USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 30 GLN : amide:sc= 0.201 K(o=0.19,f=-5.5!) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.0122 K(o=0.19,f=-4.8!) USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= 0.338 (180deg=0.269) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0289 (180deg=-0.618) USER MOD Single : A 16 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.3) USER MOD Single : A 17 SER OG : rot 180:sc=-0.00144 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 100:sc= 0.802 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 CYS SG : rot -169:sc= -0.0646 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.5) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 45 THR OG1 : rot 60:sc= 0.407 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0615) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.5) USER MOD Single : A 56 TYR OH : rot -30:sc= -0.863 USER MOD Single : A 58 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.17) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0929 K(o=-0.093,f=-1.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.073 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0789 USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= 1.46 (180deg=0.856) USER MOD Single : A 80 TYR OH : rot -134:sc= 0.929 USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.921 17.984 6.633 1.00 0.00 N ATOM 174 CA ILE A 11 11.688 17.224 6.799 1.00 0.00 C ATOM 175 C ILE A 11 10.488 18.151 6.959 1.00 0.00 C ATOM 176 O ILE A 11 10.538 19.122 7.714 1.00 0.00 O ATOM 177 CB ILE A 11 11.764 16.286 8.017 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.933 15.310 7.865 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.455 15.530 8.187 1.00 0.00 C ATOM 180 CD1 ILE A 11 13.721 15.108 9.140 1.00 0.00 C ATOM 0 HA ILE A 11 11.563 16.625 5.897 1.00 0.00 H new ATOM 0 HB ILE A 11 11.931 16.888 8.910 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.550 14.347 7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.603 15.677 7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.525 14.871 9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.642 16.240 8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.259 14.936 7.294 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.533 14.404 8.958 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.134 16.062 9.468 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.064 14.712 9.915 1.00 0.00 H new ATOM 192 N ALA A 12 9.410 17.844 6.245 1.00 0.00 N ATOM 193 CA ALA A 12 8.196 18.647 6.311 1.00 0.00 C ATOM 194 C ALA A 12 6.987 17.787 6.664 1.00 0.00 C ATOM 195 O ALA A 12 6.610 16.889 5.911 1.00 0.00 O ATOM 196 CB ALA A 12 7.967 19.367 4.990 1.00 0.00 C ATOM 0 H ALA A 12 9.353 17.045 5.614 1.00 0.00 H new ATOM 0 HA ALA A 12 8.323 19.389 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.057 19.963 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.814 20.020 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.866 18.635 4.189 1.00 0.00 H new ATOM 202 N LYS A 13 6.382 18.067 7.813 1.00 0.00 N ATOM 203 CA LYS A 13 5.215 17.320 8.266 1.00 0.00 C ATOM 204 C LYS A 13 4.189 18.250 8.906 1.00 0.00 C ATOM 205 O LYS A 13 4.544 19.255 9.521 1.00 0.00 O ATOM 206 CB LYS A 13 5.632 16.239 9.265 1.00 0.00 C ATOM 207 CG LYS A 13 5.992 16.784 10.637 1.00 0.00 C ATOM 208 CD LYS A 13 6.325 15.667 11.611 1.00 0.00 C ATOM 209 CE LYS A 13 7.735 15.140 11.395 1.00 0.00 C ATOM 210 NZ LYS A 13 8.400 14.793 12.682 1.00 0.00 N ATOM 0 H LYS A 13 6.681 18.807 8.448 1.00 0.00 H new ATOM 0 HA LYS A 13 4.758 16.846 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.819 15.521 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.487 15.696 8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.844 17.458 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.160 17.371 11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.225 16.032 12.633 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.609 14.854 11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.699 14.258 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.327 15.890 10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.063 14.007 12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.920 15.620 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.682 14.510 13.379 1.00 0.00 H new ATOM 224 N LYS A 14 2.914 17.907 8.758 1.00 0.00 N ATOM 225 CA LYS A 14 1.835 18.708 9.323 1.00 0.00 C ATOM 226 C LYS A 14 1.335 18.103 10.631 1.00 0.00 C ATOM 227 O LYS A 14 0.902 16.951 10.668 1.00 0.00 O ATOM 228 CB LYS A 14 0.679 18.820 8.327 1.00 0.00 C ATOM 229 CG LYS A 14 0.818 19.984 7.361 1.00 0.00 C ATOM 230 CD LYS A 14 -0.506 20.317 6.694 1.00 0.00 C ATOM 231 CE LYS A 14 -0.635 19.636 5.341 1.00 0.00 C ATOM 232 NZ LYS A 14 -0.741 18.157 5.472 1.00 0.00 N ATOM 0 H LYS A 14 2.603 17.079 8.251 1.00 0.00 H new ATOM 0 HA LYS A 14 2.227 19.704 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.610 17.893 7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.255 18.926 8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.187 20.859 7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.559 19.739 6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.328 20.006 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.590 21.396 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.515 20.019 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.229 19.885 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.142 17.759 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.204 17.754 5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.360 17.923 6.275 1.00 0.00 H new ATOM 246 N ILE A 15 1.398 18.887 11.702 1.00 0.00 N ATOM 247 CA ILE A 15 0.950 18.429 13.011 1.00 0.00 C ATOM 248 C ILE A 15 -0.290 19.191 13.466 1.00 0.00 C ATOM 249 O ILE A 15 -0.748 20.111 12.790 1.00 0.00 O ATOM 250 CB ILE A 15 2.055 18.588 14.073 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.427 20.063 14.235 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.277 17.766 13.692 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.348 20.328 15.405 1.00 0.00 C ATOM 0 H ILE A 15 1.755 19.842 11.689 1.00 0.00 H new ATOM 0 HA ILE A 15 0.706 17.372 12.908 1.00 0.00 H new ATOM 0 HB ILE A 15 1.678 18.221 15.028 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.906 20.411 13.320 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.516 20.648 14.360 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.049 17.888 14.452 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.000 16.714 13.622 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.658 18.106 12.729 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.570 21.394 15.459 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.864 20.011 16.328 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.275 19.771 15.272 1.00 0.00 H new ATOM 265 N ASN A 16 -0.827 18.803 14.618 1.00 0.00 N ATOM 266 CA ASN A 16 -2.014 19.452 15.165 1.00 0.00 C ATOM 267 C ASN A 16 -1.885 19.640 16.673 1.00 0.00 C ATOM 268 O ASN A 16 -2.867 19.918 17.361 1.00 0.00 O ATOM 269 CB ASN A 16 -3.263 18.627 14.847 1.00 0.00 C ATOM 270 CG ASN A 16 -3.289 18.146 13.409 1.00 0.00 C ATOM 271 OD1 ASN A 16 -2.918 17.010 13.116 1.00 0.00 O ATOM 272 ND2 ASN A 16 -3.728 19.013 12.504 1.00 0.00 N ATOM 0 H ASN A 16 -0.460 18.043 15.191 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.107 20.434 14.702 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.307 17.767 15.515 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.151 19.228 15.042 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.768 18.747 11.520 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.026 19.945 12.793 1.00 0.00 H new ATOM 279 N SER A 17 -0.666 19.486 17.181 1.00 0.00 N ATOM 280 CA SER A 17 -0.408 19.636 18.608 1.00 0.00 C ATOM 281 C SER A 17 0.910 20.365 18.849 1.00 0.00 C ATOM 282 O SER A 17 1.948 19.991 18.303 1.00 0.00 O ATOM 283 CB SER A 17 -0.378 18.266 19.289 1.00 0.00 C ATOM 284 OG SER A 17 -1.283 17.369 18.669 1.00 0.00 O ATOM 0 H SER A 17 0.158 19.257 16.625 1.00 0.00 H new ATOM 0 HA SER A 17 -1.215 20.230 19.037 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.631 17.857 19.246 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.633 18.375 20.343 1.00 0.00 H new ATOM 0 HG SER A 17 -1.244 16.500 19.121 1.00 0.00 H new ATOM 290 N VAL A 18 0.861 21.409 19.670 1.00 0.00 N ATOM 291 CA VAL A 18 2.051 22.191 19.985 1.00 0.00 C ATOM 292 C VAL A 18 3.007 21.403 20.873 1.00 0.00 C ATOM 293 O VAL A 18 4.191 21.727 20.969 1.00 0.00 O ATOM 294 CB VAL A 18 1.685 23.511 20.688 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.703 24.311 19.846 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.113 23.237 22.071 1.00 0.00 C ATOM 0 H VAL A 18 0.010 21.733 20.129 1.00 0.00 H new ATOM 0 HA VAL A 18 2.542 22.416 19.038 1.00 0.00 H new ATOM 0 HB VAL A 18 2.593 24.103 20.805 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.456 25.240 20.359 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.153 24.539 18.880 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.205 23.728 19.694 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.860 24.181 22.554 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.216 22.624 21.979 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.853 22.709 22.673 1.00 0.00 H new ATOM 306 N ASP A 19 2.486 20.367 21.521 1.00 0.00 N ATOM 307 CA ASP A 19 3.294 19.530 22.401 1.00 0.00 