USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 949 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 117 ASN :FLIP amide:sc= -0.0685 F(o=-1.7,f=-0.76) USER MOD Set 1.2: A 134 GLN :FLIP amide:sc= -0.696 F(o=-2.2,f=-0.76) USER MOD Set 2.1: A 115 ASN :FLIP amide:sc= -7.56! C(o=-12!,f=-10!) USER MOD Set 2.2: A 131 GLN : amide:sc= -2.4 K(o=-10,f=-24!) USER MOD Set 3.1: A 126 TYR OH : rot 130:sc= -0.608 USER MOD Set 3.2: A 136 MET CE :methyl 170:sc= -2.42 (180deg=-1.48) USER MOD Set 4.1: A 47 HIS :FLIP no HD1:sc= -11.6! C(o=-16!,f=-15!) USER MOD Set 4.2: A 78 ASN : amide:sc= -3.27! C(o=-15!,f=-17!) USER MOD Single : A 22 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.05) USER MOD Single : A 24 HIS : no HD1:sc= -12! C(o=-12!,f=-12!) USER MOD Single : A 27 THR OG1 : rot -169:sc= -2.61 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -171:sc= -11.8! (180deg=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.382 (180deg=-0.737) USER MOD Single : A 49 SER OG : rot -71:sc= 1.07 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 172:sc= -3.35! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -1.86 X(o=-1.9,f=-1.9) USER MOD Single : A 73 ASN : amide:sc= -13.4! C(o=-13!,f=-24!) USER MOD Single : A 76 MET CE :methyl 154:sc= -7.66! (180deg=-10.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -166:sc= 0.546 USER MOD Single : A 96 TYR OH : rot -41:sc= -0.65! USER MOD Single : A 106 SER OG : rot 66:sc= 1.18 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HE2:sc= -0.854 K(o=-0.85,f=-7.2!) USER MOD Single : A 119 ASN : amide:sc= -3.04! C(o=-3!,f=-3.6!) USER MOD Single : A 121 SER OG : rot 56:sc= 0.138 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -158:sc= 0.198 (180deg=-0.845) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 128 SER OG : rot 180:sc= -0.854 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -4.53! C(o=-4.5!,f=-7!) USER MOD Single : A 144 THR OG1 : rot 150:sc= -0.675 USER MOD ----------------------------------------------------------------- ATOM 308 N HIS A 22 -8.880 -0.023 -10.464 1.00 0.00 N ATOM 309 CA HIS A 22 -9.099 -0.575 -9.128 1.00 0.00 C ATOM 310 C HIS A 22 -7.757 -0.724 -8.425 1.00 0.00 C ATOM 311 O HIS A 22 -7.504 -0.116 -7.388 1.00 0.00 O ATOM 312 CB HIS A 22 -9.790 -1.938 -9.214 1.00 0.00 C ATOM 313 CG HIS A 22 -10.815 -2.037 -10.301 1.00 0.00 C ATOM 314 ND1 HIS A 22 -12.173 -2.086 -10.054 1.00 0.00 N ATOM 315 CD2 HIS A 22 -10.677 -2.105 -11.646 1.00 0.00 C ATOM 316 CE1 HIS A 22 -12.822 -2.180 -11.201 1.00 0.00 C ATOM 317 NE2 HIS A 22 -11.939 -2.193 -12.181 1.00 0.00 N ATOM 0 HA HIS A 22 -9.742 0.102 -8.565 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.034 -2.707 -9.371 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.268 -2.152 -8.258 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.748 -2.092 -12.196 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.894 -2.237 -11.317 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.158 -2.258 -13.175 1.00 0.00 H new ATOM 326 N ILE A 23 -6.896 -1.518 -9.045 1.00 0.00 N ATOM 327 CA ILE A 23 -5.540 -1.760 -8.567 1.00 0.00 C ATOM 328 C ILE A 23 -5.385 -1.667 -7.029 1.00 0.00 C ATOM 329 O ILE A 23 -5.964 -2.474 -6.278 1.00 0.00 O ATOM 330 CB ILE A 23 -4.577 -0.781 -9.281 1.00 0.00 C ATOM 331 CG1 ILE A 23 -4.774 -0.858 -10.799 1.00 0.00 C ATOM 332 CG2 ILE A 23 -3.131 -1.067 -8.919 1.00 0.00 C ATOM 333 CD1 ILE A 23 -5.367 0.397 -11.396 1.00 0.00 C ATOM 0 H ILE A 23 -7.121 -2.019 -9.905 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.290 -2.792 -8.812 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.811 0.229 -8.944 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.812 -1.056 -11.272 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.423 -1.702 -11.030 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.480 -0.362 -9.437 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.998 -0.961 -7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.875 -2.084 -9.218 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.478 0.270 -12.473 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.344 0.586 -10.950 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.708 1.242 -11.196 1.00 0.00 H new ATOM 345 N HIS A 24 -4.576 -0.706 -6.562 1.00 0.00 N ATOM 346 CA HIS A 24 -4.309 -0.541 -5.140 1.00 0.00 C ATOM 347 C HIS A 24 -5.338 0.348 -4.451 1.00 0.00 C ATOM 348 O HIS A 24 -5.011 1.031 -3.483 1.00 0.00 O ATOM 349 CB HIS A 24 -2.906 0.034 -4.934 1.00 0.00 C ATOM 350 CG HIS A 24 -1.904 -0.448 -5.941 1.00 0.00 C ATOM 351 ND1 HIS A 24 -1.767 -1.775 -6.293 1.00 0.00 N ATOM 352 CD2 HIS A 24 -0.989 0.229 -6.678 1.00 0.00 C ATOM 353 CE1 HIS A 24 -0.812 -1.893 -7.198 1.00 0.00 C ATOM 354 NE2 HIS A 24 -0.325 -0.693 -7.448 1.00 0.00 N ATOM 0 H HIS A 24 -4.096 -0.031 -7.158 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.377 -1.529 -4.685 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.958 1.122 -4.978 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.559 -0.228 -3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.815 1.295 -6.662 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.485 -2.815 -7.655 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.424 -0.484 -8.107 1.00 0.00 H new ATOM 363 N TRP A 25 -6.573 0.341 -4.940 1.00 0.00 N ATOM 364 CA TRP A 25 -7.627 1.163 -4.344 1.00 0.00 C ATOM 365 C TRP A 25 -8.999 0.523 -4.457 1.00 0.00 C ATOM 366 O TRP A 25 -9.961 1.037 -3.887 1.00 0.00 O ATOM 367 CB TRP A 25 -7.688 2.537 -4.999 1.00 0.00 C ATOM 368 CG TRP A 25 -7.050 2.579 -6.340 1.00 0.00 C ATOM 369 CD1 TRP A 25 -7.672 2.485 -7.543 1.00 0.00 C ATOM 370 CD2 TRP A 25 -5.659 2.728 -6.612 1.00 0.00 C ATOM 371 NE1 TRP A 25 -6.752 2.576 -8.549 1.00 0.00 N ATOM 372 CE2 TRP A 25 -5.505 2.725 -8.006 1.00 0.00 C ATOM 373 CE3 TRP A 25 -4.532 2.867 -5.810 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -4.263 2.858 -8.617 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -3.301 2.998 -6.409 1.00 0.00 C ATOM 376 CH2 TRP A 25 -3.169 2.994 -7.803 1.00 0.00 C ATOM 0 H TRP A 25 -6.870 -0.218 -5.740 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.368 1.257 -3.289 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -8.730 2.842 -5.091 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -7.200 3.263 -4.349 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.735 2.357 -7.684 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.962 2.539 -9.547 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.622 2.872 -4.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.164 2.854 -9.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.420 3.106 -5.793 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.189 3.100 -8.244 1.00 0.00 H new ATOM 387 N ARG A 26 -9.105 -0.580 -5.193 1.00 0.00 N ATOM 388 CA ARG A 26 -10.403 -1.246 -5.358 1.00 0.00 C ATOM 389 C ARG A 26 -11.266 -1.105 -4.101 1.00 0.00 C ATOM 390 O ARG A 26 -12.407 -0.652 -4.165 1.00 0.00 O ATOM 391 CB ARG A 26 -10.191 -2.718 -5.635 1.00 0.00 C ATOM 392 CG ARG A 26 -11.291 -3.412 -6.416 1.00 0.00 C ATOM 393 CD ARG A 26 -12.462 -3.790 -5.529 1.00 0.00 C ATOM 394 NE ARG A 26 -12.178 -4.982 -4.734 1.00 0.00 N ATOM 395 CZ ARG A 26 -12.205 -6.219 -5.224 1.00 0.00 C ATOM 396 NH1 ARG A 26 -12.511 -6.428 -6.500 1.00 0.00 N ATOM 397 NH2 ARG A 26 -11.922 -7.251 -4.441 1.00 0.00 N ATOM 0 H ARG A 26 -8.327 -1.028 -5.678 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.916 -0.770 -6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.255 -2.834 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.069 -3.233 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.638 -2.757 -7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.890 -4.308 -6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.698 -2.958 -4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.343 -3.966 -6.146 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.946 -4.859 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.727 -5.638 -7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.530 -7.378 -6.871 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.683 -7.097 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.943 -8.198 -4.818 1.00 0.00 H new ATOM 411 N THR A 27 -10.696 -1.502 -2.960 1.00 0.00 N ATOM 412 CA THR A 27 -11.391 -1.429 -1.675 1.00 0.00 C ATOM 413 C THR A 27 -10.519 -2.001 -0.559 1.00 0.00 C ATOM 414 O THR A 27 -9.818 -2.995 -0.754 1.00 0.00 O ATOM 415 CB THR A 27 -12.719 -2.189 -1.730 1.00 0.00 C ATOM 416 OG1 THR A 27 -12.677 -3.203 -2.718 1.00 0.00 O ATOM 417 CG2 THR A 27 -13.908 -1.303 -2.030 1.00 0.00 C ATOM 0 H THR A 27 -9.750 -1.879 -2.902 1.00 0.00 H new ATOM 0 HA THR A 27 -11.595 -0.379 -1.465 1.00 0.00 H new ATOM 0 HB THR A 27 -12.848 -2.613 -0.734 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.579 -3.559 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.815 -1.907 -2.054 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.999 -0.542 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.768 -0.821 -2.997 1.00 0.00 H new ATOM 425 N LEU A 28 -10.564 -1.369 0.609 1.00 0.00 N ATOM 426 CA LEU A 28 -9.774 -1.820 1.751 1.00 0.00 C ATOM 427 C LEU A 28 -10.425 -3.019 2.434 1.00 0.00 C ATOM 428 O LEU A 28 -9.758 -4.007 2.740 1.00 0.00 O ATOM 429 CB LEU A 28 -9.590 -0.683 2.758 1.00 0.00 C ATOM 430 CG LEU A 28 -8.533 -0.942 3.832 1.00 0.00 C ATOM 431 CD1 LEU A 28 -7.819 0.347 4.204 1.00 0.00 C ATOM 432 CD2 LEU A 28 -9.167 -1.576 5.061 1.00 0.00 C ATOM 0 H LEU A 28 -11.137 -0.545 0.790 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.797 -2.127 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.322 0.224 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.545 -0.492 3.247 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.796 -1.636 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.071 0.141 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.331 0.760 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.543 1.066 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.400 -1.753 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.926 -0.906 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.630 -2.523 4.784 1.00 0.00 H new ATOM 444 N GLU A 29 -11.729 -2.928 2.674 1.00 0.00 N ATOM 445 CA GLU A 29 -12.462 -4.008 3.325 1.00 0.00 C ATOM 446 C GLU A 29 -12.433 -5.276 2.477 1.00 0.00 C ATOM 447 O GLU A 29 -12.391 -6.387 3.007 1.00 0.00 O ATOM 448 CB GLU A 29 -13.908 -3.589 3.587 1.00 0.00 C ATOM 449 CG GLU A 29 -14.690 -4.596 4.415 1.00 0.00 C ATOM 450 CD GLU A 29 -15.638 -5.431 3.577 1.00 0.00 C ATOM 451 OE1 GLU A 29 -16.768 -4.968 3.319 1.00 0.00 O ATOM 452 OE2 GLU A 29 -15.249 -6.550 3.177 1.00 0.00 O ATOM 0 H GLU A 29 -12.299 -2.119 2.428 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.975 -4.218 4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.912 -2.627 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.414 -3.443 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.993 -5.255 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.258 -4.068 5.181 1.00 0.00 H new ATOM 459 N ASP A 30 -12.455 -5.104 1.160 1.00 0.00 N ATOM 460 CA ASP A 30 -12.434 -6.238 0.242 1.00 0.00 C ATOM 461 C ASP A 30 -11.023 -6.812 0.112 1.00 0.00 C ATOM 462 O ASP A 30 -10.850 -7.983 -0.223 1.00 0.00 O ATOM 463 CB ASP A 30 -12.959 -5.816 -1.133 1.00 0.00 C ATOM 464 CG ASP A 30 -14.235 -6.541 -1.511 1.00 0.00 C ATOM 465 OD1 ASP A 30 -15.325 -6.067 -1.124 1.00 0.00 O ATOM 466 OD2 ASP A 30 -14.147 -7.585 -2.191 1.00 0.00 O ATOM 0 H ASP A 30 -12.487 -4.192 0.704 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.082 -7.014 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.141 -4.741 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.196 -6.012 -1.886 1.00 0.00 H new ATOM 471 N GLY A 31 -10.020 -5.980 0.374 1.00 0.00 N ATOM 472 CA GLY A 31 -8.643 -6.429 0.277 1.00 0.00 C ATOM 473 C GLY A 31 -8.228 -7.305 1.444 1.00 0.00 C ATOM 474 O GLY A 31 -7.582 -8.335 1.256 1.00 0.00 O ATOM 0 H GLY A 31 -10.136 -5.005 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.511 -6.983 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.985 -5.561 0.228 1.00 0.00 H new ATOM 478 N LYS A 32 -8.594 -6.894 2.654 1.00 0.00 N ATOM 479 CA LYS A 32 -8.245 -7.647 3.854 1.00 0.00 C ATOM 480 C LYS A 32 -8.949 -9.001 3.889 1.00 0.00 C ATOM 481 O LYS A 32 -8.344 -10.015 4.240 1.00 0.00 O ATOM 482 CB LYS A 32 -8.600 -6.843 5.107 1.00 0.00 C ATOM 483 CG LYS A 32 -10.050 -6.390 5.153 1.00 0.00 C ATOM 484 CD LYS A 32 -10.887 -7.285 6.052 1.00 0.00 C ATOM 485 CE LYS A 32 -11.903 -6.482 6.853 1.00 0.00 C ATOM 486 NZ LYS A 32 -11.845 -6.802 8.305 1.00 0.00 N ATOM 0 H LYS A 32 -9.131 -6.045 2.830 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.170 -7.825 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.390 -7.449 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.953 -5.967 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.100 -5.363 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.465 -6.395 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.406 -8.028 5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.234 -7.830 6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.719 -5.417 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.905 -6.686 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.552 -6.234 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.046 -7.813 8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.897 -6.583 8.671 1.00 0.00 H new ATOM 500 N LYS A 33 -10.228 -9.012 3.531 1.00 0.00 N ATOM 501 CA LYS A 33 -11.011 -10.246 3.532 1.00 0.00 C ATOM 502 C LYS A 33 -10.488 -11.240 2.498 1.00 0.00 C ATOM 503 O LYS A 33 -10.574 -12.451 2.693 1.00 0.00 O ATOM 504 CB LYS A 33 -12.484 -9.939 3.262 1.00 0.00 C ATOM 505 CG LYS A 33 -12.727 -9.241 1.934 1.00 0.00 C ATOM 506 CD LYS A 33 -13.571 -10.094 0.998 1.00 0.00 C ATOM 507 CE LYS A 33 -15.052 -9.967 1.311 1.00 0.00 C ATOM 508 NZ LYS A 33 -15.879 -9.906 0.075 1.00 0.00 N ATOM 0 H LYS A 33 -10.745 -8.184 3.237 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.913 -10.701 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.050 -10.870 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.870 -9.314 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.227 -8.289 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.771 -9.017 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.389 -9.793 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.268 -11.138 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.369 -10.815 1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.221 -9.069 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.883 -9.820 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.595 -9.082 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.738 -10.774 -0.480 1.00 0.00 H new ATOM 522 N GLU A 34 -9.953 -10.723 1.394 1.00 0.00 N ATOM 523 CA GLU A 34 -9.427 -11.577 0.334 1.00 0.00 C ATOM 524 C GLU A 34 -7.967 -11.944 0.590 1.00 0.00 C ATOM 525 O GLU A 34 -7.513 -13.021 0.202 1.00 0.00 O ATOM 526 CB GLU A 34 -9.559 -10.885 -1.023 1.00 0.00 C ATOM 527 CG GLU A 34 -9.171 -11.772 -2.194 1.00 0.00 C ATOM 528 CD GLU A 34 -10.083 -11.590 -3.391 1.00 0.00 C ATOM 529 OE1 GLU A 34 -9.979 -10.542 -4.063 1.00 0.00 O ATOM 530 OE2 GLU A 34 -10.901 -12.496 -3.657 1.00 0.00 O ATOM 0 H GLU A 34 -9.873 -9.723 1.211 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.014 -12.496 0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.589 -10.553 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.933 -9.993 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.145 -11.552 -2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.196 -12.815 -1.879 1.00 0.00 H new ATOM 537 N ALA A 35 -7.237 -11.047 1.242 1.00 0.00 N ATOM 538 CA ALA A 35 -5.830 -11.284 1.541 1.00 0.00 C ATOM 539 C ALA A 35 -5.659 -12.501 2.442 1.00 0.00 C ATOM 540 O ALA A 35 -4.649 -13.202 2.369 1.00 0.00 O ATOM 541 CB ALA A 35 -5.210 -10.055 2.191 1.00 0.00 C ATOM 0 H ALA A 35 -7.595 -10.151 1.573 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.315 -11.482 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.159 -10.249 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.290 -9.205 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.736 -9.829 3.119 1.00 0.00 H new ATOM 547 N ALA A 36 -6.649 -12.747 3.292 1.00 0.00 N ATOM 548 CA ALA A 36 -6.609 -13.878 4.211 1.00 0.00 C ATOM 549 C ALA A 36 -6.560 -15.204 3.457 1.00 0.00 C ATOM 550 O ALA A 36 -5.728 -16.063 3.747 1.00 0.00 O ATOM 551 CB ALA A 36 -7.812 -13.843 5.140 1.00 0.00 C ATOM 0 H ALA A 36 -7.492 -12.177 3.364 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.699 -13.797 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.770 -14.693 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.801 -12.917 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.728 -13.894 4.551 1.00 0.00 H new ATOM 557 N ALA A 37 -7.459 -15.364 2.491 1.00 0.00 N ATOM 558 CA ALA A 37 -7.520 -16.588 1.699 1.00 0.00 C ATOM 559 C ALA A 37 -6.190 -16.863 1.003 1.00 0.00 C ATOM 560 O ALA A 37 -5.426 -17.731 1.425 1.00 0.00 O ATOM 561 CB ALA A 37 -8.648 -16.501 0.681 1.00 0.00 C ATOM 0 H ALA A 37 -8.155 -14.662 2.238 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.720 -17.419 2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.683 -17.421 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.597 -16.365 1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.474 -15.655 0.016 1.00 0.00 H new ATOM 567 N SER A 38 -5.922 -16.121 -0.066 1.00 0.00 N ATOM 568 CA SER A 38 -4.685 -16.287 -0.823 1.00 0.00 C ATOM 569 C SER A 38 -3.465 -16.039 0.060 1.00 0.00 C ATOM 570 O SER A 38 -2.390 -16.586 -0.183 1.00 0.00 O ATOM 571 CB SER A 38 -4.666 -15.334 -2.020 1.00 0.00 C ATOM 572 OG SER A 38 -4.979 -16.020 -3.221 1.00 0.00 O ATOM 0 H SER A 38 -6.544 -15.399 -0.428 1.00 0.00 H new ATOM 0 HA SER A 38 -4.644 -17.315 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.383 -14.529 -1.860 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.682 -14.873 -2.106 1.00 0.00 H new ATOM 0 HG SER A 38 -4.962 -15.390 -3.971 1.00 0.00 H new ATOM 578 N GLY A 39 -3.637 -15.209 1.085 1.00 0.00 N ATOM 579 CA GLY A 39 -2.540 -14.905 1.984 1.00 0.00 C ATOM 580 C GLY A 39 -1.572 -13.900 1.392 1.00 0.00 C ATOM 581 O GLY A 39 -0.370 -13.962 1.647 1.00 0.00 O ATOM 0 H GLY A 39 -4.516 -14.742 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.938 -14.514 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.005 -15.824 2.224 1.00 0.00 H new ATOM 585 N LEU A 40 -2.098 -12.971 0.600 1.00 0.00 N ATOM 586 CA LEU A 40 -1.267 -11.948 -0.027 1.00 0.00 C ATOM 587 C LEU A 40 -1.290 -10.657 0.786 1.00 0.00 C ATOM 588 O LEU A 40 -2.264 -10.369 1.482 1.00 0.00 O ATOM 589 CB LEU A 40 -1.731 -11.679 -1.462 1.00 0.00 C ATOM 590 CG LEU A 40 -3.216 -11.345 -1.628 1.00 0.00 C ATOM 591 CD1 LEU A 40 -3.546 -10.019 -0.960 1.00 0.00 C ATOM 592 CD2 LEU A 40 -3.589 -11.307 -3.102 1.00 0.00 C ATOM 0 H LEU A 40 -3.091 -12.905 0.378 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.242 -12.318 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.145 -10.853 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.505 -12.556 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.801 -12.126 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.606 -9.800 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.315 -10.080 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.953 -9.225 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.648 -11.068 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.995 -10.546 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.392 -12.280 -3.552 1.00 0.00 H new ATOM 604 N PRO A 41 -0.207 -9.864 0.717 1.00 0.00 N ATOM 605 CA PRO A 41 -0.105 -8.604 1.458 1.00 0.00 C ATOM 606 C PRO A 41 -1.046 -7.520 0.936 1.00 0.00 C ATOM 607 O PRO A 41 -1.596 -7.617 -0.168 1.00 0.00 O ATOM 608 CB PRO A 41 1.353 -8.187 1.264 1.00 0.00 C ATOM 609 CG PRO A 41 1.783 -8.858 0.005 1.00 0.00 C ATOM 610 CD PRO A 41 1.002 -10.140 -0.079 1.00 0.00 C ATOM 0 HA PRO A 41 -0.392 -8.735 2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.446 -7.104 1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.968 -8.500 2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.585 -8.225 -0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.855 -9.056 0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.754 -10.391 -1.110 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.566 -10.980 0.327 1.00 0.00 H new ATOM 618 N LEU A 42 -1.217 -6.482 1.740 1.00 0.00 N ATOM 619 CA LEU A 42 -2.078 -5.373 1.380 1.00 0.00 C ATOM 620 C LEU A 42 -1.262 -4.259 0.741 1.00 0.00 C ATOM 621 O LEU A 42 -0.098 -4.037 1.096 1.00 0.00 O ATOM 622 CB LEU A 42 -2.814 -4.847 2.617 1.00 0.00 C ATOM 623 CG LEU A 42 -4.153 -5.516 2.925 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.046 -5.511 1.700 1.00 0.00 C ATOM 625 CD2 LEU A 42 -3.937 -6.933 3.429 1.00 0.00 C ATOM 0 H LEU A 42 -0.767 -6.387 2.650 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.816 -5.725 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.162 -4.965 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.984 -3.778 2.489 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.650 -4.947 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.995 -5.992 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.229 -4.483 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.558 -6.055 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.901 -7.394 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.418 -7.515 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.337 -6.908 4.338 1.00 0.00 H new ATOM 637 N MET A 43 -1.875 -3.560 -0.203 1.00 0.00 N ATOM 638 CA MET A 43 -1.206 -2.469 -0.889 1.00 0.00 C ATOM 639 C MET A 43 -1.702 -1.129 -0.366 1.00 0.00 C ATOM 640 O MET A 43 -2.703 -0.591 -0.851 1.00 0.00 O ATOM 641 CB MET A 43 -1.425 -2.568 -2.401 1.00 0.00 C ATOM 642 CG MET A 43 -0.591 -1.579 -3.201 1.00 0.00 C ATOM 643 SD MET A 43 1.161 -1.630 -2.780 1.00 0.00 S ATOM 644 CE MET A 43 1.426 -3.392 -2.594 1.00 0.00 C ATOM 0 H MET A 43 -2.833 -3.730 -0.510 1.00 0.00 H new ATOM 0 HA MET A 43 -0.137 -2.543 -0.692 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.188 -3.580 -2.729 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.480 -2.401 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.710 -1.789 -4.264 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.970 -0.571 -3.031 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.418 -3.569 -2.179 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.673 -3.804 -1.922 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.348 -3.876 -3.567 1.00 0.00 H new ATOM 654 N VAL A 44 -0.990 -0.601 0.632 1.00 0.00 N ATOM 655 CA VAL A 44 -1.340 0.675 1.239 1.00 0.00 C ATOM 656 C VAL A 44 -0.811 1.832 0.412 1.00 0.00 C ATOM 657 O VAL A 44 0.391 2.093 0.385 1.00 0.00 O ATOM 658 CB VAL A 44 -0.787 0.797 2.674 1.00 0.00 C ATOM 659 CG1 VAL A 44 -1.095 2.167 3.261 1.00 0.00 C ATOM 660 CG2 VAL A 44 -1.353 -0.302 3.555 1.00 0.00 C ATOM 0 H VAL A 44 -0.164 -1.044 1.035 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.429 0.715 1.276 1.00 0.00 H new ATOM 0 HB VAL A 44 0.296 0.684 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.695 2.228 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.637 2.939 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.174 2.317 3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.953 -0.202 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.440 -0.220 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.073 -1.274 3.149 1.00 0.00 H new ATOM 670 N ILE A 45 -1.715 2.528 -0.250 1.00 0.00 N ATOM 671 CA ILE A 45 -1.346 3.664 -1.070 1.00 0.00 C ATOM 672 C ILE A 45 -2.159 4.885 -0.672 1.00 0.00 C ATOM 673 O ILE A 45 -3.312 5.033 -1.075 1.00 0.00 O ATOM 674 CB ILE A 45 -1.556 3.365 -2.566 1.00 0.00 C ATOM 675 CG1 ILE A 45 -0.899 2.019 -2.923 1.00 0.00 C ATOM 676 CG2 ILE A 45 -1.010 4.508 -3.412 1.00 0.00 C ATOM 677 CD1 ILE A 45 -0.248 1.970 -4.292 1.00 0.00 C ATOM 0 H ILE A 45 -2.714 2.325 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.287 3.864 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.622 3.284 -2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.146 1.788 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.655 1.236 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.164 4.285 -4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.531 5.431 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.056 4.627 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.187 0.984 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.998 2.165 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.535 2.726 -4.350 1.00 0.00 H new ATOM 689 N ILE A 46 -1.560 5.755 0.134 1.00 0.00 N ATOM 690 CA ILE A 46 -2.240 6.953 0.587 1.00 0.00 C ATOM 691 C ILE A 46 -1.698 8.175 -0.127 1.00 0.00 C ATOM 692 O ILE A 46 -0.488 8.321 -0.303 1.00 0.00 O ATOM 693 CB ILE A 46 -2.103 7.144 2.108 1.00 0.00 C ATOM 694 CG1 ILE A 46 -2.296 5.816 2.839 1.00 0.00 C ATOM 695 CG2 ILE A 46 -3.109 8.168 2.607 1.00 0.00 C ATOM 696 CD1 ILE A 46 -1.263 5.571 3.914 1.00 0.00 C ATOM 0 H ILE A 46 -0.608 5.650 0.484 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.297 6.833 0.351 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.098 7.510 2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.289 5.797 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.258 5.002 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.999 8.291 3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.932 9.123 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.119 7.825 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.457 4.612 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.269 5.558 3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.316 6.366 4.658 1.00 0.00 H new ATOM 708 N HIS A 47 -2.598 9.049 -0.553 1.00 0.00 N ATOM 709 CA HIS A 47 -2.197 10.255 -1.269 1.00 0.00 C ATOM 710 C HIS A 47 -2.886 11.489 -0.704 1.00 0.00 C ATOM 711 O HIS A 47 -4.086 11.682 -0.900 1.00 0.00 O ATOM 712 CB HIS A 47 -2.515 10.131 -2.763 1.00 0.00 C ATOM 713 CG HIS A 47 -2.539 8.722 -3.276 1.00 0.00 C ATOM 714 ND1 HIS A 47 -3.190 7.623 -2.824 1.00 0.00 N flip ATOM 715 CD2 HIS A 47 -1.847 8.318 -4.399 1.00 0.00 C flip ATOM 716 CE1 HIS A 47 -2.884 6.591 -3.676 1.00 0.00 C flip ATOM 717 NE2 HIS A 47 -2.073 7.036 -4.617 1.00 0.00 N flip ATOM 0 H HIS A 47 -3.604 8.949 -0.418 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.121 10.367 -1.139 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.484 10.591 -2.955 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.775 10.698 -3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.218 8.952 -5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.248 5.578 -3.590 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.687 6.483 -5.382 1.00 0.00 H new ATOM 726 N LYS A 48 -2.125 12.330 -0.008 1.00 0.00 N ATOM 727 CA LYS A 48 -2.696 13.551 0.570 1.00 0.00 C ATOM 728 C LYS A 48 -2.020 14.806 0.022 1.00 0.00 C ATOM 729 O LYS A 48 -0.941 14.740 -0.566 1.00 0.00 O ATOM 730 CB LYS A 48 -2.604 13.529 2.096 1.00 0.00 C ATOM 731 CG LYS A 48 -3.949 13.701 2.784 1.00 0.00 C ATOM 732 CD LYS A 48 -4.141 12.693 3.906 1.00 0.00 C ATOM 733 CE LYS A 48 -3.161 12.930 5.043 1.00 0.00 C ATOM 734 NZ LYS A 48 -3.719 13.848 6.075 1.00 0.00 N ATOM 0 H LYS A 48 -1.130 12.196 0.169 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.747 13.581 0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.160 12.585 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.932 14.322 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.025 14.711 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.749 13.588 2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.161 12.758 4.284 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.010 11.684 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.904 11.977 5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.237 13.350 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.125 13.813 6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.735 14.819 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.687 13.553 6.315 1.00 0.00 H new ATOM 748 N SER A 49 -2.675 15.952 0.222 1.00 0.00 N ATOM 749 CA SER A 49 -2.154 17.234 -0.246 1.00 0.00 C ATOM 750 C SER A 49 -2.125 17.284 -1.768 1.00 0.00 C ATOM 751 O SER A 49 -2.732 16.447 -2.434 1.00 0.00 O ATOM 752 CB SER A 49 -0.751 17.474 0.316 1.00 0.00 C ATOM 753 OG SER A 49 0.244 16.930 -0.535 1.00 0.00 O ATOM 0 H SER A 49 -3.570 16.016 0.707 1.00 0.00 H new ATOM 0 HA SER A 49 -2.817 18.022 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.584 18.544 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.671 17.025 1.306 1.00 0.00 H new ATOM 0 HG SER A 49 0.220 15.952 -0.483 1.00 0.00 H new ATOM 759 N TRP A 50 -1.408 18.266 -2.318 1.00 0.00 N ATOM 760 CA TRP A 50 -1.298 18.409 -3.766 1.00 0.00 C ATOM 761 C TRP A 50 -0.990 17.060 -4.401 1.00 0.00 C ATOM 762 O TRP A 50 -1.577 16.684 -5.415 1.00 0.00 O ATOM 763 CB TRP A 50 -0.207 19.422 -4.122 1.00 0.00 C ATOM 764 CG TRP A 50 1.100 19.154 -3.441 1.00 0.00 C ATOM 765 CD1 TRP A 50 2.055 18.255 -3.823 1.00 0.00 C ATOM 766 CD2 TRP A 50 1.596 19.788 -2.257 1.00 0.00 C ATOM 767 NE1 TRP A 50 3.114 18.293 -2.950 1.00 0.00 N ATOM 768 CE2 TRP A 50 2.857 19.226 -1.981 1.00 0.00 C ATOM 769 CE3 TRP A 50 1.098 20.778 -1.404 1.00 0.00 C ATOM 770 CZ2 TRP A 50 3.625 19.622 -0.887 1.00 0.00 C ATOM 771 CZ3 TRP A 50 1.861 21.170 -0.320 1.00 0.00 C ATOM 772 CH2 TRP A 50 3.112 20.593 -0.071 1.00 0.00 C ATOM 0 H TRP A 50 -0.898 18.969 -1.783 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.249 18.774 -4.154 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.054 19.415 -5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.549 20.422 -3.855 1.00 0.00 H new ATOM 0 HD1 TRP A 50 1.987 17.609 -4.686 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.955 17.720 -3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.134 21.228 -1.