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= -0.469 (180deg=-0.469) 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= -0.0435 (180deg=-0.0435) USER MOD Single : B 18 DT C7 :methyl -30:sc= -1.34 (180deg=-1.87!) USER MOD Single : B 22 DT C7 :methyl 150:sc= -0.0132 (180deg=-0.0132) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 DCZ A 1 29.247 14.228 29.996 1.00 0.00 N HETATM 2 C2 DCZ A 1 28.863 14.287 31.350 1.00 0.00 C HETATM 3 N3 DCZ A 1 28.732 15.480 31.987 1.00 0.00 N HETATM 4 C4 DCZ A 1 28.969 16.578 31.304 1.00 0.00 C HETATM 5 C5 DCZ A 1 29.396 16.593 29.952 1.00 0.00 C HETATM 6 C6 DCZ A 1 29.534 15.397 29.325 1.00 0.00 C HETATM 7 O2 DCZ A 1 28.644 13.269 32.014 1.00 0.00 O HETATM 8 N4 DCZ A 1 28.800 17.693 31.952 1.00 0.00 N HETATM 9 C1' DCZ A 1 29.288 12.883 29.340 1.00 0.00 C HETATM 10 C2' DCZ A 1 29.263 12.843 27.808 1.00 0.00 C HETATM 11 C3' DCZ A 1 29.585 11.374 27.573 1.00 0.00 C HETATM 12 C4' DCZ A 1 30.581 11.096 28.716 1.00 0.00 C HETATM 13 O4' DCZ A 1 30.494 12.197 29.623 1.00 0.00 O HETATM 14 O3' DCZ A 1 28.411 10.581 27.723 1.00 0.00 O HETATM 15 C5' DCZ A 1 32.033 10.913 28.237 1.00 0.00 C HETATM 16 O5' DCZ A 1 32.547 12.057 27.555 1.00 0.00 O HETATM 0 HO51 DCZ A 1 33.470 11.884 27.276 1.00 0.00 H new HETATM 0 HN42 DCZ A 1 28.966 18.584 31.485 1.00 0.00 H new HETATM 0 HN41 DCZ A 1 28.502 17.676 32.927 1.00 0.00 H new HETATM 0 H5'2 DCZ A 1 32.668 10.694 29.096 1.00 0.00 H new HETATM 0 H5'1 DCZ A 1 32.084 10.049 27.574 1.00 0.00 H new HETATM 0 H2'2 DCZ A 1 28.293 13.127 27.400 1.00 0.00 H new HETATM 0 H2'1 DCZ A 1 30.003 13.508 27.362 1.00 0.00 H new HETATM 0 H6 DCZ A 1 29.872 15.361 28.289 1.00 0.00 H new HETATM 0 H5 DCZ A 1 29.606 17.530 29.436 1.00 0.00 H new HETATM 0 H4' DCZ A 1 30.313 10.152 29.190 1.00 0.00 H new HETATM 0 H3' DCZ A 1 29.971 11.148 26.579 1.00 0.00 H new HETATM 0 H1' DCZ A 1 28.377 12.445 29.748 1.00 0.00 H new ATOM 29 P DG A 2 27.537 10.088 26.459 1.00 0.00 P ATOM 30 OP1 DG A 2 26.625 9.032 26.962 1.00 0.00 O ATOM 31 OP2 DG A 2 28.455 9.758 25.341 1.00 0.00 O ATOM 32 O5' DG A 2 26.639 11.358 26.020 1.00 0.00 O ATOM 33 C5' DG A 2 25.549 11.188 25.118 1.00 0.00 C ATOM 34 C4' DG A 2 24.641 12.418 24.944 1.00 0.00 C ATOM 35 O4' DG A 2 24.088 12.792 26.206 1.00 0.00 O ATOM 36 C3' DG A 2 25.308 13.661 24.328 1.00 0.00 C ATOM 37 O3' DG A 2 24.387 14.227 23.394 1.00 0.00 O ATOM 38 C2' DG A 2 25.617 14.456 25.597 1.00 0.00 C ATOM 39 C1' DG A 2 24.442 14.133 26.521 1.00 0.00 C ATOM 40 N9 DG A 2 24.774 14.250 27.971 1.00 0.00 N ATOM 41 C8 DG A 2 26.000 14.437 28.567 1.00 0.00 C ATOM 42 N7 DG A 2 25.998 14.335 29.867 1.00 0.00 N ATOM 43 C5 DG A 2 24.649 14.134 30.172 1.00 0.00 C ATOM 44 C6 DG A 2 23.980 13.989 31.438 1.00 0.00 C ATOM 45 O6 DG A 2 24.460 13.919 32.568 1.00 0.00 O ATOM 46 N1 DG A 2 22.608 13.939 31.329 1.00 0.00 N ATOM 47 C2 DG A 2 21.943 13.958 30.149 1.00 0.00 C ATOM 48 N2 DG A 2 20.640 13.955 30.209 1.00 0.00 N ATOM 49 N3 DG A 2 22.521 14.015 28.950 1.00 0.00 N ATOM 50 C4 DG A 2 23.885 14.123 29.022 1.00 0.00 C ATOM 0 H5' DG A 2 24.940 10.353 25.464 1.00 0.00 H new ATOM 0 H5'' DG A 2 25.947 10.910 24.142 1.00 0.00 H new ATOM 0 H4' DG A 2 23.882 12.096 24.232 1.00 0.00 H new ATOM 0 H3' DG A 2 26.214 13.549 23.732 1.00 0.00 H new ATOM 0 H2' DG A 2 26.567 14.154 26.037 1.00 0.00 H new ATOM 0 H2'' DG A 2 25.685 15.525 25.394 1.00 0.00 H new ATOM 0 H1' DG A 2 23.633 14.846 26.362 1.00 0.00 H new ATOM 0 H8 DG A 2 26.895 14.652 28.002 1.00 0.00 H new ATOM 0 H1 DG A 2 22.060 13.884 32.188 1.00 0.00 H new ATOM 0 H21 DG A 2 20.090 13.969 29.350 1.00 0.00 H new ATOM 0 H22 DG A 2 20.171 13.939 31.115 1.00 0.00 H new ATOM 62 P DA A 3 24.372 15.767 22.911 1.00 0.00 P ATOM 63 OP1 DA A 3 23.664 15.828 21.608 1.00 0.00 O ATOM 64 OP2 DA A 3 25.736 16.343 23.012 1.00 0.00 O ATOM 65 O5' DA A 3 23.426 16.425 24.035 1.00 0.00 O ATOM 66 C5' DA A 3 22.080 15.977 24.177 1.00 0.00 C ATOM 67 C4' DA A 3 21.295 16.699 25.278 1.00 0.00 C ATOM 68 O4' DA A 3 21.885 16.454 26.551 1.00 0.00 O ATOM 69 C3' DA A 3 21.229 18.221 25.059 1.00 0.00 C ATOM 70 O3' DA A 3 19.902 18.744 24.901 1.00 0.00 O ATOM 71 C2' DA A 3 22.068 18.760 26.220 1.00 0.00 C ATOM 72 C1' DA A 3 21.937 17.663 27.284 1.00 0.00 C ATOM 73 N9 DA A 3 23.088 17.606 28.219 1.00 0.00 N ATOM 74 C8 DA A 3 24.430 17.682 27.924 1.00 0.00 C ATOM 75 N7 DA A 3 25.216 17.649 28.969 1.00 0.00 N ATOM 76 C5 DA A 3 24.314 17.519 30.035 1.00 0.00 C ATOM 77 C6 DA A 3 24.438 17.433 31.444 1.00 0.00 C ATOM 78 N6 DA A 3 25.575 17.475 32.107 1.00 0.00 N ATOM 79 N1 DA A 3 23.366 17.316 32.229 1.00 0.00 N ATOM 80 C2 DA A 3 22.176 17.250 31.650 1.00 0.00 C ATOM 81 N3 DA A 3 21.901 17.298 30.353 1.00 0.00 N ATOM 82 C4 DA A 3 23.020 17.458 29.587 1.00 0.00 C ATOM 0 H5' DA A 3 22.084 14.908 24.390 1.00 0.00 H new ATOM 0 H5'' DA A 3 21.561 16.111 23.228 1.00 0.00 H new ATOM 0 H4' DA A 3 20.281 16.302 25.240 1.00 0.00 H new ATOM 0 H3' DA A 3 21.633 18.551 24.102 1.00 0.00 H new ATOM 0 H2' DA A 3 23.107 18.916 25.928 1.00 0.00 H new ATOM 0 H2'' DA A 3 21.690 19.717 26.580 1.00 0.00 H new ATOM 0 H1' DA A 3 21.060 17.852 27.903 1.00 0.00 H new ATOM 0 H8 DA A 3 24.803 17.762 26.914 1.00 0.00 H new ATOM 0 H61 DA A 3 25.575 17.406 33.125 1.00 0.00 H new ATOM 0 H62 DA A 3 26.456 17.576 31.603 1.00 0.00 H new ATOM 0 H2 DA A 3 21.330 17.145 32.312 1.00 0.00 H new ATOM 94 P DT A 4 18.718 18.719 26.010 1.00 0.00 P ATOM 95 OP1 DT A 4 18.464 17.316 26.419 1.00 0.00 O ATOM 96 OP2 DT A 4 17.588 19.508 25.460 1.00 0.00 O ATOM 97 O5' DT A 4 19.321 19.517 27.261 1.00 0.00 O ATOM 98 C5' DT A 4 18.714 19.470 28.541 1.00 0.00 C ATOM 99 C4' DT A 4 19.452 20.368 29.539 1.00 0.00 C ATOM 100 O4' DT A 4 20.798 19.981 29.738 1.00 0.00 O ATOM 101 C3' DT A 4 19.586 21.813 29.071 1.00 0.00 C ATOM 102 O3' DT A 4 18.370 22.515 29.259 1.00 0.00 O ATOM 103 C2' DT A 4 20.718 22.318 29.972 1.00 0.00 C ATOM 104 C1' DT A 4 21.412 21.036 30.451 1.00 0.00 C ATOM 105 N1 DT A 4 22.892 21.011 30.276 1.00 0.00 N ATOM 106 C2 DT A 4 23.680 20.873 31.425 1.00 0.00 C ATOM 107 O2 DT A 4 23.220 20.837 32.565 1.00 0.00 O ATOM 108 N3 DT A 4 25.037 20.770 31.248 1.00 0.00 N ATOM 109 C4 DT A 4 25.690 20.764 30.034 1.00 0.00 C ATOM 110 O4 DT A 4 