C ATOM 308 C ASP A 19 4.433 18.871 21.629 1.00 0.00 C ATOM 309 O ASP A 19 5.542 18.726 22.143 1.00 0.00 O ATOM 310 CB ASP A 19 2.424 18.461 23.064 1.00 0.00 C ATOM 311 CG ASP A 19 3.174 17.682 24.127 1.00 0.00 C ATOM 312 OD1 ASP A 19 3.875 18.315 24.943 1.00 0.00 O ATOM 313 OD2 ASP A 19 3.058 16.439 24.142 1.00 0.00 O ATOM 0 H ASP A 19 1.508 20.086 21.454 1.00 0.00 H new ATOM 0 HA ASP A 19 3.724 20.167 23.174 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.551 18.934 23.513 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.057 17.772 22.303 1.00 0.00 H new ATOM 318 N ASP A 20 4.151 18.472 20.394 1.00 0.00 N ATOM 319 CA ASP A 20 5.151 17.828 19.551 1.00 0.00 C ATOM 320 C ASP A 20 6.040 18.866 18.872 1.00 0.00 C ATOM 321 O ASP A 20 6.165 18.884 17.647 1.00 0.00 O ATOM 322 CB ASP A 20 4.473 16.952 18.497 1.00 0.00 C ATOM 323 CG ASP A 20 4.116 15.578 19.028 1.00 0.00 C ATOM 324 OD1 ASP A 20 5.008 14.704 19.062 1.00 0.00 O ATOM 325 OD2 ASP A 20 2.945 15.376 19.412 1.00 0.00 O ATOM 0 H ASP A 20 3.237 18.583 19.954 1.00 0.00 H new ATOM 0 HA ASP A 20 5.776 17.201 20.186 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.569 17.448 18.144 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.135 16.845 17.637 1.00 0.00 H new ATOM 330 N ILE A 21 6.653 19.728 19.676 1.00 0.00 N ATOM 331 CA ILE A 21 7.530 20.768 19.153 1.00 0.00 C ATOM 332 C ILE A 21 8.876 20.765 19.869 1.00 0.00 C ATOM 333 O ILE A 21 8.942 20.585 21.086 1.00 0.00 O ATOM 334 CB ILE A 21 6.892 22.164 19.289 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.592 22.235 18.486 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.865 23.238 18.829 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.854 23.546 18.645 1.00 0.00 C ATOM 0 H ILE A 21 6.559 19.727 20.692 1.00 0.00 H new ATOM 0 HA ILE A 21 7.683 20.548 18.096 1.00 0.00 H new ATOM 0 HB ILE A 21 6.658 22.340 20.339 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.817 22.080 17.431 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.938 21.420 18.796 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.400 24.218 18.931 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.766 23.199 19.441 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.128 23.068 17.785 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.942 23.525 18.048 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.597 23.694 19.694 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.490 24.365 18.308 1.00 0.00 H new ATOM 349 N ILE A 22 9.946 20.965 19.107 1.00 0.00 N ATOM 350 CA ILE A 22 11.290 20.988 19.670 1.00 0.00 C ATOM 351 C ILE A 22 12.010 22.286 19.321 1.00 0.00 C ATOM 352 O ILE A 22 11.470 23.136 18.613 1.00 0.00 O ATOM 353 CB ILE A 22 12.130 19.797 19.170 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.027 19.676 17.649 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.675 18.510 19.842 1.00 0.00 C ATOM 356 CD1 ILE A 22 12.961 18.642 17.061 1.00 0.00 C ATOM 0 H ILE A 22 9.908 21.113 18.099 1.00 0.00 H new ATOM 0 HA ILE A 22 11.180 20.916 20.752 1.00 0.00 H new ATOM 0 HB ILE A 22 13.174 19.971 19.432 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.001 19.422 17.381 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.242 20.646 17.200 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.277 17.677 19.479 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.795 18.601 20.922 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.626 18.328 19.608 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.834 18.610 15.979 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.992 18.906 17.298 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.731 17.663 17.482 1.00 0.00 H new ATOM 368 N ILE A 23 13.233 22.430 19.821 1.00 0.00 N ATOM 369 CA ILE A 23 14.029 23.623 19.559 1.00 0.00 C ATOM 370 C ILE A 23 14.559 23.627 18.129 1.00 0.00 C ATOM 371 O ILE A 23 14.908 24.676 17.587 1.00 0.00 O ATOM 372 CB ILE A 23 15.215 23.734 20.535 1.00 0.00 C ATOM 373 CG1 ILE A 23 14.711 23.794 21.979 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.055 24.960 20.210 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.569 22.435 22.626 1.00 0.00 C ATOM 0 H ILE A 23 13.694 21.736 20.409 1.00 0.00 H new ATOM 0 HA ILE A 23 13.370 24.480 19.702 1.00 0.00 H new ATOM 0 HB ILE A 23 15.842 22.849 20.425 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.398 24.399 22.570 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.745 24.299 21.998 1.00 0.00 H new ATOM 0 HG21 ILE A 23 16.889 25.025 20.908 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.439 24.879 19.193 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.440 25.856 20.296 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.208 22.554 23.647 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.859 21.834 22.058 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.538 21.936 22.640 1.00 0.00 H new ATOM 387 N LYS A 24 14.617 22.447 17.522 1.00 0.00 N ATOM 388 CA LYS A 24 15.101 22.313 16.154 1.00 0.00 C ATOM 389 C LYS A 24 13.943 22.336 15.162 1.00 0.00 C ATOM 390 O LYS A 24 14.139 22.156 13.959 1.00 0.00 O ATOM 391 CB LYS A 24 15.895 21.014 15.997 1.00 0.00 C ATOM 392 CG LYS A 24 17.052 20.886 16.973 1.00 0.00 C ATOM 393 CD LYS A 24 18.033 22.038 16.829 1.00 0.00 C ATOM 394 CE LYS A 24 18.679 22.051 15.452 1.00 0.00 C ATOM 395 NZ LYS A 24 19.964 22.802 15.449 1.00 0.00 N ATOM 0 H LYS A 24 14.334 21.569 17.957 1.00 0.00 H new ATOM 0 HA LYS A 24 15.754 23.159 15.942 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.221 20.168 16.132 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.281 20.955 14.979 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.668 20.859 17.993 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.570 19.942 16.803 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.515 22.982 16.998 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.805 21.957 17.594 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.856 21.027 15.125 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.994 22.501 14.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.372 22.787 14.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.791 23.786 15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.627 22.358 16.115 1.00 0.00 H new ATOM 409 N CYS A 25 12.737 22.559 15.672 1.00 0.00 N ATOM 410 CA CYS A 25 11.547 22.606 14.830 1.00 0.00 C ATOM 411 C CYS A 25 11.285 24.026 14.338 1.00 0.00 C ATOM 412 O CYS A 25 11.740 24.996 14.943 1.00 0.00 O ATOM 413 CB CYS A 25 10.331 22.089 15.600 1.00 0.00 C ATOM 414 SG CYS A 25 9.262 20.991 14.641 1.00 0.00 S ATOM 0 H CYS A 25 12.557 22.710 16.665 1.00 0.00 H new ATOM 0 HA CYS A 25 11.719 21.966 13.965 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.675 21.559 16.488 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.744 22.940 15.945 1.00 0.00 H new ATOM 0 HG CYS A 25 9.525 19.755 14.945 1.00 0.00 H new ATOM 420 N GLN A 26 10.551 24.138 13.235 1.00 0.00 N ATOM 421 CA GLN A 26 10.231 25.439 12.661 1.00 0.00 C ATOM 422 C GLN A 26 8.784 25.482 12.181 1.00 0.00 C ATOM 423 O GLN A 26 8.340 24.605 11.439 1.00 0.00 O ATOM 424 CB GLN A 26 11.175 25.753 11.498 1.00 0.00 C ATOM 425 CG GLN A 26 12.642 25.525 11.827 1.00 0.00 C ATOM 426 CD GLN A 26 13.554 25.798 10.648 1.00 0.00 C ATOM 427 OE1 GLN A 26 14.230 24.897 10.149 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.578 27.046 10.194 1.00 0.00 N ATOM 0 H GLN A 26 10.167 23.344 12.722 1.00 0.00 H new ATOM 0 HA GLN A 26 10.359 26.192 13.439 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.903 25.135 10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.036 26.792 11.198 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.928 26.168 12.659 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.780 24.496 12.158 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.002 27.761 10.637 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.173 27.289 9.402 1.00 0.00 H new ATOM 437 N CYS A 27 8.054 26.506 12.610 1.00 0.00 N ATOM 438 CA CYS A 27 6.656 26.662 12.225 1.00 0.00 C ATOM 439 C CYS A 27 6.368 28.095 11.791 1.00 0.00 C ATOM 440 O CYS A 27 7.284 28.904 11.641 1.00 0.00 O ATOM 441 CB CYS A 27 5.740 26.275 13.387 1.00 0.00 C ATOM 442 SG CYS A 27 5.755 27.449 14.762 1.00 0.00 S ATOM 0 H CYS A 27 8.407 27.240 13.224 1.00 0.00 H new ATOM 0 HA CYS A 27 6.461 26.000 11.381 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.720 26.180 13.015 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.036 25.294 13.758 1.00 0.00 H new ATOM 0 HG CYS A 27 5.138 26.930 15.782 1.00 0.00 H new ATOM 448 N TRP A 28 5.092 28.401 11.588 1.00 0.00 N ATOM 449 CA TRP A 28 4.684 29.737 11.168 1.00 0.00 C ATOM 450 C TRP A 28 3.914 30.445 12.277 1.00 0.00 C ATOM 451 O TRP A 28 3.139 29.823 13.003 1.00 0.00 O ATOM 452 CB TRP A 28 3.825 29.657 9.905 1.00 0.00 C ATOM 453 CG TRP A 28 4.605 29.292 8.678 1.00 0.00 C ATOM 454 CD1 TRP A 28 4.972 28.037 8.284 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.114 30.191 7.687 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.679 28.101 7.108 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.779 29.412 6.720 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.072 31.578 7.521 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.397 29.975 5.607 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.685 32.135 6.416 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.339 31.335 5.470 1.00 0.00 C ATOM 0 H TRP A 28 4.322 27.743 11.707 1.00 0.00 H new ATOM 0 HA TRP A 28 5.584 30.313 10.951 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.036 28.921 10.057 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.338 30.619 9.744 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.740 27.128 8.819 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.067 27.303 6.605 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.569 32.203 8.