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 4.590 19.178 -0.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.486 21.934 0.345 1.00 0.00 H new ATOM 0 HH2 TRP A 50 3.685 20.922 0.784 1.00 0.00 H new ATOM 783 N CYS A 51 -0.081 16.325 -3.768 1.00 0.00 N ATOM 784 CA CYS A 51 0.299 15.000 -4.234 1.00 0.00 C ATOM 785 C CYS A 51 0.850 15.040 -5.662 1.00 0.00 C ATOM 786 O CYS A 51 0.488 15.908 -6.457 1.00 0.00 O ATOM 787 CB CYS A 51 -0.916 14.067 -4.161 1.00 0.00 C ATOM 788 SG CYS A 51 -0.682 12.445 -4.961 1.00 0.00 S ATOM 0 H CYS A 51 0.408 16.629 -2.926 1.00 0.00 H new ATOM 0 HA CYS A 51 1.092 14.624 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.171 13.907 -3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.768 14.565 -4.624 1.00 0.00 H new ATOM 793 N GLY A 52 1.715 14.081 -5.979 1.00 0.00 N ATOM 794 CA GLY A 52 2.293 14.000 -7.311 1.00 0.00 C ATOM 795 C GLY A 52 2.280 12.583 -7.840 1.00 0.00 C ATOM 796 O GLY A 52 1.929 12.343 -8.993 1.00 0.00 O ATOM 0 H GLY A 52 2.028 13.355 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.737 14.647 -7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.318 14.370 -7.286 1.00 0.00 H new ATOM 800 N ALA A 53 2.647 11.633 -6.982 1.00 0.00 N ATOM 801 CA ALA A 53 2.655 10.228 -7.363 1.00 0.00 C ATOM 802 C ALA A 53 1.304 9.816 -7.912 1.00 0.00 C ATOM 803 O ALA A 53 1.195 8.826 -8.630 1.00 0.00 O ATOM 804 CB ALA A 53 3.044 9.354 -6.179 1.00 0.00 C ATOM 0 H ALA A 53 2.941 11.813 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 53 3.399 10.090 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.044 8.307 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.040 9.632 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.327 9.496 -5.371 1.00 0.00 H new ATOM 810 N CYS A 54 0.281 10.587 -7.587 1.00 0.00 N ATOM 811 CA CYS A 54 -1.048 10.295 -8.068 1.00 0.00 C ATOM 812 C CYS A 54 -1.278 10.947 -9.426 1.00 0.00 C ATOM 813 O CYS A 54 -1.922 10.367 -10.302 1.00 0.00 O ATOM 814 CB CYS A 54 -2.105 10.767 -7.064 1.00 0.00 C ATOM 815 SG CYS A 54 -1.928 12.512 -6.564 1.00 0.00 S ATOM 0 H CYS A 54 0.349 11.415 -6.995 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.140 9.215 -8.180 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.094 10.623 -7.499 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.053 10.138 -6.175 1.00 0.00 H new ATOM 820 N LYS A 55 -0.742 12.153 -9.600 1.00 0.00 N ATOM 821 CA LYS A 55 -0.888 12.869 -10.859 1.00 0.00 C ATOM 822 C LYS A 55 -0.115 12.156 -11.966 1.00 0.00 C ATOM 823 O LYS A 55 -0.644 11.921 -13.052 1.00 0.00 O ATOM 824 CB LYS A 55 -0.424 14.328 -10.712 1.00 0.00 C ATOM 825 CG LYS A 55 1.038 14.566 -11.063 1.00 0.00 C ATOM 826 CD LYS A 55 1.445 16.007 -10.798 1.00 0.00 C ATOM 827 CE LYS A 55 2.926 16.226 -11.061 1.00 0.00 C ATOM 828 NZ LYS A 55 3.482 17.326 -10.226 1.00 0.00 N ATOM 0 H LYS A 55 -0.206 12.650 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.943 12.881 -11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.044 14.959 -11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.594 14.648 -9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.668 13.895 -10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.205 14.326 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.860 16.674 -11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.216 16.267 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.471 15.304 -10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.077 16.459 -12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.494 17.443 -10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.980 18.211 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.361 17.093 -9.220 1.00 0.00 H new ATOM 842 N ALA A 56 1.134 11.792 -11.675 1.00 0.00 N ATOM 843 CA ALA A 56 1.963 11.083 -12.644 1.00 0.00 C ATOM 844 C ALA A 56 1.421 9.683 -12.898 1.00 0.00 C ATOM 845 O ALA A 56 1.812 9.031 -13.859 1.00 0.00 O ATOM 846 CB ALA A 56 3.405 11.017 -12.163 1.00 0.00 C ATOM 0 H ALA A 56 1.590 11.976 -10.781 1.00 0.00 H new ATOM 0 HA ALA A 56 1.936 11.634 -13.584 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.010 10.485 -12.898 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.793 12.028 -12.037 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.447 10.491 -11.209 1.00 0.00 H new ATOM 852 N LEU A 57 0.524 9.225 -12.031 1.00 0.00 N ATOM 853 CA LEU A 57 -0.063 7.899 -12.169 1.00 0.00 C ATOM 854 C LEU A 57 -1.269 7.919 -13.113 1.00 0.00 C ATOM 855 O LEU A 57 -1.615 6.906 -13.711 1.00 0.00 O ATOM 856 CB LEU A 57 -0.478 7.366 -10.791 1.00 0.00 C ATOM 857 CG LEU A 57 0.531 6.436 -10.107 1.00 0.00 C ATOM 858 CD1 LEU A 57 1.960 6.912 -10.342 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.228 6.340 -8.616 1.00 0.00 C ATOM 0 H LEU A 57 0.188 9.753 -11.226 1.00 0.00 H new ATOM 0 HA LEU A 57 0.688 7.238 -12.601 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.665 8.216 -10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.422 6.832 -10.898 1.00 0.00 H new ATOM 0 HG LEU A 57 0.437 5.442 -10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.655 6.235 -9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.168 6.926 -11.412 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.080 7.916 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.950 5.677 -8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.294 7.331 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.777 5.943 -8.474 1.00 0.00 H new ATOM 871 N LYS A 58 -1.918 9.068 -13.240 1.00 0.00 N ATOM 872 CA LYS A 58 -3.087 9.180 -14.109 1.00 0.00 C ATOM 873 C LYS A 58 -2.799 8.659 -15.523 1.00 0.00 C ATOM 874 O LYS A 58 -3.305 7.605 -15.916 1.00 0.00 O ATOM 875 CB LYS A 58 -3.589 10.626 -14.159 1.00 0.00 C ATOM 876 CG LYS A 58 -4.876 10.846 -13.381 1.00 0.00 C ATOM 877 CD LYS A 58 -4.784 12.063 -12.475 1.00 0.00 C ATOM 878 CE LYS A 58 -4.812 13.359 -13.271 1.00 0.00 C ATOM 879 NZ LYS A 58 -3.741 14.299 -12.841 1.00 0.00 N ATOM 0 H LYS A 58 -1.660 9.930 -12.759 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.870 8.554 -13.682 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.816 11.285 -13.762 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.748 10.912 -15.199 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.705 10.972 -14.077 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.095 9.962 -12.782 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.612 12.053 -11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.865 12.014 -11.891 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.695 13.136 -14.331 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.784 13.837 -13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.795 15.169 -13.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.867 14.532 -11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.812 13.853 -12.979 1.00 0.00 H new ATOM 893 N PRO A 59 -1.981 9.381 -16.312 1.00 0.00 N ATOM 894 CA PRO A 59 -1.649 8.976 -17.683 1.00 0.00 C ATOM 895 C PRO A 59 -0.673 7.807 -17.740 1.00 0.00 C ATOM 896 O PRO A 59 -0.599 7.101 -18.745 1.00 0.00 O ATOM 897 CB PRO A 59 -1.002 10.229 -18.266 1.00 0.00 C ATOM 898 CG PRO A 59 -0.389 10.906 -17.090 1.00 0.00 C ATOM 899 CD PRO A 59 -1.313 10.642 -15.934 1.00 0.00 C ATOM 0 HA PRO A 59 -2.530 8.629 -18.224 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.252 9.978 -19.016 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.739 10.867 -18.753 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.608 10.514 -16.890 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.282 11.976 -17.268 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.766 10.542 -14.997 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.030 11.452 -15.799 1.00 0.00 H new ATOM 907 N LYS A 60 0.082 7.613 -16.666 1.00 0.00 N ATOM 908 CA LYS A 60 1.056 6.531 -16.617 1.00 0.00 C ATOM 909 C LYS A 60 0.456 5.278 -15.995 1.00 0.00 C ATOM 910 O LYS A 60 0.382 4.233 -16.638 1.00 0.00 O ATOM 911 CB LYS A 60 2.289 6.973 -15.827 1.00 0.00 C ATOM 912 CG LYS A 60 2.979 5.852 -15.061 1.00 0.00 C ATOM 913 CD LYS A 60 3.942 5.087 -15.951 1.00 0.00 C ATOM 914 CE LYS A 60 5.047 5.994 -16.472 1.00 0.00 C ATOM 915 NZ LYS A 60 5.059 6.057 -17.959 1.00 0.00 N ATOM 0 H LYS A 60 0.039 8.186 -15.823 1.00 0.00 H new ATOM 0 HA LYS A 60 1.350 6.292 -17.639 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.005 7.421 -16.515 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.995 7.751 -15.122 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.519 6.269 -14.211 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.231 5.169 -14.660 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.380 4.260 -15.392 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.399 4.652 -16.790 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.914 6.997 -16.067 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.012 5.632 -16.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.826 6.685 -18.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.211 5.104 -18.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.148 6.427 -18.298 1.00 0.00 H new ATOM 929 N PHE A 61 0.038 5.389 -14.737 1.00 0.00 N ATOM 930 CA PHE A 61 -0.544 4.260 -14.039 1.00 0.00 C ATOM 931 C PHE A 61 -1.725 3.722 -14.817 1.00 0.00 C ATOM 932 O PHE A 61 -2.105 2.566 -14.652 1.00 0.00 O ATOM 933 CB PHE A 61 -0.942 4.643 -12.622 1.00 0.00 C ATOM 934 CG PHE A 61 -0.981 3.470 -11.686 1.00 0.00 C ATOM 935 CD1 PHE A 61 0.169 3.051 -11.036 1.00 0.00 C ATOM 936 CD2 PHE A 61 -2.162 2.782 -11.464 1.00 0.00 C ATOM 937 CE1 PHE A 61 0.142 1.967 -10.181 1.00 0.00 C ATOM 938 CE2 PHE A 61 -2.194 1.694 -10.611 1.00 0.00 C ATOM 939 CZ PHE A 61 -1.042 1.287 -9.969 1.00 0.00 C ATOM 0 H PHE A 61 0.093 6.247 -14.188 1.00 0.00 H new ATOM 0 HA PHE A 61 0.204 3.471 -13.964 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.238 5.382 -12.240 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.923 5.118 -12.642 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.097 3.578 -11.200 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.067 3.098 -11.962 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.045 1.651 -9.679 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.120 1.163 -10.447 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.066 0.438 -9.302 1.00 0.00 H new ATOM 949 N ALA A 62 -2.269 4.538 -15.724 1.00 0.00 N ATOM 950 CA ALA A 62 -3.348 4.078 -16.573 1.00 0.00 C ATOM 951 C ALA A 62 -2.869 2.823 -17.320 1.00 0.00 C ATOM 952 O ALA A 62 -3.663 2.001 -17.775 1.00 0.00 O ATOM 953 CB ALA A 62 -3.760 5.176 -17.540 1.00 0.00 C ATOM 0 H ALA A 62 -1.979 5.503 -15.881 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.225 3.829 -15.975 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.572 4.818 -18.173 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.095 6.048 -16.979 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.909 5.451 -18.163 1.00 0.00 H new ATOM 959 N GLU A 63 -1.536 2.691 -17.389 1.00 0.00 N ATOM 960 CA GLU A 63 -0.864 1.557 -18.015 1.00 0.00 C ATOM 961 C GLU A 63 -0.980 0.322 -17.136 1.00 0.00 C ATOM 962 O GLU A 63 -0.712 -0.797 -17.576 1.00 0.00 O ATOM 963 CB GLU A 63 0.612 1.895 -18.248 1.00 0.00 C ATOM 964 CG GLU A 63 1.233 1.139 -19.414 1.00 0.00 C ATOM 965 CD GLU A 63 2.717 1.410 -19.561 1.00 0.00 C ATOM 966 OE1 GLU A 63 3.075 2.471 -20.115 1.00 0.00 O ATOM 967 OE2 GLU A 63 3.522 0.563 -19.122 1.00 0.00 O ATOM 0 H GLU A 63 -0.891 3.382 -17.005 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.342 1.349 -18.972 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.707 2.966 -18.428 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.175 1.673 -17.341 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.075 0.070 -19.274 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.723 1.419 -20.336 1.00 0.00 H new ATOM 974 N SER A 64 -1.388 0.535 -15.891 1.00 0.00 N ATOM 975 CA SER A 64 -1.555 -0.539 -14.929 1.00 0.00 C ATOM 976 C SER A 64 -2.514 -1.614 -15.432 1.00 0.00 C ATOM 977 O SER A 64 -2.801 -2.566 -14.711 1.00 0.00 O ATOM 978 CB SER A 64 -2.073 0.028 -13.614 1.00 0.00 C ATOM 979 OG SER A 64 -1.054 0.721 -12.916 1.00 0.00 O ATOM 0 H SER A 64 -1.612 1.460 -15.523 1.00 0.00 H new ATOM 0 HA SER A 64 -0.580 -1.005 -14.782 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.906 0.703 -13.810 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.457 -0.781 -12.993 1.00 0.00 H new ATOM 0 HG SER A 64 -1.442 1.181 -12.143 1.00 0.00 H new ATOM 985 N THR A 65 -3.003 -1.481 -16.667 1.00 0.00 N ATOM 986 CA THR A 65 -3.902 -2.483 -17.227 1.00 0.00 C ATOM 987 C THR A 65 -3.325 -3.866 -16.965 1.00 0.00 C ATOM 988 O THR A 65 -4.047 -4.809 -16.640 1.00 0.00 O ATOM 989 CB THR A 65 -4.094 -2.261 -18.729 1.00 0.00 C ATOM 990 OG1 THR A 65 -3.730 -0.941 -19.093 1.00 0.00 O ATOM 991 CG2 THR A 65 -5.516 -2.488 -19.191 1.00 0.00 C ATOM 0 H THR A 65 -2.793 -0.700 -17.288 1.00 0.00 H new ATOM 0 HA THR A 65 -4.878 -2.397 -16.750 1.00 0.00 H new ATOM 0 HB THR A 65 -3.450 -2.996 -19.213 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.859 -0.820 -20.057 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.582 -2.314 -20.265 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.811 -3.514 -18.971 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.182 -1.800 -18.670 1.00 0.00 H new ATOM 999 N GLU A 66 -2.001 -3.958 -17.061 1.00 0.00 N ATOM 1000 CA GLU A 66 -1.301 -5.201 -16.786 1.00 0.00 C ATOM 1001 C GLU A 66 -1.163 -5.367 -15.285 1.00 0.00 C ATOM 1002 O GLU A 66 -1.185 -6.483 -14.768 1.00 0.00 O ATOM 1003 CB GLU A 66 0.074 -5.223 -17.454 1.00 0.00 C ATOM 1004 CG GLU A 66 0.983 -4.100 -16.992 1.00 0.00 C ATOM 1005 CD GLU A 66 1.264 -3.086 -18.084 1.00 0.00 C ATOM 1006 OE1 GLU A 66 1.239 -3.471 -19.272 1.00 0.00 O ATOM 1007 OE2 GLU A 66 1.510 -1.908 -17.750 1.00 0.00 O