USER MOD reduce.3.24.130724 H: found=0, std=0, add=321, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 349 hydrogens (99 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 101 PYB HN2 : A 101 PYB N : A 100 9U2 C81 :(H bumps) USER MOD NoAdj-H: A 102 PYB HN2 : A 102 PYB N : A 101 PYB C :(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 105 IMT H : A 105 IMT N : A 104 ABU CD :(H bumps) USER MOD NoAdj-H: A 106 PYB HN2 : A 106 PYB N : A 105 IMT C :(H bumps) USER MOD NoAdj-H: A 107 PYB HN2 : A 107 PYB N : A 106 PYB C :(H bumps) USER MOD NoAdj-H: A 108 PYB HN2 : A 108 PYB N : A 107 PYB C :(H bumps) USER MOD Single : A 1 DCZ O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl -30:sc=-0.000896 (180deg=-0.714) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.164 (180deg=-0.164) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.0309 (180deg=-0.0309) 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= -0.342 (180deg=-0.342) USER MOD Single : B 18 DT C7 :methyl -30:sc= -1.16 (180deg=-1.29) USER MOD Single : B 22 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 DCZ A 1 27.993 9.110 28.675 1.00 0.00 N HETATM 2 C2 DCZ A 1 26.789 8.680 29.249 1.00 0.00 C HETATM 3 N3 DCZ A 1 26.311 9.238 30.384 1.00 0.00 N HETATM 4 C4 DCZ A 1 27.007 10.210 30.933 1.00 0.00 C HETATM 5 C5 DCZ A 1 28.239 10.697 30.410 1.00 0.00 C HETATM 6 C6 DCZ A 1 28.705 10.122 29.271 1.00 0.00 C HETATM 7 O2 DCZ A 1 26.111 7.788 28.737 1.00 0.00 O HETATM 8 N4 DCZ A 1 26.507 10.701 32.031 1.00 0.00 N HETATM 9 C1' DCZ A 1 28.396 8.540 27.357 1.00 0.00 C HETATM 10 C2' DCZ A 1 28.151 9.540 26.222 1.00 0.00 C HETATM 11 C3' DCZ A 1 29.542 9.832 25.667 1.00 0.00 C HETATM 12 C4' DCZ A 1 30.267 8.533 26.029 1.00 0.00 C HETATM 13 O4' DCZ A 1 29.777 8.212 27.325 1.00 0.00 O HETATM 14 O3' DCZ A 1 29.513 10.068 24.266 1.00 0.00 O HETATM 15 C5' DCZ A 1 31.802 8.645 26.033 1.00 0.00 C HETATM 16 O5' DCZ A 1 32.294 9.553 27.017 1.00 0.00 O HETATM 0 HO51 DCZ A 1 33.273 9.582 26.975 1.00 0.00 H new HETATM 0 HN42 DCZ A 1 26.988 11.458 32.517 1.00 0.00 H new HETATM 0 HN41 DCZ A 1 25.634 10.329 32.405 1.00 0.00 H new HETATM 0 H5'2 DCZ A 1 32.232 7.659 26.210 1.00 0.00 H new HETATM 0 H5'1 DCZ A 1 32.139 8.968 25.048 1.00 0.00 H new HETATM 0 H2'2 DCZ A 1 27.498 9.120 25.457 1.00 0.00 H new HETATM 0 H2'1 DCZ A 1 27.671 10.447 26.588 1.00 0.00 H new HETATM 0 H6 DCZ A 1 29.642 10.463 28.831 1.00 0.00 H new HETATM 0 H5 DCZ A 1 28.786 11.500 30.904 1.00 0.00 H new HETATM 0 H4' DCZ A 1 30.069 7.765 25.281 1.00 0.00 H new HETATM 0 H3' DCZ A 1 30.014 10.731 26.064 1.00 0.00 H new HETATM 0 H1' DCZ A 1 27.791 7.643 27.223 1.00 0.00 H new ATOM 29 P DG A 2 28.966 11.454 23.646 1.00 0.00 P ATOM 30 OP1 DG A 2 29.473 11.555 22.255 1.00 0.00 O ATOM 31 OP2 DG A 2 29.273 12.553 24.594 1.00 0.00 O ATOM 32 O5' DG A 2 27.361 11.283 23.596 1.00 0.00 O ATOM 33 C5' DG A 2 26.734 10.382 22.687 1.00 0.00 C ATOM 34 C4' DG A 2 25.227 10.646 22.509 1.00 0.00 C ATOM 35 O4' DG A 2 24.495 10.335 23.694 1.00 0.00 O ATOM 36 C3' DG A 2 24.931 12.105 22.133 1.00 0.00 C ATOM 37 O3' DG A 2 23.925 12.166 21.126 1.00 0.00 O ATOM 38 C2' DG A 2 24.486 12.689 23.472 1.00 0.00 C ATOM 39 C1' DG A 2 23.827 11.497 24.172 1.00 0.00 C ATOM 40 N9 DG A 2 23.964 11.553 25.650 1.00 0.00 N ATOM 41 C8 DG A 2 25.119 11.665 26.384 1.00 0.00 C ATOM 42 N7 DG A 2 24.950 11.609 27.680 1.00 0.00 N ATOM 43 C5 DG A 2 23.559 11.489 27.818 1.00 0.00 C ATOM 44 C6 DG A 2 22.720 11.401 28.989 1.00 0.00 C ATOM 45 O6 DG A 2 23.037 11.378 30.179 1.00 0.00 O ATOM 46 N1 DG A 2 21.373 11.341 28.699 1.00 0.00 N ATOM 47 C2 DG A 2 20.874 11.308 27.442 1.00 0.00 C ATOM 48 N2 DG A 2 19.575 11.265 27.323 1.00 0.00 N ATOM 49 N3 DG A 2 21.604 11.368 26.328 1.00 0.00 N ATOM 50 C4 DG A 2 22.947 11.462 26.580 1.00 0.00 C ATOM 0 H5' DG A 2 26.878 9.361 23.041 1.00 0.00 H new ATOM 0 H5'' DG A 2 27.226 10.455 21.717 1.00 0.00 H new ATOM 0 H4' DG A 2 24.910 9.994 21.695 1.00 0.00 H new ATOM 0 H3' DG A 2 25.769 12.652 21.701 1.00 0.00 H new ATOM 0 H2' DG A 2 25.330 13.075 24.043 1.00 0.00 H new ATOM 0 H2'' DG A 2 23.787 13.515 23.339 1.00 0.00 H new ATOM 0 H1' DG A 2 22.759 11.498 23.954 1.00 0.00 H new ATOM 0 H8 DG A 2 26.090 11.789 25.928 1.00 0.00 H new ATOM 0 H1 DG A 2 20.715 11.320 29.478 1.00 0.00 H new ATOM 0 H21 DG A 2 19.148 11.239 26.397 1.00 0.00 H new ATOM 0 H22 DG A 2 18.987 11.258 28.156 1.00 0.00 H new ATOM 62 P DA A 3 23.704 13.483 20.214 1.00 0.00 P ATOM 63 OP1 DA A 3 23.007 13.065 18.972 1.00 0.00 O ATOM 64 OP2 DA A 3 24.989 14.217 20.097 1.00 0.00 O ATOM 65 O5' DA A 3 22.697 14.373 21.099 1.00 0.00 O ATOM 66 C5' DA A 3 21.299 14.110 21.111 1.00 0.00 C ATOM 67 C4' DA A 3 20.593 14.720 22.327 1.00 0.00 C ATOM 68 O4' DA A 3 21.055 14.121 23.532 1.00 0.00 O ATOM 69 C3' DA A 3 20.818 16.227 22.513 1.00 0.00 C ATOM 70 O3' DA A 3 19.895 17.026 21.776 1.00 0.00 O ATOM 71 C2' DA A 3 20.618 16.367 24.021 1.00 0.00 C ATOM 72 C1' DA A 3 20.600 14.949 24.582 1.00 0.00 C ATOM 73 N9 DA A 3 21.430 14.843 25.799 1.00 0.00 N ATOM 74 C8 DA A 3 22.797 14.886 25.919 1.00 0.00 C ATOM 75 N7 DA A 3 23.232 14.820 27.151 1.00 0.00 N ATOM 76 C5 DA A 3 22.044 14.755 27.898 1.00 0.00 C ATOM 77 C6 DA A 3 21.726 14.676 29.276 1.00 0.00 C ATOM 78 N6 DA A 3 22.606 14.611 30.256 1.00 0.00 N ATOM 79 N1 DA A 3 20.461 14.652 29.691 1.00 0.00 N ATOM 80 C2 DA A 3 19.497 14.699 28.782 1.00 0.00 C ATOM 81 N3 DA A 3 19.633 14.777 27.463 1.00 0.00 N ATOM 82 C4 DA A 3 20.944 14.790 27.083 1.00 0.00 C ATOM 0 H5' DA A 3 21.136 13.032 21.104 1.00 0.00 H new ATOM 0 H5'' DA A 3 20.851 14.506 20.200 1.00 0.00 H new ATOM 0 H4' DA A 3 19.537 14.536 22.129 1.00 0.00 H new ATOM 0 H3' DA A 3 21.785 16.572 22.148 1.00 0.00 H new ATOM 0 H2' DA A 3 21.422 16.952 24.468 1.00 0.00 H new ATOM 0 H2'' DA A 3 19.685 16.885 24.243 1.00 0.00 H new ATOM 0 H1' DA A 3 19.603 14.646 24.902 1.00 0.00 H new ATOM 0 H8 DA A 3 23.457 14.967 25.068 1.00 0.00 H new ATOM 0 H61 DA A 3 22.288 14.556 31.224 1.00 0.00 H new ATOM 0 H62 DA A 3 23.604 14.615 30.046 1.00 0.00 H new ATOM 0 H2 DA A 3 18.485 14.671 29.157 1.00 0.00 H new ATOM 94 P DT A 4 19.919 18.647 21.824 1.00 0.00 P ATOM 95 OP1 DT A 4 19.116 19.144 20.679 1.00 0.00 O ATOM 96 OP2 DT A 4 21.327 19.097 21.956 1.00 0.00 O ATOM 97 O5' DT A 4 19.142 19.019 23.193 1.00 0.00 O ATOM 98 C5' DT A 4 