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.904 29.360 4.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.660 33.206 6.279 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.807 31.801 4.615 1.00 0.00 H new ATOM 472 N VAL A 29 4.134 31.750 12.404 1.00 0.00 N ATOM 473 CA VAL A 29 3.459 32.543 13.425 1.00 0.00 C ATOM 474 C VAL A 29 2.689 33.701 12.802 1.00 0.00 C ATOM 475 O VAL A 29 3.124 34.286 11.810 1.00 0.00 O ATOM 476 CB VAL A 29 4.460 33.101 14.454 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.726 33.809 15.583 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.343 31.988 14.997 1.00 0.00 C ATOM 0 H VAL A 29 4.774 32.280 11.813 1.00 0.00 H new ATOM 0 HA VAL A 29 2.760 31.878 13.932 1.00 0.00 H new ATOM 0 HB VAL A 29 5.099 33.829 13.955 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.449 34.197 16.300 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.141 34.634 15.176 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.061 33.105 16.083 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.044 32.401 15.723 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.722 31.234 15.481 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.897 31.530 14.177 1.00 0.00 H new ATOM 488 N GLN A 30 1.542 34.027 13.390 1.00 0.00 N ATOM 489 CA GLN A 30 0.710 35.115 12.891 1.00 0.00 C ATOM 490 C GLN A 30 1.171 36.455 13.457 1.00 0.00 C ATOM 491 O GLN A 30 1.112 36.685 14.665 1.00 0.00 O ATOM 492 CB GLN A 30 -0.756 34.873 13.254 1.00 0.00 C ATOM 493 CG GLN A 30 -1.733 35.661 12.397 1.00 0.00 C ATOM 494 CD GLN A 30 -1.964 35.026 11.040 1.00 0.00 C ATOM 495 OE1 GLN A 30 -1.313 34.044 10.682 1.00 0.00 O ATOM 496 NE2 GLN A 30 -2.895 35.585 10.275 1.00 0.00 N ATOM 0 H GLN A 30 1.168 33.553 14.212 1.00 0.00 H new ATOM 0 HA GLN A 30 0.808 35.145 11.806 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.975 33.810 13.156 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.911 35.135 14.301 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.685 35.744 12.921 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.355 36.674 12.260 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.411 36.398 10.611 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.094 35.201 9.351 1.00 0.00 H new ATOM 505 N LYS A 31 1.630 37.337 12.575 1.00 0.00 N ATOM 506 CA LYS A 31 2.101 38.655 12.985 1.00 0.00 C ATOM 507 C LYS A 31 1.720 39.713 11.955 1.00 0.00 C ATOM 508 O LYS A 31 1.853 39.497 10.751 1.00 0.00 O ATOM 509 CB LYS A 31 3.619 38.639 13.179 1.00 0.00 C ATOM 510 CG LYS A 31 4.081 39.379 14.422 1.00 0.00 C ATOM 511 CD LYS A 31 3.533 38.741 15.687 1.00 0.00 C ATOM 512 CE LYS A 31 4.469 38.951 16.868 1.00 0.00 C ATOM 513 NZ LYS A 31 4.024 38.192 18.070 1.00 0.00 N ATOM 0 H LYS A 31 1.686 37.163 11.572 1.00 0.00 H new ATOM 0 HA LYS A 31 1.623 38.906 13.932 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.959 37.605 13.235 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.093 39.084 12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.170 39.385 14.459 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.758 40.419 14.369 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.556 39.166 15.916 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.386 37.673 15.523 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.476 38.638 16.593 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.519 40.013 17.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.688 38.361 18.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.073 38.508 18.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.000 37.176 17.850 1.00 0.00 H new ATOM 527 N ASN A 32 1.246 40.858 12.437 1.00 0.00 N ATOM 528 CA ASN A 32 0.847 41.950 11.557 1.00 0.00 C ATOM 529 C ASN A 32 -0.133 41.463 10.495 1.00 0.00 C ATOM 530 O ASN A 32 0.058 41.701 9.302 1.00 0.00 O ATOM 531 CB ASN A 32 2.076 42.569 10.888 1.00 0.00 C ATOM 532 CG ASN A 32 1.822 43.986 10.410 1.00 0.00 C ATOM 533 OD1 ASN A 32 0.675 44.405 10.257 1.00 0.00 O ATOM 534 ND2 ASN A 32 2.895 44.731 10.172 1.00 0.00 N ATOM 0 H ASN A 32 1.129 41.053 13.431 1.00 0.00 H new ATOM 0 HA ASN A 32 0.351 42.708 12.163 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.908 42.570 11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.375 41.951 10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.787 45.692 9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.827 44.342 10.313 1.00 0.00 H new ATOM 541 N ASP A 33 -1.184 40.780 10.936 1.00 0.00 N ATOM 542 CA ASP A 33 -2.196 40.259 10.024 1.00 0.00 C ATOM 543 C ASP A 33 -1.553 39.441 8.909 1.00 0.00 C ATOM 544 O ASP A 33 -2.094 39.342 7.808 1.00 0.00 O ATOM 545 CB ASP A 33 -3.012 41.406 9.426 1.00 0.00 C ATOM 546 CG ASP A 33 -3.629 42.293 10.490 1.00 0.00 C ATOM 547 OD1 ASP A 33 -4.528 41.815 11.212 1.00 0.00 O ATOM 548 OD2 ASP A 33 -3.214 43.466 10.599 1.00 0.00 O ATOM 0 H ASP A 33 -1.357 40.574 11.920 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.860 39.607 10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.370 42.008 8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.801 40.997 8.796 1.00 0.00 H new ATOM 553 N GLU A 34 -0.395 38.857 9.202 1.00 0.00 N ATOM 554 CA GLU A 34 0.322 38.049 8.223 1.00 0.00 C ATOM 555 C GLU A 34 0.931 36.813 8.878 1.00 0.00 C ATOM 556 O GLU A 34 0.780 36.598 10.080 1.00 0.00 O ATOM 557 CB GLU A 34 1.419 38.877 7.551 1.00 0.00 C ATOM 558 CG GLU A 34 0.898 39.833 6.491 1.00 0.00 C ATOM 559 CD GLU A 34 2.012 40.560 5.763 1.00 0.00 C ATOM 560 OE1 GLU A 34 2.674 39.932 4.911 1.00 0.00 O ATOM 561 OE2 GLU A 34 2.220 41.759 6.046 1.00 0.00 O ATOM 0 H GLU A 34 0.066 38.929 10.109 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.392 37.723 7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.950 39.447 8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.144 38.202 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.299 39.278 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.238 40.563 6.959 1.00 0.00 H new ATOM 568 N GLU A 35 1.618 36.004 8.078 1.00 0.00 N ATOM 569 CA GLU A 35 2.249 34.789 8.580 1.00 0.00 C ATOM 570 C GLU A 35 3.729 34.752 8.212 1.00 0.00 C ATOM 571 O GLU A 35 4.089 34.827 7.038 1.00 0.00 O ATOM 572 CB GLU A 35 1.542 33.552 8.021 1.00 0.00 C ATOM 573 CG GLU A 35 1.520 33.498 6.503 1.00 0.00 C ATOM 574 CD GLU A 35 0.158 33.121 5.952 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.542 32.314 6.599 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.208 33.634 4.874 1.00 0.00 O ATOM 0 H GLU A 35 1.752 36.168 7.080 1.00 0.00 H new ATOM 0 HA GLU A 35 2.163 34.788 9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.037 32.658 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.517 33.531 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.813 34.469 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.260 32.776 6.158 1.00 0.00 H new ATOM 583 N ARG A 36 4.582 34.636 9.225 1.00 0.00 N ATOM 584 CA ARG A 36 6.023 34.590 9.009 1.00 0.00 C ATOM 585 C ARG A 36 6.617 33.301 9.569 1.00 0.00 C ATOM 586 O ARG A 36 6.155 32.784 10.587 1.00 0.00 O ATOM 587 CB ARG A 36 6.696 35.800 9.661 1.00 0.00 C ATOM 588 CG ARG A 36 5.954 37.107 9.431 1.00 0.00 C ATOM 589 CD ARG A 36 6.915 38.247 9.132 1.00 0.00 C ATOM 590 NE ARG A 36 6.328 39.235 8.230 1.00 0.00 N ATOM 591 CZ ARG A 36 5.493 40.188 8.627 1.00 0.00 C ATOM 592 NH1 ARG A 36 5.148 40.282 9.904 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.000 41.050 7.747 1.00 0.00 N ATOM 0 H ARG A 36 4.300 34.572 10.203 1.00 0.00 H new ATOM 0 HA ARG A 36 6.205 34.616 7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.781 35.624 10.733 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.710 35.894 9.272 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.257 36.990 8.601 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.362 37.351 10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.202 38.733 10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.826 37.846 8.687 1.00 0.00 H new ATOM 0 HE ARG A 36 6.573 39.190 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.524 39.621 10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.506 41.015 10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.262 40.981 6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.359 41.781 8.054 1.00 0.00 H new ATOM 607 N LEU A 37 7.641 32.788 8.898 1.00 0.00 N ATOM 608 CA LEU A 37 8.299 31.558 9.329 1.00 0.00 C ATOM 609 C LEU A 37 9.143 31.800 10.576 1.00 0.00 C ATOM 610 O LEU A 37 10.155 32.498 10.527 1.00 0.00 O ATOM 611 CB LEU A 37 9.176 31.005 8.204 1.00 0.00 C ATOM 612 CG LEU A 37 9.668 29.568 8.382 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.688 28.588 7.756 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.054 29.400 7.775 1.00 0.00 C ATOM 0 H LEU A 37 8.035 33.203 8.054 1.00 0.00 H new ATOM 0 HA LEU A 37 7.527 30.828 9.572 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.615 31.063 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.045 31.654 8.095 1.00 0.00 H new ATOM 0 HG LEU A 37 9.732 29.355 9.449 