USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 97 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Set 1.2: A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 69 ASN : amide:sc= -0.292 X(o=-0.29,f=-0.18) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.24) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -127:sc= -0.177 (180deg=-6.27!) USER MOD Single : A 26 MET CE :methyl -152:sc= -2.24 (180deg=-3.97!) USER MOD Single : A 27 SER OG : rot 33:sc= 1.02 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.564 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -112:sc= 0.612 (180deg=0.0138) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.853 F(o=-1.9,f=-0.85) USER MOD Single : A 48 SER OG : rot 180:sc= -0.138 USER MOD Single : A 59 THR OG1 : rot -125:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.028 USER MOD Single : A 76 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.17) USER MOD Single : A 78 GLN : amide:sc= -0.0789 X(o=-0.079,f=-0.37) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 50:sc= 0.139 USER MOD Single : A 84 ASN : amide:sc= 0.0238 X(o=0.024,f=0) USER MOD Single : A 87 SER OG : rot -47:sc= 1.09 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 167:sc= -0.0266 (180deg=-0.0489) USER MOD Single : A 104 ASN : amide:sc= -0.0684 X(o=-0.068,f=-0.068) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 12.118 -20.503 15.499 1.00 0.00 N ATOM 256 CA LYS A 19 11.318 -19.532 16.235 1.00 0.00 C ATOM 257 C LYS A 19 10.534 -18.637 15.281 1.00 0.00 C ATOM 258 O LYS A 19 10.816 -18.593 14.083 1.00 0.00 O ATOM 259 CB LYS A 19 12.216 -18.676 17.131 1.00 0.00 C ATOM 260 CG LYS A 19 12.836 -19.446 18.285 1.00 0.00 C ATOM 261 CD LYS A 19 11.791 -19.849 19.311 1.00 0.00 C ATOM 262 CE LYS A 19 12.432 -20.247 20.632 1.00 0.00 C ATOM 263 NZ LYS A 19 11.414 -20.479 21.695 1.00 0.00 N ATOM 0 HA LYS A 19 10.609 -20.079 16.856 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.012 -18.242 16.525 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.632 -17.847 17.531 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.335 -20.337 17.903 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.600 -18.833 18.764 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.102 -19.021 19.475 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.203 -20.682 18.925 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.023 -21.152 20.491 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.120 -19.464 20.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.886 -20.547 22.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.739 -19.688 21.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.905 -21.365 21.501 1.00 0.00 H new ATOM 277 N TYR A 20 9.550 -17.925 15.818 1.00 0.00 N ATOM 278 CA TYR A 20 8.725 -17.032 15.014 1.00 0.00 C ATOM 279 C TYR A 20 8.012 -16.009 15.893 1.00 0.00 C ATOM 280 O TYR A 20 7.689 -16.286 17.049 1.00 0.00 O ATOM 281 CB TYR A 20 7.699 -17.835 14.213 1.00 0.00 C ATOM 282 CG TYR A 20 6.325 -17.863 14.843 1.00 0.00 C ATOM 283 CD1 TYR A 20 6.040 -18.718 15.900 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.311 -17.032 14.381 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.786 -18.746 16.478 1.00 0.00 C ATOM 286 CE2 TYR A 20 4.054 -17.052 14.955 1.00 0.00 C ATOM 287 CZ TYR A 20 3.796 -17.912 16.002 1.00 0.00 C ATOM 288 OH TYR A 20 2.546 -17.936 16.577 1.00 0.00 O ATOM 0 H TYR A 20 9.304 -17.949 16.808 1.00 0.00 H new ATOM 0 HA TYR A 20 9.379 -16.498 14.324 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.621 -17.412 13.211 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.059 -18.858 14.100 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.812 -19.372 16.276 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.509 -16.359 13.560 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.582 -19.418 17.299 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.278 -16.398 14.586 1.00 0.00 H new ATOM 0 HH TYR A 20 1.966 -17.288 16.126 1.00 0.00 H new ATOM 298 N ILE A 21 7.769 -14.828 15.337 1.00 0.00 N ATOM 299 CA ILE A 21 7.093 -13.764 16.068 1.00 0.00 C ATOM 300 C ILE A 21 6.236 -12.914 15.136 1.00 0.00 C ATOM 301 O ILE A 21 5.818 -11.812 15.491 1.00 0.00 O ATOM 302 CB ILE A 21 8.099 -12.853 16.795 1.00 0.00 C ATOM 303 CG1 ILE A 21 9.089 -12.250 15.796 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.836 -13.632 17.874 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.914 -11.120 16.370 1.00 0.00 C ATOM 0 H ILE A 21 8.030 -14.583 14.382 1.00 0.00 H new ATOM 0 HA ILE A 21 6.453 -14.247 16.806 1.00 0.00 H new ATOM 0 HB ILE A 21 7.551 -12.040 17.271 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.758 -13.034 15.442 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.540 -11.884 14.929 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.543 -12.974 18.379 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.119 -14.018 18.598 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.375 -14.463 17.419 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.593 -10.741 15.606 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.253 -10.318 16.698 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.491 -11.486 17.220 1.00 0.00 H new ATOM 317 N GLY A 22 5.977 -13.434 13.940 1.00 0.00 N ATOM 318 CA GLY A 22 5.170 -12.711 12.975 1.00 0.00 C ATOM 319 C GLY A 22 5.624 -11.275 12.800 1.00 0.00 C ATOM 320 O GLY A 22 5.021 -10.355 13.353 1.00 0.00 O ATOM 0 H GLY A 22 6.312 -14.344 13.622 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.214 -13.222 12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.128 -12.723 13.295 1.00 0.00 H new ATOM 324 N ILE A 23 6.690 -11.084 12.030 1.00 0.00 N ATOM 325 CA ILE A 23 7.224 -9.750 11.784 1.00 0.00 C ATOM 326 C ILE A 23 7.891 -9.669 10.416 1.00 0.00 C ATOM 327 O ILE A 23 8.599 -10.588 10.003 1.00 0.00 O ATOM 328 CB ILE A 23 8.244 -9.344 12.865 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.464 -10.266 12.818 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.598 -9.380 14.242 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.694 -9.612 12.230 1.00 0.00 C ATOM 0 H ILE A 23 7.201 -11.835 11.566 1.00 0.00 H new ATOM 0 HA ILE A 23 6.380 -9.061 11.815 1.00 0.00 H new ATOM 0 HB ILE A 23 8.575 -8.325 12.667 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.691 -10.606 13.828 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.218 -11.151 12.232 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.331 -9.091 14.995 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.758 -8.686 14.268 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.242 -10.389 14.451 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.519 -10.324 12.228 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.485 -9.297 11.208 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.966 -8.743 12.829 1.00 0.00 H new ATOM 343 N ARG A 24 7.663 -8.562 9.716 1.00 0.00 N ATOM 344 CA ARG A 24 8.242 -8.360 8.394 1.00 0.00 C ATOM 345 C ARG A 24 9.237 -7.203 8.407 1.00 0.00 C ATOM 346 O ARG A 24 8.904 -6.090 8.812 1.00 0.00 O ATOM 347 CB ARG A 24 7.141 -8.088 7.367 1.00 0.00 C ATOM 348 CG ARG A 24 5.980 -9.066 7.446 1.00 0.00 C ATOM 349 CD ARG A 24 5.126 -9.018 6.189 1.00 0.00 C ATOM 350 NE ARG A 24 4.384 -10.259 5.984 1.00 0.00 N ATOM 351 CZ ARG A 24 4.938 -11.383 5.544 1.00 0.00 C ATOM 352 NH1 ARG A 24 6.234 -11.422 5.264 1.00 0.00 N ATOM 353 NH2 ARG A 24 4.197 -12.471 5.383 1.00 0.00 N ATOM 0 H ARG A 24 7.081 -7.791 10.043 1.00 0.00 H new ATOM 0 HA ARG A 24 8.773 -9.270 8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.763 -7.076 7.511 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.571 -8.128 6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.363 -10.076 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.364 -8.833 8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.427 -8.185 6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.763 -8.830 5.325 1.00 0.00 H new ATOM 0 HE ARG A 24 3.385 -10.263 6.190 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.808 -10.587 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.657 -12.287 4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.200 -12.445 5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.624 -13.333 5.045 1.00 0.00 H new ATOM 367 N MET A 25 10.460 -7.476 7.963 1.00 0.00 N ATOM 368 CA MET A 25 11.503 -6.458 7.923 1.00 0.00 C ATOM 369 C MET A 25 12.291 -6.537 6.619 1.00 0.00 C ATOM 370 O MET A 25 12.319 -7.578 5.963 1.00 0.00 O ATOM 371 CB MET A 25 12.449 -6.619 9.115 1.00 0.00 C ATOM 372 CG MET A 25 11.730 -6.859 10.433 1.00 0.00 C ATOM 373 SD MET A 25 12.855 -6.889 11.841 1.00 0.00 S ATOM 374 CE MET A 25 13.724 -8.428 11.549 1.00 0.00 C ATOM 0 H MET A 25 10.753 -8.393 7.626 1.00 0.00 H new ATOM 0 HA MET A 25 11.024 -5.481 7.978 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.125 -7.452 8.922 1.00 0.00 H new ATOM 0 HB3 MET A 25 13.064 -5.724 9.204 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.986 -6.077 10.584 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.192 -7.806 10.382 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.672 -9.050 12.442 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.262 -8.954 10.713 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.767 -8.218 11.313 1.00 0.00 H new ATOM 384 N MET A 26 12.928 -5.430 6.250 1.00 0.00 N ATOM 385 CA MET A 26 13.716 -5.376 5.024 1.00 0.00 C ATOM 386 C MET A 26 15.123 -4.858 5.306 1.00 0.00 C ATOM 387 O MET A 26 15.310 -3.953 6.119 1.00 0.00 O ATOM 388 CB MET A 26 13.029 -4.484 3.989 1.00 0.00 C ATOM 389 CG MET A 26 12.926 -3.028 4.414 1.00 0.00 C ATOM 390 SD MET A 26 13.726 -1.907 3.250 1.00 0.00 S ATOM 391 CE MET A 26 13.160 -0.322 3.863 1.00 0.00 C ATOM 0 H MET A 26 12.914 -4.560 6.782 1.00 0.00 H new ATOM 0 HA MET A 26 13.793 -6.388 4.626 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.579 -4.542 3.050 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.028 -4.869 3.797 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.875 -2.755 4.511 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.379 -2.908 5.398 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.125 0.394 3.042 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.164 -0.432 4.291 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.847 0.038 4.629 1.00 0.00 H new ATOM 401 N SER A 27 16.109 -5.438 4.629 1.00 0.00 N ATOM 402 CA SER A 27 17.499 -5.037 4.809 1.00 0.00 C ATOM 403 C SER A 27 17.654 -3.527 4.651 1.00 0.00 C ATOM 404 O SER A 27 17.547 -2.993 3.546 1.00 0.00 O ATOM 405 CB SER A 27 18.396 -5.761 3.804 1.00 0.00 C ATOM 406 OG SER A 27 18.114 -5.347 2.478 1.00 0.00 O ATOM 0 H SER A 27 15.971 -6.187 3.951 1.00 0.00 H new ATOM 0 HA SER A 27 17.802 -5.312 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.442 -5.561 4.036 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.250 -6.838 3.891 1.00 0.00 H new ATOM 0 HG SER A 27 17.850 -4.403 2.479 1.00 0.00 H new ATOM 412 N LEU A 28 17.907 -2.845 5.762 1.00 0.00 N ATOM 413 CA LEU A 28 18.077 -1.396 5.748 1.00 0.00 C ATOM 414 C LEU A 28 19.390 -1.008 5.075 1.00 0.00 C ATOM 415 O LEU A 28 20.449 -1.551 5.395 1.00 0.00 O ATOM 416 CB LEU A 28 18.040 -0.845 7.175 1.00 0.00 C ATOM 417 CG LEU A 28 17.007 0.249 7.445 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.978 0.603 8.924 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.304 1.483 6.605 1.00 0.00 C ATOM 0 H LEU A 28 17.999 -3.272 6.684 1.00 0.00 H new ATOM 0 HA LEU A 28 17.256 -0.964 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.850 -1.673 