17.744 18.784 23.326 1.00 0.00 C ATOM 99 C4' DT A 4 17.239 18.805 24.779 1.00 0.00 C ATOM 100 O4' DT A 4 17.900 17.836 25.587 1.00 0.00 O ATOM 101 C3' DT A 4 17.426 20.135 25.518 1.00 0.00 C ATOM 102 O3' DT A 4 16.576 21.190 25.054 1.00 0.00 O ATOM 103 C2' DT A 4 17.225 19.636 26.949 1.00 0.00 C ATOM 104 C1' DT A 4 17.928 18.280 26.939 1.00 0.00 C ATOM 105 N1 DT A 4 19.311 18.357 27.489 1.00 0.00 N ATOM 106 C2 DT A 4 19.455 18.175 28.870 1.00 0.00 C ATOM 107 O2 DT A 4 18.509 18.120 29.657 1.00 0.00 O ATOM 108 N3 DT A 4 20.736 18.060 29.346 1.00 0.00 N ATOM 109 C4 DT A 4 21.888 18.191 28.611 1.00 0.00 C ATOM 110 O4 DT A 4 22.966 18.032 29.188 1.00 0.00 O ATOM 111 C5 DT A 4 21.676 18.500 27.194 1.00 0.00 C ATOM 112 C7 DT A 4 22.867 18.722 26.277 1.00 0.00 C ATOM 113 C6 DT A 4 20.414 18.578 26.686 1.00 0.00 C ATOM 0 H5' DT A 4 17.505 17.817 22.884 1.00 0.00 H new ATOM 0 H5'' DT A 4 17.204 19.538 22.754 1.00 0.00 H new ATOM 0 H4' DT A 4 16.175 18.603 24.657 1.00 0.00 H new ATOM 0 H3' DT A 4 18.377 20.648 25.372 1.00 0.00 H new ATOM 0 H2' DT A 4 17.666 20.314 27.679 1.00 0.00 H new ATOM 0 H2'' DT A 4 16.168 19.542 27.199 1.00 0.00 H new ATOM 0 H1' DT A 4 17.420 17.569 27.590 1.00 0.00 H new ATOM 0 H3 DT A 4 20.843 17.858 30.340 1.00 0.00 H new ATOM 0 H71 DT A 4 23.696 19.135 26.851 1.00 0.00 H new ATOM 0 H72 DT A 4 23.169 17.772 25.836 1.00 0.00 H new ATOM 0 H73 DT A 4 22.592 19.418 25.485 1.00 0.00 H new ATOM 0 H6 DT A 4 20.274 18.816 25.642 1.00 0.00 H new ATOM 126 P DG A 5 15.006 21.350 25.405 1.00 0.00 P ATOM 127 OP1 DG A 5 14.372 20.010 25.356 1.00 0.00 O ATOM 128 OP2 DG A 5 14.461 22.428 24.546 1.00 0.00 O ATOM 129 O5' DG A 5 14.959 21.873 26.927 1.00 0.00 O ATOM 130 C5' DG A 5 13.971 21.393 27.828 1.00 0.00 C ATOM 131 C4' DG A 5 13.827 22.209 29.119 1.00 0.00 C ATOM 132 O4' DG A 5 14.958 22.058 29.967 1.00 0.00 O ATOM 133 C3' DG A 5 13.610 23.709 28.883 1.00 0.00 C ATOM 134 O3' DG A 5 12.636 24.161 29.819 1.00 0.00 O ATOM 135 C2' DG A 5 15.027 24.258 29.056 1.00 0.00 C ATOM 136 C1' DG A 5 15.703 23.266 30.008 1.00 0.00 C ATOM 137 N9 DG A 5 17.115 22.939 29.676 1.00 0.00 N ATOM 138 C8 DG A 5 17.733 22.804 28.453 1.00 0.00 C ATOM 139 N7 DG A 5 18.942 22.306 28.512 1.00 0.00 N ATOM 140 C5 DG A 5 19.149 22.109 29.883 1.00 0.00 C ATOM 141 C6 DG A 5 20.255 21.549 30.620 1.00 0.00 C ATOM 142 O6 DG A 5 21.296 21.042 30.204 1.00 0.00 O ATOM 143 N1 DG A 5 20.097 21.625 31.989 1.00 0.00 N ATOM 144 C2 DG A 5 19.016 22.171 32.588 1.00 0.00 C ATOM 145 N2 DG A 5 19.080 22.348 33.873 1.00 0.00 N ATOM 146 N3 DG A 5 17.933 22.609 31.958 1.00 0.00 N ATOM 147 C4 DG A 5 18.061 22.558 30.598 1.00 0.00 C ATOM 0 H5' DG A 5 14.209 20.362 28.091 1.00 0.00 H new ATOM 0 H5'' DG A 5 13.009 21.377 27.316 1.00 0.00 H new ATOM 0 H4' DG A 5 12.934 21.803 29.595 1.00 0.00 H new ATOM 0 H3' DG A 5 13.209 24.024 27.919 1.00 0.00 H new ATOM 0 H2' DG A 5 15.551 24.314 28.102 1.00 0.00 H new ATOM 0 H2'' DG A 5 15.015 25.265 29.473 1.00 0.00 H new ATOM 0 H1' DG A 5 15.721 23.741 30.989 1.00 0.00 H new ATOM 0 H8 DG A 5 17.260 23.085 27.524 1.00 0.00 H new ATOM 0 H1 DG A 5 20.837 21.248 32.581 1.00 0.00 H new ATOM 0 H21 DG A 5 18.290 22.757 34.371 1.00 0.00 H new ATOM 0 H22 DG A 5 19.921 22.078 34.384 1.00 0.00 H new ATOM 159 P DT A 6 12.184 25.701 29.985 1.00 0.00 P ATOM 160 OP1 DT A 6 10.734 25.725 30.306 1.00 0.00 O ATOM 161 OP2 DT A 6 12.677 26.498 28.834 1.00 0.00 O ATOM 162 O5' DT A 6 13.006 26.127 31.297 1.00 0.00 O ATOM 163 C5' DT A 6 12.689 25.554 32.563 1.00 0.00 C ATOM 164 C4' DT A 6 13.782 25.817 33.600 1.00 0.00 C ATOM 165 O4' DT A 6 15.010 25.297 33.122 1.00 0.00 O ATOM 166 C3' DT A 6 14.002 27.304 33.899 1.00 0.00 C ATOM 167 O3' DT A 6 13.245 27.718 35.032 1.00 0.00 O ATOM 168 C2' DT A 6 15.494 27.345 34.204 1.00 0.00 C ATOM 169 C1' DT A 6 16.064 26.031 33.706 1.00 0.00 C ATOM 170 N1 DT A 6 17.177 26.144 32.742 1.00 0.00 N ATOM 171 C2 DT A 6 18.430 25.664 33.142 1.00 0.00 C ATOM 172 O2 DT A 6 18.726 25.399 34.307 1.00 0.00 O ATOM 173 N3 DT A 6 19.359 25.480 32.148 1.00 0.00 N ATOM 174 C4 DT A 6 19.137 25.702 30.808 1.00 0.00 C ATOM 175 O4 DT A 6 19.987 25.327 30.007 1.00 0.00 O ATOM 176 C5 DT A 6 17.873 26.366 30.485 1.00 0.00 C ATOM 177 C7 DT A 6 17.576 26.809 29.063 1.00 0.00 C ATOM 178 C6 DT A 6 16.941 26.564 31.451 1.00 0.00 C ATOM 0 H5' DT A 6 12.548 24.479 32.449 1.00 0.00 H new ATOM 0 H5'' DT A 6 11.744 25.964 32.920 1.00 0.00 H new ATOM 0 H4' DT A 6 13.451 25.334 34.519 1.00 0.00 H new ATOM 0 H3' DT A 6 13.694 27.965 33.089 1.00 0.00 H new ATOM 0 H2' DT A 6 15.970 28.190 33.706 1.00 0.00 H new ATOM 0 H2'' DT A 6 15.670 27.465 35.273 1.00 0.00 H new ATOM 0 H1' DT A 6 16.498 25.534 34.574 1.00 0.00 H new ATOM 0 H3 DT A 6 20.285 25.154 32.424 1.00 0.00 H new ATOM 0 H71 DT A 6 16.501 26.774 28.888 1.00 0.00 H new ATOM 0 H72 DT A 6 17.935 27.828 28.917 1.00 0.00 H new ATOM 0 H73 DT A 6 18.079 26.143 28.362 1.00 0.00 H new ATOM 0 H6 DT A 6 16.010 27.053 31.207 1.00 0.00 H new ATOM 191 P DA A 7 13.134 29.267 35.484 1.00 0.00 P ATOM 192 OP1 DA A 7 12.149 29.340 36.593 1.00 0.00 O ATOM 193 OP2 DA A 7 12.899 30.091 34.273 1.00 0.00 O ATOM 194 O5' DA A 7 14.590 29.650 36.075 1.00 0.00 O ATOM 195 C5' DA A 7 15.065 29.095 37.299 1.00 0.00 C ATOM 196 C4' DA A 7 16.567 29.340 37.532 1.00 0.00 C ATOM 197 O4' DA A 7 17.352 28.786 36.477 1.00 0.00 O ATOM 198 C3' DA A 7 16.948 30.823 37.667 1.00 0.00 C ATOM 199 O3' DA A 7 17.670 31.004 38.880 1.00 0.00 O ATOM 200 C2' DA A 7 17.767 31.058 36.399 1.00 0.00 C ATOM 201 C1' DA A 7 18.388 29.686 36.131 1.00 0.00 C ATOM 202 N9 DA A 7 18.744 29.500 34.703 1.00 0.00 N ATOM 203 C8 DA A 7 17.974 29.822 33.608 1.00 0.00 C ATOM 204 N7 DA A 7 18.503 29.514 32.457 1.00 0.00 N ATOM 205 C5 DA A 7 19.738 28.964 32.829 1.00 0.00 C ATOM 206 C6 DA A 7 20.818 28.413 32.106 1.00 0.00 C ATOM 207 N6 DA A 7 20.829 28.299 30.796 1.00 0.00 N ATOM 208 N1 DA A 7 21.893 27.917 32.720 1.00 0.00 N ATOM 209 C2 DA A 7 21.912 27.971 34.044 1.00 0.00 C ATOM 210 N3 DA A 7 20.981 28.450 34.869 1.00 0.00 N ATOM 211 C4 DA A 7 19.899 28.940 34.189 1.00 0.00 C ATOM 0 H5' DA A 7 14.873 28.022 37.303 1.00 0.00 H new ATOM 0 H5'' DA A 7 14.501 29.522 38.128 1.00 0.00 H new ATOM 0 H4' DA A 7 16.777 28.847 38.481 1.00 0.00 H new ATOM 0 H3' DA A 7 16.123 31.532 37.735 1.00 0.00 H new ATOM 0 