USER MOD reduce.3.24.130724 H: found=0, std=0, add=321, rem=0, adj=6 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= -0.686 (180deg=-0.686) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 13 DCZ O5' : rot -29:sc= 0.0192 USER MOD Single : B 16 DT C7 :methyl -30:sc= -0.0829 (180deg=-0.423) USER MOD Single : B 18 DT C7 :methyl -30:sc= -1.5 (180deg=-2.62!) USER MOD Single : B 22 DT C7 :methyl 150:sc= -0.245 (180deg=-0.245) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 DCZ A 1 30.512 12.784 28.552 1.00 0.00 N HETATM 2 C2 DCZ A 1 30.877 11.954 29.628 1.00 0.00 C HETATM 3 N3 DCZ A 1 31.224 12.479 30.831 1.00 0.00 N HETATM 4 C4 DCZ A 1 31.199 13.786 30.972 1.00 0.00 C HETATM 5 C5 DCZ A 1 30.833 14.684 29.935 1.00 0.00 C HETATM 6 C6 DCZ A 1 30.499 14.151 28.732 1.00 0.00 C HETATM 7 O2 DCZ A 1 30.897 10.723 29.528 1.00 0.00 O HETATM 8 N4 DCZ A 1 31.570 14.232 32.141 1.00 0.00 N HETATM 9 C1' DCZ A 1 30.226 12.132 27.235 1.00 0.00 C HETATM 10 C2' DCZ A 1 29.327 12.885 26.252 1.00 0.00 C HETATM 11 C3' DCZ A 1 29.571 12.078 24.978 1.00 0.00 C HETATM 12 C4' DCZ A 1 31.045 11.663 25.144 1.00 0.00 C HETATM 13 O4' DCZ A 1 31.418 11.968 26.487 1.00 0.00 O HETATM 14 O3' DCZ A 1 28.734 10.927 24.944 1.00 0.00 O HETATM 15 C5' DCZ A 1 32.005 12.344 24.150 1.00 0.00 C HETATM 16 O5' DCZ A 1 32.001 13.768 24.246 1.00 0.00 O HETATM 0 HO51 DCZ A 1 32.629 14.142 23.593 1.00 0.00 H new HETATM 0 HN42 DCZ A 1 31.577 15.235 32.325 1.00 0.00 H new HETATM 0 HN41 DCZ A 1 31.853 13.577 32.870 1.00 0.00 H new HETATM 0 H5'2 DCZ A 1 33.017 11.978 24.324 1.00 0.00 H new HETATM 0 H5'1 DCZ A 1 31.732 12.054 23.135 1.00 0.00 H new HETATM 0 H2'2 DCZ A 1 28.280 12.874 26.556 1.00 0.00 H new HETATM 0 H2'1 DCZ A 1 29.616 13.930 26.143 1.00 0.00 H new HETATM 0 H6 DCZ A 1 30.220 14.805 27.906 1.00 0.00 H new HETATM 0 H5 DCZ A 1 30.821 15.762 30.099 1.00 0.00 H new HETATM 0 H4' DCZ A 1 31.128 10.598 24.927 1.00 0.00 H new HETATM 0 H3' DCZ A 1 29.362 12.628 24.060 1.00 0.00 H new HETATM 0 H1' DCZ A 1 29.726 11.220 27.562 1.00 0.00 H new ATOM 29 P DG A 2 27.387 10.882 24.060 1.00 0.00 P ATOM 30 OP1 DG A 2 26.859 9.496 24.132 1.00 0.00 O ATOM 31 OP2 DG A 2 27.662 11.477 22.728 1.00 0.00 O ATOM 32 O5' DG A 2 26.387 11.858 24.861 1.00 0.00 O ATOM 33 C5' DG A 2 24.974 11.746 24.729 1.00 0.00 C ATOM 34 C4' DG A 2 24.231 12.876 25.456 1.00 0.00 C ATOM 35 O4' DG A 2 24.466 12.829 26.863 1.00 0.00 O ATOM 36 C3' DG A 2 24.672 14.270 24.966 1.00 0.00 C ATOM 37 O3' DG A 2 23.573 15.142 24.752 1.00 0.00 O ATOM 38 C2' DG A 2 25.495 14.763 26.150 1.00 0.00 C ATOM 39 C1' DG A 2 24.696 14.157 27.303 1.00 0.00 C ATOM 40 N9 DG A 2 25.383 14.177 28.620 1.00 0.00 N ATOM 41 C8 DG A 2 26.710 14.391 28.919 1.00 0.00 C ATOM 42 N7 DG A 2 26.995 14.332 30.194 1.00 0.00 N ATOM 43 C5 DG A 2 25.751 14.088 30.796 1.00 0.00 C ATOM 44 C6 DG A 2 25.367 13.955 32.180 1.00 0.00 C ATOM 45 O6 DG A 2 26.066 13.989 33.194 1.00 0.00 O ATOM 46 N1 DG A 2 24.012 13.774 32.361 1.00 0.00 N ATOM 47 C2 DG A 2 23.119 13.701 31.347 1.00 0.00 C ATOM 48 N2 DG A 2 21.859 13.583 31.668 1.00 0.00 N ATOM 49 N3 DG A 2 23.424 13.801 30.055 1.00 0.00 N ATOM 50 C4 DG A 2 24.762 13.999 29.839 1.00 0.00 C ATOM 0 H5' DG A 2 24.649 10.785 25.127 1.00 0.00 H new ATOM 0 H5'' DG A 2 24.708 11.760 23.672 1.00 0.00 H new ATOM 0 H4' DG A 2 23.174 12.723 25.236 1.00 0.00 H new ATOM 0 H3' DG A 2 25.198 14.236 24.012 1.00 0.00 H new ATOM 0 H2' DG A 2 26.523 14.402 26.121 1.00 0.00 H new ATOM 0 H2'' DG A 2 25.540 15.851 26.201 1.00 0.00 H new ATOM 0 H1' DG A 2 23.793 14.735 27.499 1.00 0.00 H new ATOM 0 H8 DG A 2 27.454 14.591 28.163 1.00 0.00 H new ATOM 0 H1 DG A 2 23.662 13.690 33.315 1.00 0.00 H new ATOM 0 H21 DG A 2 21.150 13.524 30.937 1.00 0.00 H new ATOM 0 H22 DG A 2 21.584 13.549 32.650 1.00 0.00 H new ATOM 62 P DA A 3 22.757 15.117 23.365 1.00 0.00 P ATOM 63 OP1 DA A 3 22.343 13.722 23.069 1.00 0.00 O ATOM 64 OP2 DA A 3 23.552 15.856 22.354 1.00 0.00 O ATOM 65 O5' DA A 3 21.434 15.980 23.672 1.00 0.00 O ATOM 66 C5' DA A 3 20.473 15.588 24.651 1.00 0.00 C ATOM 67 C4' DA A 3 20.488 16.471 25.910 1.00 0.00 C ATOM 68 O4' DA A 3 21.569 16.220 26.797 1.00 0.00 O ATOM 69 C3' DA A 3 20.524 17.986 25.608 1.00 0.00 C ATOM 70 O3' DA A 3 19.253 18.653 25.547 1.00 0.00 O ATOM 71 C2' DA A 3 21.535 18.521 26.634 1.00 0.00 C ATOM 72 C1' DA A 3 21.638 17.362 27.630 1.00 0.00 C ATOM 73 N9 DA A 3 22.871 17.356 28.446 1.00 0.00 N ATOM 74 C8 DA A 3 24.174 17.526 28.043 1.00 0.00 C ATOM 75 N7 DA A 3 25.049 17.498 29.017 1.00 0.00 N ATOM 76 C5 DA A 3 24.246 17.314 30.153 1.00 0.00 C ATOM 77 C6 DA A 3 24.485 17.239 31.547 1.00 0.00 C ATOM 78 N6 DA A 3 25.668 17.347 32.120 1.00 0.00 N ATOM 79 N1 DA A 3 23.487 17.077 32.413 1.00 0.00 N ATOM 80 C2 DA A 3 22.255 16.972 31.935 1.00 0.00 C ATOM 81 N3 DA A 3 21.873 17.012 30.664 1.00 0.00 N ATOM 82 C4 DA A 3 22.923 17.203 29.814 1.00 0.00 C ATOM 0 H5' DA A 3 20.660 14.554 24.939 1.00 0.00 H new ATOM 0 H5'' DA A 3 19.478 15.620 24.206 1.00 0.00 H new ATOM 0 H4' DA A 3 19.547 16.192 26.384 1.00 0.00 H new ATOM 0 H3' DA A 3 20.836 18.195 24.585 1.00 0.00 H new ATOM 0 H2' DA A 3 22.497 18.749 26.175 1.00 0.00 H new ATOM 0 H2'' DA A 3 21.184 19.436 27.111 1.00 0.00 H new ATOM 0 H1' DA A 3 20.852 17.421 28.382 1.00 0.00 H new ATOM 0 H8 DA A 3 24.453 17.671 27.010 1.00 0.00 H new ATOM 0 H61 DA A 3 25.751 17.281 33.134 1.00 0.00 H new ATOM 0 H62 DA A 3 26.500 17.497 31.549 1.00 0.00 H new ATOM 0 H2 DA A 3 21.470 16.838 32.665 1.00 0.00 H new ATOM 94 P DT A 4 18.115 18.645 26.705 1.00 0.00 P ATOM 95 OP1 DT A 4 17.531 17.285 26.805 1.00 0.00 O ATOM 96 OP2 DT A 4 17.204 19.783 26.431 1.00 0.00 O ATOM 97 O5' DT A 4 18.953 18.946 28.038 1.00 0.00 O ATOM 98 C5' DT A 4 18.354 19.249 29.283 1.00 0.00 C ATOM 99 C4' DT A 4 19.243 20.224 30.071 1.00 0.00 C ATOM 100 O4' DT A 4 20.550 19.731 30.341 1.00 0.00 O ATOM 101 C3' DT A 4 19.557 21.496 29.288 1.00 0.00 C ATOM 102 O3' DT A 4 18.441 22.365 29.167 1.00 0.00 O ATOM 103 C2' DT A 4 20.689 22.073 30.138 1.00 0.00 C ATOM 104 C1' DT A 4 21.308 20.838 30.806 1.00 0.00 C ATOM 105 N1 DT A 4 22.779 20.696 30.583 1.00 0.00 N ATOM 106 C2 DT A 4 23.594 20.598 31.718 1.00 0.00 C ATOM 107 O2 DT A 4 23.169 20.546 32.870 1.00 0.00 O