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.054 27.570 7.892 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.715 28.691 8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.592 28.800 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.388 28.372 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.016 29.632 6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.752 30.077 8.268 1.00 0.00 H new ATOM 626 N ALA A 38 8.720 31.216 11.692 1.00 0.00 N ATOM 627 CA ALA A 38 9.439 31.364 12.952 1.00 0.00 C ATOM 628 C ALA A 38 10.068 30.043 13.383 1.00 0.00 C ATOM 629 O ALA A 38 9.441 28.989 13.292 1.00 0.00 O ATOM 630 CB ALA A 38 8.506 31.886 14.034 1.00 0.00 C ATOM 0 H ALA A 38 7.883 30.636 11.750 1.00 0.00 H new ATOM 0 HA ALA A 38 10.242 32.086 12.802 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.056 31.992 14.969 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.109 32.856 13.735 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.683 31.185 14.174 1.00 0.00 H new ATOM 636 N GLU A 39 11.310 30.110 13.853 1.00 0.00 N ATOM 637 CA GLU A 39 12.023 28.918 14.297 1.00 0.00 C ATOM 638 C GLU A 39 12.007 28.810 15.819 1.00 0.00 C ATOM 639 O GLU A 39 12.211 29.799 16.524 1.00 0.00 O ATOM 640 CB GLU A 39 13.467 28.942 13.791 1.00 0.00 C ATOM 641 CG GLU A 39 14.342 27.859 14.399 1.00 0.00 C ATOM 642 CD GLU A 39 15.662 27.699 13.670 1.00 0.00 C ATOM 643 OE1 GLU A 39 15.807 28.276 12.572 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.551 26.997 14.197 1.00 0.00 O ATOM 0 H GLU A 39 11.842 30.976 13.936 1.00 0.00 H new ATOM 0 HA GLU A 39 11.515 28.047 13.883 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.465 28.830 12.707 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.904 29.916 14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.535 28.098 15.445 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.805 26.911 14.382 1.00 0.00 H new ATOM 651 N ILE A 40 11.763 27.603 16.318 1.00 0.00 N ATOM 652 CA ILE A 40 11.721 27.366 17.756 1.00 0.00 C ATOM 653 C ILE A 40 13.105 27.512 18.378 1.00 0.00 C ATOM 654 O ILE A 40 14.109 27.116 17.785 1.00 0.00 O ATOM 655 CB ILE A 40 11.170 25.964 18.079 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.862 25.719 17.323 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.959 25.811 19.578 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.738 26.638 17.748 1.00 0.00 C ATOM 0 H ILE A 40 11.591 26.774 15.748 1.00 0.00 H new ATOM 0 HA ILE A 40 11.054 28.116 18.180 1.00 0.00 H new ATOM 0 HB ILE A 40 11.898 25.220 17.756 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.040 25.845 16.255 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.552 24.685 17.475 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.569 24.815 19.791 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.909 25.947 20.095 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.247 26.561 19.924 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.842 26.408 17.171 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.533 26.495 18.809 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.028 27.674 17.571 1.00 0.00 H new ATOM 670 N LEU A 41 13.152 28.081 19.577 1.00 0.00 N ATOM 671 CA LEU A 41 14.413 28.278 20.282 1.00 0.00 C ATOM 672 C LEU A 41 14.402 27.561 21.628 1.00 0.00 C ATOM 673 O LEU A 41 15.433 27.073 22.092 1.00 0.00 O ATOM 674 CB LEU A 41 14.678 29.770 20.489 1.00 0.00 C ATOM 675 CG LEU A 41 15.091 30.557 19.244 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.350 32.014 19.596 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.324 29.934 18.605 1.00 0.00 C ATOM 0 H LEU A 41 12.331 28.414 20.082 1.00 0.00 H new ATOM 0 HA LEU A 41 15.211 27.855 19.672 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.777 30.225 20.900 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.461 29.879 21.240 1.00 0.00 H new ATOM 0 HG LEU A 41 14.273 30.518 18.524 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.643 32.559 18.698 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.443 32.455 20.009 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.150 32.073 20.334 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.604 30.506 17.721 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.148 29.943 19.319 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.105 28.906 18.317 1.00 0.00 H new ATOM 689 N SER A 42 13.229 27.498 22.250 1.00 0.00 N ATOM 690 CA SER A 42 13.084 26.842 23.544 1.00 0.00 C ATOM 691 C SER A 42 11.615 26.571 23.854 1.00 0.00 C ATOM 692 O SER A 42 10.727 26.968 23.099 1.00 0.00 O ATOM 693 CB SER A 42 13.700 27.703 24.649 1.00 0.00 C ATOM 694 OG SER A 42 14.512 26.924 25.510 1.00 0.00 O ATOM 0 H SER A 42 12.365 27.893 21.879 1.00 0.00 H new ATOM 0 HA SER A 42 13.610 25.888 23.501 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.296 28.499 24.204 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.908 28.182 25.225 1.00 0.00 H new ATOM 0 HG SER A 42 14.895 27.498 26.206 1.00 0.00 H new ATOM 700 N ILE A 43 11.367 25.893 24.970 1.00 0.00 N ATOM 701 CA ILE A 43 10.007 25.570 25.381 1.00 0.00 C ATOM 702 C ILE A 43 9.815 25.799 26.876 1.00 0.00 C ATOM 703 O ILE A 43 10.732 25.587 27.669 1.00 0.00 O ATOM 704 CB ILE A 43 9.650 24.110 25.047 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.922 23.821 23.569 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.194 23.829 25.387 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.787 22.359 23.205 1.00 0.00 C ATOM 0 H ILE A 43 12.091 25.557 25.605 1.00 0.00 H new ATOM 0 HA ILE A 43 9.344 26.234 24.826 1.00 0.00 H new ATOM 0 HB ILE A 43 10.277 23.452 25.649 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.231 24.404 22.960 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.928 24.158 23.320 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.957 22.793 25.145 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.029 24.000 26.451 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.551 24.493 24.809 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.994 22.228 22.143 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.497 21.772 23.788 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.773 22.022 23.422 1.00 0.00 H new ATOM 719 N ASN A 44 8.617 26.232 27.255 1.00 0.00 N ATOM 720 CA ASN A 44 8.304 26.488 28.656 1.00 0.00 C ATOM 721 C ASN A 44 6.903 25.990 29.000 1.00 0.00 C ATOM 722 O ASN A 44 5.905 26.636 28.677 1.00 0.00 O ATOM 723 CB ASN A 44 8.414 27.984 28.959 1.00 0.00 C ATOM 724 CG ASN A 44 8.034 28.313 30.389 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.310 27.544 31.310 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.395 29.462 30.582 1.00 0.00 N ATOM 0 H ASN A 44 7.847 26.413 26.611 1.00 0.00 H new ATOM 0 HA ASN A 44 9.024 25.946 29.269 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.435 28.316 28.772 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.769 28.538 28.278 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.113 29.737 31.523 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.187 30.069 29.789 1.00 0.00 H new ATOM 733 N THR A 45 6.837 24.837 29.659 1.00 0.00 N ATOM 734 CA THR A 45 5.560 24.252 30.048 1.00 0.00 C ATOM 735 C THR A 45 5.247 24.538 31.512 1.00 0.00 C ATOM 736 O THR A 45 5.173 23.622 32.331 1.00 0.00 O ATOM 737 CB THR A 45 5.547 22.729 29.820 1.00 0.00 C ATOM 738 OG1 THR A 45 6.609 22.114 30.558 1.00 0.00 O ATOM 739 CG2 THR A 45 5.695 22.402 28.341 1.00 0.00 C ATOM 0 H THR A 45 7.653 24.290 29.934 1.00 0.00 H new ATOM 0 HA THR A 45 4.797 24.712 29.420 1.00 0.00 H new ATOM 0 HB THR A 45 4.590 22.340 30.168 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.491 22.295 31.514 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.683 21.321 28.204 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.869 22.847 27.786 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.639 22.804 27.972 1.00 0.00 H new ATOM 747 N ARG A 46 5.062 25.814 31.835 1.00 0.00 N ATOM 748 CA ARG A 46 4.757 26.220 33.202 1.00 0.00 C ATOM 749 C ARG A 46 3.399 26.912 33.273 1.00 0.00 C ATOM 750 O ARG A 46 3.031 27.477 34.303 1.00 0.00 O ATOM 751 CB ARG A 46 5.846 27.153 33.734 1.00 0.00 C ATOM 752 CG ARG A 46 7.039 26.421 34.327 1.00 0.00 C ATOM 753 CD ARG A 46 6.772 25.990 35.761 1.00 0.00 C ATOM 754 NE ARG A 46 7.925 25.320 36.355 1.00 0.00 N ATOM 755 CZ ARG A 46 7.907 24.751 37.555 1.00 0.00 C ATOM 756 NH1 ARG A 46 6.800 24.771 38.285 1.00 0.00 N ATOM 757 NH2 ARG A 46 8.998 24.161 38.028 1.00 0.00 N ATOM 0 H ARG A 46 5.118 26.584 31.169 1.00 0.00 H new ATOM 0 HA ARG A 46 4.721 25.324 33.822 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.191 27.795 32.923 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.415 27.804 34.495 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.269 25.546 33.720 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.916 27.068 34.298 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.512 26.863 36.359 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.912 25.320 35.784 1.00 0.00 H new ATOM 0 HE ARG A 46 8.792 25.287 35.819 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.960 25.224 37.925 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.789 24.333 39.206 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.852 24.144 37.470 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.983 23.724 38.950 1.00 0.00 H new ATOM 771 N LYS A 47 2.659 26.866 32.171 1.00 0.00 N ATOM 772 CA LYS A 47 1.341 27.487 32.107 1.00 0.00 C ATOM 773 C LYS A 47 0.362 26.609 31.335 1.00 0.00 C ATOM 774 O LYS A 47 0.734 25.557 30.815 1.00 0.00 O ATOM 775 CB LYS A 47 1.436 28.865 31.448 1.00 0.00 C ATOM 776 CG LYS A 47 0.501 29.896 32.056 1.00 0.00 C ATOM 777 CD LYS A 47 1.039 31.306 31.885 1.00 0.00 C ATOM 778 CE LYS A 47 0.397 32.271 32.871 1.00 0.00 C ATOM 779 NZ LYS A 47 -1.088 32.269 32.762 1.00 0.00 N ATOM 0 H LYS A 47 2.950 26.405 31.309 1.00 0.00 H new ATOM 0 HA LYS A 47 0.972 27.602 33.126 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.462 29.226 31.526 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.213 28.766 30.386 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.480 29.820 31.587 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.364 29.684 33.116 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.120 31.304 32.027 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.852 31.647 30.867 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.687 31.999 33.886 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.773 33.278 32.