H2' DA A 7 17.141 31.387 35.569 1.00 0.00 H new ATOM 0 H2'' DA A 7 18.529 31.824 36.547 1.00 0.00 H new ATOM 0 H1' DA A 7 19.313 29.546 36.690 1.00 0.00 H new ATOM 0 H8 DA A 7 17.006 30.293 33.696 1.00 0.00 H new ATOM 0 H61 DA A 7 21.638 27.892 30.326 1.00 0.00 H new ATOM 0 H62 DA A 7 20.029 28.617 30.250 1.00 0.00 H new ATOM 0 H2 DA A 7 22.798 27.575 34.517 1.00 0.00 H new ATOM 223 P DC A 8 18.273 32.425 39.352 1.00 0.00 P ATOM 224 OP1 DC A 8 18.278 32.448 40.836 1.00 0.00 O ATOM 225 OP2 DC A 8 17.587 33.519 38.622 1.00 0.00 O ATOM 226 O5' DC A 8 19.795 32.341 38.835 1.00 0.00 O ATOM 227 C5' DC A 8 20.654 31.311 39.311 1.00 0.00 C ATOM 228 C4' DC A 8 22.030 31.304 38.641 1.00 0.00 C ATOM 229 O4' DC A 8 21.885 31.051 37.248 1.00 0.00 O ATOM 230 C3' DC A 8 22.806 32.613 38.828 1.00 0.00 C ATOM 231 O3' DC A 8 24.075 32.346 39.417 1.00 0.00 O ATOM 232 C2' DC A 8 22.882 33.141 37.397 1.00 0.00 C ATOM 233 C1' DC A 8 22.770 31.884 36.528 1.00 0.00 C ATOM 234 N1 DC A 8 22.184 32.082 35.168 1.00 0.00 N ATOM 235 C2 DC A 8 22.804 31.504 34.046 1.00 0.00 C ATOM 236 O2 DC A 8 23.905 30.955 34.112 1.00 0.00 O ATOM 237 N3 DC A 8 22.199 31.521 32.829 1.00 0.00 N ATOM 238 C4 DC A 8 21.010 32.082 32.730 1.00 0.00 C ATOM 239 N4 DC A 8 20.455 32.061 31.554 1.00 0.00 N ATOM 240 C5 DC A 8 20.327 32.676 33.823 1.00 0.00 C ATOM 241 C6 DC A 8 20.947 32.665 35.029 1.00 0.00 C ATOM 0 H5' DC A 8 20.175 30.346 39.149 1.00 0.00 H new ATOM 0 H5'' DC A 8 20.783 31.426 40.387 1.00 0.00 H new ATOM 0 H4' DC A 8 22.604 30.515 39.127 1.00 0.00 H new ATOM 0 H3' DC A 8 22.352 33.339 39.502 1.00 0.00 H new ATOM 0 H2' DC A 8 22.075 33.843 37.188 1.00 0.00 H new ATOM 0 H2'' DC A 8 23.819 33.669 37.216 1.00 0.00 H new ATOM 0 H1' DC A 8 23.774 31.498 36.351 1.00 0.00 H new ATOM 0 H41 DC A 8 19.535 32.480 31.417 1.00 0.00 H new ATOM 0 H42 DC A 8 20.940 31.626 30.769 1.00 0.00 H new ATOM 0 H5 DC A 8 19.350 33.120 33.699 1.00 0.00 H new ATOM 0 H6 DC A 8 20.467 33.116 35.884 1.00 0.00 H new ATOM 253 P DA A 9 24.996 33.506 40.068 1.00 0.00 P ATOM 254 OP1 DA A 9 25.900 32.872 41.062 1.00 0.00 O ATOM 255 OP2 DA A 9 24.131 34.630 40.506 1.00 0.00 O ATOM 256 O5' DA A 9 25.883 34.011 38.827 1.00 0.00 O ATOM 257 C5' DA A 9 26.853 33.150 38.248 1.00 0.00 C ATOM 258 C4' DA A 9 27.239 33.551 36.821 1.00 0.00 C ATOM 259 O4' DA A 9 26.084 33.537 35.976 1.00 0.00 O ATOM 260 C3' DA A 9 27.891 34.936 36.708 1.00 0.00 C ATOM 261 O3' DA A 9 29.055 34.824 35.896 1.00 0.00 O ATOM 262 C2' DA A 9 26.752 35.746 36.091 1.00 0.00 C ATOM 263 C1' DA A 9 26.081 34.712 35.188 1.00 0.00 C ATOM 264 N9 DA A 9 24.691 35.080 34.817 1.00 0.00 N ATOM 265 C8 DA A 9 23.739 35.711 35.587 1.00 0.00 C ATOM 266 N7 DA A 9 22.594 35.905 34.989 1.00 0.00 N ATOM 267 C5 DA A 9 22.823 35.385 33.707 1.00 0.00 C ATOM 268 C6 DA A 9 22.055 35.291 32.523 1.00 0.00 C ATOM 269 N6 DA A 9 20.822 35.737 32.374 1.00 0.00 N ATOM 270 N1 DA A 9 22.545 34.721 31.428 1.00 0.00 N ATOM 271 C2 DA A 9 23.771 34.224 31.482 1.00 0.00 C ATOM 272 N3 DA A 9 24.617 34.237 32.506 1.00 0.00 N ATOM 273 C4 DA A 9 24.082 34.852 33.601 1.00 0.00 C ATOM 0 H5' DA A 9 26.467 32.131 38.240 1.00 0.00 H new ATOM 0 H5'' DA A 9 27.746 33.148 38.872 1.00 0.00 H new ATOM 0 H4' DA A 9 27.979 32.815 36.509 1.00 0.00 H new ATOM 0 H3' DA A 9 28.251 35.396 37.628 1.00 0.00 H new ATOM 0 H2' DA A 9 26.069 36.132 36.848 1.00 0.00 H new ATOM 0 H2'' DA A 9 27.120 36.603 35.527 1.00 0.00 H new ATOM 0 H1' DA A 9 26.605 34.613 34.237 1.00 0.00 H new ATOM 0 H8 DA A 9 23.925 36.021 36.605 1.00 0.00 H new ATOM 0 H61 DA A 9 20.344 35.625 31.480 1.00 0.00 H new ATOM 0 H62 DA A 9 20.347 36.194 33.153 1.00 0.00 H new ATOM 0 H2 DA A 9 24.128 33.748 30.580 1.00 0.00 H new ATOM 285 P DT A 10 29.981 36.085 35.518 1.00 0.00 P ATOM 286 OP1 DT A 10 31.325 35.574 35.148 1.00 0.00 O ATOM 287 OP2 DT A 10 29.871 37.108 36.589 1.00 0.00 O ATOM 288 O5' DT A 10 29.246 36.630 34.194 1.00 0.00 O ATOM 289 C5' DT A 10 29.269 35.859 33.004 1.00 0.00 C ATOM 290 C4' DT A 10 28.527 36.488 31.822 1.00 0.00 C ATOM 291 O4' DT A 10 27.118 36.406 31.923 1.00 0.00 O ATOM 292 C3' DT A 10 28.786 37.981 31.652 1.00 0.00 C ATOM 293 O3' DT A 10 30.112 38.226 31.203 1.00 0.00 O ATOM 294 C2' DT A 10 27.710 38.300 30.618 1.00 0.00 C ATOM 295 C1' DT A 10 26.604 37.277 30.923 1.00 0.00 C ATOM 296 N1 DT A 10 25.312 37.880 31.350 1.00 0.00 N ATOM 297 C2 DT A 10 24.337 38.068 30.366 1.00 0.00 C ATOM 298 O2 DT A 10 24.567 37.961 29.163 1.00 0.00 O ATOM 299 N3 DT A 10 23.075 38.402 30.795 1.00 0.00 N ATOM 300 C4 DT A 10 22.718 38.678 32.096 1.00 0.00 C ATOM 301 O4 DT A 10 21.537 38.927 32.340 1.00 0.00 O ATOM 302 C5 DT A 10 23.827 38.640 33.053 1.00 0.00 C ATOM 303 C7 DT A 10 23.602 39.038 34.503 1.00 0.00 C ATOM 304 C6 DT A 10 25.066 38.226 32.664 1.00 0.00 C ATOM 0 H5' DT A 10 28.833 34.882 33.211 1.00 0.00 H new ATOM 0 H5'' DT A 10 30.307 35.690 32.716 1.00 0.00 H new ATOM 0 H4' DT A 10 28.916 35.906 30.987 1.00 0.00 H new ATOM 0 H3' DT A 10 28.727 38.592 32.553 1.00 0.00 H new ATOM 0 H2' DT A 10 27.349 39.323 30.718 1.00 0.00 H new ATOM 0 H2'' DT A 10 28.087 38.193 29.601 1.00 0.00 H new ATOM 0 H1' DT A 10 26.357 36.745 30.004 1.00 0.00 H new ATOM 0 H3 DT A 10 22.340 38.450 30.089 1.00 0.00 H new ATOM 0 H71 DT A 10 24.288 38.484 35.143 1.00 0.00 H new ATOM 0 H72 DT A 10 23.781 40.107 34.619 1.00 0.00 H new ATOM 0 H73 DT A 10 22.575 38.809 34.788 1.00 0.00 H new ATOM 0 H6 DT A 10 25.863 38.168 33.390 1.00 0.00 H new ATOM 317 P DC A 11 30.950 39.519 31.684 1.00 0.00 P ATOM 318 OP1 DC A 11 32.378 39.295 31.342 1.00 0.00 O ATOM 319 OP2 DC A 11 30.595 39.859 33.084 1.00 0.00 O ATOM 320 O5' DC A 11 30.376 40.680 30.737 1.00 0.00 O ATOM 321 C5' DC A 11 30.665 40.699 29.346 1.00 0.00 C ATOM 322 C4' DC A 11 29.710 41.616 28.572 1.00 0.00 C ATOM 323 O4' DC A 11 28.370 41.148 28.750 1.00 0.00 O ATOM 324 C3' DC A 11 29.763 43.081 29.041 1.00 0.00 C ATOM 325 O3' DC A 11 29.678 43.979 27.948 1.00 0.00 O ATOM 326 C2' DC A 11 28.496 43.189 29.868 1.00 0.00 C ATOM 327 C1' DC A 11 27.560 42.259 29.081 1.00 0.00 C ATOM 328 N1 DC A 11 26.328 41.861 29.822 1.00 0.00 N ATOM 329 C2 DC A 11 25.120 41.746 29.113 1.00 0.00 C ATOM 330 O2 DC A 11 25.065 41.687 27.881 1.00 0.00 O ATOM 331 N3 DC A 11 23.939 41.705 29.773 1.00 0.00 N ATOM 332 C4 DC A 11 23.957 41.743 31.089 1.00 