USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 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 Set 1.1: A 55 THR OG1 : rot -69:sc= 2.15 USER MOD Set 1.2: A 57 SER OG : rot -35:sc= 0.948 USER MOD Set 2.1: A 22 THR OG1 : rot -78:sc= 1.41 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.79 K(o=3.2,f=-8.2!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0.859 (180deg=-0.00425) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 0.758 USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.12) USER MOD Single : A 1 MET N :NH3+ -172:sc= 2.27 (180deg=2.09) USER MOD Single : A 2 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= 0.192 (180deg=-0.0184!) USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.0325 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 2.49 (180deg=2.32) USER MOD Single : A 31 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.2) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.449 K(o=0.45,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.765 K(o=0.77,f=-7!) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.0137 USER MOD Single : A 60 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0103) USER MOD Single : A 65 SER OG : rot 105:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.971 52.577 19.584 1.00 0.00 N ATOM 2 CA MET A 1 33.242 52.835 21.007 1.00 0.00 C ATOM 3 C MET A 1 34.751 52.909 21.251 1.00 0.00 C ATOM 4 O MET A 1 35.526 52.365 20.468 1.00 0.00 O ATOM 5 CB MET A 1 32.527 51.859 21.937 1.00 0.00 C ATOM 6 CG MET A 1 32.886 50.393 21.719 1.00 0.00 C ATOM 7 SD MET A 1 32.134 49.238 22.892 1.00 0.00 S ATOM 8 CE MET A 1 30.384 49.404 22.462 1.00 0.00 C ATOM 0 H1 MET A 1 31.950 52.663 19.404 1.00 0.00 H new ATOM 0 H2 MET A 1 33.485 53.269 19.002 1.00 0.00 H new ATOM 0 H3 MET A 1 33.286 51.617 19.339 1.00 0.00 H new ATOM 0 HA MET A 1 32.819 53.808 21.259 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.757 52.126 22.968 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.451 51.979 21.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.588 50.108 20.710 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.970 50.288 21.773 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.807 48.641 22.985 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.029 50.392 22.756 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.260 49.279 21.386 1.00 0.00 H new ATOM 20 N GLN A 2 35.182 53.591 22.309 1.00 0.00 N ATOM 21 CA GLN A 2 36.580 53.723 22.665 1.00 0.00 C ATOM 22 C GLN A 2 37.055 52.548 23.522 1.00 0.00 C ATOM 23 O GLN A 2 36.311 52.068 24.374 1.00 0.00 O ATOM 24 CB GLN A 2 36.856 55.021 23.418 1.00 0.00 C ATOM 25 CG GLN A 2 36.377 56.298 22.733 1.00 0.00 C ATOM 26 CD GLN A 2 36.891 57.558 23.434 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.670 58.337 22.890 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.475 57.837 24.665 1.00 0.00 N ATOM 0 H GLN A 2 34.553 54.074 22.950 1.00 0.00 H new ATOM 0 HA GLN A 2 37.131 53.733 21.725 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.385 54.958 24.399 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.930 55.101 23.585 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.712 56.299 21.696 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.287 56.312 22.716 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.828 57.207 25.140 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.803 58.681 25.135 1.00 0.00 H new ATOM 37 N ILE A 3 38.324 52.180 23.368 1.00 0.00 N ATOM 38 CA ILE A 3 39.116 51.519 24.387 1.00 0.00 C ATOM 39 C ILE A 3 40.499 52.172 24.448 1.00 0.00 C ATOM 40 O ILE A 3 40.925 52.818 23.493 1.00 0.00 O ATOM 41 CB ILE A 3 39.210 50.005 24.218 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.908 49.589 22.927 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.843 49.349 24.391 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.143 48.088 22.791 1.00 0.00 C ATOM 0 H ILE A 3 38.840 52.341 22.503 1.00 0.00 H new ATOM 0 HA ILE A 3 38.601 51.654 25.338 1.00 0.00 H new ATOM 0 HB ILE A 3 39.852 49.633 25.017 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.311 49.929 22.080 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.868 50.101 22.866 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.939 48.270 24.266 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.459 49.566 25.388 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.154 49.742 23.643 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.644 47.882 21.845 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.767 47.741 23.615 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.186 47.566 22.816 1.00 0.00 H new ATOM 56 N PHE A 4 41.216 51.966 25.549 1.00 0.00 N ATOM 57 CA PHE A 4 42.536 52.513 25.789 1.00 0.00 C ATOM 58 C PHE A 4 43.564 51.400 26.001 1.00 0.00 C ATOM 59 O PHE A 4 43.244 50.374 26.598 1.00 0.00 O ATOM 60 CB PHE A 4 42.497 53.454 26.989 1.00 0.00 C ATOM 61 CG PHE A 4 41.357 54.443 26.981 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.427 55.585 26.174 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.222 54.221 27.772 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.361 56.492 26.151 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.161 55.134 27.755 1.00 0.00 C ATOM 66 CZ PHE A 4 39.224 56.268 26.937 1.00 0.00 C ATOM 0 H PHE A 4 40.877 51.393 26.322 1.00 0.00 H new ATOM 0 HA PHE A 4 42.843 53.079 24.909 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.435 52.857 27.899 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.437 54.005 27.032 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.303 55.766 25.569 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.165 53.342 28.397 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.416 57.369 25.524 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.293 54.963 28.374 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.400 56.966 26.912 1.00 0.00 H new ATOM 76 N VAL A 5 44.803 51.597 25.558 1.00 0.00 N ATOM 77 CA VAL A 5 45.893 50.660 25.737 1.00 0.00 C ATOM 78 C VAL A 5 47.100 51.362 26.362 1.00 0.00 C ATOM 79 O VAL A 5 47.531 52.394 25.852 1.00 0.00 O ATOM 80 CB VAL A 5 46.261 49.968 24.429 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.321 48.891 24.646 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.048 49.293 23.796 1.00 0.00 C ATOM 0 H VAL A 5 45.077 52.439 25.051 1.00 0.00 H new ATOM 0 HA VAL A 5 45.561 49.880 26.422 1.00 0.00 H new ATOM 0 HB VAL A 5 46.645 50.748 23.772 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.560 48.418 23.693 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.221 49.345 25.061 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.940 48.140 25.338 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.345 48.809 22.865 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.648 48.546 24.482 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.283 50.041 23.588 1.00 0.00 H new ATOM 92 N LYS A 6 47.632 50.810 27.449 1.00 0.00 N ATOM 93 CA LYS A 6 48.776 51.319 28.177 1.00 0.00 C ATOM 94 C LYS A 6 50.016 50.444 27.990 1.00 0.00 C ATOM 95 O LYS A 6 49.932 49.224 28.115 1.00 0.00 O ATOM 96 CB LYS A 6 48.433 51.493 29.653 1.00 0.00 C ATOM 97 CG LYS A 6 47.485 52.669 29.870 1.00 0.00 C ATOM 98 CD LYS A 6 47.142 52.834 31.348 1.00 0.00 C ATOM 99 CE LYS A 6 46.162 53.977 31.595 1.00 0.00 C ATOM 100 NZ LYS A 6 46.771 55.293 31.349 1.00 0.00 N ATOM 0 H LYS A 6 47.255 49.956 27.860 1.00 0.00 H new ATOM 0 HA LYS A 6 49.022 52.297 27.763 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.974 50.580 30.032 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.348 51.651 30.224 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.944 53.584 29.496 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.571 52.514 29.297 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.714 51.905 31.725 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.057 53.015 31.912 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.293 53.854 30.949 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.804 53.931 32.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.069 56.039 31.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.585 55.423 31.