15.052 13.351 34.730 1.00 0.00 H new ATOM 0 H5'' DG B 24 14.066 11.940 35.060 1.00 0.00 H new ATOM 0 H4' DG B 24 15.964 11.358 33.765 1.00 0.00 H new ATOM 0 H3' DG B 24 15.888 10.212 36.582 1.00 0.00 H new ATOM 0 H2' DG B 24 18.106 9.368 36.305 1.00 0.00 H new ATOM 0 H2'' DG B 24 17.822 9.012 34.613 1.00 0.00 H new ATOM 0 HO3' DG B 24 15.446 8.338 35.449 1.00 0.00 H new ATOM 0 H1' DG B 24 18.798 11.007 33.976 1.00 0.00 H new ATOM 0 H8 DG B 24 18.696 12.106 37.685 1.00 0.00 H new ATOM 0 H1 DG B 24 24.495 10.639 35.216 1.00 0.00 H new ATOM 0 H21 DG B 24 22.594 9.684 32.460 1.00 0.00 H new ATOM 0 H22 DG B 24 24.194 9.767 33.204 1.00 0.00 H new TER 762 DG B 24 HETATM 763 O81 9TK A 101 23.007 29.867 38.168 1.00 0.00 O HETATM 764 C81 9TK A 101 23.611 29.284 37.274 1.00 0.00 C HETATM 765 C83 9TK A 101 21.415 26.969 35.500 1.00 0.00 C HETATM 766 N81 9TK A 101 21.655 27.871 36.509 1.00 0.00 N HETATM 767 C88 9TK A 101 20.636 28.302 37.477 1.00 0.00 C HETATM 768 C82 9TK A 101 22.999 28.227 36.394 1.00 0.00 C HETATM 769 N82 9TK A 101 23.597 27.550 35.416 1.00 0.00 N HETATM 770 C84 9TK A 101 22.606 26.774 34.861 1.00 0.00 C HETATM 776 N PYB A 102 24.939 29.582 36.967 1.00 0.00 N HETATM 777 CA PYB A 102 25.770 30.507 37.596 1.00 0.00 C HETATM 778 CB1 PYB A 102 27.085 30.849 37.181 1.00 0.00 C HETATM 779 CB PYB A 102 25.459 31.236 38.712 1.00 0.00 C HETATM 780 CG1 PYB A 102 27.566 31.791 38.064 1.00 0.00 C HETATM 781 NG2 PYB A 102 26.538 32.066 38.977 1.00 0.00 N HETATM 782 CD PYB A 102 26.480 33.122 39.999 1.00 0.00 C HETATM 783 C PYB A 102 28.905 32.436 38.198 1.00 0.00 C HETATM 784 O PYB A 102 29.190 33.103 39.184 1.00 0.00 O HETATM 0 HD3 PYB A 102 25.688 33.828 39.748 1.00 0.00 H new HETATM 0 HD2 PYB A 102 26.274 32.676 40.972 1.00 0.00 H new HETATM 0 HD1 PYB A 102 27.435 33.646 40.035 1.00 0.00 H new HETATM 0 HB1 PYB A 102 27.616 30.441 36.321 1.00 0.00 H new HETATM 0 HB PYB A 102 24.534 31.175 39.286 1.00 0.00 H new HETATM 0 H PYB A 102 25.264 29.087 36.136 1.00 0.00 H new HETATM 791 N PYB A 103 29.817 32.264 37.160 1.00 0.00 N HETATM 792 CA PYB A 103 31.141 32.720 37.174 1.00 0.00 C HETATM 793 CB1 PYB A 103 31.969 32.967 36.045 1.00 0.00 C HETATM 794 CB PYB A 103 31.850 33.040 38.302 1.00 0.00 C HETATM 795 CG1 PYB A 103 33.161 33.493 36.503 1.00 0.00 C HETATM 796 NG2 PYB A 103 33.084 33.524 37.904 1.00 0.00 N HETATM 797 CD PYB A 103 34.089 33.990 38.873 1.00 0.00 C HETATM 798 C PYB A 103 34.394 33.956 35.794 1.00 0.00 C HETATM 799 O PYB A 103 35.383 34.333 36.408 1.00 0.00 O HETATM 0 HD3 PYB A 103 33.679 34.817 39.453 1.00 0.00 H new HETATM 0 HD2 PYB A 103 34.354 33.173 39.544 1.00 0.00 H new HETATM 0 HD1 PYB A 103 34.979 34.326 38.341 1.00 0.00 H new HETATM 0 HB1 PYB A 103 31.709 32.775 35.004 1.00 0.00 H new HETATM 0 HB PYB A 103 31.504 32.932 39.330 1.00 0.00 H new HETATM 0 H PYB A 103 29.352 32.074 36.272 