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 28 19.028 -0.452 7.417 1.00 0.00 H new ATOM 0 HG LEU A 28 16.024 -0.129 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.237 1.383 9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.716 -0.281 9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.960 0.961 9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.558 2.251 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.295 1.863 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.272 1.220 5.548 1.00 0.00 H new ATOM 431 N THR A 29 19.314 -0.064 4.142 1.00 0.00 N ATOM 432 CA THR A 29 20.496 0.397 3.424 1.00 0.00 C ATOM 433 C THR A 29 20.803 1.854 3.750 1.00 0.00 C ATOM 434 O THR A 29 19.911 2.620 4.114 1.00 0.00 O ATOM 435 CB THR A 29 20.321 0.249 1.901 1.00 0.00 C ATOM 436 OG1 THR A 29 19.338 1.176 1.428 1.00 0.00 O ATOM 437 CG2 THR A 29 19.905 -1.168 1.539 1.00 0.00 C ATOM 0 H THR A 29 18.447 0.396 3.866 1.00 0.00 H new ATOM 0 HA THR A 29 21.328 -0.228 3.749 1.00 0.00 H new ATOM 0 HB THR A 29 21.278 0.462 1.426 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.234 1.076 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.788 -1.248 0.458 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.670 -1.869 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.959 -1.405 2.025 1.00 0.00 H new ATOM 445 N SER A 30 22.070 2.232 3.616 1.00 0.00 N ATOM 446 CA SER A 30 22.495 3.597 3.899 1.00 0.00 C ATOM 447 C SER A 30 21.700 4.598 3.066 1.00 0.00 C ATOM 448 O SER A 30 21.458 5.726 3.494 1.00 0.00 O ATOM 449 CB SER A 30 23.991 3.757 3.619 1.00 0.00 C ATOM 450 OG SER A 30 24.749 2.798 4.335 1.00 0.00 O ATOM 0 H SER A 30 22.820 1.611 3.313 1.00 0.00 H new ATOM 0 HA SER A 30 22.307 3.798 4.954 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.178 3.649 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.311 4.761 3.899 1.00 0.00 H new ATOM 0 HG SER A 30 25.701 2.920 4.138 1.00 0.00 H new ATOM 456 N SER A 31 21.297 4.175 1.872 1.00 0.00 N ATOM 457 CA SER A 31 20.532 5.034 0.975 1.00 0.00 C ATOM 458 C SER A 31 19.054 5.032 1.350 1.00 0.00 C ATOM 459 O SER A 31 18.333 5.995 1.088 1.00 0.00 O ATOM 460 CB SER A 31 20.704 4.575 -0.474 1.00 0.00 C ATOM 461 OG SER A 31 21.241 5.611 -1.278 1.00 0.00 O ATOM 0 H SER A 31 21.487 3.243 1.503 1.00 0.00 H new ATOM 0 HA SER A 31 20.912 6.051 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.362 3.706 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 31 19.741 4.261 -0.876 1.00 0.00 H new ATOM 0 HG SER A 31 21.343 5.291 -2.199 1.00 0.00 H new ATOM 467 N LYS A 32 18.608 3.942 1.965 1.00 0.00 N ATOM 468 CA LYS A 32 17.216 3.811 2.379 1.00 0.00 C ATOM 469 C LYS A 32 16.962 4.563 3.682 1.00 0.00 C ATOM 470 O LYS A 32 15.924 5.202 3.849 1.00 0.00 O ATOM 471 CB LYS A 32 16.849 2.335 2.549 1.00 0.00 C ATOM 472 CG LYS A 32 15.368 2.101 2.792 1.00 0.00 C ATOM 473 CD LYS A 32 14.542 2.431 1.560 1.00 0.00 C ATOM 474 CE LYS A 32 14.172 1.176 0.784 1.00 0.00 C ATOM 475 NZ LYS A 32 14.178 1.411 -0.686 1.00 0.00 N ATOM 0 H LYS A 32 19.191 3.135 2.188 1.00 0.00 H new ATOM 0 HA LYS A 32 16.590 4.247 1.601 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.153 1.788 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.415 1.922 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.204 1.061 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.035 2.714 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.635 2.956 1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.103 3.107 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.874 0.379 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.184 0.836 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.921 0.532 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.490 2.154 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.128 1.711 -0.986 1.00 0.00 H new ATOM 489 N ALA A 33 17.919 4.483 4.601 1.00 0.00 N ATOM 490 CA ALA A 33 17.800 5.158 5.887 1.00 0.00 C ATOM 491 C ALA A 33 17.870 6.672 5.721 1.00 0.00 C ATOM 492 O ALA A 33 17.059 7.408 6.285 1.00 0.00 O ATOM 493 CB ALA A 33 18.888 4.679 6.837 1.00 0.00 C ATOM 0 H ALA A 33 18.785 3.958 4.479 1.00 0.00 H new ATOM 0 HA ALA A 33 16.827 4.910 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.787 5.191 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.791 3.604 6.989 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.867 4.898 6.410 1.00 0.00 H new ATOM 499 N LYS A 34 18.844 7.133 4.943 1.00 0.00 N ATOM 500 CA LYS A 34 19.020 8.560 4.701 1.00 0.00 C ATOM 501 C LYS A 34 17.768 9.164 4.073 1.00 0.00 C ATOM 502 O LYS A 34 17.460 10.336 4.286 1.00 0.00 O ATOM 503 CB LYS A 34 20.227 8.799 3.791 1.00 0.00 C ATOM 504 CG LYS A 34 21.058 10.007 4.187 1.00 0.00 C ATOM 505 CD LYS A 34 21.941 10.475 3.043 1.00 0.00 C ATOM 506 CE LYS A 34 23.142 9.560 2.855 1.00 0.00 C ATOM 507 NZ LYS A 34 22.943 8.610 1.726 1.00 0.00 N ATOM 0 H LYS A 34 19.524 6.538 4.469 1.00 0.00 H new ATOM 0 HA LYS A 34 19.194 9.047 5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.861 7.913 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.879 8.928 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 34 20.398 10.819 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.678 9.757 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 34 21.359 10.507 2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.284 11.491 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 34 24.032 10.162 2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.320 9.001 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 23.783 8.004 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 22.109 8.018 1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 22.799 9.143 0.845 1.00 0.00 H new ATOM 521 N GLU A 35 17.051 8.355 3.299 1.00 0.00 N ATOM 522 CA GLU A 35 15.833 8.812 2.640 1.00 0.00 C ATOM 523 C GLU A 35 14.615 8.587 3.533 1.00 0.00 C ATOM 524 O GLU A 35 13.609 9.289 3.418 1.00 0.00 O ATOM 525 CB GLU A 35 15.643 8.084 1.308 1.00 0.00 C ATOM 526 CG GLU A 35 16.627 8.515 0.233 1.00 0.00 C ATOM 527 CD GLU A 35 16.527 9.993 -0.091 1.00 0.00 C ATOM 528 OE1 GLU A 35 15.458 10.424 -0.572 1.00 0.00 O ATOM 529 OE2 GLU A 35 17.517 10.718 0.138 1.00 0.00 O ATOM 0 H GLU A 35 17.292 7.381 3.113 1.00 0.00 H new ATOM 0 HA GLU A 35 15.932 9.881 2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.744 7.011 1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.628 8.257 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.641 8.287 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.447 7.935 -0.672 1.00 0.00 H new ATOM 536 N LEU A 36 14.714 7.604 4.421 1.00 0.00 N ATOM 537 CA LEU A 36 13.621 7.285 5.333 1.00 0.00 C ATOM 538 C LEU A 36 13.409 8.408 6.343 1.00 0.00 C ATOM 539 O LEU A 36 12.296 8.628 6.820 1.00 0.00 O ATOM 540 CB LEU A 36 13.908 5.973 6.065 1.00 0.00 C ATOM 541 CG LEU A 36 13.359 4.705 5.411 1.00 0.00 C ATOM 542 CD1 LEU A 36 13.921 3.466 6.092 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.838 4.697 5.455 1.00 0.00 C ATOM 0 H LEU A 36 15.539 7.014 4.529 1.00 0.00 H new ATOM 0 HA LEU A 36 12.710 7.174 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.988 5.866 6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.498 6.045 7.072 1.00 0.00 H new ATOM 0 HG LEU A 36 13.672 4.694 4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.519 2.573 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.008 3.465 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.640 3.470 7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.465 3.787 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.504 4.733 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.454 5.565 4.920 1.00 0.00 H new ATOM 555 N LYS A 37 14.485 9.119 6.664 1.00 0.00 N ATOM 556 CA LYS A 37 14.418 10.222 7.614 1.00 0.00 C ATOM 557 C LYS A 37 13.900 11.489 6.941 1.00 0.00 C ATOM 558 O LYS A 37 13.084 12.216 7.510 1.00 0.00 O ATOM 559 CB LYS A 37 15.798 10.483 8.222 1.00 0.00 C ATOM 560 CG LYS A 37 15.746 11.142 9.590 1.00 0.00 C ATOM 561 CD LYS A 37 16.970 10.796 10.422 1.00 0.00 C ATOM 562 CE LYS A 37 17.072 11.680 11.656 1.00 0.00 C ATOM 563 NZ LYS A 37 18.442 12.238 11.826 1.00 0.00 N ATOM 0 H LYS A 37 15.414 8.950 6.279 1.00 0.00 H new ATOM 0 HA LYS A 37 13.725 9.943 8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.334 9.538 8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.370 11.117 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.679 12.223 9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.846 10.822 10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.922 9.750 10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.868 10.911 9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.354 12.497 11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.803 11.102 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.885 11.819 12.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.014 12.015 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.385 13.270 11.942 1.00 0.00 H new ATOM 577 N ASP A 38 14.376 11.747 5.729 1.00 0.00 N ATOM 578 CA ASP A 38 13.958 12.925 4.977 1.00 0.00 C ATOM 579 C ASP A 38 12.479 12.842 4.615 1.00 0.00 C ATOM 580 O ASP A 38 11.818 13.863 4.426 1.00 0.00 O ATOM 581 CB ASP A 38 14.799 13.072 3.708 1.00 0.00 C ATOM 582 CG ASP A 38 14.570 14.398 3.012 1.00 0.00 C ATOM 583 OD1 ASP A 38 14.643 15.445 3.689 1.00 0.00 O ATOM 584 OD2 ASP A 38 14.317 14.390 1.789 1.00 0.00 O ATOM 0 H ASP A 38 15.052 11.156 5.245 1.00 0.00 H new ATOM 0 HA ASP A 38 14.111 13.801 5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.855 12.976 3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.561 12.259 3.022 1.00 0.00 H new ATOM 589 N ARG A 39 11.966 11.619 4.519 1.00 0.00 N ATOM 590 CA ARG A 39 10.566 11.403 4.177 1.00 0.00 C ATOM 591 C ARG A 39 9.724 11.200 5.434 1.00 0.00 C ATOM 592 O ARG A 39 8.684 11.836 5.607 1.00 0.00 O ATOM 593 CB ARG A 39 10.425 10.190 3.255 1.00 0.00 C ATOM 594 CG ARG A 39 10.716 10.498 1.795 1.00 0.00 C ATOM 595 CD ARG A 39 10.242 9.377 0.884 1.00 0.00 C ATOM 596 NE ARG A 39 9.472 9.882 -0.250 1.00 0.00 N ATOM 597 CZ ARG A 39 9.244 9.179 -1.354 1.00 0.00 C ATOM 598 NH1 ARG A 39 9.723 7.948 -1.472 1.00 0.00 N ATOM 599 NH2 ARG A 39 8.534 9.707 -2.343 1.00 0.00 N ATOM 0 H ARG A 39 12.499 10.763 4.673 1.00 0.00 H new ATOM 0 HA ARG A 39 10.204 12.290 3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.102 9.406 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.412 9.796 3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.225 11.429 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.787 10.649 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.104 8.819 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.630 8.679 1.456 1.00 0.00 H new ATOM 0 HE ARG A 39 9.089 10.825 -0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.268 7.538 -0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.546 7.411 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.163 10.653 -2.256 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.359 9.167 -3.190 1.00 0.00 H new ATOM 613 N HIS A 40 10.181 10.309 6.308 1.00 0.00 N ATOM 614 CA HIS A 40 9.471 10.022 7.549 1.00 0.00 C ATOM 615 C HIS A 40 10.095 10.775 8.719 1.00 0.00 C ATOM 616 O HIS A 40 11.115 10.356 9.267 1.00 0.00 O ATOM 617 CB HIS A 40 9.481 8.519 7.831 1.00 0.00 C ATOM 618 CG HIS A 40 9.125 7.683 6.640 1.00 0.00 C ATOM 619 ND1 HIS A 40 9.834 7.378 5.529 1.00 0.00 N flip ATOM 620 CD2 HIS A 40 7.907 7.052 6.501 1.00 0.00 C flip ATOM 621 CE1 HIS A 40 9.041 6.575 4.747 1.00 0.00 C flip ATOM 622 NE2 HIS A 40 7.883 6.393 5.356 