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.090 55.349 30.361 1.00 0.00 H new ATOM 168 N LYS A 11 52.565 54.901 28.604 1.00 0.00 N ATOM 169 CA LYS A 11 52.053 55.696 27.506 1.00 0.00 C ATOM 170 C LYS A 11 50.700 55.145 27.052 1.00 0.00 C ATOM 171 O LYS A 11 50.550 53.927 26.987 1.00 0.00 O ATOM 172 CB LYS A 11 53.084 55.734 26.382 1.00 0.00 C ATOM 173 CG LYS A 11 52.739 56.725 25.275 1.00 0.00 C ATOM 174 CD LYS A 11 53.919 56.867 24.318 1.00 0.00 C ATOM 175 CE LYS A 11 53.736 57.952 23.259 1.00 0.00 C ATOM 176 NZ LYS A 11 52.713 57.626 22.254 1.00 0.00 N ATOM 0 HA LYS A 11 51.885 56.724 27.827 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.057 55.992 26.800 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.177 54.737 25.951 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.858 56.384 24.731 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.491 57.695 25.707 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.817 57.086 24.896 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.086 55.912 23.819 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.466 58.886 23.751 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.688 58.121 22.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.986 58.032 21.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.631 56.593 22.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.798 58.022 22.549 1.00 0.00 H new ATOM 190 N THR A 12 49.736 56.010 26.748 1.00 0.00 N ATOM 191 CA THR A 12 48.350 55.637 26.545 1.00 0.00 C ATOM 192 C THR A 12 47.872 55.925 25.121 1.00 0.00 C ATOM 193 O THR A 12 47.958 57.054 24.641 1.00 0.00 O ATOM 194 CB THR A 12 47.434 56.310 27.563 1.00 0.00 C ATOM 195 OG1 THR A 12 47.936 56.132 28.868 1.00 0.00 O ATOM 196 CG2 THR A 12 46.029 55.715 27.554 1.00 0.00 C ATOM 0 H THR A 12 49.906 57.009 26.635 1.00 0.00 H new ATOM 0 HA THR A 12 48.297 54.559 26.696 1.00 0.00 H new ATOM 0 HB THR A 12 47.395 57.363 27.285 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.819 56.960 29.379 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.413 56.225 28.294 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.587 55.841 26.566 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.082 54.653 27.796 1.00 0.00 H new ATOM 204 N ILE A 13 47.347 54.896 24.463 1.00 0.00 N ATOM 205 CA ILE A 13 46.868 54.906 23.095 1.00 0.00 C ATOM 206 C ILE A 13 45.356 54.677 23.090 1.00 0.00 C ATOM 207 O ILE A 13 44.892 53.670 23.619 1.00 0.00 O ATOM 208 CB ILE A 13 47.584 53.840 22.271 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.099 53.788 22.450 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.231 53.985 20.793 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.857 55.067 22.107 1.00 0.00 C ATOM 0 H ILE A 13 47.241 53.981 24.901 1.00 0.00 H new ATOM 0 HA ILE A 13 47.082 55.874 22.642 1.00 0.00 H new ATOM 0 HB ILE A 13 47.219 52.890 22.660 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.314 53.529 23.487 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.491 52.980 21.832 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.749 53.218 20.218 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.155 53.871 20.663 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.536 54.970 20.441 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.923 54.913 22.272 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.685 55.323 21.062 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.505 55.880 22.742 1.00 0.00 H new ATOM 223 N THR A 14 44.584 55.566 22.472 1.00 0.00 N ATOM 224 CA THR A 14 43.148 55.442 22.325 1.00 0.00 C ATOM 225 C THR A 14 42.804 54.792 20.984 1.00 0.00 C ATOM 226 O THR A 14 43.342 55.186 19.952 1.00 0.00 O ATOM 227 CB THR A 14 42.446 56.793 22.431 1.00 0.00 C ATOM 228 OG1 THR A 14 42.863 57.494 23.581 1.00 0.00 O ATOM 229 CG2 THR A 14 40.930 56.647 22.535 1.00 0.00 C ATOM 0 H THR A 14 44.957 56.416 22.049 1.00 0.00 H new ATOM 0 HA THR A 14 42.794 54.811 23.141 1.00 0.00 H new ATOM 0 HB THR A 14 42.711 57.333 21.522 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.327 57.209 24.350 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.474 57.634 22.608 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.552 56.137 21.649 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.681 56.065 23.422 1.00 0.00 H new ATOM 237 N LEU A 15 41.907 53.809 20.986 1.00 0.00 N ATOM 238 CA LEU A 15 41.460 53.082 19.815 1.00 0.00 C ATOM 239 C LEU A 15 39.975 53.302 19.523 1.00 0.00 C ATOM 240 O LEU A 15 39.221 53.777 20.370 1.00 0.00 O ATOM 241 CB LEU A 15 41.771 51.598 19.989 1.00 0.00 C ATOM 242 CG LEU A 15 43.222 51.245 20.305 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.340 49.731 20.463 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.204 51.683 19.223 1.00 0.00 C ATOM 0 H LEU A 15 41.457 53.489 21.843 1.00 0.00 H new ATOM 0 HA LEU A 15 42.002 53.468 18.951 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.142 51.208 20.789 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.483 51.078 19.075 1.00 0.00 H new ATOM 0 HG LEU A 15 43.480 51.778 21.220 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.373 49.468 20.689 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.695 49.399 21.276 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.036 49.244 19.537 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.216 51.400 19.514 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.948 51.198 18.281 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.151 52.765 19.100 1.00 0.00 H new ATOM 256 N GLU A 16 39.540 52.916 18.327 1.00 0.00 N ATOM 257 CA GLU A 16 38.151 52.873 17.915 1.00 0.00 C ATOM 258 C GLU A 16 37.771 51.441 17.533 1.00 0.00 C ATOM 259 O GLU A 16 38.394 50.848 16.655 1.00 0.00 O ATOM 260 CB GLU A 16 37.937 53.860 16.772 1.00 0.00 C ATOM 261 CG GLU A 16 36.486 54.020 16.328 1.00 0.00 C ATOM 262 CD GLU A 16 35.544 54.432 17.461 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.814 55.411 18.190 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.483 53.787 17.608 1.00 0.00 O ATOM 0 H GLU A 16 40.178 52.613 17.591 1.00 0.00 H new ATOM 0 HA GLU A 16 37.497 53.170 18.735 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.319 54.835 17.076 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.531 53.538 15.916 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.437 54.767 15.535 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.139 53.079 15.901 1.00 0.00 H new ATOM 271 N VAL A 17 36.798 50.862 18.232 1.00 0.00 N ATOM 272 CA VAL A 17 36.435 49.461 18.171 1.00 0.00 C ATOM 273 C VAL A 17 34.931 49.263 18.363 1.00 0.00 C ATOM 274 O VAL A 17 34.233 50.152 18.846 1.00 0.00 O ATOM 275 CB VAL A 17 37.176 48.642 19.224 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.681 48.588 18.978 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.925 49.134 20.646 1.00 0.00 C ATOM 0 H VAL A 17 36.218 51.388 18.886 1.00 0.00 H new ATOM 0 HA VAL A 17 36.721 49.113 17.179 1.00 0.00 H new ATOM 0 HB VAL A 17 36.766 47.637 19.125 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.156 47.992 19.758 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.875 48.134 18.006 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.089 49.599 18.994 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.479 48.512 21.349 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.257 50.168 20.737 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.860 49.074 20.869 1.00 0.00 H new ATOM 287 N GLU A 18 34.441 48.063 18.061 1.00 0.00 N ATOM 288 CA GLU A 18 33.163 47.539 18.500 1.00 0.00 C ATOM 289 C GLU A 18 33.345 46.143 19.098 1.00 0.00 C ATOM 290 O GLU A 18 34.392 45.542 18.873 1.00 0.00 O ATOM 291 CB GLU A 18 32.183 47.525 17.330 1.00 0.00 C ATOM 292 CG GLU A 18 31.870 48.899 16.745 1.00 0.00 C ATOM 293 CD GLU A 18 31.330 49.917 17.752 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.640 49.535 18.722 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.531 51.134 17.549 1.00 0.00 O ATOM 0 H GLU A 18 34.953 47.403 17.476 1.00 0.00 H new ATOM 0 HA GLU A 18 32.752 48.182 19.278 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.590 46.893 16.541 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.252 47.064 17.659 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.777 49.301 16.294 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.141 48.780 15.944 1.00 0.00 H new ATOM 302 N PRO A 19 32.391 45.567 19.826 1.00 0.00 N ATOM 303 CA PRO A 19 32.556 44.289 20.490 1.00 0.00 C ATOM 304 C PRO A 19 32.942 43.105 19.603 1.00 0.00 C ATOM 305 O PRO A 19 33.454 42.105 20.103 1.00 0.00 O ATOM 306 CB PRO A 19 31.243 44.033 21.224 1.00 0.00 C ATOM 307 CG PRO A 19 30.760 45.446 21.540 1.00 0.00 C ATOM 308 CD PRO A 19 31.157 46.185 20.265 1.00 0.00 C ATOM 0 HA PRO A 19 33.417 44.361 21.155 