ATOM 108 N3 DT A 4 24.950 20.573 31.518 1.00 0.00 N ATOM 109 C4 DT A 4 25.588 20.606 30.301 1.00 0.00 C ATOM 110 O4 DT A 4 26.815 20.517 30.284 1.00 0.00 O ATOM 111 C5 DT A 4 24.692 20.734 29.148 1.00 0.00 C ATOM 112 C7 DT A 4 25.273 20.832 27.747 1.00 0.00 C ATOM 113 C6 DT A 4 23.340 20.767 29.320 1.00 0.00 C ATOM 0 H5' DT A 4 18.206 18.334 29.857 1.00 0.00 H new ATOM 0 H5'' DT A 4 17.369 19.689 29.125 1.00 0.00 H new ATOM 0 H4' DT A 4 18.653 20.383 30.974 1.00 0.00 H new ATOM 0 H3' DT A 4 19.824 21.330 28.244 1.00 0.00 H new ATOM 0 H2' DT A 4 21.418 22.605 29.526 1.00 0.00 H new ATOM 0 H2'' DT A 4 20.314 22.782 30.876 1.00 0.00 H new ATOM 0 H1' DT A 4 21.252 20.921 31.891 1.00 0.00 H new ATOM 0 H3 DT A 4 25.540 20.526 32.349 1.00 0.00 H new ATOM 0 H71 DT A 4 24.573 20.401 27.032 1.00 0.00 H new ATOM 0 H72 DT A 4 25.447 21.879 27.498 1.00 0.00 H new ATOM 0 H73 DT A 4 26.216 20.287 27.705 1.00 0.00 H new ATOM 0 H6 DT A 4 22.696 20.850 28.457 1.00 0.00 H new ATOM 126 P DG A 5 18.441 23.555 28.079 1.00 0.00 P ATOM 127 OP1 DG A 5 17.096 24.182 28.063 1.00 0.00 O ATOM 128 OP2 DG A 5 19.029 23.074 26.804 1.00 0.00 O ATOM 129 O5' DG A 5 19.481 24.579 28.741 1.00 0.00 O ATOM 130 C5' DG A 5 19.180 25.243 29.958 1.00 0.00 C ATOM 131 C4' DG A 5 20.381 26.026 30.499 1.00 0.00 C ATOM 132 O4' DG A 5 21.468 25.192 30.882 1.00 0.00 O ATOM 133 C3' DG A 5 20.988 26.973 29.458 1.00 0.00 C ATOM 134 O3' DG A 5 20.307 28.199 29.161 1.00 0.00 O ATOM 135 C2' DG A 5 22.413 27.157 29.976 1.00 0.00 C ATOM 136 C1' DG A 5 22.615 26.022 30.991 1.00 0.00 C ATOM 137 N9 DG A 5 23.864 25.239 30.787 1.00 0.00 N ATOM 138 C8 DG A 5 24.280 24.533 29.682 1.00 0.00 C ATOM 139 N7 DG A 5 25.440 23.941 29.822 1.00 0.00 N ATOM 140 C5 DG A 5 25.836 24.284 31.125 1.00 0.00 C ATOM 141 C6 DG A 5 27.011 23.961 31.908 1.00 0.00 C ATOM 142 O6 DG A 5 27.994 23.278 31.614 1.00 0.00 O ATOM 143 N1 DG A 5 27.005 24.514 33.174 1.00 0.00 N ATOM 144 C2 DG A 5 26.004 25.290 33.647 1.00 0.00 C ATOM 145 N2 DG A 5 26.115 25.749 34.860 1.00 0.00 N ATOM 146 N3 DG A 5 24.914 25.617 32.965 1.00 0.00 N ATOM 147 C4 DG A 5 24.877 25.084 31.711 1.00 0.00 C ATOM 0 H5' DG A 5 18.860 24.512 30.700 1.00 0.00 H new ATOM 0 H5'' DG A 5 18.344 25.925 29.802 1.00 0.00 H new ATOM 0 H4' DG A 5 19.961 26.561 31.351 1.00 0.00 H new ATOM 0 H3' DG A 5 20.912 26.534 28.463 1.00 0.00 H new ATOM 0 H2' DG A 5 23.139 27.096 29.165 1.00 0.00 H new ATOM 0 H2'' DG A 5 22.540 28.133 30.444 1.00 0.00 H new ATOM 0 H1' DG A 5 22.729 26.446 31.989 1.00 0.00 H new ATOM 0 H8 DG A 5 23.698 24.472 28.774 1.00 0.00 H new ATOM 0 H1 DG A 5 27.800 24.327 33.786 1.00 0.00 H new ATOM 0 H21 DG A 5 25.380 26.338 35.252 1.00 0.00 H new ATOM 0 H22 DG A 5 26.937 25.520 35.419 1.00 0.00 H new ATOM 159 P DT A 6 19.499 29.117 30.231 1.00 0.00 P ATOM 160 OP1 DT A 6 18.339 28.345 30.745 1.00 0.00 O ATOM 161 OP2 DT A 6 19.243 30.421 29.574 1.00 0.00 O ATOM 162 O5' DT A 6 20.534 29.385 31.435 1.00 0.00 O ATOM 163 C5' DT A 6 20.271 29.003 32.781 1.00 0.00 C ATOM 164 C4' DT A 6 21.417 29.435 33.696 1.00 0.00 C ATOM 165 O4' DT A 6 22.641 28.862 33.274 1.00 0.00 O ATOM 166 C3' DT A 6 21.609 30.955 33.732 1.00 0.00 C ATOM 167 O3' DT A 6 21.249 31.425 35.024 1.00 0.00 O ATOM 168 C2' DT A 6 23.091 31.131 33.385 1.00 0.00 C ATOM 169 C1' DT A 6 23.686 29.746 33.632 1.00 0.00 C ATOM 170 N1 DT A 6 24.876 29.382 32.818 1.00 0.00 N ATOM 171 C2 DT A 6 26.015 28.893 33.475 1.00 0.00 C ATOM 172 O2 DT A 6 26.250 29.062 34.671 1.00 0.00 O ATOM 173 N3 DT A 6 26.923 28.203 32.706 1.00 0.00 N ATOM 174 C4 DT A 6 26.788 27.938 31.363 1.00 0.00 C ATOM 175 O4 DT A 6 27.567 27.152 30.832 1.00 0.00 O ATOM 176 C5 DT A 6 25.689 28.640 30.706 1.00 0.00 C ATOM 177 C7 DT A 6 25.529 28.567 29.196 1.00 0.00 C ATOM 178 C6 DT A 6 24.784 29.336 31.442 1.00 0.00 C ATOM 0 H5' DT A 6 20.139 27.923 32.839 1.00 0.00 H new ATOM 0 H5'' DT A 6 19.339 29.456 33.118 1.00 0.00 H new ATOM 0 H4' DT A 6 21.143 29.088 34.692 1.00 0.00 H new ATOM 0 H3' DT A 6 20.991 31.528 33.040 1.00 0.00 H new ATOM 0 H2' DT A 6 23.226 31.446 32.350 1.00 0.00 H new ATOM 0 H2'' DT A 6 23.562 31.887 34.013 1.00 0.00 H new ATOM 0 H1' DT A 6 24.037 29.706 34.663 1.00 0.00 H new ATOM 0 H3 DT A 6 27.765 27.860 33.169 1.00 0.00 H new ATOM 0 H71 DT A 6 24.474 28.653 28.937 1.00 0.00 H new ATOM 0 H72 DT A 6 26.084 29.382 28.731 1.00 0.00 H new ATOM 0 H73 DT A 6 25.914 27.613 28.835 1.00 0.00 H new ATOM 0 H6 DT A 6 23.982 29.860 30.944 1.00 0.00 H new ATOM 191 P DA A 7 20.965 32.984 35.330 1.00 0.00 P ATOM 192 OP1 DA A 7 20.092 33.064 36.528 1.00 0.00 O ATOM 193 OP2 DA A 7 20.532 33.660 34.081 1.00 0.00 O ATOM 194 O5' DA A 7 22.423 33.532 35.722 1.00 0.00 O ATOM 195 C5' DA A 7 23.033 33.131 36.941 1.00 0.00 C ATOM 196 C4' DA A 7 24.536 33.414 36.963 1.00 0.00 C ATOM 197 O4' DA A 7 25.198 32.667 35.954 1.00 0.00 O ATOM 198 C3' DA A 7 24.912 34.890 36.787 1.00 0.00 C ATOM 199 O3' DA A 7 25.571 35.322 37.972 1.00 0.00 O ATOM 200 C2' DA A 7 25.796 34.853 35.535 1.00 0.00 C ATOM 201 C1' DA A 7 26.305 33.413 35.501 1.00 0.00 C ATOM 202 N9 DA A 7 26.641 32.912 34.149 1.00 0.00 N ATOM 203 C8 DA A 7 25.849 32.949 33.025 1.00 0.00 C ATOM 204 N7 DA A 7 26.312 32.269 32.010 1.00 0.00 N ATOM 205 C5 DA A 7 27.534 31.781 32.501 1.00 0.00 C ATOM 206 C6 DA A 7 28.565 30.978 31.964 1.00 0.00 C ATOM 207 N6 DA A 7 28.541 30.463 30.751 1.00 0.00 N ATOM 208 N1 DA A 7 29.646 30.657 32.675 1.00 0.00 N ATOM 209 C2 DA A 7 29.725 31.126 33.912 1.00 0.00 C ATOM 210 N3 DA A 7 28.841 31.877 34.565 1.00 0.00 N ATOM 211 C4 DA A 7 27.751 32.174 33.795 1.00 0.00 C ATOM 0 H5' DA A 7 22.865 32.065 37.095 1.00 0.00 H new ATOM 0 H5'' DA A 7 22.556 33.652 37.771 1.00 0.00 H new ATOM 0 H4' DA A 7 24.858 33.116 37.961 1.00 0.00 H new ATOM 0 H3' DA A 7 24.092 35.595 36.652 1.00 0.00 H new ATOM 0 H2' DA A 7 25.230 35.100 34.637 1.00 0.00 H new ATOM 0 H2'' DA A 7 26.617 35.567 35.602 1.00 0.00 H new ATOM 0 H1' DA A 7 27.221 33.336 36.086 1.00 0.00 H new ATOM 0 H8 DA A 7 24.919 33.496 32.985 1.00 0.00 H new ATOM 0 H61 DA A 7 29.320 29.891 30.424 1.00 0.00 H new ATOM 0 H62 DA A 7 27.744 30.637 30.139 1.00 0.00 H new ATOM 0 H2 DA A 7 30.619 30.866 34.459 1.00 0.00 H new ATOM 223 P DC A 8 26.024 36.848 38.220 1.00 