ATOM 0 H GLU A 66 -1.394 -3.183 -17.328 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.877 -6.030 -17.198 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.555 -6.179 -17.248 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.053 -5.157 -18.535 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.525 -3.594 -16.142 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.925 -4.522 -16.643 1.00 0.00 H new ATOM 1014 N ILE A 67 -1.059 -4.242 -14.581 1.00 0.00 N ATOM 1015 CA ILE A 67 -0.966 -4.281 -13.133 1.00 0.00 C ATOM 1016 C ILE A 67 -2.307 -4.706 -12.545 1.00 0.00 C ATOM 1017 O ILE A 67 -2.394 -5.079 -11.374 1.00 0.00 O ATOM 1018 CB ILE A 67 -0.545 -2.918 -12.550 1.00 0.00 C ATOM 1019 CG1 ILE A 67 0.776 -2.459 -13.168 1.00 0.00 C ATOM 1020 CG2 ILE A 67 -0.423 -2.996 -11.035 1.00 0.00 C ATOM 1021 CD1 ILE A 67 1.211 -1.084 -12.710 1.00 0.00 C ATOM 0 H ILE A 67 -1.038 -3.307 -14.987 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.198 -5.006 -12.865 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.316 -2.188 -12.795 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.555 -3.180 -12.918 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.679 -2.458 -14.254 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.125 -2.023 -10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.384 -3.280 -10.607 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.328 -3.740 -10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.155 -0.823 -13.188 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.451 -0.352 -12.984 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.340 -1.085 -11.628 1.00 0.00 H new ATOM 1033 N SER A 68 -3.353 -4.665 -13.375 1.00 0.00 N ATOM 1034 CA SER A 68 -4.686 -5.061 -12.946 1.00 0.00 C ATOM 1035 C SER A 68 -4.722 -6.561 -12.677 1.00 0.00 C ATOM 1036 O SER A 68 -5.505 -7.038 -11.856 1.00 0.00 O ATOM 1037 CB SER A 68 -5.723 -4.690 -14.008 1.00 0.00 C ATOM 1038 OG SER A 68 -6.726 -3.848 -13.469 1.00 0.00 O ATOM 0 H SER A 68 -3.297 -4.361 -14.347 1.00 0.00 H new ATOM 0 HA SER A 68 -4.929 -4.529 -12.026 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.231 -4.188 -14.841 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.180 -5.596 -14.407 1.00 0.00 H new ATOM 0 HG SER A 68 -7.375 -3.624 -14.168 1.00 0.00 H new ATOM 1044 N GLU A 69 -3.852 -7.299 -13.364 1.00 0.00 N ATOM 1045 CA GLU A 69 -3.772 -8.743 -13.186 1.00 0.00 C ATOM 1046 C GLU A 69 -2.684 -9.085 -12.177 1.00 0.00 C ATOM 1047 O GLU A 69 -2.872 -9.940 -11.313 1.00 0.00 O ATOM 1048 CB GLU A 69 -3.513 -9.464 -14.515 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.654 -8.683 -15.493 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.572 -9.343 -16.855 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -3.486 -9.120 -17.678 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -1.597 -10.083 -17.100 1.00 0.00 O ATOM 0 H GLU A 69 -3.195 -6.920 -14.046 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.734 -9.087 -12.807 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.031 -10.419 -14.308 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.470 -9.686 -14.987 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.060 -7.678 -15.605 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.649 -8.577 -15.084 1.00 0.00 H new ATOM 1059 N LEU A 70 -1.554 -8.389 -12.275 1.00 0.00 N ATOM 1060 CA LEU A 70 -0.445 -8.603 -11.349 1.00 0.00 C ATOM 1061 C LEU A 70 -0.927 -8.466 -9.912 1.00 0.00 C ATOM 1062 O LEU A 70 -0.365 -9.061 -8.994 1.00 0.00 O ATOM 1063 CB LEU A 70 0.660 -7.579 -11.598 1.00 0.00 C ATOM 1064 CG LEU A 70 1.796 -8.043 -12.505 1.00 0.00 C ATOM 1065 CD1 LEU A 70 2.133 -6.954 -13.505 1.00 0.00 C ATOM 1066 CD2 LEU A 70 3.022 -8.412 -11.680 1.00 0.00 C ATOM 0 H LEU A 70 -1.382 -7.675 -12.983 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.055 -9.608 -11.512 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.212 -6.686 -12.034 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.083 -7.286 -10.637 1.00 0.00 H new ATOM 0 HG LEU A 70 1.474 -8.932 -13.048 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.945 -7.291 -14.150 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.255 -6.733 -14.112 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.442 -6.054 -12.973 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.822 -8.741 -12.344 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.355 -7.542 -11.114 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.768 -9.218 -10.991 1.00 0.00 H new ATOM 1078 N SER A 71 -1.973 -7.663 -9.733 1.00 0.00 N ATOM 1079 CA SER A 71 -2.548 -7.406 -8.414 1.00 0.00 C ATOM 1080 C SER A 71 -2.696 -8.676 -7.580 1.00 0.00 C ATOM 1081 O SER A 71 -2.788 -8.606 -6.358 1.00 0.00 O ATOM 1082 CB SER A 71 -3.912 -6.743 -8.554 1.00 0.00 C ATOM 1083 OG SER A 71 -3.873 -5.394 -8.122 1.00 0.00 O ATOM 0 H SER A 71 -2.444 -7.174 -10.494 1.00 0.00 H new ATOM 0 HA SER A 71 -1.855 -6.744 -7.896 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.235 -6.785 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.649 -7.294 -7.969 1.00 0.00 H new ATOM 0 HG SER A 71 -4.761 -4.992 -8.224 1.00 0.00 H new ATOM 1089 N HIS A 72 -2.695 -9.839 -8.225 1.00 0.00 N ATOM 1090 CA HIS A 72 -2.807 -11.100 -7.502 1.00 0.00 C ATOM 1091 C HIS A 72 -1.699 -11.199 -6.458 1.00 0.00 C ATOM 1092 O HIS A 72 -1.750 -12.031 -5.550 1.00 0.00 O ATOM 1093 CB HIS A 72 -2.727 -12.283 -8.470 1.00 0.00 C ATOM 1094 CG HIS A 72 -1.543 -12.230 -9.384 1.00 0.00 C ATOM 1095 ND1 HIS A 72 -1.649 -12.282 -10.758 1.00 0.00 N ATOM 1096 CD2 HIS A 72 -0.221 -12.127 -9.114 1.00 0.00 C ATOM 1097 CE1 HIS A 72 -0.443 -12.217 -11.294 1.00 0.00 C ATOM 1098 NE2 HIS A 72 0.440 -12.121 -10.317 1.00 0.00 N ATOM 0 H HIS A 72 -2.619 -9.934 -9.238 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.774 -11.131 -7.000 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.692 -13.209 -7.896 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.637 -12.314 -9.069 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.230 -12.062 -8.135 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.218 -12.239 -12.350 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.451 -12.053 -10.437 1.00 0.00 H new ATOM 1107 N ASN A 73 -0.703 -10.328 -6.597 1.00 0.00 N ATOM 1108 CA ASN A 73 0.426 -10.280 -5.682 1.00 0.00 C ATOM 1109 C ASN A 73 -0.021 -9.810 -4.296 1.00 0.00 C ATOM 1110 O ASN A 73 0.403 -10.348 -3.274 1.00 0.00 O ATOM 1111 CB ASN A 73 1.501 -9.339 -6.239 1.00 0.00 C ATOM 1112 CG ASN A 73 0.925 -8.068 -6.839 1.00 0.00 C ATOM 1113 OD1 ASN A 73 0.040 -7.442 -6.257 1.00 0.00 O ATOM 1114 ND2 ASN A 73 1.425 -7.677 -8.010 1.00 0.00 N ATOM 0 H ASN A 73 -0.659 -9.638 -7.347 1.00 0.00 H new ATOM 0 HA ASN A 73 0.841 -11.283 -5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.194 -9.075 -5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.077 -9.865 -7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.074 -6.830 -8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.159 -8.225 -8.460 1.00 0.00 H new ATOM 1121 N PHE A 74 -0.883 -8.802 -4.289 1.00 0.00 N ATOM 1122 CA PHE A 74 -1.426 -8.217 -3.070 1.00 0.00 C ATOM 1123 C PHE A 74 -2.832 -7.712 -3.373 1.00 0.00 C ATOM 1124 O PHE A 74 -3.510 -8.292 -4.217 1.00 0.00 O ATOM 1125 CB PHE A 74 -0.517 -7.085 -2.593 1.00 0.00 C ATOM 1126 CG PHE A 74 0.169 -6.372 -3.717 1.00 0.00 C ATOM 1127 CD1 PHE A 74 -0.503 -5.427 -4.468 1.00 0.00 C ATOM 1128 CD2 PHE A 74 1.482 -6.667 -4.029 1.00 0.00 C ATOM 1129 CE1 PHE A 74 0.126 -4.787 -5.518 1.00 0.00 C ATOM 1130 CE2 PHE A 74 2.120 -6.028 -5.073 1.00 0.00 C ATOM 1131 CZ PHE A 74 1.440 -5.088 -5.821 1.00 0.00 C ATOM 0 H PHE A 74 -1.229 -8.362 -5.141 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.476 -8.957 -2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.108 -6.368 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.234 -7.491 -1.915 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.529 -5.187 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.015 -7.406 -3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.409 -4.052 -6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.149 -6.263 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.934 -4.589 -6.641 1.00 0.00 H new ATOM 1141 N VAL A 75 -3.299 -6.646 -2.721 1.00 0.00 N ATOM 1142 CA VAL A 75 -4.642 -6.175 -3.042 1.00 0.00 C ATOM 1143 C VAL A 75 -4.920 -4.700 -2.728 1.00 0.00 C ATOM 1144 O VAL A 75 -4.468 -4.132 -1.733 1.00 0.00 O ATOM 1145 CB VAL A 75 -5.728 -7.051 -2.377 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -5.847 -6.736 -0.897 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -7.072 -6.875 -3.084 1.00 0.00 C ATOM 0 H VAL A 75 -2.798 -6.118 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.688 -6.267 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.429 -8.095 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.618 -7.365 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.893 -6.928 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.116 -5.688 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.822 -7.500 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.379 -5.831 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.974 -7.168 -4.129 1.00 0.00 H new ATOM 1157 N MET A 76 -5.706 -4.135 -3.635 1.00 0.00 N ATOM 1158 CA MET A 76 -6.189 -2.766 -3.647 1.00 0.00 C ATOM 1159 C MET A 76 -6.518 -2.174 -2.269 1.00 0.00 C ATOM 1160 O MET A 76 -7.582 -2.449 -1.708 1.00 0.00 O ATOM 1161 CB MET A 76 -7.483 -2.799 -4.480 1.00 0.00 C ATOM 1162 CG MET A 76 -7.977 -4.229 -4.785 1.00 0.00 C ATOM 1163 SD MET A 76 -7.206 -4.982 -6.244 1.00 0.00 S ATOM 1164 CE MET A 76 -7.967 -4.068 -7.584 1.00 0.00 C ATOM 0 H MET A 76 -6.046 -4.663 -4.439 1.00 0.00 H new ATOM 0 HA MET A 76 -5.398 -2.132 -4.046 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.264 -2.258 -3.946 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.316 -2.272 -5.419 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.784 -4.861 -3.918 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.057 -4.206 -4.929 1.00 0.00 H new ATOM 0 HE1 MET A 76 -7.304 -4.071 -8.449 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.915 -4.535 -7.851 1.00 0.00 H new ATOM 0 HE3 MET A 76 -8.146 -3.040 -7.268 1.00 0.00 H new ATOM 1174 N VAL A 77 -5.619 -1.311 -1.761 1.00 0.00 N ATOM 1175 CA VAL A 77 -5.833 -0.640 -0.479 1.00 0.00 C ATOM 1176 C VAL A 77 -5.229 0.771 -0.466 1.00 0.00 C ATOM 1177 O VAL A 77 -4.231 1.023 0.208 1.00 0.00 O ATOM 1178 CB VAL A 77 -5.253 -1.459 0.693 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.235 -0.652 1.986 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -6.055 -2.727 0.881 1.00 0.00 C ATOM 0 H VAL A 77 -4.742 -1.067 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.912 -0.557 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.222 -1.714 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.820 -1.261 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.620 0.238 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.252 -0.355 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.640 -3.300 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.092 -2.473 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.012 -3.323 -0.030 1.00 0.00 H new ATOM 1190 N ASN A 78 -5.845 1.691 -1.201 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.370 3.069 -1.249 1.00 0.00 C ATOM 1192 C ASN A 78 -6.197 3.951 -0.319 1.00 0.00 C ATOM 1193 O ASN A 78 -7.372 4.219 -0.574 1.00 0.00 O ATOM 1194 CB ASN A 78 -5.420 3.604 -2.686 1.00 0.00 C ATOM 1195 CG ASN A 78 -6.058 4.979 -2.805 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -7.110 5.141 -3.422 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -5.418 5.974 -2.214 1.00 0.00 N ATOM 0 H ASN A 78 -6.672 1.508 -1.770 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.334 3.090 -0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.406 3.648 -3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -5.975 2.901 -3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.794 6.921 -2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.548 5.794 -1.713 1.00 0.00 H new ATOM 1204 N LEU A 79 -5.571 4.395 0.757 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.240 5.249 1.734 1.00 0.00 C ATOM 1206 C LEU A 79 -6.106 6.729 1.351 1.00 0.00 C ATOM 1207 O LEU A 79 -5.182 7.123 0.634 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.664 4.981 3.133 1.00 0.00 C ATOM 1209 CG LEU A 79 -5.795 6.123 4.146 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -7.233 6.242 4.629 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.855 5.901 5.322 1.00 0.00 C ATOM 0 H LEU A 79 -4.599 4.180 0.980 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.304 5.012 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.157 4.100 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.607 4.735 3.028 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.518 7.055 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.309 7.058 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.886 6.444 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.535 5.309 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.961 6.721 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.104 4.961 5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.826 5.862 4.963 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.040 7.547 1.828 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.028 8.975 1.529 1.00 0.00 C ATOM 1225 C GLU A 80 -7.317 9.801 2.780 1.00 0.00 C ATOM 1226 O GLU A 80 -7.376 9.268 3.887 1.00 0.00 O ATOM 1227 CB GLU A 80 -8.057 9.299 0.443 1.00 0.00 C ATOM 1228 CG GLU A 80 -7.584 10.348 -0.550 1.00 0.00 C ATOM 1229 CD GLU A 80 -8.096 10.093 -1.954 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -9.303 10.308 -2.195 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -7.289 9.680 -2.814 1.00 0.00 O ATOM 0 H GLU A 80 -7.813 7.246 2.422 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.032 9.234 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.303 8.385 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.975 9.647 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.916 11.332 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.494 10.366 -0.562 1.00 0.00 H new ATOM 1238 N ASP A 81 -7.492 11.105 2.596 1.00 0.00 N ATOM 1239 CA ASP A 81 -7.773 12.008 3.708 1.00 0.00 C ATOM 1240 C ASP A 81 -9.032 11.583 4.459 1.00 0.00 C ATOM 1241 O ASP A 81 -9.193 11.895 5.638 1.00 0.00 O ATOM 1242 CB ASP A 81 -7.929 13.443 3.200 1.00 0.00 C ATOM 1243 CG ASP A 81 -7.368 14.463 4.172 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -7.795 