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.530 43.490 20.603 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.392 43.443 22.129 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.686 45.483 21.720 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.246 45.859 22.424 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.382 46.097 19.504 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.297 47.249 20.456 1.00 0.00 H new ATOM 316 N SER A 20 32.734 43.224 18.295 1.00 0.00 N ATOM 317 CA SER A 20 33.126 42.285 17.263 1.00 0.00 C ATOM 318 C SER A 20 34.602 42.320 16.864 1.00 0.00 C ATOM 319 O SER A 20 35.049 41.393 16.192 1.00 0.00 O ATOM 320 CB SER A 20 32.238 42.503 16.042 1.00 0.00 C ATOM 321 OG SER A 20 32.267 43.844 15.607 1.00 0.00 O ATOM 0 H SER A 20 32.254 44.036 17.908 1.00 0.00 H new ATOM 0 HA SER A 20 32.989 41.291 17.689 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.566 41.851 15.233 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.213 42.221 16.283 1.00 0.00 H new ATOM 0 HG SER A 20 31.688 43.946 14.823 1.00 0.00 H new ATOM 327 N ASP A 21 35.373 43.338 17.236 1.00 0.00 N ATOM 328 CA ASP A 21 36.781 43.433 16.908 1.00 0.00 C ATOM 329 C ASP A 21 37.586 42.294 17.538 1.00 0.00 C ATOM 330 O ASP A 21 37.521 42.061 18.743 1.00 0.00 O ATOM 331 CB ASP A 21 37.376 44.771 17.338 1.00 0.00 C ATOM 332 CG ASP A 21 37.173 45.893 16.319 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.132 46.230 15.591 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.065 46.467 16.233 1.00 0.00 O ATOM 0 H ASP A 21 35.027 44.128 17.781 1.00 0.00 H new ATOM 0 HA ASP A 21 36.847 43.354 15.823 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.929 45.069 18.286 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.444 44.643 17.515 1.00 0.00 H new ATOM 339 N THR A 22 38.414 41.625 16.741 1.00 0.00 N ATOM 340 CA THR A 22 39.338 40.611 17.208 1.00 0.00 C ATOM 341 C THR A 22 40.590 41.200 17.863 1.00 0.00 C ATOM 342 O THR A 22 40.908 42.373 17.681 1.00 0.00 O ATOM 343 CB THR A 22 39.761 39.611 16.137 1.00 0.00 C ATOM 344 OG1 THR A 22 40.478 40.236 15.096 1.00 0.00 O ATOM 345 CG2 THR A 22 38.569 38.875 15.533 1.00 0.00 C ATOM 0 H THR A 22 38.458 41.780 15.734 1.00 0.00 H new ATOM 0 HA THR A 22 38.762 40.071 17.959 1.00 0.00 H new ATOM 0 HB THR A 22 40.404 38.890 16.642 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.852 40.694 14.497 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.920 38.174 14.776 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.043 38.329 16.317 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.891 39.595 15.075 1.00 0.00 H new ATOM 353 N ILE A 23 41.332 40.378 18.599 1.00 0.00 N ATOM 354 CA ILE A 23 42.629 40.757 19.123 1.00 0.00 C ATOM 355 C ILE A 23 43.575 41.098 17.971 1.00 0.00 C ATOM 356 O ILE A 23 44.336 42.058 18.070 1.00 0.00 O ATOM 357 CB ILE A 23 43.147 39.664 20.054 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.594 39.778 21.472 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.668 39.648 20.176 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.087 39.620 21.645 1.00 0.00 C ATOM 0 H ILE A 23 41.046 39.431 18.846 1.00 0.00 H new ATOM 0 HA ILE A 23 42.553 41.661 19.728 1.00 0.00 H new ATOM 0 HB ILE A 23 42.799 38.744 19.584 1.00 0.00 H new ATOM 0 HG12 ILE A 23 43.086 39.026 22.088 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.880 40.752 21.869 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.970 38.848 20.852 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.110 39.480 19.194 1.00 0.00 H new ATOM 0 HG23 ILE A 23 45.012 40.605 20.569 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.829 39.723 22.699 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.572 40.389 21.069 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.781 38.635 21.291 1.00 0.00 H new ATOM 372 N GLU A 24 43.484 40.408 16.837 1.00 0.00 N ATOM 373 CA GLU A 24 44.233 40.724 15.638 1.00 0.00 C ATOM 374 C GLU A 24 43.903 42.113 15.087 1.00 0.00 C ATOM 375 O GLU A 24 44.820 42.853 14.738 1.00 0.00 O ATOM 376 CB GLU A 24 43.969 39.625 14.613 1.00 0.00 C ATOM 377 CG GLU A 24 44.720 39.742 13.290 1.00 0.00 C ATOM 378 CD GLU A 24 46.149 39.201 13.361 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.530 38.394 12.486 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.917 39.587 14.269 1.00 0.00 O ATOM 0 H GLU A 24 42.873 39.598 16.730 1.00 0.00 H new ATOM 0 HA GLU A 24 45.296 40.760 15.878 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.221 38.666 15.066 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.900 39.605 14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.171 39.202 12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.749 40.789 12.987 1.00 0.00 H new ATOM 387 N ASN A 25 42.632 42.507 15.084 1.00 0.00 N ATOM 388 CA ASN A 25 42.230 43.844 14.696 1.00 0.00 C ATOM 389 C ASN A 25 42.800 44.908 15.635 1.00 0.00 C ATOM 390 O ASN A 25 43.302 45.931 15.176 1.00 0.00 O ATOM 391 CB ASN A 25 40.713 43.999 14.652 1.00 0.00 C ATOM 392 CG ASN A 25 39.994 43.088 13.654 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.199 42.233 14.041 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.249 43.215 12.355 1.00 0.00 N ATOM 0 H ASN A 25 41.855 41.903 15.352 1.00 0.00 H new ATOM 0 HA ASN A 25 42.634 43.991 13.694 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.315 43.806 15.648 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.476 45.035 14.410 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.786 42.604 11.682 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.908 43.923 12.031 1.00 0.00 H new ATOM 401 N VAL A 26 42.757 44.668 16.944 1.00 0.00 N ATOM 402 CA VAL A 26 43.285 45.596 17.924 1.00 0.00 C ATOM 403 C VAL A 26 44.803 45.737 17.787 1.00 0.00 C ATOM 404 O VAL A 26 45.292 46.864 17.739 1.00 0.00 O ATOM 405 CB VAL A 26 42.825 45.217 19.328 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.609 45.911 20.438 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.359 45.611 19.481 1.00 0.00 C ATOM 0 H VAL A 26 42.354 43.823 17.348 1.00 0.00 H new ATOM 0 HA VAL A 26 42.879 46.589 17.731 1.00 0.00 H new ATOM 0 HB VAL A 26 42.987 44.144 19.432 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.226 45.593 21.408 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.663 45.646 20.359 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.498 46.991 20.341 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.014 45.347 20.480 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.254 46.686 19.333 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.761 45.082 18.739 1.00 0.00 H new ATOM 417 N LYS A 27 45.542 44.647 17.605 1.00 0.00 N ATOM 418 CA LYS A 27 46.971 44.677 17.363 1.00 0.00 C ATOM 419 C LYS A 27 47.342 45.447 16.094 1.00 0.00 C ATOM 420 O LYS A 27 48.288 46.231 16.125 1.00 0.00 O ATOM 421 CB LYS A 27 47.518 43.252 17.337 1.00 0.00 C ATOM 422 CG LYS A 27 47.526 42.618 18.725 1.00 0.00 C ATOM 423 CD LYS A 27 47.957 41.156 18.677 1.00 0.00 C ATOM 424 CE LYS A 27 48.048 40.601 20.096 1.00 0.00 C ATOM 425 NZ LYS A 27 48.353 39.162 20.096 1.00 0.00 N ATOM 0 H LYS A 27 45.153 43.704 17.623 1.00 0.00 H new ATOM 0 HA LYS A 27 47.436 45.222 18.184 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.914 42.644 16.664 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.532 43.260 16.936 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.201 43.175 19.375 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.530 42.689 19.163 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.243 40.575 18.094 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.922 41.067 18.179 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.820 41.137 20.648 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.106 40.774 20.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.065 38.746 21.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.835 38.697 19.