0.00 P ATOM 224 OP1 DC A 8 26.137 37.061 39.686 1.00 0.00 O ATOM 225 OP2 DC A 8 25.155 37.754 37.428 1.00 0.00 O ATOM 226 O5' DC A 8 27.500 36.869 37.586 1.00 0.00 O ATOM 227 C5' DC A 8 28.524 36.046 38.129 1.00 0.00 C ATOM 228 C4' DC A 8 29.761 35.961 37.230 1.00 0.00 C ATOM 229 O4' DC A 8 29.462 35.291 36.010 1.00 0.00 O ATOM 230 C3' DC A 8 30.358 37.333 36.879 1.00 0.00 C ATOM 231 O3' DC A 8 31.702 37.396 37.346 1.00 0.00 O ATOM 232 C2' DC A 8 30.222 37.357 35.352 1.00 0.00 C ATOM 233 C1' DC A 8 30.259 35.869 34.995 1.00 0.00 C ATOM 234 N1 DC A 8 29.683 35.504 33.668 1.00 0.00 N ATOM 235 C2 DC A 8 30.401 34.659 32.802 1.00 0.00 C ATOM 236 O2 DC A 8 31.549 34.282 33.045 1.00 0.00 O ATOM 237 N3 DC A 8 29.847 34.221 31.642 1.00 0.00 N ATOM 238 C4 DC A 8 28.621 34.608 31.351 1.00 0.00 C ATOM 239 N4 DC A 8 28.117 34.155 30.242 1.00 0.00 N ATOM 240 C5 DC A 8 27.847 35.462 32.175 1.00 0.00 C ATOM 241 C6 DC A 8 28.411 35.898 33.327 1.00 0.00 C ATOM 0 H5' DC A 8 28.129 35.043 38.291 1.00 0.00 H new ATOM 0 H5'' DC A 8 28.816 36.435 39.105 1.00 0.00 H new ATOM 0 H4' DC A 8 30.495 35.404 37.812 1.00 0.00 H new ATOM 0 H3' DC A 8 29.874 38.197 37.335 1.00 0.00 H new ATOM 0 H2' DC A 8 29.292 37.828 35.034 1.00 0.00 H new ATOM 0 H2'' DC A 8 31.035 37.908 34.880 1.00 0.00 H new ATOM 0 H1' DC A 8 31.293 35.531 34.930 1.00 0.00 H new ATOM 0 H41 DC A 8 27.172 34.421 29.965 1.00 0.00 H new ATOM 0 H42 DC A 8 28.667 33.534 29.648 1.00 0.00 H new ATOM 0 H5 DC A 8 26.846 35.754 31.895 1.00 0.00 H new ATOM 0 H6 DC A 8 27.859 36.558 33.980 1.00 0.00 H new ATOM 253 P DA A 9 32.513 38.789 37.453 1.00 0.00 P ATOM 254 OP1 DA A 9 33.620 38.606 38.427 1.00 0.00 O ATOM 255 OP2 DA A 9 31.553 39.901 37.666 1.00 0.00 O ATOM 256 O5' DA A 9 33.141 38.940 35.982 1.00 0.00 O ATOM 257 C5' DA A 9 34.179 38.073 35.546 1.00 0.00 C ATOM 258 C4' DA A 9 34.264 37.979 34.021 1.00 0.00 C ATOM 259 O4' DA A 9 33.091 37.410 33.461 1.00 0.00 O ATOM 260 C3' DA A 9 34.476 39.314 33.299 1.00 0.00 C ATOM 261 O3' DA A 9 35.870 39.575 33.177 1.00 0.00 O ATOM 262 C2' DA A 9 33.755 39.074 31.964 1.00 0.00 C ATOM 263 C1' DA A 9 33.175 37.667 32.079 1.00 0.00 C ATOM 264 N9 DA A 9 31.864 37.532 31.412 1.00 0.00 N ATOM 265 C8 DA A 9 30.676 38.156 31.710 1.00 0.00 C ATOM 266 N7 DA A 9 29.710 37.898 30.865 1.00 0.00 N ATOM 267 C5 DA A 9 30.322 37.037 29.937 1.00 0.00 C ATOM 268 C6 DA A 9 29.908 36.367 28.758 1.00 0.00 C ATOM 269 N6 DA A 9 28.712 36.444 28.206 1.00 0.00 N ATOM 270 N1 DA A 9 30.745 35.576 28.086 1.00 0.00 N ATOM 271 C2 DA A 9 31.979 35.436 28.546 1.00 0.00 C ATOM 272 N3 DA A 9 32.521 35.998 29.618 1.00 0.00 N ATOM 273 C4 DA A 9 31.627 36.793 30.278 1.00 0.00 C ATOM 0 H5' DA A 9 34.014 37.078 35.959 1.00 0.00 H new ATOM 0 H5'' DA A 9 35.132 38.427 35.938 1.00 0.00 H new ATOM 0 H4' DA A 9 35.142 37.352 33.867 1.00 0.00 H new ATOM 0 H3' DA A 9 34.087 40.197 33.805 1.00 0.00 H new ATOM 0 H2' DA A 9 32.970 39.813 31.800 1.00 0.00 H new ATOM 0 H2'' DA A 9 34.445 39.150 31.123 1.00 0.00 H new ATOM 0 H1' DA A 9 33.810 36.942 31.570 1.00 0.00 H new ATOM 0 H8 DA A 9 30.551 38.802 32.566 1.00 0.00 H new ATOM 0 H61 DA A 9 28.509 35.922 27.354 1.00 0.00 H new ATOM 0 H62 DA A 9 27.990 37.026 28.632 1.00 0.00 H new ATOM 0 H2 DA A 9 32.624 34.783 27.977 1.00 0.00 H new ATOM 285 P DT A 10 36.447 40.912 32.483 1.00 0.00 P ATOM 286 OP1 DT A 10 37.862 41.072 32.904 1.00 0.00 O ATOM 287 OP2 DT A 10 35.497 42.028 32.721 1.00 0.00 O ATOM 288 O5' DT A 10 36.411 40.533 30.919 1.00 0.00 O ATOM 289 C5' DT A 10 37.280 39.539 30.381 1.00 0.00 C ATOM 290 C4' DT A 10 36.945 39.168 28.926 1.00 0.00 C ATOM 291 O4' DT A 10 35.730 38.438 28.796 1.00 0.00 O ATOM 292 C3' DT A 10 36.734 40.384 28.025 1.00 0.00 C ATOM 293 O3' DT A 10 37.944 41.020 27.640 1.00 0.00 O ATOM 294 C2' DT A 10 36.046 39.726 26.833 1.00 0.00 C ATOM 295 C1' DT A 10 35.325 38.517 27.433 1.00 0.00 C ATOM 296 N1 DT A 10 33.850 38.630 27.291 1.00 0.00 N ATOM 297 C2 DT A 10 33.244 37.992 26.199 1.00 0.00 C ATOM 298 O2 DT A 10 33.860 37.329 25.365 1.00 0.00 O ATOM 299 N3 DT A 10 31.886 38.154 26.063 1.00 0.00 N ATOM 300 C4 DT A 10 31.084 38.910 26.886 1.00 0.00 C ATOM 301 O4 DT A 10 29.877 38.938 26.657 1.00 0.00 O ATOM 302 C5 DT A 10 31.785 39.603 27.968 1.00 0.00 C ATOM 303 C7 DT A 10 31.026 40.506 28.924 1.00 0.00 C ATOM 304 C6 DT A 10 33.124 39.441 28.137 1.00 0.00 C ATOM 0 H5' DT A 10 37.225 38.643 31.000 1.00 0.00 H new ATOM 0 H5'' DT A 10 38.308 39.898 30.431 1.00 0.00 H new ATOM 0 H4' DT A 10 37.813 38.580 28.629 1.00 0.00 H new ATOM 0 H3' DT A 10 36.177 41.189 28.503 1.00 0.00 H new ATOM 0 H2' DT A 10 35.345 40.408 26.352 1.00 0.00 H new ATOM 0 H2'' DT A 10 36.768 39.423 26.075 1.00 0.00 H new ATOM 0 H1' DT A 10 35.592 37.603 26.903 1.00 0.00 H new ATOM 0 H3 DT A 10 31.434 37.673 25.285 1.00 0.00 H new ATOM 0 H71 DT A 10 31.516 40.499 29.897 1.00 0.00 H new ATOM 0 H72 DT A 10 31.013 41.523 28.531 1.00 0.00 H new ATOM 0 H73 DT A 10 30.003 40.145 29.031 1.00 0.00 H new ATOM 0 H6 DT A 10 33.625 39.954 28.944 1.00 0.00 H new ATOM 317 P DC A 11 37.958 42.570 27.205 1.00 0.00 P ATOM 318 OP1 DC A 11 39.348 42.927 26.824 1.00 0.00 O ATOM 319 OP2 DC A 11 37.276 43.370 28.252 1.00 0.00 O ATOM 320 O5' DC A 11 37.033 42.583 25.883 1.00 0.00 O ATOM 321 C5' DC A 11 37.499 42.063 24.643 1.00 0.00 C ATOM 322 C4' DC A 11 36.414 42.048 23.556 1.00 0.00 C ATOM 323 O4' DC A 11 35.341 41.153 23.844 1.00 0.00 O ATOM 324 C3' DC A 11 35.702 43.394 23.395 1.00 0.00 C ATOM 325 O3' DC A 11 36.461 44.507 22.906 1.00 0.00 O ATOM 326 C2' DC A 11 34.486 42.962 22.582 1.00 0.00 C ATOM 327 C1' DC A 11 34.243 41.507 23.006 1.00 0.00 C ATOM 328 N1 DC A 11 32.929 41.388 23.700 1.00 0.00 N ATOM 329 C2 DC A 11 31.821 40.899 22.988 1.00 0.00 C ATOM 330 O2 DC A 11 31.927 40.399 21.866 1.00 0.00 O ATOM 331 N3 DC A 11 30.571 40.967 23.506 1.00 0.00 N ATOM 332 C4 DC A 11 30.419 41.524 24.691 1.00 0.00 C ATOM 333 N4 DC A 11 29.201 41.566 25.145 1.00 0.00 N ATOM 334 C5 DC A 11 31.499 42.032 25.467 1.00 0.00 C ATOM 335 C6 DC A 11 32.746 41.941 24.942 1.00 0.00 C ATOM 0 H5' DC A 11 37.867 41.049 24.796 1.00 0.00 H new ATOM 0 H5'' DC A 11 38.343 42.660 24.298 1.00 0.00 H new ATOM 0 H4' DC A 11 36.977 41.760 22.669 1.00 0.00 H new ATOM 