1.00 0.00 N flip ATOM 0 H HIS A 40 11.040 9.773 6.180 1.00 0.00 H new ATOM 0 HA HIS A 40 8.440 10.356 7.434 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.471 8.231 8.184 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.780 8.304 8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.099 7.090 7.216 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.319 6.160 3.790 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.103 5.838 5.003 1.00 0.00 H new ATOM 630 N ARG A 41 9.477 11.889 9.097 1.00 0.00 N ATOM 631 CA ARG A 41 9.973 12.702 10.201 1.00 0.00 C ATOM 632 C ARG A 41 9.914 11.929 11.515 1.00 0.00 C ATOM 633 O ARG A 41 10.673 12.206 12.444 1.00 0.00 O ATOM 634 CB ARG A 41 9.159 13.992 10.318 1.00 0.00 C ATOM 635 CG ARG A 41 9.887 15.107 11.053 1.00 0.00 C ATOM 636 CD ARG A 41 10.148 16.296 10.142 1.00 0.00 C ATOM 637 NE ARG A 41 11.283 17.095 10.596 1.00 0.00 N ATOM 638 CZ ARG A 41 11.222 17.947 11.613 1.00 0.00 C ATOM 639 NH1 ARG A 41 10.086 18.110 12.278 1.00 0.00 N ATOM 640 NH2 ARG A 41 12.298 18.638 11.967 1.00 0.00 N ATOM 0 H ARG A 41 8.631 12.249 8.655 1.00 0.00 H new ATOM 0 HA ARG A 41 11.013 12.954 9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.897 14.338 9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.225 13.776 10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.294 15.427 11.910 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.833 14.731 11.442 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.337 15.942 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.257 16.923 10.100 1.00 0.00 H new ATOM 0 HE ARG A 41 12.171 16.993 10.105 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.257 17.580 12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.042 18.765 13.059 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.173 18.515 11.458 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.250 19.292 12.748 1.00 0.00 H new ATOM 654 N ASP A 42 9.009 10.960 11.584 1.00 0.00 N ATOM 655 CA ASP A 42 8.851 10.146 12.784 1.00 0.00 C ATOM 656 C ASP A 42 10.095 9.299 13.034 1.00 0.00 C ATOM 657 O ASP A 42 10.408 8.959 14.175 1.00 0.00 O ATOM 658 CB ASP A 42 7.622 9.244 12.656 1.00 0.00 C ATOM 659 CG ASP A 42 6.329 9.984 12.941 1.00 0.00 C ATOM 660 OD1 ASP A 42 6.336 11.232 12.890 1.00 0.00 O ATOM 661 OD2 ASP A 42 5.311 9.314 13.214 1.00 0.00 O ATOM 0 H ASP A 42 8.373 10.718 10.824 1.00 0.00 H new ATOM 0 HA ASP A 42 8.713 10.816 13.632 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.584 8.827 11.650 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.717 8.405 13.346 1.00 0.00 H new ATOM 666 N PHE A 43 10.799 8.960 11.959 1.00 0.00 N ATOM 667 CA PHE A 43 12.008 8.151 12.061 1.00 0.00 C ATOM 668 C PHE A 43 12.976 8.745 13.080 1.00 0.00 C ATOM 669 O PHE A 43 13.164 9.959 13.160 1.00 0.00 O ATOM 670 CB PHE A 43 12.690 8.041 10.696 1.00 0.00 C ATOM 671 CG PHE A 43 13.172 6.654 10.376 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.276 5.665 10.004 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.519 6.341 10.447 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.716 4.388 9.710 1.00 0.00 C ATOM 675 CE2 PHE A 43 14.966 5.066 10.154 1.00 0.00 C ATOM 676 CZ PHE A 43 14.063 4.089 9.784 1.00 0.00 C ATOM 0 H PHE A 43 10.553 9.233 11.007 1.00 0.00 H new ATOM 0 HA PHE A 43 11.721 7.155 12.397 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.992 8.362 9.923 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.536 8.727 10.665 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.222 5.894 9.943 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.229 7.102 10.735 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.008 3.625 9.423 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.019 4.835 10.214 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.409 3.092 9.553 1.00 0.00 H new ATOM 686 N PRO A 44 13.605 7.870 13.878 1.00 0.00 N ATOM 687 CA PRO A 44 14.565 8.284 14.906 1.00 0.00 C ATOM 688 C PRO A 44 15.861 8.820 14.307 1.00 0.00 C ATOM 689 O PRO A 44 15.954 9.040 13.099 1.00 0.00 O ATOM 690 CB PRO A 44 14.829 6.994 15.685 1.00 0.00 C ATOM 691 CG PRO A 44 14.539 5.900 14.716 1.00 0.00 C ATOM 692 CD PRO A 44 13.429 6.409 13.838 1.00 0.00 C ATOM 0 HA PRO A 44 14.179 9.097 15.520 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.860 6.948 16.037 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.188 6.924 16.564 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.423 5.656 14.126 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.240 4.989 15.234 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.511 6.022 12.822 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.450 6.112 14.215 1.00 0.00 H new ATOM 700 N ASP A 45 16.859 9.027 15.159 1.00 0.00 N ATOM 701 CA ASP A 45 18.151 9.536 14.713 1.00 0.00 C ATOM 702 C ASP A 45 19.119 8.390 14.433 1.00 0.00 C ATOM 703 O ASP A 45 20.290 8.447 14.808 1.00 0.00 O ATOM 704 CB ASP A 45 18.744 10.475 15.765 1.00 0.00 C ATOM 705 CG ASP A 45 19.801 11.396 15.189 1.00 0.00 C ATOM 706 OD1 ASP A 45 20.163 11.218 14.007 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.266 12.295 15.919 1.00 0.00 O ATOM 0 H ASP A 45 16.798 8.850 16.162 1.00 0.00 H new ATOM 0 HA ASP A 45 17.996 10.091 13.788 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.946 11.073 16.205 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.181 9.884 16.570 1.00 0.00 H new ATOM 712 N VAL A 46 18.621 7.349 13.773 1.00 0.00 N ATOM 713 CA VAL A 46 19.440 6.190 13.443 1.00 0.00 C ATOM 714 C VAL A 46 19.299 5.818 11.972 1.00 0.00 C ATOM 715 O VAL A 46 18.354 6.238 11.303 1.00 0.00 O ATOM 716 CB VAL A 46 19.064 4.972 14.308 1.00 0.00 C ATOM 717 CG1 VAL A 46 19.119 5.328 15.786 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.686 4.454 13.927 1.00 0.00 C ATOM 0 H VAL A 46 17.653 7.285 13.456 1.00 0.00 H new ATOM 0 HA VAL A 46 20.475 6.466 13.647 1.00 0.00 H new ATOM 0 HB VAL A 46 19.789 4.180 14.123 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.850 4.455 16.381 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.128 5.648 16.046 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.418 6.137 15.992 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.436 3.594 14.548 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.946 5.240 14.081 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.686 4.157 12.878 1.00 0.00 H new ATOM 728 N ILE A 47 20.243 5.026 11.474 1.00 0.00 N ATOM 729 CA ILE A 47 20.222 4.596 10.081 1.00 0.00 C ATOM 730 C ILE A 47 20.931 3.257 9.909 1.00 0.00 C ATOM 731 O ILE A 47 21.494 2.972 8.852 1.00 0.00 O ATOM 732 CB ILE A 47 20.886 5.638 9.160 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.234 6.075 9.737 1.00 0.00 C ATOM 734 CG2 ILE A 47 19.970 6.838 8.972 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.180 6.639 8.700 1.00 0.00 C ATOM 0 H ILE A 47 21.031 4.669 12.014 1.00 0.00 H new ATOM 0 HA ILE A 47 19.175 4.489 9.799 1.00 0.00 H new ATOM 0 HB ILE A 47 21.060 5.182 8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.064 6.826 10.509 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.707 5.221 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.453 7.565 8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.032 6.513 8.522 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.768 7.297 9.940 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.115 6.928 9.180 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.380 5.883 7.941 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.727 7.513 8.232 1.00 0.00 H new ATOM 747 N SER A 48 20.899 2.438 10.955 1.00 0.00 N ATOM 748 CA SER A 48 21.540 1.128 10.920 1.00 0.00 C ATOM 749 C SER A 48 20.855 0.162 11.882 1.00 0.00 C ATOM 750 O SER A 48 20.849 0.375 13.094 1.00 0.00 O ATOM 751 CB SER A 48 23.023 1.254 11.276 1.00 0.00 C ATOM 752 OG SER A 48 23.663 2.218 10.458 1.00 0.00 O ATOM 0 H SER A 48 20.436 2.658 11.837 1.00 0.00 H new ATOM 0 HA SER A 48 21.448 0.732 9.909 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.126 1.535 12.324 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.513 0.288 11.156 1.00 0.00 H new ATOM 0 HG SER A 48 24.609 2.281 10.706 1.00 0.00 H new ATOM 758 N GLY A 49 20.277 -0.901 11.332 1.00 0.00 N ATOM 759 CA GLY A 49 19.597 -1.885 12.154 1.00 0.00 C ATOM 760 C GLY A 49 18.547 -2.659 11.382 1.00 0.00 C ATOM 761 O GLY A 49 18.741 -2.982 10.210 1.00 0.00 O ATOM 0 H GLY A 49 20.267 -1.099 10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.329 -2.581 12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.126 -1.384 13.000 1.00 0.00 H new ATOM 765 N ALA A 50 17.433 -2.960 12.040 1.00 0.00 N ATOM 766 CA ALA A 50 16.348 -3.702 11.408 1.00 0.00 C ATOM 767 C ALA A 50 15.093 -2.844 11.290 1.00 0.00 C ATOM 768 O ALA A 50 14.536 -2.399 12.293 1.00 0.00 O ATOM 769 CB ALA A 50 16.050 -4.972 12.192 1.00 0.00 C ATOM 0 H ALA A 50 17.257 -2.702 13.011 1.00 0.00 H new ATOM 0 HA ALA A 50 16.666 -3.976 10.402 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.238 -5.516 11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.941 -5.600 12.220 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.757 -4.711 13.209 1.00 0.00 H new ATOM 775 N TYR A 51 14.653 -2.616 10.057 1.00 0.00 N ATOM 776 CA TYR A 51 13.465 -1.809 9.807 1.00 0.00 C ATOM 777 C TYR A 51 12.215 -2.682 9.749 1.00 0.00 C ATOM 778 O TYR A 51 12.138 -3.623 8.959 1.00 0.00 O ATOM 779 CB TYR A 51 13.617 -1.030 8.500 1.00 0.00 C ATOM 780 CG TYR A 51 12.361 -0.301 8.079 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.953 0.855 8.735 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.582 -0.767 7.028 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.806 1.524 8.355 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.435 -0.103 6.640 1.00 0.00 C ATOM 785 CZ TYR A 51 10.051 1.042 7.307 1.00 0.00 C ATOM 786 OH TYR A 51 8.907 1.705 6.924 1.00 0.00 O ATOM 0 H TYR A 51 15.101 -2.979 9.216 1.00 0.00 H new ATOM 0 HA TYR A 51 13.356 -1.104 10.632 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.426 -0.308 8.609 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.909 -1.719 7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.543 1.236 9.555 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.878 -1.664 6.505 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.502 2.420 8.876 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.842 -0.478 5.819 1.00 0.00 H new ATOM 0 HH TYR A 51 8.493 1.235 6.170 1.00 0.00 H new ATOM 796 N ILE A 52 11.238 -2.363 10.592 1.00 0.00 N ATOM 797 CA ILE A 52 9.991 -3.116 10.636 1.00 0.00 C ATOM 798 C ILE A 52 8.969 -2.545 9.659 1.00 0.00 C ATOM 799 O ILE A 52 8.579 -1.382 9.762 1.00 0.00 O ATOM 800 CB ILE A 52 9.385 -3.119 12.052 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.371 -3.728 13.051 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.070 -3.884 12.064 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.852 -3.754 14.472 1.00 0.00 C ATOM 0 H ILE A 52 11.286 -1.588 11.254 1.00 0.00 H new ATOM 0 HA ILE A 52 10.231 -4.140 10.350 1.00 0.00 H new ATOM 0 HB ILE A 52 9.186 -2.089 12.348 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.608 -4.746 12.741 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.301 -3.161 13.023 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.654 -3.877 13.072 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.367 -3.411 11.378 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.245 -4.913 11.751 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.603 -4.199 15.125 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.641 -2.736 14.801 