26.908 20.584 30.024 1.00 0.00 O ATOM 111 C5 DT A 4 24.819 20.963 28.870 1.00 0.00 C ATOM 112 C7 DT A 4 25.415 21.024 27.472 1.00 0.00 C ATOM 113 C6 DT A 4 23.471 21.081 29.024 1.00 0.00 C ATOM 0 H5' DT A 4 18.710 18.443 28.906 1.00 0.00 H new ATOM 0 H5'' DT A 4 17.674 19.786 28.464 1.00 0.00 H new ATOM 0 H4' DT A 4 18.840 20.272 30.436 1.00 0.00 H new ATOM 0 H3' DT A 4 19.800 21.940 28.010 1.00 0.00 H new ATOM 0 H2' DT A 4 21.405 22.963 29.425 1.00 0.00 H new ATOM 0 H2'' DT A 4 20.332 22.900 30.809 1.00 0.00 H new ATOM 0 H1' DT A 4 21.289 20.952 31.531 1.00 0.00 H new ATOM 0 H3 DT A 4 25.612 20.691 32.087 1.00 0.00 H new ATOM 0 H71 DT A 4 24.689 20.649 26.750 1.00 0.00 H new ATOM 0 H72 DT A 4 25.668 22.056 27.229 1.00 0.00 H new ATOM 0 H73 DT A 4 26.315 20.411 27.433 1.00 0.00 H new ATOM 0 H6 DT A 4 22.847 21.231 28.156 1.00 0.00 H new ATOM 126 P DG A 5 18.028 23.823 28.402 1.00 0.00 P ATOM 127 OP1 DG A 5 16.676 24.275 28.808 1.00 0.00 O ATOM 128 OP2 DG A 5 18.314 23.578 26.967 1.00 0.00 O ATOM 129 O5' DG A 5 19.110 24.853 28.974 1.00 0.00 O ATOM 130 C5' DG A 5 18.966 25.428 30.263 1.00 0.00 C ATOM 131 C4' DG A 5 20.208 26.219 30.689 1.00 0.00 C ATOM 132 O4' DG A 5 21.307 25.374 30.995 1.00 0.00 O ATOM 133 C3' DG A 5 20.749 27.147 29.594 1.00 0.00 C ATOM 134 O3' DG A 5 20.044 28.362 29.298 1.00 0.00 O ATOM 135 C2' DG A 5 22.203 27.338 30.026 1.00 0.00 C ATOM 136 C1' DG A 5 22.459 26.201 31.030 1.00 0.00 C ATOM 137 N9 DG A 5 23.691 25.398 30.792 1.00 0.00 N ATOM 138 C8 DG A 5 24.099 24.710 29.673 1.00 0.00 C ATOM 139 N7 DG A 5 25.238 24.075 29.817 1.00 0.00 N ATOM 140 C5 DG A 5 25.626 24.365 31.135 1.00 0.00 C ATOM 141 C6 DG A 5 26.777 23.986 31.931 1.00 0.00 C ATOM 142 O6 DG A 5 27.744 23.281 31.644 1.00 0.00 O ATOM 143 N1 DG A 5 26.765 24.512 33.210 1.00 0.00 N ATOM 144 C2 DG A 5 25.783 25.312 33.678 1.00 0.00 C ATOM 145 N2 DG A 5 25.904 25.783 34.884 1.00 0.00 N ATOM 146 N3 DG A 5 24.715 25.682 32.986 1.00 0.00 N ATOM 147 C4 DG A 5 24.681 25.177 31.723 1.00 0.00 C ATOM 0 H5' DG A 5 18.773 24.640 30.991 1.00 0.00 H new ATOM 0 H5'' DG A 5 18.098 26.087 30.269 1.00 0.00 H new ATOM 0 H4' DG A 5 19.856 26.782 31.553 1.00 0.00 H new ATOM 0 H3' DG A 5 20.616 26.692 28.612 1.00 0.00 H new ATOM 0 H2' DG A 5 22.881 27.276 29.175 1.00 0.00 H new ATOM 0 H2'' DG A 5 22.356 28.315 30.485 1.00 0.00 H new ATOM 0 H1' DG A 5 22.636 26.648 32.008 1.00 0.00 H new ATOM 0 H8 DG A 5 23.531 24.694 28.755 1.00 0.00 H new ATOM 0 H1 DG A 5 27.539 24.283 33.833 1.00 0.00 H new ATOM 0 H21 DG A 5 25.181 26.390 35.269 1.00 0.00 H new ATOM 0 H22 DG A 5 26.722 25.545 35.445 1.00 0.00 H new ATOM 159 P DT A 6 19.246 29.287 30.370 1.00 0.00 P ATOM 160 OP1 DT A 6 18.152 28.493 30.980 1.00 0.00 O ATOM 161 OP2 DT A 6 18.898 30.552 29.677 1.00 0.00 O ATOM 162 O5' DT A 6 20.333 29.643 31.498 1.00 0.00 O ATOM 163 C5' DT A 6 20.141 29.331 32.873 1.00 0.00 C ATOM 164 C4' DT A 6 21.368 29.736 33.689 1.00 0.00 C ATOM 165 O4' DT A 6 22.529 29.078 33.214 1.00 0.00 O ATOM 166 C3' DT A 6 21.651 31.243 33.643 1.00 0.00 C ATOM 167 O3' DT A 6 21.298 31.804 34.902 1.00 0.00 O ATOM 168 C2' DT A 6 23.147 31.309 33.314 1.00 0.00 C ATOM 169 C1' DT A 6 23.639 29.882 33.554 1.00 0.00 C ATOM 170 N1 DT A 6 24.810 29.429 32.753 1.00 0.00 N ATOM 171 C2 DT A 6 25.917 28.906 33.435 1.00 0.00 C ATOM 172 O2 DT A 6 26.147 29.094 34.628 1.00 0.00 O ATOM 173 N3 DT A 6 26.804 28.160 32.695 1.00 0.00 N ATOM 174 C4 DT A 6 26.683 27.874 31.357 1.00 0.00 C ATOM 175 O4 DT A 6 27.445 27.049 30.860 1.00 0.00 O ATOM 176 C5 DT A 6 25.624 28.609 30.667 1.00 0.00 C ATOM 177 C7 DT A 6 25.497 28.517 29.156 1.00 0.00 C ATOM 178 C6 DT A 6 24.737 29.358 31.374 1.00 0.00 C ATOM 0 H5' DT A 6 19.957 28.263 32.988 1.00 0.00 H new ATOM 0 H5'' DT A 6 19.259 29.849 33.250 1.00 0.00 H new ATOM 0 H4' DT A 6 21.138 29.448 34.715 1.00 0.00 H new ATOM 0 H3' DT A 6 21.082 31.814 32.909 1.00 0.00 H new ATOM 0 H2' DT A 6 23.316 31.622 32.284 1.00 0.00 H new ATOM 0 H2'' DT A 6 23.666 32.023 33.953 1.00 0.00 H new ATOM 0 H1' DT A 6 23.993 29.816 34.583 1.00 0.00 H new ATOM 0 H3 DT A 6 27.620 27.788 33.180 1.00 0.00 H new ATOM 0 H71 DT A 6 24.452 28.639 28.871 1.00 0.00 H new ATOM 0 H72 DT A 6 26.094 29.303 28.692 1.00 0.00 H new ATOM 0 H73 DT A 6 25.854 27.544 28.819 1.00 0.00 H new ATOM 0 H6 DT A 6 23.965 29.905 30.852 1.00 0.00 H new ATOM 191 P DA A 7 21.096 33.391 35.120 1.00 0.00 P ATOM 192 OP1 DA A 7 20.204 33.583 36.292 1.00 0.00 O ATOM 193 OP2 DA A 7 20.728 34.024 33.829 1.00 0.00 O ATOM 194 O5' DA A 7 22.575 33.878 35.517 1.00 0.00 O ATOM 195 C5' DA A 7 23.142 33.510 36.768 1.00 0.00 C ATOM 196 C4' DA A 7 24.659 33.713 36.800 1.00 0.00 C ATOM 197 O4' DA A 7 25.291 32.861 35.857 1.00 0.00 O ATOM 198 C3' DA A 7 25.110 35.153 36.522 1.00 0.00 C ATOM 199 O3' DA A 7 25.746 35.663 37.689 1.00 0.00 O ATOM 200 C2' DA A 7 26.030 34.976 35.309 1.00 0.00 C ATOM 201 C1' DA A 7 26.444 33.505 35.360 1.00 0.00 C ATOM 202 N9 DA A 7 26.738 32.914 34.034 1.00 0.00 N ATOM 203 C8 DA A 7 25.955 32.972 32.905 1.00 0.00 C ATOM 204 N7 DA A 7 26.376 32.244 31.908 1.00 0.00 N ATOM 205 C5 DA A 7 27.564 31.692 32.412 1.00 0.00 C ATOM 206 C6 DA A 7 28.552 30.826 31.885 1.00 0.00 C ATOM 207 N6 DA A 7 28.513 30.308 30.676 1.00 0.00 N ATOM 208 N1 DA A 7 29.606 30.450 32.608 1.00 0.00 N ATOM 209 C2 DA A 7 29.701 30.924 33.843 1.00 0.00 C ATOM 210 N3 DA A 7 28.862 31.735 34.483 1.00 0.00 N ATOM 211 C4 DA A 7 27.797 32.090 33.703 1.00 0.00 C ATOM 0 H5' DA A 7 22.913 32.465 36.975 1.00 0.00 H new ATOM 0 H5'' DA A 7 22.682 34.100 37.561 1.00 0.00 H new ATOM 0 H4' DA A 7 24.956 33.471 37.821 1.00 0.00 H new ATOM 0 H3' DA A 7 24.326 35.878 36.304 1.00 0.00 H new ATOM 0 H2' DA A 7 25.512 35.211 34.379 1.00 0.00 H new ATOM 0 H2'' DA A 7 26.896 35.635 35.367 1.00 0.00 H new ATOM 0 H1' DA A 7 27.354 33.396 35.950 1.00 0.00 H new ATOM 0 H8 DA A 7 25.060 33.574 32.848 1.00 0.00 H new ATOM 0 H61 DA A 7 29.261 29.690 30.361 1.00 0.00 H new ATOM 0 H62 DA A 7 27.735 30.524 30.053 1.00 0.00 H new ATOM 0 H2 DA A 7 30.571 30.612 34.401 1.00 0.00 H new ATOM 223 P DC A 8 26.277 37.183 37.809 1.00 0.00 P ATOM 224 OP1 DC A 8 26.338 37.536 39.249 1.00 0.00 O ATOM 225 OP2 DC A 8 25.499 38.049 36.888 1.00 0.00 