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.375 39.024 19.961 1.00 0.00 H new ATOM 439 N ALA A 28 46.568 45.309 15.020 1.00 0.00 N ATOM 440 CA ALA A 28 46.751 46.046 13.787 1.00 0.00 C ATOM 441 C ALA A 28 46.405 47.532 13.911 1.00 0.00 C ATOM 442 O ALA A 28 47.079 48.370 13.317 1.00 0.00 O ATOM 443 CB ALA A 28 45.933 45.377 12.685 1.00 0.00 C ATOM 0 H ALA A 28 45.779 44.664 14.990 1.00 0.00 H new ATOM 0 HA ALA A 28 47.811 46.018 13.535 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.064 45.924 11.752 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.272 44.349 12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.879 45.379 12.962 1.00 0.00 H new ATOM 449 N LYS A 29 45.409 47.888 14.716 1.00 0.00 N ATOM 450 CA LYS A 29 45.049 49.258 15.024 1.00 0.00 C ATOM 451 C LYS A 29 46.094 49.944 15.905 1.00 0.00 C ATOM 452 O LYS A 29 46.406 51.108 15.665 1.00 0.00 O ATOM 453 CB LYS A 29 43.649 49.297 15.634 1.00 0.00 C ATOM 454 CG LYS A 29 42.541 49.094 14.605 1.00 0.00 C ATOM 455 CD LYS A 29 41.166 48.968 15.256 1.00 0.00 C ATOM 456 CE LYS A 29 40.065 48.887 14.203 1.00 0.00 C ATOM 457 NZ LYS A 29 38.729 48.801 14.814 1.00 0.00 N ATOM 0 H LYS A 29 44.814 47.205 15.185 1.00 0.00 H new ATOM 0 HA LYS A 29 45.031 49.831 14.097 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.571 48.525 16.400 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.503 50.256 16.132 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.536 49.933 13.909 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.749 48.197 14.022 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.138 48.078 15.885 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.989 49.824 15.907 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.114 49.764 13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.232 48.016 13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.004 48.985 14.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.589 47.850 15.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.648 49.507 15.573 1.00 0.00 H new ATOM 471 N ILE A 30 46.687 49.233 16.859 1.00 0.00 N ATOM 472 CA ILE A 30 47.827 49.666 17.641 1.00 0.00 C ATOM 473 C ILE A 30 49.052 49.862 16.745 1.00 0.00 C ATOM 474 O ILE A 30 49.718 50.890 16.845 1.00 0.00 O ATOM 475 CB ILE A 30 48.119 48.684 18.773 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.004 48.687 19.815 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.451 48.970 19.457 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.018 47.452 20.711 1.00 0.00 C ATOM 0 H ILE A 30 46.368 48.299 17.115 1.00 0.00 H new ATOM 0 HA ILE A 30 47.585 50.627 18.094 1.00 0.00 H new ATOM 0 HB ILE A 30 48.176 47.698 18.311 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.096 49.579 20.435 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.041 48.750 19.308 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.613 48.245 20.255 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.258 48.894 18.728 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.435 49.975 19.878 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.201 47.515 21.430 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.896 46.558 20.100 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.967 47.400 21.244 1.00 0.00 H new ATOM 490 N GLN A 31 49.341 48.917 15.854 1.00 0.00 N ATOM 491 CA GLN A 31 50.425 49.009 14.897 1.00 0.00 C ATOM 492 C GLN A 31 50.287 50.248 14.010 1.00 0.00 C ATOM 493 O GLN A 31 51.271 50.958 13.810 1.00 0.00 O ATOM 494 CB GLN A 31 50.472 47.733 14.061 1.00 0.00 C ATOM 495 CG GLN A 31 51.694 47.662 13.150 1.00 0.00 C ATOM 496 CD GLN A 31 51.600 46.528 12.128 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.571 45.893 11.911 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.696 46.202 11.449 1.00 0.00 N ATOM 0 H GLN A 31 48.812 48.048 15.781 1.00 0.00 H new ATOM 0 HA GLN A 31 51.364 49.113 15.440 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.471 46.869 14.726 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.569 47.669 13.454 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.807 48.611 12.625 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.588 47.525 13.758 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.565 46.712 11.608 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.668 45.442 10.769 1.00 0.00 H new ATOM 507 N ASP A 32 49.094 50.542 13.503 1.00 0.00 N ATOM 508 CA ASP A 32 48.844 51.724 12.703 1.00 0.00 C ATOM 509 C ASP A 32 49.070 53.026 13.475 1.00 0.00 C ATOM 510 O ASP A 32 49.699 53.940 12.947 1.00 0.00 O ATOM 511 CB ASP A 32 47.422 51.677 12.152 1.00 0.00 C ATOM 512 CG ASP A 32 47.165 52.861 11.219 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.776 52.923 10.130 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.359 53.742 11.590 1.00 0.00 O ATOM 0 H ASP A 32 48.269 49.958 13.640 1.00 0.00 H new ATOM 0 HA ASP A 32 49.564 51.719 11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.266 50.742 11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.707 51.694 12.975 1.00 0.00 H new ATOM 519 N LYS A 33 48.598 53.122 14.715 1.00 0.00 N ATOM 520 CA LYS A 33 48.651 54.349 15.483 1.00 0.00 C ATOM 521 C LYS A 33 50.004 54.612 16.147 1.00 0.00 C ATOM 522 O LYS A 33 50.498 55.732 16.040 1.00 0.00 O ATOM 523 CB LYS A 33 47.472 54.400 16.451 1.00 0.00 C ATOM 524 CG LYS A 33 47.303 55.790 17.059 1.00 0.00 C ATOM 525 CD LYS A 33 45.978 55.990 17.787 1.00 0.00 C ATOM 526 CE LYS A 33 44.775 55.921 16.850 1.00 0.00 C ATOM 527 NZ LYS A 33 43.562 56.463 17.484 1.00 0.00 N ATOM 0 H LYS A 33 48.167 52.343 15.212 1.00 0.00 H new ATOM 0 HA LYS A 33 48.553 55.181 14.786 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.558 54.118 15.928 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.622 53.670 17.247 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.120 55.972 17.757 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.387 56.535 16.267 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.875 55.229 18.561 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.987 56.957 18.290 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.990 56.479 15.939 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.601 54.886 16.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.742 56.293 16.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.410 55.994 18.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.676 57.486 17.634 1.00 0.00 H new ATOM 541 N GLU A 34 50.633 53.619 16.770 1.00 0.00 N ATOM 542 CA GLU A 34 51.835 53.776 17.562 1.00 0.00 C ATOM 543 C GLU A 34 53.083 53.123 16.965 1.00 0.00 C ATOM 544 O GLU A 34 54.188 53.463 17.379 1.00 0.00 O ATOM 545 CB GLU A 34 51.527 53.289 18.975 1.00 0.00 C ATOM 546 CG GLU A 34 52.597 53.480 20.047 1.00 0.00 C ATOM 547 CD GLU A 34 52.948 54.924 20.414 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.460 55.900 19.805 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.696 55.123 21.394 1.00 0.00 O ATOM 0 H GLU A 34 50.304 52.654 16.732 1.00 0.00 H new ATOM 0 HA GLU A 34 52.102 54.833 17.576 1.00 0.00 H new ATOM 0 HB2 GLU A 34 50.622 53.794 19.313 1.00 0.00 H new ATOM 0 HB3 GLU A 34 51.296 52.225 18.919 1.00 0.00 H new ATOM 0 HG2 GLU A 34 52.268 52.969 20.952 1.00 0.00 H new ATOM 0 HG3 GLU A 34 53.507 52.982 19.713 1.00 0.00 H new ATOM 556 N GLY A 35 52.951 52.242 15.977 1.00 0.00 N ATOM 557 CA GLY A 35 54.081 51.648 15.291 1.00 0.00 C ATOM 558 C GLY A 35 54.710 50.442 15.987 1.00 0.00 C ATOM 559 O GLY A 35 55.927 50.279 15.938 1.00 0.00 O ATOM 0 H GLY A 35 52.046 51.921 15.632 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.761 51.345 14.294 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.848 52.412 15.161 1.00 0.00 H new ATOM 563 N ILE A 36 53.919 49.616 16.667 1.00 0.00 N ATOM 564 CA ILE A 36 54.377 48.444 17.386 1.00 0.00 C ATOM 565 C ILE A 36 54.099 47.181 16.569 1.00 0.00 C ATOM 566 O ILE A 36 52.927 46.884 16.352 1.00 0.00 O ATOM 567 CB ILE A 36 53.746 48.384 18.773 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.887 49.674 19.578 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.313 47.205 19.558 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.307 50.202 19.753 1.00 0.00 C ATOM 0 H ILE A 36 52.910 49.754 16.731 1.00 0.00 H new ATOM 0 HA ILE A 36 55.456 48.511 17.529 1.00 0.00 H new ATOM 0 HB ILE A 36 52.677 48.248 18.612 1.00 0.00 H new ATOM 0 HG12 ILE A 36 53.290 50.447 19.095 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.457 49.511 20.566 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.855 47.172 20.547 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.098 46.277 19.028 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.392 47.322 19.661 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.284 51.120 20.340 1.00 0.00 H new ATOM 0 HD12 ILE A 36 55.911 49.456 20.269 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.742 50.407 18.775 1.00 0.00 H new ATOM 582 N PRO A 37 55.095 46.405 16.150 1.00 0.00 N ATOM 583 CA PRO A 37 54.892 45.204 15.366 1.00 0.00 C ATOM 584 C PRO A 37 53.952 44.198 16.033 1.00 0.00 C