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.938 -4.346 14.515 1.00 0.00 H new ATOM 815 N ILE A 53 8.539 -3.372 8.712 1.00 0.00 N ATOM 816 CA ILE A 53 7.559 -2.950 7.718 1.00 0.00 C ATOM 817 C ILE A 53 6.140 -3.275 8.173 1.00 0.00 C ATOM 818 O ILE A 53 5.184 -2.614 7.769 1.00 0.00 O ATOM 819 CB ILE A 53 7.816 -3.621 6.356 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.293 -3.502 5.974 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.935 -2.997 5.284 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.640 -4.197 4.676 1.00 0.00 C ATOM 0 H ILE A 53 8.853 -4.337 8.612 1.00 0.00 H new ATOM 0 HA ILE A 53 7.664 -1.871 7.608 1.00 0.00 H new ATOM 0 HB ILE A 53 7.565 -4.679 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.555 -2.447 5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.902 -3.921 6.775 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.128 -3.482 4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.887 -3.128 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.158 -1.933 5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.703 -4.071 4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.410 -5.259 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.058 -3.762 3.864 1.00 0.00 H new ATOM 834 N GLU A 54 6.013 -4.295 9.016 1.00 0.00 N ATOM 835 CA GLU A 54 4.710 -4.705 9.526 1.00 0.00 C ATOM 836 C GLU A 54 4.854 -5.840 10.535 1.00 0.00 C ATOM 837 O GLU A 54 5.629 -6.775 10.329 1.00 0.00 O ATOM 838 CB GLU A 54 3.802 -5.144 8.375 1.00 0.00 C ATOM 839 CG GLU A 54 2.464 -5.699 8.832 1.00 0.00 C ATOM 840 CD GLU A 54 1.321 -5.288 7.925 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.135 -4.071 7.718 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.611 -6.184 7.422 1.00 0.00 O ATOM 0 H GLU A 54 6.795 -4.852 9.360 1.00 0.00 H new ATOM 0 HA GLU A 54 4.259 -3.849 10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.627 -4.293 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.318 -5.902 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.520 -6.787 8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.260 -5.355 9.846 1.00 0.00 H new ATOM 849 N VAL A 55 4.102 -5.752 11.628 1.00 0.00 N ATOM 850 CA VAL A 55 4.145 -6.771 12.670 1.00 0.00 C ATOM 851 C VAL A 55 2.842 -7.561 12.719 1.00 0.00 C ATOM 852 O VAL A 55 1.816 -7.058 13.180 1.00 0.00 O ATOM 853 CB VAL A 55 4.407 -6.148 14.053 1.00 0.00 C ATOM 854 CG1 VAL A 55 3.456 -4.989 14.307 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.281 -7.201 15.144 1.00 0.00 C ATOM 0 H VAL A 55 3.456 -4.985 11.815 1.00 0.00 H new ATOM 0 HA VAL A 55 4.966 -7.444 12.422 1.00 0.00 H new ATOM 0 HB VAL A 55 5.425 -5.760 14.070 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.657 -4.562 15.290 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.601 -4.225 13.543 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.427 -5.348 14.271 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.469 -6.743 16.115 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.275 -7.621 15.130 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.008 -7.994 14.970 1.00 0.00 H new ATOM 865 N ILE A 56 2.889 -8.800 12.243 1.00 0.00 N ATOM 866 CA ILE A 56 1.713 -9.661 12.234 1.00 0.00 C ATOM 867 C ILE A 56 1.050 -9.699 13.607 1.00 0.00 C ATOM 868 O ILE A 56 1.708 -9.840 14.638 1.00 0.00 O ATOM 869 CB ILE A 56 2.069 -11.097 11.809 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.773 -11.090 10.450 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.817 -11.960 11.758 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.987 -10.385 9.366 1.00 0.00 C ATOM 0 H ILE A 56 3.730 -9.231 11.858 1.00 0.00 H new ATOM 0 HA ILE A 56 1.018 -9.238 11.508 1.00 0.00 H new ATOM 0 HB ILE A 56 2.749 -11.521 12.548 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.744 -10.607 10.556 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.960 -12.119 10.141 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.085 -12.972 11.456 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.353 -11.986 12.744 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.115 -11.540 11.038 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.546 -10.419 8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.026 -10.881 9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.822 -9.346 9.653 1.00 0.00 H new ATOM 884 N PRO A 57 -0.285 -9.572 13.624 1.00 0.00 N ATOM 885 CA PRO A 57 -1.067 -9.592 14.863 1.00 0.00 C ATOM 886 C PRO A 57 -1.092 -10.972 15.511 1.00 0.00 C ATOM 887 O PRO A 57 -0.757 -11.972 14.877 1.00 0.00 O ATOM 888 CB PRO A 57 -2.471 -9.191 14.403 1.00 0.00 C ATOM 889 CG PRO A 57 -2.527 -9.587 12.968 1.00 0.00 C ATOM 890 CD PRO A 57 -1.134 -9.401 12.433 1.00 0.00 C ATOM 0 HA PRO A 57 -0.647 -8.931 15.621 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.239 -9.701 14.985 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.637 -8.121 14.525 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.851 -10.622 12.861 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.241 -8.971 12.421 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.898 -10.135 11.663 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.004 -8.416 11.985 1.00 0.00 H new ATOM 898 N ASP A 58 -1.491 -11.018 16.778 1.00 0.00 N ATOM 899 CA ASP A 58 -1.561 -12.277 17.511 1.00 0.00 C ATOM 900 C ASP A 58 -0.175 -12.895 17.664 1.00 0.00 C ATOM 901 O ASP A 58 -0.033 -14.115 17.754 1.00 0.00 O ATOM 902 CB ASP A 58 -2.494 -13.256 16.798 1.00 0.00 C ATOM 903 CG ASP A 58 -3.141 -14.240 17.753 1.00 0.00 C ATOM 904 OD1 ASP A 58 -4.224 -13.922 18.287 1.00 0.00 O ATOM 905 OD2 ASP A 58 -2.565 -15.327 17.966 1.00 0.00 O ATOM 0 H ASP A 58 -1.770 -10.199 17.318 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.957 -12.068 18.505 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.271 -12.698 16.275 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.932 -13.804 16.042 1.00 0.00 H new ATOM 910 N THR A 59 0.847 -12.044 17.692 1.00 0.00 N ATOM 911 CA THR A 59 2.222 -12.506 17.831 1.00 0.00 C ATOM 912 C THR A 59 2.868 -11.938 19.089 1.00 0.00 C ATOM 913 O THR A 59 2.457 -10.902 19.613 1.00 0.00 O ATOM 914 CB THR A 59 3.073 -12.114 16.609 1.00 0.00 C ATOM 915 OG1 THR A 59 3.191 -10.689 16.531 1.00 0.00 O ATOM 916 CG2 THR A 59 2.455 -12.648 15.325 1.00 0.00 C ATOM 0 H THR A 59 0.748 -11.031 17.620 1.00 0.00 H new ATOM 0 HA THR A 59 2.184 -13.593 17.904 1.00 0.00 H new ATOM 0 HB THR A 59 4.063 -12.554 16.727 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.887 -10.383 15.651 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.074 -12.358 14.476 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.394 -13.735 15.375 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.454 -12.233 15.203 1.00 0.00 H new ATOM 924 N PRO A 60 3.904 -12.629 19.587 1.00 0.00 N ATOM 925 CA PRO A 60 4.630 -12.210 20.790 1.00 0.00 C ATOM 926 C PRO A 60 5.455 -10.949 20.559 1.00 0.00 C ATOM 927 O PRO A 60 6.020 -10.385 21.496 1.00 0.00 O ATOM 928 CB PRO A 60 5.545 -13.401 21.085 1.00 0.00 C ATOM 929 CG PRO A 60 5.734 -14.069 19.767 1.00 0.00 C ATOM 930 CD PRO A 60 4.447 -13.872 19.014 1.00 0.00 C ATOM 0 HA PRO A 60 3.954 -11.961 21.608 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.497 -13.075 21.504 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.093 -14.077 21.810 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.574 -13.633 19.225 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.953 -15.129 19.895 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.619 -13.779 17.942 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.766 -14.711 19.156 1.00 0.00 H new ATOM 938 N ALA A 61 5.521 -10.511 19.306 1.00 0.00 N ATOM 939 CA ALA A 61 6.275 -9.315 18.953 1.00 0.00 C ATOM 940 C ALA A 61 5.376 -8.084 18.935 1.00 0.00 C ATOM 941 O ALA A 61 5.792 -6.994 19.328 1.00 0.00 O ATOM 942 CB ALA A 61 6.951 -9.497 17.603 1.00 0.00 C ATOM 0 H ALA A 61 5.061 -10.967 18.518 1.00 0.00 H new ATOM 0 HA ALA A 61 7.041 -9.161 19.713 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.511 -8.596 17.352 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.632 -10.346 17.649 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.195 -9.679 16.839 1.00 0.00 H new ATOM 948 N GLU A 62 4.141 -8.265 18.476 1.00 0.00 N ATOM 949 CA GLU A 62 3.184 -7.167 18.406 1.00 0.00 C ATOM 950 C GLU A 62 2.874 -6.626 19.799 1.00 0.00 C ATOM 951 O GLU A 62 2.871 -5.416 20.020 1.00 0.00 O ATOM 952 CB GLU A 62 1.893 -7.629 17.728 1.00 0.00 C ATOM 953 CG GLU A 62 0.641 -6.981 18.295 1.00 0.00 C ATOM 954 CD GLU A 62 -0.556 -7.118 17.374 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.646 -6.343 16.399 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.402 -8.001 17.629 1.00 0.00 O ATOM 0 H GLU A 62 3.780 -9.161 18.148 1.00 0.00 H new ATOM 0 HA GLU A 62 3.630 -6.367 17.815 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.954 -7.410 16.662 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.808 -8.711 17.827 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.407 -7.434 19.259 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.835 -5.924 18.478 1.00 0.00 H new ATOM 963 N ALA A 63 2.612 -7.533 20.735 1.00 0.00 N ATOM 964 CA ALA A 63 2.302 -7.148 22.106 1.00 0.00 C ATOM 965 C ALA A 63 3.553 -6.679 22.841 1.00 0.00 C ATOM 966 O ALA A 63 3.492 -5.783 23.682 1.00 0.00 O ATOM 967 CB ALA A 63 1.657 -8.310 22.847 1.00 0.00 C ATOM 0 H ALA A 63 2.608 -8.539 20.568 1.00 0.00 H new ATOM 0 HA ALA A 63 1.598 -6.316 22.073 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.431 -8.009 23.870 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.735 -8.597 22.341 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.342 -9.157 22.862 1.00 0.00 H new ATOM 973 N GLY A 64 4.689 -7.291 22.518 1.00 0.00 N ATOM 974 CA GLY A 64 5.938 -6.923 23.157 1.00 0.00 C ATOM 975 C GLY A 64 6.221 -5.437 23.064 1.00 0.00 C ATOM 976 O GLY A 64 6.876 -4.866 23.936 1.00 0.00 O ATOM 0 H GLY A 64 4.766 -8.035 21.825 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.907 -7.219 24.206 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.756 -7.475 22.694 1.00 0.00 H new ATOM 980 N GLY A 65 5.728 -4.807 22.002 1.00 0.00 N ATOM 981 CA GLY A 65 5.943 -3.384 21.816 1.00 0.00 C ATOM 982 C GLY A 65 6.420 -3.048 20.417 1.00 0.00 C ATOM 983 O GLY A 65 6.368 -1.891 19.997 1.00 0.00 O ATOM 0 H GLY A 65 5.183 -5.257 21.267 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.015 -2.850 22.018 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.677 -3.033 22.541 1.00 0.00 H new ATOM 987 N LEU A 66 6.888 -4.059 19.694 1.00 0.00 N ATOM 988 CA LEU A 66 7.378 -3.865 18.334 1.00 0.00 C ATOM 989 C LEU A 66 6.267 -3.354 17.423 1.00 0.00 C ATOM 990 O LEU A 66 5.287 -4.054 17.168 1.00 0.00 O ATOM 991 CB LEU A 66 7.944 -5.175 17.783 1.00 0.00 C ATOM 992 CG LEU A 66 9.170 -5.733 18.505 1.00 0.00 C ATOM 993 CD1 LEU A 66 9.703 -6.960 17.781 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.251 -4.669 18.621 1.00 0.00 C ATOM 0 H LEU A 66 6.939 -5.022 20.027 1.00 0.00 H new ATOM 0 HA LEU A 66 8.171 -3.118 18.363 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.157 -5.928 17.812 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.202 -5.023 16.735 1.00 0.00 H new ATOM 0 HG LEU A 66 8.872 -6.030 19.510 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.576 -7.344 18.309 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.931 -7.728 17.750 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.985 -6.688 16.764 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.116 -5.084 19.138 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.547 -4.340 17.625 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.866 -3.819 19.184 1.00 0.00 H new ATOM 1006 N LYS A 67 6.428 -2.130 16.932 1.00 0.00 N ATOM 1007 CA LYS A 67 5.441 -1.524 16.045 1.00 0.00 C ATOM 1008 C LYS A 67 6.031 -1.282 14.660 1.00 0.00 C ATOM 1009 O LYS A 67 7.237 -1.411 14.458 1.00 0.00 O ATOM 1010 CB LYS A 67 4.937 -0.205 16.635 1.00 0.00 C ATOM 1011 CG LYS A 67 3.814 -0.379 17.643 1.00 0.00 C ATOM 1012 CD LYS A 67 2.459 -0.073 17.028 1.00 0.00 C ATOM 1013 CE LYS A 67 2.053 1.373 17.268 1.00 0.00 C ATOM 1014 NZ LYS A 67 1.000 1.488 18.315 1.00 0.00 N ATOM 0 H LYS A 67 7.233 -1.537 17.133 1.00 0.00 H new ATOM 0 HA LYS A 67 4.603 -2.215 15.948 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.769 0.310 17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.591 0.437 15.825 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.820 -1.401 18.022 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.984 0.278 18.496 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.492 -0.270 15.956 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.707 -0.739 17.452 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.927 1.951 17.568 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.688 1.807 16.