USER MOD reduce.3.24.130724 H: found=0, std=0, add=321, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 346 hydrogens (96 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 102 PYB HN2 : A 102 PYB N : A 101 9TK C81 :(H bumps) USER MOD NoAdj-H: A 103 PYB HN2 : A 103 PYB N : A 102 PYB C :(H bumps) USER MOD NoAdj-H: A 104 PYB HN2 : A 104 PYB N : A 103 PYB C :(H bumps) USER MOD NoAdj-H: A 106 IMT H : A 106 IMT N : A 105 ABU CD :(H bumps) USER MOD NoAdj-H: A 107 PYB HN2 : A 107 PYB N : A 106 IMT C :(H bumps) USER MOD NoAdj-H: A 108 PYB HN2 : A 108 PYB N : A 107 PYB C :(H bumps) USER MOD NoAdj-H: A 109 PYB HN2 : A 109 PYB N : A 108 PYB C :(H bumps) USER MOD Single : A 1 DCZ O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.508 (180deg=-0.508) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) 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=-0.00367 (180deg=-0.00367) USER MOD Single : B 18 DT C7 :methyl -30:sc= -1.68! (180deg=-2.36!) USER MOD Single : B 22 DT C7 :methyl 150:sc= -0.0793 (180deg=-0.0793) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 DCZ A 1 31.420 14.101 27.520 1.00 0.00 N HETATM 2 C2 DCZ A 1 32.247 13.562 28.522 1.00 0.00 C HETATM 3 N3 DCZ A 1 32.776 14.352 29.493 1.00 0.00 N HETATM 4 C4 DCZ A 1 32.471 15.632 29.491 1.00 0.00 C HETATM 5 C5 DCZ A 1 31.614 16.236 28.535 1.00 0.00 C HETATM 6 C6 DCZ A 1 31.110 15.445 27.556 1.00 0.00 C HETATM 7 O2 DCZ A 1 32.521 12.359 28.570 1.00 0.00 O HETATM 8 N4 DCZ A 1 33.028 16.348 30.428 1.00 0.00 N HETATM 9 C1' DCZ A 1 30.958 13.182 26.429 1.00 0.00 C HETATM 10 C2' DCZ A 1 29.830 13.686 25.522 1.00 0.00 C HETATM 11 C3' DCZ A 1 29.898 12.680 24.379 1.00 0.00 C HETATM 12 C4' DCZ A 1 31.404 12.359 24.329 1.00 0.00 C HETATM 13 O4' DCZ A 1 31.993 12.941 25.493 1.00 0.00 O HETATM 14 O3' DCZ A 1 29.119 11.536 24.704 1.00 0.00 O HETATM 15 C5' DCZ A 1 32.106 12.890 23.065 1.00 0.00 C HETATM 16 O5' DCZ A 1 32.016 14.308 22.935 1.00 0.00 O HETATM 0 HO51 DCZ A 1 32.478 14.592 22.119 1.00 0.00 H new HETATM 0 HN42 DCZ A 1 32.837 17.348 30.487 1.00 0.00 H new HETATM 0 HN41 DCZ A 1 33.655 15.908 31.102 1.00 0.00 H new HETATM 0 H5'2 DCZ A 1 33.156 12.598 23.089 1.00 0.00 H new HETATM 0 H5'1 DCZ A 1 31.664 12.421 22.186 1.00 0.00 H new HETATM 0 H2'2 DCZ A 1 28.862 13.674 26.024 1.00 0.00 H new HETATM 0 H2'1 DCZ A 1 30.001 14.707 25.182 1.00 0.00 H new HETATM 0 H6 DCZ A 1 30.458 15.872 26.795 1.00 0.00 H new HETATM 0 H5 DCZ A 1 31.370 17.297 28.586 1.00 0.00 H new HETATM 0 H4' DCZ A 1 31.527 11.276 24.299 1.00 0.00 H new HETATM 0 H3' DCZ A 1 29.510 13.036 23.425 1.00 0.00 H new HETATM 0 H1' DCZ A 1 30.621 12.325 27.012 1.00 0.00 H new ATOM 29 P DG A 2 27.670 11.299 24.036 1.00 0.00 P ATOM 30 OP1 DG A 2 27.125 10.039 24.600 1.00 0.00 O ATOM 31 OP2 DG A 2 27.803 11.428 22.563 1.00 0.00 O ATOM 32 O5' DG A 2 26.784 12.531 24.585 1.00 0.00 O ATOM 33 C5' DG A 2 25.370 12.561 24.414 1.00 0.00 C ATOM 34 C4' DG A 2 24.701 13.775 25.085 1.00 0.00 C ATOM 35 O4' DG A 2 24.933 13.737 26.493 1.00 0.00 O ATOM 36 C3' DG A 2 25.216 15.137 24.579 1.00 0.00 C ATOM 37 O3' DG A 2 24.176 16.096 24.448 1.00 0.00 O ATOM 38 C2' DG A 2 26.115 15.569 25.729 1.00 0.00 C ATOM 39 C1' DG A 2 25.299 15.041 26.912 1.00 0.00 C ATOM 40 N9 DG A 2 26.029 15.014 28.206 1.00 0.00 N ATOM 41 C8 DG A 2 27.367 15.216 28.462 1.00 0.00 C ATOM 42 N7 DG A 2 27.698 15.131 29.724 1.00 0.00 N ATOM 43 C5 DG A 2 26.479 14.860 30.364 1.00 0.00 C ATOM 44 C6 DG A 2 26.150 14.670 31.755 1.00 0.00 C ATOM 45 O6 DG A 2 26.884 14.689 32.745 1.00 0.00 O ATOM 46 N1 DG A 2 24.810 14.433 31.978 1.00 0.00 N ATOM 47 C2 DG A 2 23.881 14.372 30.997 1.00 0.00 C ATOM 48 N2 DG A 2 22.653 14.122 31.361 1.00 0.00 N ATOM 49 N3 DG A 2 24.133 14.542 29.701 1.00 0.00 N ATOM 50 C4 DG A 2 25.456 14.786 29.441 1.00 0.00 C ATOM 0 H5' DG A 2 24.942 11.646 24.824 1.00 0.00 H new ATOM 0 H5'' DG A 2 25.140 12.571 23.349 1.00 0.00 H new ATOM 0 H4' DG A 2 23.644 13.697 24.832 1.00 0.00 H new ATOM 0 H3' DG A 2 25.686 15.063 23.598 1.00 0.00 H new ATOM 0 H2' DG A 2 27.107 15.122 25.674 1.00 0.00 H new ATOM 0 H2'' DG A 2 26.254 16.649 25.767 1.00 0.00 H new ATOM 0 H1' DG A 2 24.454 15.695 27.130 1.00 0.00 H new ATOM 0 H8 DG A 2 28.085 15.428 27.683 1.00 0.00 H new ATOM 0 H1 DG A 2 24.501 14.295 32.940 1.00 0.00 H new ATOM 0 H21 DG A 2 21.915 14.066 30.660 1.00 0.00 H new ATOM 0 H22 DG A 2 22.432 13.983 32.347 1.00 0.00 H new ATOM 62 P DA A 3 23.342 16.249 23.084 1.00 0.00 P ATOM 63 OP1 DA A 3 22.825 14.915 22.686 1.00 0.00 O ATOM 64 OP2 DA A 3 24.176 17.011 22.122 1.00 0.00 O ATOM 65 O5' DA A 3 22.095 17.179 23.504 1.00 0.00 O ATOM 66 C5' DA A 3 21.048 16.714 24.354 1.00 0.00 C ATOM 67 C4' DA A 3 21.016 17.407 25.726 1.00 0.00 C ATOM 68 O4' DA A 3 22.120 17.078 26.563 1.00 0.00 O ATOM 69 C3' DA A 3 20.977 18.948 25.632 1.00 0.00 C ATOM 70 O3' DA A 3 19.684 19.562 25.765 1.00 0.00 O ATOM 71 C2' DA A 3 22.050 19.380 26.641 1.00 0.00 C ATOM 72 C1' DA A 3 22.208 18.127 27.506 1.00 0.00 C ATOM 73 N9 DA A 3 23.468 18.087 28.285 1.00 0.00 N ATOM 74 C8 DA A 3 24.757 18.301 27.857 1.00 0.00 C ATOM 75 N7 DA A 3 25.649 18.311 28.816 1.00 0.00 N ATOM 76 C5 DA A 3 24.875 18.096 29.968 1.00 0.00 C ATOM 77 C6 DA A 3 25.138 18.042 31.361 1.00 0.00 C ATOM 78 N6 DA A 3 26.318 18.210 31.923 1.00 0.00 N ATOM 79 N1 DA A 3 24.160 17.833 32.243 1.00 0.00 N ATOM 80 C2 DA A 3 22.932 17.648 31.778 1.00 0.00 C ATOM 81 N3 DA A 3 22.531 17.662 30.514 1.00 0.00 N ATOM 82 C4 DA A 3 23.555 17.916 29.649 1.00 0.00 C ATOM 0 H5' DA A 3 21.161 15.640 24.501 1.00 0.00 H new ATOM 0 H5'' DA A 3 20.091 16.869 23.856 1.00 0.00 H new ATOM 0 H4' DA A 3 20.092 17.028 26.164 1.00 0.00 H new ATOM 0 H3' DA A 3 21.194 19.307 24.626 1.00 0.00 H new ATOM 0 H2' DA A 3 22.983 19.655 26.149 1.00 0.00 H new ATOM 0 H2'' DA A 3 21.733 20.242 27.228 1.00 0.00 H new ATOM 0 H1' DA A 3 21.450 18.072 28.288 1.00 0.00 H new ATOM 0 H8 DA A 3 25.012 18.448 26.818 1.00 0.00 H new ATOM 0 H61 DA A 3 26.413 18.154 32.937 1.00 0.00 H new ATOM 0 H62 DA A 3 27.137 18.396 31.344 1.00 0.00 H new ATOM 0 H2 DA A 3 22.167 17.464 32.517 1.00 0.00 H new ATOM 94 P DT A 4 18.661 19.390 27.015 1.00 0.00 P ATOM 95 OP1 DT A 4 18.133 18.004 27.024 1.00 0.00 O ATOM 96 OP2 DT A 4 17.691 20.510 26.937 1.00 0.00 O ATOM 97 O5' DT A 4 19.597 19.593 28.303 1.00 0.00 O