0.00 C ATOM 333 N4 DC A 11 22.803 41.786 31.682 1.00 0.00 N ATOM 334 C5 DC A 11 25.143 41.684 31.862 1.00 0.00 C ATOM 335 C6 DC A 11 26.319 41.729 31.193 1.00 0.00 C ATOM 0 H5' DC A 11 30.597 39.687 28.948 1.00 0.00 H new ATOM 0 H5'' DC A 11 31.691 41.033 29.194 1.00 0.00 H new ATOM 0 H4' DC A 11 30.023 41.586 27.528 1.00 0.00 H new ATOM 0 H3' DC A 11 30.685 43.326 29.568 1.00 0.00 H new ATOM 0 H2' DC A 11 28.643 42.855 30.895 1.00 0.00 H new ATOM 0 H2'' DC A 11 28.119 44.211 29.916 1.00 0.00 H new ATOM 0 H1' DC A 11 27.157 42.765 28.204 1.00 0.00 H new ATOM 0 H41 DC A 11 22.754 41.817 32.700 1.00 0.00 H new ATOM 0 H42 DC A 11 21.946 41.789 31.130 1.00 0.00 H new ATOM 0 H5 DC A 11 25.110 41.606 32.939 1.00 0.00 H new ATOM 0 H6 DC A 11 27.251 41.661 31.735 1.00 0.00 H new ATOM 347 P DG A 12 30.828 45.060 27.666 1.00 0.00 P ATOM 348 OP1 DG A 12 32.146 44.379 27.682 1.00 0.00 O ATOM 349 OP2 DG A 12 30.600 46.223 28.558 1.00 0.00 O ATOM 350 O5' DG A 12 30.497 45.510 26.158 1.00 0.00 O ATOM 351 C5' DG A 12 30.540 44.582 25.079 1.00 0.00 C ATOM 352 C4' DG A 12 29.220 44.538 24.289 1.00 0.00 C ATOM 353 O4' DG A 12 28.153 44.045 25.105 1.00 0.00 O ATOM 354 C3' DG A 12 28.789 45.919 23.760 1.00 0.00 C ATOM 355 O3' DG A 12 28.226 45.816 22.453 1.00 0.00 O ATOM 356 C2' DG A 12 27.721 46.320 24.772 1.00 0.00 C ATOM 357 C1' DG A 12 27.071 44.964 25.046 1.00 0.00 C ATOM 358 N9 DG A 12 26.277 44.957 26.298 1.00 0.00 N ATOM 359 C8 DG A 12 26.671 45.314 27.565 1.00 0.00 C ATOM 360 N7 DG A 12 25.719 45.254 28.462 1.00 0.00 N ATOM 361 C5 DG A 12 24.598 44.846 27.724 1.00 0.00 C ATOM 362 C6 DG A 12 23.224 44.626 28.110 1.00 0.00 C ATOM 363 O6 DG A 12 22.695 44.736 29.218 1.00 0.00 O ATOM 364 N1 DG A 12 22.409 44.264 27.057 1.00 0.00 N ATOM 365 C2 DG A 12 22.845 44.111 25.783 1.00 0.00 C ATOM 366 N2 DG A 12 21.949 43.824 24.879 1.00 0.00 N ATOM 367 N3 DG A 12 24.098 44.298 25.376 1.00 0.00 N ATOM 368 C4 DG A 12 24.934 44.664 26.398 1.00 0.00 C ATOM 0 H5' DG A 12 30.761 43.588 25.467 1.00 0.00 H new ATOM 0 H5'' DG A 12 31.354 44.850 24.406 1.00 0.00 H new ATOM 0 H4' DG A 12 29.411 43.876 23.445 1.00 0.00 H new ATOM 0 H3' DG A 12 29.610 46.630 23.668 1.00 0.00 H new ATOM 0 H2' DG A 12 28.148 46.764 25.671 1.00 0.00 H new ATOM 0 H2'' DG A 12 27.015 47.043 24.364 1.00 0.00 H new ATOM 0 HO3' DG A 12 27.959 46.706 22.141 1.00 0.00 H new ATOM 0 H1' DG A 12 26.354 44.704 24.267 1.00 0.00 H new ATOM 0 H8 DG A 12 27.680 45.618 27.801 1.00 0.00 H new ATOM 0 H1 DG A 12 21.420 44.102 27.249 1.00 0.00 H new ATOM 0 H21 DG A 12 22.228 43.699 23.906 1.00 0.00 H new ATOM 0 H22 DG A 12 20.969 43.724 25.145 1.00 0.00 H new TER 381 DG A 12 HETATM 382 N1 DCZ B 13 17.409 44.573 27.051 1.00 0.00 N HETATM 383 C2 DCZ B 13 18.773 44.304 26.878 1.00 0.00 C HETATM 384 N3 DCZ B 13 19.605 44.214 27.942 1.00 0.00 N HETATM 385 C4 DCZ B 13 19.086 44.331 29.148 1.00 0.00 C HETATM 386 C5 DCZ B 13 17.700 44.529 29.397 1.00 0.00 C HETATM 387 C6 DCZ B 13 16.883 44.644 28.319 1.00 0.00 C HETATM 388 O2 DCZ B 13 19.278 44.152 25.764 1.00 0.00 O HETATM 389 N4 DCZ B 13 19.944 44.312 30.126 1.00 0.00 N HETATM 390 C1' DCZ B 13 16.570 44.837 25.851 1.00 0.00 C HETATM 391 C2' DCZ B 13 15.664 43.668 25.490 1.00 0.00 C HETATM 392 C3' DCZ B 13 14.709 44.378 24.534 1.00 0.00 C HETATM 393 C4' DCZ B 13 14.519 45.727 25.247 1.00 0.00 C HETATM 394 O4' DCZ B 13 15.684 45.931 26.052 1.00 0.00 O HETATM 395 O3' DCZ B 13 15.318 44.583 23.262 1.00 0.00 O HETATM 396 C5' DCZ B 13 13.257 45.742 26.129 1.00 0.00 C HETATM 397 O5' DCZ B 13 13.108 46.984 26.813 1.00 0.00 O HETATM 0 HO51 DCZ B 13 12.297 46.960 27.362 1.00 0.00 H new HETATM 0 HN42 DCZ B 13 19.621 44.397 31.090 1.00 0.00 H new HETATM 0 HN41 DCZ B 13 20.940 44.212 29.929 1.00 0.00 H new HETATM 0 H5'2 DCZ B 13 12.378 45.559 25.511 1.00 0.00 H new HETATM 0 H5'1 DCZ B 13 13.310 44.931 26.855 1.00 0.00 H new HETATM 0 H2'2 DCZ B 13 16.204 42.851 25.013 1.00 0.00 H new HETATM 0 H2'1 DCZ B 13 15.154 43.249 26.358 1.00 0.00 H new HETATM 0 H6 DCZ B 13 15.812 44.792 28.459 1.00 0.00 H new HETATM 0 H5 DCZ B 13 17.309 44.586 30.413 1.00 0.00 H new HETATM 0 H4' DCZ B 13 14.390 46.521 24.511 1.00 0.00 H new HETATM 0 H3' DCZ B 13 13.789 43.827 24.339 1.00 0.00 H new HETATM 0 H1' DCZ B 13 17.296 45.032 25.062 1.00 0.00 H new ATOM 410 P DG B 14 15.006 43.616 22.016 1.00 0.00 P ATOM 411 OP1 DG B 14 15.752 44.135 20.843 1.00 0.00 O ATOM 412 OP2 DG B 14 13.535 43.437 21.912 1.00 0.00 O ATOM 413 O5' DG B 14 15.657 42.227 22.505 1.00 0.00 O ATOM 414 C5' DG B 14 16.706 41.576 21.802 1.00 0.00 C ATOM 415 C4' DG B 14 17.240 40.370 22.588 1.00 0.00 C ATOM 416 O4' DG B 14 18.021 40.801 23.704 1.00 0.00 O ATOM 417 C3' DG B 14 16.124 39.452 23.133 1.00 0.00 C ATOM 418 O3' DG B 14 16.320 38.091 22.797 1.00 0.00 O ATOM 419 C2' DG B 14 16.300 39.623 24.634 1.00 0.00 C ATOM 420 C1' DG B 14 17.811 39.859 24.739 1.00 0.00 C ATOM 421 N9 DG B 14 18.229 40.341 26.083 1.00 0.00 N ATOM 422 C8 DG B 14 17.426 40.627 27.165 1.00 0.00 C ATOM 423 N7 DG B 14 18.071 40.925 28.256 1.00 0.00 N ATOM 424 C5 DG B 14 19.414 40.848 27.873 1.00 0.00 C ATOM 425 C6 DG B 14 20.617 41.042 28.636 1.00 0.00 C ATOM 426 O6 DG B 14 20.740 41.285 29.834 1.00 0.00 O ATOM 427 N1 DG B 14 21.769 40.929 27.889 1.00 0.00 N ATOM 428 C2 DG B 14 21.785 40.600 26.577 1.00 0.00 C ATOM 429 N2 DG B 14 22.966 40.541 26.018 1.00 0.00 N ATOM 430 N3 DG B 14 20.699 40.353 25.838 1.00 0.00 N ATOM 431 C4 DG B 14 19.528 40.509 26.539 1.00 0.00 C ATOM 0 H5' DG B 14 17.517 42.281 21.619 1.00 0.00 H new ATOM 0 H5'' DG B 14 16.344 41.247 20.828 1.00 0.00 H new ATOM 0 H4' DG B 14 17.840 39.805 21.875 1.00 0.00 H new ATOM 0 H3' DG B 14 15.142 39.708 22.734 1.00 0.00 H new ATOM 0 H2' DG B 14 15.725 40.464 25.021 1.00 0.00 H new ATOM 0 H2'' DG B 14 15.983 38.739 25.188 1.00 0.00 H new ATOM 0 H1' DG B 14 18.412 38.956 24.627 1.00 0.00 H new ATOM 0 H8 DG B 14 16.347 40.606 27.113 1.00 0.00 H new ATOM 0 H1 DG B 14 22.661 41.103 28.352 1.00 0.00 H new ATOM 0 H21 DG B 14 23.051 40.299 25.031 1.00 0.00 H new ATOM 0 H22 DG B 14 23.801 40.737 26.569 1.00 0.00 H new ATOM 443 P DA B 15 15.716 37.479 21.441 1.00 0.00 P ATOM 444 OP1 DA B 15 15.843 38.480 20.354 1.00 0.00 O ATOM 445 OP2 DA B 15 14.378 36.916 21.748 1.00 0.00 O ATOM 446 O5' DA B 15 16.707 36.254 21.112 1.00 0.00 O ATOM 447 