0 H3' DC A 11 35.458 43.870 24.345 1.00 0.00 H new ATOM 0 H2' DC A 11 33.621 43.589 22.797 1.00 0.00 H new ATOM 0 H2'' DC A 11 34.676 43.038 21.511 1.00 0.00 H new ATOM 0 H1' DC A 11 34.192 40.828 22.155 1.00 0.00 H new ATOM 0 H41 DC A 11 29.010 41.983 26.056 1.00 0.00 H new ATOM 0 H42 DC A 11 28.436 41.182 24.590 1.00 0.00 H new ATOM 0 H5 DC A 11 31.331 42.474 26.438 1.00 0.00 H new ATOM 0 H6 DC A 11 33.595 42.304 25.502 1.00 0.00 H new ATOM 347 P DG A 12 37.237 44.599 21.484 1.00 0.00 P ATOM 348 OP1 DG A 12 38.101 43.403 21.333 1.00 0.00 O ATOM 349 OP2 DG A 12 37.870 45.938 21.427 1.00 0.00 O ATOM 350 O5' DG A 12 36.086 44.575 20.353 1.00 0.00 O ATOM 351 C5' DG A 12 36.093 43.644 19.274 1.00 0.00 C ATOM 352 C4' DG A 12 34.812 43.723 18.424 1.00 0.00 C ATOM 353 O4' DG A 12 33.685 43.261 19.172 1.00 0.00 O ATOM 354 C3' DG A 12 34.487 45.152 17.946 1.00 0.00 C ATOM 355 O3' DG A 12 34.005 45.158 16.602 1.00 0.00 O ATOM 356 C2' DG A 12 33.373 45.551 18.909 1.00 0.00 C ATOM 357 C1' DG A 12 32.643 44.215 19.041 1.00 0.00 C ATOM 358 N9 DG A 12 31.678 44.145 20.167 1.00 0.00 N ATOM 359 C8 DG A 12 31.731 44.725 21.413 1.00 0.00 C ATOM 360 N7 DG A 12 30.690 44.481 22.168 1.00 0.00 N ATOM 361 C5 DG A 12 29.858 43.707 21.344 1.00 0.00 C ATOM 362 C6 DG A 12 28.535 43.163 21.544 1.00 0.00 C ATOM 363 O6 DG A 12 27.800 43.220 22.533 1.00 0.00 O ATOM 364 N1 DG A 12 28.036 42.510 20.435 1.00 0.00 N ATOM 365 C2 DG A 12 28.716 42.370 19.272 1.00 0.00 C ATOM 366 N2 DG A 12 28.103 41.787 18.278 1.00 0.00 N ATOM 367 N3 DG A 12 29.937 42.842 19.041 1.00 0.00 N ATOM 368 C4 DG A 12 30.458 43.507 20.117 1.00 0.00 C ATOM 0 H5' DG A 12 36.202 42.634 19.669 1.00 0.00 H new ATOM 0 H5'' DG A 12 36.959 43.833 18.640 1.00 0.00 H new ATOM 0 H4' DG A 12 35.002 43.095 17.554 1.00 0.00 H new ATOM 0 H3' DG A 12 35.350 45.818 17.946 1.00 0.00 H new ATOM 0 H2' DG A 12 33.757 45.912 19.863 1.00 0.00 H new ATOM 0 H2'' DG A 12 32.734 46.336 18.505 1.00 0.00 H new ATOM 0 HO3' DG A 12 33.807 46.078 16.330 1.00 0.00 H new ATOM 0 H1' DG A 12 32.006 44.040 18.174 1.00 0.00 H new ATOM 0 H8 DG A 12 32.562 45.331 21.741 1.00 0.00 H new ATOM 0 H1 DG A 12 27.100 42.109 20.495 1.00 0.00 H new ATOM 0 H21 DG A 12 28.582 41.663 17.386 1.00 0.00 H new ATOM 0 H22 DG A 12 27.145 41.455 18.393 1.00 0.00 H new TER 381 DG A 12 HETATM 382 N1 DCZ B 13 23.358 40.725 19.703 1.00 0.00 N HETATM 383 C2 DCZ B 13 24.661 41.237 19.693 1.00 0.00 C HETATM 384 N3 DCZ B 13 25.240 41.679 20.836 1.00 0.00 N HETATM 385 C4 DCZ B 13 24.549 41.604 21.956 1.00 0.00 C HETATM 386 C5 DCZ B 13 23.238 41.068 22.039 1.00 0.00 C HETATM 387 C6 DCZ B 13 22.670 40.636 20.888 1.00 0.00 C HETATM 388 O2 DCZ B 13 25.332 41.310 18.663 1.00 0.00 O HETATM 389 N4 DCZ B 13 25.135 42.080 23.013 1.00 0.00 N HETATM 390 C1' DCZ B 13 22.734 40.275 18.429 1.00 0.00 C HETATM 391 C2' DCZ B 13 22.473 38.769 18.425 1.00 0.00 C HETATM 392 C3' DCZ B 13 21.285 38.659 17.478 1.00 0.00 C HETATM 393 C4' DCZ B 13 20.511 39.944 17.808 1.00 0.00 C HETATM 394 O4' DCZ B 13 21.471 40.904 18.249 1.00 0.00 O HETATM 395 O3' DCZ B 13 21.737 38.648 16.127 1.00 0.00 O HETATM 396 C5' DCZ B 13 19.440 39.734 18.897 1.00 0.00 C HETATM 397 O5' DCZ B 13 18.854 40.968 19.308 1.00 0.00 O HETATM 0 HO51 DCZ B 13 19.507 41.691 19.203 1.00 0.00 H new HETATM 0 HN42 DCZ B 13 24.659 42.055 23.915 1.00 0.00 H new HETATM 0 HN41 DCZ B 13 26.071 42.479 22.941 1.00 0.00 H new HETATM 0 H5'2 DCZ B 13 18.662 39.070 18.519 1.00 0.00 H new HETATM 0 H5'1 DCZ B 13 19.889 39.240 19.759 1.00 0.00 H new HETATM 0 H2'2 DCZ B 13 23.335 38.206 18.066 1.00 0.00 H new HETATM 0 H2'1 DCZ B 13 22.238 38.392 19.421 1.00 0.00 H new HETATM 0 H6 DCZ B 13 21.664 40.217 20.902 1.00 0.00 H new HETATM 0 H5 DCZ B 13 22.710 41.006 22.990 1.00 0.00 H new HETATM 0 H4' DCZ B 13 19.976 40.278 16.919 1.00 0.00 H new HETATM 0 H3' DCZ B 13 20.689 37.753 17.590 1.00 0.00 H new HETATM 0 H1' DCZ B 13 23.433 40.538 17.635 1.00 0.00 H new ATOM 410 P DG B 14 21.837 37.261 15.317 1.00 0.00 P ATOM 411 OP1 DG B 14 22.397 37.549 13.973 1.00 0.00 O ATOM 412 OP2 DG B 14 20.528 36.568 15.417 1.00 0.00 O ATOM 413 O5' DG B 14 22.915 36.433 16.187 1.00 0.00 O ATOM 414 C5' DG B 14 24.305 36.426 15.879 1.00 0.00 C ATOM 415 C4' DG B 14 25.170 35.902 17.040 1.00 0.00 C ATOM 416 O4' DG B 14 25.472 36.927 17.989 1.00 0.00 O ATOM 417 C3' DG B 14 24.548 34.729 17.829 1.00 0.00 C ATOM 418 O3' DG B 14 25.413 33.612 17.897 1.00 0.00 O ATOM 419 C2' DG B 14 24.405 35.329 19.222 1.00 0.00 C ATOM 420 C1' DG B 14 25.598 36.286 19.246 1.00 0.00 C ATOM 421 N9 DG B 14 25.603 37.221 20.404 1.00 0.00 N ATOM 422 C8 DG B 14 24.645 37.408 21.378 1.00 0.00 C ATOM 423 N7 DG B 14 25.013 38.189 22.360 1.00 0.00 N ATOM 424 C5 DG B 14 26.320 38.559 22.015 1.00 0.00 C ATOM 425 C6 DG B 14 27.297 39.370 22.700 1.00 0.00 C ATOM 426 O6 DG B 14 27.223 39.943 23.788 1.00 0.00 O ATOM 427 N1 DG B 14 28.491 39.489 22.020 1.00 0.00 N ATOM 428 C2 DG B 14 28.739 38.898 20.828 1.00 0.00 C ATOM 429 N2 DG B 14 29.923 39.079 20.311 1.00 0.00 N ATOM 430 N3 DG B 14 27.882 38.122 20.167 1.00 0.00 N ATOM 431 C4 DG B 14 26.678 37.990 20.809 1.00 0.00 C ATOM 0 H5' DG B 14 24.621 37.437 15.624 1.00 0.00 H new ATOM 0 H5'' DG B 14 24.474 35.807 14.998 1.00 0.00 H new ATOM 0 H4' DG B 14 26.069 35.546 16.537 1.00 0.00 H new ATOM 0 H3' DG B 14 23.626 34.365 17.377 1.00 0.00 H new ATOM 0 H2' DG B 14 23.456 35.849 19.353 1.00 0.00 H new ATOM 0 H2'' DG B 14 24.465 34.574 20.005 1.00 0.00 H new ATOM 0 H1' DG B 14 26.555 35.783 19.384 1.00 0.00 H new ATOM 0 H8 DG B 14 23.670 36.947 21.333 1.00 0.00 H new ATOM 0 H1 DG B 14 29.229 40.055 22.439 1.00 0.00 H new ATOM 0 H21 DG B 14 30.158 38.654 19.414 1.00 0.00 H new ATOM 0 H22 DG B 14 30.613 39.645 20.804 1.00 0.00 H new ATOM 443 P DA B 15 25.367 32.470 16.772 1.00 0.00 P ATOM 444 OP1 DA B 15 25.335 33.105 15.430 1.00 0.00 O ATOM 445 OP2 DA B 15 24.304 31.501 17.136 1.00 0.00 O ATOM 446 O5' DA B 15 26.791 31.749 16.958 1.00 0.00 O ATOM 447 C5' DA B 15 28.017 32.413 16.665 1.00 0.00 C ATOM 448 C4' DA B 15 28.846 32.787 17.907 1.00 0.00 C ATOM 449 O4' DA B 15 28.362 33.895 18.664 1.00 0.00 O ATOM 450 C3' DA B 15 28.984 31.646 18.922 1.00 0.00 C ATOM 451 O3' DA B 15 29.994 30.719 18.539 1.00 