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.751 2.489 18.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.156 0.958 18.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.357 1.097 19.210 1.00 0.00 H new ATOM 1028 N GLU A 68 5.171 -0.929 13.709 1.00 0.00 N ATOM 1029 CA GLU A 68 5.609 -0.668 12.343 1.00 0.00 C ATOM 1030 C GLU A 68 6.481 0.583 12.280 1.00 0.00 C ATOM 1031 O GLU A 68 6.355 1.482 13.110 1.00 0.00 O ATOM 1032 CB GLU A 68 4.400 -0.506 11.419 1.00 0.00 C ATOM 1033 CG GLU A 68 4.726 -0.711 9.949 1.00 0.00 C ATOM 1034 CD GLU A 68 3.484 -0.808 9.084 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.424 -1.205 9.610 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.574 -0.487 7.880 1.00 0.00 O ATOM 0 H GLU A 68 4.168 -0.817 13.860 1.00 0.00 H new ATOM 0 HA GLU A 68 6.202 -1.520 12.010 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.629 -1.218 11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.981 0.491 11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.344 0.116 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.316 -1.621 9.835 1.00 0.00 H new ATOM 1043 N ASN A 69 7.366 0.631 11.290 1.00 0.00 N ATOM 1044 CA ASN A 69 8.261 1.770 11.119 1.00 0.00 C ATOM 1045 C ASN A 69 9.199 1.909 12.314 1.00 0.00 C ATOM 1046 O ASN A 69 9.480 3.017 12.770 1.00 0.00 O ATOM 1047 CB ASN A 69 7.453 3.057 10.939 1.00 0.00 C ATOM 1048 CG ASN A 69 6.202 2.843 10.108 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.277 2.618 8.900 1.00 0.00 O ATOM 1050 ND2 ASN A 69 5.044 2.912 10.754 1.00 0.00 N ATOM 0 H ASN A 69 7.483 -0.105 10.594 1.00 0.00 H new ATOM 0 HA ASN A 69 8.862 1.597 10.226 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.173 3.447 11.918 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.078 3.812 10.462 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.169 2.776 10.248 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.030 3.101 11.756 1.00 0.00 H new ATOM 1057 N ASP A 70 9.681 0.777 12.816 1.00 0.00 N ATOM 1058 CA ASP A 70 10.589 0.772 13.956 1.00 0.00 C ATOM 1059 C ASP A 70 12.012 0.441 13.517 1.00 0.00 C ATOM 1060 O ASP A 70 12.237 -0.011 12.394 1.00 0.00 O ATOM 1061 CB ASP A 70 10.119 -0.238 15.005 1.00 0.00 C ATOM 1062 CG ASP A 70 9.322 0.413 16.119 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.767 1.462 16.630 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.256 -0.127 16.480 1.00 0.00 O ATOM 0 H ASP A 70 9.458 -0.149 12.451 1.00 0.00 H new ATOM 0 HA ASP A 70 10.586 1.770 14.395 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.508 -1.001 14.523 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.985 -0.745 15.430 1.00 0.00 H new ATOM 1069 N VAL A 71 12.970 0.671 14.409 1.00 0.00 N ATOM 1070 CA VAL A 71 14.371 0.398 14.113 1.00 0.00 C ATOM 1071 C VAL A 71 15.109 -0.092 15.354 1.00 0.00 C ATOM 1072 O VAL A 71 15.400 0.685 16.263 1.00 0.00 O ATOM 1073 CB VAL A 71 15.084 1.650 13.567 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.484 1.300 13.085 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.268 2.281 12.448 1.00 0.00 C ATOM 0 H VAL A 71 12.801 1.046 15.343 1.00 0.00 H new ATOM 0 HA VAL A 71 14.387 -0.382 13.352 1.00 0.00 H new ATOM 0 HB VAL A 71 15.175 2.377 14.374 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.972 2.197 12.703 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.064 0.897 13.915 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.420 0.556 12.291 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.786 3.164 12.074 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.144 1.562 11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.289 2.569 12.830 1.00 0.00 H new ATOM 1085 N ILE A 72 15.410 -1.386 15.384 1.00 0.00 N ATOM 1086 CA ILE A 72 16.115 -1.980 16.512 1.00 0.00 C ATOM 1087 C ILE A 72 17.604 -1.655 16.463 1.00 0.00 C ATOM 1088 O ILE A 72 18.254 -1.830 15.431 1.00 0.00 O ATOM 1089 CB ILE A 72 15.936 -3.510 16.546 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.451 -3.869 16.627 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.696 -4.106 17.722 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.028 -4.915 15.620 1.00 0.00 C ATOM 0 H ILE A 72 15.176 -2.043 14.639 1.00 0.00 H new ATOM 0 HA ILE A 72 15.681 -1.551 17.416 1.00 0.00 H new ATOM 0 HB ILE A 72 16.342 -3.930 15.626 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.227 -4.231 17.631 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.858 -2.967 16.473 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.560 -5.187 17.733 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.757 -3.875 17.625 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.316 -3.683 18.652 1.00 0.00 H new ATOM 0 HD11 ILE A 72 12.964 -5.121 15.734 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.220 -4.548 14.612 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.595 -5.831 15.787 1.00 0.00 H new ATOM 1104 N ILE A 73 18.139 -1.183 17.584 1.00 0.00 N ATOM 1105 CA ILE A 73 19.552 -0.836 17.668 1.00 0.00 C ATOM 1106 C ILE A 73 20.321 -1.860 18.496 1.00 0.00 C ATOM 1107 O ILE A 73 21.528 -2.033 18.323 1.00 0.00 O ATOM 1108 CB ILE A 73 19.753 0.561 18.286 1.00 0.00 C ATOM 1109 CG1 ILE A 73 18.982 0.676 19.603 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.308 1.640 17.310 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.824 1.182 20.753 1.00 0.00 C ATOM 0 H ILE A 73 17.615 -1.032 18.446 1.00 0.00 H new ATOM 0 HA ILE A 73 19.937 -0.833 16.648 1.00 0.00 H new ATOM 0 HB ILE A 73 20.814 0.701 18.494 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.134 1.346 19.461 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.575 -0.301 19.863 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.456 2.621 17.760 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.896 1.568 16.395 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.252 1.504 17.074 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.213 1.238 21.654 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.657 0.500 20.922 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.209 2.173 20.513 1.00 0.00 H new ATOM 1123 N SER A 74 19.614 -2.539 19.393 1.00 0.00 N ATOM 1124 CA SER A 74 20.230 -3.546 20.249 1.00 0.00 C ATOM 1125 C SER A 74 19.198 -4.571 20.711 1.00 0.00 C ATOM 1126 O SER A 74 18.003 -4.281 20.772 1.00 0.00 O ATOM 1127 CB SER A 74 20.886 -2.883 21.462 1.00 0.00 C ATOM 1128 OG SER A 74 21.349 -3.853 22.385 1.00 0.00 O ATOM 0 H SER A 74 18.614 -2.410 19.546 1.00 0.00 H new ATOM 0 HA SER A 74 20.995 -4.062 19.669 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.719 -2.261 21.134 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.170 -2.223 21.952 1.00 0.00 H new ATOM 0 HG SER A 74 21.765 -3.404 23.150 1.00 0.00 H new ATOM 1134 N ILE A 75 19.670 -5.770 21.036 1.00 0.00 N ATOM 1135 CA ILE A 75 18.790 -6.838 21.494 1.00 0.00 C ATOM 1136 C ILE A 75 19.500 -7.747 22.491 1.00 0.00 C ATOM 1137 O ILE A 75 20.568 -8.286 22.203 1.00 0.00 O ATOM 1138 CB ILE A 75 18.277 -7.688 20.316 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.521 -6.811 19.316 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.384 -8.811 20.823 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.003 -7.571 18.116 1.00 0.00 C ATOM 0 H ILE A 75 20.656 -6.026 20.991 1.00 0.00 H new ATOM 0 HA ILE A 75 17.942 -6.360 21.983 1.00 0.00 H new ATOM 0 HB ILE A 75 19.133 -8.131 19.807 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.682 -6.335 19.824 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.180 -6.013 18.974 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.029 -9.403 19.979 1.00 0.00 H new ATOM 0 HG22 ILE A 75 17.951 -9.449 21.501 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.531 -8.387 21.353 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.478 -6.886 17.450 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.839 -8.025 17.584 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.318 -8.351 18.447 1.00 0.00 H new ATOM 1153 N ASN A 76 18.899 -7.913 23.664 1.00 0.00 N ATOM 1154 CA ASN A 76 19.474 -8.758 24.704 1.00 0.00 C ATOM 1155 C ASN A 76 20.827 -8.218 25.159 1.00 0.00 C ATOM 1156 O ASN A 76 21.681 -8.969 25.627 1.00 0.00 O ATOM 1157 CB ASN A 76 19.630 -10.193 24.197 1.00 0.00 C ATOM 1158 CG ASN A 76 18.914 -11.199 25.077 1.00 0.00 C ATOM 1159 OD1 ASN A 76 18.975 -11.121 26.304 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.231 -12.151 24.453 1.00 0.00 N ATOM 0 H ASN A 76 18.014 -7.474 23.918 1.00 0.00 H new ATOM 0 HA ASN A 76 18.795 -8.753 25.557 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.240 -10.261 23.181 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.689 -10.445 24.149 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.729 -12.856 24.993 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.208 -12.177 23.434 1.00 0.00 H new ATOM 1167 N GLY A 77 21.013 -6.909 25.018 1.00 0.00 N ATOM 1168 CA GLY A 77 22.263 -6.290 25.418 1.00 0.00 C ATOM 1169 C GLY A 77 23.328 -6.387 24.344 1.00 0.00 C ATOM 1170 O GLY A 77 24.520 -6.287 24.633 1.00 0.00 O ATOM 0 H GLY A 77 20.320 -6.266 24.634 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.086 -5.241 25.656 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.626 -6.766 26.329 1.00 0.00 H new ATOM 1174 N GLN A 78 22.897 -6.582 23.102 1.00 0.00 N ATOM 1175 CA GLN A 78 23.824 -6.695 21.981 1.00 0.00 C ATOM 1176 C GLN A 78 23.377 -5.819 20.815 1.00 0.00 C ATOM 1177 O GLN A 78 22.309 -6.031 20.241 1.00 0.00 O ATOM 1178 CB GLN A 78 23.934 -8.152 21.528 1.00 0.00 C ATOM 1179 CG GLN A 78 25.284 -8.782 21.829 1.00 0.00 C ATOM 1180 CD GLN A 78 25.194 -9.885 22.865 1.00 0.00 C ATOM 1181 OE1 GLN A 78 24.382 -9.822 23.788 1.00 0.00 O ATOM 1182 NE2 GLN A 78 26.031 -10.906 22.718 1.00 0.00 N ATOM 0 H GLN A 78 21.913 -6.665 22.846 1.00 0.00 H new ATOM 0 HA GLN A 78 24.803 -6.351 22.315 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.153 -8.735 22.016 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.749 -8.205 20.455 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.705 -9.186 20.909 1.00 0.00 H new ATOM 0 HG3 GLN A 78 25.970 -8.012 22.182 1.00 0.00 H new ATOM 0 HE21 GLN A 78 26.688 -10.918 21.938 1.00 0.00 H new ATOM 0 HE22 GLN A 78 26.016 -11.678 23.385 1.00 0.00 H new ATOM 1191 N SER A 79 24.201 -4.835 