C5' DA B 15 18.092 36.458 20.837 1.00 0.00 C ATOM 448 C4' DA B 15 19.009 36.033 21.996 1.00 0.00 C ATOM 449 O4' DA B 15 18.896 36.852 23.151 1.00 0.00 O ATOM 450 C3' DA B 15 18.742 34.603 22.478 1.00 0.00 C ATOM 451 O3' DA B 15 19.401 33.675 21.621 1.00 0.00 O ATOM 452 C2' DA B 15 19.269 34.662 23.916 1.00 0.00 C ATOM 453 C1' DA B 15 19.518 36.141 24.202 1.00 0.00 C ATOM 454 N9 DA B 15 19.018 36.546 25.535 1.00 0.00 N ATOM 455 C8 DA B 15 17.726 36.625 25.998 1.00 0.00 C ATOM 456 N7 DA B 15 17.626 37.008 27.249 1.00 0.00 N ATOM 457 C5 DA B 15 18.968 37.167 27.641 1.00 0.00 C ATOM 458 C6 DA B 15 19.645 37.552 28.830 1.00 0.00 C ATOM 459 N6 DA B 15 19.080 37.899 29.972 1.00 0.00 N ATOM 460 N1 DA B 15 20.976 37.618 28.876 1.00 0.00 N ATOM 461 C2 DA B 15 21.654 37.296 27.783 1.00 0.00 C ATOM 462 N3 DA B 15 21.174 36.911 26.610 1.00 0.00 N ATOM 463 C4 DA B 15 19.814 36.877 26.603 1.00 0.00 C ATOM 0 H5' DA B 15 18.261 37.512 20.617 1.00 0.00 H new ATOM 0 H5'' DA B 15 18.364 35.898 19.943 1.00 0.00 H new ATOM 0 H4' DA B 15 20.003 36.127 21.559 1.00 0.00 H new ATOM 0 H3' DA B 15 17.706 34.265 22.455 1.00 0.00 H new ATOM 0 H2' DA B 15 18.546 34.244 24.616 1.00 0.00 H new ATOM 0 H2'' DA B 15 20.186 34.083 24.021 1.00 0.00 H new ATOM 0 H1' DA B 15 20.585 36.359 24.237 1.00 0.00 H new ATOM 0 H8 DA B 15 16.868 36.392 25.385 1.00 0.00 H new ATOM 0 H61 DA B 15 19.660 38.160 30.770 1.00 0.00 H new ATOM 0 H62 DA B 15 18.064 37.906 30.057 1.00 0.00 H new ATOM 0 H2 DA B 15 22.730 37.355 27.858 1.00 0.00 H new ATOM 475 P DT B 16 19.579 32.106 21.965 1.00 0.00 P ATOM 476 OP1 DT B 16 19.850 31.392 20.692 1.00 0.00 O ATOM 477 OP2 DT B 16 18.445 31.661 22.812 1.00 0.00 O ATOM 478 O5' DT B 16 20.924 32.102 22.852 1.00 0.00 O ATOM 479 C5' DT B 16 22.147 32.602 22.318 1.00 0.00 C ATOM 480 C4' DT B 16 23.199 32.895 23.396 1.00 0.00 C ATOM 481 O4' DT B 16 22.714 33.815 24.363 1.00 0.00 O ATOM 482 C3' DT B 16 23.655 31.639 24.140 1.00 0.00 C ATOM 483 O3' DT B 16 24.748 31.082 23.419 1.00 0.00 O ATOM 484 C2' DT B 16 24.105 32.237 25.472 1.00 0.00 C ATOM 485 C1' DT B 16 23.292 33.528 25.626 1.00 0.00 C ATOM 486 N1 DT B 16 22.222 33.460 26.668 1.00 0.00 N ATOM 487 C2 DT B 16 22.479 34.076 27.899 1.00 0.00 C ATOM 488 O2 DT B 16 23.567 34.560 28.209 1.00 0.00 O ATOM 489 N3 DT B 16 21.440 34.152 28.793 1.00 0.00 N ATOM 490 C4 DT B 16 20.157 33.711 28.572 1.00 0.00 C ATOM 491 O4 DT B 16 19.307 33.925 29.436 1.00 0.00 O ATOM 492 C5 DT B 16 19.957 33.033 27.291 1.00 0.00 C ATOM 493 C7 DT B 16 18.585 32.484 26.939 1.00 0.00 C ATOM 494 C6 DT B 16 20.981 32.909 26.402 1.00 0.00 C ATOM 0 H5' DT B 16 21.946 33.515 21.758 1.00 0.00 H new ATOM 0 H5'' DT B 16 22.551 31.877 21.612 1.00 0.00 H new ATOM 0 H4' DT B 16 24.046 33.318 22.856 1.00 0.00 H new ATOM 0 H3' DT B 16 22.917 30.846 24.257 1.00 0.00 H new ATOM 0 H2' DT B 16 23.914 31.550 26.297 1.00 0.00 H new ATOM 0 H2'' DT B 16 25.175 32.443 25.470 1.00 0.00 H new ATOM 0 H1' DT B 16 23.971 34.312 25.962 1.00 0.00 H new ATOM 0 H3 DT B 16 21.637 34.573 29.701 1.00 0.00 H new ATOM 0 H71 DT B 16 18.449 32.509 25.858 1.00 0.00 H new ATOM 0 H72 DT B 16 18.503 31.456 27.291 1.00 0.00 H new ATOM 0 H73 DT B 16 17.816 33.093 27.415 1.00 0.00 H new ATOM 0 H6 DT B 16 20.822 32.374 25.477 1.00 0.00 H new ATOM 507 P DG B 17 24.786 29.563 22.872 1.00 0.00 P ATOM 508 OP1 DG B 17 25.521 29.565 21.583 1.00 0.00 O ATOM 509 OP2 DG B 17 23.427 28.973 22.918 1.00 0.00 O ATOM 510 O5' DG B 17 25.686 28.806 23.968 1.00 0.00 O ATOM 511 C5' DG B 17 27.064 29.111 24.117 1.00 0.00 C ATOM 512 C4' DG B 17 27.751 28.368 25.272 1.00 0.00 C ATOM 513 O4' DG B 17 27.252 28.777 26.540 1.00 0.00 O ATOM 514 C3' DG B 17 27.642 26.840 25.231 1.00 0.00 C ATOM 515 O3' DG B 17 28.907 26.330 25.654 1.00 0.00 O ATOM 516 C2' DG B 17 26.427 26.602 26.135 1.00 0.00 C ATOM 517 C1' DG B 17 26.372 27.803 27.086 1.00 0.00 C ATOM 518 N9 DG B 17 25.007 28.388 27.289 1.00 0.00 N ATOM 519 C8 DG B 17 23.939 28.475 26.421 1.00 0.00 C ATOM 520 N7 DG B 17 22.912 29.145 26.878 1.00 0.00 N ATOM 521 C5 DG B 17 23.307 29.509 28.170 1.00 0.00 C ATOM 522 C6 DG B 17 22.644 30.273 29.202 1.00 0.00 C ATOM 523 O6 DG B 17 21.565 30.865 29.175 1.00 0.00 O ATOM 524 N1 DG B 17 23.349 30.331 30.386 1.00 0.00 N ATOM 525 C2 DG B 17 24.552 29.748 30.566 1.00 0.00 C ATOM 526 N2 DG B 17 25.095 29.842 31.744 1.00 0.00 N ATOM 527 N3 DG B 17 25.238 29.114 29.621 1.00 0.00 N ATOM 528 C4 DG B 17 24.564 29.011 28.439 1.00 0.00 C ATOM 0 H5' DG B 17 27.172 30.184 24.275 1.00 0.00 H new ATOM 0 H5'' DG B 17 27.580 28.872 23.187 1.00 0.00 H new ATOM 0 H4' DG B 17 28.798 28.640 25.137 1.00 0.00 H new ATOM 0 H3' DG B 17 27.471 26.335 24.280 1.00 0.00 H new ATOM 0 H2' DG B 17 25.512 26.526 25.548 1.00 0.00 H new ATOM 0 H2'' DG B 17 26.529 25.669 26.689 1.00 0.00 H new ATOM 0 H1' DG B 17 26.665 27.469 28.081 1.00 0.00 H new ATOM 0 H8 DG B 17 23.949 28.025 25.439 1.00 0.00 H new ATOM 0 H1 DG B 17 22.939 30.842 31.167 1.00 0.00 H new ATOM 0 H21 DG B 17 26.004 29.415 31.922 1.00 0.00 H new ATOM 0 H22 DG B 17 24.612 30.343 32.490 1.00 0.00 H new ATOM 540 P DT B 18 29.196 24.828 26.172 1.00 0.00 P ATOM 541 OP1 DT B 18 30.596 24.490 25.810 1.00 0.00 O ATOM 542 OP2 DT B 18 28.106 23.921 25.738 1.00 0.00 O ATOM 543 O5' DT B 18 29.119 25.024 27.768 1.00 0.00 O ATOM 544 C5' DT B 18 30.020 25.923 28.413 1.00 0.00 C ATOM 545 C4' DT B 18 29.759 26.108 29.912 1.00 0.00 C ATOM 546 O4' DT B 18 28.425 26.553 30.098 1.00 0.00 O ATOM 547 C3' DT B 18 29.954 24.836 30.748 1.00 0.00 C ATOM 548 O3' DT B 18 30.658 25.161 31.945 1.00 0.00 O ATOM 549 C2' DT B 18 28.518 24.393 31.011 1.00 0.00 C ATOM 550 C1' DT B 18 27.780 25.731 31.053 1.00 0.00 C ATOM 551 N1 DT B 18 26.334 25.701 30.705 1.00 0.00 N ATOM 552 C2 DT B 18 25.442 26.385 31.545 1.00 0.00 C ATOM 553 O2 DT B 18 25.724 26.792 32.670 1.00 0.00 O ATOM 554 N3 DT B 18 24.171 26.595 31.068 1.00 0.00 N ATOM 555 C4 DT B 18 23.723 26.211 29.828 1.00 0.00 C ATOM 556 O4 DT B 18 22.628 26.612 29.450 1.00 0.00 O ATOM 557 C5 DT B 18 24.630 25.345 29.078 1.00 0.00 C ATOM 558 C7 DT B 18 24.153 24.680 27.798 1.00 0.00 C ATOM 559 C6 DT B 18 25.897 25.135 29.521 1.00 0.00 C ATOM 0 H5' DT B 18 29.959 26.895 27.923 1.00 0.00 H new ATOM 0 H5'' DT B 18 31.038 25.560 28.275 1.00 0.00 H new ATOM 0 H4' DT B 18 30.494 26.835 30.257 1.00 