O ATOM 226 O5' DC A 8 27.779 37.062 37.249 1.00 0.00 O ATOM 227 C5' DC A 8 28.722 36.224 37.907 1.00 0.00 C ATOM 228 C4' DC A 8 29.984 35.980 37.074 1.00 0.00 C ATOM 229 O4' DC A 8 29.673 35.258 35.885 1.00 0.00 O ATOM 230 C3' DC A 8 30.718 37.267 36.667 1.00 0.00 C ATOM 231 O3' DC A 8 32.070 37.201 37.114 1.00 0.00 O ATOM 232 C2' DC A 8 30.567 37.243 35.145 1.00 0.00 C ATOM 233 C1' DC A 8 30.506 35.741 34.849 1.00 0.00 C ATOM 234 N1 DC A 8 29.910 35.354 33.535 1.00 0.00 N ATOM 235 C2 DC A 8 30.564 34.418 32.716 1.00 0.00 C ATOM 236 O2 DC A 8 31.676 33.961 32.986 1.00 0.00 O ATOM 237 N3 DC A 8 29.990 33.975 31.566 1.00 0.00 N ATOM 238 C4 DC A 8 28.800 34.439 31.246 1.00 0.00 C ATOM 239 N4 DC A 8 28.285 33.991 30.139 1.00 0.00 N ATOM 240 C5 DC A 8 28.085 35.382 32.028 1.00 0.00 C ATOM 241 C6 DC A 8 28.674 35.827 33.163 1.00 0.00 C ATOM 0 H5' DC A 8 28.253 35.267 38.136 1.00 0.00 H new ATOM 0 H5'' DC A 8 29.002 36.677 38.858 1.00 0.00 H new ATOM 0 H4' DC A 8 30.645 35.406 37.724 1.00 0.00 H new ATOM 0 H3' DC A 8 30.335 38.193 37.096 1.00 0.00 H new ATOM 0 H2' DC A 8 29.665 37.759 34.817 1.00 0.00 H new ATOM 0 H2'' DC A 8 31.408 37.723 34.645 1.00 0.00 H new ATOM 0 H1' DC A 8 31.517 35.336 34.800 1.00 0.00 H new ATOM 0 H41 DC A 8 27.365 34.313 29.837 1.00 0.00 H new ATOM 0 H42 DC A 8 28.801 33.318 29.573 1.00 0.00 H new ATOM 0 H5 DC A 8 27.108 35.732 31.729 1.00 0.00 H new ATOM 0 H6 DC A 8 28.170 36.557 33.779 1.00 0.00 H new ATOM 253 P DA A 9 33.014 38.509 37.203 1.00 0.00 P ATOM 254 OP1 DA A 9 34.117 38.217 38.154 1.00 0.00 O ATOM 255 OP2 DA A 9 32.169 39.707 37.441 1.00 0.00 O ATOM 256 O5' DA A 9 33.626 38.611 35.717 1.00 0.00 O ATOM 257 C5' DA A 9 34.633 37.705 35.284 1.00 0.00 C ATOM 258 C4' DA A 9 34.666 37.523 33.762 1.00 0.00 C ATOM 259 O4' DA A 9 33.443 36.990 33.275 1.00 0.00 O ATOM 260 C3' DA A 9 34.888 38.809 32.959 1.00 0.00 C ATOM 261 O3' DA A 9 36.273 39.100 32.806 1.00 0.00 O ATOM 262 C2' DA A 9 34.211 38.471 31.627 1.00 0.00 C ATOM 263 C1' DA A 9 33.485 37.154 31.876 1.00 0.00 C ATOM 264 N9 DA A 9 32.149 37.128 31.254 1.00 0.00 N ATOM 265 C8 DA A 9 31.047 37.895 31.547 1.00 0.00 C ATOM 266 N7 DA A 9 30.046 37.727 30.722 1.00 0.00 N ATOM 267 C5 DA A 9 30.544 36.783 29.808 1.00 0.00 C ATOM 268 C6 DA A 9 30.044 36.147 28.643 1.00 0.00 C ATOM 269 N6 DA A 9 28.855 36.346 28.109 1.00 0.00 N ATOM 270 N1 DA A 9 30.779 35.261 27.970 1.00 0.00 N ATOM 271 C2 DA A 9 31.990 34.983 28.430 1.00 0.00 C ATOM 272 N3 DA A 9 32.599 35.488 29.493 1.00 0.00 N ATOM 273 C4 DA A 9 31.814 36.396 30.141 1.00 0.00 C ATOM 0 H5' DA A 9 34.469 36.736 35.756 1.00 0.00 H new ATOM 0 H5'' DA A 9 35.605 38.064 35.622 1.00 0.00 H new ATOM 0 H4' DA A 9 35.514 36.853 33.618 1.00 0.00 H new ATOM 0 H3' DA A 9 34.484 39.704 33.433 1.00 0.00 H new ATOM 0 H2' DA A 9 33.515 39.255 31.328 1.00 0.00 H new ATOM 0 H2'' DA A 9 34.943 38.372 30.826 1.00 0.00 H new ATOM 0 H1' DA A 9 34.010 36.320 31.411 1.00 0.00 H new ATOM 0 H8 DA A 9 31.011 38.576 32.384 1.00 0.00 H new ATOM 0 H61 DA A 9 28.583 35.840 27.266 1.00 0.00 H new ATOM 0 H62 DA A 9 28.207 37.006 28.539 1.00 0.00 H new ATOM 0 H2 DA A 9 32.552 34.252 27.867 1.00 0.00 H new ATOM 285 P DT A 10 36.788 40.439 32.064 1.00 0.00 P ATOM 286 OP1 DT A 10 38.234 40.596 32.365 1.00 0.00 O ATOM 287 OP2 DT A 10 35.866 41.551 32.401 1.00 0.00 O ATOM 288 O5' DT A 10 36.619 40.094 30.496 1.00 0.00 O ATOM 289 C5' DT A 10 37.490 39.180 29.837 1.00 0.00 C ATOM 290 C4' DT A 10 37.075 38.877 28.387 1.00 0.00 C ATOM 291 O4' DT A 10 35.911 38.066 28.292 1.00 0.00 O ATOM 292 C3' DT A 10 36.703 40.112 27.566 1.00 0.00 C ATOM 293 O3' DT A 10 37.812 40.910 27.182 1.00 0.00 O ATOM 294 C2' DT A 10 36.063 39.435 26.360 1.00 0.00 C ATOM 295 C1' DT A 10 35.421 38.178 26.958 1.00 0.00 C ATOM 296 N1 DT A 10 33.937 38.258 26.918 1.00 0.00 N ATOM 297 C2 DT A 10 33.283 37.660 25.832 1.00 0.00 C ATOM 298 O2 DT A 10 33.861 37.033 24.945 1.00 0.00 O ATOM 299 N3 DT A 10 31.922 37.832 25.759 1.00 0.00 N ATOM 300 C4 DT A 10 31.159 38.592 26.615 1.00 0.00 C ATOM 301 O4 DT A 10 29.950 38.657 26.411 1.00 0.00 O ATOM 302 C5 DT A 10 31.909 39.245 27.690 1.00 0.00 C ATOM 303 C7 DT A 10 31.201 40.150 28.687 1.00 0.00 C ATOM 304 C6 DT A 10 33.248 39.048 27.818 1.00 0.00 C ATOM 0 H5' DT A 10 37.520 38.248 30.401 1.00 0.00 H new ATOM 0 H5'' DT A 10 38.501 39.587 29.840 1.00 0.00 H new ATOM 0 H4' DT A 10 37.970 38.386 28.004 1.00 0.00 H new ATOM 0 H3' DT A 10 36.079 40.823 28.107 1.00 0.00 H new ATOM 0 H2' DT A 10 35.322 40.078 25.885 1.00 0.00 H new ATOM 0 H2'' DT A 10 36.803 39.185 25.600 1.00 0.00 H new ATOM 0 H1' DT A 10 35.684 37.292 26.380 1.00 0.00 H new ATOM 0 H3 DT A 10 31.433 37.353 25.002 1.00 0.00 H new ATOM 0 H71 DT A 10 31.719 40.111 29.645 1.00 0.00 H new ATOM 0 H72 DT A 10 31.204 41.174 28.314 1.00 0.00 H new ATOM 0 H73 DT A 10 30.172 39.814 28.817 1.00 0.00 H new ATOM 0 H6 DT A 10 33.780 39.515 28.634 1.00 0.00 H new ATOM 317 P DC A 11 37.626 42.481 26.877 1.00 0.00 P ATOM 318 OP1 DC A 11 38.960 43.041 26.543 1.00 0.00 O ATOM 319 OP2 DC A 11 36.850 43.098 27.981 1.00 0.00 O ATOM 320 O5' DC A 11 36.703 42.501 25.554 1.00 0.00 O ATOM 321 C5' DC A 11 37.232 42.224 24.261 1.00 0.00 C ATOM 322 C4' DC A 11 36.160 42.284 23.160 1.00 0.00 C ATOM 323 O4' DC A 11 35.185 41.253 23.297 1.00 0.00 O ATOM 324 C3' DC A 11 35.334 43.577 23.191 1.00 0.00 C ATOM 325 O3' DC A 11 35.925 44.800 22.730 1.00 0.00 O ATOM 326 C2' DC A 11 34.074 43.164 22.440 1.00 0.00 C ATOM 327 C1' DC A 11 34.027 41.631 22.559 1.00 0.00 C ATOM 328 N1 DC A 11 32.776 41.211 23.250 1.00 0.00 N ATOM 329 C2 DC A 11 31.711 40.678 22.499 1.00 0.00 C ATOM 330 O2 DC A 11 31.855 40.246 21.354 1.00 0.00 O ATOM 331 N3 DC A 11 30.461 40.623 23.016 1.00 0.00 N ATOM 332 C4 DC A 11 30.275 41.061 24.245 1.00 0.00 C ATOM 333 N4 DC A 11 29.053 41.037 24.684 1.00 0.00 N ATOM 334 C5 DC A 11 31.323 41.530 25.082 1.00 0.00 C ATOM 335 C6 DC A 11 32.570 41.582 24.555 1.00 0.00 C ATOM 0 H5' DC A 11 37.690 41.235 24.264 1.00 0.00 H new ATOM 0 H5'' DC A 11 38.022 42.940 24.034 1.00 0.00 H new ATOM 0 H4' DC A 11 36.740 42.195 22.241 1.00 0.00 H new ATOM 0 H3' DC A 11 35.182 43.899 24.221 1.00 0.00 H new ATOM 0 H2' DC A 11 33.186 43.622 22.876 