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.477 33.063 33.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.363 32.368 31.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.462 31.374 33.137 1.00 0.00 H new ATOM 793 N ALA A 48 -0.890 27.048 31.263 1.00 0.00 N ATOM 794 CA ALA A 48 -1.921 26.303 30.551 1.00 0.00 C ATOM 795 C ALA A 48 -2.840 27.241 29.776 1.00 0.00 C ATOM 796 O ALA A 48 -3.693 27.923 30.344 1.00 0.00 O ATOM 797 CB ALA A 48 -2.728 25.456 31.524 1.00 0.00 C ATOM 0 H ALA A 48 -1.215 27.916 31.689 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.429 25.645 29.835 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.494 24.905 30.978 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.066 24.753 32.030 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.202 26.102 32.262 1.00 0.00 H new ATOM 803 N PRO A 49 -2.663 27.280 28.447 1.00 0.00 N ATOM 804 CA PRO A 49 -1.651 26.473 27.759 1.00 0.00 C ATOM 805 C PRO A 49 -0.232 26.944 28.060 1.00 0.00 C ATOM 806 O PRO A 49 -0.013 28.038 28.580 1.00 0.00 O ATOM 807 CB PRO A 49 -1.980 26.678 26.278 1.00 0.00 C ATOM 808 CG PRO A 49 -2.675 27.994 26.223 1.00 0.00 C ATOM 809 CD PRO A 49 -3.438 28.114 27.513 1.00 0.00 C ATOM 0 HA PRO A 49 -1.677 25.430 28.075 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.076 26.682 25.669 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.616 25.878 25.899 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.959 28.809 26.116 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.347 28.045 25.366 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.495 29.149 27.851 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.462 27.755 27.409 1.00 0.00 H new ATOM 817 N PRO A 50 0.756 26.101 27.725 1.00 0.00 N ATOM 818 CA PRO A 50 2.171 26.411 27.949 1.00 0.00 C ATOM 819 C PRO A 50 2.674 27.521 27.031 1.00 0.00 C ATOM 820 O PRO A 50 1.912 28.083 26.245 1.00 0.00 O ATOM 821 CB PRO A 50 2.878 25.092 27.629 1.00 0.00 C ATOM 822 CG PRO A 50 1.960 24.387 26.691 1.00 0.00 C ATOM 823 CD PRO A 50 0.568 24.781 27.101 1.00 0.00 C ATOM 0 HA PRO A 50 2.353 26.774 28.960 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.853 25.266 27.173 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.049 24.505 28.532 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.159 24.675 25.659 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.094 23.307 26.752 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.103 24.834 26.244 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.137 24.064 27.800 1.00 0.00 H new ATOM 831 N LYS A 51 3.962 27.831 27.137 1.00 0.00 N ATOM 832 CA LYS A 51 4.568 28.872 26.315 1.00 0.00 C ATOM 833 C LYS A 51 5.757 28.324 25.532 1.00 0.00 C ATOM 834 O LYS A 51 6.380 27.343 25.937 1.00 0.00 O ATOM 835 CB LYS A 51 5.017 30.044 27.191 1.00 0.00 C ATOM 836 CG LYS A 51 3.867 30.881 27.724 1.00 0.00 C ATOM 837 CD LYS A 51 4.367 32.096 28.486 1.00 0.00 C ATOM 838 CE LYS A 51 3.302 33.178 28.571 1.00 0.00 C ATOM 839 NZ LYS A 51 3.851 34.457 29.101 1.00 0.00 N ATOM 0 H LYS A 51 4.606 27.376 27.784 1.00 0.00 H new ATOM 0 HA LYS A 51 3.819 29.222 25.605 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.594 29.658 28.031 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.684 30.684 26.613 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.237 31.204 26.895 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.245 30.271 28.379 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.666 31.799 29.491 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.254 32.495 27.995 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.877 33.348 27.582 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.489 32.838 29.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.094 35.169 29.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.234 34.301 30.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.609 34.795 28.475 1.00 0.00 H new ATOM 853 N PHE A 52 6.067 28.965 24.410 1.00 0.00 N ATOM 854 CA PHE A 52 7.182 28.542 23.571 1.00 0.00 C ATOM 855 C PHE A 52 7.983 29.746 23.084 1.00 0.00 C ATOM 856 O PHE A 52 7.447 30.845 22.939 1.00 0.00 O ATOM 857 CB PHE A 52 6.670 27.737 22.374 1.00 0.00 C ATOM 858 CG PHE A 52 5.862 26.533 22.764 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.537 26.666 23.149 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.425 25.267 22.743 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.792 25.559 23.509 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.684 24.157 23.101 1.00 0.00 C ATOM 863 CZ PHE A 52 4.365 24.303 23.483 1.00 0.00 C ATOM 0 H PHE A 52 5.562 29.779 24.061 1.00 0.00 H new ATOM 0 HA PHE A 52 7.837 27.911 24.171 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.061 28.385 21.744 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.520 27.415 21.772 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.082 27.645 23.168 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.456 25.146 22.443 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.762 25.676 23.811 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.136 23.176 23.082 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.783 23.437 23.761 1.00 0.00 H new ATOM 873 N TYR A 53 9.269 29.530 22.833 1.00 0.00 N ATOM 874 CA TYR A 53 10.146 30.597 22.365 1.00 0.00 C ATOM 875 C TYR A 53 10.343 30.516 20.854 1.00 0.00 C ATOM 876 O TYR A 53 10.947 29.573 20.344 1.00 0.00 O ATOM 877 CB TYR A 53 11.500 30.520 23.072 1.00 0.00 C ATOM 878 CG TYR A 53 12.172 31.863 23.242 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.461 32.964 23.703 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.519 32.031 22.942 1.00 0.00 C ATOM 881 CE1 TYR A 53 12.071 34.194 23.858 1.00 0.00 C ATOM 882 CE2 TYR A 53 14.137 33.257 23.096 1.00 0.00 C ATOM 883 CZ TYR A 53 13.409 34.335 23.554 1.00 0.00 C ATOM 884 OH TYR A 53 14.020 35.558 23.709 1.00 0.00 O ATOM 0 H TYR A 53 9.728 28.626 22.946 1.00 0.00 H new ATOM 0 HA TYR A 53 9.674 31.551 22.601 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.363 30.065 24.053 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.159 29.863 22.505 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.414 32.857 23.944 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.092 31.189 22.583 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.503 35.040 24.215 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.185 33.371 22.859 1.00 0.00 H new ATOM 0 HH TYR A 53 14.963 35.487 23.453 1.00 0.00 H new ATOM 894 N VAL A 54 9.829 31.515 20.143 1.00 0.00 N ATOM 895 CA VAL A 54 9.949 31.560 18.691 1.00 0.00 C ATOM 896 C VAL A 54 10.849 32.708 18.249 1.00 0.00 C ATOM 897 O VAL A 54 10.942 33.734 18.924 1.00 0.00 O ATOM 898 CB VAL A 54 8.572 31.714 18.018 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.767 30.430 18.150 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.816 32.891 18.616 1.00 0.00 C ATOM 0 H VAL A 54 9.326 32.304 20.549 1.00 0.00 H new ATOM 0 HA VAL A 54 10.393 30.614 18.381 1.00 0.00 H new ATOM 0 HB VAL A 54 8.725 31.911 16.957 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.797 30.557 17.669 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.305 29.612 17.671 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.621 30.199 19.205 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.845 32.985 18.129 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.672 32.726 19.684 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.388 33.806 18.464 1.00 0.00 H new ATOM 910 N HIS A 55 11.512 32.530 17.110 1.00 0.00 N ATOM 911 CA HIS A 55 12.405 33.552 16.577 1.00 0.00 C ATOM 912 C HIS A 55 12.267 33.657 15.061 1.00 0.00 C ATOM 913 O HIS A 55 12.647 32.743 14.329 1.00 0.00 O ATOM 914 CB HIS A 55 13.854 33.238 16.949 1.00 0.00 C ATOM 915 CG HIS A 55 14.859 33.924 16.075 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.762 35.252 15.717 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.987 33.459 15.490 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.786 35.574 14.947 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.545 34.503 14.794 1.00 0.00 N ATOM 0 H HIS A 55 11.447 31.687 16.539 1.00 0.00 H new ATOM 0 HA HIS A 55 12.125 34.509 17.017 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.026 33.530 17.985 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.010 32.161 16.892 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.376 32.454 15.558 