0.00 O ATOM 452 C2' DA B 15 29.311 32.423 20.199 1.00 0.00 C ATOM 453 C1' DA B 15 29.157 33.897 19.839 1.00 0.00 C ATOM 454 N9 DA B 15 28.607 34.652 20.987 1.00 0.00 N ATOM 455 C8 DA B 15 27.369 34.533 21.573 1.00 0.00 C ATOM 456 N7 DA B 15 27.234 35.205 22.688 1.00 0.00 N ATOM 457 C5 DA B 15 28.498 35.792 22.860 1.00 0.00 C ATOM 458 C6 DA B 15 29.100 36.615 23.847 1.00 0.00 C ATOM 459 N6 DA B 15 28.495 37.057 24.933 1.00 0.00 N ATOM 460 N1 DA B 15 30.369 37.010 23.744 1.00 0.00 N ATOM 461 C2 DA B 15 31.059 36.610 22.684 1.00 0.00 C ATOM 462 N3 DA B 15 30.643 35.836 21.685 1.00 0.00 N ATOM 463 C4 DA B 15 29.339 35.463 21.830 1.00 0.00 C ATOM 0 H5' DA B 15 27.800 33.320 16.101 1.00 0.00 H new ATOM 0 H5'' DA B 15 28.619 31.773 16.020 1.00 0.00 H new ATOM 0 H4' DA B 15 29.798 33.041 17.441 1.00 0.00 H new ATOM 0 H3' DA B 15 28.104 31.011 19.024 1.00 0.00 H new ATOM 0 H2' DA B 15 28.636 32.146 21.009 1.00 0.00 H new ATOM 0 H2'' DA B 15 30.324 32.207 20.540 1.00 0.00 H new ATOM 0 H1' DA B 15 30.094 34.413 19.632 1.00 0.00 H new ATOM 0 H8 DA B 15 26.575 33.936 21.149 1.00 0.00 H new ATOM 0 H61 DA B 15 29.001 37.646 25.595 1.00 0.00 H new ATOM 0 H62 DA B 15 27.522 36.810 25.111 1.00 0.00 H new ATOM 0 H2 DA B 15 32.081 36.954 22.625 1.00 0.00 H new ATOM 475 P DT B 16 30.384 29.437 19.444 1.00 0.00 P ATOM 476 OP1 DT B 16 31.156 28.497 18.591 1.00 0.00 O ATOM 477 OP2 DT B 16 29.166 28.944 20.134 1.00 0.00 O ATOM 478 O5' DT B 16 31.374 30.068 20.548 1.00 0.00 O ATOM 479 C5' DT B 16 32.586 30.714 20.164 1.00 0.00 C ATOM 480 C4' DT B 16 33.235 31.494 21.320 1.00 0.00 C ATOM 481 O4' DT B 16 32.399 32.522 21.830 1.00 0.00 O ATOM 482 C3' DT B 16 33.567 30.588 22.498 1.00 0.00 C ATOM 483 O3' DT B 16 34.834 29.996 22.252 1.00 0.00 O ATOM 484 C2' DT B 16 33.595 31.576 23.660 1.00 0.00 C ATOM 485 C1' DT B 16 32.698 32.732 23.202 1.00 0.00 C ATOM 486 N1 DT B 16 31.437 32.855 23.990 1.00 0.00 N ATOM 487 C2 DT B 16 31.443 33.731 25.079 1.00 0.00 C ATOM 488 O2 DT B 16 32.457 34.275 25.508 1.00 0.00 O ATOM 489 N3 DT B 16 30.238 33.977 25.692 1.00 0.00 N ATOM 490 C4 DT B 16 29.033 33.407 25.355 1.00 0.00 C ATOM 491 O4 DT B 16 28.020 33.786 25.941 1.00 0.00 O ATOM 492 C5 DT B 16 29.114 32.400 24.292 1.00 0.00 C ATOM 493 C7 DT B 16 27.873 31.619 23.890 1.00 0.00 C ATOM 494 C6 DT B 16 30.293 32.158 23.653 1.00 0.00 C ATOM 0 H5' DT B 16 32.383 31.397 19.339 1.00 0.00 H new ATOM 0 H5'' DT B 16 33.289 29.968 19.795 1.00 0.00 H new ATOM 0 H4' DT B 16 34.137 31.924 20.886 1.00 0.00 H new ATOM 0 H3' DT B 16 32.877 29.765 22.683 1.00 0.00 H new ATOM 0 H2' DT B 16 33.220 31.121 24.577 1.00 0.00 H new ATOM 0 H2'' DT B 16 34.609 31.918 23.866 1.00 0.00 H new ATOM 0 H1' DT B 16 33.235 33.667 23.361 1.00 0.00 H new ATOM 0 H3 DT B 16 30.237 34.642 26.466 1.00 0.00 H new ATOM 0 H71 DT B 16 27.214 31.514 24.752 1.00 0.00 H new ATOM 0 H72 DT B 16 27.350 32.151 23.095 1.00 0.00 H new ATOM 0 H73 DT B 16 28.164 30.631 23.534 1.00 0.00 H new ATOM 0 H6 DT B 16 30.333 31.412 22.873 1.00 0.00 H new ATOM 507 P DG B 17 35.112 28.436 22.510 1.00 0.00 P ATOM 508 OP1 DG B 17 36.427 28.097 21.912 1.00 0.00 O ATOM 509 OP2 DG B 17 33.919 27.646 22.121 1.00 0.00 O ATOM 510 O5' DG B 17 35.240 28.405 24.104 1.00 0.00 O ATOM 511 C5' DG B 17 36.356 28.982 24.771 1.00 0.00 C ATOM 512 C4' DG B 17 36.214 28.881 26.294 1.00 0.00 C ATOM 513 O4' DG B 17 35.185 29.751 26.751 1.00 0.00 O ATOM 514 C3' DG B 17 35.849 27.452 26.732 1.00 0.00 C ATOM 515 O3' DG B 17 36.501 27.065 27.925 1.00 0.00 O ATOM 516 C2' DG B 17 34.357 27.590 26.994 1.00 0.00 C ATOM 517 C1' DG B 17 34.278 29.012 27.549 1.00 0.00 C ATOM 518 N9 DG B 17 32.935 29.640 27.466 1.00 0.00 N ATOM 519 C8 DG B 17 31.967 29.509 26.498 1.00 0.00 C ATOM 520 N7 DG B 17 30.914 30.264 26.680 1.00 0.00 N ATOM 521 C5 DG B 17 31.197 30.941 27.874 1.00 0.00 C ATOM 522 C6 DG B 17 30.454 31.918 28.630 1.00 0.00 C ATOM 523 O6 DG B 17 29.347 32.399 28.404 1.00 0.00 O ATOM 524 N1 DG B 17 31.101 32.356 29.767 1.00 0.00 N ATOM 525 C2 DG B 17 32.309 31.904 30.161 1.00 0.00 C ATOM 526 N2 DG B 17 32.815 32.404 31.252 1.00 0.00 N ATOM 527 N3 DG B 17 33.037 31.017 29.492 1.00 0.00 N ATOM 528 C4 DG B 17 32.431 30.562 28.356 1.00 0.00 C ATOM 0 H5' DG B 17 36.453 30.029 24.482 1.00 0.00 H new ATOM 0 H5'' DG B 17 37.270 28.479 24.456 1.00 0.00 H new ATOM 0 H4' DG B 17 37.176 29.160 26.724 1.00 0.00 H new ATOM 0 H3' DG B 17 36.133 26.701 25.995 1.00 0.00 H new ATOM 0 H2' DG B 17 33.768 27.471 26.085 1.00 0.00 H new ATOM 0 H2'' DG B 17 33.995 26.850 27.708 1.00 0.00 H new ATOM 0 H1' DG B 17 34.508 28.996 28.614 1.00 0.00 H new ATOM 0 H8 DG B 17 32.068 28.839 25.657 1.00 0.00 H new ATOM 0 H1 DG B 17 30.640 33.061 30.342 1.00 0.00 H new ATOM 0 H21 DG B 17 33.727 32.088 31.583 1.00 0.00 H new ATOM 0 H22 DG B 17 32.300 33.112 31.775 1.00 0.00 H new ATOM 540 P DT B 18 37.995 26.470 27.900 1.00 0.00 P ATOM 541 OP1 DT B 18 38.802 27.184 26.879 1.00 0.00 O ATOM 542 OP2 DT B 18 37.908 24.990 27.850 1.00 0.00 O ATOM 543 O5' DT B 18 38.523 26.897 29.356 1.00 0.00 O ATOM 544 C5' DT B 18 38.573 28.264 29.755 1.00 0.00 C ATOM 545 C4' DT B 18 37.617 28.577 30.918 1.00 0.00 C ATOM 546 O4' DT B 18 36.242 28.643 30.560 1.00 0.00 O ATOM 547 C3' DT B 18 37.732 27.592 32.092 1.00 0.00 C ATOM 548 O3' DT B 18 38.326 28.274 33.190 1.00 0.00 O ATOM 549 C2' DT B 18 36.273 27.173 32.319 1.00 0.00 C ATOM 550 C1' DT B 18 35.509 28.359 31.740 1.00 0.00 C ATOM 551 N1 DT B 18 34.063 28.145 31.434 1.00 0.00 N ATOM 552 C2 DT B 18 33.121 28.992 32.040 1.00 0.00 C ATOM 553 O2 DT B 18 33.371 29.751 32.971 1.00 0.00 O ATOM 554 N3 DT B 18 31.838 28.954 31.555 1.00 0.00 N ATOM 555 C4 DT B 18 31.412 28.176 30.510 1.00 0.00 C ATOM 556 O4 DT B 18 30.295 28.376 30.044 1.00 0.00 O ATOM 557 C5 DT B 18 32.375 27.174 30.059 1.00 0.00 C ATOM 558 C7 DT B 18 31.934 26.106 29.071 1.00 0.00 C ATOM 559 C6 DT B 18 33.657 27.194 30.518 1.00 0.00 C ATOM 0 H5' DT B 18 38.322 28.896 28.903 1.00 0.00 H new ATOM 0 H5'' DT B 18 39.592 28.515 30.050 1.00 0.00 H new ATOM 0 H4' DT B 18 37.953 29.569 31.221 1.00 0.00 H new ATOM 0 H3' DT B 18 38.360 26.716 31.931 1.00 0.00 H new ATOM 0 H2' DT B 18 36.031 26.242 31.806 1.00 0.00 H new ATOM 0 H2'' DT B 18 36.052 27.021 33.375 1.00 