ATOM 98 C5' DT A 4 19.095 19.902 29.589 1.00 0.00 C ATOM 99 C4' DT A 4 20.012 20.910 30.295 1.00 0.00 C ATOM 100 O4' DT A 4 21.341 20.452 30.510 1.00 0.00 O ATOM 101 C3' DT A 4 20.267 22.188 29.497 1.00 0.00 C ATOM 102 O3' DT A 4 19.125 23.022 29.378 1.00 0.00 O ATOM 103 C2' DT A 4 21.377 22.800 30.353 1.00 0.00 C ATOM 104 C1' DT A 4 22.058 21.578 30.985 1.00 0.00 C ATOM 105 N1 DT A 4 23.528 21.509 30.730 1.00 0.00 N ATOM 106 C2 DT A 4 24.375 21.519 31.847 1.00 0.00 C ATOM 107 O2 DT A 4 23.973 21.535 33.007 1.00 0.00 O ATOM 108 N3 DT A 4 25.727 21.521 31.614 1.00 0.00 N ATOM 109 C4 DT A 4 26.327 21.502 30.375 1.00 0.00 C ATOM 110 O4 DT A 4 27.555 21.440 30.320 1.00 0.00 O ATOM 111 C5 DT A 4 25.395 21.546 29.244 1.00 0.00 C ATOM 112 C7 DT A 4 25.930 21.581 27.821 1.00 0.00 C ATOM 113 C6 DT A 4 24.048 21.542 29.451 1.00 0.00 C ATOM 0 H5' DT A 4 19.018 18.992 30.184 1.00 0.00 H new ATOM 0 H5'' DT A 4 18.089 20.313 29.504 1.00 0.00 H new ATOM 0 H4' DT A 4 19.453 21.068 31.217 1.00 0.00 H new ATOM 0 H3' DT A 4 20.525 22.029 28.450 1.00 0.00 H new ATOM 0 H2' DT A 4 22.075 23.381 29.750 1.00 0.00 H new ATOM 0 H2'' DT A 4 20.975 23.472 31.111 1.00 0.00 H new ATOM 0 H1' DT A 4 22.017 21.631 32.073 1.00 0.00 H new ATOM 0 H3 DT A 4 26.340 21.538 32.429 1.00 0.00 H new ATOM 0 H71 DT A 4 25.219 21.095 27.153 1.00 0.00 H new ATOM 0 H72 DT A 4 26.070 22.616 27.510 1.00 0.00 H new ATOM 0 H73 DT A 4 26.885 21.057 27.778 1.00 0.00 H new ATOM 0 H6 DT A 4 23.378 21.565 28.604 1.00 0.00 H new ATOM 126 P DG A 5 19.106 24.257 28.343 1.00 0.00 P ATOM 127 OP1 DG A 5 17.731 24.815 28.291 1.00 0.00 O ATOM 128 OP2 DG A 5 19.772 23.860 27.077 1.00 0.00 O ATOM 129 O5' DG A 5 20.059 25.314 29.081 1.00 0.00 O ATOM 130 C5' DG A 5 19.685 25.941 30.300 1.00 0.00 C ATOM 131 C4' DG A 5 20.834 26.787 30.860 1.00 0.00 C ATOM 132 O4' DG A 5 21.971 25.994 31.169 1.00 0.00 O ATOM 133 C3' DG A 5 21.352 27.804 29.833 1.00 0.00 C ATOM 134 O3' DG A 5 20.606 29.009 29.609 1.00 0.00 O ATOM 135 C2' DG A 5 22.800 28.019 30.275 1.00 0.00 C ATOM 136 C1' DG A 5 23.075 26.876 31.265 1.00 0.00 C ATOM 137 N9 DG A 5 24.351 26.140 31.046 1.00 0.00 N ATOM 138 C8 DG A 5 24.797 25.450 29.942 1.00 0.00 C ATOM 139 N7 DG A 5 25.972 24.887 30.098 1.00 0.00 N ATOM 140 C5 DG A 5 26.345 25.233 31.407 1.00 0.00 C ATOM 141 C6 DG A 5 27.518 24.946 32.209 1.00 0.00 C ATOM 142 O6 DG A 5 28.531 24.300 31.932 1.00 0.00 O ATOM 143 N1 DG A 5 27.471 25.494 33.478 1.00 0.00 N ATOM 144 C2 DG A 5 26.431 26.224 33.939 1.00 0.00 C ATOM 145 N2 DG A 5 26.501 26.687 35.152 1.00 0.00 N ATOM 146 N3 DG A 5 25.344 26.517 33.240 1.00 0.00 N ATOM 147 C4 DG A 5 25.350 25.995 31.982 1.00 0.00 C ATOM 0 H5' DG A 5 19.398 25.183 31.029 1.00 0.00 H new ATOM 0 H5'' DG A 5 18.811 26.572 30.135 1.00 0.00 H new ATOM 0 H4' DG A 5 20.415 27.271 31.742 1.00 0.00 H new ATOM 0 H3' DG A 5 21.239 27.404 28.825 1.00 0.00 H new ATOM 0 H2' DG A 5 23.483 27.982 29.427 1.00 0.00 H new ATOM 0 H2'' DG A 5 22.930 28.993 30.747 1.00 0.00 H new ATOM 0 H1' DG A 5 23.193 27.308 32.259 1.00 0.00 H new ATOM 0 H8 DG A 5 24.229 25.378 29.026 1.00 0.00 H new ATOM 0 H1 DG A 5 28.264 25.339 34.100 1.00 0.00 H new ATOM 0 H21 DG A 5 25.734 27.242 35.531 1.00 0.00 H new ATOM 0 H22 DG A 5 27.323 26.495 35.724 1.00 0.00 H new ATOM 159 P DT A 6 19.766 29.831 30.730 1.00 0.00 P ATOM 160 OP1 DT A 6 18.710 28.951 31.288 1.00 0.00 O ATOM 161 OP2 DT A 6 19.357 31.116 30.110 1.00 0.00 O ATOM 162 O5' DT A 6 20.841 30.175 31.872 1.00 0.00 O ATOM 163 C5' DT A 6 20.658 29.821 33.238 1.00 0.00 C ATOM 164 C4' DT A 6 21.829 30.342 34.073 1.00 0.00 C ATOM 165 O4' DT A 6 23.035 29.764 33.611 1.00 0.00 O ATOM 166 C3' DT A 6 22.004 31.868 34.004 1.00 0.00 C ATOM 167 O3' DT A 6 21.590 32.456 35.233 1.00 0.00 O ATOM 168 C2' DT A 6 23.497 32.035 33.702 1.00 0.00 C ATOM 169 C1' DT A 6 24.086 30.647 33.938 1.00 0.00 C ATOM 170 N1 DT A 6 25.265 30.272 33.112 1.00 0.00 N ATOM 171 C2 DT A 6 26.405 29.795 33.773 1.00 0.00 C ATOM 172 O2 DT A 6 26.631 29.961 34.971 1.00 0.00 O ATOM 173 N3 DT A 6 27.323 29.119 33.003 1.00 0.00 N ATOM 174 C4 DT A 6 27.204 28.856 31.660 1.00 0.00 C ATOM 175 O4 DT A 6 28.010 28.090 31.136 1.00 0.00 O ATOM 176 C5 DT A 6 26.093 29.538 31.000 1.00 0.00 C ATOM 177 C7 DT A 6 25.947 29.462 29.489 1.00 0.00 C ATOM 178 C6 DT A 6 25.173 30.219 31.733 1.00 0.00 C ATOM 0 H5' DT A 6 20.584 28.738 33.335 1.00 0.00 H new ATOM 0 H5'' DT A 6 19.722 30.239 33.609 1.00 0.00 H new ATOM 0 H4' DT A 6 21.604 30.069 35.104 1.00 0.00 H new ATOM 0 H3' DT A 6 21.398 32.368 33.248 1.00 0.00 H new ATOM 0 H2' DT A 6 23.661 32.368 32.677 1.00 0.00 H new ATOM 0 H2'' DT A 6 23.955 32.778 34.355 1.00 0.00 H new ATOM 0 H1' DT A 6 24.454 30.613 34.963 1.00 0.00 H new ATOM 0 H3 DT A 6 28.166 28.784 33.470 1.00 0.00 H new ATOM 0 H71 DT A 6 24.892 29.526 29.222 1.00 0.00 H new ATOM 0 H72 DT A 6 26.489 30.288 29.029 1.00 0.00 H new ATOM 0 H73 DT A 6 26.355 28.517 29.131 1.00 0.00 H new ATOM 0 H6 DT A 6 24.360 30.725 31.233 1.00 0.00 H new ATOM 191 P DA A 7 21.345 34.047 35.395 1.00 0.00 P ATOM 192 OP1 DA A 7 20.406 34.253 36.525 1.00 0.00 O ATOM 193 OP2 DA A 7 21.005 34.629 34.072 1.00 0.00 O ATOM 194 O5' DA A 7 22.793 34.598 35.830 1.00 0.00 O ATOM 195 C5' DA A 7 23.333 34.263 37.101 1.00 0.00 C ATOM 196 C4' DA A 7 24.845 34.490 37.188 1.00 0.00 C ATOM 197 O4' DA A 7 25.522 33.686 36.233 1.00 0.00 O ATOM 198 C3' DA A 7 25.299 35.943 36.991 1.00 0.00 C ATOM 199 O3' DA A 7 25.971 36.368 38.173 1.00 0.00 O ATOM 200 C2' DA A 7 26.205 35.841 35.761 1.00 0.00 C ATOM 201 C1' DA A 7 26.659 34.382 35.771 1.00 0.00 C ATOM 202 N9 DA A 7 26.992 33.842 34.432 1.00 0.00 N ATOM 203 C8 DA A 7 26.209 33.878 33.303 1.00 0.00 C ATOM 204 N7 DA A 7 26.679 33.198 32.292 1.00 0.00 N ATOM 205 C5 DA A 7 27.895 32.705 32.792 1.00 0.00 C ATOM 206 C6 DA A 7 28.934 31.908 32.257 1.00 0.00 C ATOM 207 N6 DA A 7 28.930 31.398 31.041 1.00 0.00 N ATOM 208 N1 DA A 7 30.010 31.589 32.977 1.00 0.00 N ATOM 209 C2 DA A 7 30.072 32.049 34.220 1.00 0.00 C ATOM 210 N3 DA A 7 29.181 32.792 34.871 1.00 0.00 N ATOM 211 C4 DA A 7 28.100 33.093 34.090 1.00 0.00 C ATOM 0 H5' DA A 7 23.115 33.217 37.318 1.00 0.00 H new ATOM 0 H5'' DA A 7 22.837 34.858 37.868 1.00 0.00 H new ATOM 0 H4' DA A 7 25.101 34.213 38.211 1.00 0.00 H new ATOM 0 H3' DA A 7 24.510 36.678 