1.00 0.00 H new ATOM 0 H2'' DC A 11 34.115 43.478 21.397 1.00 0.00 H new ATOM 0 H1' DC A 11 34.023 41.146 21.583 1.00 0.00 H new ATOM 0 H41 DC A 11 28.844 41.363 25.628 1.00 0.00 H new ATOM 0 H42 DC A 11 28.303 40.692 24.085 1.00 0.00 H new ATOM 0 H5 DC A 11 31.133 41.834 26.101 1.00 0.00 H new ATOM 0 H6 DC A 11 33.400 41.915 25.161 1.00 0.00 H new ATOM 347 P DG A 12 36.792 45.001 21.372 1.00 0.00 P ATOM 348 OP1 DG A 12 37.994 44.135 21.448 1.00 0.00 O ATOM 349 OP2 DG A 12 36.992 46.463 21.218 1.00 0.00 O ATOM 350 O5' DG A 12 35.870 44.521 20.133 1.00 0.00 O ATOM 351 C5' DG A 12 36.135 43.331 19.396 1.00 0.00 C ATOM 352 C4' DG A 12 35.032 42.980 18.378 1.00 0.00 C ATOM 353 O4' DG A 12 33.839 42.552 19.040 1.00 0.00 O ATOM 354 C3' DG A 12 34.647 44.151 17.452 1.00 0.00 C ATOM 355 O3' DG A 12 34.445 43.712 16.109 1.00 0.00 O ATOM 356 C2' DG A 12 33.325 44.600 18.064 1.00 0.00 C ATOM 357 C1' DG A 12 32.733 43.254 18.487 1.00 0.00 C ATOM 358 N9 DG A 12 31.619 43.373 19.464 1.00 0.00 N ATOM 359 C8 DG A 12 31.539 44.183 20.572 1.00 0.00 C ATOM 360 N7 DG A 12 30.439 44.050 21.264 1.00 0.00 N ATOM 361 C5 DG A 12 29.707 43.103 20.534 1.00 0.00 C ATOM 362 C6 DG A 12 28.392 42.553 20.744 1.00 0.00 C ATOM 363 O6 DG A 12 27.593 42.768 21.656 1.00 0.00 O ATOM 364 N1 DG A 12 27.991 41.680 19.752 1.00 0.00 N ATOM 365 C2 DG A 12 28.754 41.357 18.681 1.00 0.00 C ATOM 366 N2 DG A 12 28.215 40.555 17.800 1.00 0.00 N ATOM 367 N3 DG A 12 29.982 41.826 18.449 1.00 0.00 N ATOM 368 C4 DG A 12 30.411 42.700 19.416 1.00 0.00 C ATOM 0 H5' DG A 12 36.253 42.501 20.092 1.00 0.00 H new ATOM 0 H5'' DG A 12 37.083 43.443 18.869 1.00 0.00 H new ATOM 0 H4' DG A 12 35.460 42.182 17.771 1.00 0.00 H new ATOM 0 H3' DG A 12 35.410 44.927 17.391 1.00 0.00 H new ATOM 0 H2' DG A 12 33.468 45.272 18.910 1.00 0.00 H new ATOM 0 H2'' DG A 12 32.693 45.122 17.345 1.00 0.00 H new ATOM 0 HO3' DG A 12 34.201 44.477 15.548 1.00 0.00 H new ATOM 0 H1' DG A 12 32.276 42.741 17.640 1.00 0.00 H new ATOM 0 H8 DG A 12 32.322 44.873 20.848 1.00 0.00 H new ATOM 0 H1 DG A 12 27.067 41.254 19.831 1.00 0.00 H new ATOM 0 H21 DG A 12 28.743 40.277 16.973 1.00 0.00 H new ATOM 0 H22 DG A 12 27.266 40.207 17.940 1.00 0.00 H new TER 381 DG A 12 HETATM 382 N1 DCZ B 13 23.363 39.413 19.275 1.00 0.00 N HETATM 383 C2 DCZ B 13 24.679 39.900 19.171 1.00 0.00 C HETATM 384 N3 DCZ B 13 25.235 40.620 20.179 1.00 0.00 N HETATM 385 C4 DCZ B 13 24.517 40.826 21.267 1.00 0.00 C HETATM 386 C5 DCZ B 13 23.195 40.338 21.447 1.00 0.00 C HETATM 387 C6 DCZ B 13 22.648 39.634 20.428 1.00 0.00 C HETATM 388 O2 DCZ B 13 25.383 39.708 18.177 1.00 0.00 O HETATM 389 N4 DCZ B 13 25.066 41.556 22.192 1.00 0.00 N HETATM 390 C1' DCZ B 13 22.709 38.751 18.108 1.00 0.00 C HETATM 391 C2' DCZ B 13 22.281 37.309 18.393 1.00 0.00 C HETATM 392 C3' DCZ B 13 21.108 37.123 17.432 1.00 0.00 C HETATM 393 C4' DCZ B 13 20.480 38.522 17.436 1.00 0.00 C HETATM 394 O4' DCZ B 13 21.507 39.449 17.792 1.00 0.00 O HETATM 395 O3' DCZ B 13 21.535 36.785 16.116 1.00 0.00 O HETATM 396 C5' DCZ B 13 19.252 38.655 18.364 1.00 0.00 C HETATM 397 O5' DCZ B 13 19.458 38.226 19.711 1.00 0.00 O HETATM 0 HO51 DCZ B 13 18.631 38.348 20.223 1.00 0.00 H new HETATM 0 HN42 DCZ B 13 24.560 41.750 23.056 1.00 0.00 H new HETATM 0 HN41 DCZ B 13 26.003 41.935 22.054 1.00 0.00 H new HETATM 0 H5'2 DCZ B 13 18.937 39.698 18.376 1.00 0.00 H new HETATM 0 H5'1 DCZ B 13 18.431 38.079 17.938 1.00 0.00 H new HETATM 0 H2'2 DCZ B 13 23.085 36.600 18.196 1.00 0.00 H new HETATM 0 H2'1 DCZ B 13 21.982 37.171 19.432 1.00 0.00 H new HETATM 0 H6 DCZ B 13 21.636 39.241 20.522 1.00 0.00 H new HETATM 0 H5 DCZ B 13 22.643 40.523 22.369 1.00 0.00 H new HETATM 0 H4' DCZ B 13 20.088 38.730 16.440 1.00 0.00 H new HETATM 0 H3' DCZ B 13 20.440 36.314 17.729 1.00 0.00 H new HETATM 0 H1' DCZ B 13 23.446 38.760 17.305 1.00 0.00 H new ATOM 410 P DG B 14 21.561 35.255 15.616 1.00 0.00 P ATOM 411 OP1 DG B 14 21.886 35.246 14.166 1.00 0.00 O ATOM 412 OP2 DG B 14 20.325 34.577 16.079 1.00 0.00 O ATOM 413 O5' DG B 14 22.806 34.671 16.445 1.00 0.00 O ATOM 414 C5' DG B 14 24.140 34.769 15.966 1.00 0.00 C ATOM 415 C4' DG B 14 25.185 34.509 17.062 1.00 0.00 C ATOM 416 O4' DG B 14 25.458 35.688 17.823 1.00 0.00 O ATOM 417 C3' DG B 14 24.794 33.398 18.059 1.00 0.00 C ATOM 418 O3' DG B 14 25.783 32.392 18.157 1.00 0.00 O ATOM 419 C2' DG B 14 24.722 34.175 19.366 1.00 0.00 C ATOM 420 C1' DG B 14 25.784 35.253 19.128 1.00 0.00 C ATOM 421 N9 DG B 14 25.777 36.338 20.144 1.00 0.00 N ATOM 422 C8 DG B 14 24.801 36.631 21.071 1.00 0.00 C ATOM 423 N7 DG B 14 25.138 37.539 21.945 1.00 0.00 N ATOM 424 C5 DG B 14 26.439 37.890 21.567 1.00 0.00 C ATOM 425 C6 DG B 14 27.370 38.820 22.151 1.00 0.00 C ATOM 426 O6 DG B 14 27.238 39.528 23.148 1.00 0.00 O ATOM 427 N1 DG B 14 28.574 38.892 21.485 1.00 0.00 N ATOM 428 C2 DG B 14 28.870 38.160 20.387 1.00 0.00 C ATOM 429 N2 DG B 14 30.061 38.338 19.878 1.00 0.00 N ATOM 430 N3 DG B 14 28.051 37.270 19.820 1.00 0.00 N ATOM 431 C4 DG B 14 26.835 37.179 20.454 1.00 0.00 C ATOM 0 H5' DG B 14 24.299 35.763 15.547 1.00 0.00 H new ATOM 0 H5'' DG B 14 24.284 34.054 15.156 1.00 0.00 H new ATOM 0 H4' DG B 14 26.067 34.184 16.510 1.00 0.00 H new ATOM 0 H3' DG B 14 23.881 32.875 17.775 1.00 0.00 H new ATOM 0 H2' DG B 14 23.734 34.601 19.538 1.00 0.00 H new ATOM 0 H2'' DG B 14 24.954 33.551 20.229 1.00 0.00 H new ATOM 0 H1' DG B 14 26.806 34.886 19.221 1.00 0.00 H new ATOM 0 H8 DG B 14 23.835 36.148 21.074 1.00 0.00 H new ATOM 0 H1 DG B 14 29.282 39.534 21.840 1.00 0.00 H new ATOM 0 H21 DG B 14 30.345 37.815 19.049 1.00 0.00 H new ATOM 0 H22 DG B 14 30.706 39.000 20.310 1.00 0.00 H new ATOM 443 P DA B 15 25.770 31.133 17.159 1.00 0.00 P ATOM 444 OP1 DA B 15 25.357 31.576 15.805 1.00 0.00 O ATOM 445 OP2 DA B 15 25.028 30.028 17.815 1.00 0.00 O ATOM 446 O5' DA B 15 27.320 30.724 17.093 1.00 0.00 O ATOM 447 C5' DA B 15 28.323 31.631 16.643 1.00 0.00 C ATOM 448 C4' DA B 15 29.201 32.195 17.776 1.00 0.00 C ATOM 449 O4' DA B 15 28.616 33.226 18.567 1.00 0.00 O ATOM 450 C3' DA B 15 29.621 31.129 18.792 1.00 0.00 C ATOM 451 O3' DA B 15 30.709 30.344 18.322 1.00 0.00 O ATOM 452 C2' DA B 15 29.975 31.986 20.006 1.00 0.00 C ATOM 453 