14.463 5.345 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -6.502 15.262 3.759 1.00 0.00 O ATOM 0 H ASP A 81 -7.444 11.562 1.685 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.931 11.961 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.423 13.543 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.985 13.652 3.027 1.00 0.00 H new ATOM 1250 N GLU A 82 -9.921 10.867 3.775 1.00 0.00 N ATOM 1251 CA GLU A 82 -11.163 10.400 4.385 1.00 0.00 C ATOM 1252 C GLU A 82 -10.894 9.731 5.731 1.00 0.00 C ATOM 1253 O GLU A 82 -11.740 9.748 6.626 1.00 0.00 O ATOM 1254 CB GLU A 82 -11.881 9.424 3.451 1.00 0.00 C ATOM 1255 CG GLU A 82 -13.394 9.556 3.482 1.00 0.00 C ATOM 1256 CD GLU A 82 -13.947 10.217 2.233 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -14.034 9.535 1.189 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -14.294 11.414 2.299 1.00 0.00 O ATOM 0 H GLU A 82 -9.804 10.598 2.798 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.802 11.267 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -11.531 9.586 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.608 8.405 3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.839 8.567 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.687 10.137 4.356 1.00 0.00 H new ATOM 1265 N GLU A 83 -9.709 9.145 5.866 1.00 0.00 N ATOM 1266 CA GLU A 83 -9.321 8.475 7.102 1.00 0.00 C ATOM 1267 C GLU A 83 -7.886 8.828 7.475 1.00 0.00 C ATOM 1268 O GLU A 83 -6.969 8.673 6.668 1.00 0.00 O ATOM 1269 CB GLU A 83 -9.467 6.960 6.954 1.00 0.00 C ATOM 1270 CG GLU A 83 -10.832 6.436 7.372 1.00 0.00 C ATOM 1271 CD GLU A 83 -11.699 6.059 6.188 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -11.510 4.952 5.643 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -12.568 6.872 5.805 1.00 0.00 O ATOM 0 H GLU A 83 -9.000 9.121 5.133 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.982 8.816 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.284 6.686 5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.700 6.469 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.702 5.565 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.343 7.195 7.964 1.00 0.00 H new ATOM 1280 N GLU A 84 -7.698 9.308 8.699 1.00 0.00 N ATOM 1281 CA GLU A 84 -6.374 9.690 9.175 1.00 0.00 C ATOM 1282 C GLU A 84 -5.896 8.750 10.280 1.00 0.00 C ATOM 1283 O GLU A 84 -6.229 8.937 11.450 1.00 0.00 O ATOM 1284 CB GLU A 84 -6.391 11.131 9.687 1.00 0.00 C ATOM 1285 CG GLU A 84 -5.927 12.148 8.657 1.00 0.00 C ATOM 1286 CD GLU A 84 -4.424 12.343 8.667 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -3.712 11.511 8.065 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -3.957 13.327 9.278 1.00 0.00 O ATOM 0 H GLU A 84 -8.446 9.442 9.380 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.680 9.616 8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.403 11.383 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.754 11.202 10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.241 11.824 7.665 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.415 13.103 8.850 1.00 0.00 H new ATOM 1295 N PRO A 85 -5.100 7.723 9.925 1.00 0.00 N ATOM 1296 CA PRO A 85 -4.576 6.759 10.896 1.00 0.00 C ATOM 1297 C PRO A 85 -3.705 7.423 11.961 1.00 0.00 C ATOM 1298 O PRO A 85 -3.436 6.833 13.007 1.00 0.00 O ATOM 1299 CB PRO A 85 -3.735 5.799 10.044 1.00 0.00 C ATOM 1300 CG PRO A 85 -4.225 5.989 8.649 1.00 0.00 C ATOM 1301 CD PRO A 85 -4.649 7.425 8.556 1.00 0.00 C ATOM 0 HA PRO A 85 -5.378 6.266 11.445 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.672 6.029 10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.863 4.767 10.370 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.441 5.765 7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.058 5.321 8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.825 8.071 8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.448 7.564 7.828 1.00 0.00 H new ATOM 1309 N LYS A 86 -3.261 8.649 11.682 1.00 0.00 N ATOM 1310 CA LYS A 86 -2.417 9.398 12.611 1.00 0.00 C ATOM 1311 C LYS A 86 -1.268 8.537 13.134 1.00 0.00 C ATOM 1312 O LYS A 86 -0.888 8.638 14.302 1.00 0.00 O ATOM 1313 CB LYS A 86 -3.250 9.946 13.779 1.00 0.00 C ATOM 1314 CG LYS A 86 -3.677 8.892 14.793 1.00 0.00 C ATOM 1315 CD LYS A 86 -3.643 9.437 16.211 1.00 0.00 C ATOM 1316 CE LYS A 86 -5.027 9.859 16.682 1.00 0.00 C ATOM 1317 NZ LYS A 86 -5.062 10.112 18.149 1.00 0.00 N ATOM 0 H LYS A 86 -3.473 9.145 10.816 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.987 10.238 12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.673 10.715 14.293 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.141 10.430 13.379 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.684 8.547 14.559 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.019 8.027 14.719 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.245 8.678 16.884 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.966 10.290 16.257 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.332 10.761 16.151 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.749 9.082 16.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.022 10.397 18.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.796 9.245 18.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.392 10.871 18.386 1.00 0.00 H new ATOM 1331 N ASP A 87 -0.724 7.693 12.267 1.00 0.00 N ATOM 1332 CA ASP A 87 0.375 6.816 12.650 1.00 0.00 C ATOM 1333 C ASP A 87 1.383 6.657 11.513 1.00 0.00 C ATOM 1334 O ASP A 87 1.320 7.361 10.505 1.00 0.00 O ATOM 1335 CB ASP A 87 -0.163 5.445 13.068 1.00 0.00 C ATOM 1336 CG ASP A 87 0.464 4.947 14.355 1.00 0.00 C ATOM 1337 OD1 ASP A 87 -0.027 5.324 15.440 1.00 0.00 O ATOM 1338 OD2 ASP A 87 1.448 4.179 14.278 1.00 0.00 O ATOM 0 H ASP A 87 -1.024 7.597 11.297 1.00 0.00 H new ATOM 0 HA ASP A 87 0.888 7.274 13.495 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.244 5.504 13.193 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.027 4.725 12.272 1.00 0.00 H new ATOM 1343 N GLU A 88 2.311 5.724 11.692 1.00 0.00 N ATOM 1344 CA GLU A 88 3.345 5.455 10.700 1.00 0.00 C ATOM 1345 C GLU A 88 2.755 4.880 9.408 1.00 0.00 C ATOM 1346 O GLU A 88 3.430 4.824 8.380 1.00 0.00 O ATOM 1347 CB GLU A 88 4.372 4.481 11.276 1.00 0.00 C ATOM 1348 CG GLU A 88 5.538 5.167 11.957 1.00 0.00 C ATOM 1349 CD GLU A 88 5.186 5.684 13.338 1.00 0.00 C ATOM 1350 OE1 GLU A 88 4.714 4.880 14.170 1.00 0.00 O ATOM 1351 OE2 GLU A 88 5.383 6.892 13.588 1.00 0.00 O ATOM 0 H GLU A 88 2.368 5.136 12.524 1.00 0.00 H new ATOM 0 HA GLU A 88 3.827 6.401 10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.877 3.825 11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.751 3.848 10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.370 4.467 12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.878 5.997 11.338 1.00 0.00 H new ATOM 1358 N ASP A 89 1.505 4.437 9.477 1.00 0.00 N ATOM 1359 CA ASP A 89 0.829 3.845 8.325 1.00 0.00 C ATOM 1360 C ASP A 89 0.759 4.795 7.123 1.00 0.00 C ATOM 1361 O ASP A 89 0.457 4.361 6.012 1.00 0.00 O ATOM 1362 CB ASP A 89 -0.583 3.398 8.716 1.00 0.00 C ATOM 1363 CG ASP A 89 -0.958 2.057 8.110 1.00 0.00 C ATOM 1364 OD1 ASP A 89 -1.404 2.038 6.943 1.00 0.00 O ATOM 1365 OD2 ASP A 89 -0.809 1.026 8.803 1.00 0.00 O ATOM 0 H ASP A 89 0.935 4.476 10.322 1.00 0.00 H new ATOM 0 HA ASP A 89 1.422 2.983 8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.653 3.334 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.301 4.152 8.394 1.00 0.00 H new ATOM 1370 N PHE A 90 1.017 6.087 7.333 1.00 0.00 N ATOM 1371 CA PHE A 90 0.950 7.050 6.230 1.00 0.00 C ATOM 1372 C PHE A 90 2.314 7.658 5.895 1.00 0.00 C ATOM 1373 O PHE A 90 2.623 7.883 4.721 1.00 0.00 O ATOM 1374 CB PHE A 90 -0.060 8.157 6.547 1.00 0.00 C ATOM 1375 CG PHE A 90 0.324 9.026 7.714 1.00 0.00 C ATOM 1376 CD1 PHE A 90 1.329 9.972 7.591 1.00 0.00 C ATOM 1377 CD2 PHE A 90 -0.327 8.899 8.931 1.00 0.00 C ATOM 1378 CE1 PHE A 90 1.679 10.775 8.660 1.00 0.00 C ATOM 1379 CE2 PHE A 90 0.020 9.699 10.003 1.00 0.00 C ATOM 1380 CZ PHE A 90 1.024 10.638 9.867 1.00 0.00 C ATOM 0 H PHE A 90 1.269 6.486 8.237 1.00 0.00 H new ATOM 0 HA PHE A 90 0.620 6.499 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.182 8.786 5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.029 7.702 6.751 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.845 10.083 6.649 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.114 8.167 9.043 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.464 11.509 8.551 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.494 9.590 10.947 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.296 11.264 10.704 1.00 0.00 H new ATOM 1390 N SER A 91 3.127 7.924 6.914 1.00 0.00 N ATOM 1391 CA SER A 91 4.450 8.507 6.695 1.00 0.00 C ATOM 1392 C SER A 91 5.378 8.238 7.877 1.00 0.00 C ATOM 1393 O SER A 91 5.502 9.062 8.782 1.00 0.00 O ATOM 1394 CB SER A 91 4.345 10.014 6.447 1.00 0.00 C ATOM 1395 OG SER A 91 3.569 10.286 5.293 1.00 0.00 O ATOM 0 H SER A 91 2.897 7.747 7.892 1.00 0.00 H new ATOM 0 HA SER A 91 4.874 8.032 5.811 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.896 10.498 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.342 10.437 6.327 1.00 0.00 H new ATOM 0 HG SER A 91 3.701 11.219 5.022 1.00 0.00 H new ATOM 1401 N PRO A 92 6.041 7.070 7.882 1.00 0.00 N ATOM 1402 CA PRO A 92 6.957 6.678 8.946 1.00 0.00 C ATOM 1403 C PRO A 92 8.386 7.163 8.707 1.00 0.00 C ATOM 1404 O PRO A 92 9.007 7.746 9.595 1.00 0.00 O ATOM 1405 CB PRO A 92 6.886 5.154 8.890 1.00 0.00 C ATOM 1406 CG PRO A 92 6.636 4.832 7.455 1.00 0.00 C ATOM 1407 CD PRO A 92 5.942 6.029 6.844 1.00 0.00 C ATOM 0 HA PRO A 92 6.685 7.108 9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 92 7.814 4.702 9.240 1.00 0.00 H new ATOM 0 HB3 PRO A 92 6.087 4.772 9.525 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.573 4.625 6.938 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.017 3.940 7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.426 6.341 5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.903 5.806 6.601 1.00 0.00 H new ATOM 1415 N ASP A 93 8.903 6.921 7.506 1.00 0.00 N ATOM 1416 CA ASP A 93 10.257 7.336 7.158 1.00 0.00 C ATOM 1417 C ASP A 93 10.232 8.574 6.270 1.00 0.00 C ATOM 1418 O ASP A 93 10.640 8.529 5.108 1.00 0.00 O ATOM 1419 CB ASP A 93 10.998 6.196 6.457 1.00 0.00 C ATOM 1420 CG ASP A 93 11.839 5.378 7.418 1.00 0.00 C ATOM 1421 OD1 ASP A 93 11.298 4.424 8.015 1.00 0.00 O ATOM 1422 OD2 ASP A 93 13.039 5.692 7.572 1.00 0.00 O ATOM 0 H ASP A 93 8.404 6.440 6.758 1.00 0.00 H new ATOM 0 HA ASP A 93 10.785 7.585 8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.276 5.545 5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.639 6.608 5.677 1.00 0.00 H new ATOM 1427 N GLY A 94 9.749 9.680 6.823 1.00 0.00 N ATOM 1428 CA GLY A 94 9.677 10.917 6.068 1.00 0.00 C ATOM 1429 C GLY A 94 8.620 11.859 6.611 1.00 0.00 C ATOM 1430 O GLY A 94 8.010 11.588 7.644 1.00 0.00 O ATOM 0 H GLY A 94 9.406 9.743 7.781 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.648 11.412 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.458 10.691 5.024 1.00 0.00 H new ATOM 1434 N GLY A 95 8.406 12.969 5.914 1.00 0.00 N ATOM 1435 CA GLY A 95 7.417 13.937 6.350 1.00 0.00 C ATOM 1436 C GLY A 95 6.282 14.105 5.357 1.00 0.00 C ATOM 1437 O GLY A 95 5.212 14.597 5.715 1.00 0.00 O ATOM 0 H GLY A 95 8.899 13.216 5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.009 13.625 7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.902 14.900 6.507 1.00 0.00 H new ATOM 1441 N TYR A 96 6.513 13.702 4.107 1.00 0.00 N ATOM 1442 CA TYR A 96 5.497 13.817 3.060 1.00 0.00 C ATOM 1443 C TYR A 96 4.125 13.393 3.583 1.00 0.00 C ATOM 1444 O TYR A 96 4.025 12.695 4.593 1.00 0.00 O ATOM 1445 CB TYR A 96 5.877 12.990 1.822 1.00 0.00 C ATOM 1446 CG TYR A 96 6.577 11.681 2.124 1.00 0.00 C ATOM 1447 CD1 TYR A 96 7.930 11.647 2.439 1.00 0.00 C ATOM 1448 CD2 TYR A 96 5.885 10.477 2.083 1.00 0.00 C ATOM 1449 CE1 TYR A 96 8.572 10.455 2.708 1.00 0.00 C ATOM 1450 CE2 TYR A 96 6.520 9.278 2.350 1.00 0.00 C ATOM 1451 CZ TYR A 96 7.863 9.274 2.662 1.00 0.00 C ATOM 1452 OH TYR A 96 8.500 8.086 2.936 1.00 0.00 O ATOM 0 H TYR A 96 7.394 13.293 3.795 1.00 0.00 H new ATOM 0 HA TYR A 96 5.446 14.865 2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.973 12.779 1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.523 13.593 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.489 12.570 2.474 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.833 10.478 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.624 10.448 2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.968 8.351 2.314 1.00 0.00 H new ATOM 0 HH TYR A 96 9.385 8.085 2.515 1.00 0.00 H new ATOM 1462 N ILE A 97 3.072 13.840 2.907 1.00 0.00 N ATOM 1463 CA ILE A 97 1.708 13.528 3.326 1.00 0.00 C ATOM 1464 C ILE A 97 0.797 13.204 2.106 1.00 0.00 C ATOM 1465 O ILE A 97 0.070 14.153 1.816 1.00 0.00 O ATOM 1466 CB ILE A 97 1.099 14.716 4.099 1.00 0.00 C ATOM 1467 CG1 ILE A 97 1.578 16.033 3.495 1.00 0.00 C ATOM 1468 CG2 ILE A 97 1.462 14.644 5.573 1.00 0.00 C ATOM 1469 CD1 ILE A 97 0.488 17.068 3.369 1.00 0.00 C ATOM 0 H ILE A 97 3.135 14.418 2.069 1.00 0.00 H new ATOM 0 HA ILE A 97 1.760 12.650 3.970 1.00 0.00 H new ATOM 0 HB ILE A 97 0.013 14.664 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.381 16.436 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.000 15.839 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.022 15.492 6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.079 13.716 5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.546 14.673 5.683 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.899 17.978 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.306 16.684 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.082 17.290 4.356 1.00 0.00 H new ATOM 1481 N PRO A 98 0.184 11.987 2.189 1.00 0.00 N ATOM 1482 CA PRO A 98 0.604 10.577 2.482 1.00 0.00 C ATOM 1483 C PRO A 98 1.145 9.918 1.224 1.00 0.00 C ATOM 1484 O PRO A 98 0.843 10.366 0.112 1.00 0.00 O ATOM 1485 CB PRO A 98 -0.668 9.883 2.931 1.00 0.00 C ATOM 1486 CG PRO A 98 -1.124 10.875 3.865 1.00 0.00 C ATOM 1487 CD PRO A 98 -0.041 11.898 3.707 1.00 0.00 C ATOM 0 HA PRO A 98 1.392 10.527 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.370 9.714 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -0.482 8.915 3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.108 11.267 3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.189 10.491 4.883 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.341 12.861 