36.832 1.00 0.00 H new ATOM 0 H2' DA A 7 25.668 36.088 34.845 1.00 0.00 H new ATOM 0 H2'' DA A 7 27.051 36.525 35.828 1.00 0.00 H new ATOM 0 H1' DA A 7 27.563 34.282 36.371 1.00 0.00 H new ATOM 0 H8 DA A 7 25.279 34.425 33.256 1.00 0.00 H new ATOM 0 H61 DA A 7 29.716 30.831 30.723 1.00 0.00 H new ATOM 0 H62 DA A 7 28.141 31.570 30.418 1.00 0.00 H new ATOM 0 H2 DA A 7 30.961 31.786 34.775 1.00 0.00 H new ATOM 223 P DC A 8 26.427 37.895 38.421 1.00 0.00 P ATOM 224 OP1 DC A 8 26.515 38.114 39.888 1.00 0.00 O ATOM 225 OP2 DC A 8 25.567 38.799 37.615 1.00 0.00 O ATOM 226 O5' DC A 8 27.914 37.930 37.809 1.00 0.00 O ATOM 227 C5' DC A 8 28.959 37.184 38.418 1.00 0.00 C ATOM 228 C4' DC A 8 30.227 37.115 37.560 1.00 0.00 C ATOM 229 O4' DC A 8 29.977 36.384 36.364 1.00 0.00 O ATOM 230 C3' DC A 8 30.787 38.491 37.164 1.00 0.00 C ATOM 231 O3' DC A 8 32.137 38.611 37.607 1.00 0.00 O ATOM 232 C2' DC A 8 30.633 38.463 35.641 1.00 0.00 C ATOM 233 C1' DC A 8 30.736 36.965 35.324 1.00 0.00 C ATOM 234 N1 DC A 8 30.153 36.520 34.021 1.00 0.00 N ATOM 235 C2 DC A 8 30.866 35.629 33.197 1.00 0.00 C ATOM 236 O2 DC A 8 32.009 35.246 33.460 1.00 0.00 O ATOM 237 N3 DC A 8 30.318 35.154 32.047 1.00 0.00 N ATOM 238 C4 DC A 8 29.093 35.530 31.740 1.00 0.00 C ATOM 239 N4 DC A 8 28.599 35.048 30.639 1.00 0.00 N ATOM 240 C5 DC A 8 28.310 36.400 32.539 1.00 0.00 C ATOM 241 C6 DC A 8 28.876 36.885 33.671 1.00 0.00 C ATOM 0 H5' DC A 8 28.607 36.172 38.617 1.00 0.00 H new ATOM 0 H5'' DC A 8 29.203 37.632 39.381 1.00 0.00 H new ATOM 0 H4' DC A 8 30.970 36.619 38.185 1.00 0.00 H new ATOM 0 H3' DC A 8 30.286 39.352 37.607 1.00 0.00 H new ATOM 0 H2' DC A 8 29.678 38.881 35.322 1.00 0.00 H new ATOM 0 H2'' DC A 8 31.414 39.038 35.144 1.00 0.00 H new ATOM 0 H1' DC A 8 31.786 36.683 35.249 1.00 0.00 H new ATOM 0 H41 DC A 8 27.655 35.303 30.349 1.00 0.00 H new ATOM 0 H42 DC A 8 29.155 34.415 30.065 1.00 0.00 H new ATOM 0 H5 DC A 8 27.302 36.666 32.257 1.00 0.00 H new ATOM 0 H6 DC A 8 28.320 37.563 34.302 1.00 0.00 H new ATOM 253 P DA A 9 32.915 40.028 37.647 1.00 0.00 P ATOM 254 OP1 DA A 9 33.995 39.930 38.663 1.00 0.00 O ATOM 255 OP2 DA A 9 31.924 41.126 37.768 1.00 0.00 O ATOM 256 O5' DA A 9 33.590 40.118 36.187 1.00 0.00 O ATOM 257 C5' DA A 9 34.693 39.286 35.846 1.00 0.00 C ATOM 258 C4' DA A 9 34.759 38.965 34.348 1.00 0.00 C ATOM 259 O4' DA A 9 33.544 38.378 33.897 1.00 0.00 O ATOM 260 C3' DA A 9 34.972 40.170 33.426 1.00 0.00 C ATOM 261 O3' DA A 9 36.347 40.515 33.288 1.00 0.00 O ATOM 262 C2' DA A 9 34.388 39.649 32.111 1.00 0.00 C ATOM 263 C1' DA A 9 33.618 38.393 32.490 1.00 0.00 C ATOM 264 N9 DA A 9 32.313 38.340 31.811 1.00 0.00 N ATOM 265 C8 DA A 9 31.166 39.054 32.062 1.00 0.00 C ATOM 266 N7 DA A 9 30.205 38.836 31.201 1.00 0.00 N ATOM 267 C5 DA A 9 30.791 37.935 30.293 1.00 0.00 C ATOM 268 C6 DA A 9 30.376 37.284 29.105 1.00 0.00 C ATOM 269 N6 DA A 9 29.192 37.394 28.535 1.00 0.00 N ATOM 270 N1 DA A 9 31.201 36.479 28.437 1.00 0.00 N ATOM 271 C2 DA A 9 32.419 36.288 28.921 1.00 0.00 C ATOM 272 N3 DA A 9 32.951 36.807 30.018 1.00 0.00 N ATOM 273 C4 DA A 9 32.073 37.632 30.661 1.00 0.00 C ATOM 0 H5' DA A 9 34.627 38.355 36.409 1.00 0.00 H new ATOM 0 H5'' DA A 9 35.618 39.776 36.148 1.00 0.00 H new ATOM 0 H4' DA A 9 35.621 38.302 34.282 1.00 0.00 H new ATOM 0 H3' DA A 9 34.511 41.087 33.793 1.00 0.00 H new ATOM 0 H2' DA A 9 33.734 40.389 31.650 1.00 0.00 H new ATOM 0 H2'' DA A 9 35.175 39.427 31.391 1.00 0.00 H new ATOM 0 H1' DA A 9 34.122 37.486 32.155 1.00 0.00 H new ATOM 0 H8 DA A 9 31.067 39.734 32.895 1.00 0.00 H new ATOM 0 H61 DA A 9 28.990 36.882 27.676 1.00 0.00 H new ATOM 0 H62 DA A 9 28.478 37.991 28.953 1.00 0.00 H new ATOM 0 H2 DA A 9 33.057 35.628 28.352 1.00 0.00 H new ATOM 285 P DT A 10 36.831 41.752 32.364 1.00 0.00 P ATOM 286 OP1 DT A 10 38.258 42.017 32.678 1.00 0.00 O ATOM 287 OP2 DT A 10 35.852 42.858 32.512 1.00 0.00 O ATOM 288 O5' DT A 10 36.731 41.188 30.852 1.00 0.00 O ATOM 289 C5' DT A 10 37.607 40.172 30.373 1.00 0.00 C ATOM 290 C4' DT A 10 37.278 39.707 28.944 1.00 0.00 C ATOM 291 O4' DT A 10 36.035 39.018 28.847 1.00 0.00 O ATOM 292 C3' DT A 10 37.127 40.850 27.942 1.00 0.00 C ATOM 293 O3' DT A 10 38.361 41.426 27.541 1.00 0.00 O ATOM 294 C2' DT A 10 36.474 40.103 26.786 1.00 0.00 C ATOM 295 C1' DT A 10 35.638 39.022 27.477 1.00 0.00 C ATOM 296 N1 DT A 10 34.180 39.262 27.314 1.00 0.00 N ATOM 297 C2 DT A 10 33.557 38.730 26.177 1.00 0.00 C ATOM 298 O2 DT A 10 34.157 38.130 25.284 1.00 0.00 O ATOM 299 N3 DT A 10 32.203 38.928 26.063 1.00 0.00 N ATOM 300 C4 DT A 10 31.424 39.657 26.930 1.00 0.00 C ATOM 301 O4 DT A 10 30.217 39.726 26.708 1.00 0.00 O ATOM 302 C5 DT A 10 32.150 40.277 28.040 1.00 0.00 C ATOM 303 C7 DT A 10 31.421 41.161 29.038 1.00 0.00 C ATOM 304 C6 DT A 10 33.482 40.056 28.202 1.00 0.00 C ATOM 0 H5' DT A 10 37.561 39.316 31.046 1.00 0.00 H new ATOM 0 H5'' DT A 10 38.631 40.543 30.400 1.00 0.00 H new ATOM 0 H4' DT A 10 38.131 39.069 28.713 1.00 0.00 H new ATOM 0 H3' DT A 10 36.575 41.703 28.337 1.00 0.00 H new ATOM 0 H2' DT A 10 35.853 40.764 26.182 1.00 0.00 H new ATOM 0 H2'' DT A 10 37.218 39.668 26.119 1.00 0.00 H new ATOM 0 H1' DT A 10 35.815 38.046 27.026 1.00 0.00 H new ATOM 0 H3 DT A 10 31.735 38.497 25.266 1.00 0.00 H new ATOM 0 H71 DT A 10 31.912 41.095 30.009 1.00 0.00 H new ATOM 0 H72 DT A 10 31.441 42.194 28.691 1.00 0.00 H new ATOM 0 H73 DT A 10 30.387 40.829 29.131 1.00 0.00 H new ATOM 0 H6 DT A 10 34.000 40.507 29.035 1.00 0.00 H new ATOM 317 P DC A 11 38.446 42.982 27.137 1.00 0.00 P ATOM 318 OP1 DC A 11 39.839 43.267 26.705 1.00 0.00 O ATOM 319 OP2 DC A 11 37.860 43.792 28.233 1.00 0.00 O ATOM 320 O5' DC A 11 37.466 43.088 25.861 1.00 0.00 O ATOM 321 C5' DC A 11 37.871 42.686 24.557 1.00 0.00 C ATOM 322 C4' DC A 11 36.729 42.792 23.530 1.00 0.00 C ATOM 323 O4' DC A 11 35.681 41.861 23.791 1.00 0.00 O ATOM 324 C3' DC A 11 36.005 44.144 23.559 1.00 0.00 C ATOM 325 O3' DC A 11 36.668 45.316 23.070 1.00 0.00 O ATOM 326 C2' DC A 11 34.696 43.798 22.859 1.00 0.00 C ATOM 327 C1' DC A 11 34.532 42.285 23.066 1.00 0.00 C ATOM 328 N1 DC A 11 33.255 42.011 23.785 1.00 0.00 N ATOM 329 C2 DC A 11 32.147 41.546 23.055 1.00 0.00 C ATOM 330 O2 DC A 11 32.257 41.040 21.935 1.00 0.00 O ATOM 331 N3 DC A 11 30.892 41.654 23.551 1.00 0.00 N ATOM 332 