ATOM 585 O PRO A 37 54.114 43.907 17.216 1.00 0.00 O ATOM 586 CB PRO A 37 56.277 44.609 15.127 1.00 0.00 C ATOM 587 CG PRO A 37 57.185 45.835 15.169 1.00 0.00 C ATOM 588 CD PRO A 37 56.512 46.702 16.229 1.00 0.00 C ATOM 0 HA PRO A 37 54.397 45.454 14.428 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.543 43.883 15.895 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.336 44.095 14.168 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.207 45.575 15.445 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.234 46.338 14.203 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.903 46.478 17.222 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.700 47.760 16.044 1.00 0.00 H new ATOM 596 N PRO A 38 52.964 43.656 15.327 1.00 0.00 N ATOM 597 CA PRO A 38 51.824 42.993 15.928 1.00 0.00 C ATOM 598 C PRO A 38 52.152 41.604 16.478 1.00 0.00 C ATOM 599 O PRO A 38 51.521 41.163 17.435 1.00 0.00 O ATOM 600 CB PRO A 38 50.765 42.936 14.830 1.00 0.00 C ATOM 601 CG PRO A 38 51.596 42.855 13.551 1.00 0.00 C ATOM 602 CD PRO A 38 52.781 43.752 13.892 1.00 0.00 C ATOM 0 HA PRO A 38 51.477 43.544 16.802 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.113 42.069 14.943 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.126 43.819 14.840 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.907 41.834 13.329 1.00 0.00 H new ATOM 0 HG3 PRO A 38 51.046 43.217 12.682 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.678 43.429 13.363 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.588 44.782 13.593 1.00 0.00 H new ATOM 610 N ASP A 39 53.157 40.924 15.932 1.00 0.00 N ATOM 611 CA ASP A 39 53.530 39.573 16.299 1.00 0.00 C ATOM 612 C ASP A 39 54.310 39.485 17.613 1.00 0.00 C ATOM 613 O ASP A 39 54.503 38.382 18.119 1.00 0.00 O ATOM 614 CB ASP A 39 54.241 38.906 15.126 1.00 0.00 C ATOM 615 CG ASP A 39 55.614 39.508 14.818 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.609 38.752 14.801 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.711 40.733 14.588 1.00 0.00 O ATOM 0 H ASP A 39 53.749 41.316 15.200 1.00 0.00 H new ATOM 0 HA ASP A 39 52.616 39.016 16.507 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.359 37.844 15.340 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.612 38.984 14.239 1.00 0.00 H new ATOM 622 N GLN A 40 54.703 40.612 18.200 1.00 0.00 N ATOM 623 CA GLN A 40 55.308 40.701 19.513 1.00 0.00 C ATOM 624 C GLN A 40 54.446 41.371 20.584 1.00 0.00 C ATOM 625 O GLN A 40 54.915 41.538 21.708 1.00 0.00 O ATOM 626 CB GLN A 40 56.714 41.289 19.436 1.00 0.00 C ATOM 627 CG GLN A 40 56.770 42.757 19.020 1.00 0.00 C ATOM 628 CD GLN A 40 58.211 43.268 19.067 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.668 43.810 20.070 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.992 43.066 18.009 1.00 0.00 N ATOM 0 H GLN A 40 54.602 41.522 17.750 1.00 0.00 H new ATOM 0 HA GLN A 40 55.389 39.671 19.860 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.191 41.183 20.410 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.300 40.702 18.729 1.00 0.00 H new ATOM 0 HG2 GLN A 40 56.369 42.872 18.013 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.144 43.354 19.683 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.615 42.616 17.175 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.968 43.361 18.032 1.00 0.00 H new ATOM 639 N GLN A 41 53.210 41.757 20.283 1.00 0.00 N ATOM 640 CA GLN A 41 52.317 42.372 21.245 1.00 0.00 C ATOM 641 C GLN A 41 51.667 41.307 22.130 1.00 0.00 C ATOM 642 O GLN A 41 50.902 40.495 21.616 1.00 0.00 O ATOM 643 CB GLN A 41 51.240 43.194 20.542 1.00 0.00 C ATOM 644 CG GLN A 41 51.733 44.412 19.767 1.00 0.00 C ATOM 645 CD GLN A 41 50.588 45.219 19.154 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.496 45.324 19.706 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.757 45.827 17.984 1.00 0.00 N ATOM 0 H GLN A 41 52.801 41.648 19.355 1.00 0.00 H new ATOM 0 HA GLN A 41 52.908 43.040 21.872 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.704 42.541 19.853 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.520 43.529 21.289 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.309 45.054 20.433 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.408 44.086 18.976 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.652 45.760 17.499 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.992 46.361 17.571 1.00 0.00 H new ATOM 656 N ARG A 42 51.908 41.317 23.439 1.00 0.00 N ATOM 657 CA ARG A 42 51.082 40.649 24.424 1.00 0.00 C ATOM 658 C ARG A 42 50.043 41.641 24.951 1.00 0.00 C ATOM 659 O ARG A 42 50.435 42.635 25.559 1.00 0.00 O ATOM 660 CB ARG A 42 51.905 40.116 25.595 1.00 0.00 C ATOM 661 CG ARG A 42 52.884 38.982 25.305 1.00 0.00 C ATOM 662 CD ARG A 42 53.565 38.580 26.610 1.00 0.00 C ATOM 663 NE ARG A 42 54.567 37.523 26.468 1.00 0.00 N ATOM 664 CZ ARG A 42 54.361 36.199 26.482 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.141 35.645 26.477 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.393 35.345 26.514 1.00 0.00 N ATOM 0 H ARG A 42 52.705 41.804 23.848 1.00 0.00 H new ATOM 0 HA ARG A 42 50.601 39.798 23.942 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.468 40.948 26.017 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.213 39.776 26.366 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.358 38.130 24.874 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.627 39.301 24.574 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.041 39.460 27.043 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.803 38.250 27.316 1.00 0.00 H new ATOM 0 HE ARG A 42 55.532 37.829 26.344 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.311 36.238 26.462 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.042 34.630 26.488 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.349 35.701 26.528 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.223 34.339 26.524 1.00 0.00 H new ATOM 680 N LEU A 43 48.757 41.386 24.733 1.00 0.00 N ATOM 681 CA LEU A 43 47.671 42.189 25.257 1.00 0.00 C ATOM 682 C LEU A 43 47.025 41.524 26.475 1.00 0.00 C ATOM 683 O LEU A 43 46.743 40.329 26.449 1.00 0.00 O ATOM 684 CB LEU A 43 46.645 42.490 24.168 1.00 0.00 C ATOM 685 CG LEU A 43 47.163 43.310 22.991 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.036 43.535 21.987 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.699 44.681 23.396 1.00 0.00 C ATOM 0 H LEU A 43 48.439 40.595 24.173 1.00 0.00 H new ATOM 0 HA LEU A 43 48.085 43.140 25.593 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.256 41.545 23.788 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.807 43.022 24.619 1.00 0.00 H new ATOM 0 HG LEU A 43 47.985 42.736 22.563 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.409 44.121 21.147 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.673 42.573 21.626 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.220 44.072 22.470 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.051 45.210 22.510 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.904 45.257 23.871 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.525 44.556 24.096 1.00 0.00 H new ATOM 699 N ILE A 44 46.810 42.298 27.536 1.00 0.00 N ATOM 700 CA ILE A 44 46.475 41.811 28.858 1.00 0.00 C ATOM 701 C ILE A 44 45.311 42.600 29.461 1.00 0.00 C ATOM 702 O ILE A 44 45.297 43.828 29.407 1.00 0.00 O ATOM 703 CB ILE A 44 47.685 41.821 29.787 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.007 41.503 29.097 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.427 40.859 30.944 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.238 41.454 29.997 1.00 0.00 C ATOM 0 H ILE A 44 46.868 43.315 27.490 1.00 0.00 H new ATOM 0 HA ILE A 44 46.157 40.774 28.749 1.00 0.00 H new ATOM 0 HB ILE A 44 47.800 42.841 30.153 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.910 40.540 28.596 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.178 42.250 28.322 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.286 40.858 31.615 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.540 41.178 31.491 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.271 39.854 30.553 1.00 0.00 H new ATOM 0 HD11 ILE A 44 51.118 41.220 29.398 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.375 42.422 30.480 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.102 40.685 30.758 1.00 0.00 H new ATOM 718 N PHE A 45 44.357 41.907 30.076 1.00 0.00 N ATOM 719 CA PHE A 45 43.298 42.477 30.883 1.00 0.00 C ATOM 720 C PHE A 45 42.937 41.566 32.058 1.00 