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.869 11.597 4.226 1.00 0.00 H new ATOM 1495 N ARG A 99 1.962 8.879 1.408 1.00 0.00 N ATOM 1496 CA ARG A 99 2.587 8.170 0.296 1.00 0.00 C ATOM 1497 C ARG A 99 2.208 6.688 0.271 1.00 0.00 C ATOM 1498 O ARG A 99 1.304 6.250 0.984 1.00 0.00 O ATOM 1499 CB ARG A 99 4.103 8.311 0.399 1.00 0.00 C ATOM 1500 CG ARG A 99 4.698 9.277 -0.608 1.00 0.00 C ATOM 1501 CD ARG A 99 4.063 10.655 -0.521 1.00 0.00 C ATOM 1502 NE ARG A 99 3.695 11.171 -1.838 1.00 0.00 N ATOM 1503 CZ ARG A 99 3.406 12.447 -2.079 1.00 0.00 C ATOM 1504 NH1 ARG A 99 3.431 13.337 -1.096 1.00 0.00 N ATOM 1505 NH2 ARG A 99 3.088 12.834 -3.307 1.00 0.00 N ATOM 0 H ARG A 99 2.206 8.509 2.327 1.00 0.00 H new ATOM 0 HA ARG A 99 2.225 8.615 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.360 8.645 1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.560 7.331 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.771 9.361 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.564 8.879 -1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.176 10.606 0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.758 11.345 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 99 3.658 10.515 -2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.673 13.044 -0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.209 14.314 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.065 12.153 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.866 13.812 -3.492 1.00 0.00 H new ATOM 1519 N ILE A 100 2.913 5.928 -0.566 1.00 0.00 N ATOM 1520 CA ILE A 100 2.669 4.492 -0.708 1.00 0.00 C ATOM 1521 C ILE A 100 3.522 3.687 0.264 1.00 0.00 C ATOM 1522 O ILE A 100 4.559 4.158 0.728 1.00 0.00 O ATOM 1523 CB ILE A 100 2.982 4.011 -2.137 1.00 0.00 C ATOM 1524 CG1 ILE A 100 2.298 4.905 -3.170 1.00 0.00 C ATOM 1525 CG2 ILE A 100 2.554 2.561 -2.310 1.00 0.00 C ATOM 1526 CD1 ILE A 100 3.224 5.919 -3.799 1.00 0.00 C ATOM 0 H ILE A 100 3.662 6.285 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 100 1.613 4.333 -0.489 1.00 0.00 H new ATOM 0 HB ILE A 100 4.058 4.075 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.871 4.279 -3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.469 5.429 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.781 2.233 -3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.092 1.935 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.482 2.474 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.670 6.518 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.631 6.569 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.040 5.402 -4.305 1.00 0.00 H new ATOM 1538 N LEU A 101 3.085 2.463 0.561 1.00 0.00 N ATOM 1539 CA LEU A 101 3.824 1.601 1.474 1.00 0.00 C ATOM 1540 C LEU A 101 3.206 0.207 1.568 1.00 0.00 C ATOM 1541 O LEU A 101 2.003 0.029 1.377 1.00 0.00 O ATOM 1542 CB LEU A 101 3.900 2.245 2.858 1.00 0.00 C ATOM 1543 CG LEU A 101 2.663 3.043 3.281 1.00 0.00 C ATOM 1544 CD1 LEU A 101 2.192 2.607 4.655 1.00 0.00 C ATOM 1545 CD2 LEU A 101 2.963 4.534 3.282 1.00 0.00 C ATOM 0 H LEU A 101 2.231 2.052 0.185 1.00 0.00 H new ATOM 0 HA LEU A 101 4.832 1.483 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.075 1.462 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.765 2.907 2.885 1.00 0.00 H new ATOM 0 HG LEU A 101 1.869 2.847 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.312 3.185 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.938 1.547 4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.986 2.775 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.072 5.084 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.773 4.742 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.259 4.846 2.281 1.00 0.00 H new ATOM 1557 N PHE A 102 4.057 -0.777 1.855 1.00 0.00 N ATOM 1558 CA PHE A 102 3.634 -2.171 1.971 1.00 0.00 C ATOM 1559 C PHE A 102 3.342 -2.543 3.424 1.00 0.00 C ATOM 1560 O PHE A 102 4.068 -2.133 4.333 1.00 0.00 O ATOM 1561 CB PHE A 102 4.746 -3.075 1.438 1.00 0.00 C ATOM 1562 CG PHE A 102 4.329 -3.979 0.317 1.00 0.00 C ATOM 1563 CD1 PHE A 102 3.186 -4.752 0.418 1.00 0.00 C ATOM 1564 CD2 PHE A 102 5.096 -4.063 -0.833 1.00 0.00 C ATOM 1565 CE1 PHE A 102 2.813 -5.593 -0.613 1.00 0.00 C ATOM 1566 CE2 PHE A 102 4.731 -4.903 -1.863 1.00 0.00 C ATOM 1567 CZ PHE A 102 3.589 -5.668 -1.754 1.00 0.00 C ATOM 0 H PHE A 102 5.054 -0.631 2.013 1.00 0.00 H new ATOM 0 HA PHE A 102 2.720 -2.303 1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 102 5.572 -2.451 1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.125 -3.685 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.580 -4.698 1.310 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.990 -3.464 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.917 -6.190 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.338 -4.962 -2.754 1.00 0.00 H new ATOM 0 HZ PHE A 102 3.301 -6.326 -2.561 1.00 0.00 H new ATOM 1577 N LEU A 103 2.292 -3.335 3.649 1.00 0.00 N ATOM 1578 CA LEU A 103 1.960 -3.757 5.008 1.00 0.00 C ATOM 1579 C LEU A 103 1.591 -5.237 5.054 1.00 0.00 C ATOM 1580 O LEU A 103 1.191 -5.820 4.047 1.00 0.00 O ATOM 1581 CB LEU A 103 0.823 -2.909 5.579 1.00 0.00 C ATOM 1582 CG LEU A 103 -0.565 -3.271 5.083 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -1.613 -2.376 5.714 1.00 0.00 C ATOM 1584 CD2 LEU A 103 -0.607 -3.180 3.571 1.00 0.00 C ATOM 0 H LEU A 103 1.669 -3.690 2.923 1.00 0.00 H new ATOM 0 HA LEU A 103 2.847 -3.609 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.837 -2.995 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.016 -1.863 5.340 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.790 -4.296 5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.600 -2.654 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.586 -2.492 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.408 -1.337 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.605 -3.441 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.367 -2.163 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.120 -3.871 3.145 1.00 0.00 H new ATOM 1596 N ASP A 104 1.739 -5.839 6.232 1.00 0.00 N ATOM 1597 CA ASP A 104 1.430 -7.254 6.417 1.00 0.00 C ATOM 1598 C ASP A 104 -0.061 -7.525 6.221 1.00 0.00 C ATOM 1599 O ASP A 104 -0.906 -6.731 6.652 1.00 0.00 O ATOM 1600 CB ASP A 104 1.867 -7.713 7.810 1.00 0.00 C ATOM 1601 CG ASP A 104 3.157 -8.512 7.776 1.00 0.00 C ATOM 1602 OD1 ASP A 104 3.190 -9.555 7.089 1.00 0.00 O ATOM 1603 OD2 ASP A 104 4.131 -8.093 8.433 1.00 0.00 O ATOM 0 H ASP A 104 2.071 -5.368 7.073 1.00 0.00 H new ATOM 0 HA ASP A 104 1.980 -7.819 5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.999 -6.842 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.078 -8.320 8.254 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.402 -8.659 5.571 1.00 0.00 N ATOM 1609 CA PRO A 105 -1.793 -9.049 5.314 1.00 0.00 C ATOM 1610 C PRO A 105 -2.637 -9.054 6.581 1.00 0.00 C ATOM 1611 O PRO A 105 -2.733 -10.067 7.274 1.00 0.00 O ATOM 1612 CB PRO A 105 -1.689 -10.469 4.734 1.00 0.00 C ATOM 1613 CG PRO A 105 -0.283 -10.905 4.976 1.00 0.00 C ATOM 1614 CD PRO A 105 0.542 -9.651 5.035 1.00 0.00 C ATOM 0 HA PRO A 105 -2.284 -8.345 4.643 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.396 -11.142 5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.922 -10.475 3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.205 -11.466 5.907 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.064 -11.561 4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.412 -9.770 5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.912 -9.365 4.051 1.00 0.00 H new ATOM 1622 N SER A 106 -3.246 -7.910 6.872 1.00 0.00 N ATOM 1623 CA SER A 106 -4.091 -7.750 8.053 1.00 0.00 C ATOM 1624 C SER A 106 -4.330 -6.271 8.330 1.00 0.00 C ATOM 1625 O SER A 106 -5.357 -5.890 8.892 1.00 0.00 O ATOM 1626 CB SER A 106 -3.448 -8.409 9.279 1.00 0.00 C ATOM 1627 OG SER A 106 -3.959 -9.715 9.480 1.00 0.00 O ATOM 0 H SER A 106 -3.169 -7.069 6.299 1.00 0.00 H new ATOM 0 HA SER A 106 -5.045 -8.239 7.857 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.367 -8.454 9.147 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.636 -7.801 10.164 1.00 0.00 H new ATOM 0 HG SER A 106 -3.685 -10.292 8.737 1.00 0.00 H new ATOM 1633 N GLY A 107 -3.368 -5.443 7.932 1.00 0.00 N ATOM 1634 CA GLY A 107 -3.480 -4.015 8.145 1.00 0.00 C ATOM 1635 C GLY A 107 -2.411 -3.500 9.086 1.00 0.00 C ATOM 1636 O GLY A 107 -2.686 -2.663 9.945 1.00 0.00 O ATOM 0 H GLY A 107 -2.511 -5.739 7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.402 -3.498 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.464 -3.785 8.553 1.00 0.00 H new ATOM 1640 N LYS A 108 -1.189 -4.014 8.944 1.00 0.00 N ATOM 1641 CA LYS A 108 -0.093 -3.599 9.818 1.00 0.00 C ATOM 1642 C LYS A 108 1.109 -3.073 9.035 1.00 0.00 C ATOM 1643 O LYS A 108 2.108 -3.773 8.872 1.00 0.00 O ATOM 1644 CB LYS A 108 0.340 -4.767 10.704 1.00 0.00 C ATOM 1645 CG LYS A 108 -0.470 -4.890 11.984 1.00 0.00 C ATOM 1646 CD LYS A 108 0.427 -4.952 13.212 1.00 0.00 C ATOM 1647 CE LYS A 108 0.001 -6.061 14.159 1.00 0.00 C ATOM 1648 NZ LYS A 108 0.784 -7.309 13.938 1.00 0.00 N ATOM 0 H LYS A 108 -0.936 -4.709 8.242 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.465 -2.781 10.435 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.253 -5.694 10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.393 -4.648 10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.147 -4.040 12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.088 -5.786 11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.459 -5.114 12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.397 -3.995 13.734 1.00 0.00 H new ATOM 0 HE2 LYS A 108 0.130 -5.729 15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.060 -6.269 14.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.464 -8.042 14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.641 -7.640 12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.794 -7.117 14.094 1.00 0.00 H new ATOM 1662 N VAL A 109 1.018 -1.827 8.569 1.00 0.00 N ATOM 1663 CA VAL A 109 2.098 -1.200 7.825 1.00 0.00 C ATOM 1664 C VAL A 109 3.426 -1.334 8.554 1.00 0.00 C ATOM 1665 O VAL A 109 3.520 -1.105 9.760 1.00 0.00 O ATOM 1666 CB VAL A 109 1.790 0.289 7.577 1.00 0.00 C ATOM 1667 CG1 VAL A 109 3.066 1.086 7.397 1.00 0.00 C ATOM 1668 CG2 VAL A 109 0.876 0.454 6.373 1.00 0.00 C ATOM 0 H VAL A 109 0.199 -1.233 8.698 1.00 0.00 H new ATOM 0 HA VAL A 109 2.178 -1.715 6.868 1.00 0.00 H new ATOM 0 HB VAL A 109 1.274 0.678 8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.819 2.133 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.678 1.001 8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.620 0.697 6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.670 1.513 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.362 0.042 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.060 -0.075 6.552 1.00 0.00 H new ATOM 1678 N HIS A 110 4.449 -1.691 7.794 1.00 0.00 N ATOM 1679 CA HIS A 110 5.788 -1.844 8.329 1.00 0.00 C ATOM 1680 C HIS A 110 6.792 -1.230 7.366 1.00 0.00 C ATOM 1681 O HIS A 110 6.675 -1.401 6.153 1.00 0.00 O ATOM 1682 CB HIS A 110 6.109 -3.323 8.555 1.00 0.00 C ATOM 1683 CG HIS A 110 5.691 -4.207 7.420 1.00 0.00 C ATOM 1684 ND1 HIS A 110 5.955 -3.912 6.099 1.00 0.00 N ATOM 1685 CD2 HIS A 110 5.022 -5.384 7.414 1.00 0.00 C ATOM 1686 CE1 HIS A 110 5.468 -4.868 5.330 1.00 0.00 C ATOM 1687 NE2 HIS A 110 4.896 -5.774 6.104 1.00 0.00 N ATOM 0 H HIS A 110 4.373 -1.881 6.795 1.00 0.00 H new ATOM 0 HA HIS A 110 5.848 -1.331 9.289 1.00 0.00 H new ATOM 0 HB2 HIS A 110 7.182 -3.433 8.715 1.00 0.00 H new ATOM 0 HB3 HIS A 110 5.615 -3.658 9.467 1.00 0.00 H new ATOM 0 HD1 HIS A 110 6.450 -3.084 5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 110 4.656 -5.917 8.279 1.00 0.00 H new ATOM 0 HE1 HIS A 110 5.527 -4.904 4.252 1.00 0.00 H new ATOM 1696 N PRO A 111 7.794 -0.503 7.879 1.00 0.00 N ATOM 1697 CA PRO A 111 8.810 0.132 7.036 1.00 0.00 C ATOM 1698 C PRO A 111 9.731 -0.889 6.370 1.00 0.00 C ATOM 1699 O PRO A 111 10.930 -0.653 6.225 1.00 0.00 O ATOM 1700 CB PRO A 111 9.597 1.004 8.017 1.00 0.00 C ATOM 1701 CG PRO A 111 9.392 0.363 9.346 1.00 0.00 C ATOM 1702 CD PRO A 111 8.016 -0.238 9.312 1.00 0.00 C ATOM 0 HA PRO A 111 8.364 0.692 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.654 1.040 7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 111 9.233 2.031 8.013 1.00 0.00 H new ATOM 0 HG2 PRO A 111 10.147 -0.402 9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.478 1.095 10.149 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.962 -1.152 9.903 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.269 0.446 9.715 1.00 0.00 H new ATOM 1710 N GLU A 112 9.160 -2.020 5.960 1.00 0.00 N ATOM 1711 CA GLU A 112 9.937 -3.068 5.304 1.00 0.00 C ATOM 1712 C GLU A 112 10.068 -2.774 3.813 1.00 0.00 C ATOM 1713 O GLU A 112 11.072 -2.216 3.370 1.00 0.00 O ATOM 1714 CB GLU A 112 9.283 -4.434 5.526 1.00 0.00 C ATOM 1715 CG GLU A 112 9.757 -5.139 6.789 1.00 0.00 C ATOM 1716 CD GLU A 112 9.700 -4.248 8.016 1.00 0.00 C ATOM 1717 OE1 GLU A 112 10.331 -3.170 7.997 1.00 0.00 O ATOM 1718 OE2 GLU A 112 9.030 -4.633 8.996 1.00 0.00 O ATOM 0 H GLU A 112 8.169 -2.233 6.070 1.00 0.00 H new ATOM 0 HA GLU A 112 10.935 -3.089 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.202 -4.306 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.489 -5.070 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.142 -6.023 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.780 -5.485 6.644 1.00 0.00 H new ATOM 1725 N ILE A 113 9.044 -3.130 3.043 1.00 0.00 N ATOM 1726 CA ILE A 113 9.052 -2.874 1.610 1.00 0.00 C ATOM 1727 C ILE A 113 8.571 -1.455 1.339 1.00 0.00 C ATOM 1728 O ILE A 113 7.367 -1.191 1.278 1.00 0.00 O ATOM 1729 CB ILE A 113 8.167 -3.874 0.840 1.00 0.00 C ATOM 1730 CG1 ILE A 113 8.417 -5.301 1.337 1.00 0.00 C ATOM 1731 CG2 ILE A 113 8.433 -3.774 -0.655 1.00 0.00 C ATOM 1732 CD1 ILE A 113 7.263 -5.871 2.133 1.00 0.00 C ATOM 0 H ILE A 113 8.203 -3.594 3.387 1.00 0.00 H new ATOM 0 HA ILE A 113 10.077 -2.997 1.259 1.00 0.00 H new ATOM 0 HB ILE A 113 7.121 -3.625 1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.612 -5.947 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.315 -5.311 1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.801 -4.486 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.209 -2.764 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.480 -4.000 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.507 -6.884 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.081 -5.247 