C4 DC A 11 30.738 42.206 24.736 1.00 0.00 C ATOM 333 N4 DC A 11 29.513 42.339 25.151 1.00 0.00 N ATOM 334 C5 DC A 11 31.819 42.631 25.555 1.00 0.00 C ATOM 335 C6 DC A 11 33.072 42.500 25.055 1.00 0.00 C ATOM 0 H5' DC A 11 38.231 41.658 24.592 1.00 0.00 H new ATOM 0 H5'' DC A 11 38.707 43.305 24.232 1.00 0.00 H new ATOM 0 H4' DC A 11 37.237 42.618 22.581 1.00 0.00 H new ATOM 0 H3' DC A 11 35.910 44.507 24.583 1.00 0.00 H new ATOM 0 H2' DC A 11 33.859 44.349 23.288 1.00 0.00 H new ATOM 0 H2'' DC A 11 34.734 44.051 21.799 1.00 0.00 H new ATOM 0 H1' DC A 11 34.469 41.734 22.128 1.00 0.00 H new ATOM 0 H41 DC A 11 29.326 42.759 26.061 1.00 0.00 H new ATOM 0 H42 DC A 11 28.739 42.023 24.566 1.00 0.00 H new ATOM 0 H5 DC A 11 31.648 43.043 26.539 1.00 0.00 H new ATOM 0 H6 DC A 11 33.925 42.780 25.655 1.00 0.00 H new ATOM 347 P DG A 12 37.446 45.469 21.654 1.00 0.00 P ATOM 348 OP1 DG A 12 38.530 44.458 21.600 1.00 0.00 O ATOM 349 OP2 DG A 12 37.817 46.901 21.534 1.00 0.00 O ATOM 350 O5' DG A 12 36.377 45.165 20.480 1.00 0.00 O ATOM 351 C5' DG A 12 36.471 44.018 19.640 1.00 0.00 C ATOM 352 C4' DG A 12 35.268 43.854 18.692 1.00 0.00 C ATOM 353 O4' DG A 12 34.101 43.456 19.415 1.00 0.00 O ATOM 354 C3' DG A 12 34.910 45.135 17.912 1.00 0.00 C ATOM 355 O3' DG A 12 34.553 44.845 16.561 1.00 0.00 O ATOM 356 C2' DG A 12 33.691 45.630 18.685 1.00 0.00 C ATOM 357 C1' DG A 12 33.022 44.301 19.039 1.00 0.00 C ATOM 358 N9 DG A 12 32.013 44.410 20.124 1.00 0.00 N ATOM 359 C8 DG A 12 32.091 45.114 21.301 1.00 0.00 C ATOM 360 N7 DG A 12 31.032 45.018 22.063 1.00 0.00 N ATOM 361 C5 DG A 12 30.161 44.215 21.311 1.00 0.00 C ATOM 362 C6 DG A 12 28.812 43.776 21.563 1.00 0.00 C ATOM 363 O6 DG A 12 28.088 43.984 22.537 1.00 0.00 O ATOM 364 N1 DG A 12 28.269 43.037 20.531 1.00 0.00 N ATOM 365 C2 DG A 12 28.931 42.741 19.387 1.00 0.00 C ATOM 366 N2 DG A 12 28.264 42.088 18.473 1.00 0.00 N ATOM 367 N3 DG A 12 30.181 43.112 19.111 1.00 0.00 N ATOM 368 C4 DG A 12 30.750 43.851 20.116 1.00 0.00 C ATOM 0 H5' DG A 12 36.558 43.127 20.262 1.00 0.00 H new ATOM 0 H5'' DG A 12 37.384 44.084 19.048 1.00 0.00 H new ATOM 0 H4' DG A 12 35.578 43.090 17.979 1.00 0.00 H new ATOM 0 H3' DG A 12 35.731 45.849 17.846 1.00 0.00 H new ATOM 0 H2' DG A 12 33.967 46.203 19.570 1.00 0.00 H new ATOM 0 H2'' DG A 12 33.048 46.269 18.079 1.00 0.00 H new ATOM 0 HO3' DG A 12 34.330 45.678 16.095 1.00 0.00 H new ATOM 0 H1' DG A 12 32.450 43.916 18.195 1.00 0.00 H new ATOM 0 H8 DG A 12 32.956 45.699 21.575 1.00 0.00 H new ATOM 0 H1 DG A 12 27.314 42.694 20.636 1.00 0.00 H new ATOM 0 H21 DG A 12 28.715 41.840 17.592 1.00 0.00 H new ATOM 0 H22 DG A 12 27.292 41.826 18.640 1.00 0.00 H new TER 381 DG A 12 HETATM 382 N1 DCZ B 13 23.525 41.102 20.181 1.00 0.00 N HETATM 383 C2 DCZ B 13 24.823 41.609 20.012 1.00 0.00 C HETATM 384 N3 DCZ B 13 25.483 42.184 21.047 1.00 0.00 N HETATM 385 C4 DCZ B 13 24.882 42.233 22.221 1.00 0.00 C HETATM 386 C5 DCZ B 13 23.593 41.694 22.471 1.00 0.00 C HETATM 387 C6 DCZ B 13 22.940 41.131 21.425 1.00 0.00 C HETATM 388 O2 DCZ B 13 25.420 41.559 18.934 1.00 0.00 O HETATM 389 N4 DCZ B 13 25.533 42.839 23.169 1.00 0.00 N HETATM 390 C1' DCZ B 13 22.778 40.550 19.013 1.00 0.00 C HETATM 391 C2' DCZ B 13 22.591 39.038 19.123 1.00 0.00 C HETATM 392 C3' DCZ B 13 21.323 38.799 18.308 1.00 0.00 C HETATM 393 C4' DCZ B 13 20.534 40.092 18.560 1.00 0.00 C HETATM 394 O4' DCZ B 13 21.465 41.096 18.965 1.00 0.00 O HETATM 395 O3' DCZ B 13 21.627 38.627 16.929 1.00 0.00 O HETATM 396 C5' DCZ B 13 19.408 39.931 19.605 1.00 0.00 C HETATM 397 O5' DCZ B 13 19.828 39.395 20.862 1.00 0.00 O HETATM 0 HO51 DCZ B 13 19.057 39.328 21.463 1.00 0.00 H new HETATM 0 HN42 DCZ B 13 25.125 42.913 24.101 1.00 0.00 H new HETATM 0 HN41 DCZ B 13 26.451 43.241 22.981 1.00 0.00 H new HETATM 0 H5'2 DCZ B 13 18.949 40.905 19.776 1.00 0.00 H new HETATM 0 H5'1 DCZ B 13 18.636 39.283 19.190 1.00 0.00 H new HETATM 0 H2'2 DCZ B 13 23.443 38.494 18.716 1.00 0.00 H new HETATM 0 H2'1 DCZ B 13 22.474 38.718 20.158 1.00 0.00 H new HETATM 0 H6 DCZ B 13 21.949 40.700 21.570 1.00 0.00 H new HETATM 0 H5 DCZ B 13 23.146 41.731 23.464 1.00 0.00 H new HETATM 0 H4' DCZ B 13 20.027 40.374 17.637 1.00 0.00 H new HETATM 0 H3' DCZ B 13 20.778 37.897 18.587 1.00 0.00 H new HETATM 0 H1' DCZ B 13 23.364 40.804 18.130 1.00 0.00 H new ATOM 410 P DG B 14 21.650 37.154 16.278 1.00 0.00 P ATOM 411 OP1 DG B 14 21.984 37.285 14.837 1.00 0.00 O ATOM 412 OP2 DG B 14 20.403 36.450 16.665 1.00 0.00 O ATOM 413 O5' DG B 14 22.883 36.465 17.054 1.00 0.00 O ATOM 414 C5' DG B 14 24.216 36.517 16.561 1.00 0.00 C ATOM 415 C4' DG B 14 25.258 36.110 17.617 1.00 0.00 C ATOM 416 O4' DG B 14 25.602 37.211 18.460 1.00 0.00 O ATOM 417 C3' DG B 14 24.808 34.954 18.537 1.00 0.00 C ATOM 418 O3' DG B 14 25.781 33.929 18.631 1.00 0.00 O ATOM 419 C2' DG B 14 24.704 35.665 19.879 1.00 0.00 C ATOM 420 C1' DG B 14 25.847 36.672 19.745 1.00 0.00 C ATOM 421 N9 DG B 14 25.888 37.685 20.834 1.00 0.00 N ATOM 422 C8 DG B 14 24.967 37.916 21.831 1.00 0.00 C ATOM 423 N7 DG B 14 25.355 38.767 22.743 1.00 0.00 N ATOM 424 C5 DG B 14 26.638 39.138 22.319 1.00 0.00 C ATOM 425 C6 DG B 14 27.617 40.012 22.911 1.00 0.00 C ATOM 426 O6 DG B 14 27.558 40.655 23.958 1.00 0.00 O ATOM 427 N1 DG B 14 28.786 40.107 22.187 1.00 0.00 N ATOM 428 C2 DG B 14 29.008 39.445 21.028 1.00 0.00 C ATOM 429 N2 DG B 14 30.176 39.619 20.470 1.00 0.00 N ATOM 430 N3 DG B 14 28.144 38.612 20.449 1.00 0.00 N ATOM 431 C4 DG B 14 26.964 38.498 21.140 1.00 0.00 C ATOM 0 H5' DG B 14 24.432 37.528 16.215 1.00 0.00 H new ATOM 0 H5'' DG B 14 24.305 35.859 15.697 1.00 0.00 H new ATOM 0 H4' DG B 14 26.113 35.773 17.031 1.00 0.00 H new ATOM 0 H3' DG B 14 23.900 34.463 18.186 1.00 0.00 H new ATOM 0 H2' DG B 14 23.738 36.150 20.018 1.00 0.00 H new ATOM 0 H2'' DG B 14 24.845 34.987 20.720 1.00 0.00 H new ATOM 0 H1' DG B 14 26.836 36.225 19.843 1.00 0.00 H new ATOM 0 H8 DG B 14 24.002 37.433 21.857 1.00 0.00 H new ATOM 0 H1 DG B 14 29.526 40.711 22.545 1.00 0.00 H new ATOM 0 H21 DG B 14 30.399 39.145 19.595 1.00 0.00 H new ATOM 0 H22 DG B 14 30.865 40.229 20.909 1.00 0.00 H new ATOM 443 P DA B 15 25.635 32.582 17.771 1.00 0.00 P ATOM 444 OP1 DA B 15 25.295 32.941 16.371 1.00 0.00 O ATOM 445 OP2 DA B 15 24.736 31.664 18.514 1.00 0.00 O ATOM 446 O5' DA