0.00 C ATOM 721 O PHE A 45 42.669 40.383 31.860 1.00 0.00 O ATOM 722 CB PHE A 45 42.074 42.725 30.006 1.00 0.00 C ATOM 723 CG PHE A 45 40.961 43.493 30.679 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.901 44.887 30.567 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.972 42.821 31.407 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.860 45.606 31.167 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.942 43.538 32.027 1.00 0.00 C ATOM 728 CZ PHE A 45 38.876 44.930 31.898 1.00 0.00 C ATOM 0 H PHE A 45 44.304 40.890 30.019 1.00 0.00 H new ATOM 0 HA PHE A 45 43.649 43.422 31.299 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.386 43.270 29.115 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.683 41.764 29.671 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.664 45.413 30.013 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.004 41.745 31.491 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.816 46.680 31.066 1.00 0.00 H new ATOM 0 HE2 PHE A 45 38.196 43.015 32.607 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.070 45.480 32.360 1.00 0.00 H new ATOM 738 N ALA A 46 42.892 42.099 33.276 1.00 0.00 N ATOM 739 CA ALA A 46 42.471 41.413 34.481 1.00 0.00 C ATOM 740 C ALA A 46 43.131 40.054 34.722 1.00 0.00 C ATOM 741 O ALA A 46 42.491 39.118 35.197 1.00 0.00 O ATOM 742 CB ALA A 46 40.947 41.380 34.531 1.00 0.00 C ATOM 0 H ALA A 46 43.162 43.067 33.451 1.00 0.00 H new ATOM 0 HA ALA A 46 42.838 41.991 35.329 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.624 40.865 35.436 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.561 42.399 34.536 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.566 40.852 33.657 1.00 0.00 H new ATOM 748 N GLY A 47 44.408 39.911 34.379 1.00 0.00 N ATOM 749 CA GLY A 47 45.164 38.681 34.495 1.00 0.00 C ATOM 750 C GLY A 47 45.002 37.682 33.348 1.00 0.00 C ATOM 751 O GLY A 47 45.683 36.659 33.360 1.00 0.00 O ATOM 0 H GLY A 47 44.959 40.681 33.999 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.220 38.934 34.583 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.876 38.187 35.423 1.00 0.00 H new ATOM 755 N LYS A 48 44.162 37.957 32.354 1.00 0.00 N ATOM 756 CA LYS A 48 44.039 37.198 31.125 1.00 0.00 C ATOM 757 C LYS A 48 44.931 37.808 30.042 1.00 0.00 C ATOM 758 O LYS A 48 44.849 39.010 29.798 1.00 0.00 O ATOM 759 CB LYS A 48 42.599 37.158 30.619 1.00 0.00 C ATOM 760 CG LYS A 48 41.566 36.514 31.538 1.00 0.00 C ATOM 761 CD LYS A 48 40.873 37.493 32.480 1.00 0.00 C ATOM 762 CE LYS A 48 39.916 36.815 33.456 1.00 0.00 C ATOM 763 NZ LYS A 48 38.709 36.280 32.808 1.00 0.00 N ATOM 0 H LYS A 48 43.523 38.751 32.390 1.00 0.00 H new ATOM 0 HA LYS A 48 44.353 36.177 31.343 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.282 38.181 30.415 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.587 36.625 29.668 1.00 0.00 H new ATOM 0 HG2 LYS A 48 40.811 36.018 30.927 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.055 35.741 32.131 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.628 38.041 33.044 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.322 38.225 31.891 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.439 36.003 33.962 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.621 37.532 34.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.100 35.833 33.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.190 37.055 32.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.982 35.574 32.095 1.00 0.00 H new ATOM 777 N GLN A 49 45.715 36.990 29.348 1.00 0.00 N ATOM 778 CA GLN A 49 46.257 37.342 28.051 1.00 0.00 C ATOM 779 C GLN A 49 45.225 37.056 26.958 1.00 0.00 C ATOM 780 O GLN A 49 44.614 35.990 26.937 1.00 0.00 O ATOM 781 CB GLN A 49 47.555 36.591 27.769 1.00 0.00 C ATOM 782 CG GLN A 49 48.747 37.207 28.495 1.00 0.00 C ATOM 783 CD GLN A 49 50.041 36.505 28.077 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.721 36.915 27.139 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.390 35.397 28.724 1.00 0.00 N ATOM 0 H GLN A 49 45.990 36.064 29.674 1.00 0.00 H new ATOM 0 HA GLN A 49 46.486 38.408 28.056 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.444 35.550 28.074 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.746 36.590 26.696 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.811 38.271 28.266 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.610 37.121 29.573 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.823 35.061 29.502 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.225 34.884 28.442 1.00 0.00 H new ATOM 794 N LEU A 50 45.040 38.017 26.058 1.00 0.00 N ATOM 795 CA LEU A 50 43.971 38.010 25.078 1.00 0.00 C ATOM 796 C LEU A 50 44.473 37.417 23.760 1.00 0.00 C ATOM 797 O LEU A 50 45.494 37.852 23.231 1.00 0.00 O ATOM 798 CB LEU A 50 43.398 39.416 24.933 1.00 0.00 C ATOM 799 CG LEU A 50 43.115 40.182 26.222 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.479 41.530 25.899 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.186 39.441 27.179 1.00 0.00 C ATOM 0 H LEU A 50 45.644 38.837 25.992 1.00 0.00 H new ATOM 0 HA LEU A 50 43.153 37.371 25.411 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.092 40.005 24.334 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.468 39.347 24.368 1.00 0.00 H new ATOM 0 HG LEU A 50 44.080 40.301 26.715 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.280 42.070 26.825 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.158 42.113 25.277 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.543 41.372 25.363 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.029 40.044 28.073 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.229 39.261 26.690 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.636 38.488 27.458 1.00 0.00 H new ATOM 813 N GLU A 51 43.772 36.418 23.231 1.00 0.00 N ATOM 814 CA GLU A 51 44.248 35.584 22.145 1.00 0.00 C ATOM 815 C GLU A 51 43.693 35.963 20.771 1.00 0.00 C ATOM 816 O GLU A 51 42.536 36.350 20.633 1.00 0.00 O ATOM 817 CB GLU A 51 43.983 34.116 22.466 1.00 0.00 C ATOM 818 CG GLU A 51 44.708 33.679 23.736 1.00 0.00 C ATOM 819 CD GLU A 51 44.507 32.207 24.105 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.779 31.464 23.412 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.075 31.787 25.136 1.00 0.00 O ATOM 0 H GLU A 51 42.839 36.165 23.556 1.00 0.00 H new ATOM 0 HA GLU A 51 45.322 35.757 22.069 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.911 33.957 22.585 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.307 33.496 21.630 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.775 33.868 23.614 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.367 34.299 24.566 1.00 0.00 H new ATOM 828 N ASP A 52 44.515 35.814 19.735 1.00 0.00 N ATOM 829 CA ASP A 52 44.293 36.365 18.414 1.00 0.00 C ATOM 830 C ASP A 52 43.012 35.902 17.718 1.00 0.00 C ATOM 831 O ASP A 52 42.386 36.686 17.009 1.00 0.00 O ATOM 832 CB ASP A 52 45.494 36.076 17.518 1.00 0.00 C ATOM 833 CG ASP A 52 46.805 36.583 18.120 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.070 37.805 18.082 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.576 35.753 18.650 1.00 0.00 O ATOM 0 H ASP A 52 45.385 35.285 19.802 1.00 0.00 H new ATOM 0 HA ASP A 52 44.167 37.436 18.574 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.567 35.002 17.348 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.339 36.543 16.545 1.00 0.00 H new ATOM 840 N GLY A 53 42.573 34.666 17.944 1.00 0.00 N ATOM 841 CA GLY A 53 41.339 34.130 17.409 1.00 0.00 C ATOM 842 C GLY A 53 40.050 34.654 18.044 1.00 0.00 C ATOM 843 O GLY A 53 38.968 34.330 17.557 1.00 0.00 O ATOM 0 H GLY A 53 43.084 33.998 18.