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.368 -5.893 1.511 1.00 0.00 H new ATOM 1744 N ILE A 114 9.522 -0.537 1.205 1.00 0.00 N ATOM 1745 CA ILE A 114 9.206 0.863 0.973 1.00 0.00 C ATOM 1746 C ILE A 114 9.084 1.190 -0.517 1.00 0.00 C ATOM 1747 O ILE A 114 8.094 1.781 -0.949 1.00 0.00 O ATOM 1748 CB ILE A 114 10.269 1.789 1.604 1.00 0.00 C ATOM 1749 CG1 ILE A 114 11.694 1.309 1.269 1.00 0.00 C ATOM 1750 CG2 ILE A 114 10.070 1.895 3.110 1.00 0.00 C ATOM 1751 CD1 ILE A 114 12.306 0.378 2.300 1.00 0.00 C ATOM 0 H ILE A 114 10.520 -0.741 1.254 1.00 0.00 H new ATOM 0 HA ILE A 114 8.240 1.038 1.447 1.00 0.00 H new ATOM 0 HB ILE A 114 10.144 2.783 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.675 0.800 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 114 12.340 2.180 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.830 2.552 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.081 2.303 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.156 0.905 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.308 0.091 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.362 0.887 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.687 -0.514 2.397 1.00 0.00 H new ATOM 1763 N ASN A 115 10.098 0.808 -1.290 1.00 0.00 N ATOM 1764 CA ASN A 115 10.129 1.060 -2.731 1.00 0.00 C ATOM 1765 C ASN A 115 11.536 0.804 -3.263 1.00 0.00 C ATOM 1766 O ASN A 115 11.713 0.216 -4.330 1.00 0.00 O ATOM 1767 CB ASN A 115 9.696 2.504 -3.050 1.00 0.00 C ATOM 1768 CG ASN A 115 9.902 2.876 -4.512 1.00 0.00 C ATOM 1769 OD1 ASN A 115 9.432 4.058 -4.902 1.00 0.00 O flip ATOM 1770 ND2 ASN A 115 10.473 2.109 -5.287 1.00 0.00 N flip ATOM 0 H ASN A 115 10.919 0.317 -0.938 1.00 0.00 H new ATOM 0 HA ASN A 115 9.426 0.383 -3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.644 2.627 -2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 115 10.260 3.194 -2.422 1.00 0.00 H new ATOM 0 HD21 ASN A 115 10.820 1.210 -4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 115 10.599 2.372 -6.264 1.00 0.00 H new ATOM 1777 N GLU A 116 12.532 1.247 -2.499 1.00 0.00 N ATOM 1778 CA GLU A 116 13.934 1.075 -2.870 1.00 0.00 C ATOM 1779 C GLU A 116 14.289 1.912 -4.097 1.00 0.00 C ATOM 1780 O GLU A 116 15.106 2.828 -4.018 1.00 0.00 O ATOM 1781 CB GLU A 116 14.243 -0.403 -3.130 1.00 0.00 C ATOM 1782 CG GLU A 116 14.893 -1.101 -1.947 1.00 0.00 C ATOM 1783 CD GLU A 116 16.329 -0.665 -1.730 1.00 0.00 C ATOM 1784 OE1 GLU A 116 16.540 0.420 -1.150 1.00 0.00 O ATOM 1785 OE2 GLU A 116 17.243 -1.412 -2.139 1.00 0.00 O ATOM 0 H GLU A 116 12.392 1.731 -1.612 1.00 0.00 H new ATOM 0 HA GLU A 116 14.544 1.422 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.318 -0.921 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.901 -0.482 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.315 -0.896 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.864 -2.179 -2.105 1.00 0.00 H new ATOM 1792 N ASN A 117 13.671 1.591 -5.228 1.00 0.00 N ATOM 1793 CA ASN A 117 13.923 2.314 -6.471 1.00 0.00 C ATOM 1794 C ASN A 117 13.541 3.789 -6.344 1.00 0.00 C ATOM 1795 O ASN A 117 13.953 4.614 -7.160 1.00 0.00 O ATOM 1796 CB ASN A 117 13.149 1.669 -7.623 1.00 0.00 C ATOM 1797 CG ASN A 117 14.056 1.242 -8.762 1.00 0.00 C ATOM 1798 OD1 ASN A 117 14.749 0.124 -8.578 1.00 0.00 O flip ATOM 1799 ND2 ASN A 117 14.132 1.907 -9.794 1.00 0.00 N flip ATOM 0 H ASN A 117 12.992 0.835 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 117 14.991 2.259 -6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.605 0.801 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.407 2.374 -7.998 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.581 2.760 -9.893 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.746 1.606 -10.551 1.00 0.00 H new ATOM 1806 N GLY A 118 12.749 4.116 -5.324 1.00 0.00 N ATOM 1807 CA GLY A 118 12.330 5.492 -5.125 1.00 0.00 C ATOM 1808 C GLY A 118 13.501 6.449 -4.996 1.00 0.00 C ATOM 1809 O GLY A 118 14.152 6.781 -5.986 1.00 0.00 O ATOM 0 H GLY A 118 12.392 3.454 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 118 11.704 5.801 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.715 5.554 -4.227 1.00 0.00 H new ATOM 1813 N ASN A 119 13.766 6.895 -3.773 1.00 0.00 N ATOM 1814 CA ASN A 119 14.862 7.823 -3.516 1.00 0.00 C ATOM 1815 C ASN A 119 15.487 7.556 -2.149 1.00 0.00 C ATOM 1816 O ASN A 119 14.867 6.927 -1.292 1.00 0.00 O ATOM 1817 CB ASN A 119 14.359 9.267 -3.589 1.00 0.00 C ATOM 1818 CG ASN A 119 15.333 10.185 -4.298 1.00 0.00 C ATOM 1819 OD1 ASN A 119 15.863 9.851 -5.358 1.00 0.00 O ATOM 1820 ND2 ASN A 119 15.577 11.352 -3.713 1.00 0.00 N ATOM 0 H ASN A 119 13.236 6.629 -2.943 1.00 0.00 H new ATOM 0 HA ASN A 119 15.625 7.673 -4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.401 9.289 -4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 119 14.183 9.639 -2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 119 16.226 12.012 -4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.116 11.588 -2.835 1.00 0.00 H new ATOM 1827 N PRO A 120 16.727 8.031 -1.923 1.00 0.00 N ATOM 1828 CA PRO A 120 17.436 7.841 -0.655 1.00 0.00 C ATOM 1829 C PRO A 120 16.989 8.823 0.429 1.00 0.00 C ATOM 1830 O PRO A 120 17.766 9.179 1.313 1.00 0.00 O ATOM 1831 CB PRO A 120 18.911 8.090 -1.020 1.00 0.00 C ATOM 1832 CG PRO A 120 18.938 8.380 -2.489 1.00 0.00 C ATOM 1833 CD PRO A 120 17.543 8.782 -2.875 1.00 0.00 C ATOM 0 HA PRO A 120 17.244 6.852 -0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.316 8.927 -0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.522 7.219 -0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.647 9.177 -2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.257 7.502 -3.051 1.00 0.00 H new ATOM 0 HD2 PRO A 120 17.389 9.857 -2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.314 8.515 -3.907 1.00 0.00 H new ATOM 1841 N SER A 121 15.733 9.253 0.357 1.00 0.00 N ATOM 1842 CA SER A 121 15.184 10.187 1.331 1.00 0.00 C ATOM 1843 C SER A 121 13.687 10.334 1.110 1.00 0.00 C ATOM 1844 O SER A 121 13.121 11.414 1.272 1.00 0.00 O ATOM 1845 CB SER A 121 15.870 11.550 1.212 1.00 0.00 C ATOM 1846 OG SER A 121 16.728 11.787 2.314 1.00 0.00 O ATOM 0 H SER A 121 15.075 8.968 -0.369 1.00 0.00 H new ATOM 0 HA SER A 121 15.363 9.798 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 121 16.443 11.593 0.286 1.00 0.00 H new ATOM 0 HB3 SER A 121 15.117 12.336 1.158 1.00 0.00 H new ATOM 0 HG SER A 121 17.376 11.055 2.388 1.00 0.00 H new ATOM 1852 N TYR A 122 13.057 9.235 0.716 1.00 0.00 N ATOM 1853 CA TYR A 122 11.632 9.231 0.446 1.00 0.00 C ATOM 1854 C TYR A 122 11.075 7.813 0.507 1.00 0.00 C ATOM 1855 O TYR A 122 10.095 7.545 1.199 1.00 0.00 O ATOM 1856 CB TYR A 122 11.378 9.845 -0.932 1.00 0.00 C ATOM 1857 CG TYR A 122 10.711 11.200 -0.877 1.00 0.00 C ATOM 1858 CD1 TYR A 122 9.390 11.334 -0.469 1.00 0.00 C ATOM 1859 CD2 TYR A 122 11.407 12.348 -1.234 1.00 0.00 C ATOM 1860 CE1 TYR A 122 8.782 12.573 -0.418 1.00 0.00 C ATOM 1861 CE2 TYR A 122 10.808 13.591 -1.186 1.00 0.00 C ATOM 1862 CZ TYR A 122 9.494 13.699 -0.779 1.00 0.00 C ATOM 1863 OH TYR A 122 8.893 14.935 -0.730 1.00 0.00 O ATOM 0 H TYR A 122 13.515 8.334 0.577 1.00 0.00 H new ATOM 0 HA TYR A 122 11.123 9.824 1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 122 12.327 9.938 -1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.755 9.166 -1.514 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.829 10.455 -0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 122 12.435 12.267 -1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 122 7.754 12.660 -0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.365 14.473 -1.465 1.00 0.00 H new ATOM 0 HH TYR A 122 9.532 15.621 -1.015 1.00 0.00 H new ATOM 1873 N LYS A 123 11.717 6.907 -0.219 1.00 0.00 N ATOM 1874 CA LYS A 123 11.305 5.507 -0.251 1.00 0.00 C ATOM 1875 C LYS A 123 9.803 5.368 -0.548 1.00 0.00 C ATOM 1876 O LYS A 123 9.408 5.295 -1.712 1.00 0.00 O ATOM 1877 CB LYS A 123 11.664 4.831 1.075 1.00 0.00 C ATOM 1878 CG LYS A 123 13.156 4.785 1.362 1.00 0.00 C ATOM 1879 CD LYS A 123 13.890 3.889 0.376 1.00 0.00 C ATOM 1880 CE LYS A 123 15.237 4.474 -0.018 1.00 0.00 C ATOM 1881 NZ LYS A 123 15.447 4.437 -1.492 1.00 0.00 N ATOM 0 H LYS A 123 12.530 7.117 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 123 11.841 5.010 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 123 11.164 5.359 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 123 11.274 3.813 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.567 5.793 1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.321 4.422 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.036 2.904 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 123 13.278 3.751 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.302 5.504 0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.033 3.918 0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 16.465 4.482 -1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.054 3.554 -1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 14.969 5.249 -1.931 1.00 0.00 H new ATOM 1895 N TYR A 124 8.973 5.328 0.504 1.00 0.00 N ATOM 1896 CA TYR A 124 7.517 5.198 0.357 1.00 0.00 C ATOM 1897 C TYR A 124 6.982 5.975 -0.847 1.00 0.00 C ATOM 1898 O TYR A 124 5.996 5.573 -1.465 1.00 0.00 O ATOM 1899 CB TYR A 124 6.817 5.687 1.629 1.00 0.00 C ATOM 1900 CG TYR A 124 6.661 4.624 2.696 1.00 0.00 C ATOM 1901 CD1 TYR A 124 7.294 3.392 2.586 1.00 0.00 C ATOM 1902 CD2 TYR A 124 5.872 4.856 3.818 1.00 0.00 C ATOM 1903 CE1 TYR A 124 7.147 2.426 3.558 1.00 0.00 C ATOM 1904 CE2 TYR A 124 5.723 3.890 4.795 1.00 0.00 C ATOM 1905 CZ TYR A 124 6.363 2.676 4.660 1.00 0.00 C ATOM 1906 OH TYR A 124 6.215 1.712 5.630 1.00 0.00 O ATOM 0 H TYR A 124 9.289 5.384 1.472 1.00 0.00 H new ATOM 0 HA TYR A 124 7.304 4.142 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.381 6.522 2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 124 5.831 6.069 1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 124 7.912 3.188 1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 124 5.368 5.805 3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 124 7.647 1.474 3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 124 5.108 4.085 5.661 1.00 0.00 H new ATOM 0 HH TYR A 124 5.630 2.050 6.340 1.00 0.00 H new ATOM 1916 N PHE A 125 7.633 7.086 -1.175 1.00 0.00 N ATOM 1917 CA PHE A 125 7.209 7.906 -2.303 1.00 0.00 C ATOM 1918 C PHE A 125 7.586 7.251 -3.626 1.00 0.00 C ATOM 1919 O PHE A 125 8.767 7.105 -3.945 1.00 0.00 O ATOM 1920 CB PHE A 125 7.832 9.303 -2.219 1.00 0.00 C ATOM 1921 CG PHE A 125 7.630 10.134 -3.460 1.00 0.00 C ATOM 1922 CD1 PHE A 125 8.435 9.952 -4.574 1.00 0.00 C ATOM 1923 CD2 PHE A 125 6.633 11.096 -3.510 1.00 0.00 C ATOM 1924 CE1 PHE A 125 8.249 10.711 -5.712 1.00 0.00 C ATOM 1925 CE2 PHE A 125 6.443 11.859 -4.647 1.00 0.00 C ATOM 1926 CZ PHE A 125 7.253 11.665 -5.750 1.00 0.00 C ATOM 0 H PHE A 125 8.452 7.438 -0.679 1.00 0.00 H new ATOM 0 HA PHE A 125 6.124 7.998 -2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 125 7.405 9.831 -1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 125 8.901 9.203 -2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 125 9.217 9.207 -4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 125 5.997 11.251 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.883 10.558 -6.573 1.00 0.00 H new ATOM 0 HE2 PHE A 125 5.663 12.605 -4.673 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.107 12.259 -6.640 1.00 0.00 H new ATOM 1936 N TYR A 126 6.579 6.881 -4.406 1.00 0.00 N ATOM 1937 CA TYR A 126 6.813 6.271 -5.705 1.00 0.00 C ATOM 1938 C TYR A 126 6.844 7.349 -6.779 1.00 0.00 C ATOM 1939 O TYR A 126 6.668 8.532 -6.487 1.00 0.00 O ATOM 1940 CB TYR A 126 5.726 5.245 -6.037 1.00 0.00 C ATOM 1941 CG TYR A 126 6.054 3.838 -5.588 1.00 0.00 C ATOM 1942 CD1 TYR A 126 7.103 3.133 -6.165 1.00 0.00 C ATOM 1943 CD2 TYR A 126 5.312 3.215 -4.593 1.00 0.00 C ATOM 1944 CE1 TYR A 126 7.402 1.845 -5.761 1.00 0.00 C ATOM 1945 CE2 TYR A 126 5.606 1.929 -4.184 1.00 0.00 C ATOM 1946 CZ TYR A 126 6.653 1.249 -4.771 1.00 0.00 C ATOM 1947 OH TYR A 126 6.947 -0.033 -4.365 1.00 0.00 O ATOM 0 H TYR A 126 5.595 6.993 -4.161 1.00 0.00 H new ATOM 0 HA TYR A 126 7.772 5.755 -5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.791 5.556 -5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.559 5.243 -7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 126 7.694 3.598 -6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 126 4.492 3.745 -4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 126 8.219 1.309 -6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 126 5.019 1.458 -3.409 1.00 0.00 H new ATOM 0 HH TYR A 126 7.015 -0.059 -3.388 1.00 0.00 H new ATOM 1957 N VAL A 127 7.057 6.936 -8.017 1.00 0.00 N ATOM 1958 CA VAL A 127 7.100 7.863 -9.134 1.00 0.00 C ATOM 1959 C VAL A 127 7.341 7.109 -10.438 1.00 0.00 C ATOM 1960 O VAL A 127 8.435 6.605 -10.692 1.00 0.00 O ATOM 1961 CB VAL A 127 8.165 8.972 -8.922 1.00 0.00 C ATOM 1962 CG1 VAL A 127 9.570 8.503 -9.275 1.00 0.00 C ATOM 1963 CG2 VAL A 127 7.802 10.218 -9.715 1.00 0.00 C ATOM 0 H VAL A 127 7.203 5.960 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 127 6.132 8.360 -9.195 1.00 0.00 H new ATOM 0 HB VAL A 127 8.168 9.215 -7.859 1.00 0.00 H new ATOM 0 HG11 VAL A 127 10.277 9.316 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 127 9.839 7.654 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.601 8.203 -10.322 1.00 0.00 H new ATOM 0 HG21 VAL A 127 8.560 10.985 -9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 127 7.753 9.973 -10.776 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.833 10.591 -9.384 1.00 0.00 H new ATOM 1973 N SER A 128 6.288 7.012 -11.245 1.00 0.00 N ATOM 1974 CA SER A 128 6.339 6.302 -12.524 1.00 0.00 C ATOM 1975 C SER A 128 6.112 4.806 -12.317 1.00 0.00 C ATOM 1976 O SER A 128 6.937 4.116 -11.716 1.00 0.00 O ATOM 1977 CB SER A 128 7.678 6.537 -13.232 1.00 0.00 C ATOM 1978 OG SER A 128 7.560 6.327 -14.630 1.00 0.00 O ATOM 0 H SER A 128 5.378 7.421 -11.034 1.00 0.00 H new ATOM 0 HA SER A 128 5.543 6.696 -13.156 1.00 0.00 H new ATOM 0 HB2 SER A 128 8.020 7.554 -13.041 1.00 0.00 H new ATOM 0 HB3 SER A 128 8.432 5.865 -12.823 1.00 0.00 H new ATOM 0 HG SER A 128 8.427 6.485 -15.059 1.00 0.00 H new ATOM 1984 N ALA A 129 4.978 4.313 -12.818 1.00 0.00 N ATOM 1985 CA ALA A 129 4.616 2.902 -12.696 1.00 0.00 C ATOM 1986 C ALA A 129 5.796 1.980 -12.989 1.00 0.00 C ATOM 1987 O ALA A 129 5.856 0.856 -12.489 1.00 0.00 O ATOM 1988 CB ALA A 129 3.452 2.579 -13.621 1.00 0.00 C ATOM 0 H ALA A 129 4.290 4.877 -13.316 1.00 0.00 H new ATOM 0 HA ALA A 129 4.317 