B 15 27.112 31.942 17.783 1.00 0.00 O ATOM 447 C5' DA B 15 28.227 32.597 17.183 1.00 0.00 C ATOM 448 C4' DA B 15 29.212 33.182 18.211 1.00 0.00 C ATOM 449 O4' DA B 15 28.691 34.275 18.963 1.00 0.00 O ATOM 450 C3' DA B 15 29.662 32.156 19.259 1.00 0.00 C ATOM 451 O3' DA B 15 30.754 31.364 18.808 1.00 0.00 O ATOM 452 C2' DA B 15 30.039 33.058 20.433 1.00 0.00 C ATOM 453 C1' DA B 15 29.596 34.460 20.034 1.00 0.00 C ATOM 454 N9 DA B 15 29.041 35.171 21.204 1.00 0.00 N ATOM 455 C8 DA B 15 27.839 34.977 21.842 1.00 0.00 C ATOM 456 N7 DA B 15 27.687 35.691 22.929 1.00 0.00 N ATOM 457 C5 DA B 15 28.911 36.373 23.035 1.00 0.00 C ATOM 458 C6 DA B 15 29.482 37.286 23.958 1.00 0.00 C ATOM 459 N6 DA B 15 28.884 37.749 25.038 1.00 0.00 N ATOM 460 N1 DA B 15 30.718 37.760 23.791 1.00 0.00 N ATOM 461 C2 DA B 15 31.404 37.354 22.732 1.00 0.00 C ATOM 462 N3 DA B 15 31.012 36.508 21.785 1.00 0.00 N ATOM 463 C4 DA B 15 29.742 36.055 21.993 1.00 0.00 C ATOM 0 H5' DA B 15 27.866 33.399 16.539 1.00 0.00 H new ATOM 0 H5'' DA B 15 28.756 31.889 16.545 1.00 0.00 H new ATOM 0 H4' DA B 15 30.039 33.509 17.581 1.00 0.00 H new ATOM 0 H3' DA B 15 28.901 31.415 19.504 1.00 0.00 H new ATOM 0 H2' DA B 15 29.543 32.736 21.349 1.00 0.00 H new ATOM 0 H2'' DA B 15 31.112 33.026 20.623 1.00 0.00 H new ATOM 0 H1' DA B 15 30.412 35.101 19.700 1.00 0.00 H new ATOM 0 H8 DA B 15 27.085 34.295 21.478 1.00 0.00 H new ATOM 0 H61 DA B 15 29.371 38.405 25.649 1.00 0.00 H new ATOM 0 H62 DA B 15 27.935 37.451 25.263 1.00 0.00 H new ATOM 0 H2 DA B 15 32.400 37.759 22.626 1.00 0.00 H new ATOM 475 P DT B 16 31.317 30.118 19.669 1.00 0.00 P ATOM 476 OP1 DT B 16 32.243 29.349 18.799 1.00 0.00 O ATOM 477 OP2 DT B 16 30.168 29.411 20.292 1.00 0.00 O ATOM 478 O5' DT B 16 32.170 30.825 20.840 1.00 0.00 O ATOM 479 C5' DT B 16 33.358 31.557 20.550 1.00 0.00 C ATOM 480 C4' DT B 16 33.883 32.339 21.766 1.00 0.00 C ATOM 481 O4' DT B 16 32.957 33.298 22.249 1.00 0.00 O ATOM 482 C3' DT B 16 34.178 31.433 22.956 1.00 0.00 C ATOM 483 O3' DT B 16 35.443 30.815 22.762 1.00 0.00 O ATOM 484 C2' DT B 16 34.179 32.444 24.102 1.00 0.00 C ATOM 485 C1' DT B 16 33.254 33.568 23.611 1.00 0.00 C ATOM 486 N1 DT B 16 31.994 33.712 24.399 1.00 0.00 N ATOM 487 C2 DT B 16 31.992 34.647 25.440 1.00 0.00 C ATOM 488 O2 DT B 16 33.000 35.226 25.839 1.00 0.00 O ATOM 489 N3 DT B 16 30.785 34.910 26.038 1.00 0.00 N ATOM 490 C4 DT B 16 29.588 34.300 25.747 1.00 0.00 C ATOM 491 O4 DT B 16 28.574 34.691 26.326 1.00 0.00 O ATOM 492 C5 DT B 16 29.675 33.245 24.735 1.00 0.00 C ATOM 493 C7 DT B 16 28.436 32.445 24.370 1.00 0.00 C ATOM 494 C6 DT B 16 30.854 32.988 24.100 1.00 0.00 C ATOM 0 H5' DT B 16 33.162 32.252 19.733 1.00 0.00 H new ATOM 0 H5'' DT B 16 34.129 30.869 20.205 1.00 0.00 H new ATOM 0 H4' DT B 16 34.787 32.820 21.393 1.00 0.00 H new ATOM 0 H3' DT B 16 33.481 30.612 23.123 1.00 0.00 H new ATOM 0 H2' DT B 16 33.810 31.999 25.026 1.00 0.00 H new ATOM 0 H2'' DT B 16 35.184 32.815 24.306 1.00 0.00 H new ATOM 0 H1' DT B 16 33.773 34.518 23.740 1.00 0.00 H new ATOM 0 H3 DT B 16 30.775 35.624 26.766 1.00 0.00 H new ATOM 0 H71 DT B 16 28.503 32.125 23.330 1.00 0.00 H new ATOM 0 H72 DT B 16 28.365 31.569 25.015 1.00 0.00 H new ATOM 0 H73 DT B 16 27.550 33.066 24.502 1.00 0.00 H new ATOM 0 H6 DT B 16 30.898 32.209 23.354 1.00 0.00 H new ATOM 507 P DG B 17 35.681 29.248 23.038 1.00 0.00 P ATOM 508 OP1 DG B 17 36.989 28.870 22.447 1.00 0.00 O ATOM 509 OP2 DG B 17 34.471 28.482 22.652 1.00 0.00 O ATOM 510 O5' DG B 17 35.803 29.213 24.634 1.00 0.00 O ATOM 511 C5' DG B 17 36.943 29.731 25.307 1.00 0.00 C ATOM 512 C4' DG B 17 36.786 29.641 26.830 1.00 0.00 C ATOM 513 O4' DG B 17 35.776 30.546 27.267 1.00 0.00 O ATOM 514 C3' DG B 17 36.369 28.232 27.284 1.00 0.00 C ATOM 515 O3' DG B 17 36.965 27.854 28.511 1.00 0.00 O ATOM 516 C2' DG B 17 34.873 28.416 27.494 1.00 0.00 C ATOM 517 C1' DG B 17 34.819 29.846 28.040 1.00 0.00 C ATOM 518 N9 DG B 17 33.499 30.523 27.921 1.00 0.00 N ATOM 519 C8 DG B 17 32.542 30.400 26.940 1.00 0.00 C ATOM 520 N7 DG B 17 31.498 31.173 27.100 1.00 0.00 N ATOM 521 C5 DG B 17 31.774 31.856 28.292 1.00 0.00 C ATOM 522 C6 DG B 17 31.025 32.842 29.035 1.00 0.00 C ATOM 523 O6 DG B 17 29.922 33.328 28.796 1.00 0.00 O ATOM 524 N1 DG B 17 31.657 33.279 30.182 1.00 0.00 N ATOM 525 C2 DG B 17 32.860 32.826 30.587 1.00 0.00 C ATOM 526 N2 DG B 17 33.330 33.302 31.704 1.00 0.00 N ATOM 527 N3 DG B 17 33.596 31.933 29.931 1.00 0.00 N ATOM 528 C4 DG B 17 32.999 31.471 28.791 1.00 0.00 C ATOM 0 H5' DG B 17 37.097 30.770 25.017 1.00 0.00 H new ATOM 0 H5'' DG B 17 37.831 29.179 24.998 1.00 0.00 H new ATOM 0 H4' DG B 17 37.756 29.887 27.262 1.00 0.00 H new ATOM 0 H3' DG B 17 36.661 27.460 26.572 1.00 0.00 H new ATOM 0 H2' DG B 17 34.312 28.309 26.566 1.00 0.00 H new ATOM 0 H2'' DG B 17 34.465 27.691 28.199 1.00 0.00 H new ATOM 0 H1' DG B 17 35.011 29.829 29.113 1.00 0.00 H new ATOM 0 H8 DG B 17 32.644 29.721 26.106 1.00 0.00 H new ATOM 0 H1 DG B 17 31.189 33.982 30.753 1.00 0.00 H new ATOM 0 H21 DG B 17 34.237 32.989 32.050 1.00 0.00 H new ATOM 0 H22 DG B 17 32.791 33.988 32.233 1.00 0.00 H new ATOM 540 P DT B 18 38.426 27.188 28.563 1.00 0.00 P ATOM 541 OP1 DT B 18 39.315 27.862 27.583 1.00 0.00 O ATOM 542 OP2 DT B 18 38.269 25.714 28.501 1.00 0.00 O ATOM 543 O5' DT B 18 38.913 27.580 30.043 1.00 0.00 O ATOM 544 C5' DT B 18 39.029 28.940 30.450 1.00 0.00 C ATOM 545 C4' DT B 18 38.044 29.309 31.570 1.00 0.00 C ATOM 546 O4' DT B 18 36.689 29.395 31.148 1.00 0.00 O ATOM 547 C3' DT B 18 38.083 28.357 32.776 1.00 0.00 C ATOM 548 O3' DT B 18 38.637 29.057 33.886 1.00 0.00 O ATOM 549 C2' DT B 18 36.605 27.981 32.957 1.00 0.00 C ATOM 550 C1' DT B 18 35.898 29.162 32.299 1.00 0.00 C ATOM 551 N1 DT B 18 34.462 28.979 31.932 1.00 0.00 N ATOM 552 C2 DT B 18 33.530 29.882 32.465 1.00 0.00 C ATOM 553 O2 DT B 18 33.762 30.648 33.397 1.00 0.00 O ATOM 554 N3 DT B 18 32.275 29.892 31.905 1.00 0.00 N ATOM 555 C4 DT B 18 31.868 29.102 30.860 1.00 0.00 C ATOM 556 O4 DT B 18 30.785 29.343 30.332 1.00 0.00 O ATOM 557 C5 DT B 18 32.805 28.041 30.492 1.00 0.00 C ATOM 558 C7 DT B 18 32.370 26.965 29.509 1.00 0.00 C ATOM 559 C6 DT B 18 34.061 28.017 31.023 1.00 0.00 C ATOM 0 H5' DT B 18 38.856 29.588 29.591 1.00 0.00 H new ATOM 0 H5'' DT B 18 40.047 29.128 30.791 1.00 