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.307 34.343 16.340 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.360 33.046 17.518 1.00 0.00 H new ATOM 847 N ARG A 54 40.133 35.430 19.120 1.00 0.00 N ATOM 848 CA ARG A 54 39.023 35.862 19.943 1.00 0.00 C ATOM 849 C ARG A 54 38.691 37.342 19.745 1.00 0.00 C ATOM 850 O ARG A 54 39.455 38.080 19.125 1.00 0.00 O ATOM 851 CB ARG A 54 39.335 35.543 21.403 1.00 0.00 C ATOM 852 CG ARG A 54 39.796 34.121 21.709 1.00 0.00 C ATOM 853 CD ARG A 54 38.843 33.011 21.277 1.00 0.00 C ATOM 854 NE ARG A 54 37.594 32.991 22.039 1.00 0.00 N ATOM 855 CZ ARG A 54 37.429 32.528 23.286 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.408 31.987 24.023 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.223 32.612 23.863 1.00 0.00 N ATOM 0 H ARG A 54 41.027 35.790 19.454 1.00 0.00 H new ATOM 0 HA ARG A 54 38.130 35.317 19.637 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.107 36.232 21.745 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.442 35.746 21.994 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.758 33.958 21.224 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.962 34.035 22.783 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.613 33.131 20.218 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.343 32.049 21.387 1.00 0.00 H new ATOM 0 HE ARG A 54 36.767 33.367 21.575 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.350 31.908 23.640 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.211 31.654 24.967 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.442 33.025 23.354 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.086 32.263 24.812 1.00 0.00 H new ATOM 871 N THR A 55 37.555 37.786 20.278 1.00 0.00 N ATOM 872 CA THR A 55 37.026 39.131 20.202 1.00 0.00 C ATOM 873 C THR A 55 36.957 39.849 21.551 1.00 0.00 C ATOM 874 O THR A 55 37.102 39.231 22.604 1.00 0.00 O ATOM 875 CB THR A 55 35.637 39.161 19.568 1.00 0.00 C ATOM 876 OG1 THR A 55 34.703 38.499 20.391 1.00 0.00 O ATOM 877 CG2 THR A 55 35.572 38.539 18.176 1.00 0.00 C ATOM 0 H THR A 55 36.943 37.167 20.810 1.00 0.00 H new ATOM 0 HA THR A 55 37.739 39.664 19.573 1.00 0.00 H new ATOM 0 HB THR A 55 35.396 40.219 19.466 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.891 37.537 20.391 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.552 38.601 17.797 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.241 39.078 17.505 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.876 37.494 18.230 1.00 0.00 H new ATOM 885 N LEU A 56 36.650 41.142 21.537 1.00 0.00 N ATOM 886 CA LEU A 56 36.277 41.870 22.733 1.00 0.00 C ATOM 887 C LEU A 56 35.097 41.221 23.457 1.00 0.00 C ATOM 888 O LEU A 56 35.132 41.098 24.679 1.00 0.00 O ATOM 889 CB LEU A 56 35.967 43.323 22.384 1.00 0.00 C ATOM 890 CG LEU A 56 37.135 44.163 21.875 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.698 45.617 21.714 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.360 44.159 22.785 1.00 0.00 C ATOM 0 H LEU A 56 36.654 41.711 20.691 1.00 0.00 H new ATOM 0 HA LEU A 56 37.124 41.840 23.418 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.184 43.333 21.626 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.559 43.808 23.271 1.00 0.00 H new ATOM 0 HG LEU A 56 37.421 43.704 20.928 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.537 46.211 21.350 1.00 0.00 H new ATOM 0 HD12 LEU A 56 35.877 45.673 20.999 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.368 46.007 22.677 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.141 44.781 22.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.088 44.555 23.763 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.728 43.139 22.896 1.00 0.00 H new ATOM 904 N SER A 57 34.093 40.737 22.730 1.00 0.00 N ATOM 905 CA SER A 57 32.955 40.044 23.298 1.00 0.00 C ATOM 906 C SER A 57 33.266 38.664 23.885 1.00 0.00 C ATOM 907 O SER A 57 32.580 38.246 24.815 1.00 0.00 O ATOM 908 CB SER A 57 31.825 39.962 22.276 1.00 0.00 C ATOM 909 OG SER A 57 32.083 38.988 21.289 1.00 0.00 O ATOM 0 H SER A 57 34.053 40.820 21.714 1.00 0.00 H new ATOM 0 HA SER A 57 32.642 40.644 24.153 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.891 39.725 22.785 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.692 40.934 21.802 1.00 0.00 H new ATOM 0 HG SER A 57 33.043 38.969 21.091 1.00 0.00 H new ATOM 915 N ASP A 58 34.305 37.971 23.431 1.00 0.00 N ATOM 916 CA ASP A 58 34.781 36.742 24.033 1.00 0.00 C ATOM 917 C ASP A 58 35.377 36.952 25.427 1.00 0.00 C ATOM 918 O ASP A 58 35.324 36.051 26.259 1.00 0.00 O ATOM 919 CB ASP A 58 35.854 36.101 23.157 1.00 0.00 C ATOM 920 CG ASP A 58 35.295 35.418 21.908 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.771 34.290 22.039 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.455 35.976 20.801 1.00 0.00 O ATOM 0 H ASP A 58 34.848 38.259 22.617 1.00 0.00 H new ATOM 0 HA ASP A 58 33.908 36.096 24.123 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.569 36.866 22.854 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.403 35.368 23.747 1.00 0.00 H new ATOM 927 N TYR A 59 35.918 38.140 25.683 1.00 0.00 N ATOM 928 CA TYR A 59 36.480 38.559 26.951 1.00 0.00 C ATOM 929 C TYR A 59 35.617 39.585 27.689 1.00 0.00 C ATOM 930 O TYR A 59 36.064 40.150 28.686 1.00 0.00 O ATOM 931 CB TYR A 59 37.919 39.020 26.741 1.00 0.00 C ATOM 932 CG TYR A 59 38.866 37.926 26.308 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.247 36.938 27.225 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.410 37.931 25.018 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.170 35.951 26.859 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.347 36.959 24.646 1.00 0.00 C ATOM 937 CZ TYR A 59 40.728 35.961 25.565 1.00 0.00 C ATOM 938 OH TYR A 59 41.641 35.016 25.200 1.00 0.00 O ATOM 0 H TYR A 59 35.976 38.869 24.972 1.00 0.00 H new ATOM 0 HA TYR A 59 36.491 37.698 27.619 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.929 39.811 25.991 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.287 39.457 27.669 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.826 36.938 28.220 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.106 38.686 24.308 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.453 35.185 27.566 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.777 36.974 23.656 1.00 0.00 H new ATOM 0 HH TYR A 59 41.375 34.617 24.345 1.00 0.00 H new ATOM 948 N ASN A 60 34.378 39.806 27.260 1.00 0.00 N ATOM 949 CA ASN A 60 33.416 40.679 27.900 1.00 0.00 C ATOM 950 C ASN A 60 33.912 42.110 28.116 1.00 0.00 C ATOM 951 O ASN A 60 33.628 42.747 29.128 1.00 0.00 O ATOM 952 CB ASN A 60 32.872 39.949 29.125 1.00 0.00 C ATOM 953 CG ASN A 60 31.713 40.653 29.834 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.797 40.967 31.019 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.596 40.905 29.156 1.00 0.00 N ATOM 0 H ASN A 60 34.007 39.360 26.421 1.00 0.00 H new ATOM 0 HA ASN A 60 32.576 40.873 27.233 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.543 38.955 28.821 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.685 39.811 29.838 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.809 41.359 29.620 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.527 40.644 28.172 1.00 0.00 H new ATOM 962 N ILE A 61 34.698 42.629 27.176 1.00 0.00 N ATOM 963 CA ILE A 61 35.222 43.980 27.203 1.00 0.00 C ATOM 964 C ILE A 61 34.149 44.949 26.704 1.00 0.00 C ATOM 965 O ILE A 61 33.662 44.809 25.583 1.00 0.00 O ATOM 966 CB ILE A 61 36.511 44.088 26.392 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.576 43.043 26.718 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.109 45.487 26.512 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.088 43.015 28.155 1.00 0.00 C ATOM 0 H ILE A 61 34.993 42.102 26.354 1.00 0.00 H new ATOM 0 HA ILE A 61 35.478 44.247 28.228 1.00 0.00 H new ATOM 0 HB ILE A 61 36.206 43.886 25.365 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.171 42.059 26.481 1.00 0.00 H new ATOM 0 HG13 ILE A 61 38.427 43.206 26.056 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.027 45.542 25.926 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.395 46.221 26.138 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.333 45.699 27.558 1.00 0.00 H new ATOM 0 HD11 ILE A 61 38.839 42.232 28.259 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.533 43.979 28.402 1.00 0.00 H new ATOM 0 HD13 ILE A 61 37.258 42.814 28.833 1.00 0.00 H new ATOM 981 N GLN A 62 33.775 45.910 27.542 1.00 0.00 N ATOM 982 CA GLN A 62 32.826 46.965 27.252 1.00 0.00 C ATOM 983 C GLN A 62 33.511 48.268 26.836 1.00 0.00 C ATOM 984 O GLN A 62 34.736 48.360 26.826 1.00 0.00 O ATOM 985 CB GLN A 62 31.906 47.143 28.457 1.00 0.00 C ATOM 986 CG GLN A 62 30.940 45.969 28.588 1.00 0.00 C ATOM 987 CD GLN A 62 29.933 46.073 29.735 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.942 46.973 30.570 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.019 45.110 29.818 1.00 0.00 N ATOM 0 H GLN A 62 34.148 45.972 28.489 1.00 0.00 H new ATOM 0 HA GLN A 62 32.225 46.677 26.390 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.503 47.230 29.365 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.344 48.071 28.355 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.390 45.867 27.652 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.520 45.056 