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.971 36.547 14.516 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.405 34.459 14.248 1.00 0.00 H new ATOM 927 N TYR A 56 11.721 34.775 14.597 1.00 0.00 N ATOM 928 CA TYR A 56 11.530 34.997 13.169 1.00 0.00 C ATOM 929 C TYR A 56 12.855 34.894 12.420 1.00 0.00 C ATOM 930 O TYR A 56 13.697 35.788 12.497 1.00 0.00 O ATOM 931 CB TYR A 56 10.899 36.369 12.925 1.00 0.00 C ATOM 932 CG TYR A 56 9.499 36.500 13.481 1.00 0.00 C ATOM 933 CD1 TYR A 56 9.288 36.773 14.827 1.00 0.00 C ATOM 934 CD2 TYR A 56 8.388 36.351 12.660 1.00 0.00 C ATOM 935 CE1 TYR A 56 8.010 36.892 15.339 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.107 36.470 13.163 1.00 0.00 C ATOM 937 CZ TYR A 56 6.923 36.740 14.503 1.00 0.00 C ATOM 938 OH TYR A 56 5.649 36.859 15.010 1.00 0.00 O ATOM 0 H TYR A 56 11.403 35.542 15.189 1.00 0.00 H new ATOM 0 HA TYR A 56 10.860 34.224 12.793 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.532 37.135 13.373 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.874 36.563 11.853 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.137 36.894 15.484 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.528 36.138 11.610 1.00 0.00 H new ATOM 0 HE1 TYR A 56 7.863 37.103 16.388 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.254 36.352 12.511 1.00 0.00 H new ATOM 0 HH TYR A 56 5.642 36.574 15.948 1.00 0.00 H new ATOM 948 N VAL A 57 13.032 33.795 11.693 1.00 0.00 N ATOM 949 CA VAL A 57 14.253 33.573 10.928 1.00 0.00 C ATOM 950 C VAL A 57 14.450 34.662 9.879 1.00 0.00 C ATOM 951 O VAL A 57 15.535 35.228 9.754 1.00 0.00 O ATOM 952 CB VAL A 57 14.236 32.200 10.229 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.590 31.902 9.605 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.840 31.108 11.211 1.00 0.00 C ATOM 0 H VAL A 57 12.345 33.045 11.618 1.00 0.00 H new ATOM 0 HA VAL A 57 15.080 33.601 11.637 1.00 0.00 H new ATOM 0 HB VAL A 57 13.494 32.226 9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.559 30.928 9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.829 32.670 8.869 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.355 31.894 10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.833 30.145 10.701 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.557 31.079 12.031 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.846 31.317 11.606 1.00 0.00 H new ATOM 964 N ASN A 58 13.392 34.951 9.128 1.00 0.00 N ATOM 965 CA ASN A 58 13.448 35.973 8.090 1.00 0.00 C ATOM 966 C ASN A 58 13.810 37.331 8.683 1.00 0.00 C ATOM 967 O ASN A 58 14.317 38.210 7.984 1.00 0.00 O ATOM 968 CB ASN A 58 12.106 36.064 7.361 1.00 0.00 C ATOM 969 CG ASN A 58 11.580 34.703 6.947 1.00 0.00 C ATOM 970 OD1 ASN A 58 10.438 34.350 7.243 1.00 0.00 O ATOM 971 ND2 ASN A 58 12.413 33.930 6.260 1.00 0.00 N ATOM 0 H ASN A 58 12.486 34.492 9.219 1.00 0.00 H new ATOM 0 HA ASN A 58 14.222 35.689 7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.376 36.551 8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.218 36.692 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.115 33.003 5.956 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.351 34.263 6.037 1.00 0.00 H new ATOM 978 N TYR A 59 13.548 37.496 9.974 1.00 0.00 N ATOM 979 CA TYR A 59 13.844 38.747 10.661 1.00 0.00 C ATOM 980 C TYR A 59 14.996 38.569 11.646 1.00 0.00 C ATOM 981 O TYR A 59 15.563 37.484 11.764 1.00 0.00 O ATOM 982 CB TYR A 59 12.603 39.256 11.397 1.00 0.00 C ATOM 983 CG TYR A 59 11.686 40.091 10.532 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.171 41.183 9.823 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.334 39.788 10.425 1.00 0.00 C ATOM 986 CE1 TYR A 59 11.337 41.949 9.033 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.493 40.548 9.636 1.00 0.00 C ATOM 988 CZ TYR A 59 9.999 41.627 8.942 1.00 0.00 C ATOM 989 OH TYR A 59 9.163 42.387 8.155 1.00 0.00 O ATOM 0 H TYR A 59 13.131 36.778 10.567 1.00 0.00 H new ATOM 0 HA TYR A 59 14.140 39.481 9.912 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.046 38.403 11.785 1.00 0.00 H new ATOM 0 HB3 TYR A 59 12.918 39.849 12.256 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.218 41.437 9.891 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.934 38.944 10.968 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.730 42.795 8.489 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.445 40.299 9.563 1.00 0.00 H new ATOM 0 HH TYR A 59 8.253 42.026 8.200 1.00 0.00 H new ATOM 999 N ASN A 60 15.334 39.643 12.351 1.00 0.00 N ATOM 1000 CA ASN A 60 16.418 39.607 13.326 1.00 0.00 C ATOM 1001 C ASN A 60 15.934 39.041 14.657 1.00 0.00 C ATOM 1002 O ASN A 60 14.741 38.798 14.844 1.00 0.00 O ATOM 1003 CB ASN A 60 16.992 41.010 13.534 1.00 0.00 C ATOM 1004 CG ASN A 60 17.192 41.753 12.227 1.00 0.00 C ATOM 1005 OD1 ASN A 60 16.838 42.926 12.106 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.763 41.071 11.241 1.00 0.00 N ATOM 0 H ASN A 60 14.873 40.549 12.266 1.00 0.00 H new ATOM 0 HA ASN A 60 17.201 38.955 12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.322 41.582 14.175 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.946 40.936 14.056 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.924 41.518 10.338 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.040 40.100 11.386 1.00 0.00 H new ATOM 1013 N LYS A 61 16.867 38.833 15.580 1.00 0.00 N ATOM 1014 CA LYS A 61 16.536 38.298 16.896 1.00 0.00 C ATOM 1015 C LYS A 61 15.749 39.315 17.715 1.00 0.00 C ATOM 1016 O LYS A 61 15.219 38.993 18.779 1.00 0.00 O ATOM 1017 CB LYS A 61 17.812 37.902 17.643 1.00 0.00 C ATOM 1018 CG LYS A 61 18.508 36.686 17.056 1.00 0.00 C ATOM 1019 CD LYS A 61 19.783 36.354 17.813 1.00 0.00 C ATOM 1020 CE LYS A 61 20.127 34.876 17.703 1.00 0.00 C ATOM 1021 NZ LYS A 61 19.369 34.055 18.687 1.00 0.00 N ATOM 0 H LYS A 61 17.859 39.027 15.441 1.00 0.00 H new ATOM 0 HA LYS A 61 15.915 37.413 16.756 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.503 38.745 17.636 1.00 0.00 H new ATOM 0 HB3 LYS A 61 17.565 37.701 18.685 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.833 35.830 17.085 1.00 0.00 H new ATOM 0 HG3 LYS A 61 18.744 36.871 16.008 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.606 36.951 17.420 1.00 0.00 H new ATOM 0 HD3 LYS A 61 19.665 36.624 18.862 1.00 0.00 H new ATOM 0 HE2 LYS A 61 19.909 34.527 16.694 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.196 34.739 17.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.632 33.054 18.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 19.596 34.371 19.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.349 34.165 18.518 1.00 0.00 H new ATOM 1035 N ARG A 62 15.677 40.544 17.214 1.00 0.00 N ATOM 1036 CA ARG A 62 14.954 41.608 17.900 1.00 0.00 C ATOM 1037 C ARG A 62 13.474 41.261 18.033 1.00 0.00 C ATOM 1038 O ARG A 62 12.754 41.865 18.830 1.00 0.00 O ATOM 1039 CB ARG A 62 15.114 42.930 17.147 1.00 0.00 C ATOM 1040 CG ARG A 62 14.506 42.914 15.754 1.00 0.00 C ATOM 1041 CD ARG A 62 15.092 44.011 14.878 1.00 0.00 C ATOM 1042 NE ARG A 62 14.411 45.289 15.073 1.00 0.00 N ATOM 1043 CZ ARG A 62 14.857 46.440 14.584 1.00 0.00 C ATOM 1044 NH1 ARG A 62 15.976 46.474 13.874 1.00 0.00 N ATOM 1045 NH2 ARG A 62 14.182 47.561 14.803 1.00 0.00 N ATOM 0 H ARG A 62 16.111 40.827 16.335 1.00 0.00 H new ATOM 0 HA ARG A 62 15.376 41.714 18.900 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.650 43.728 17.728 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.175 43.168 17.069 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.682 41.943 15.290 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.426 43.042 15.826 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.152 44.127 15.103 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.019 43.717 13.831 1.00 0.00 H new ATOM 0 HE ARG A 62 13.546 45.297 15.614 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.497 45.614 13.702 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.316 47.360 13.500 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.320 47.539 15.347 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.525 48.445 14.427 1.00 0.00 H new ATOM 1059 N LEU A 63 13.027 40.287 17.249 1.00 0.00 N ATOM 1060 CA LEU A 63 11.632 39.861 17.278 1.00 0.00 C ATOM 1061 C LEU A 63 11.467 38.598 18.118 1.00 0.00 C ATOM 1062 O LEU A 63 10.370 38.291 18.586 1.00 0.00 O ATOM 1063 CB LEU A 63 11.124 39.611 15.857 1.00 0.00 C ATOM 1064 CG LEU A 63 10.582 40.833 15.114 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.804 40.688 13.616 1.00 0.00 C ATOM 1066 CD2 LEU A 63 9.105 41.030 15.419 1.00 0.00 C ATOM 0 H LEU A 63 13.610 39.777 16.585 1.00 0.00 H new ATOM 0 HA LEU A 63 11.044 40.658 17.732 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.939 39.186 15.271 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.337 38.859 15.901 1.00 0.00 H new ATOM 0 HG LEU A 63 11.124 41.714 15.458 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.412 41.567 13.103 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.871 40.596 13.414 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.288 39.798 13.256 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.736 41.904 14.882 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.548 40.148 15.103 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.972 41.179 16.490 1.00 0.00 H new ATOM 1078 N ASP A 64 12.563 37.872 18.308 1.00 0.00 N ATOM 1079 CA ASP A 64 12.540 36.645 19.095 1.00 