0.00 H new ATOM 0 H3' DT B 18 30.542 24.052 30.270 1.00 0.00 H new ATOM 0 H2' DT B 18 28.140 23.742 30.222 1.00 0.00 H new ATOM 0 H2'' DT B 18 28.424 23.845 31.949 1.00 0.00 H new ATOM 0 H1' DT B 18 27.817 26.078 32.086 1.00 0.00 H new ATOM 0 H3 DT B 18 23.510 27.072 31.681 1.00 0.00 H new ATOM 0 H71 DT B 18 23.080 24.500 27.859 1.00 0.00 H new ATOM 0 H72 DT B 18 24.364 25.331 26.949 1.00 0.00 H new ATOM 0 H73 DT B 18 24.673 23.731 27.666 1.00 0.00 H new ATOM 0 H6 DT B 18 26.570 24.520 28.943 1.00 0.00 H new ATOM 572 P DA B 19 31.551 24.071 32.744 1.00 0.00 P ATOM 573 OP1 DA B 19 32.551 24.812 33.553 1.00 0.00 O ATOM 574 OP2 DA B 19 32.038 23.049 31.785 1.00 0.00 O ATOM 575 O5' DA B 19 30.502 23.358 33.742 1.00 0.00 O ATOM 576 C5' DA B 19 30.160 23.959 34.984 1.00 0.00 C ATOM 577 C4' DA B 19 28.795 23.520 35.523 1.00 0.00 C ATOM 578 O4' DA B 19 27.767 23.874 34.614 1.00 0.00 O ATOM 579 C3' DA B 19 28.625 22.031 35.857 1.00 0.00 C ATOM 580 O3' DA B 19 28.705 21.870 37.274 1.00 0.00 O ATOM 581 C2' DA B 19 27.245 21.725 35.259 1.00 0.00 C ATOM 582 C1' DA B 19 26.643 23.091 34.936 1.00 0.00 C ATOM 583 N9 DA B 19 25.739 23.076 33.769 1.00 0.00 N ATOM 584 C8 DA B 19 26.014 22.598 32.510 1.00 0.00 C ATOM 585 N7 DA B 19 25.063 22.786 31.639 1.00 0.00 N ATOM 586 C5 DA B 19 24.069 23.416 32.402 1.00 0.00 C ATOM 587 C6 DA B 19 22.776 23.907 32.119 1.00 0.00 C ATOM 588 N6 DA B 19 22.219 23.851 30.929 1.00 0.00 N ATOM 589 N1 DA B 19 22.037 24.510 33.048 1.00 0.00 N ATOM 590 C2 DA B 19 22.554 24.616 34.265 1.00 0.00 C ATOM 591 N3 DA B 19 23.747 24.206 34.693 1.00 0.00 N ATOM 592 C4 DA B 19 24.468 23.607 33.697 1.00 0.00 C ATOM 0 H5' DA B 19 30.163 25.043 34.867 1.00 0.00 H new ATOM 0 H5'' DA B 19 30.927 23.715 35.719 1.00 0.00 H new ATOM 0 H4' DA B 19 28.728 24.051 36.473 1.00 0.00 H new ATOM 0 H3' DA B 19 29.380 21.353 35.460 1.00 0.00 H new ATOM 0 H2' DA B 19 27.331 21.110 34.363 1.00 0.00 H new ATOM 0 H2'' DA B 19 26.622 21.176 35.965 1.00 0.00 H new ATOM 0 H1' DA B 19 26.043 23.451 35.771 1.00 0.00 H new ATOM 0 H8 DA B 19 26.943 22.106 32.263 1.00 0.00 H new ATOM 0 H61 DA B 19 21.280 24.224 30.787 1.00 0.00 H new ATOM 0 H62 DA B 19 22.726 23.435 30.148 1.00 0.00 H new ATOM 0 H2 DA B 19 21.928 25.096 35.003 1.00 0.00 H new ATOM 604 P DC B 20 28.416 20.478 38.047 1.00 0.00 P ATOM 605 OP1 DC B 20 29.138 20.517 39.342 1.00 0.00 O ATOM 606 OP2 DC B 20 28.669 19.347 37.120 1.00 0.00 O ATOM 607 O5' DC B 20 26.833 20.541 38.349 1.00 0.00 O ATOM 608 C5' DC B 20 26.279 21.617 39.101 1.00 0.00 C ATOM 609 C4' DC B 20 24.746 21.694 39.018 1.00 0.00 C ATOM 610 O4' DC B 20 24.344 21.809 37.654 1.00 0.00 O ATOM 611 C3' DC B 20 24.029 20.477 39.621 1.00 0.00 C ATOM 612 O3' DC B 20 22.951 20.912 40.448 1.00 0.00 O ATOM 613 C2' DC B 20 23.561 19.739 38.368 1.00 0.00 C ATOM 614 C1' DC B 20 23.285 20.900 37.408 1.00 0.00 C ATOM 615 N1 DC B 20 23.282 20.551 35.955 1.00 0.00 N ATOM 616 C2 DC B 20 22.242 21.014 35.134 1.00 0.00 C ATOM 617 O2 DC B 20 21.236 21.562 35.590 1.00 0.00 O ATOM 618 N3 DC B 20 22.301 20.872 33.785 1.00 0.00 N ATOM 619 C4 DC B 20 23.360 20.290 33.264 1.00 0.00 C ATOM 620 N4 DC B 20 23.382 20.182 31.968 1.00 0.00 N ATOM 621 C5 DC B 20 24.430 19.769 34.037 1.00 0.00 C ATOM 622 C6 DC B 20 24.352 19.906 35.384 1.00 0.00 C ATOM 0 H5' DC B 20 26.702 22.556 38.744 1.00 0.00 H new ATOM 0 H5'' DC B 20 26.574 21.511 40.145 1.00 0.00 H new ATOM 0 H4' DC B 20 24.461 22.568 39.603 1.00 0.00 H new ATOM 0 H3' DC B 20 24.639 19.848 40.270 1.00 0.00 H new ATOM 0 H2' DC B 20 24.324 19.062 37.983 1.00 0.00 H new ATOM 0 H2'' DC B 20 22.669 19.141 38.554 1.00 0.00 H new ATOM 0 H1' DC B 20 22.281 21.280 37.595 1.00 0.00 H new ATOM 0 H41 DC B 20 24.177 19.740 31.507 1.00 0.00 H new ATOM 0 H42 DC B 20 22.604 20.539 31.413 1.00 0.00 H new ATOM 0 H5 DC B 20 25.274 19.282 33.571 1.00 0.00 H new ATOM 0 H6 DC B 20 25.135 19.506 36.011 1.00 0.00 H new ATOM 634 P DA B 21 22.283 19.964 41.577 1.00 0.00 P ATOM 635 OP1 DA B 21 21.572 20.839 42.543 1.00 0.00 O ATOM 636 OP2 DA B 21 23.312 19.027 42.095 1.00 0.00 O ATOM 637 O5' DA B 21 21.187 19.107 40.762 1.00 0.00 O ATOM 638 C5' DA B 21 19.970 19.714 40.349 1.00 0.00 C ATOM 639 C4' DA B 21 19.295 19.008 39.170 1.00 0.00 C ATOM 640 O4' DA B 21 20.130 19.034 38.020 1.00 0.00 O ATOM 641 C3' DA B 21 18.841 17.558 39.395 1.00 0.00 C ATOM 642 O3' DA B 21 17.414 17.506 39.374 1.00 0.00 O ATOM 643 C2' DA B 21 19.497 16.830 38.216 1.00 0.00 C ATOM 644 C1' DA B 21 19.743 17.951 37.208 1.00 0.00 C ATOM 645 N9 DA B 21 20.812 17.650 36.226 1.00 0.00 N ATOM 646 C8 DA B 21 22.076 17.156 36.453 1.00 0.00 C ATOM 647 N7 DA B 21 22.782 16.953 35.370 1.00 0.00 N ATOM 648 C5 DA B 21 21.909 17.359 34.349 1.00 0.00 C ATOM 649 C6 DA B 21 21.978 17.421 32.933 1.00 0.00 C ATOM 650 N6 DA B 21 23.012 17.060 32.197 1.00 0.00 N ATOM 651 N1 DA B 21 20.960 17.891 32.214 1.00 0.00 N ATOM 652 C2 DA B 21 19.881 18.305 32.855 1.00 0.00 C ATOM 653 N3 DA B 21 19.657 18.302 34.163 1.00 0.00 N ATOM 654 C4 DA B 21 20.719 17.809 34.861 1.00 0.00 C ATOM 0 H5' DA B 21 20.167 20.751 40.075 1.00 0.00 H new ATOM 0 H5'' DA B 21 19.280 19.733 41.192 1.00 0.00 H new ATOM 0 H4' DA B 21 18.381 19.587 39.036 1.00 0.00 H new ATOM 0 H3' DA B 21 19.124 17.114 40.349 1.00 0.00 H new ATOM 0 H2' DA B 21 20.426 16.342 38.510 1.00 0.00 H new ATOM 0 H2'' DA B 21 18.846 16.057 37.808 1.00 0.00 H new ATOM 0 H1' DA B 21 18.857 18.129 36.599 1.00 0.00 H new ATOM 0 H8 DA B 21 22.454 16.952 37.444 1.00 0.00 H new ATOM 0 H61 DA B 21 22.968 17.141 31.181 1.00 0.00 H new ATOM 0 H62 DA B 21 23.855 16.700 32.644 1.00 0.00 H new ATOM 0 H2 DA B 21 19.084 18.693 32.239 1.00 0.00 H new ATOM 666 P DT B 22 16.579 16.169 39.733 1.00 0.00 P ATOM 667 OP1 DT B 22 15.310 16.589 40.381 1.00 0.00 O ATOM 668 OP2 DT B 22 17.467 15.224 40.456 1.00 0.00 O ATOM 669 O5' DT B 22 16.240 15.533 38.289 1.00 0.00 O ATOM 670 C5' DT B 22 15.106 15.969 37.544 1.00 0.00 C ATOM 671 C4' DT B 22 15.098 15.486 36.090 1.00 0.00 C ATOM 672 O4' DT B 22 16.224 15.994 35.389 1.00 0.00 O ATOM 673 C3' DT B 22 15.178 13.965 35.927 1.00 0.00 C ATOM 674 O3' DT B 22 13.915 13.327 36.085 1.00 0.00 O ATOM 675 C2' DT B 22 15.664 13.885 34.482 1.00 0.00 C ATOM 676 C1' DT B 22 16.409 15.196 34.235 1.00 0.00 C ATOM 677 N1 DT B 22 17.853 14.976 33.978 1.00 0.00 N ATOM 678 