0.00 H new ATOM 0 H1' DT B 18 35.454 29.163 32.474 1.00 0.00 H new ATOM 0 H3 DT B 18 31.147 29.552 32.008 1.00 0.00 H new ATOM 0 H71 DT B 18 30.875 25.893 29.214 1.00 0.00 H new ATOM 0 H72 DT B 18 32.099 26.461 28.054 1.00 0.00 H new ATOM 0 H73 DT B 18 32.512 25.197 29.236 1.00 0.00 H new ATOM 0 H6 DT B 18 34.364 26.459 30.162 1.00 0.00 H new ATOM 572 P DA B 19 39.158 27.495 34.334 1.00 0.00 P ATOM 573 OP1 DA B 19 40.072 28.469 34.982 1.00 0.00 O ATOM 574 OP2 DA B 19 39.733 26.246 33.772 1.00 0.00 O ATOM 575 O5' DA B 19 38.003 27.094 35.377 1.00 0.00 O ATOM 576 C5' DA B 19 37.401 28.094 36.186 1.00 0.00 C ATOM 577 C4' DA B 19 36.039 27.680 36.744 1.00 0.00 C ATOM 578 O4' DA B 19 35.081 27.580 35.705 1.00 0.00 O ATOM 579 C3' DA B 19 35.984 26.376 37.557 1.00 0.00 C ATOM 580 O3' DA B 19 35.803 26.715 38.930 1.00 0.00 O ATOM 581 C2' DA B 19 34.794 25.647 36.910 1.00 0.00 C ATOM 582 C1' DA B 19 34.041 26.763 36.186 1.00 0.00 C ATOM 583 N9 DA B 19 33.231 26.313 35.034 1.00 0.00 N ATOM 584 C8 DA B 19 33.603 25.474 34.010 1.00 0.00 C ATOM 585 N7 DA B 19 32.684 25.290 33.099 1.00 0.00 N ATOM 586 C5 DA B 19 31.625 26.083 33.567 1.00 0.00 C ATOM 587 C6 DA B 19 30.324 26.380 33.098 1.00 0.00 C ATOM 588 N6 DA B 19 29.808 25.887 31.994 1.00 0.00 N ATOM 589 N1 DA B 19 29.522 27.223 33.747 1.00 0.00 N ATOM 590 C2 DA B 19 29.976 27.766 34.865 1.00 0.00 C ATOM 591 N3 DA B 19 31.160 27.585 35.443 1.00 0.00 N ATOM 592 C4 DA B 19 31.950 26.723 34.734 1.00 0.00 C ATOM 0 H5' DA B 19 37.284 29.005 35.599 1.00 0.00 H new ATOM 0 H5'' DA B 19 38.068 28.332 37.014 1.00 0.00 H new ATOM 0 H4' DA B 19 35.818 28.482 37.449 1.00 0.00 H new ATOM 0 H3' DA B 19 36.874 25.746 37.543 1.00 0.00 H new ATOM 0 H2' DA B 19 35.126 24.873 36.218 1.00 0.00 H new ATOM 0 H2'' DA B 19 34.168 25.160 37.657 1.00 0.00 H new ATOM 0 H1' DA B 19 33.328 27.236 36.861 1.00 0.00 H new ATOM 0 H8 DA B 19 34.575 25.005 33.962 1.00 0.00 H new ATOM 0 H61 DA B 19 28.861 26.144 31.714 1.00 0.00 H new ATOM 0 H62 DA B 19 30.354 25.247 31.417 1.00 0.00 H new ATOM 0 H2 DA B 19 29.301 28.440 35.371 1.00 0.00 H new ATOM 604 P DC B 20 35.690 25.613 40.106 1.00 0.00 P ATOM 605 OP1 DC B 20 36.063 26.268 41.384 1.00 0.00 O ATOM 606 OP2 DC B 20 36.410 24.382 39.695 1.00 0.00 O ATOM 607 O5' DC B 20 34.111 25.296 40.138 1.00 0.00 O ATOM 608 C5' DC B 20 33.171 26.305 40.495 1.00 0.00 C ATOM 609 C4' DC B 20 31.731 25.946 40.104 1.00 0.00 C ATOM 610 O4' DC B 20 31.596 25.807 38.694 1.00 0.00 O ATOM 611 C3' DC B 20 31.230 24.632 40.726 1.00 0.00 C ATOM 612 O3' DC B 20 30.451 24.875 41.896 1.00 0.00 O ATOM 613 C2' DC B 20 30.426 24.009 39.582 1.00 0.00 C ATOM 614 C1' DC B 20 30.416 25.061 38.476 1.00 0.00 C ATOM 615 N1 DC B 20 30.390 24.451 37.119 1.00 0.00 N ATOM 616 C2 DC B 20 29.238 24.561 36.321 1.00 0.00 C ATOM 617 O2 DC B 20 28.236 25.173 36.694 1.00 0.00 O ATOM 618 N3 DC B 20 29.192 23.994 35.088 1.00 0.00 N ATOM 619 C4 DC B 20 30.246 23.318 34.675 1.00 0.00 C ATOM 620 N4 DC B 20 30.182 22.828 33.469 1.00 0.00 N ATOM 621 C5 DC B 20 31.429 23.151 35.442 1.00 0.00 C ATOM 622 C6 DC B 20 31.467 23.732 36.664 1.00 0.00 C ATOM 0 H5' DC B 20 33.450 27.242 40.012 1.00 0.00 H new ATOM 0 H5'' DC B 20 33.218 26.474 41.571 1.00 0.00 H new ATOM 0 H4' DC B 20 31.134 26.774 40.486 1.00 0.00 H new ATOM 0 H3' DC B 20 32.024 23.974 41.079 1.00 0.00 H new ATOM 0 H2' DC B 20 30.885 23.082 39.239 1.00 0.00 H new ATOM 0 H2'' DC B 20 29.413 23.764 39.901 1.00 0.00 H new ATOM 0 H1' DC B 20 29.521 25.682 38.512 1.00 0.00 H new ATOM 0 H41 DC B 20 30.966 22.295 33.093 1.00 0.00 H new ATOM 0 H42 DC B 20 29.348 22.977 32.902 1.00 0.00 H new ATOM 0 H5 DC B 20 32.266 22.582 35.065 1.00 0.00 H new ATOM 0 H6 DC B 20 32.347 23.630 37.282 1.00 0.00 H new ATOM 634 P DA B 21 29.915 23.683 42.856 1.00 0.00 P ATOM 635 OP1 DA B 21 29.596 24.274 44.181 1.00 0.00 O ATOM 636 OP2 DA B 21 30.875 22.552 42.797 1.00 0.00 O ATOM 637 O5' DA B 21 28.533 23.201 42.169 1.00 0.00 O ATOM 638 C5' DA B 21 27.410 24.077 42.085 1.00 0.00 C ATOM 639 C4' DA B 21 26.380 23.641 41.027 1.00 0.00 C ATOM 640 O4' DA B 21 26.997 23.467 39.763 1.00 0.00 O ATOM 641 C3' DA B 21 25.669 22.318 41.337 1.00 0.00 C ATOM 642 O3' DA B 21 24.424 22.567 41.980 1.00 0.00 O ATOM 643 C2' DA B 21 25.490 21.672 39.958 1.00 0.00 C ATOM 644 C1' DA B 21 26.179 22.625 38.987 1.00 0.00 C ATOM 645 N9 DA B 21 26.969 21.966 37.925 1.00 0.00 N ATOM 646 C8 DA B 21 28.211 21.384 38.011 1.00 0.00 C ATOM 647 N7 DA B 21 28.660 20.903 36.878 1.00 0.00 N ATOM 648 C5 DA B 21 27.616 21.188 35.978 1.00 0.00 C ATOM 649 C6 DA B 21 27.381 20.964 34.597 1.00 0.00 C ATOM 650 N6 DA B 21 28.201 20.362 33.756 1.00 0.00 N ATOM 651 N1 DA B 21 26.258 21.373 34.009 1.00 0.00 N ATOM 652 C2 DA B 21 25.361 21.999 34.754 1.00 0.00 C ATOM 653 N3 DA B 21 25.425 22.281 36.048 1.00 0.00 N ATOM 654 C4 DA B 21 26.591 21.843 36.608 1.00 0.00 C ATOM 0 H5' DA B 21 27.758 25.083 41.851 1.00 0.00 H new ATOM 0 H5'' DA B 21 26.923 24.127 43.059 1.00 0.00 H new ATOM 0 H4' DA B 21 25.645 24.446 41.030 1.00 0.00 H new ATOM 0 H3' DA B 21 26.223 21.672 42.018 1.00 0.00 H new ATOM 0 H2' DA B 21 25.940 20.680 39.925 1.00 0.00 H new ATOM 0 H2'' DA B 21 24.435 21.551 39.712 1.00 0.00 H new ATOM 0 H1' DA B 21 25.410 23.172 38.442 1.00 0.00 H new ATOM 0 H8 DA B 21 28.769 21.328 38.934 1.00 0.00 H new ATOM 0 H61 DA B 21 27.936 20.251 32.777 1.00 0.00 H new ATOM 0 H62 DA B 21 29.099 20.008 34.085 1.00 0.00 H new ATOM 0 H2 DA B 21 24.465 22.320 34.244 1.00 0.00 H new ATOM 666 P DT B 22 23.610 21.408 42.753 1.00 0.00 P ATOM 667 OP1 DT B 22 22.600 22.074 43.615 1.00 0.00 O ATOM 668 OP2 DT B 22 24.583 20.486 43.388 1.00 0.00 O ATOM 669 O5' DT B 22 22.842 20.604 41.578 1.00 0.00 O ATOM 670 C5' DT B 22 21.557 21.017 41.123 1.00 0.00 C ATOM 671 C4' DT B 22 21.023 20.225 39.920 1.00 0.00 C ATOM 672 O4' DT B 22 21.744 20.505 38.728 1.00 0.00 O ATOM 673 C3' DT B 22 21.095 18.702 40.064 1.00 0.00 C ATOM 674 O3' DT B 22 20.095 18.177 40.928 1.00 0.00 O ATOM 675 C2' DT B 22 20.852 18.315 38.606 1.00 0.00 C ATOM 676 C1' DT B 22 21.455 19.468 37.801 1.00 0.00 C ATOM 677 N1 DT B 22 22.680 19.036 37.076 1.00 0.00 N ATOM 678 C2 DT B 22 22.541 18.645 35.737 1.00 0.00 C ATOM 679 O2 DT B 22 21.475 18.683 35.121 