0.00 H new ATOM 0 H4' DT B 18 38.398 30.296 31.868 1.00 0.00 H new ATOM 0 H3' DT B 18 38.699 27.466 32.660 1.00 0.00 H new ATOM 0 H2' DT B 18 36.361 27.036 32.471 1.00 0.00 H new ATOM 0 H2'' DT B 18 36.335 27.877 34.008 1.00 0.00 H new ATOM 0 H1' DT B 18 35.830 29.988 33.007 1.00 0.00 H new ATOM 0 H3 DT B 18 31.591 30.539 32.298 1.00 0.00 H new ATOM 0 H71 DT B 18 31.295 26.806 29.596 1.00 0.00 H new ATOM 0 H72 DT B 18 32.609 27.281 28.494 1.00 0.00 H new ATOM 0 H73 DT B 18 32.893 26.035 29.732 1.00 0.00 H new ATOM 0 H6 DT B 18 34.750 27.238 30.730 1.00 0.00 H new ATOM 572 P DA B 19 39.385 28.297 35.101 1.00 0.00 P ATOM 573 OP1 DA B 19 40.318 29.261 35.736 1.00 0.00 O ATOM 574 OP2 DA B 19 39.925 27.001 34.616 1.00 0.00 O ATOM 575 O5' DA B 19 38.186 27.986 36.126 1.00 0.00 O ATOM 576 C5' DA B 19 37.658 29.021 36.945 1.00 0.00 C ATOM 577 C4' DA B 19 36.244 28.724 37.446 1.00 0.00 C ATOM 578 O4' DA B 19 35.333 28.621 36.364 1.00 0.00 O ATOM 579 C3' DA B 19 36.091 27.463 38.308 1.00 0.00 C ATOM 580 O3' DA B 19 35.848 27.875 39.651 1.00 0.00 O ATOM 581 C2' DA B 19 34.913 26.749 37.632 1.00 0.00 C ATOM 582 C1' DA B 19 34.242 27.852 36.812 1.00 0.00 C ATOM 583 N9 DA B 19 33.500 27.368 35.627 1.00 0.00 N ATOM 584 C8 DA B 19 33.931 26.488 34.662 1.00 0.00 C ATOM 585 N7 DA B 19 33.081 26.290 33.690 1.00 0.00 N ATOM 586 C5 DA B 19 31.999 27.104 34.058 1.00 0.00 C ATOM 587 C6 DA B 19 30.732 27.383 33.495 1.00 0.00 C ATOM 588 N6 DA B 19 30.280 26.860 32.374 1.00 0.00 N ATOM 589 N1 DA B 19 29.885 28.232 34.073 1.00 0.00 N ATOM 590 C2 DA B 19 30.259 28.802 35.207 1.00 0.00 C ATOM 591 N3 DA B 19 31.404 28.644 35.866 1.00 0.00 N ATOM 592 C4 DA B 19 32.242 27.770 35.230 1.00 0.00 C ATOM 0 H5' DA B 19 37.649 29.954 36.381 1.00 0.00 H new ATOM 0 H5'' DA B 19 38.317 29.171 37.800 1.00 0.00 H new ATOM 0 H4' DA B 19 36.022 29.575 38.090 1.00 0.00 H new ATOM 0 H3' DA B 19 36.954 26.799 38.370 1.00 0.00 H new ATOM 0 H2' DA B 19 35.252 25.929 36.999 1.00 0.00 H new ATOM 0 H2'' DA B 19 34.229 26.323 38.366 1.00 0.00 H new ATOM 0 H1' DA B 19 33.502 28.374 37.418 1.00 0.00 H new ATOM 0 H8 DA B 19 34.894 26.000 34.704 1.00 0.00 H new ATOM 0 H61 DA B 19 29.353 27.111 32.032 1.00 0.00 H new ATOM 0 H62 DA B 19 30.857 26.204 31.848 1.00 0.00 H new ATOM 0 H2 DA B 19 29.546 29.480 35.653 1.00 0.00 H new ATOM 604 P DC B 20 35.702 26.842 40.882 1.00 0.00 P ATOM 605 OP1 DC B 20 36.051 27.566 42.130 1.00 0.00 O ATOM 606 OP2 DC B 20 36.427 25.588 40.554 1.00 0.00 O ATOM 607 O5' DC B 20 34.123 26.530 40.894 1.00 0.00 O ATOM 608 C5' DC B 20 33.180 27.560 41.176 1.00 0.00 C ATOM 609 C4' DC B 20 31.758 27.204 40.716 1.00 0.00 C ATOM 610 O4' DC B 20 31.716 26.981 39.310 1.00 0.00 O ATOM 611 C3' DC B 20 31.191 25.938 41.382 1.00 0.00 C ATOM 612 O3' DC B 20 30.298 26.252 42.450 1.00 0.00 O ATOM 613 C2' DC B 20 30.480 25.241 40.220 1.00 0.00 C ATOM 614 C1' DC B 20 30.552 26.222 39.056 1.00 0.00 C ATOM 615 N1 DC B 20 30.596 25.551 37.725 1.00 0.00 N ATOM 616 C2 DC B 20 29.505 25.657 36.847 1.00 0.00 C ATOM 617 O2 DC B 20 28.470 26.246 37.158 1.00 0.00 O ATOM 618 N3 DC B 20 29.552 25.109 35.604 1.00 0.00 N ATOM 619 C4 DC B 20 30.638 24.443 35.263 1.00 0.00 C ATOM 620 N4 DC B 20 30.678 23.998 34.040 1.00 0.00 N ATOM 621 C5 DC B 20 31.754 24.259 36.124 1.00 0.00 C ATOM 622 C6 DC B 20 31.698 24.823 37.354 1.00 0.00 C ATOM 0 H5' DC B 20 33.496 28.481 40.686 1.00 0.00 H new ATOM 0 H5'' DC B 20 33.172 27.756 42.248 1.00 0.00 H new ATOM 0 H4' DC B 20 31.153 28.062 41.009 1.00 0.00 H new ATOM 0 H3' DC B 20 31.954 25.317 41.851 1.00 0.00 H new ATOM 0 H2' DC B 20 30.967 24.298 39.970 1.00 0.00 H new ATOM 0 H2'' DC B 20 29.446 25.008 40.475 1.00 0.00 H new ATOM 0 H1' DC B 20 29.656 26.840 38.999 1.00 0.00 H new ATOM 0 H41 DC B 20 31.491 23.475 33.714 1.00 0.00 H new ATOM 0 H42 DC B 20 29.897 24.172 33.408 1.00 0.00 H new ATOM 0 H5 DC B 20 32.616 23.690 35.809 1.00 0.00 H new ATOM 0 H6 DC B 20 32.521 24.700 38.043 1.00 0.00 H new ATOM 634 P DA B 21 29.758 25.125 43.485 1.00 0.00 P ATOM 635 OP1 DA B 21 29.175 25.829 44.655 1.00 0.00 O ATOM 636 OP2 DA B 21 30.844 24.141 43.722 1.00 0.00 O ATOM 637 O5' DA B 21 28.563 24.369 42.699 1.00 0.00 O ATOM 638 C5' DA B 21 27.315 25.013 42.457 1.00 0.00 C ATOM 639 C4' DA B 21 26.482 24.349 41.346 1.00 0.00 C ATOM 640 O4' DA B 21 27.191 24.325 40.117 1.00 0.00 O ATOM 641 C3' DA B 21 26.086 22.889 41.587 1.00 0.00 C ATOM 642 O3' DA B 21 24.905 22.782 42.379 1.00 0.00 O ATOM 643 C2' DA B 21 25.858 22.388 40.156 1.00 0.00 C ATOM 644 C1' DA B 21 26.522 23.429 39.260 1.00 0.00 C ATOM 645 N9 DA B 21 27.425 22.867 38.234 1.00 0.00 N ATOM 646 C8 DA B 21 28.680 22.327 38.385 1.00 0.00 C ATOM 647 N7 DA B 21 29.209 21.883 37.271 1.00 0.00 N ATOM 648 C5 DA B 21 28.210 22.149 36.316 1.00 0.00 C ATOM 649 C6 DA B 21 28.057 21.932 34.921 1.00 0.00 C ATOM 650 N6 DA B 21 28.944 21.358 34.130 1.00 0.00 N ATOM 651 N1 DA B 21 26.955 22.310 34.274 1.00 0.00 N ATOM 652 C2 DA B 21 25.998 22.896 34.978 1.00 0.00 C ATOM 653 N3 DA B 21 25.979 23.163 36.277 1.00 0.00 N ATOM 654 C4 DA B 21 27.127 22.759 36.895 1.00 0.00 C ATOM 0 H5' DA B 21 27.499 26.053 42.189 1.00 0.00 H new ATOM 0 H5'' DA B 21 26.735 25.020 43.380 1.00 0.00 H new ATOM 0 H4' DA B 21 25.584 24.967 41.331 1.00 0.00 H new ATOM 0 H3' DA B 21 26.830 22.318 42.142 1.00 0.00 H new ATOM 0 H2' DA B 21 26.299 21.402 40.009 1.00 0.00 H new ATOM 0 H2'' DA B 21 24.795 22.298 39.935 1.00 0.00 H new ATOM 0 H1' DA B 21 25.756 23.931 38.670 1.00 0.00 H new ATOM 0 H8 DA B 21 29.186 22.273 39.338 1.00 0.00 H new ATOM 0 H61 DA B 21 28.744 21.246 33.136 1.00 0.00 H new ATOM 0 H62 DA B 21 29.830 21.027 34.513 1.00 0.00 H new ATOM 0 H2 DA B 21 25.121 23.195 34.423 1.00 0.00 H new ATOM 666 P DT B 22 24.289 21.352 42.812 1.00 0.00 P ATOM 667 OP1 DT B 22 23.327 21.595 43.916 1.00 0.00 O ATOM 668 OP2 DT B 22 25.410 20.406 43.042 1.00 0.00 O ATOM 669 O5' DT B 22 23.470 20.854 41.509 1.00 0.00 O ATOM 670 C5' DT B 22 22.197 21.403 41.181 1.00 0.00 C ATOM 671 C4' DT B 22 21.595 20.847 39.882 1.00 0.00 C ATOM 672 O4' DT B 22 22.311 21.248 38.719 1.00 0.00 O ATOM 673 C3' DT B 22 21.580 19.321 39.808 1.00 0.00 C ATOM 674 O3' DT B 22 20.579 18.742 40.634 1.00 0.00 O ATOM 675 C2' DT B 22 21.270 19.153 38.324 1.00 0.00 C ATOM 676 C1' DT B 22 21.987 20.339 37.670 1.00 