1.00 0.00 H new HETATM 806 N PYB A 104 34.381 33.957 34.402 1.00 0.00 N HETATM 807 CA PYB A 104 35.462 34.283 33.569 1.00 0.00 C HETATM 808 CB1 PYB A 104 35.411 34.378 32.153 1.00 0.00 C HETATM 809 CB PYB A 104 36.749 34.555 33.964 1.00 0.00 C HETATM 810 CG1 PYB A 104 36.672 34.713 31.707 1.00 0.00 C HETATM 811 NG2 PYB A 104 37.495 34.838 32.829 1.00 0.00 N HETATM 812 CD PYB A 104 38.932 35.149 32.867 1.00 0.00 C HETATM 813 C PYB A 104 37.209 34.867 30.327 1.00 0.00 C HETATM 814 O PYB A 104 38.344 35.230 30.058 1.00 0.00 O HETATM 0 HD3 PYB A 104 39.096 36.036 33.478 1.00 0.00 H new HETATM 0 HD2 PYB A 104 39.475 34.307 33.296 1.00 0.00 H new HETATM 0 HD1 PYB A 104 39.291 35.334 31.855 1.00 0.00 H new HETATM 0 HB1 PYB A 104 34.532 34.215 31.530 1.00 0.00 H new HETATM 0 HB PYB A 104 37.119 34.549 34.989 1.00 0.00 H new HETATM 0 H PYB A 104 33.465 33.765 33.997 1.00 0.00 H new HETATM 821 N ABU A 105 36.344 34.508 29.321 1.00 0.00 N HETATM 822 CA ABU A 105 36.779 34.430 27.916 1.00 0.00 C HETATM 823 CB ABU A 105 35.864 33.565 27.024 1.00 0.00 C HETATM 824 CG ABU A 105 35.924 32.032 27.277 1.00 0.00 C HETATM 825 CD ABU A 105 36.782 31.581 28.464 1.00 0.00 C HETATM 826 OE1 ABU A 105 37.992 31.449 28.364 1.00 0.00 O HETATM 0 H ABU A 105 35.362 34.275 29.471 1.00 0.00 H new HETATM 0 HB1 ABU A 105 34.835 33.897 27.162 1.00 0.00 H new HETATM 0 HB2 ABU A 105 36.122 33.752 25.982 1.00 0.00 H new HETATM 0 HG1 ABU A 105 35.242 31.524 26.595 1.00 0.00 H new HETATM 0 HG2 ABU A 105 36.940 31.675 27.107 1.00 0.00 H new HETATM 0 HE2 ABU A 105 35.632 31.821 28.306 1.00 0.00 H new HETATM 834 N IMT A 106 36.094 31.380 29.637 1.00 0.00 N HETATM 835 CA IMT A 106 36.584 31.308 30.914 1.00 0.00 C HETATM 836 NB1 IMT A 106 35.807 31.105 32.021 1.00 0.00 N HETATM 837 CB IMT A 106 37.893 31.507 31.265 1.00 0.00 C HETATM 838 CG1 IMT A 106 36.641 31.166 33.057 1.00 0.00 C HETATM 839 NG2 IMT A 106 37.949 31.401 32.635 1.00 0.00 N HETATM 840 CD IMT A 106 39.188 31.493 33.423 1.00 0.00 C HETATM 841 C IMT A 106 36.321 31.016 34.524 1.00 0.00 C HETATM 842 O IMT A 106 37.150 31.183 35.414 1.00 0.00 O HETATM 0 HN2 IMT A 106 35.093 31.280 29.468 1.00 0.00 H new HETATM 0 HD3 IMT A 106 39.875 30.706 33.113 1.00 0.00 H new HETATM 0 HD2 IMT A 106 39.652 32.465 33.259 1.00 0.00 H new HETATM 0 HD1 IMT A 106 38.956 31.376 34.481 1.00 0.00 H new HETATM 0 HB IMT A 106 38.726 31.709 30.591 1.00 0.00 H new HETATM 848 N PYB A 107 35.004 30.652 34.819 1.00 0.00 N HETATM 849 CA PYB A 107 34.445 30.448 36.083 1.00 0.00 C HETATM 850 CB1 PYB A 107 33.143 29.933 36.347 1.00 0.00 C HETATM 851 CB PYB A 107 35.058 30.708 37.280 1.00 0.00 C HETATM 852 CG1 PYB A 107 32.988 29.866 37.717 1.00 0.00 C HETATM 853 NG2 PYB A 107 34.192 30.309 38.286 1.00 0.00 N HETATM 854 CD PYB A 107 34.600 30.302 39.701 1.00 0.00 C HETATM 855 C PYB A 107 31.826 29.497 38.586 1.00 0.00 