C1' DA B 15 29.501 33.394 19.663 1.00 0.00 C ATOM 454 N9 DA B 15 28.922 34.059 20.852 1.00 0.00 N ATOM 455 C8 DA B 15 27.715 33.830 21.467 1.00 0.00 C ATOM 456 N7 DA B 15 27.513 34.552 22.540 1.00 0.00 N ATOM 457 C5 DA B 15 28.712 35.274 22.669 1.00 0.00 C ATOM 458 C6 DA B 15 29.230 36.219 23.594 1.00 0.00 C ATOM 459 N6 DA B 15 28.593 36.688 24.649 1.00 0.00 N ATOM 460 N1 DA B 15 30.458 36.719 23.456 1.00 0.00 N ATOM 461 C2 DA B 15 31.187 36.311 22.427 1.00 0.00 C ATOM 462 N3 DA B 15 30.846 35.441 21.482 1.00 0.00 N ATOM 463 C4 DA B 15 29.581 34.960 21.657 1.00 0.00 C ATOM 0 H5' DA B 15 27.844 32.459 16.120 1.00 0.00 H new ATOM 0 H5'' DA B 15 28.961 31.124 15.919 1.00 0.00 H new ATOM 0 H4' DA B 15 30.038 32.596 17.204 1.00 0.00 H new ATOM 0 H3' DA B 15 28.855 30.382 19.003 1.00 0.00 H new ATOM 0 H2' DA B 15 29.484 31.615 20.905 1.00 0.00 H new ATOM 0 H2'' DA B 15 31.048 31.969 20.199 1.00 0.00 H new ATOM 0 H1' DA B 15 30.305 34.070 19.371 1.00 0.00 H new ATOM 0 H8 DA B 15 26.995 33.116 21.097 1.00 0.00 H new ATOM 0 H61 DA B 15 29.048 37.367 25.259 1.00 0.00 H new ATOM 0 H62 DA B 15 27.645 36.371 24.855 1.00 0.00 H new ATOM 0 H2 DA B 15 32.176 36.736 22.347 1.00 0.00 H new ATOM 475 P DT B 16 31.221 29.043 19.125 1.00 0.00 P ATOM 476 OP1 DT B 16 32.166 28.309 18.245 1.00 0.00 O ATOM 477 OP2 DT B 16 30.047 28.323 19.678 1.00 0.00 O ATOM 478 O5' DT B 16 32.042 29.697 20.347 1.00 0.00 O ATOM 479 C5' DT B 16 33.249 30.417 20.120 1.00 0.00 C ATOM 480 C4' DT B 16 33.754 31.142 21.378 1.00 0.00 C ATOM 481 O4' DT B 16 32.870 32.153 21.838 1.00 0.00 O ATOM 482 C3' DT B 16 33.929 30.195 22.558 1.00 0.00 C ATOM 483 O3' DT B 16 35.145 29.479 22.396 1.00 0.00 O ATOM 484 C2' DT B 16 33.966 31.190 23.716 1.00 0.00 C ATOM 485 C1' DT B 16 33.095 32.357 23.227 1.00 0.00 C ATOM 486 N1 DT B 16 31.791 32.485 23.941 1.00 0.00 N ATOM 487 C2 DT B 16 31.704 33.438 24.964 1.00 0.00 C ATOM 488 O2 DT B 16 32.671 34.063 25.394 1.00 0.00 O ATOM 489 N3 DT B 16 30.462 33.658 25.508 1.00 0.00 N ATOM 490 C4 DT B 16 29.304 32.995 25.170 1.00 0.00 C ATOM 491 O4 DT B 16 28.250 33.342 25.705 1.00 0.00 O ATOM 492 C5 DT B 16 29.476 31.940 24.169 1.00 0.00 C ATOM 493 C7 DT B 16 28.289 31.088 23.752 1.00 0.00 C ATOM 494 C6 DT B 16 30.694 31.720 23.595 1.00 0.00 C ATOM 0 H5' DT B 16 33.088 31.146 19.326 1.00 0.00 H new ATOM 0 H5'' DT B 16 34.018 29.728 19.770 1.00 0.00 H new ATOM 0 H4' DT B 16 34.703 31.574 21.060 1.00 0.00 H new ATOM 0 H3' DT B 16 33.166 29.428 22.688 1.00 0.00 H new ATOM 0 H2' DT B 16 33.570 30.752 24.632 1.00 0.00 H new ATOM 0 H2'' DT B 16 34.984 31.514 23.932 1.00 0.00 H new ATOM 0 H1' DT B 16 33.624 33.287 23.432 1.00 0.00 H new ATOM 0 H3 DT B 16 30.391 34.378 26.227 1.00 0.00 H new ATOM 0 H71 DT B 16 28.416 30.768 22.718 1.00 0.00 H new ATOM 0 H72 DT B 16 28.225 30.212 24.398 1.00 0.00 H new ATOM 0 H73 DT B 16 27.373 31.672 23.841 1.00 0.00 H new ATOM 0 H6 DT B 16 30.802 30.937 22.860 1.00 0.00 H new ATOM 507 P DG B 17 35.241 27.897 22.663 1.00 0.00 P ATOM 508 OP1 DG B 17 36.539 27.415 22.127 1.00 0.00 O ATOM 509 OP2 DG B 17 33.991 27.232 22.223 1.00 0.00 O ATOM 510 O5' DG B 17 35.291 27.852 24.260 1.00 0.00 O ATOM 511 C5' DG B 17 36.436 28.284 24.981 1.00 0.00 C ATOM 512 C4' DG B 17 36.222 28.156 26.493 1.00 0.00 C ATOM 513 O4' DG B 17 35.259 29.107 26.934 1.00 0.00 O ATOM 514 C3' DG B 17 35.711 26.756 26.873 1.00 0.00 C ATOM 515 O3' DG B 17 36.294 26.277 28.070 1.00 0.00 O ATOM 516 C2' DG B 17 34.226 27.020 27.075 1.00 0.00 C ATOM 517 C1' DG B 17 34.237 28.439 27.649 1.00 0.00 C ATOM 518 N9 DG B 17 32.967 29.195 27.491 1.00 0.00 N ATOM 519 C8 DG B 17 32.035 29.142 26.479 1.00 0.00 C ATOM 520 N7 DG B 17 31.029 29.966 26.627 1.00 0.00 N ATOM 521 C5 DG B 17 31.310 30.618 27.837 1.00 0.00 C ATOM 522 C6 DG B 17 30.597 31.628 28.578 1.00 0.00 C ATOM 523 O6 DG B 17 29.524 32.174 28.326 1.00 0.00 O ATOM 524 N1 DG B 17 31.230 32.019 29.740 1.00 0.00 N ATOM 525 C2 DG B 17 32.397 31.495 30.166 1.00 0.00 C ATOM 526 N2 DG B 17 32.869 31.925 31.299 1.00 0.00 N ATOM 527 N3 DG B 17 33.100 30.577 29.511 1.00 0.00 N ATOM 528 C4 DG B 17 32.502 30.163 28.355 1.00 0.00 C ATOM 0 H5' DG B 17 36.657 29.321 24.729 1.00 0.00 H new ATOM 0 H5'' DG B 17 37.301 27.692 24.682 1.00 0.00 H new ATOM 0 H4' DG B 17 37.186 28.332 26.970 1.00 0.00 H new ATOM 0 H3' DG B 17 35.947 25.997 26.127 1.00 0.00 H new ATOM 0 H2' DG B 17 33.669 26.961 26.140 1.00 0.00 H new ATOM 0 H2'' DG B 17 33.773 26.305 27.761 1.00 0.00 H new ATOM 0 H1' DG B 17 34.389 28.380 28.727 1.00 0.00 H new ATOM 0 H8 DG B 17 32.126 28.476 25.634 1.00 0.00 H new ATOM 0 H1 DG B 17 30.791 32.744 30.308 1.00 0.00 H new ATOM 0 H21 DG B 17 33.749 31.555 31.658 1.00 0.00 H new ATOM 0 H22 DG B 17 32.359 32.632 31.828 1.00 0.00 H new ATOM 540 P DT B 18 37.748 25.587 28.065 1.00 0.00 P ATOM 541 OP1 DT B 18 38.620 26.253 27.065 1.00 0.00 O ATOM 542 OP2 DT B 18 37.565 24.116 27.993 1.00 0.00 O ATOM 543 O5' DT B 18 38.296 25.951 29.529 1.00 0.00 O ATOM 544 C5' DT B 18 38.442 27.303 29.958 1.00 0.00 C ATOM 545 C4' DT B 18 37.467 27.679 31.084 1.00 0.00 C ATOM 546 O4' DT B 18 36.119 27.853 30.674 1.00 0.00 O ATOM 547 C3' DT B 18 37.454 26.669 32.243 1.00 0.00 C ATOM 548 O3' DT B 18 38.209 27.207 33.321 1.00 0.00 O ATOM 549 C2' DT B 18 35.957 26.496 32.532 1.00 0.00 C ATOM 550 C1' DT B 18 35.331 27.704 31.842 1.00 0.00 C ATOM 551 N1 DT B 18 33.881 27.598 31.503 1.00 0.00 N ATOM 552 C2 DT B 18 33.000 28.539 32.060 1.00 0.00 C ATOM 553 O2 DT B 18 33.284 29.285 32.992 1.00 0.00 O ATOM 554 N3 DT B 18 31.737 28.605 31.525 1.00 0.00 N ATOM 555 C4 DT B 18 31.275 27.831 30.489 1.00 0.00 C ATOM 556 O4 DT B 18 30.199 28.121 29.976 1.00 0.00 O ATOM 557 C5 DT B 18 32.153 26.724 30.112 1.00 0.00 C ATOM 558 C7 DT B 18 31.648 25.655 29.155 1.00 0.00 C ATOM 559 C6 DT B 18 33.418 26.649 30.612 1.00 0.00 C ATOM 0 H5' DT B 18 38.283 27.968 29.109 1.00 0.00 H new ATOM 0 H5'' DT B 18 39.464 27.462 30.301 1.00 0.00 H new ATOM 0 H4' DT B 18 37.865 28.639 31.414 1.00 0.00 H new ATOM 0 H3' DT B 18 37.912 25.701 32.041 1.00 0.00 H new ATOM 0 H2' DT B 18 35.574 25.558 32.129 1.00 0.00 H new ATOM 0 H2'' DT B 18 35.751 26.491 33.602 1.00 0.00 H new ATOM 0 H1' DT B 18 35.336 28.559 32.518 1.00 