20.472 1.00 0.00 N ATOM 1192 CA SER A 79 23.889 -3.924 19.376 1.00 0.00 C ATOM 1193 C SER A 79 23.851 -4.668 18.045 1.00 0.00 C ATOM 1194 O SER A 79 24.758 -5.435 17.723 1.00 0.00 O ATOM 1195 CB SER A 79 24.920 -2.795 19.314 1.00 0.00 C ATOM 1196 OG SER A 79 24.667 -1.818 20.308 1.00 0.00 O ATOM 0 H SER A 79 25.090 -4.648 20.937 1.00 0.00 H new ATOM 0 HA SER A 79 22.904 -3.496 19.561 1.00 0.00 H new ATOM 0 HB2 SER A 79 25.921 -3.205 19.449 1.00 0.00 H new ATOM 0 HB3 SER A 79 24.896 -2.330 18.328 1.00 0.00 H new ATOM 0 HG SER A 79 25.340 -1.109 20.248 1.00 0.00 H new ATOM 1202 N VAL A 80 22.793 -4.435 17.274 1.00 0.00 N ATOM 1203 CA VAL A 80 22.636 -5.082 15.977 1.00 0.00 C ATOM 1204 C VAL A 80 22.762 -4.072 14.841 1.00 0.00 C ATOM 1205 O VAL A 80 22.526 -2.879 15.028 1.00 0.00 O ATOM 1206 CB VAL A 80 21.276 -5.795 15.866 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.101 -6.791 17.003 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.142 -4.781 15.856 1.00 0.00 C ATOM 0 H VAL A 80 22.033 -3.803 17.525 1.00 0.00 H new ATOM 0 HA VAL A 80 23.433 -5.821 15.893 1.00 0.00 H new ATOM 0 HB VAL A 80 21.249 -6.345 14.925 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.134 -7.285 16.908 1.00 0.00 H new ATOM 0 HG12 VAL A 80 21.895 -7.536 16.959 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.148 -6.266 17.957 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.188 -5.303 15.777 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.164 -4.202 16.779 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.261 -4.111 15.005 1.00 0.00 H new ATOM 1218 N VAL A 81 23.134 -4.560 13.662 1.00 0.00 N ATOM 1219 CA VAL A 81 23.289 -3.701 12.494 1.00 0.00 C ATOM 1220 C VAL A 81 22.757 -4.381 11.237 1.00 0.00 C ATOM 1221 O VAL A 81 23.176 -4.065 10.123 1.00 0.00 O ATOM 1222 CB VAL A 81 24.764 -3.318 12.271 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.210 -2.289 13.300 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.650 -4.554 12.324 1.00 0.00 C ATOM 0 H VAL A 81 23.334 -5.545 13.490 1.00 0.00 H new ATOM 0 HA VAL A 81 22.711 -2.797 12.687 1.00 0.00 H new ATOM 0 HB VAL A 81 24.859 -2.873 11.281 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.255 -2.030 13.127 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.595 -1.394 13.210 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.100 -2.705 14.302 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.689 -4.264 12.164 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.552 -5.030 13.299 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.345 -5.254 11.546 1.00 0.00 H new ATOM 1234 N SER A 82 21.832 -5.316 11.424 1.00 0.00 N ATOM 1235 CA SER A 82 21.244 -6.044 10.305 1.00 0.00 C ATOM 1236 C SER A 82 19.997 -6.803 10.746 1.00 0.00 C ATOM 1237 O SER A 82 19.984 -7.439 11.800 1.00 0.00 O ATOM 1238 CB SER A 82 22.264 -7.017 9.710 1.00 0.00 C ATOM 1239 OG SER A 82 22.762 -6.540 8.472 1.00 0.00 O ATOM 0 H SER A 82 21.473 -5.588 12.339 1.00 0.00 H new ATOM 0 HA SER A 82 20.956 -5.320 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.089 -7.156 10.408 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.800 -7.993 9.567 1.00 0.00 H new ATOM 0 HG SER A 82 23.055 -5.610 8.574 1.00 0.00 H new ATOM 1245 N ALA A 83 18.949 -6.732 9.931 1.00 0.00 N ATOM 1246 CA ALA A 83 17.697 -7.413 10.235 1.00 0.00 C ATOM 1247 C ALA A 83 17.916 -8.912 10.411 1.00 0.00 C ATOM 1248 O ALA A 83 17.128 -9.591 11.067 1.00 0.00 O ATOM 1249 CB ALA A 83 16.675 -7.153 9.139 1.00 0.00 C ATOM 0 H ALA A 83 18.943 -6.209 9.055 1.00 0.00 H new ATOM 0 HA ALA A 83 17.315 -7.015 11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.745 -7.668 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.488 -6.082 9.063 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.059 -7.523 8.188 1.00 0.00 H new ATOM 1255 N ASN A 84 18.993 -9.421 9.821 1.00 0.00 N ATOM 1256 CA ASN A 84 19.315 -10.841 9.912 1.00 0.00 C ATOM 1257 C ASN A 84 19.902 -11.179 11.278 1.00 0.00 C ATOM 1258 O ASN A 84 19.808 -12.315 11.742 1.00 0.00 O ATOM 1259 CB ASN A 84 20.300 -11.233 8.809 1.00 0.00 C ATOM 1260 CG ASN A 84 19.939 -12.552 8.153 1.00 0.00 C ATOM 1261 OD1 ASN A 84 19.557 -12.592 6.983 1.00 0.00 O ATOM 1262 ND2 ASN A 84 20.059 -13.639 8.905 1.00 0.00 N ATOM 0 H ASN A 84 19.657 -8.872 9.275 1.00 0.00 H new ATOM 0 HA ASN A 84 18.392 -11.407 9.783 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.325 -10.449 8.052 1.00 0.00 H new ATOM 0 HB3 ASN A 84 21.303 -11.302 9.229 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.831 -14.555 8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 84 20.379 -13.559 9.870 1.00 0.00 H new ATOM 1269 N ASP A 85 20.509 -10.185 11.918 1.00 0.00 N ATOM 1270 CA ASP A 85 21.111 -10.375 13.232 1.00 0.00 C ATOM 1271 C ASP A 85 20.041 -10.415 14.319 1.00 0.00 C ATOM 1272 O ASP A 85 20.084 -11.257 15.216 1.00 0.00 O ATOM 1273 CB ASP A 85 22.112 -9.257 13.525 1.00 0.00 C ATOM 1274 CG ASP A 85 23.539 -9.661 13.213 1.00 0.00 C ATOM 1275 OD1 ASP A 85 23.935 -9.575 12.032 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.261 -10.064 14.150 1.00 0.00 O ATOM 0 H ASP A 85 20.597 -9.239 11.547 1.00 0.00 H new ATOM 0 HA ASP A 85 21.636 -11.330 13.229 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.850 -8.376 12.939 1.00 0.00 H new ATOM 0 HB3 ASP A 85 22.039 -8.974 14.575 1.00 0.00 H new ATOM 1281 N VAL A 86 19.082 -9.498 14.233 1.00 0.00 N ATOM 1282 CA VAL A 86 18.001 -9.429 15.209 1.00 0.00 C ATOM 1283 C VAL A 86 17.152 -10.695 15.180 1.00 0.00 C ATOM 1284 O VAL A 86 16.507 -11.045 16.168 1.00 0.00 O ATOM 1285 CB VAL A 86 17.095 -8.210 14.955 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.882 -6.917 15.110 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.460 -8.296 13.576 1.00 0.00 C ATOM 0 H VAL A 86 19.032 -8.793 13.498 1.00 0.00 H new ATOM 0 HA VAL A 86 18.465 -9.330 16.190 1.00 0.00 H new ATOM 0 HB VAL A 86 16.297 -8.212 15.697 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.225 -6.067 14.927 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.283 -6.854 16.122 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.703 -6.902 14.393 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.823 -7.426 13.414 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.241 -8.320 12.816 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.860 -9.203 13.508 1.00 0.00 H new ATOM 1297 N SER A 87 17.157 -11.378 14.040 1.00 0.00 N ATOM 1298 CA SER A 87 16.385 -12.604 13.880 1.00 0.00 C ATOM 1299 C SER A 87 17.109 -13.789 14.514 1.00 0.00 C ATOM 1300 O SER A 87 16.487 -14.786 14.881 1.00 0.00 O ATOM 1301 CB SER A 87 16.129 -12.882 12.398 1.00 0.00 C ATOM 1302 OG SER A 87 17.304 -13.345 11.755 1.00 0.00 O ATOM 0 H SER A 87 17.687 -11.103 13.213 1.00 0.00 H new ATOM 0 HA SER A 87 15.429 -12.470 14.387 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.338 -13.625 12.296 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.778 -11.973 11.910 1.00 0.00 H new ATOM 0 HG SER A 87 18.060 -12.774 12.004 1.00 0.00 H new ATOM 1308 N ASP A 88 18.426 -13.671 14.638 1.00 0.00 N ATOM 1309 CA ASP A 88 19.236 -14.730 15.228 1.00 0.00 C ATOM 1310 C ASP A 88 18.949 -14.867 16.720 1.00 0.00 C ATOM 1311 O ASP A 88 18.708 -15.967 17.218 1.00 0.00 O ATOM 1312 CB ASP A 88 20.723 -14.448 15.006 1.00 0.00 C ATOM 1313 CG ASP A 88 21.381 -15.482 14.114 1.00 0.00 C ATOM 1314 OD1 ASP A 88 21.573 -16.628 14.573 1.00 0.00 O ATOM 1315 OD2 ASP A 88 21.704 -15.146 12.955 1.00 0.00 O ATOM 0 H ASP A 88 18.956 -12.853 14.338 1.00 0.00 H new ATOM 0 HA ASP A 88 18.975 -15.668 14.739 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.840 -13.460 14.560 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.233 -14.425 15.969 1.00 0.00 H new ATOM 1320 N VAL A 89 18.978 -13.743 17.429 1.00 0.00 N ATOM 1321 CA VAL A 89 18.721 -13.738 18.864 1.00 0.00 C ATOM 1322 C VAL A 89 17.414 -14.452 19.191 1.00 0.00 C ATOM 1323 O VAL A 89 17.264 -15.029 20.268 1.00 0.00 O ATOM 1324 CB VAL A 89 18.660 -12.302 19.417 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.497 -12.319 20.930 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.904 -11.523 19.016 1.00 0.00 C ATOM 0 H VAL A 89 19.177 -12.824 17.033 1.00 0.00 H new ATOM 0 HA VAL A 89 19.549 -14.267 19.336 1.00 0.00 H new ATOM 0 HB VAL A 89 17.792 -11.802 18.987 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.456 -11.296 21.303 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.574 -12.838 21.191 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.344 -12.836 21.381 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.844 -10.511 19.415 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.788 -12.019 19.416 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.972 -11.481 17.929 1.00 0.00 H new ATOM 1336 N ILE A 90 16.473 -14.410 18.254 1.00 0.00 N ATOM 1337 CA ILE A 90 15.179 -15.055 18.442 1.00 0.00 C ATOM 1338 C ILE A 90 15.344 -16.540 18.744 1.00 0.00 C ATOM 1339 O ILE A 90 14.730 -17.069 19.671 1.00 0.00 O ATOM 1340 CB ILE A 90 14.283 -14.892 17.201 1.00 0.00 C ATOM 1341 CG1 ILE A 90 14.154 -13.413 16.829 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.912 -15.501 17.453 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.271 -13.168 15.625 1.00 0.00 C ATOM 0 H ILE A 90 16.582 -13.936 17.357 1.00 0.00 H new ATOM 0 HA ILE A 90 14.703 -14.564 19.291 1.00 0.00 H new ATOM 0 HB ILE A 90 14.745 -15.419 16.366 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.752 -12.866 17.682 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.146 -13.009 16.630 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.290 -15.378 16.566 1.00 0.00 H new ATOM 0 HG22 ILE A 90 13.021 -16.563 17.675 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.441 -15.000 18.299 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.225 -12.099 15.419 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.683 -13.687 14.760 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.267 -13.542 15.828 1.00 0.00 H new ATOM 1355 N LYS A 91 16.180 -17.209 17.957 1.00 0.00 N ATOM 1356 CA LYS A 91 16.430 -18.634 18.140 1.00 0.00 C ATOM 1357 C LYS A 91 17.621 -18.862 19.066 1.00 0.00 C ATOM 1358 O LYS A 91 17.779 -19.943 19.634 1.00 0.00 O ATOM 1359 CB LYS A 91 16.684 -19.306 16.789 1.00 0.00 C ATOM 1360 CG LYS A 91 18.039 -18.972 16.189 1.00 0.00 C ATOM 1361 CD LYS A 91 17.905 -18.445 14.770 1.00 0.00 C ATOM 1362 CE LYS A 91 17.732 -19.577 13.769 1.00 0.00 C ATOM 1363 NZ LYS A 91 16.379 -19.565 13.147 1.00 0.00 N ATOM 0 H LYS A 91 16.696 -16.787 17.185 1.00 0.00 H new ATOM 0 HA LYS A 91 15.546 -19.077 18.598 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.606 -20.386 16.910 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.903 -19.006 16.091 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.539 -18.228 16.809 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.668 -19.862 16.190 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.050 -17.771 14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.789 -17.862 14.512 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.490 -19.493 12.991 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.893 -20.532 14.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.301 -20.351 12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.656 -19.671 13.