C2 DT B 22 18.302 15.075 32.657 1.00 0.00 C ATOM 679 O2 DT B 22 17.584 15.386 31.707 1.00 0.00 O ATOM 680 N3 DT B 22 19.626 14.791 32.440 1.00 0.00 N ATOM 681 C4 DT B 22 20.542 14.411 33.392 1.00 0.00 C ATOM 682 O4 DT B 22 21.704 14.221 33.036 1.00 0.00 O ATOM 683 C5 DT B 22 20.002 14.288 34.747 1.00 0.00 C ATOM 684 C7 DT B 22 20.891 13.842 35.893 1.00 0.00 C ATOM 685 C6 DT B 22 18.697 14.576 34.995 1.00 0.00 C ATOM 0 H5' DT B 22 15.073 17.058 37.555 1.00 0.00 H new ATOM 0 H5'' DT B 22 14.201 15.617 38.039 1.00 0.00 H new ATOM 0 H4' DT B 22 14.146 15.844 35.699 1.00 0.00 H new ATOM 0 H3' DT B 22 15.806 13.467 36.665 1.00 0.00 H new ATOM 0 H2' DT B 22 16.319 13.026 34.334 1.00 0.00 H new ATOM 0 H2'' DT B 22 14.828 13.771 33.792 1.00 0.00 H new ATOM 0 H1' DT B 22 16.015 15.686 33.345 1.00 0.00 H new ATOM 0 H3 DT B 22 19.963 14.869 31.481 1.00 0.00 H new ATOM 0 H71 DT B 22 20.540 14.292 36.822 1.00 0.00 H new ATOM 0 H72 DT B 22 20.855 12.756 35.980 1.00 0.00 H new ATOM 0 H73 DT B 22 21.917 14.157 35.702 1.00 0.00 H new ATOM 0 H6 DT B 22 18.315 14.491 36.002 1.00 0.00 H new ATOM 698 P DC B 23 13.774 11.721 36.210 1.00 0.00 P ATOM 699 OP1 DC B 23 12.352 11.416 36.509 1.00 0.00 O ATOM 700 OP2 DC B 23 14.818 11.224 37.139 1.00 0.00 O ATOM 701 O5' DC B 23 14.110 11.163 34.734 1.00 0.00 O ATOM 702 C5' DC B 23 13.276 11.474 33.623 1.00 0.00 C ATOM 703 C4' DC B 23 13.923 11.140 32.268 1.00 0.00 C ATOM 704 O4' DC B 23 15.230 11.715 32.157 1.00 0.00 O ATOM 705 C3' DC B 23 14.058 9.629 32.011 1.00 0.00 C ATOM 706 O3' DC B 23 13.530 9.341 30.719 1.00 0.00 O ATOM 707 C2' DC B 23 15.566 9.422 32.125 1.00 0.00 C ATOM 708 C1' DC B 23 16.100 10.750 31.588 1.00 0.00 C ATOM 709 N1 DC B 23 17.530 10.999 31.947 1.00 0.00 N ATOM 710 C2 DC B 23 18.456 11.247 30.922 1.00 0.00 C ATOM 711 O2 DC B 23 18.112 11.452 29.758 1.00 0.00 O ATOM 712 N3 DC B 23 19.786 11.263 31.175 1.00 0.00 N ATOM 713 C4 DC B 23 20.191 11.085 32.414 1.00 0.00 C ATOM 714 N4 DC B 23 21.479 11.088 32.590 1.00 0.00 N ATOM 715 C5 DC B 23 19.304 10.928 33.514 1.00 0.00 C ATOM 716 C6 DC B 23 17.974 10.890 33.245 1.00 0.00 C ATOM 0 H5' DC B 23 13.028 12.535 33.648 1.00 0.00 H new ATOM 0 H5'' DC B 23 12.339 10.926 33.716 1.00 0.00 H new ATOM 0 H4' DC B 23 13.247 11.564 31.526 1.00 0.00 H new ATOM 0 H3' DC B 23 13.517 8.971 32.690 1.00 0.00 H new ATOM 0 H2' DC B 23 15.878 9.241 33.154 1.00 0.00 H new ATOM 0 H2'' DC B 23 15.909 8.573 31.533 1.00 0.00 H new ATOM 0 H1' DC B 23 16.107 10.774 30.498 1.00 0.00 H new ATOM 0 H41 DC B 23 21.866 10.956 33.524 1.00 0.00 H new ATOM 0 H42 DC B 23 22.102 11.223 31.794 1.00 0.00 H new ATOM 0 H5 DC B 23 19.674 10.842 34.525 1.00 0.00 H new ATOM 0 H6 DC B 23 17.264 10.774 34.050 1.00 0.00 H new ATOM 728 P DG B 24 13.445 7.850 30.114 1.00 0.00 P ATOM 729 OP1 DG B 24 12.312 7.805 29.157 1.00 0.00 O ATOM 730 OP2 DG B 24 13.485 6.867 31.226 1.00 0.00 O ATOM 731 O5' DG B 24 14.820 7.734 29.286 1.00 0.00 O ATOM 732 C5' DG B 24 15.049 8.544 28.138 1.00 0.00 C ATOM 733 C4' DG B 24 16.423 8.308 27.498 1.00 0.00 C ATOM 734 O4' DG B 24 17.462 8.739 28.376 1.00 0.00 O ATOM 735 C3' DG B 24 16.691 6.826 27.160 1.00 0.00 C ATOM 736 O3' DG B 24 17.289 6.684 25.872 1.00 0.00 O ATOM 737 C2' DG B 24 17.689 6.440 28.248 1.00 0.00 C ATOM 738 C1' DG B 24 18.469 7.747 28.352 1.00 0.00 C ATOM 739 N9 DG B 24 19.354 7.810 29.535 1.00 0.00 N ATOM 740 C8 DG B 24 19.045 7.691 30.869 1.00 0.00 C ATOM 741 N7 DG B 24 20.085 7.733 31.665 1.00 0.00 N ATOM 742 C5 DG B 24 21.171 7.879 30.787 1.00 0.00 C ATOM 743 C6 DG B 24 22.596 7.958 31.010 1.00 0.00 C ATOM 744 O6 DG B 24 23.223 7.935 32.073 1.00 0.00 O ATOM 745 N1 DG B 24 23.334 8.049 29.844 1.00 0.00 N ATOM 746 C2 DG B 24 22.781 8.060 28.606 1.00 0.00 C ATOM 747 N2 DG B 24 23.589 8.111 27.585 1.00 0.00 N ATOM 748 N3 DG B 24 21.481 8.002 28.347 1.00 0.00 N ATOM 749 C4 DG B 24 20.724 7.914 29.482 1.00 0.00 C ATOM 0 H5' DG B 24 14.961 9.594 28.418 1.00 0.00 H new ATOM 0 H5'' DG B 24 14.272 8.345 27.400 1.00 0.00 H new ATOM 0 H4' DG B 24 16.416 8.882 26.572 1.00 0.00 H new ATOM 0 H3' DG B 24 15.788 6.216 27.130 1.00 0.00 H new ATOM 0 H2' DG B 24 17.203 6.167 29.185 1.00 0.00 H new ATOM 0 H2'' DG B 24 18.319 5.599 27.959 1.00 0.00 H new ATOM 0 HO3' DG B 24 17.448 5.735 25.688 1.00 0.00 H new ATOM 0 H1' DG B 24 19.163 7.872 27.521 1.00 0.00 H new ATOM 0 H8 DG B 24 18.034 7.573 31.229 1.00 0.00 H new ATOM 0 H1 DG B 24 24.349 8.111 29.919 1.00 0.00 H new ATOM 0 H21 DG B 24 23.213 8.121 26.637 1.00 0.00 H new ATOM 0 H22 DG B 24 24.598 8.141 27.734 1.00 0.00 H new TER 762 DG B 24 HETATM 763 O81 9U2 A 100 15.544 25.333 38.359 1.00 0.00 O HETATM 764 C81 9U2 A 100 16.137 24.867 37.396 1.00 0.00 C HETATM 765 C82 9U2 A 100 15.549 23.877 36.426 1.00 0.00 C HETATM 766 C84 9U2 A 100 14.240 23.390 36.435 1.00 0.00 C HETATM 767 C85 9U2 A 100 13.090 23.711 37.387 1.00 0.00 C HETATM 768 S81 9U2 A 100 13.935 22.330 35.080 1.00 0.00 S HETATM 769 C83 9U2 A 100 15.592 22.560 34.598 1.00 0.00 C HETATM 770 N81 9U2 A 100 16.304 23.359 35.373 1.00 0.00 N HETATM 771 CM8 9U2 A 100 12.568 25.164 37.290 1.00 0.00 C HETATM 772 CM9 9U2 A 100 13.279 23.231 38.848 1.00 0.00 C HETATM 781 N PYB A 101 17.444 25.259 37.100 1.00 0.00 N HETATM 782 CA PYB A 101 18.272 26.077 37.866 1.00 0.00 C HETATM 783 CB1 PYB A 101 19.559 26.545 37.488 1.00 0.00 C HETATM 784 CB PYB A 101 18.002 26.518 39.135 1.00 0.00 C HETATM 785 CG1 PYB A 101 20.073 27.244 38.559 1.00 0.00 C HETATM 786 NG2 PYB A 101 19.086 27.269 39.554 1.00 0.00 N HETATM 787 CD PYB A 101 19.092 27.985 40.838 1.00 0.00 C HETATM 788 C PYB A 101 21.426 27.819 38.806 1.00 0.00 C HETATM 789 O PYB A 101 21.772 28.180 39.924 1.00 0.00 O HETATM 0 HD3 PYB A 101 18.276 28.708 40.855 1.00 0.00 H new HETATM 0 HD2 PYB A 101 18.963 27.272 41.653 1.00 0.00 H new HETATM 0 HD1 PYB A 101 20.041 28.506 40.959 1.00 0.00 H new HETATM 0 HB1 PYB A 101 20.049 26.382 36.528 1.00 0.00 H new HETATM 0 HB PYB A 101 17.098 26.314 39.709 1.00 0.00 H new HETATM 0 H PYB A 101 17.749 24.944 36.179 1.00 0.00 H new HETATM 796 N PYB A 102 22.275 27.945 37.715 1.00 0.00 N HETATM 797 CA PYB A 102 23.609 28.357 37.781 1.00 0.00 C HETATM 798 CB1 PYB A 102 24.365 28.920 36.723 1.00 0.00 C HETATM 799 CB PYB A 102 24.403 28.321 38.900 1.00 0.00 C HETATM 800 CG1 PYB A 102 25.603 29.260 37.226 1.00 0.00 