0.00 H new ATOM 0 H3 DT B 18 31.091 29.283 31.929 1.00 0.00 H new ATOM 0 H71 DT B 18 30.570 25.544 29.269 1.00 0.00 H new ATOM 0 H72 DT B 18 31.876 25.947 28.130 1.00 0.00 H new ATOM 0 H73 DT B 18 32.136 24.706 29.379 1.00 0.00 H new ATOM 0 H6 DT B 18 34.065 25.840 30.309 1.00 0.00 H new ATOM 572 P DA B 19 38.792 26.284 34.510 1.00 0.00 P ATOM 573 OP1 DA B 19 39.954 26.988 35.109 1.00 0.00 O ATOM 574 OP2 DA B 19 38.973 24.895 34.018 1.00 0.00 O ATOM 575 O5' DA B 19 37.584 26.292 35.567 1.00 0.00 O ATOM 576 C5' DA B 19 37.268 27.480 36.277 1.00 0.00 C ATOM 577 C4' DA B 19 35.883 27.432 36.927 1.00 0.00 C ATOM 578 O4' DA B 19 34.863 27.367 35.939 1.00 0.00 O ATOM 579 C3' DA B 19 35.670 26.266 37.901 1.00 0.00 C ATOM 580 O3' DA B 19 35.372 26.803 39.186 1.00 0.00 O ATOM 581 C2' DA B 19 34.509 25.513 37.241 1.00 0.00 C ATOM 582 C1' DA B 19 33.790 26.616 36.465 1.00 0.00 C ATOM 583 N9 DA B 19 32.963 26.137 35.333 1.00 0.00 N ATOM 584 C8 DA B 19 33.314 25.225 34.363 1.00 0.00 C ATOM 585 N7 DA B 19 32.426 25.066 33.418 1.00 0.00 N ATOM 586 C5 DA B 19 31.398 25.937 33.812 1.00 0.00 C ATOM 587 C6 DA B 19 30.135 26.281 33.276 1.00 0.00 C ATOM 588 N6 DA B 19 29.635 25.776 32.169 1.00 0.00 N ATOM 589 N1 DA B 19 29.346 27.178 33.868 1.00 0.00 N ATOM 590 C2 DA B 19 29.780 27.727 34.992 1.00 0.00 C ATOM 591 N3 DA B 19 30.929 27.509 35.624 1.00 0.00 N ATOM 592 C4 DA B 19 31.710 26.593 34.973 1.00 0.00 C ATOM 0 H5' DA B 19 37.315 28.329 35.595 1.00 0.00 H new ATOM 0 H5'' DA B 19 38.020 27.648 37.048 1.00 0.00 H new ATOM 0 H4' DA B 19 35.825 28.355 37.505 1.00 0.00 H new ATOM 0 H3' DA B 19 36.519 25.603 38.068 1.00 0.00 H new ATOM 0 H2' DA B 19 34.863 24.720 36.583 1.00 0.00 H new ATOM 0 H2'' DA B 19 33.857 25.047 37.980 1.00 0.00 H new ATOM 0 H1' DA B 19 33.095 27.146 37.115 1.00 0.00 H new ATOM 0 H8 DA B 19 34.249 24.684 34.382 1.00 0.00 H new ATOM 0 H61 DA B 19 28.715 26.073 31.843 1.00 0.00 H new ATOM 0 H62 DA B 19 30.167 25.088 31.637 1.00 0.00 H new ATOM 0 H2 DA B 19 29.116 28.443 35.454 1.00 0.00 H new ATOM 604 P DC B 20 35.264 25.892 40.511 1.00 0.00 P ATOM 605 OP1 DC B 20 35.523 26.759 41.688 1.00 0.00 O ATOM 606 OP2 DC B 20 36.084 24.667 40.331 1.00 0.00 O ATOM 607 O5' DC B 20 33.711 25.471 40.510 1.00 0.00 O ATOM 608 C5' DC B 20 32.698 26.442 40.746 1.00 0.00 C ATOM 609 C4' DC B 20 31.309 25.994 40.275 1.00 0.00 C ATOM 610 O4' DC B 20 31.265 25.783 38.867 1.00 0.00 O ATOM 611 C3' DC B 20 30.819 24.685 40.916 1.00 0.00 C ATOM 612 O3' DC B 20 30.018 24.928 42.071 1.00 0.00 O ATOM 613 C2' DC B 20 30.030 24.040 39.772 1.00 0.00 C ATOM 614 C1' DC B 20 30.081 25.048 38.627 1.00 0.00 C ATOM 615 N1 DC B 20 30.060 24.399 37.287 1.00 0.00 N ATOM 616 C2 DC B 20 28.940 24.549 36.453 1.00 0.00 C ATOM 617 O2 DC B 20 27.954 25.207 36.792 1.00 0.00 O ATOM 618 N3 DC B 20 28.901 23.969 35.225 1.00 0.00 N ATOM 619 C4 DC B 20 29.929 23.235 34.853 1.00 0.00 C ATOM 620 N4 DC B 20 29.886 22.757 33.643 1.00 0.00 N ATOM 621 C5 DC B 20 31.071 23.006 35.669 1.00 0.00 C ATOM 622 C6 DC B 20 31.105 23.607 36.884 1.00 0.00 C ATOM 0 H5' DC B 20 32.966 27.368 40.237 1.00 0.00 H new ATOM 0 H5'' DC B 20 32.659 26.664 41.812 1.00 0.00 H new ATOM 0 H4' DC B 20 30.663 26.816 40.582 1.00 0.00 H new ATOM 0 H3' DC B 20 31.621 24.049 41.291 1.00 0.00 H new ATOM 0 H2' DC B 20 30.472 23.088 39.478 1.00 0.00 H new ATOM 0 H2'' DC B 20 29.002 23.835 40.070 1.00 0.00 H new ATOM 0 H1' DC B 20 29.201 25.691 38.605 1.00 0.00 H new ATOM 0 H41 DC B 20 30.652 22.181 33.295 1.00 0.00 H new ATOM 0 H42 DC B 20 29.086 22.959 33.043 1.00 0.00 H new ATOM 0 H5 DC B 20 31.882 22.376 35.333 1.00 0.00 H new ATOM 0 H6 DC B 20 31.955 23.462 37.534 1.00 0.00 H new ATOM 634 P DA B 21 29.470 23.732 43.019 1.00 0.00 P ATOM 635 OP1 DA B 21 29.099 24.327 44.328 1.00 0.00 O ATOM 636 OP2 DA B 21 30.454 22.620 43.001 1.00 0.00 O ATOM 637 O5' DA B 21 28.118 23.216 42.296 1.00 0.00 O ATOM 638 C5' DA B 21 26.964 24.051 42.206 1.00 0.00 C ATOM 639 C4' DA B 21 25.964 23.602 41.126 1.00 0.00 C ATOM 640 O4' DA B 21 26.614 23.487 39.870 1.00 0.00 O ATOM 641 C3' DA B 21 25.301 22.240 41.379 1.00 0.00 C ATOM 642 O3' DA B 21 24.079 22.396 42.096 1.00 0.00 O ATOM 643 C2' DA B 21 25.071 21.706 39.960 1.00 0.00 C ATOM 644 C1' DA B 21 25.834 22.655 39.042 1.00 0.00 C ATOM 645 N9 DA B 21 26.675 21.974 38.037 1.00 0.00 N ATOM 646 C8 DA B 21 27.889 21.355 38.216 1.00 0.00 C ATOM 647 N7 DA B 21 28.385 20.821 37.127 1.00 0.00 N ATOM 648 C5 DA B 21 27.401 21.106 36.161 1.00 0.00 C ATOM 649 C6 DA B 21 27.235 20.828 34.781 1.00 0.00 C ATOM 650 N6 DA B 21 28.082 20.149 34.031 1.00 0.00 N ATOM 651 N1 DA B 21 26.168 21.252 34.104 1.00 0.00 N ATOM 652 C2 DA B 21 25.256 21.943 34.772 1.00 0.00 C ATOM 653 N3 DA B 21 25.252 22.274 36.058 1.00 0.00 N ATOM 654 C4 DA B 21 26.367 21.822 36.704 1.00 0.00 C ATOM 0 H5' DA B 21 27.280 25.073 41.995 1.00 0.00 H new ATOM 0 H5'' DA B 21 26.460 24.066 43.172 1.00 0.00 H new ATOM 0 H4' DA B 21 25.193 24.373 41.147 1.00 0.00 H new ATOM 0 H3' DA B 21 25.900 21.565 41.990 1.00 0.00 H new ATOM 0 H2' DA B 21 25.437 20.684 39.861 1.00 0.00 H new ATOM 0 H2'' DA B 21 24.009 21.690 39.714 1.00 0.00 H new ATOM 0 H1' DA B 21 25.115 23.225 38.454 1.00 0.00 H new ATOM 0 H8 DA B 21 28.391 21.312 39.171 1.00 0.00 H new ATOM 0 H61 DA B 21 27.880 19.997 33.043 1.00 0.00 H new ATOM 0 H62 DA B 21 28.939 19.776 34.439 1.00 0.00 H new ATOM 0 H2 DA B 21 24.407 22.280 34.197 1.00 0.00 H new ATOM 666 P DT B 22 23.197 21.140 42.609 1.00 0.00 P ATOM 667 OP1 DT B 22 22.248 21.649 43.630 1.00 0.00 O ATOM 668 OP2 DT B 22 24.116 20.037 42.985 1.00 0.00 O ATOM 669 O5' DT B 22 22.343 20.663 41.320 1.00 0.00 O ATOM 670 C5' DT B 22 21.330 21.495 40.764 1.00 0.00 C ATOM 671 C4' DT B 22 20.658 20.913 39.509 1.00 0.00 C ATOM 672 O4' DT B 22 21.591 20.817 38.434 1.00 0.00 O ATOM 673 C3' DT B 22 20.036 19.517 39.716 1.00 0.00 C ATOM 674 O3' DT B 22 18.682 19.508 39.275 1.00 0.00 O ATOM 675 C2' DT B 22 20.939 18.640 38.852 1.00 0.00 C ATOM 676 C1' DT B 22 21.333 19.611 37.742 1.00 0.00 C ATOM 677 N1 DT B 22 22.538 19.164 36.993 1.00 0.00 N ATOM 678 C2 DT B 22 22.409 18.857 35.632 1.00 0.00 C ATOM 679 O2 DT B 22 21.378 19.032 34.983 1.00 0.00 O ATOM 680 N3 DT B 22 23.516 