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.234 -18.664 12.648 1.00 0.00 H new ATOM 1377 N ARG A 92 18.454 -17.838 19.215 1.00 0.00 N ATOM 1378 CA ARG A 92 19.630 -17.928 20.072 1.00 0.00 C ATOM 1379 C ARG A 92 19.234 -17.877 21.545 1.00 0.00 C ATOM 1380 O ARG A 92 19.565 -18.776 22.317 1.00 0.00 O ATOM 1381 CB ARG A 92 20.606 -16.793 19.756 1.00 0.00 C ATOM 1382 CG ARG A 92 22.032 -17.076 20.197 1.00 0.00 C ATOM 1383 CD ARG A 92 23.014 -16.915 19.047 1.00 0.00 C ATOM 1384 NE ARG A 92 24.401 -17.003 19.495 1.00 0.00 N ATOM 1385 CZ ARG A 92 24.973 -18.131 19.898 1.00 0.00 C ATOM 1386 NH1 ARG A 92 24.281 -19.262 19.910 1.00 0.00 N ATOM 1387 NH2 ARG A 92 26.241 -18.131 20.291 1.00 0.00 N ATOM 0 H ARG A 92 18.337 -16.936 18.753 1.00 0.00 H new ATOM 0 HA ARG A 92 20.118 -18.883 19.877 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.597 -16.606 18.682 1.00 0.00 H new ATOM 0 HB3 ARG A 92 20.259 -15.881 20.241 1.00 0.00 H new ATOM 0 HG2 ARG A 92 22.304 -16.399 21.007 1.00 0.00 H new ATOM 0 HG3 ARG A 92 22.097 -18.089 20.593 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.825 -17.685 18.299 1.00 0.00 H new ATOM 0 HD3 ARG A 92 22.850 -15.953 18.562 1.00 0.00 H new ATOM 0 HE ARG A 92 24.961 -16.151 19.498 1.00 0.00 H new ATOM 0 HH11 ARG A 92 23.306 -19.267 19.609 1.00 0.00 H new ATOM 0 HH12 ARG A 92 24.723 -20.127 20.220 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.777 -17.263 20.284 1.00 0.00 H new ATOM 0 HH22 ARG A 92 26.679 -18.999 20.600 1.00 0.00 H new ATOM 1401 N GLU A 93 18.524 -16.819 21.925 1.00 0.00 N ATOM 1402 CA GLU A 93 18.085 -16.651 23.305 1.00 0.00 C ATOM 1403 C GLU A 93 16.570 -16.797 23.416 1.00 0.00 C ATOM 1404 O GLU A 93 15.835 -16.478 22.482 1.00 0.00 O ATOM 1405 CB GLU A 93 18.517 -15.283 23.839 1.00 0.00 C ATOM 1406 CG GLU A 93 19.949 -14.918 23.489 1.00 0.00 C ATOM 1407 CD GLU A 93 20.963 -15.815 24.171 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.995 -15.832 25.419 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.726 -16.500 23.457 1.00 0.00 O ATOM 0 H GLU A 93 18.241 -16.067 21.297 1.00 0.00 H new ATOM 0 HA GLU A 93 18.553 -17.431 23.905 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.849 -14.519 23.441 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.403 -15.273 24.923 1.00 0.00 H new ATOM 0 HG2 GLU A 93 20.082 -14.981 22.409 1.00 0.00 H new ATOM 0 HG3 GLU A 93 20.136 -13.883 23.774 1.00 0.00 H new ATOM 1416 N SER A 94 16.110 -17.284 24.565 1.00 0.00 N ATOM 1417 CA SER A 94 14.684 -17.477 24.797 1.00 0.00 C ATOM 1418 C SER A 94 13.941 -16.145 24.754 1.00 0.00 C ATOM 1419 O SER A 94 12.979 -15.979 24.003 1.00 0.00 O ATOM 1420 CB SER A 94 14.453 -18.160 26.146 1.00 0.00 C ATOM 1421 OG SER A 94 13.580 -19.268 26.014 1.00 0.00 O ATOM 0 H SER A 94 16.705 -17.552 25.349 1.00 0.00 H new ATOM 0 HA SER A 94 14.295 -18.115 24.004 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.406 -18.491 26.557 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.033 -17.444 26.852 1.00 0.00 H new ATOM 0 HG SER A 94 13.450 -19.688 26.890 1.00 0.00 H new ATOM 1427 N THR A 95 14.395 -15.195 25.567 1.00 0.00 N ATOM 1428 CA THR A 95 13.774 -13.878 25.624 1.00 0.00 C ATOM 1429 C THR A 95 14.407 -12.927 24.615 1.00 0.00 C ATOM 1430 O THR A 95 15.479 -13.203 24.074 1.00 0.00 O ATOM 1431 CB THR A 95 13.889 -13.264 27.032 1.00 0.00 C ATOM 1432 OG1 THR A 95 13.867 -14.299 28.022 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.754 -12.284 27.290 1.00 0.00 C ATOM 0 H THR A 95 15.190 -15.314 26.194 1.00 0.00 H new ATOM 0 HA THR A 95 12.721 -14.015 25.379 1.00 0.00 H new ATOM 0 HB THR A 95 14.834 -12.725 27.092 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.942 -13.900 28.914 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.857 -11.864 28.290 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.792 -11.481 26.553 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.799 -12.804 27.211 1.00 0.00 H new ATOM 1441 N LEU A 96 13.739 -11.807 24.365 1.00 0.00 N ATOM 1442 CA LEU A 96 14.237 -10.813 23.419 1.00 0.00 C ATOM 1443 C LEU A 96 14.119 -9.406 23.995 1.00 0.00 C ATOM 1444 O LEU A 96 13.058 -8.786 23.933 1.00 0.00 O ATOM 1445 CB LEU A 96 13.467 -10.904 22.101 1.00 0.00 C ATOM 1446 CG LEU A 96 13.435 -12.280 21.435 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.577 -12.246 20.180 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.846 -12.747 21.107 1.00 0.00 C ATOM 0 H LEU A 96 12.851 -11.563 24.804 1.00 0.00 H new ATOM 0 HA LEU A 96 15.290 -11.021 23.232 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.440 -10.586 22.281 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.903 -10.193 21.399 1.00 0.00 H new ATOM 0 HG LEU A 96 12.992 -12.990 22.133 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.566 -13.234 19.720 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.559 -11.957 20.443 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.990 -11.523 19.477 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.804 -13.728 20.634 1.00 0.00 H new ATOM 0 HD22 LEU A 96 15.316 -12.036 20.427 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.430 -12.812 22.025 1.00 0.00 H new ATOM 1460 N ASN A 97 15.217 -8.907 24.554 1.00 0.00 N ATOM 1461 CA ASN A 97 15.237 -7.571 25.140 1.00 0.00 C ATOM 1462 C ASN A 97 15.699 -6.536 24.119 1.00 0.00 C ATOM 1463 O ASN A 97 16.828 -6.049 24.182 1.00 0.00 O ATOM 1464 CB ASN A 97 16.154 -7.542 26.364 1.00 0.00 C ATOM 1465 CG ASN A 97 15.440 -7.970 27.632 1.00 0.00 C ATOM 1466 OD1 ASN A 97 15.349 -7.207 28.594 1.00 0.00 O ATOM 1467 ND2 ASN A 97 14.930 -9.196 27.638 1.00 0.00 N ATOM 0 H ASN A 97 16.104 -9.407 24.614 1.00 0.00 H new ATOM 0 HA ASN A 97 14.222 -7.322 25.449 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.007 -8.199 26.191 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.549 -6.534 26.495 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.439 -9.540 28.463 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.030 -9.794 26.818 1.00 0.00 H new ATOM 1474 N MET A 98 14.819 -6.205 23.180 1.00 0.00 N ATOM 1475 CA MET A 98 15.137 -5.226 22.146 1.00 0.00 C ATOM 1476 C MET A 98 14.992 -3.805 22.681 1.00 0.00 C ATOM 1477 O MET A 98 14.310 -3.573 23.679 1.00 0.00 O ATOM 1478 CB MET A 98 14.228 -5.423 20.931 1.00 0.00 C ATOM 1479 CG MET A 98 14.036 -6.880 20.545 1.00 0.00 C ATOM 1480 SD MET A 98 13.624 -7.089 18.802 1.00 0.00 S ATOM 1481 CE MET A 98 13.064 -8.790 18.788 1.00 0.00 C ATOM 0 H MET A 98 13.881 -6.600 23.113 1.00 0.00 H new ATOM 0 HA MET A 98 16.173 -5.377 21.843 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.254 -4.980 21.140 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.648 -4.883 20.082 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.948 -7.434 20.768 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.243 -7.312 21.156 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.562 -9.000 17.844 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.920 -9.456 18.900 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.369 -8.951 19.612 1.00 0.00 H new ATOM 1491 N VAL A 99 15.637 -2.856 22.009 1.00 0.00 N ATOM 1492 CA VAL A 99 15.578 -1.457 22.416 1.00 0.00 C ATOM 1493 C VAL A 99 15.400 -0.541 21.211 1.00 0.00 C ATOM 1494 O VAL A 99 16.368 -0.192 20.534 1.00 0.00 O ATOM 1495 CB VAL A 99 16.849 -1.042 23.180 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.756 0.411 23.622 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.077 -1.957 24.373 1.00 0.00 C ATOM 0 H VAL A 99 16.206 -3.031 21.181 1.00 0.00 H new ATOM 0 HA VAL A 99 14.716 -1.355 23.076 1.00 0.00 H new ATOM 0 HB VAL A 99 17.703 -1.139 22.509 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.663 0.686 24.160 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.645 1.051 22.747 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.893 0.538 24.276 1.00 0.00 H new ATOM 0 HG21 VAL A 99 17.979 -1.649 24.901 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.223 -1.895 25.048 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.192 -2.984 24.027 1.00 0.00 H new ATOM 1507 N VAL A 100 14.156 -0.154 20.947 1.00 0.00 N ATOM 1508 CA VAL A 100 13.851 0.723 19.823 1.00 0.00 C ATOM 1509 C VAL A 100 13.729 2.174 20.276 1.00 0.00 C ATOM 1510 O VAL A 100 13.380 2.449 21.424 1.00 0.00 O ATOM 1511 CB VAL A 100 12.545 0.304 19.123 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.350 0.539 20.035 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.380 1.055 17.810 1.00 0.00 C ATOM 0 H VAL A 100 13.343 -0.434 21.496 1.00 0.00 H new ATOM 0 HA VAL A 100 14.677 0.634 19.118 1.00 0.00 H new ATOM 0 HB VAL A 100 12.598 -0.762 18.902 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.436 0.237 19.523 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.466 -0.048 20.946 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.290 1.597 20.291 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.452 0.747 17.329 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.349 2.127 18.005 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.221 0.830 17.154 1.00 0.00 H new ATOM 1523 N ARG A 101 14.018 3.098 19.366 1.00 0.00 N ATOM 1524 CA ARG A 101 13.942 4.522 19.672 1.00 0.00 C ATOM 1525 C ARG A 101 12.587 5.094 19.265 1.00 0.00 C ATOM 1526 O ARG A 101 12.233 5.096 18.085 1.00 0.00 O ATOM 1527 CB ARG A 101 15.063 5.280 18.959 1.00 0.00 C ATOM 1528 CG ARG A 101 16.437 5.048 19.567 1.00 0.00 C ATOM 1529 CD ARG A 101 16.599 5.798 20.880 1.00 0.00 C ATOM 1530 NE ARG A 101 17.997 6.112 21.162 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.381 7.052 22.018 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.476 7.767 22.672 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.672 7.279 22.222 1.00 0.00 N ATOM 0 H ARG A 101 14.307 2.887 18.411 1.00 0.00 H new ATOM 0 HA ARG A 101 14.060 4.643 20.749 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.083 4.981 17.911 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.840 6.347 18.981 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.586 3.981 19.735 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.206 5.371 18.865 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.020 6.721 20.844 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.191 5.198 21.693 1.00 0.00 H new ATOM 0 HE ARG A 101 18.718 5.580 20.675 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.482 7.596 22.518 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.773 8.488 23.329 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.372 6.731 21.721 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.965 8.001 22.880 1.00 0.00 H new ATOM 1547 N ARG A 102 11.834 5.576 20.247 1.00 0.00 N ATOM 1548 CA ARG A 102 10.518 6.149 19.991 1.00 0.00 C ATOM 1549 C ARG A 102 10.448 7.592 20.482 1.00 0.00 C ATOM 1550 O ARG A 102 10.667 7.869 21.661 1.00 0.00 O ATOM 1551 CB ARG A 102 9.433 5.313 20.673 1.00 0.00 C ATOM 1552 CG ARG A 102 8.507 4.606 19.698 1.00 0.00 C ATOM 1553 CD ARG A 102 7.913 3.346 20.309 1.00 0.00 C ATOM 1554 NE ARG A 102 8.379 2.138 19.634 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.950 0.917 19.933 1.00 0.00 C ATOM 1556 NH1 ARG A 102 7.048 0.743 20.889 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.422 -0.134 19.274 1.00 0.00 N ATOM 0 H ARG A 102 12.112 5.581 21.228 1.00 0.00 H new ATOM 0 HA ARG A 102 10.349 6.142 18.914 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.908 4.570 21.314 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.840 5.960 21.320 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.704 5.281 19.402 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.057 4.348 18.793 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.178 3.296 21.365 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.825 3.395 20.255 1.00 0.00 H new ATOM 0 HE ARG A 102 9.072 2.237 18.892 