1.00 0.00 O ATOM 680 N3 DT B 22 23.672 18.181 35.111 1.00 0.00 N ATOM 681 C4 DT B 22 24.912 18.035 35.688 1.00 0.00 C ATOM 682 O4 DT B 22 25.839 17.625 34.992 1.00 0.00 O ATOM 683 C5 DT B 22 24.974 18.394 37.104 1.00 0.00 C ATOM 684 C7 DT B 22 26.262 18.205 37.884 1.00 0.00 C ATOM 685 C6 DT B 22 23.879 18.885 37.742 1.00 0.00 C ATOM 0 H5' DT B 22 21.602 22.073 40.856 1.00 0.00 H new ATOM 0 H5'' DT B 22 20.848 20.926 41.946 1.00 0.00 H new ATOM 0 H4' DT B 22 19.983 20.550 39.876 1.00 0.00 H new ATOM 0 H3' DT B 22 22.015 18.325 40.510 1.00 0.00 H new ATOM 0 H2' DT B 22 21.331 17.367 38.361 1.00 0.00 H new ATOM 0 H2'' DT B 22 19.788 18.198 38.398 1.00 0.00 H new ATOM 0 H1' DT B 22 20.757 19.814 37.039 1.00 0.00 H new ATOM 0 H3 DT B 22 23.584 17.921 34.129 1.00 0.00 H new ATOM 0 H71 DT B 22 26.321 18.953 38.675 1.00 0.00 H new ATOM 0 H72 DT B 22 26.277 17.208 38.325 1.00 0.00 H new ATOM 0 H73 DT B 22 27.114 18.318 37.213 1.00 0.00 H new ATOM 0 H6 DT B 22 23.948 19.161 38.784 1.00 0.00 H new ATOM 698 P DC B 23 20.104 16.636 41.419 1.00 0.00 P ATOM 699 OP1 DC B 23 19.073 16.493 42.477 1.00 0.00 O ATOM 700 OP2 DC B 23 21.499 16.240 41.726 1.00 0.00 O ATOM 701 O5' DC B 23 19.623 15.799 40.128 1.00 0.00 O ATOM 702 C5' DC B 23 18.327 15.987 39.571 1.00 0.00 C ATOM 703 C4' DC B 23 18.120 15.244 38.239 1.00 0.00 C ATOM 704 O4' DC B 23 19.164 15.569 37.315 1.00 0.00 O ATOM 705 C3' DC B 23 18.085 13.713 38.393 1.00 0.00 C ATOM 706 O3' DC B 23 17.034 13.182 37.591 1.00 0.00 O ATOM 707 C2' DC B 23 19.480 13.325 37.915 1.00 0.00 C ATOM 708 C1' DC B 23 19.762 14.372 36.835 1.00 0.00 C ATOM 709 N1 DC B 23 21.224 14.562 36.591 1.00 0.00 N ATOM 710 C2 DC B 23 21.742 14.373 35.299 1.00 0.00 C ATOM 711 O2 DC B 23 21.022 14.212 34.316 1.00 0.00 O ATOM 712 N3 DC B 23 23.082 14.363 35.084 1.00 0.00 N ATOM 713 C4 DC B 23 23.880 14.595 36.103 1.00 0.00 C ATOM 714 N4 DC B 23 25.154 14.557 35.848 1.00 0.00 N ATOM 715 C5 DC B 23 23.420 14.881 37.416 1.00 0.00 C ATOM 716 C6 DC B 23 22.081 14.851 37.625 1.00 0.00 C ATOM 0 H5' DC B 23 18.158 17.052 39.414 1.00 0.00 H new ATOM 0 H5'' DC B 23 17.579 15.648 40.288 1.00 0.00 H new ATOM 0 H4' DC B 23 17.149 15.573 37.869 1.00 0.00 H new ATOM 0 H3' DC B 23 17.880 13.336 39.395 1.00 0.00 H new ATOM 0 H2' DC B 23 20.212 13.367 38.722 1.00 0.00 H new ATOM 0 H2'' DC B 23 19.505 12.312 37.514 1.00 0.00 H new ATOM 0 H1' DC B 23 19.354 14.061 35.873 1.00 0.00 H new ATOM 0 H41 DC B 23 25.829 14.728 36.594 1.00 0.00 H new ATOM 0 H42 DC B 23 25.479 14.356 34.902 1.00 0.00 H new ATOM 0 H5 DC B 23 24.109 15.113 38.215 1.00 0.00 H new ATOM 0 H6 DC B 23 21.686 15.055 38.609 1.00 0.00 H new ATOM 728 P DG B 24 16.617 11.621 37.615 1.00 0.00 P ATOM 729 OP1 DG B 24 15.219 11.514 37.126 1.00 0.00 O ATOM 730 OP2 DG B 24 16.957 11.047 38.940 1.00 0.00 O ATOM 731 O5' DG B 24 17.596 10.974 36.512 1.00 0.00 O ATOM 732 C5' DG B 24 17.481 11.338 35.141 1.00 0.00 C ATOM 733 C4' DG B 24 18.654 10.846 34.281 1.00 0.00 C ATOM 734 O4' DG B 24 19.880 11.444 34.704 1.00 0.00 O ATOM 735 C3' DG B 24 18.858 9.317 34.322 1.00 0.00 C ATOM 736 O3' DG B 24 19.038 8.780 33.012 1.00 0.00 O ATOM 737 C2' DG B 24 20.156 9.198 35.114 1.00 0.00 C ATOM 738 C1' DG B 24 20.883 10.448 34.623 1.00 0.00 C ATOM 739 N9 DG B 24 22.087 10.778 35.422 1.00 0.00 N ATOM 740 C8 DG B 24 22.196 10.979 36.776 1.00 0.00 C ATOM 741 N7 DG B 24 23.420 11.179 37.193 1.00 0.00 N ATOM 742 C5 DG B 24 24.187 11.089 36.022 1.00 0.00 C ATOM 743 C6 DG B 24 25.610 11.179 35.795 1.00 0.00 C ATOM 744 O6 DG B 24 26.520 11.374 36.604 1.00 0.00 O ATOM 745 N1 DG B 24 25.973 11.001 34.473 1.00 0.00 N ATOM 746 C2 DG B 24 25.084 10.764 33.475 1.00 0.00 C ATOM 747 N2 DG B 24 25.555 10.605 32.265 1.00 0.00 N ATOM 748 N3 DG B 24 23.767 10.668 33.633 1.00 0.00 N ATOM 749 C4 DG B 24 23.375 10.843 34.934 1.00 0.00 C ATOM 0 H5' DG B 24 17.414 12.423 35.065 1.00 0.00 H new ATOM 0 H5'' DG B 24 16.552 10.932 34.741 1.00 0.00 H new ATOM 0 H4' DG B 24 18.393 11.136 33.263 1.00 0.00 H new ATOM 0 H3' DG B 24 18.011 8.779 34.748 1.00 0.00 H new ATOM 0 H2' DG B 24 19.989 9.209 36.191 1.00 0.00 H new ATOM 0 H2'' DG B 24 20.701 8.282 34.885 1.00 0.00 H new ATOM 0 HO3' DG B 24 19.166 7.810 33.071 1.00 0.00 H new ATOM 0 H1' DG B 24 21.290 10.330 33.619 1.00 0.00 H new ATOM 0 H8 DG B 24 21.344 10.973 37.440 1.00 0.00 H new ATOM 0 H1 DG B 24 26.963 11.050 34.234 1.00 0.00 H new ATOM 0 H21 DG B 24 24.918 10.425 31.489 1.00 0.00 H new ATOM 0 H22 DG B 24 26.560 10.661 32.097 1.00 0.00 H new TER 762 DG B 24 HETATM 763 O81 9TK A 101 23.185 29.619 38.589 1.00 0.00 O HETATM 764 C81 9TK A 101 23.776 29.091 37.651 1.00 0.00 C HETATM 765 C83 9TK A 101 21.621 26.701 35.942 1.00 0.00 C HETATM 766 N81 9TK A 101 21.854 27.634 36.923 1.00 0.00 N HETATM 767 C88 9TK A 101 20.853 28.062 37.909 1.00 0.00 C HETATM 768 C82 9TK A 101 23.176 28.037 36.762 1.00 0.00 C HETATM 769 N82 9TK A 101 23.765 27.386 35.762 1.00 0.00 N HETATM 770 C84 9TK A 101 22.793 26.556 35.254 1.00 0.00 C HETATM 776 N PYB A 102 25.076 29.447 37.307 1.00 0.00 N HETATM 777 CA PYB A 102 25.905 30.346 37.968 1.00 0.00 C HETATM 778 CB1 PYB A 102 27.164 30.795 37.493 1.00 0.00 C HETATM 779 CB PYB A 102 25.651 30.936 39.177 1.00 0.00 C HETATM 780 CG1 PYB A 102 27.661 31.676 38.426 1.00 0.00 C HETATM 781 NG2 PYB A 102 26.707 31.791 39.445 1.00 0.00 N HETATM 782 CD PYB A 102 26.708 32.705 40.599 1.00 0.00 C HETATM 783 C PYB A 102 28.966 32.385 38.510 1.00 0.00 C HETATM 784 O PYB A 102 29.287 33.012 39.511 1.00 0.00 O HETATM 0 HD3 PYB A 102 25.861 33.387 40.524 1.00 0.00 H new HETATM 0 HD2 PYB A 102 26.628 32.128 41.520 1.00 0.00 H new HETATM 0 HD1 PYB A 102 27.636 33.277 40.609 1.00 0.00 H new HETATM 0 HB1 PYB A 102 27.648 30.498 36.562 1.00 0.00 H new HETATM 0 HB PYB A 102 24.780 30.765 39.810 1.00 0.00 H new HETATM 0 H PYB A 102 25.360 29.058 36.408 1.00 0.00 H new HETATM 791 N PYB A 103 29.804 32.314 37.403 1.00 0.00 N HETATM 792 CA PYB A 103 31.110 32.803 37.368 1.00 0.00 C HETATM 793 CB1 PYB A 103 31.860 33.145 36.212 1.00 0.00 C HETATM 794 CB PYB A 103 31.872 33.066 38.474 1.00 0.00 C HETATM 795 CG1 PYB A 103 33.053 33.689 36.640 1.00 0.00 C HETATM 796 NG2 PYB A 103 33.052 33.642 38.042 1.00 0.00 N HETATM 797 CD PYB A 