C HETATM 856 O PYB A 107 31.887 29.627 39.802 1.00 0.00 O HETATM 0 HD3 PYB A 107 35.452 29.634 39.831 1.00 0.00 H new HETATM 0 HD2 PYB A 107 34.880 31.311 40.004 1.00 0.00 H new HETATM 0 HD1 PYB A 107 33.770 29.956 40.317 1.00 0.00 H new HETATM 0 HB1 PYB A 107 32.402 29.644 35.601 1.00 0.00 H new HETATM 0 HB PYB A 107 36.046 31.148 37.416 1.00 0.00 H new HETATM 0 H PYB A 107 34.467 30.426 33.982 1.00 0.00 H new HETATM 863 N PYB A 108 30.666 28.995 37.994 1.00 0.00 N HETATM 864 CA PYB A 108 29.451 28.807 38.674 1.00 0.00 C HETATM 865 CB1 PYB A 108 28.359 27.965 38.311 1.00 0.00 C HETATM 866 CB PYB A 108 29.122 29.439 39.845 1.00 0.00 C HETATM 867 CG1 PYB A 108 27.419 28.034 39.324 1.00 0.00 C HETATM 868 NG2 PYB A 108 27.878 28.988 40.243 1.00 0.00 N HETATM 869 CD PYB A 108 27.191 29.547 41.419 1.00 0.00 C HETATM 870 C PYB A 108 26.108 27.346 39.557 1.00 0.00 C HETATM 871 O PYB A 108 25.495 27.472 40.607 1.00 0.00 O HETATM 0 HD3 PYB A 108 27.804 29.391 42.307 1.00 0.00 H new HETATM 0 HD2 PYB A 108 27.029 30.615 41.272 1.00 0.00 H new HETATM 0 HD1 PYB A 108 26.230 29.049 41.550 1.00 0.00 H new HETATM 0 HB1 PYB A 108 28.279 27.373 37.399 1.00 0.00 H new HETATM 0 HB PYB A 108 29.735 30.171 40.371 1.00 0.00 H new HETATM 0 H PYB A 108 30.847 28.493 37.125 1.00 0.00 H new HETATM 878 N PYB A 109 25.595 26.546 38.545 1.00 0.00 N HETATM 879 CA PYB A 109 24.309 25.987 38.518 1.00 0.00 C HETATM 880 CB1 PYB A 109 23.810 25.161 37.486 1.00 0.00 C HETATM 881 CB PYB A 109 23.297 26.167 39.433 1.00 0.00 C HETATM 882 CG1 PYB A 109 22.500 24.853 37.772 1.00 0.00 C HETATM 883 NG2 PYB A 109 22.180 25.468 38.987 1.00 0.00 N HETATM 884 CD PYB A 109 20.920 25.432 39.751 1.00 0.00 C HETATM 885 C PYB A 109 21.521 24.101 36.943 1.00 0.00 C HETATM 886 O PYB A 109 20.316 24.045 37.133 1.00 0.00 O HETATM 0 HD3 PYB A 109 21.102 24.995 40.733 1.00 0.00 H new HETATM 0 HD2 PYB A 109 20.538 26.446 39.871 1.00 0.00 H new HETATM 0 HD1 PYB A 109 20.187 24.829 39.215 1.00 0.00 H new HETATM 0 HB1 PYB A 109 24.368 24.825 36.612 1.00 0.00 H new HETATM 0 HB PYB A 109 23.360 26.755 40.348 1.00 0.00 H new HETATM 0 H PYB A 109 26.246 26.365 37.781 1.00 0.00 H new HETATM 893 C01 9T8 A 110 13.113 23.119 31.339 1.00 0.00 C HETATM 894 N02 9T8 A 110 18.698 22.864 33.285 1.00 0.00 N HETATM 895 C03 9T8 A 110 14.984 22.034 32.581 1.00 0.00 C HETATM 896 C05 9T8 A 110 17.277 23.118 33.021 1.00 0.00 C HETATM 897 C06 9T8 A 110 19.619 23.864 33.503 1.00 0.00 C HETATM 898 C07 9T8 A 110 21.065 23.396 33.604 1.00 0.00 C HETATM 899 C04 9T8 A 110 16.495 21.805 32.802 1.00 0.00 C HETATM 900 N01 9T8 A 110 14.621 22.862 31.347 1.00 0.00 N HETATM 901 C02 9T8 A 110 15.005 22.124 30.061 1.00 0.00 C HETATM 902 N03 9T8 A 110 22.102 23.465 35.875 1.00 0.00 N HETATM 903 C08 9T8 A 110 21.372 22.636 34.911 1.00 0.00 C HETATM 904 O01 9T8 A 110 19.292 25.038 33.567 1.00 0.00 O