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.682 1.548 21.397 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.720 -0.196 21.116 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.115 -0.005 18.537 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.092 -1.071 19.505 1.00 0.00 H new ATOM 1571 N GLY A 103 10.141 8.508 19.569 1.00 0.00 N ATOM 1572 CA GLY A 103 10.048 9.911 19.928 1.00 0.00 C ATOM 1573 C GLY A 103 11.406 10.536 20.181 1.00 0.00 C ATOM 1574 O GLY A 103 12.079 10.972 19.248 1.00 0.00 O ATOM 0 H GLY A 103 9.955 8.304 18.587 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.544 10.455 19.129 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.432 10.014 20.821 1.00 0.00 H new ATOM 1578 N ASN A 104 11.808 10.582 21.447 1.00 0.00 N ATOM 1579 CA ASN A 104 13.094 11.161 21.820 1.00 0.00 C ATOM 1580 C ASN A 104 13.728 10.383 22.969 1.00 0.00 C ATOM 1581 O ASN A 104 14.356 10.965 23.852 1.00 0.00 O ATOM 1582 CB ASN A 104 12.920 12.628 22.217 1.00 0.00 C ATOM 1583 CG ASN A 104 12.583 13.512 21.031 1.00 0.00 C ATOM 1584 OD1 ASN A 104 13.450 13.841 20.222 1.00 0.00 O ATOM 1585 ND2 ASN A 104 11.317 13.899 20.924 1.00 0.00 N ATOM 0 H ASN A 104 11.262 10.226 22.232 1.00 0.00 H new ATOM 0 HA ASN A 104 13.756 11.101 20.956 1.00 0.00 H new ATOM 0 HB2 ASN A 104 12.129 12.708 22.963 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.837 12.986 22.685 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.029 14.494 20.147 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.632 13.601 21.619 1.00 0.00 H new ATOM 1592 N GLU A 105 13.558 9.064 22.949 1.00 0.00 N ATOM 1593 CA GLU A 105 14.114 8.207 23.990 1.00 0.00 C ATOM 1594 C GLU A 105 14.153 6.752 23.533 1.00 0.00 C ATOM 1595 O GLU A 105 13.787 6.436 22.400 1.00 0.00 O ATOM 1596 CB GLU A 105 13.291 8.328 25.274 1.00 0.00 C ATOM 1597 CG GLU A 105 11.790 8.277 25.043 1.00 0.00 C ATOM 1598 CD GLU A 105 11.018 7.918 26.298 1.00 0.00 C ATOM 1599 OE1 GLU A 105 11.419 6.957 26.987 1.00 0.00 O ATOM 1600 OE2 GLU A 105 10.013 8.599 26.590 1.00 0.00 O ATOM 0 H GLU A 105 13.040 8.567 22.224 1.00 0.00 H new ATOM 0 HA GLU A 105 15.134 8.535 24.189 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.573 7.523 25.953 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.542 9.266 25.769 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.450 9.245 24.676 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.571 7.546 24.265 1.00 0.00 H new ATOM 1607 N ASP A 106 14.599 5.871 24.421 1.00 0.00 N ATOM 1608 CA ASP A 106 14.686 4.449 24.110 1.00 0.00 C ATOM 1609 C ASP A 106 13.687 3.649 24.941 1.00 0.00 C ATOM 1610 O ASP A 106 13.432 3.971 26.102 1.00 0.00 O ATOM 1611 CB ASP A 106 16.104 3.936 24.363 1.00 0.00 C ATOM 1612 CG ASP A 106 16.736 4.560 25.591 1.00 0.00 C ATOM 1613 OD1 ASP A 106 17.271 5.683 25.478 1.00 0.00 O ATOM 1614 OD2 ASP A 106 16.695 3.927 26.666 1.00 0.00 O ATOM 0 H ASP A 106 14.906 6.116 25.362 1.00 0.00 H new ATOM 0 HA ASP A 106 14.443 4.317 23.056 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.079 2.853 24.482 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.724 4.147 23.492 1.00 0.00 H new ATOM 1619 N ILE A 107 13.125 2.607 24.339 1.00 0.00 N ATOM 1620 CA ILE A 107 12.154 1.762 25.023 1.00 0.00 C ATOM 1621 C ILE A 107 12.485 0.285 24.839 1.00 0.00 C ATOM 1622 O ILE A 107 12.847 -0.149 23.746 1.00 0.00 O ATOM 1623 CB ILE A 107 10.724 2.023 24.516 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.399 3.517 24.588 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.719 1.218 25.327 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.060 3.874 23.980 1.00 0.00 C ATOM 0 H ILE A 107 13.325 2.327 23.379 1.00 0.00 H new ATOM 0 HA ILE A 107 12.207 2.015 26.082 1.00 0.00 H new ATOM 0 HB ILE A 107 10.660 1.705 23.475 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.411 3.833 25.631 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.182 4.076 24.076 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.713 1.413 24.957 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.941 0.155 25.230 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.782 1.508 26.376 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.896 4.948 24.066 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.050 3.589 22.928 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.268 3.343 24.507 1.00 0.00 H new ATOM 1638 N MET A 108 12.355 -0.484 25.916 1.00 0.00 N ATOM 1639 CA MET A 108 12.637 -1.914 25.872 1.00 0.00 C ATOM 1640 C MET A 108 11.433 -2.690 25.347 1.00 0.00 C ATOM 1641 O MET A 108 10.290 -2.377 25.680 1.00 0.00 O ATOM 1642 CB MET A 108 13.020 -2.423 27.263 1.00 0.00 C ATOM 1643 CG MET A 108 14.458 -2.115 27.648 1.00 0.00 C ATOM 1644 SD MET A 108 15.097 -3.239 28.905 1.00 0.00 S ATOM 1645 CE MET A 108 16.776 -3.474 28.327 1.00 0.00 C ATOM 0 H MET A 108 12.056 -0.141 26.829 1.00 0.00 H new ATOM 0 HA MET A 108 13.474 -2.073 25.192 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.352 -1.978 28.000 1.00 0.00 H new ATOM 0 HB3 MET A 108 12.865 -3.501 27.302 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.088 -2.173 26.760 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.520 -1.091 28.017 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.302 -4.148 29.003 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.759 -3.904 27.326 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.289 -2.513 28.300 1.00 0.00 H new ATOM 1655 N ILE A 109 11.698 -3.701 24.527 1.00 0.00 N ATOM 1656 CA ILE A 109 10.636 -4.521 23.958 1.00 0.00 C ATOM 1657 C ILE A 109 10.883 -6.002 24.222 1.00 0.00 C ATOM 1658 O ILE A 109 11.649 -6.652 23.510 1.00 0.00 O ATOM 1659 CB ILE A 109 10.504 -4.297 22.440 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.327 -2.808 22.135 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.336 -5.099 21.886 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.119 -2.193 22.808 1.00 0.00 C ATOM 0 H ILE A 109 12.639 -3.972 24.242 1.00 0.00 H new ATOM 0 HA ILE A 109 9.709 -4.218 24.444 1.00 0.00 H new ATOM 0 HB ILE A 109 11.418 -4.641 21.956 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.222 -2.272 22.451 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.240 -2.674 21.057 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.256 -4.930 20.812 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.501 -6.160 22.075 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.414 -4.782 22.373 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.056 -1.136 22.548 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.216 -2.704 22.473 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.213 -2.295 23.889 1.00 0.00 H new ATOM 1674 N THR A 110 10.229 -6.531 25.251 1.00 0.00 N ATOM 1675 CA THR A 110 10.376 -7.936 25.610 1.00 0.00 C ATOM 1676 C THR A 110 9.458 -8.817 24.771 1.00 0.00 C ATOM 1677 O THR A 110 8.236 -8.679 24.816 1.00 0.00 O ATOM 1678 CB THR A 110 10.071 -8.170 27.101 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.710 -7.164 27.896 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.545 -9.547 27.541 1.00 0.00 C ATOM 0 H THR A 110 9.592 -6.007 25.851 1.00 0.00 H new ATOM 0 HA THR A 110 11.414 -8.205 25.413 1.00 0.00 H new ATOM 0 HB THR A 110 8.992 -8.112 27.241 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.510 -7.319 28.843 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.319 -9.689 28.598 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.036 -10.312 26.955 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.621 -9.628 27.386 1.00 0.00 H new ATOM 1688 N VAL A 111 10.055 -9.725 24.005 1.00 0.00 N ATOM 1689 CA VAL A 111 9.290 -10.631 23.156 1.00 0.00 C ATOM 1690 C VAL A 111 9.616 -12.087 23.473 1.00 0.00 C ATOM 1691 O VAL A 111 10.762 -12.427 23.768 1.00 0.00 O ATOM 1692 CB VAL A 111 9.565 -10.368 21.664 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.842 -11.390 20.799 1.00 0.00 C ATOM 1694 CG2 VAL A 111 9.152 -8.953 21.288 1.00 0.00 C ATOM 0 H VAL A 111 11.066 -9.853 23.955 1.00 0.00 H new ATOM 0 HA VAL A 111 8.236 -10.444 23.362 1.00 0.00 H new ATOM 0 HB VAL A 111 10.636 -10.470 21.487 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.048 -11.188 19.748 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.190 -12.392 21.051 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.769 -11.323 20.977 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.353 -8.784 20.230 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.087 -8.822 21.480 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.719 -8.238 21.884 1.00 0.00 H new ATOM 1704 N ILE A 112 8.600 -12.942 23.409 1.00 0.00 N ATOM 1705 CA ILE A 112 8.779 -14.361 23.687 1.00 0.00 C ATOM 1706 C ILE A 112 8.460 -15.207 22.459 1.00 0.00 C ATOM 1707 O ILE A 112 7.330 -15.651 22.256 1.00 0.00 O ATOM 1708 CB ILE A 112 7.890 -14.822 24.858 1.00 0.00 C ATOM 1709 CG1 ILE A 112 8.021 -13.855 26.037 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.262 -16.235 25.281 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.442 -13.692 26.530 1.00 0.00 C ATOM 0 H ILE A 112 7.645 -12.676 23.167 1.00 0.00 H new ATOM 0 HA ILE A 112 9.826 -14.499 23.959 1.00 0.00 H new ATOM 0 HB ILE A 112 6.851 -14.824 24.528 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.633 -12.880 25.742 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.398 -14.210 26.858 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.625 -16.546 26.109 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.123 -16.915 24.441 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.305 -16.258 25.597 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.459 -12.993 27.366 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.827 -14.658 26.857 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.065 -13.308 25.723 1.00 0.00 H new ATOM 1723 N PRO A 113 9.480 -15.437 21.618 1.00 0.00 N ATOM 1724 CA PRO A 113 9.334 -16.232 20.396 1.00 0.00 C ATOM 1725 C PRO A 113 9.114 -17.712 20.690 1.00 0.00 C ATOM 1726 O PRO A 113 9.712 -18.266 21.612 1.00 0.00 O ATOM 1727 CB PRO A 113 10.667 -16.023 19.674 1.00 0.00 C ATOM 1728 CG PRO A 113 11.636 -15.693 20.757 1.00 0.00 C ATOM 1729 CD PRO A 113 10.854 -14.938 21.796 1.00 0.00 C ATOM 0 HA PRO A 113 8.466 -15.926 19.813 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.969 -16.919 19.132 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.600 -15.217 18.944 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.073 -16.598 21.179 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.459 -15.090 20.374 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.226 -15.136 22.801 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.914 -13.861 21.640 1.00 0.00 H new ATOM 1737 N GLU A 114 8.253 -18.347 19.900 1.00 0.00 N ATOM 1738 CA GLU A 114 7.956 -19.763 20.078 1.00 0.00 C ATOM 1739 C GLU A 114 8.545 -20.591 18.939 1.00 0.00 C ATOM 1740 O GLU A 114 8.532 -20.170 17.783 1.00 0.00 O ATOM 1741 CB GLU A 114 6.444 -19.984 20.154 1.00 0.00 C ATOM 1742 CG GLU A 114 5.730 -19.002 21.068 1.00 0.00 C ATOM 1743 CD GLU A 114 6.208 -19.089 22.504 1.00 0.00 C ATOM 1744 OE1 GLU A 114 7.171 -18.373 22.853 1.00 0.00 O ATOM 1745 OE2 GLU A 114 5.621 -19.872 23.279 1.00 0.00 O ATOM 0 H GLU A 114 7.750 -17.903 19.132 1.00 0.00 H new ATOM 0 HA GLU A 114 8.411 -20.088 21.013 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.023 -19.906 19.152 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.251 -20.998 20.503 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.885 -17.988 20.698 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.657 -19.193 21.034 1.00 0.00 H new