28.718 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.005 44.359 29.128 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.332 45.123 30.572 1.00 0.00 H new ATOM 998 N LYS A 63 32.727 49.293 26.511 1.00 0.00 N ATOM 999 CA LYS A 63 33.184 50.642 26.242 1.00 0.00 C ATOM 1000 C LYS A 63 34.169 51.161 27.291 1.00 0.00 C ATOM 1001 O LYS A 63 34.104 50.766 28.453 1.00 0.00 O ATOM 1002 CB LYS A 63 31.981 51.575 26.151 1.00 0.00 C ATOM 1003 CG LYS A 63 31.326 51.829 27.505 1.00 0.00 C ATOM 1004 CD LYS A 63 30.100 52.732 27.391 1.00 0.00 C ATOM 1005 CE LYS A 63 29.565 53.093 28.774 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.004 51.935 29.486 1.00 0.00 N ATOM 0 H LYS A 63 31.715 49.196 26.426 1.00 0.00 H new ATOM 0 HA LYS A 63 33.721 50.618 25.294 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.296 52.526 25.721 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.245 51.146 25.471 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.035 50.878 27.950 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.051 52.287 28.178 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.361 53.640 26.848 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.323 52.228 26.815 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.370 53.525 29.369 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.796 53.859 28.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.610 52.245 30.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.251 51.505 28.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.754 51.234 29.654 1.00 0.00 H new ATOM 1020 N GLU A 64 35.023 52.110 26.916 1.00 0.00 N ATOM 1021 CA GLU A 64 35.860 52.883 27.811 1.00 0.00 C ATOM 1022 C GLU A 64 36.855 52.069 28.641 1.00 0.00 C ATOM 1023 O GLU A 64 37.455 52.589 29.580 1.00 0.00 O ATOM 1024 CB GLU A 64 35.004 53.800 28.681 1.00 0.00 C ATOM 1025 CG GLU A 64 34.055 54.752 27.959 1.00 0.00 C ATOM 1026 CD GLU A 64 34.756 55.987 27.391 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.299 56.783 28.188 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.713 56.197 26.160 1.00 0.00 O ATOM 0 H GLU A 64 35.151 52.367 25.937 1.00 0.00 H new ATOM 0 HA GLU A 64 36.496 53.489 27.166 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.413 53.176 29.351 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.671 54.395 29.305 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.562 54.217 27.147 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.275 55.071 28.651 1.00 0.00 H new ATOM 1035 N SER A 65 37.052 50.794 28.320 1.00 0.00 N ATOM 1036 CA SER A 65 37.967 49.898 28.998 1.00 0.00 C ATOM 1037 C SER A 65 39.432 50.263 28.752 1.00 0.00 C ATOM 1038 O SER A 65 39.789 50.638 27.637 1.00 0.00 O ATOM 1039 CB SER A 65 37.759 48.458 28.538 1.00 0.00 C ATOM 1040 OG SER A 65 36.455 48.012 28.835 1.00 0.00 O ATOM 0 H SER A 65 36.557 50.345 27.550 1.00 0.00 H new ATOM 0 HA SER A 65 37.750 49.997 30.062 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.935 48.387 27.465 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.488 47.809 29.024 1.00 0.00 H new ATOM 0 HG SER A 65 35.922 47.988 28.013 1.00 0.00 H new ATOM 1046 N THR A 66 40.288 50.083 29.754 1.00 0.00 N ATOM 1047 CA THR A 66 41.727 50.171 29.612 1.00 0.00 C ATOM 1048 C THR A 66 42.346 48.773 29.625 1.00 0.00 C ATOM 1049 O THR A 66 42.023 47.952 30.481 1.00 0.00 O ATOM 1050 CB THR A 66 42.341 51.077 30.675 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.879 52.399 30.508 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.859 51.185 30.573 1.00 0.00 C ATOM 0 H THR A 66 39.988 49.868 30.705 1.00 0.00 H new ATOM 0 HA THR A 66 41.950 50.628 28.648 1.00 0.00 H new ATOM 0 HB THR A 66 42.055 50.630 31.627 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.277 52.974 31.195 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.230 51.844 31.358 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.303 50.196 30.689 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.130 51.592 29.599 1.00 0.00 H new ATOM 1060 N LEU A 67 43.233 48.492 28.675 1.00 0.00 N ATOM 1061 CA LEU A 67 43.992 47.268 28.515 1.00 0.00 C ATOM 1062 C LEU A 67 45.485 47.572 28.656 1.00 0.00 C ATOM 1063 O LEU A 67 45.914 48.712 28.488 1.00 0.00 O ATOM 1064 CB LEU A 67 43.703 46.653 27.149 1.00 0.00 C ATOM 1065 CG LEU A 67 42.383 45.910 26.965 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.133 46.778 27.078 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.357 45.273 25.578 1.00 0.00 C ATOM 0 H LEU A 67 43.452 49.169 27.945 1.00 0.00 H new ATOM 0 HA LEU A 67 43.700 46.555 29.286 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.744 47.451 26.408 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.512 45.960 26.916 1.00 0.00 H new ATOM 0 HG LEU A 67 42.350 45.184 27.777 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.247 46.160 26.933 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.097 47.237 28.066 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.161 47.557 26.316 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.416 44.740 25.440 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.449 46.050 24.819 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.187 44.573 25.483 1.00 0.00 H new ATOM 1079 N HIS A 68 46.299 46.557 28.935 1.00 0.00 N ATOM 1080 CA HIS A 68 47.740 46.672 29.009 1.00 0.00 C ATOM 1081 C HIS A 68 48.444 45.944 27.862 1.00 0.00 C ATOM 1082 O HIS A 68 47.965 44.924 27.373 1.00 0.00 O ATOM 1083 CB HIS A 68 48.240 46.210 30.374 1.00 0.00 C ATOM 1084 CG HIS A 68 48.306 47.345 31.360 1.00 0.00 C ATOM 1085 ND1 HIS A 68 49.481 47.888 31.874 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.239 48.035 31.873 1.00 0.00 C ATOM 1087 CE1 HIS A 68 49.111 48.902 32.660 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.773 49.014 32.686 1.00 0.00 N ATOM 0 H HIS A 68 45.960 45.613 29.119 1.00 0.00 H new ATOM 0 HA HIS A 68 47.995 47.725 28.893 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.580 45.433 30.759 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.229 45.764 30.267 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.193 47.850 31.680 1.00 0.00 H new ATOM 0 HE1 HIS A 68 49.793 49.543 33.200 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.242 49.705 33.216 1.00 0.00 H new ATOM 1096 N LEU A 69 49.601 46.468 27.465 1.00 0.00 N ATOM 1097 CA LEU A 69 50.499 45.935 26.461 1.00 0.00 C ATOM 1098 C LEU A 69 51.877 45.672 27.069 1.00 0.00 C ATOM 1099 O LEU A 69 52.365 46.462 27.875 1.00 0.00 O ATOM 1100 CB LEU A 69 50.539 46.921 25.297 1.00 0.00 C ATOM 1101 CG LEU A 69 51.599 46.695 24.223 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.439 45.381 23.463 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.535 47.815 23.189 1.00 0.00 C ATOM 0 H LEU A 69 49.954 47.336 27.868 1.00 0.00 H new ATOM 0 HA LEU A 69 50.148 44.973 26.087 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.562 46.912 24.814 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.682 47.921 25.707 1.00 0.00 H new ATOM 0 HG LEU A 69 52.550 46.671 24.756 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.229 45.293 22.717 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.505 44.547 24.161 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.469 45.363 22.967 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.294 47.648 22.425 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.549 47.826 22.725 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.716 48.772 23.678 1.00 0.00 H new ATOM 1115 N VAL A 70 52.509 44.582 26.643 1.00 0.00 N ATOM 1116 CA VAL A 70 53.904 44.251 26.859 1.00 0.00 C ATOM 1117 C VAL A 70 54.495 43.707 25.556 1.00 0.00 C ATOM 1118 O VAL A 70 53.836 42.953 24.845 1.00 0.00 O ATOM 1119 CB VAL A 70 54.069 43.244 27.993 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.534 42.910 28.260 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.466 43.735 29.306 1.00 0.00 C ATOM 0 H VAL A 70 52.025 43.864 26.104 1.00 0.00 H new ATOM 0 HA VAL A 70 54.440 45.153 27.153 1.00 0.00 H new ATOM 0 HB VAL A 70 53.537 42.355 27.653 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.600 42.190 29.075 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.979 42.483 27.361 1.00 0.00 H new ATOM 0 HG13 VAL A 70 56.070 43.819 28.534 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.612 42.980 30.078 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.955 44.661 29.607 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.399 43.915 29.172 1.00 0.00 H new