103 34.069 34.121 38.992 1.00 0.00 C HETATM 798 C PYB A 103 34.225 34.242 35.899 1.00 0.00 C HETATM 799 O PYB A 103 35.211 34.652 36.495 1.00 0.00 O HETATM 0 HD3 PYB A 103 33.637 34.892 39.630 1.00 0.00 H new HETATM 0 HD2 PYB A 103 34.411 33.290 39.609 1.00 0.00 H new HETATM 0 HD1 PYB A 103 34.914 34.536 38.442 1.00 0.00 H new HETATM 0 HB1 PYB A 103 31.550 33.004 35.177 1.00 0.00 H new HETATM 0 HB PYB A 103 31.598 32.859 39.508 1.00 0.00 H new HETATM 0 H PYB A 103 29.290 32.169 36.534 1.00 0.00 H new HETATM 806 N PYB A 104 34.159 34.288 34.508 1.00 0.00 N HETATM 807 CA PYB A 104 35.184 34.721 33.656 1.00 0.00 C HETATM 808 CB1 PYB A 104 35.103 34.840 32.242 1.00 0.00 C HETATM 809 CB PYB A 104 36.443 35.113 34.040 1.00 0.00 C HETATM 810 CG1 PYB A 104 36.316 35.322 31.792 1.00 0.00 C HETATM 811 NG2 PYB A 104 37.121 35.544 32.912 1.00 0.00 N HETATM 812 CD PYB A 104 38.459 36.149 32.977 1.00 0.00 C HETATM 813 C PYB A 104 36.840 35.543 30.415 1.00 0.00 C HETATM 814 O PYB A 104 37.955 35.976 30.166 1.00 0.00 O HETATM 0 HD3 PYB A 104 38.422 37.049 33.590 1.00 0.00 H new HETATM 0 HD2 PYB A 104 39.159 35.439 33.418 1.00 0.00 H new HETATM 0 HD1 PYB A 104 38.790 36.408 31.971 1.00 0.00 H new HETATM 0 HB1 PYB A 104 34.239 34.595 31.624 1.00 0.00 H new HETATM 0 HB PYB A 104 36.839 35.089 35.055 1.00 0.00 H new HETATM 0 H PYB A 104 33.253 34.023 34.122 1.00 0.00 H new HETATM 821 N ABU A 105 36.014 35.160 29.383 1.00 0.00 N HETATM 822 CA ABU A 105 36.526 35.101 28.001 1.00 0.00 C HETATM 823 CB ABU A 105 35.628 34.355 26.987 1.00 0.00 C HETATM 824 CG ABU A 105 35.342 32.862 27.317 1.00 0.00 C HETATM 825 CD ABU A 105 36.324 32.235 28.314 1.00 0.00 C HETATM 826 OE1 ABU A 105 37.510 32.079 28.068 1.00 0.00 O HETATM 0 H ABU A 105 35.033 34.901 29.491 1.00 0.00 H new HETATM 0 HB1 ABU A 105 34.676 34.882 26.915 1.00 0.00 H new HETATM 0 HB2 ABU A 105 36.097 34.408 26.005 1.00 0.00 H new HETATM 0 HG1 ABU A 105 34.704 32.434 26.544 1.00 0.00 H new HETATM 0 HG2 ABU A 105 36.282 32.312 27.357 1.00 0.00 H new HETATM 0 HE2 ABU A 105 34.839 32.792 28.282 1.00 0.00 H new HETATM 834 N IMT A 106 35.762 31.949 29.530 1.00 0.00 N HETATM 835 CA IMT A 106 36.357 31.879 30.755 1.00 0.00 C HETATM 836 NB1 IMT A 106 35.679 31.601 31.909 1.00 0.00 N HETATM 837 CB IMT A 106 37.665 32.191 31.008 1.00 0.00 C HETATM 838 CG1 IMT A 106 36.584 31.716 32.878 1.00 0.00 C HETATM 839 NG2 IMT A 106 37.828 32.083 32.370 1.00 0.00 N HETATM 840 CD IMT A 106 39.093 32.321 33.079 1.00 0.00 C HETATM 841 C IMT A 106 36.386 31.503 34.357 1.00 0.00 C HETATM 842 O IMT A 106 37.263 31.695 35.195 1.00 0.00 O HETATM 0 HN2 IMT A 106 34.758 31.790 29.441 1.00 0.00 H new HETATM 0 HD3 IMT A 106 39.851 31.628 32.714 1.00 0.00 H new HETATM 0 HD2 IMT A 106 39.423 33.345 32.902 1.00 0.00 H new HETATM 0 HD1 IMT A 106 38.945 32.168 34.148 1.00 0.00 H new HETATM 0 HB IMT A 106 38.425 32.469 30.278 1.00 0.00 H new HETATM 848 N PYB A 107 35.120 31.046 34.719 1.00 0.00 N HETATM 849 CA PYB A 107 34.649 30.783 36.002 1.00 0.00 C HETATM 850 CB1 PYB A 107 33.404 30.175 36.325 1.00 0.00 C HETATM 851 CB PYB A 107 35.310 31.072 37.164 1.00 0.00 C HETATM 852 CG1 PYB A 107 33.339 30.070 37.699 1.00 0.00 C HETATM 853 NG2 PYB A 107 34.537 30.598 38.208 1.00 0.00 N HETATM 854 CD PYB A 107 35.014 30.629 39.599 1.00 0.00 C HETATM 855 C PYB A 107 32.265 29.593 38.619 1.00 0.00 C HETATM 856 O PYB A 107 32.418 29.629 39.832 1.00 0.00 O HETATM 0 HD3 PYB A 107 35.928 30.041 39.683 1.00 0.00 H new HETATM 0 HD2 PYB A 107 35.217 31.659 39.891 1.00 0.00 H new HETATM 0 HD1 PYB A 107 34.251 30.209 40.255 1.00 0.00 H new HETATM 0 HB1 PYB A 107 32.641 29.851 35.617 1.00 0.00 H new HETATM 0 HB PYB A 107 36.269 31.582 37.251 1.00 0.00 H new HETATM 0 H PYB A 107 34.555 30.797 33.907 1.00 0.00 H new HETATM 863 N PYB A 108 31.078 29.113 38.072 1.00 0.00 N HETATM 864 CA PYB A 108 29.911 28.889 38.816 1.00 0.00 C HETATM 865 CB1 PYB A 108 28.784 28.092 38.462 1.00 0.00 C HETATM 866 CB PYB A 108 29.673 29.435 40.049 1.00 0.00 C HETATM 867 CG1 PYB A 108 27.925 28.084 39.546 1.00 0.00 C HETATM 868 NG2 PYB A 108 28.470 28.940 40.512 1.00 0.00 N HETATM 869 CD PYB A 108 27.923 29.340 41.820 1.00 0.00 C HETATM 870 C PYB A 108 26.629 27.385 39.811 1.00 0.00 C HETATM 871 O PYB A 108 26.074 27.463 40.898 1.00 0.00 O HETATM 0 HD3 PYB A 108 28.624 29.063 42.608 1.00 0.00 H new HETATM 0 HD2 PYB A 108 27.768 30.419 41.835 1.00 0.00 H new HETATM 0 HD1 PYB A 108 26.972 28.835 41.986 1.00 0.00 H new HETATM 0 HB1 PYB A 108 28.628 27.582 37.511 1.00 0.00 H new HETATM 0 HB PYB A 108 30.320 30.138 40.574 1.00 0.00 H new HETATM 0 H PYB A 108 31.191 28.678 37.156 1.00 0.00 H new HETATM 878 N PYB A 109 26.076 26.623 38.790 1.00 0.00 N HETATM 879 CA PYB A 109 24.817 26.011 38.831 1.00 0.00 C HETATM 880 CB1 PYB A 109 24.305 25.133 37.848 1.00 0.00 C HETATM 881 CB PYB A 109 23.855 26.159 39.802 1.00 0.00 C HETATM 882 CG1 PYB A 109 23.048 24.731 38.245 1.00 0.00 C HETATM 883 NG2 PYB A 109 22.767 25.371 39.453 1.00 0.00 N HETATM 884 CD PYB A 109 21.558 25.253 40.281 1.00 0.00 C HETATM 885 C PYB A 109 22.071 23.837 37.569 1.00 0.00 C HETATM 886 O PYB A 109 20.920 23.643 37.927 1.00 0.00 O HETATM 0 HD3 PYB A 109 21.825 24.856 41.260 1.00 0.00 H new HETATM 0 HD2 PYB A 109 21.101 26.236 40.400 1.00 0.00 H new HETATM 0 HD1 PYB A 109 20.850 24.580 39.797 1.00 0.00 H new HETATM 0 HB1 PYB A 109 24.816 24.827 36.935 1.00 0.00 H new HETATM 0 HB PYB A 109 23.933 26.786 40.690 1.00 0.00 H new HETATM 0 H PYB A 109 26.703 26.447 38.005 1.00 0.00 H new HETATM 893 C01 9T8 A 110 13.467 24.448 31.770 1.00 0.00 C HETATM 894 N02 9T8 A 110 18.978 22.389 34.050 1.00 0.00 N HETATM 895 C03 9T8 A 110 15.484 23.364 32.762 1.00 0.00 C HETATM 896 C05 9T8 A 110 17.519 22.561 34.070 1.00 0.00 C HETATM 897 C06 9T8 A 110 19.863 23.401 34.349 1.00 0.00 C HETATM 898 C07 9T8 A 110 21.334 23.014 34.294 1.00 0.00 C HETATM 899 C04 9T8 A 110 17.007 23.128 32.731 1.00 0.00 C HETATM 900 N01 9T8 A 110 14.942 24.104 31.543 1.00 0.00 N HETATM 901 C02 9T8 A 110 15.064 23.241 30.283 1.00 0.00 C HETATM 902 N03 9T8 A 110 22.580 23.224 36.450 1.00 0.00 N HETATM 903 C08 9T8 A 110 21.825 22.315 35.579 1.00 0.00 C HETATM 904 O01 9T8 A 110 19.483 24.531 34.599 1.00 0.00 O