2.728 -11.662 1.00 0.00 H new ATOM 0 HB1 ALA A 129 3.190 1.525 -13.522 1.00 0.00 H new ATOM 0 HB2 ALA A 129 2.592 3.193 -13.352 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.738 2.787 -14.652 1.00 0.00 H new ATOM 1994 N GLU A 130 6.730 2.455 -13.803 1.00 0.00 N ATOM 1995 CA GLU A 130 7.905 1.668 -14.163 1.00 0.00 C ATOM 1996 C GLU A 130 8.537 1.016 -12.931 1.00 0.00 C ATOM 1997 O GLU A 130 8.640 -0.210 -12.842 1.00 0.00 O ATOM 1998 CB GLU A 130 8.932 2.549 -14.876 1.00 0.00 C ATOM 1999 CG GLU A 130 9.267 2.074 -16.279 1.00 0.00 C ATOM 2000 CD GLU A 130 9.866 3.172 -17.138 1.00 0.00 C ATOM 2001 OE1 GLU A 130 9.109 4.073 -17.560 1.00 0.00 O ATOM 2002 OE2 GLU A 130 11.087 3.130 -17.389 1.00 0.00 O ATOM 0 H GLU A 130 6.698 3.382 -14.227 1.00 0.00 H new ATOM 0 HA GLU A 130 7.583 0.874 -14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 130 8.551 3.569 -14.928 1.00 0.00 H new ATOM 0 HB3 GLU A 130 9.846 2.580 -14.283 1.00 0.00 H new ATOM 0 HG2 GLU A 130 9.968 1.241 -16.219 1.00 0.00 H new ATOM 0 HG3 GLU A 130 8.363 1.696 -16.757 1.00 0.00 H new ATOM 2009 N GLN A 131 8.963 1.833 -11.977 1.00 0.00 N ATOM 2010 CA GLN A 131 9.581 1.300 -10.777 1.00 0.00 C ATOM 2011 C GLN A 131 8.556 0.675 -9.842 1.00 0.00 C ATOM 2012 O GLN A 131 8.828 -0.340 -9.202 1.00 0.00 O ATOM 2013 CB GLN A 131 10.365 2.360 -10.027 1.00 0.00 C ATOM 2014 CG GLN A 131 9.567 3.612 -9.710 1.00 0.00 C ATOM 2015 CD GLN A 131 9.861 4.151 -8.326 1.00 0.00 C ATOM 2016 OE1 GLN A 131 10.453 3.468 -7.491 1.00 0.00 O ATOM 2017 NE2 GLN A 131 9.447 5.386 -8.077 1.00 0.00 N ATOM 0 H GLN A 131 8.893 2.850 -12.011 1.00 0.00 H new ATOM 0 HA GLN A 131 10.270 0.524 -11.111 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.735 1.932 -9.095 1.00 0.00 H new ATOM 0 HB3 GLN A 131 11.237 2.638 -10.618 1.00 0.00 H new ATOM 0 HG2 GLN A 131 9.792 4.379 -10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.503 3.391 -9.792 1.00 0.00 H new ATOM 0 HE21 GLN A 131 8.960 5.916 -8.800 1.00 0.00 H new ATOM 0 HE22 GLN A 131 9.616 5.806 -7.163 1.00 0.00 H new ATOM 2026 N VAL A 132 7.374 1.277 -9.756 1.00 0.00 N ATOM 2027 CA VAL A 132 6.331 0.754 -8.885 1.00 0.00 C ATOM 2028 C VAL A 132 6.012 -0.692 -9.257 1.00 0.00 C ATOM 2029 O VAL A 132 5.548 -1.469 -8.426 1.00 0.00 O ATOM 2030 CB VAL A 132 5.035 1.609 -8.922 1.00 0.00 C ATOM 2031 CG1 VAL A 132 5.346 3.068 -9.219 1.00 0.00 C ATOM 2032 CG2 VAL A 132 4.025 1.058 -9.922 1.00 0.00 C ATOM 0 H VAL A 132 7.117 2.118 -10.273 1.00 0.00 H new ATOM 0 HA VAL A 132 6.716 0.798 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 132 4.584 1.552 -7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 132 4.419 3.641 -9.238 1.00 0.00 H new ATOM 0 HG12 VAL A 132 6.002 3.465 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 132 5.840 3.145 -10.187 1.00 0.00 H new ATOM 0 HG21 VAL A 132 3.132 1.683 -9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 132 4.464 1.057 -10.920 1.00 0.00 H new ATOM 0 HG23 VAL A 132 3.756 0.039 -9.643 1.00 0.00 H new ATOM 2042 N VAL A 133 6.269 -1.046 -10.513 1.00 0.00 N ATOM 2043 CA VAL A 133 6.008 -2.396 -10.985 1.00 0.00 C ATOM 2044 C VAL A 133 7.165 -3.337 -10.657 1.00 0.00 C ATOM 2045 O VAL A 133 6.947 -4.526 -10.426 1.00 0.00 O ATOM 2046 CB VAL A 133 5.724 -2.434 -12.501 1.00 0.00 C ATOM 2047 CG1 VAL A 133 7.003 -2.243 -13.303 1.00 0.00 C ATOM 2048 CG2 VAL A 133 5.043 -3.740 -12.879 1.00 0.00 C ATOM 0 H VAL A 133 6.656 -0.418 -11.217 1.00 0.00 H new ATOM 0 HA VAL A 133 5.116 -2.737 -10.460 1.00 0.00 H new ATOM 0 HB VAL A 133 5.053 -1.609 -12.742 1.00 0.00 H new ATOM 0 HG11 VAL A 133 6.773 -2.274 -14.368 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.447 -1.279 -13.056 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.707 -3.039 -13.060 1.00 0.00 H new ATOM 0 HG21 VAL A 133 4.849 -3.752 -13.952 1.00 0.00 H new ATOM 0 HG22 VAL A 133 5.691 -4.577 -12.618 1.00 0.00 H new ATOM 0 HG23 VAL A 133 4.100 -3.828 -12.339 1.00 0.00 H new ATOM 2058 N GLN A 134 8.399 -2.818 -10.627 1.00 0.00 N ATOM 2059 CA GLN A 134 9.541 -3.677 -10.309 1.00 0.00 C ATOM 2060 C GLN A 134 9.579 -3.938 -8.815 1.00 0.00 C ATOM 2061 O GLN A 134 9.866 -5.051 -8.371 1.00 0.00 O ATOM 2062 CB GLN A 134 10.872 -3.081 -10.784 1.00 0.00 C ATOM 2063 CG GLN A 134 10.911 -1.568 -10.784 1.00 0.00 C ATOM 2064 CD GLN A 134 12.234 -1.017 -11.282 1.00 0.00 C ATOM 2065 OE1 GLN A 134 13.280 -1.173 -10.478 1.00 0.00 O flip ATOM 2066 NE2 GLN A 134 12.315 -0.458 -12.376 1.00 0.00 N flip ATOM 0 H GLN A 134 8.626 -1.841 -10.812 1.00 0.00 H new ATOM 0 HA GLN A 134 9.409 -4.617 -10.845 1.00 0.00 H new ATOM 0 HB2 GLN A 134 11.672 -3.454 -10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 134 11.077 -3.438 -11.793 1.00 0.00 H new ATOM 0 HG2 GLN A 134 10.105 -1.188 -11.411 1.00 0.00 H new ATOM 0 HG3 GLN A 134 10.728 -1.204 -9.773 1.00 0.00 H new ATOM 0 HE21 GLN A 134 11.485 -0.360 -12.961 1.00 0.00 H new ATOM 0 HE22 GLN A 134 13.212 -0.093 -12.697 1.00 0.00 H new ATOM 2075 N GLY A 135 9.253 -2.910 -8.043 1.00 0.00 N ATOM 2076 CA GLY A 135 9.219 -3.051 -6.606 1.00 0.00 C ATOM 2077 C GLY A 135 8.002 -3.834 -6.159 1.00 0.00 C ATOM 2078 O GLY A 135 7.985 -4.399 -5.065 1.00 0.00 O ATOM 0 H GLY A 135 9.012 -1.981 -8.389 1.00 0.00 H new ATOM 0 HA2 GLY A 135 10.124 -3.555 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 135 9.210 -2.065 -6.142 1.00 0.00 H new ATOM 2082 N MET A 136 6.981 -3.878 -7.018 1.00 0.00 N ATOM 2083 CA MET A 136 5.758 -4.608 -6.707 1.00 0.00 C ATOM 2084 C MET A 136 5.851 -6.040 -7.217 1.00 0.00 C ATOM 2085 O MET A 136 5.330 -6.966 -6.597 1.00 0.00 O ATOM 2086 CB MET A 136 4.543 -3.905 -7.313 1.00 0.00 C ATOM 2087 CG MET A 136 4.063 -2.710 -6.501 1.00 0.00 C ATOM 2088 SD MET A 136 3.673 -3.133 -4.792 1.00 0.00 S ATOM 2089 CE MET A 136 4.114 -1.612 -3.958 1.00 0.00 C ATOM 0 H MET A 136 6.980 -3.418 -7.929 1.00 0.00 H new ATOM 0 HA MET A 136 5.637 -4.631 -5.624 1.00 0.00 H new ATOM 0 HB2 MET A 136 4.791 -3.573 -8.321 1.00 0.00 H new ATOM 0 HB3 MET A 136 3.727 -4.622 -7.406 1.00 0.00 H new ATOM 0 HG2 MET A 136 4.832 -1.937 -6.512 1.00 0.00 H new ATOM 0 HG3 MET A 136 3.178 -2.286 -6.976 1.00 0.00 H new ATOM 0 HE1 MET A 136 3.767 -1.649 -2.926 1.00 0.00 H new ATOM 0 HE2 MET A 136 5.197 -1.490 -3.972 1.00 0.00 H new ATOM 0 HE3 MET A 136 3.647 -0.769 -4.468 1.00 0.00 H new ATOM 2099 N LYS A 137 6.536 -6.216 -8.340 1.00 0.00 N ATOM 2100 CA LYS A 137 6.720 -7.537 -8.927 1.00 0.00 C ATOM 2101 C LYS A 137 7.768 -8.332 -8.146 1.00 0.00 C ATOM 2102 O LYS A 137 7.899 -9.544 -8.317 1.00 0.00 O ATOM 2103 CB LYS A 137 7.106 -7.430 -10.407 1.00 0.00 C ATOM 2104 CG LYS A 137 8.570 -7.100 -10.654 1.00 0.00 C ATOM 2105 CD LYS A 137 8.796 -6.587 -12.070 1.00 0.00 C ATOM 2106 CE LYS A 137 8.247 -7.547 -13.116 1.00 0.00 C ATOM 2107 NZ LYS A 137 9.126 -8.734 -13.299 1.00 0.00 N ATOM 0 H LYS A 137 6.974 -5.458 -8.864 1.00 0.00 H new ATOM 0 HA LYS A 137 5.772 -8.071 -8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 137 6.871 -8.373 -10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 137 6.490 -6.663 -10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.901 -6.349 -9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.178 -7.989 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 137 8.318 -5.614 -12.184 1.00 0.00 H new ATOM 0 HD3 LYS A 137 9.863 -6.440 -12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.251 -7.876 -12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 137 8.140 -7.025 -14.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.716 -9.362 -14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 10.069 -8.423 -13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 9.208 -9.248 -12.398 1.00 0.00 H new ATOM 2121 N GLU A 138 8.510 -7.636 -7.286 1.00 0.00 N ATOM 2122 CA GLU A 138 9.546 -8.265 -6.472 1.00 0.00 C ATOM 2123 C GLU A 138 8.995 -8.693 -5.115 1.00 0.00 C ATOM 2124 O GLU A 138 8.946 -9.881 -4.798 1.00 0.00 O ATOM 2125 CB GLU A 138 10.713 -7.297 -6.269 1.00 0.00 C ATOM 2126 CG GLU A 138 12.033 -7.990 -5.968 1.00 0.00 C ATOM 2127 CD GLU A 138 12.976 -7.117 -5.165 1.00 0.00 C ATOM 2128 OE1 GLU A 138 12.661 -6.825 -3.992 1.00 0.00 O ATOM 2129 OE2 GLU A 138 14.030 -6.724 -5.708 1.00 0.00 O ATOM 0 H GLU A 138 8.411 -6.632 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 138 9.895 -9.153 -6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 138 10.828 -6.687 -7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.473 -6.619 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 138 11.839 -8.911 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 138 12.513 -8.273 -6.905 1.00 0.00 H new ATOM 2136 N ALA A 139 8.586 -7.712 -4.321 1.00 0.00 N ATOM 2137 CA ALA A 139 8.041 -7.972 -2.992 1.00 0.00 C ATOM 2138 C ALA A 139 6.824 -8.890 -3.049 1.00 0.00 C ATOM 2139 O ALA A 139 6.445 -9.498 -2.048 1.00 0.00 O ATOM 2140 CB ALA A 139 7.673 -6.665 -2.313 1.00 0.00 C ATOM 0 H ALA A 139 8.621 -6.725 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 139 8.813 -8.478 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 139 7.268 -6.871 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 139 8.562 -6.041 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 139 6.925 -6.143 -2.910 1.00 0.00 H new ATOM 2146 N GLN A 140 6.203 -8.969 -4.220 1.00 0.00 N ATOM 2147 CA GLN A 140 5.016 -9.789 -4.406 1.00 0.00 C ATOM 2148 C GLN A 140 5.273 -11.269 -4.116 1.00 0.00 C ATOM 2149 O GLN A 140 4.329 -12.046 -3.976 1.00 0.00 O ATOM 2150 CB GLN A 140 4.490 -9.625 -5.829 1.00 0.00 C ATOM 2151 CG GLN A 140 5.542 -9.853 -6.899 1.00 0.00 C ATOM 2152 CD GLN A 140 5.958 -11.307 -7.018 1.00 0.00 C ATOM 2153 OE1 GLN A 140 7.148 -11.621 -7.036 1.00 0.00 O ATOM 2154 NE2 GLN A 140 4.979 -12.201 -7.104 1.00 0.00 N ATOM 0 H GLN A 140 6.505 -8.472 -5.058 1.00 0.00 H new ATOM 0 HA GLN A 140 4.271 -9.444 -3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.668 -10.323 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.081 -8.621 -5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 140 5.156 -9.511 -7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.419 -9.247 -6.674 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.006 -11.895 -7.085 1.00 0.00 H new ATOM 0 HE22 GLN A 140 5.200 -13.193 -7.189 1.00 0.00 H new ATOM 2163 N GLU A 141 6.541 -11.670 -4.041 1.00 0.00 N ATOM 2164 CA GLU A 141 6.872 -13.069 -3.782 1.00 0.00 C ATOM 2165 C GLU A 141 7.754 -13.235 -2.546 1.00 0.00 C ATOM 2166 O GLU A 141 7.601 -14.198 -1.793 1.00 0.00 O ATOM 2167 CB GLU A 141 7.558 -13.682 -4.993 1.00 0.00 C ATOM 2168 CG GLU A 141 8.942 -13.136 -5.192 1.00 0.00 C ATOM 2169 CD GLU A 141 9.590 -13.602 -6.480 1.00 0.00 C ATOM 2170 OE1 GLU A 141 10.013 -14.776 -6.541 1.00 0.00 O ATOM 2171 OE2 GLU A 141 9.673 -12.792 -7.428 1.00 0.00 O ATOM 0 H GLU A 141 7.346 -11.055 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 141 5.934 -13.590 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 141 7.609 -14.764 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.961 -13.489 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.900 -12.047 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.567 -13.434 -4.350 1.00 0.00 H new ATOM 2178 N ARG A 142 8.681 -12.308 -2.344 1.00 0.00 N ATOM 2179 CA ARG A 142 9.586 -12.378 -1.200 1.00 0.00 C ATOM 2180 C ARG A 142 8.907 -11.910 0.085 1.00 0.00 C ATOM 2181 O ARG A 142 9.413 -12.146 1.182 1.00 0.00 O ATOM 2182 CB ARG A 142 10.847 -11.549 -1.458 1.00 0.00 C ATOM 2183 CG ARG A 142 10.561 -10.135 -1.935 1.00 0.00 C ATOM 2184 CD ARG A 142 10.799 -9.113 -0.836 1.00 0.00 C ATOM 2185 NE ARG A 142 12.186 -9.109 -0.379 1.00 0.00 N ATOM 2186 CZ ARG A 142 12.749 -8.097 0.279 1.00 0.00 C ATOM 2187 NH1 ARG A 142 12.044 -7.008 0.565 1.00 0.00 N ATOM 2188 NH2 ARG A 142 14.018 -8.174 0.653 1.00 0.00 N ATOM 0 H ARG A 142 8.827 -11.502 -2.952 1.00 0.00 H new ATOM 0 HA ARG A 142 9.867 -13.423 -1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 142 11.434 -11.502 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 142 11.459 -12.057 -2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 142 11.196 -9.904 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.528 -10.068 -2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.536 -8.121 -1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.141 -9.327 0.006 1.00 0.00 H new ATOM 0 HE ARG A 142 12.758 -9.930 -0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.067 -6.944 0.280 1.00 0.00 H new ATOM 0 HH12 ARG A 142 12.480 -6.236 1.069 1.00 0.00 H new ATOM 0 HH21 ARG A 142 14.564 -9.008 0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 142 14.449 -7.399 1.157 1.00 0.00 H new ATOM 2202 N LEU A 143 7.762 -11.244 -0.048 1.00 0.00 N ATOM 2203 CA LEU A 143 7.035 -10.750 1.115 1.00 0.00 C ATOM 2204 C LEU A 143 5.774 -11.579 1.375 1.00 0.00 C ATOM 2205 O LEU A 143 5.387 -11.789 2.524 1.00 0.00 O ATOM 2206 CB LEU A 143 6.689 -9.264 0.927 1.00 0.00 C ATOM 2207 CG LEU A 143 5.198 -8.933 0.801 1.00 0.00 C ATOM 2208 CD1 LEU A 143 4.543 -8.893 2.173 1.00 0.00 C ATOM 2209 CD2 LEU A 143 5.007 -7.610 0.072 1.00 0.00 C ATOM 0 H LEU A 143 7.321 -11.036 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 143 7.677 -10.851 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 143 7.095 -8.707 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 143 7.198 -8.903 0.033 1.00 0.00 H new ATOM 0 HG LEU A 143 4.717 -9.717 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 143 3.485 -8.657 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 143 4.650 -9.864 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 143 5.024 -8.129 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 143 3.943 -7.390 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 143 5.501 -6.813 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 143 5.440 -7.679 -0.926 1.00 0.00 H new ATOM 2221 N THR A 144 5.141 -12.047 0.302 1.00 0.00 N ATOM 2222 CA THR A 144 3.928 -12.849 0.415 1.00 0.00 C ATOM 2223 C THR A 144 4.130 -14.033 1.358 1.00 0.00 C ATOM 2224 O THR A 144 3.195 -14.472 2.026 1.00 0.00 O ATOM 2225 CB THR A 144 3.504 -13.353 -0.959 1.00 0.00 C ATOM 2226 OG1 THR A 144 4.627 -13.769 -1.714 1.00 0.00 O ATOM 2227 CG2 THR A 144 2.756 -12.322 -1.774 1.00 0.00 C ATOM 0 H THR A 144 5.449 -11.884 -0.656 1.00 0.00 H new ATOM 0 HA THR A 144 3.145 -12.214 0.828 1.00 0.00 H new ATOM 0 HB THR A 144 2.833 -14.189 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 144 4.362 -14.487 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 144 2.485 -12.748 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 144 1.852 -12.024 -1.242 1.00 0.00 H new ATOM 0 HG23 THR A 144 3.391 -11.449 -1.928 1.00 0.00 H new