18.320 35.014 1.00 0.00 N ATOM 681 C4 DT B 22 24.721 18.040 35.620 1.00 0.00 C ATOM 682 O4 DT B 22 25.615 17.522 34.954 1.00 0.00 O ATOM 683 C5 DT B 22 24.796 18.398 37.035 1.00 0.00 C ATOM 684 C7 DT B 22 26.068 18.144 37.825 1.00 0.00 C ATOM 685 C6 DT B 22 23.728 18.956 37.662 1.00 0.00 C ATOM 0 H5' DT B 22 21.766 22.462 40.514 1.00 0.00 H new ATOM 0 H5'' DT B 22 20.567 21.675 41.521 1.00 0.00 H new ATOM 0 H4' DT B 22 19.852 21.609 39.278 1.00 0.00 H new ATOM 0 H3' DT B 22 19.991 19.184 40.753 1.00 0.00 H new ATOM 0 H2' DT B 22 21.805 18.274 39.404 1.00 0.00 H new ATOM 0 H2'' DT B 22 20.414 17.766 38.466 1.00 0.00 H new ATOM 0 H1' DT B 22 20.554 19.700 36.985 1.00 0.00 H new ATOM 0 H3 DT B 22 23.437 18.111 34.019 1.00 0.00 H new ATOM 0 H71 DT B 22 26.161 18.890 38.614 1.00 0.00 H new ATOM 0 H72 DT B 22 26.028 17.149 38.269 1.00 0.00 H new ATOM 0 H73 DT B 22 26.929 18.210 37.160 1.00 0.00 H new ATOM 0 H6 DT B 22 23.811 19.242 38.700 1.00 0.00 H new ATOM 698 P DC B 23 17.699 18.242 39.499 1.00 0.00 P ATOM 699 OP1 DC B 23 16.367 18.765 39.893 1.00 0.00 O ATOM 700 OP2 DC B 23 18.365 17.257 40.387 1.00 0.00 O ATOM 701 O5' DC B 23 17.583 17.579 38.031 1.00 0.00 O ATOM 702 C5' DC B 23 16.839 18.218 36.995 1.00 0.00 C ATOM 703 C4' DC B 23 16.582 17.328 35.769 1.00 0.00 C ATOM 704 O4' DC B 23 17.783 17.111 35.035 1.00 0.00 O ATOM 705 C3' DC B 23 15.973 15.960 36.127 1.00 0.00 C ATOM 706 O3' DC B 23 14.870 15.671 35.273 1.00 0.00 O ATOM 707 C2' DC B 23 17.166 15.024 35.938 1.00 0.00 C ATOM 708 C1' DC B 23 17.994 15.720 34.852 1.00 0.00 C ATOM 709 N1 DC B 23 19.455 15.443 34.965 1.00 0.00 N ATOM 710 C2 DC B 23 20.151 14.905 33.872 1.00 0.00 C ATOM 711 O2 DC B 23 19.601 14.630 32.805 1.00 0.00 O ATOM 712 N3 DC B 23 21.483 14.671 33.944 1.00 0.00 N ATOM 713 C4 DC B 23 22.111 14.968 35.064 1.00 0.00 C ATOM 714 N4 DC B 23 23.392 14.749 35.070 1.00 0.00 N ATOM 715 C5 DC B 23 21.473 15.529 36.202 1.00 0.00 C ATOM 716 C6 DC B 23 20.139 15.758 36.115 1.00 0.00 C ATOM 0 H5' DC B 23 17.374 19.112 36.676 1.00 0.00 H new ATOM 0 H5'' DC B 23 15.882 18.547 37.399 1.00 0.00 H new ATOM 0 H4' DC B 23 15.858 17.872 35.163 1.00 0.00 H new ATOM 0 H3' DC B 23 15.551 15.883 37.129 1.00 0.00 H new ATOM 0 H2' DC B 23 17.733 14.904 36.861 1.00 0.00 H new ATOM 0 H2'' DC B 23 16.850 14.028 35.627 1.00 0.00 H new ATOM 0 H1' DC B 23 17.682 15.355 33.873 1.00 0.00 H new ATOM 0 H41 DC B 23 23.941 14.956 35.904 1.00 0.00 H new ATOM 0 H42 DC B 23 23.848 14.370 34.240 1.00 0.00 H new ATOM 0 H5 DC B 23 22.027 15.763 37.099 1.00 0.00 H new ATOM 0 H6 DC B 23 19.612 16.190 36.953 1.00 0.00 H new ATOM 728 P DG B 24 13.901 14.398 35.507 1.00 0.00 P ATOM 729 OP1 DG B 24 12.572 14.718 34.928 1.00 0.00 O ATOM 730 OP2 DG B 24 13.980 13.975 36.928 1.00 0.00 O ATOM 731 O5' DG B 24 14.593 13.260 34.605 1.00 0.00 O ATOM 732 C5' DG B 24 14.582 13.355 33.186 1.00 0.00 C ATOM 733 C4' DG B 24 15.549 12.375 32.509 1.00 0.00 C ATOM 734 O4' DG B 24 16.899 12.673 32.873 1.00 0.00 O ATOM 735 C3' DG B 24 15.290 10.899 32.873 1.00 0.00 C ATOM 736 O3' DG B 24 15.317 10.065 31.716 1.00 0.00 O ATOM 737 C2' DG B 24 16.482 10.586 33.771 1.00 0.00 C ATOM 738 C1' DG B 24 17.553 11.436 33.093 1.00 0.00 C ATOM 739 N9 DG B 24 18.795 11.572 33.891 1.00 0.00 N ATOM 740 C8 DG B 24 18.944 11.852 35.230 1.00 0.00 C ATOM 741 N7 DG B 24 20.182 11.807 35.654 1.00 0.00 N ATOM 742 C5 DG B 24 20.912 11.459 34.507 1.00 0.00 C ATOM 743 C6 DG B 24 22.319 11.210 34.299 1.00 0.00 C ATOM 744 O6 DG B 24 23.247 11.241 35.111 1.00 0.00 O ATOM 745 N1 DG B 24 22.635 10.867 32.997 1.00 0.00 N ATOM 746 C2 DG B 24 21.716 10.754 32.005 1.00 0.00 C ATOM 747 N2 DG B 24 22.137 10.400 30.819 1.00 0.00 N ATOM 748 N3 DG B 24 20.411 10.962 32.149 1.00 0.00 N ATOM 749 C4 DG B 24 20.066 11.318 33.426 1.00 0.00 C ATOM 0 H5' DG B 24 14.842 14.372 32.894 1.00 0.00 H new ATOM 0 H5'' DG B 24 13.571 13.168 32.823 1.00 0.00 H new ATOM 0 H4' DG B 24 15.381 12.501 31.439 1.00 0.00 H new ATOM 0 H3' DG B 24 14.316 10.731 33.334 1.00 0.00 H new ATOM 0 H2' DG B 24 16.312 10.878 34.807 1.00 0.00 H new ATOM 0 H2'' DG B 24 16.733 9.525 33.776 1.00 0.00 H new ATOM 0 HO3' DG B 24 15.151 9.136 31.979 1.00 0.00 H new ATOM 0 H1' DG B 24 17.916 10.981 32.171 1.00 0.00 H new ATOM 0 H8 DG B 24 18.111 12.089 35.876 1.00 0.00 H new ATOM 0 H1 DG B 24 23.613 10.689 32.770 1.00 0.00 H new ATOM 0 H21 DG B 24 21.474 10.305 30.050 1.00 0.00 H new ATOM 0 H22 DG B 24 23.129 10.219 30.663 1.00 0.00 H new TER 762 DG B 24 HETATM 763 O81 9TK A 101 23.078 29.854 38.482 1.00 0.00 O HETATM 764 C81 9TK A 101 23.662 29.279 37.568 1.00 0.00 C HETATM 765 C83 9TK A 101 21.432 26.901 35.919 1.00 0.00 C HETATM 766 N81 9TK A 101 21.690 27.865 36.867 1.00 0.00 N HETATM 767 C88 9TK A 101 20.693 28.389 37.812 1.00 0.00 C HETATM 768 C82 9TK A 101 23.030 28.215 36.709 1.00 0.00 C HETATM 769 N82 9TK A 101 23.600 27.517 35.731 1.00 0.00 N HETATM 770 C84 9TK A 101 22.605 26.704 35.244 1.00 0.00 C HETATM 776 N PYB A 102 24.981 29.586 37.232 1.00 0.00 N HETATM 777 CA PYB A 102 25.828 30.490 37.871 1.00 0.00 C HETATM 778 CB1 PYB A 102 27.121 30.868 37.421 1.00 0.00 C HETATM 779 CB PYB A 102 25.558 31.155 39.037 1.00 0.00 C HETATM 780 CG1 PYB A 102 27.625 31.776 38.326 1.00 0.00 C HETATM 781 NG2 PYB A 102 26.640 31.980 39.303 1.00 0.00 N HETATM 782 CD PYB A 102 26.628 32.951 40.407 1.00 0.00 C HETATM 783 C PYB A 102 28.956 32.448 38.420 1.00 0.00 C HETATM 784 O PYB A 102 29.265 33.111 39.402 1.00 0.00 O HETATM 0 HD3 PYB A 102 25.813 33.660 40.259 1.00 0.00 H new HETATM 0 HD2 PYB A 102 26.485 32.426 41.352 1.00 0.00 H new HETATM 0 HD1 PYB A 102 27.576 33.488 40.430 1.00 0.00 H new HETATM 0 HB1 PYB A 102 27.623 30.506 36.524 1.00 0.00 H new HETATM 0 HB PYB A 102 24.658 31.054 39.644 1.00 0.00 H new HETATM 0 H PYB A 102 25.276 29.135 36.366 1.00 0.00 H new HETATM 791 N PYB A 103 29.829 32.304 37.346 1.00 0.00 N HETATM 792 CA PYB A 103 31.144 32.780 37.304 1.00 0.00 C HETATM 793 CB1 PYB A 103 31.938 32.965 36.140 1.00 0.00 C HETATM 794 CB PYB A 103 31.886 33.168 38.390 1.00 0.00 C HETATM 795 CG1 PYB A 103 33.145 33.510 36.533 1.00 0.00 C HETATM 796 NG2 PYB A 103 33.103 33.639 37.926 1.00 0.00 N HETATM 797 CD PYB A 103 34.123 34.203 