0.00 C ATOM 1080 C ASP A 64 11.889 36.882 20.454 1.00 0.00 C ATOM 1081 O ASP A 64 12.292 37.776 21.197 1.00 0.00 O ATOM 1082 CB ASP A 64 13.960 36.108 19.283 1.00 0.00 C ATOM 1083 CG ASP A 64 14.013 34.933 20.240 1.00 0.00 C ATOM 1084 OD1 ASP A 64 12.959 34.301 20.462 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.109 34.646 20.765 1.00 0.00 O ATOM 0 H ASP A 64 13.479 38.112 17.928 1.00 0.00 H new ATOM 0 HA ASP A 64 11.949 35.907 18.553 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.361 35.804 18.316 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.601 36.907 19.657 1.00 0.00 H new ATOM 1090 N GLU A 65 10.880 36.077 20.769 1.00 0.00 N ATOM 1091 CA GLU A 65 10.172 36.201 22.038 1.00 0.00 C ATOM 1092 C GLU A 65 9.358 34.944 22.333 1.00 0.00 C ATOM 1093 O GLU A 65 9.507 33.924 21.661 1.00 0.00 O ATOM 1094 CB GLU A 65 9.252 37.424 22.016 1.00 0.00 C ATOM 1095 CG GLU A 65 8.096 37.299 21.039 1.00 0.00 C ATOM 1096 CD GLU A 65 7.527 38.644 20.632 1.00 0.00 C ATOM 1097 OE1 GLU A 65 8.204 39.370 19.875 1.00 0.00 O ATOM 1098 OE2 GLU A 65 6.404 38.971 21.071 1.00 0.00 O ATOM 0 H GLU A 65 10.534 35.332 20.164 1.00 0.00 H new ATOM 0 HA GLU A 65 10.913 36.326 22.827 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.854 37.587 23.018 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.840 38.305 21.759 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.433 36.767 20.149 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.307 36.697 21.490 1.00 0.00 H new ATOM 1105 N TRP A 66 8.499 35.027 23.342 1.00 0.00 N ATOM 1106 CA TRP A 66 7.661 33.896 23.727 1.00 0.00 C ATOM 1107 C TRP A 66 6.257 34.038 23.152 1.00 0.00 C ATOM 1108 O TRP A 66 5.732 35.147 23.038 1.00 0.00 O ATOM 1109 CB TRP A 66 7.593 33.781 25.251 1.00 0.00 C ATOM 1110 CG TRP A 66 8.940 33.681 25.900 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.804 34.707 26.157 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.577 32.489 26.372 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.940 34.224 26.761 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.825 32.867 26.905 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.214 31.140 26.399 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.710 31.943 27.455 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.093 30.224 26.945 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.329 30.629 27.468 1.00 0.00 C ATOM 0 H TRP A 66 8.364 35.864 23.908 1.00 0.00 H new ATOM 0 HA TRP A 66 8.109 32.989 23.321 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.069 34.649 25.651 1.00 0.00 H new ATOM 0 HB3 TRP A 66 7.004 32.903 25.516 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.621 35.745 25.920 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.739 34.785 27.055 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.263 30.819 26.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.663 32.253 27.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.823 29.179 26.969 1.00 0.00 H new ATOM 0 HH2 TRP A 66 11.994 29.889 27.889 1.00 0.00 H new ATOM 1129 N ILE A 67 5.653 32.911 22.791 1.00 0.00 N ATOM 1130 CA ILE A 67 4.308 32.912 22.229 1.00 0.00 C ATOM 1131 C ILE A 67 3.487 31.745 22.767 1.00 0.00 C ATOM 1132 O ILE A 67 4.034 30.780 23.302 1.00 0.00 O ATOM 1133 CB ILE A 67 4.340 32.836 20.691 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.057 31.563 20.236 1.00 0.00 C ATOM 1135 CG2 ILE A 67 5.021 34.069 20.115 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.722 31.155 18.819 1.00 0.00 C ATOM 0 H ILE A 67 6.074 31.986 22.878 1.00 0.00 H new ATOM 0 HA ILE A 67 3.842 33.851 22.529 1.00 0.00 H new ATOM 0 HB ILE A 67 3.315 32.804 20.322 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.134 31.713 20.317 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.797 30.748 20.911 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.036 34.001 19.027 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.472 34.962 20.415 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.043 34.128 20.489 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.266 30.245 18.564 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.651 30.973 18.737 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.008 31.953 18.133 1.00 0.00 H new ATOM 1148 N THR A 68 2.169 31.838 22.620 1.00 0.00 N ATOM 1149 CA THR A 68 1.271 30.790 23.090 1.00 0.00 C ATOM 1150 C THR A 68 0.735 29.963 21.927 1.00 0.00 C ATOM 1151 O THR A 68 0.981 30.278 20.762 1.00 0.00 O ATOM 1152 CB THR A 68 0.085 31.378 23.877 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.277 32.654 23.338 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.434 31.525 25.351 1.00 0.00 C ATOM 0 H THR A 68 1.699 32.629 22.179 1.00 0.00 H new ATOM 0 HA THR A 68 1.853 30.148 23.751 1.00 0.00 H new ATOM 0 HB THR A 68 -0.758 30.693 23.785 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.033 33.020 23.843 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.419 31.942 25.887 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.680 30.548 25.766 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.290 32.191 25.457 1.00 0.00 H new ATOM 1162 N THR A 69 -0.001 28.904 22.250 1.00 0.00 N ATOM 1163 CA THR A 69 -0.572 28.031 21.232 1.00 0.00 C ATOM 1164 C THR A 69 -1.422 28.822 20.244 1.00 0.00 C ATOM 1165 O THR A 69 -1.367 28.588 19.036 1.00 0.00 O ATOM 1166 CB THR A 69 -1.436 26.923 21.862 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.626 27.488 22.424 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.662 26.182 22.943 1.00 0.00 C ATOM 0 H THR A 69 -0.216 28.630 23.209 1.00 0.00 H new ATOM 0 HA THR A 69 0.264 27.573 20.703 1.00 0.00 H new ATOM 0 HB THR A 69 -1.706 26.215 21.079 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.170 26.776 22.821 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.293 25.404 23.374 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.228 25.728 22.507 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.366 26.883 23.724 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.208 29.759 20.764 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.069 30.586 19.927 1.00 0.00 C ATOM 1178 C ASP A 70 -2.240 31.479 19.010 1.00 0.00 C ATOM 1179 O ASP A 70 -2.759 32.059 18.056 1.00 0.00 O ATOM 1180 CB ASP A 70 -3.991 31.442 20.796 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.081 32.120 19.990 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -6.067 31.440 19.636 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -4.949 33.331 19.712 1.00 0.00 O ATOM 0 H ASP A 70 -2.266 29.964 21.761 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.676 29.925 19.308 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.447 30.816 21.563 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.400 32.199 21.311 1.00 0.00 H new ATOM 1188 N ARG A 71 -0.949 31.587 19.306 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.048 32.412 18.510 1.00 0.00 C ATOM 1190 C ARG A 71 0.747 31.557 17.527 1.00 0.00 C ATOM 1191 O ARG A 71 1.691 32.033 16.897 1.00 0.00 O ATOM 1192 CB ARG A 71 0.909 33.184 19.420 1.00 0.00 C ATOM 1193 CG ARG A 71 0.227 34.263 20.245 1.00 0.00 C ATOM 1194 CD ARG A 71 1.187 35.392 20.588 1.00 0.00 C ATOM 1195 NE ARG A 71 0.560 36.407 21.430 1.00 0.00 N ATOM 1196 CZ ARG A 71 1.144 37.554 21.758 1.00 0.00 C ATOM 1197 NH1 ARG A 71 2.363 37.831 21.315 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.509 38.427 22.529 1.00 0.00 N ATOM 0 H ARG A 71 -0.503 31.113 20.092 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.651 33.121 17.943 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.403 32.482 20.092 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.687 33.642 18.810 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.623 34.662 19.692 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.166 33.827 21.163 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.058 34.984 21.100 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.546 35.855 19.669 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.378 36.225 21.786 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.854 37.163 20.721 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.810 38.712 21.568 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.429 38.218 22.871 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.959 39.307 22.780 1.00 0.00 H new ATOM 1212 N ILE A 72 0.358 30.292 17.402 1.00 0.00 N ATOM 1213 CA ILE A 72 1.033 29.372 16.497 1.00 0.00 C ATOM 1214 C ILE A 72 0.121 28.967 15.343 1.00 0.00 C ATOM 1215 O ILE A 72 -1.089 28.832 15.514 1.00 0.00 O ATOM 1216 CB ILE A 72 1.506 28.104 17.232 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.427 28.476 18.396 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.216 27.166 16.267 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.652 27.345 19.375 1.00 0.00 C ATOM 0 H ILE A 72 -0.421 29.882 17.917 1.00 0.00 H new ATOM 0 HA ILE A 72 1.902 29.899 16.103 1.00 0.00 H new ATOM 0 HB ILE A 72 0.634 27.588 17.634 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.389 28.798 17.998 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.001 29.327 18.928 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.544 26.275 16.801 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.532 26.879 15.469 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.081 27.672 15.839 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.314 27.681 20.173 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.697 