C HETATM 801 NG2 PYB A 102 25.641 28.847 38.563 1.00 0.00 N HETATM 802 CD PYB A 102 26.747 28.947 39.527 1.00 0.00 C HETATM 803 C PYB A 102 26.769 29.930 36.580 1.00 0.00 C HETATM 804 O PYB A 102 27.856 30.073 37.124 1.00 0.00 O HETATM 0 HD3 PYB A 102 26.443 29.574 40.366 1.00 0.00 H new HETATM 0 HD2 PYB A 102 27.003 27.952 39.891 1.00 0.00 H new HETATM 0 HD1 PYB A 102 27.616 29.389 39.039 1.00 0.00 H new HETATM 0 HB1 PYB A 102 24.028 29.059 35.696 1.00 0.00 H new HETATM 0 HB PYB A 102 24.112 27.945 39.881 1.00 0.00 H new HETATM 0 H PYB A 102 21.755 28.039 36.843 1.00 0.00 H new HETATM 811 N PYB A 103 26.519 30.439 35.319 1.00 0.00 N HETATM 812 CA PYB A 103 27.416 31.107 34.492 1.00 0.00 C HETATM 813 CB1 PYB A 103 27.021 31.837 33.355 1.00 0.00 C HETATM 814 CB PYB A 103 28.781 31.191 34.614 1.00 0.00 C HETATM 815 CG1 PYB A 103 28.155 32.319 32.751 1.00 0.00 C HETATM 816 NG2 PYB A 103 29.245 31.950 33.542 1.00 0.00 N HETATM 817 CD PYB A 103 30.659 32.284 33.326 1.00 0.00 C HETATM 818 C PYB A 103 28.286 33.020 31.452 1.00 0.00 C HETATM 819 O PYB A 103 29.334 33.326 30.906 1.00 0.00 O HETATM 0 HD3 PYB A 103 31.034 32.850 34.179 1.00 0.00 H new HETATM 0 HD2 PYB A 103 31.237 31.366 33.217 1.00 0.00 H new HETATM 0 HD1 PYB A 103 30.757 32.884 32.421 1.00 0.00 H new HETATM 0 HB1 PYB A 103 25.997 31.992 33.015 1.00 0.00 H new HETATM 0 HB PYB A 103 29.388 30.747 35.403 1.00 0.00 H new HETATM 0 H PYB A 103 25.520 30.464 35.113 1.00 0.00 H new HETATM 826 N ABU A 104 27.069 33.287 30.881 1.00 0.00 N HETATM 827 CA ABU A 104 26.854 33.727 29.501 1.00 0.00 C HETATM 828 CB ABU A 104 26.212 32.606 28.662 1.00 0.00 C HETATM 829 CG ABU A 104 27.199 31.644 27.955 1.00 0.00 C HETATM 830 CD ABU A 104 28.293 30.989 28.813 1.00 0.00 C HETATM 831 OE1 ABU A 104 29.472 31.150 28.543 1.00 0.00 O HETATM 0 H ABU A 104 26.197 33.193 31.402 1.00 0.00 H new HETATM 0 HB1 ABU A 104 25.563 32.018 29.311 1.00 0.00 H new HETATM 0 HB2 ABU A 104 25.575 33.064 27.905 1.00 0.00 H new HETATM 0 HG1 ABU A 104 26.639 30.896 27.394 1.00 0.00 H new HETATM 0 HG2 ABU A 104 27.833 32.210 27.272 1.00 0.00 H new HETATM 0 HE2 ABU A 104 27.821 31.148 28.700 1.00 0.00 H new HETATM 839 N IMT A 105 27.856 30.223 29.870 1.00 0.00 N HETATM 840 CA IMT A 105 28.575 29.614 30.869 1.00 0.00 C HETATM 841 NB1 IMT A 105 28.017 28.950 31.934 1.00 0.00 N HETATM 842 CB IMT A 105 29.941 29.627 30.963 1.00 0.00 C HETATM 843 CG1 IMT A 105 29.049 28.582 32.697 1.00 0.00 C HETATM 844 NG2 IMT A 105 30.261 28.961 32.123 1.00 0.00 N HETATM 845 CD IMT A 105 31.636 28.712 32.581 1.00 0.00 C HETATM 846 C IMT A 105 29.034 27.896 34.043 1.00 0.00 C HETATM 847 O IMT A 105 30.035 27.750 34.738 1.00 0.00 O HETATM 0 HN2 IMT A 105 26.836 30.200 29.889 1.00 0.00 H new HETATM 0 HD3 IMT A 105 32.167 28.121 31.834 1.00 0.00 H new HETATM 0 HD2 IMT A 105 32.150 29.663 32.724 1.00 0.00 H new HETATM 0 HD1 IMT A 105 31.612 28.167 33.525 1.00 0.00 H new HETATM 0 HB IMT A 105 30.638 30.077 30.257 1.00 0.00 H new HETATM 853 N PYB A 106 27.793 27.431 34.475 1.00 0.00 N HETATM 854 CA PYB A 106 27.493 26.824 35.695 1.00 0.00 C HETATM 855 CB1 PYB A 106 26.232 26.275 36.044 1.00 0.00 C HETATM 856 CB PYB A 106 28.339 26.682 36.764 1.00 0.00 C HETATM 857 CG1 PYB A 106 26.323 25.811 37.338 1.00 0.00 C HETATM 858 NG2 PYB A 106 27.639 26.023 37.766 1.00 0.00 N HETATM 859 CD PYB A 106 28.277 25.570 39.012 1.00 0.00 C HETATM 860 C PYB A 106 25.283 25.266 38.256 1.00 0.00 C HETATM 861 O PYB A 106 25.490 25.085 39.449 1.00 0.00 O HETATM 0 HD3 PYB A 106 29.074 24.865 38.777 1.00 0.00 H new HETATM 0 HD2 PYB A 106 28.695 26.428 39.540 1.00 0.00 H new HETATM 0 HD1 PYB A 106 27.535 25.081 39.644 1.00 0.00 H new HETATM 0 HB1 PYB A 106 25.351 26.229 35.404 1.00 0.00 H new HETATM 0 HB PYB A 106 29.373 27.024 36.818 1.00 0.00 H new HETATM 0 H PYB A 106 27.077 27.505 33.752 1.00 0.00 H new HETATM 868 N PYB A 107 24.056 24.976 37.683 1.00 0.00 N HETATM 869 CA PYB A 107 22.896 24.639 38.378 1.00 0.00 C HETATM 870 CB1 PYB A 107 21.779 23.964 37.829 1.00 0.00 C HETATM 871 CB PYB A 107 22.640 24.897 39.700 1.00 0.00 C HETATM 872 CG1 PYB A 107 20.862 23.784 38.838 1.00 0.00 C HETATM 873 NG2 PYB A 107 21.370 24.410 39.982 1.00 0.00 N HETATM 874 CD PYB A 107 20.733 24.557 41.299 1.00 0.00 C HETATM 875 C PYB A 107 19.547 23.078 38.839 1.00 0.00 C HETATM 876 O PYB A 107 18.778 23.089 39.791 1.00 0.00 O HETATM 0 HD3 PYB A 107 21.345 24.067 42.056 1.00 0.00 H new HETATM 0 HD2 PYB A 107 20.637 25.616 41.540 1.00 0.00 H new HETATM 0 HD1 PYB A 107 19.745 24.098 41.278 1.00 0.00 H new HETATM 0 HB1 PYB A 107 21.666 23.644 36.793 1.00 0.00 H new HETATM 0 HB PYB A 107 23.310 25.393 40.401 1.00 0.00 H new HETATM 0 H PYB A 107 24.148 24.735 36.696 1.00 0.00 H new HETATM 883 N PYB A 108 19.274 22.350 37.693 1.00 0.00 N HETATM 884 CA PYB A 108 18.140 21.583 37.435 1.00 0.00 C HETATM 885 CB1 PYB A 108 18.005 20.720 36.324 1.00 0.00 C HETATM 886 CB PYB A 108 16.996 21.495 38.191 1.00 0.00 C HETATM 887 CG1 PYB A 108 16.754 20.157 36.374 1.00 0.00 C HETATM 888 NG2 PYB A 108 16.169 20.558 37.578 1.00 0.00 N HETATM 889 CD PYB A 108 14.932 20.049 38.179 1.00 0.00 C HETATM 890 C PYB A 108 16.032 19.356 35.351 1.00 0.00 C HETATM 891 O PYB A 108 14.887 18.947 35.462 1.00 0.00 O HETATM 0 HD3 PYB A 108 15.162 19.562 39.127 1.00 0.00 H new HETATM 0 HD2 PYB A 108 14.245 20.877 38.354 1.00 0.00 H new HETATM 0 HD1 PYB A 108 14.469 19.329 37.504 1.00 0.00 H new HETATM 0 HB1 PYB A 108 18.761 20.534 35.561 1.00 0.00 H new HETATM 0 HB PYB A 108 16.777 22.054 39.101 1.00 0.00 H new HETATM 0 H PYB A 108 20.073 22.308 37.060 1.00 0.00 H new HETATM 898 C01 9T8 A 109 11.415 18.851 26.674 1.00 0.00 C HETATM 899 N02 9T8 A 109 15.641 18.004 29.932 1.00 0.00 N HETATM 900 C03 9T8 A 109 13.222 17.692 27.922 1.00 0.00 C HETATM 901 C05 9T8 A 109 15.127 16.748 29.362 1.00 0.00 C HETATM 902 C06 9T8 A 109 14.940 18.756 30.847 1.00 0.00 C HETATM 903 C07 9T8 A 109 15.785 19.472 31.892 1.00 0.00 C HETATM 904 C04 9T8 A 109 14.540 16.897 27.941 1.00 0.00 C HETATM 905 N01 9T8 A 109 12.751 18.127 26.536 1.00 0.00 N HETATM 906 C02 9T8 A 109 12.578 16.933 25.597 1.00 0.00 C HETATM 907 N03 9T8 A 109 16.748 19.176 34.188 1.00 0.00 N HETATM 908 C08 9T8 A 109 16.226 18.492 32.996 1.00 0.00 C HETATM 909 O01 9T8 A 109 13.721 18.751 30.881 1.00 0.00 O