0.00 C ATOM 677 N1 DT B 22 23.208 19.905 36.934 1.00 0.00 N ATOM 678 C2 DT B 22 23.074 19.585 35.574 1.00 0.00 C ATOM 679 O2 DT B 22 22.019 19.697 34.948 1.00 0.00 O ATOM 680 N3 DT B 22 24.199 19.120 34.934 1.00 0.00 N ATOM 681 C4 DT B 22 25.443 18.969 35.500 1.00 0.00 C ATOM 682 O4 DT B 22 26.373 18.587 34.792 1.00 0.00 O ATOM 683 C5 DT B 22 25.510 19.285 36.927 1.00 0.00 C ATOM 684 C7 DT B 22 26.816 19.121 37.682 1.00 0.00 C ATOM 685 C6 DT B 22 24.411 19.738 37.589 1.00 0.00 C ATOM 0 H5' DT B 22 22.291 22.485 41.092 1.00 0.00 H new ATOM 0 H5'' DT B 22 21.506 21.209 42.002 1.00 0.00 H new ATOM 0 H4' DT B 22 20.584 21.253 39.905 1.00 0.00 H new ATOM 0 H3' DT B 22 22.490 18.833 40.156 1.00 0.00 H new ATOM 0 H2' DT B 22 21.639 18.201 37.942 1.00 0.00 H new ATOM 0 H2'' DT B 22 20.197 19.178 38.133 1.00 0.00 H new ATOM 0 H1' DT B 22 21.345 20.813 36.928 1.00 0.00 H new ATOM 0 H3 DT B 22 24.102 18.864 33.951 1.00 0.00 H new ATOM 0 H71 DT B 22 26.859 19.844 38.496 1.00 0.00 H new ATOM 0 H72 DT B 22 26.876 18.112 38.090 1.00 0.00 H new ATOM 0 H73 DT B 22 27.652 19.289 37.003 1.00 0.00 H new ATOM 0 H6 DT B 22 24.481 19.970 38.641 1.00 0.00 H new ATOM 698 P DC B 23 20.659 17.204 41.107 1.00 0.00 P ATOM 699 OP1 DC B 23 19.565 16.968 42.081 1.00 0.00 O ATOM 700 OP2 DC B 23 22.053 16.892 41.509 1.00 0.00 O ATOM 701 O5' DC B 23 20.335 16.373 39.768 1.00 0.00 O ATOM 702 C5' DC B 23 19.075 16.478 39.118 1.00 0.00 C ATOM 703 C4' DC B 23 18.962 15.530 37.916 1.00 0.00 C ATOM 704 O4' DC B 23 19.967 15.805 36.939 1.00 0.00 O ATOM 705 C3' DC B 23 19.094 14.062 38.347 1.00 0.00 C ATOM 706 O3' DC B 23 18.021 13.310 37.795 1.00 0.00 O ATOM 707 C2' DC B 23 20.472 13.684 37.805 1.00 0.00 C ATOM 708 C1' DC B 23 20.637 14.601 36.592 1.00 0.00 C ATOM 709 N1 DC B 23 22.069 14.891 36.280 1.00 0.00 N ATOM 710 C2 DC B 23 22.613 14.500 35.045 1.00 0.00 C ATOM 711 O2 DC B 23 21.938 13.963 34.164 1.00 0.00 O ATOM 712 N3 DC B 23 23.921 14.715 34.760 1.00 0.00 N ATOM 713 C4 DC B 23 24.665 15.324 35.661 1.00 0.00 C ATOM 714 N4 DC B 23 25.910 15.511 35.336 1.00 0.00 N ATOM 715 C5 DC B 23 24.170 15.788 36.910 1.00 0.00 C ATOM 716 C6 DC B 23 22.864 15.548 37.191 1.00 0.00 C ATOM 0 H5' DC B 23 18.925 17.505 38.784 1.00 0.00 H new ATOM 0 H5'' DC B 23 18.281 16.255 39.830 1.00 0.00 H new ATOM 0 H4' DC B 23 17.976 15.697 37.482 1.00 0.00 H new ATOM 0 H3' DC B 23 19.030 13.874 39.419 1.00 0.00 H new ATOM 0 H2' DC B 23 21.255 13.851 38.545 1.00 0.00 H new ATOM 0 H2'' DC B 23 20.519 12.632 37.523 1.00 0.00 H new ATOM 0 H1' DC B 23 20.229 14.125 35.700 1.00 0.00 H new ATOM 0 H41 DC B 23 26.543 15.976 35.987 1.00 0.00 H new ATOM 0 H42 DC B 23 26.254 15.192 34.430 1.00 0.00 H new ATOM 0 H5 DC B 23 24.808 16.311 37.608 1.00 0.00 H new ATOM 0 H6 DC B 23 22.447 15.874 38.133 1.00 0.00 H new ATOM 728 P DG B 24 17.619 11.852 38.354 1.00 0.00 P ATOM 729 OP1 DG B 24 16.212 11.581 37.966 1.00 0.00 O ATOM 730 OP2 DG B 24 18.001 11.747 39.785 1.00 0.00 O ATOM 731 O5' DG B 24 18.584 10.895 37.501 1.00 0.00 O ATOM 732 C5' DG B 24 18.363 10.693 36.111 1.00 0.00 C ATOM 733 C4' DG B 24 19.547 10.008 35.418 1.00 0.00 C ATOM 734 O4' DG B 24 20.668 10.892 35.331 1.00 0.00 O ATOM 735 C3' DG B 24 20.024 8.732 36.143 1.00 0.00 C ATOM 736 O3' DG B 24 20.226 7.653 35.230 1.00 0.00 O ATOM 737 C2' DG B 24 21.362 9.191 36.716 1.00 0.00 C ATOM 738 C1' DG B 24 21.820 10.110 35.587 1.00 0.00 C ATOM 739 N9 DG B 24 23.023 10.916 35.905 1.00 0.00 N ATOM 740 C8 DG B 24 23.385 11.521 37.086 1.00 0.00 C ATOM 741 N7 DG B 24 24.589 12.031 37.083 1.00 0.00 N ATOM 742 C5 DG B 24 25.068 11.742 35.794 1.00 0.00 C ATOM 743 C6 DG B 24 26.342 11.986 35.163 1.00 0.00 C ATOM 744 O6 DG B 24 27.356 12.515 35.624 1.00 0.00 O ATOM 745 N1 DG B 24 26.413 11.526 33.860 1.00 0.00 N ATOM 746 C2 DG B 24 25.397 10.880 33.236 1.00 0.00 C ATOM 747 N2 DG B 24 25.601 10.454 32.016 1.00 0.00 N ATOM 748 N3 DG B 24 24.217 10.609 33.783 1.00 0.00 N ATOM 749 C4 DG B 24 24.106 11.074 35.067 1.00 0.00 C ATOM 0 H5' DG B 24 18.174 11.655 35.634 1.00 0.00 H new ATOM 0 H5'' DG B 24 17.467 10.088 35.974 1.00 0.00 H new ATOM 0 H4' DG B 24 19.179 9.735 34.429 1.00 0.00 H new ATOM 0 H3' DG B 24 19.312 8.359 36.879 1.00 0.00 H new ATOM 0 H2' DG B 24 21.253 9.716 37.665 1.00 0.00 H new ATOM 0 H2'' DG B 24 22.050 8.363 36.887 1.00 0.00 H new ATOM 0 HO3' DG B 24 20.529 6.861 35.721 1.00 0.00 H new ATOM 0 H1' DG B 24 22.161 9.553 34.714 1.00 0.00 H new ATOM 0 H8 DG B 24 22.730 11.571 37.943 1.00 0.00 H new ATOM 0 H1 DG B 24 27.277 11.681 33.340 1.00 0.00 H new ATOM 0 H21 DG B 24 24.859 9.964 31.516 1.00 0.00 H new ATOM 0 H22 DG B 24 26.502 10.612 31.565 1.00 0.00 H new TER 762 DG B 24 HETATM 763 O81 9TK A 101 23.439 30.417 38.945 1.00 0.00 O HETATM 764 C81 9TK A 101 24.041 29.937 37.990 1.00 0.00 C HETATM 765 C83 9TK A 101 22.001 27.457 36.245 1.00 0.00 C HETATM 766 N81 9TK A 101 22.170 28.404 37.228 1.00 0.00 N HETATM 767 C88 9TK A 101 21.109 28.790 38.173 1.00 0.00 C HETATM 768 C82 9TK A 101 23.482 28.864 37.094 1.00 0.00 C HETATM 769 N82 9TK A 101 24.111 28.250 36.095 1.00 0.00 N HETATM 770 C84 9TK A 101 23.188 27.376 35.572 1.00 0.00 C HETATM 776 N PYB A 102 25.319 30.368 37.629 1.00 0.00 N HETATM 777 CA PYB A 102 26.102 31.328 38.267 1.00 0.00 C HETATM 778 CB1 PYB A 102 27.372 31.784 37.821 1.00 0.00 C HETATM 779 CB PYB A 102 25.790 31.973 39.433 1.00 0.00 C HETATM 780 CG1 PYB A 102 27.829 32.701 38.740 1.00 0.00 C HETATM 781 NG2 PYB A 102 26.828 32.849 39.711 1.00 0.00 N HETATM 782 CD PYB A 102 26.763 33.812 40.823 1.00 0.00 C HETATM 783 C PYB A 102 29.136 33.415 38.865 1.00 0.00 C HETATM 784 O PYB A 102 29.414 34.047 39.874 1.00 0.00 O HETATM 0 HD3 PYB A 102 25.915 34.481 40.676 1.00 0.00 H new HETATM 0 HD2 PYB A 102 26.642 33.274 41.763 1.00 0.00 H new HETATM 0 HD1 PYB A 102 27.684 34.395 40.854 1.00 0.00 H new HETATM 0 HB1 PYB A 102 27.890 31.466 36.916 1.00 0.00 H new HETATM 0 HB PYB A 102 24.892 31.825 40.032 1.00 0.00 H new HETATM 0 H PYB A 102 25.648 29.932 36.768 1.00 0.00 H new HETATM 791 N PYB A 103 30.026 33.341 37.793 1.00 0.00 N HETATM 792 CA PYB A 103 31.326 33.864 37.789 1.00 0.00 C HETATM 793 CB1 PYB A 103 32.132 34.148 36.650 1.00 0.00 C HETATM 794 CB PYB A 103 32.034 34.217 38.908 1.00 0.00 C HETATM 795 CG1 PYB A 103 33.302 34.734 37.095 1.00 0.00 C HETATM 