27.037 19.801 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.107 26.501 18.857 1.00 0.00 H new ATOM 1231 N ASN A 73 0.712 28.772 14.169 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.047 28.381 12.987 1.00 0.00 C ATOM 1233 C ASN A 73 0.063 26.879 12.742 1.00 0.00 C ATOM 1234 O ASN A 73 1.077 26.393 12.239 1.00 0.00 O ATOM 1235 CB ASN A 73 0.451 29.146 11.759 1.00 0.00 C ATOM 1236 CG ASN A 73 0.230 30.642 11.882 1.00 0.00 C ATOM 1237 OD1 ASN A 73 0.159 31.182 12.986 1.00 0.00 O ATOM 1238 ND2 ASN A 73 0.119 31.318 10.744 1.00 0.00 N ATOM 0 H ASN A 73 1.714 28.878 14.011 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.094 28.628 13.161 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.514 28.949 11.617 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.063 28.777 10.871 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.032 32.327 10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.184 30.828 9.852 1.00 0.00 H new ATOM 1245 N LEU A 74 -0.987 26.148 13.101 1.00 0.00 N ATOM 1246 CA LEU A 74 -1.009 24.701 12.921 1.00 0.00 C ATOM 1247 C LEU A 74 -1.633 24.329 11.579 1.00 0.00 C ATOM 1248 O LEU A 74 -2.007 23.178 11.355 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.787 24.037 14.059 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.988 23.724 15.324 1.00 0.00 C ATOM 1251 CD1 LEU A 74 0.149 22.763 15.013 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.452 25.004 15.947 1.00 0.00 C ATOM 0 H LEU A 74 -1.834 26.534 13.518 1.00 0.00 H new ATOM 0 HA LEU A 74 0.020 24.342 12.935 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.620 24.686 14.330 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.216 23.107 13.685 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.654 23.246 16.042 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.707 22.552 15.925 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.259 21.834 14.614 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.815 23.213 14.277 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.114 24.762 16.846 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.199 25.511 15.234 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.284 25.658 16.207 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.739 25.310 10.690 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.314 25.086 9.369 1.00 0.00 C ATOM 1266 C ASP A 75 -1.218 24.925 8.320 1.00 0.00 C ATOM 1267 O ASP A 75 -1.449 24.375 7.243 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.236 26.244 8.987 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.679 25.989 9.377 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -5.107 24.817 9.330 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.380 26.961 9.729 1.00 0.00 O ATOM 0 H ASP A 75 -1.434 26.268 10.860 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.896 24.165 9.405 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.888 27.156 9.471 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.178 26.411 7.912 1.00 0.00 H new ATOM 1276 N LYS A 76 -0.023 25.410 8.641 1.00 0.00 N ATOM 1277 CA LYS A 76 1.110 25.321 7.728 1.00 0.00 C ATOM 1278 C LYS A 76 2.026 24.162 8.109 1.00 0.00 C ATOM 1279 O LYS A 76 2.165 23.831 9.286 1.00 0.00 O ATOM 1280 CB LYS A 76 1.900 26.632 7.732 1.00 0.00 C ATOM 1281 CG LYS A 76 1.599 27.527 6.543 1.00 0.00 C ATOM 1282 CD LYS A 76 1.446 28.979 6.962 1.00 0.00 C ATOM 1283 CE LYS A 76 1.628 29.922 5.783 1.00 0.00 C ATOM 1284 NZ LYS A 76 3.014 29.871 5.240 1.00 0.00 N ATOM 0 H LYS A 76 0.186 25.869 9.528 1.00 0.00 H new ATOM 0 HA LYS A 76 0.723 25.141 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.680 27.176 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.966 26.404 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.401 27.442 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.684 27.190 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.460 29.130 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.178 29.215 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.920 29.661 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.397 30.941 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.209 30.740 4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.692 29.790 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.111 29.047 4.613 1.00 0.00 H new ATOM 1298 N GLU A 77 2.649 23.551 7.106 1.00 0.00 N ATOM 1299 CA GLU A 77 3.552 22.430 7.337 1.00 0.00 C ATOM 1300 C GLU A 77 4.688 22.831 8.275 1.00 0.00 C ATOM 1301 O GLU A 77 5.189 23.954 8.217 1.00 0.00 O ATOM 1302 CB GLU A 77 4.125 21.925 6.012 1.00 0.00 C ATOM 1303 CG GLU A 77 3.065 21.630 4.964 1.00 0.00 C ATOM 1304 CD GLU A 77 3.464 20.502 4.032 1.00 0.00 C ATOM 1305 OE1 GLU A 77 3.583 19.353 4.507 1.00 0.00 O ATOM 1306 OE2 GLU A 77 3.657 20.768 2.827 1.00 0.00 O ATOM 0 H GLU A 77 2.545 23.814 6.126 1.00 0.00 H new ATOM 0 HA GLU A 77 2.981 21.628 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.817 22.669 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.703 21.020 6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.130 21.372 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.877 22.530 4.379 1.00 0.00 H new ATOM 1313 N VAL A 78 5.088 21.904 9.140 1.00 0.00 N ATOM 1314 CA VAL A 78 6.165 22.159 10.090 1.00 0.00 C ATOM 1315 C VAL A 78 7.480 21.562 9.603 1.00 0.00 C ATOM 1316 O VAL A 78 7.492 20.571 8.872 1.00 0.00 O ATOM 1317 CB VAL A 78 5.835 21.583 11.479 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.852 22.054 12.508 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.424 21.971 11.896 1.00 0.00 C ATOM 0 H VAL A 78 4.683 20.970 9.203 1.00 0.00 H new ATOM 0 HA VAL A 78 6.268 23.241 10.169 1.00 0.00 H new ATOM 0 HB VAL A 78 5.887 20.496 11.423 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.602 21.637 13.484 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.847 21.721 12.215 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.836 23.142 12.564 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.208 21.555 12.880 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.342 23.057 11.935 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.710 21.579 11.172 1.00 0.00 H new ATOM 1329 N LEU A 79 8.587 22.172 10.013 1.00 0.00 N ATOM 1330 CA LEU A 79 9.911 21.700 9.620 1.00 0.00 C ATOM 1331 C LEU A 79 10.621 21.031 10.792 1.00 0.00 C ATOM 1332 O LEU A 79 10.614 21.546 11.911 1.00 0.00 O ATOM 1333 CB LEU A 79 10.753 22.864 9.095 1.00 0.00 C ATOM 1334 CG LEU A 79 11.115 22.815 7.611 1.00 0.00 C ATOM 1335 CD1 LEU A 79 9.896 23.114 6.753 1.00 0.00 C ATOM 1336 CD2 LEU A 79 12.239 23.793 7.303 1.00 0.00 C ATOM 0 H LEU A 79 8.594 22.994 10.617 1.00 0.00 H new ATOM 0 HA LEU A 79 9.787 20.963 8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.213 23.792 9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.676 22.907 9.672 1.00 0.00 H new ATOM 0 HG LEU A 79 11.461 21.809 7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.174 23.074 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.121 22.374 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.518 24.108 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.483 23.744 6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.921 24.804 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.119 23.532 7.890 1.00 0.00 H new ATOM 1348 N TYR A 80 11.234 19.883 10.528 1.00 0.00 N ATOM 1349 CA TYR A 80 11.950 19.143 11.561 1.00 0.00 C ATOM 1350 C TYR A 80 13.419 18.970 11.189 1.00 0.00 C ATOM 1351 O TYR A 80 13.807 19.073 10.025 1.00 0.00 O ATOM 1352 CB TYR A 80 11.302 17.775 11.779 1.00 0.00 C ATOM 1353 CG TYR A 80 10.118 17.808 12.718 1.00 0.00 C ATOM 1354 CD1 TYR A 80 8.837 18.064 12.244 1.00 0.00 C ATOM 1355 CD2 TYR A 80 10.279 17.584 14.080 1.00 0.00 C ATOM 1356 CE1 TYR A 80 7.752 18.096 13.099 1.00 0.00 C ATOM 1357 CE2 TYR A 80 9.200 17.612 14.941 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.939 17.869 14.446 1.00 0.00 C ATOM 1359 OH TYR A 80 6.861 17.899 15.301 1.00 0.00 O ATOM 0 H TYR A 80 11.250 19.444 9.607 1.00 0.00 H new ATOM 0 HA TYR A 80 11.895 19.715 12.487 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.980 17.377 10.816 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.049 17.087 12.174 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.687 18.241 11.189 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.265 17.385 14.472 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.763 18.298 12.714 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.343 17.434 15.997 1.00 0.00 H new ATOM 0 HH TYR A 80 7.085 18.433 16.092 1.00 0.00 H new ATOM 1369 N PRO A 81 14.257 18.699 12.201 1.00 0.00 N ATOM 1370 CA PRO A 81 15.696 18.504 12.006 1.00 0.00 C ATOM 1371 C PRO A 81 16.011 17.207 11.269 1.00 0.00 C ATOM 1372 O PRO A 81 15.355 16.186 11.478 1.00 0.00 O ATOM 1373 CB PRO A 81 16.244 18.454 13.434 1.00 0.00 C ATOM 1374 CG PRO A 81 15.095 17.998 14.265 1.00 0.00 C ATOM 1375 CD PRO A 81 13.863 18.562 13.613 1.00 0.00 C ATOM 0 HA PRO A 81 16.134 19.292 11.394 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.086 17.766 13.511 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.601 19.432 13.755 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.051 16.910 14.307 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.191 18.353 15.291 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.007 17.897 13.729 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.582 19.522 14.047 1.00 0.00 H new