38.823 1.00 0.00 C HETATM 798 C PYB A 103 34.363 33.900 35.759 1.00 0.00 C HETATM 799 O PYB A 103 35.399 34.258 36.303 1.00 0.00 O HETATM 0 HD3 PYB A 103 33.713 35.070 39.341 1.00 0.00 H new HETATM 0 HD2 PYB A 103 34.421 33.451 39.554 1.00 0.00 H new HETATM 0 HD1 PYB A 103 34.993 34.506 38.240 1.00 0.00 H new HETATM 0 HB1 PYB A 103 31.646 32.720 35.119 1.00 0.00 H new HETATM 0 HB PYB A 103 31.574 33.115 39.433 1.00 0.00 H new HETATM 0 H PYB A 103 29.350 32.052 36.481 1.00 0.00 H new HETATM 806 N PYB A 104 34.265 33.853 34.376 1.00 0.00 N HETATM 807 CA PYB A 104 35.283 34.130 33.460 1.00 0.00 C HETATM 808 CB1 PYB A 104 35.093 34.220 32.063 1.00 0.00 C HETATM 809 CB PYB A 104 36.609 34.374 33.727 1.00 0.00 C HETATM 810 CG1 PYB A 104 36.303 34.527 31.486 1.00 0.00 C HETATM 811 NG2 PYB A 104 37.243 34.632 32.514 1.00 0.00 N HETATM 812 CD PYB A 104 38.673 34.952 32.397 1.00 0.00 C HETATM 813 C PYB A 104 36.652 34.712 30.051 1.00 0.00 C HETATM 814 O PYB A 104 37.759 34.998 29.622 1.00 0.00 O HETATM 0 HD3 PYB A 104 38.891 35.857 32.964 1.00 0.00 H new HETATM 0 HD2 PYB A 104 39.264 34.125 32.791 1.00 0.00 H new HETATM 0 HD1 PYB A 104 38.926 35.111 31.349 1.00 0.00 H new HETATM 0 HB1 PYB A 104 34.151 34.072 31.534 1.00 0.00 H new HETATM 0 HB PYB A 104 37.079 34.367 34.710 1.00 0.00 H new HETATM 0 H PYB A 104 33.311 33.701 34.048 1.00 0.00 H new HETATM 821 N ABU A 105 35.589 34.514 29.200 1.00 0.00 N HETATM 822 CA ABU A 105 35.631 34.765 27.753 1.00 0.00 C HETATM 823 CB ABU A 105 36.149 33.597 26.882 1.00 0.00 C HETATM 824 CG ABU A 105 35.685 32.181 27.308 1.00 0.00 C HETATM 825 CD ABU A 105 36.557 31.603 28.428 1.00 0.00 C HETATM 826 OE1 ABU A 105 37.758 31.433 28.274 1.00 0.00 O HETATM 0 H ABU A 105 34.683 34.173 29.522 1.00 0.00 H new HETATM 0 HB1 ABU A 105 35.833 33.768 25.853 1.00 0.00 H new HETATM 0 HB2 ABU A 105 37.239 33.619 26.889 1.00 0.00 H new HETATM 0 HG1 ABU A 105 36.107 31.440 26.629 1.00 0.00 H new HETATM 0 HG2 ABU A 105 36.024 31.977 28.324 1.00 0.00 H new HETATM 0 HE2 ABU A 105 34.597 32.128 27.272 1.00 0.00 H new HETATM 834 N IMT A 106 35.906 31.337 29.608 1.00 0.00 N HETATM 835 CA IMT A 106 36.441 31.188 30.859 1.00 0.00 C HETATM 836 NB1 IMT A 106 35.699 30.981 31.992 1.00 0.00 N HETATM 837 CB IMT A 106 37.769 31.330 31.162 1.00 0.00 C HETATM 838 CG1 IMT A 106 36.575 31.010 32.995 1.00 0.00 C HETATM 839 NG2 IMT A 106 37.873 31.208 32.527 1.00 0.00 N HETATM 840 CD IMT A 106 39.141 31.284 33.267 1.00 0.00 C HETATM 841 C IMT A 106 36.306 30.886 34.475 1.00 0.00 C HETATM 842 O IMT A 106 37.175 31.020 35.332 1.00 0.00 O HETATM 0 HN2 IMT A 106 34.895 31.296 29.477 1.00 0.00 H new HETATM 0 HD3 IMT A 106 39.811 30.496 32.923 1.00 0.00 H new HETATM 0 HD2 IMT A 106 39.605 32.255 33.096 1.00 0.00 H new HETATM 0 HD1 IMT A 106 38.949 31.157 34.332 1.00 0.00 H new HETATM 0 HB IMT A 106 38.583 31.505 30.459 1.00 0.00 H new HETATM 848 N PYB A 107 34.989 30.588 34.823 1.00 0.00 N HETATM 849 CA PYB A 107 34.463 30.470 36.111 1.00 0.00 C HETATM 850 CB1 PYB A 107 33.172 29.970 36.442 1.00 0.00 C HETATM 851 CB PYB A 107 35.103 30.818 37.268 1.00 0.00 C HETATM 852 CG1 PYB A 107 33.056 29.988 37.817 1.00 0.00 C HETATM 853 NG2 PYB A 107 34.267 30.491 38.322 1.00 0.00 N HETATM 854 CD PYB A 107 34.686 30.654 39.723 1.00 0.00 C HETATM 855 C PYB A 107 31.927 29.644 38.739 1.00 0.00 C HETATM 856 O PYB A 107 32.028 29.820 39.945 1.00 0.00 O HETATM 0 HD3 PYB A 107 35.569 30.044 39.912 1.00 0.00 H new HETATM 0 HD2 PYB A 107 34.922 31.701 39.913 1.00 0.00 H new HETATM 0 HD1 PYB A 107 33.878 30.338 40.383 1.00 0.00 H new HETATM 0 HB1 PYB A 107 32.412 29.634 35.737 1.00 0.00 H new HETATM 0 HB PYB A 107 36.092 31.271 37.346 1.00 0.00 H new HETATM 0 H PYB A 107 34.433 30.302 34.017 1.00 0.00 H new HETATM 863 N PYB A 108 30.755 29.109 38.203 1.00 0.00 N HETATM 864 CA PYB A 108 29.568 28.897 38.924 1.00 0.00 C HETATM 865 CB1 PYB A 108 28.454 28.088 38.551 1.00 0.00 C HETATM 866 CB PYB A 108 29.285 29.460 40.142 1.00 0.00 C HETATM 867 CG1 PYB A 108 27.550 28.104 39.599 1.00 0.00 C HETATM 868 NG2 PYB A 108 28.053 28.992 40.559 1.00 0.00 N HETATM 869 CD PYB A 108 27.427 29.459 41.806 1.00 0.00 C HETATM 870 C PYB A 108 26.241 27.411 39.827 1.00 0.00 C HETATM 871 O PYB A 108 25.627 27.524 40.879 1.00 0.00 O HETATM 0 HD3 PYB A 108 28.076 29.224 42.649 1.00 0.00 H new HETATM 0 HD2 PYB A 108 27.275 30.537 41.755 1.00 0.00 H new HETATM 0 HD1 PYB A 108 26.466 28.963 41.939 1.00 0.00 H new HETATM 0 HB1 PYB A 108 28.336 27.553 37.609 1.00 0.00 H new HETATM 0 HB PYB A 108 29.922 30.157 40.687 1.00 0.00 H new HETATM 0 H PYB A 108 30.891 28.656 37.299 1.00 0.00 H new HETATM 878 N PYB A 109 25.741 26.612 38.808 1.00 0.00 N HETATM 879 CA PYB A 109 24.479 26.001 38.790 1.00 0.00 C HETATM 880 CB1 PYB A 109 24.011 25.144 37.766 1.00 0.00 C HETATM 881 CB PYB A 109 23.466 26.141 39.711 1.00 0.00 C HETATM 882 CG1 PYB A 109 22.724 24.766 38.074 1.00 0.00 C HETATM 883 NG2 PYB A 109 22.377 25.399 39.269 1.00 0.00 N HETATM 884 CD PYB A 109 21.084 25.361 39.969 1.00 0.00 C HETATM 885 C PYB A 109 21.771 23.924 37.303 1.00 0.00 C HETATM 886 O PYB A 109 20.591 23.762 37.578 1.00 0.00 O HETATM 0 HD3 PYB A 109 21.228 24.976 40.978 1.00 0.00 H new HETATM 0 HD2 PYB A 109 20.668 26.367 40.021 1.00 0.00 H new HETATM 0 HD1 PYB A 109 20.396 24.712 39.427 1.00 0.00 H new HETATM 0 HB1 PYB A 109 24.573 24.836 36.884 1.00 0.00 H new HETATM 0 HB PYB A 109 23.510 26.731 40.627 1.00 0.00 H new HETATM 0 H PYB A 109 26.397 26.450 38.044 1.00 0.00 H new HETATM 893 C01 9T8 A 110 15.410 25.939 31.488 1.00 0.00 C HETATM 894 N02 9T8 A 110 18.934 22.177 33.570 1.00 0.00 N HETATM 895 C03 9T8 A 110 16.398 23.891 32.499 1.00 0.00 C HETATM 896 C05 9T8 A 110 17.491 21.923 33.719 1.00 0.00 C HETATM 897 C06 9T8 A 110 19.572 23.326 33.981 1.00 0.00 C HETATM 898 C07 9T8 A 110 21.091 23.233 34.022 1.00 0.00 C HETATM 899 C04 9T8 A 110 16.663 22.371 32.494 1.00 0.00 C HETATM 900 N01 9T8 A 110 15.580 24.430 31.327 1.00 0.00 N HETATM 901 C02 9T8 A 110 14.200 23.777 31.244 1.00 0.00 C HETATM 902 N03 9T8 A 110 22.333 23.335 36.195 1.00 0.00 N HETATM 903 C08 9T8 A 110 21.603 22.464 35.262 1.00 0.00 C HETATM 904 O01 9T8 A 110 18.961 24.333 34.295 1.00 0.00 O