796 NG2 PYB A 103 33.238 34.762 38.496 1.00 0.00 N HETATM 797 CD PYB A 103 34.230 35.268 39.459 1.00 0.00 C HETATM 798 C PYB A 103 34.508 35.261 36.378 1.00 0.00 C HETATM 799 O PYB A 103 35.457 35.729 36.990 1.00 0.00 O HETATM 0 HD3 PYB A 103 33.787 36.070 40.050 1.00 0.00 H new HETATM 0 HD2 PYB A 103 34.541 34.459 40.120 1.00 0.00 H new HETATM 0 HD1 PYB A 103 35.097 35.650 38.921 1.00 0.00 H new HETATM 0 HB1 PYB A 103 31.872 33.940 35.612 1.00 0.00 H new HETATM 0 HB PYB A 103 31.707 34.091 39.940 1.00 0.00 H new HETATM 0 H PYB A 103 29.561 33.123 36.912 1.00 0.00 H new HETATM 806 N PYB A 104 34.523 35.214 34.985 1.00 0.00 N HETATM 807 CA PYB A 104 35.605 35.567 34.163 1.00 0.00 C HETATM 808 CB1 PYB A 104 35.588 35.625 32.745 1.00 0.00 C HETATM 809 CB PYB A 104 36.870 35.905 34.580 1.00 0.00 C HETATM 810 CG1 PYB A 104 36.836 36.031 32.320 1.00 0.00 C HETATM 811 NG2 PYB A 104 37.628 36.202 33.457 1.00 0.00 N HETATM 812 CD PYB A 104 39.047 36.580 33.526 1.00 0.00 C HETATM 813 C PYB A 104 37.392 36.222 30.951 1.00 0.00 C HETATM 814 O PYB A 104 38.522 36.625 30.712 1.00 0.00 O HETATM 0 HD3 PYB A 104 39.154 37.484 34.125 1.00 0.00 H new HETATM 0 HD2 PYB A 104 39.617 35.772 33.984 1.00 0.00 H new HETATM 0 HD1 PYB A 104 39.424 36.764 32.520 1.00 0.00 H new HETATM 0 HB1 PYB A 104 34.738 35.390 32.104 1.00 0.00 H new HETATM 0 HB PYB A 104 37.217 35.935 35.613 1.00 0.00 H new HETATM 0 H PYB A 104 33.625 34.970 34.568 1.00 0.00 H new HETATM 821 N ABU A 105 36.563 35.866 29.914 1.00 0.00 N HETATM 822 CA ABU A 105 37.052 35.823 28.524 1.00 0.00 C HETATM 823 CB ABU A 105 36.140 35.037 27.557 1.00 0.00 C HETATM 824 CG ABU A 105 36.126 33.493 27.752 1.00 0.00 C HETATM 825 CD ABU A 105 37.023 32.962 28.878 1.00 0.00 C HETATM 826 OE1 ABU A 105 38.226 32.811 28.728 1.00 0.00 O HETATM 0 H ABU A 105 35.581 35.614 30.027 1.00 0.00 H new HETATM 0 HB1 ABU A 105 35.121 35.408 27.665 1.00 0.00 H new HETATM 0 HB2 ABU A 105 36.452 35.253 26.535 1.00 0.00 H new HETATM 0 HG1 ABU A 105 35.454 33.040 27.023 1.00 0.00 H new HETATM 0 HG2 ABU A 105 37.133 33.099 27.612 1.00 0.00 H new HETATM 0 HE2 ABU A 105 35.781 33.257 28.759 1.00 0.00 H new HETATM 834 N IMT A 106 36.375 32.734 30.067 1.00 0.00 N HETATM 835 CA IMT A 106 36.899 32.661 31.329 1.00 0.00 C HETATM 836 NB1 IMT A 106 36.151 32.436 32.452 1.00 0.00 N HETATM 837 CB IMT A 106 38.208 32.903 31.647 1.00 0.00 C HETATM 838 CG1 IMT A 106 37.007 32.528 33.469 1.00 0.00 C HETATM 839 NG2 IMT A 106 38.298 32.801 33.016 1.00 0.00 N HETATM 840 CD IMT A 106 39.553 32.922 33.773 1.00 0.00 C HETATM 841 C IMT A 106 36.717 32.384 34.943 1.00 0.00 C HETATM 842 O IMT A 106 37.551 32.595 35.820 1.00 0.00 O HETATM 0 HN2 IMT A 106 35.372 32.618 29.924 1.00 0.00 H new HETATM 0 HD3 IMT A 106 40.250 32.149 33.448 1.00 0.00 H new HETATM 0 HD2 IMT A 106 39.992 33.904 33.596 1.00 0.00 H new HETATM 0 HD1 IMT A 106 39.349 32.802 34.837 1.00 0.00 H new HETATM 0 HB IMT A 106 39.018 33.131 30.954 1.00 0.00 H new HETATM 848 N PYB A 107 35.418 31.978 35.259 1.00 0.00 N HETATM 849 CA PYB A 107 34.869 31.780 36.529 1.00 0.00 C HETATM 850 CB1 PYB A 107 33.587 31.224 36.807 1.00 0.00 C HETATM 851 CB PYB A 107 35.478 32.081 37.716 1.00 0.00 C HETATM 852 CG1 PYB A 107 33.441 31.167 38.178 1.00 0.00 C HETATM 853 NG2 PYB A 107 34.624 31.686 38.734 1.00 0.00 N HETATM 854 CD PYB A 107 35.008 31.792 40.152 1.00 0.00 C HETATM 855 C PYB A 107 32.310 30.734 39.062 1.00 0.00 C HETATM 856 O PYB A 107 32.403 30.823 40.278 1.00 0.00 O HETATM 0 HD3 PYB A 107 35.900 31.192 40.333 1.00 0.00 H new HETATM 0 HD2 PYB A 107 35.215 32.834 40.396 1.00 0.00 H new HETATM 0 HD1 PYB A 107 34.193 31.428 40.778 1.00 0.00 H new HETATM 0 HB1 PYB A 107 32.853 30.901 36.069 1.00 0.00 H new HETATM 0 HB PYB A 107 36.456 32.546 37.839 1.00 0.00 H new HETATM 0 H PYB A 107 34.888 31.715 34.428 1.00 0.00 H new HETATM 863 N PYB A 108 31.146 30.218 38.488 1.00 0.00 N HETATM 864 CA PYB A 108 29.961 29.960 39.201 1.00 0.00 C HETATM 865 CB1 PYB A 108 28.869 29.124 38.822 1.00 0.00 C HETATM 866 CB PYB A 108 29.665 30.496 40.429 1.00 0.00 C HETATM 867 CG1 PYB A 108 27.976 29.083 39.882 1.00 0.00 C HETATM 868 NG2 PYB A 108 28.451 29.982 40.845 1.00 0.00 N HETATM 869 CD PYB A 108 27.817 30.416 42.101 1.00 0.00 C HETATM 870 C PYB A 108 26.706 28.322 40.125 1.00 0.00 C HETATM 871 O PYB A 108 26.084 28.427 41.173 1.00 0.00 O HETATM 0 HD3 PYB A 108 28.478 30.193 42.938 1.00 0.00 H new HETATM 0 HD2 PYB A 108 27.630 31.489 42.062 1.00 0.00 H new HETATM 0 HD1 PYB A 108 26.873 29.887 42.234 1.00 0.00 H new HETATM 0 HB1 PYB A 108 28.757 28.609 37.868 1.00 0.00 H new HETATM 0 HB PYB A 108 30.281 31.205 40.982 1.00 0.00 H new HETATM 0 H PYB A 108 31.300 29.781 37.580 1.00 0.00 H new HETATM 878 N PYB A 109 26.254 27.465 39.131 1.00 0.00 N HETATM 879 CA PYB A 109 25.050 26.747 39.146 1.00 0.00 C HETATM 880 CB1 PYB A 109 24.613 25.897 38.105 1.00 0.00 C HETATM 881 CB PYB A 109 24.076 26.751 40.120 1.00 0.00 C HETATM 882 CG1 PYB A 109 23.375 25.397 38.446 1.00 0.00 C HETATM 883 NG2 PYB A 109 23.053 25.904 39.705 1.00 0.00 N HETATM 884 CD PYB A 109 21.855 25.613 40.508 1.00 0.00 C HETATM 885 C PYB A 109 22.444 24.544 37.661 1.00 0.00 C HETATM 886 O PYB A 109 21.297 24.267 37.978 1.00 0.00 O HETATM 0 HD3 PYB A 109 22.152 25.160 41.454 1.00 0.00 H new HETATM 0 HD2 PYB A 109 21.314 26.539 40.704 1.00 0.00 H new HETATM 0 HD1 PYB A 109 21.210 24.924 39.962 1.00 0.00 H new HETATM 0 HB1 PYB A 109 25.161 25.675 37.189 1.00 0.00 H new HETATM 0 HB PYB A 109 24.102 27.317 41.051 1.00 0.00 H new HETATM 0 H PYB A 109 26.881 27.392 38.330 1.00 0.00 H new HETATM 893 C01 9T8 A 110 14.015 24.114 31.844 1.00 0.00 C HETATM 894 N02 9T8 A 110 19.501 23.430 34.198 1.00 0.00 N HETATM 895 C03 9T8 A 110 16.141 22.927 32.340 1.00 0.00 C HETATM 896 C05 9T8 A 110 18.063 23.619 33.939 1.00 0.00 C HETATM 897 C06 9T8 A 110 20.442 24.438 34.201 1.00 0.00 C HETATM 898 C07 9T8 A 110 21.889 23.960 34.225 1.00 0.00 C HETATM 899 C04 9T8 A 110 17.657 22.913 32.630 1.00 0.00 C HETATM 900 N01 9T8 A 110 15.497 24.304 32.177 1.00 0.00 N HETATM 901 C02 9T8 A 110 16.152 25.077 31.028 1.00 0.00 C HETATM 902 N03 9T8 A 110 22.986 24.091 36.483 1.00 0.00 N HETATM 903 C08 9T8 A 110 22.291 23.225 35.524 1.00 0.00 C HETATM 904 O01 9T8 A 110 20.132 25.615 34.138 1.00 0.00 O