USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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: 1 87 ASN : amide:sc= -5.21! C(o=-6.7!,f=-12!) USER MOD Set 1.2: 1 110 THR OG1 : rot 180:sc= -1.52! USER MOD Set 2.1: 1 89 LYS NZ :NH3+ -172:sc= -1.21! (180deg=-1.3!) USER MOD Set 2.2: 1 109 THR OG1 : rot 180:sc= -0.0503 USER MOD Set 3.1: 1 30 GLN :FLIP amide:sc= -10.5! C(o=-15!,f=-11!) USER MOD Set 3.2: 1 77 LYS NZ :NH3+ 170:sc= -0.0194 (180deg=-0.181) USER MOD Set 4.1: 1 49 THR OG1 : rot 167:sc= -0.189! USER MOD Set 4.2: 1 53 ASN : amide:sc= -4.97! C(o=-5.2!,f=-8.1!) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 24 TYR OH : rot 146:sc= -7.64! USER MOD Single : 1 25 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.249) USER MOD Single : 1 31 LYS NZ :NH3+ -141:sc= -0.346 (180deg=-0.834!) USER MOD Single : 1 33 ASN : amide:sc= -5.73! C(o=-5.7!,f=-6.9!) USER MOD Single : 1 37 GLN : amide:sc= -13! C(o=-13!,f=-17!) USER MOD Single : 1 40 ASN : amide:sc= -6! C(o=-6!,f=-9.9!) USER MOD Single : 1 41 ASN :FLIP amide:sc= -9! C(o=-16!,f=-9!) USER MOD Single : 1 46 THR OG1 : rot -82:sc= 0.133 USER MOD Single : 1 64 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 65 SER OG : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 80 TYR OH : rot 180:sc= 0 USER MOD Single : 1 84 ASN :FLIP amide:sc= -2.72 F(o=-4.1,f=-2.7) USER MOD Single : 1 86 ASN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : 1 90 SER OG : rot 180:sc= 0 USER MOD Single : 1 93 THR OG1 : rot 180:sc= 0.116 USER MOD Single : 1 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 98 SER OG : rot -74:sc= 0.276 USER MOD Single : 1 102 SER OG : rot 180:sc= 0 USER MOD Single : 1 105 GLN : amide:sc= -4.2! C(o=-4.2!,f=-4.4!) USER MOD Single : 1 107 ASN : amide:sc=-0.00167 X(o=-0.0017,f=0) USER MOD Single : 1 113 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.6) USER MOD Single : 1 117 ASN : amide:sc= -14.5! C(o=-15!,f=-20!) USER MOD Single : 1 118 THR OG1 : rot -46:sc= -0.444 USER MOD Single : 1 119 THR OG1 : rot -45:sc= 0.388 USER MOD Single : 1 120 SER OG : rot 47:sc= 1.03 USER MOD Single : 1 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 123 ASN : amide:sc= -18.2! C(o=-18!,f=-18!) USER MOD Single : 1 126 TYR OH : rot 180:sc= 0 USER MOD Single : 1 128 LYS NZ :NH3+ -162:sc= 0.065 (180deg=-0.197) USER MOD ----------------------------------------------------------------- ATOM 320 N LYS 1 22 9.924 -0.242 -3.971 1.00 0.00 N ATOM 321 CA LYS 1 22 10.377 -1.602 -3.719 1.00 0.00 C ATOM 322 C LYS 1 22 9.214 -2.546 -3.394 1.00 0.00 C ATOM 323 O LYS 1 22 8.090 -2.112 -3.141 1.00 0.00 O ATOM 324 CB LYS 1 22 11.402 -1.603 -2.594 1.00 0.00 C ATOM 325 CG LYS 1 22 12.820 -1.883 -3.066 1.00 0.00 C ATOM 326 CD LYS 1 22 13.470 -2.990 -2.253 1.00 0.00 C ATOM 327 CE LYS 1 22 14.163 -2.438 -1.017 1.00 0.00 C ATOM 328 NZ LYS 1 22 14.667 -3.523 -0.132 1.00 0.00 N ATOM 0 HA LYS 1 22 10.842 -1.975 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 11.379 -0.636 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 11.119 -2.353 -1.856 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 12.805 -2.164 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 13.417 -0.974 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 12.714 -3.716 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 14.194 -3.520 -2.871 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 14.994 -1.802 -1.321 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 13.467 -1.810 -0.461 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 15.133 -3.105 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 13.871 -4.116 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 15.350 -4.108 -0.654 1.00 0.00 H new ATOM 342 N ILE 1 23 9.497 -3.843 -3.453 1.00 0.00 N ATOM 343 CA ILE 1 23 8.507 -4.879 -3.230 1.00 0.00 C ATOM 344 C ILE 1 23 8.063 -5.043 -1.777 1.00 0.00 C ATOM 345 O ILE 1 23 8.797 -4.752 -0.832 1.00 0.00 O ATOM 346 CB ILE 1 23 9.058 -6.226 -3.747 1.00 0.00 C ATOM 347 CG1 ILE 1 23 8.224 -6.681 -4.926 1.00 0.00 C ATOM 348 CG2 ILE 1 23 9.090 -7.293 -2.657 1.00 0.00 C ATOM 349 CD1 ILE 1 23 9.046 -7.086 -6.125 1.00 0.00 C ATOM 0 H ILE 1 23 10.429 -4.203 -3.659 1.00 0.00 H new ATOM 0 HA ILE 1 23 7.619 -4.565 -3.778 1.00 0.00 H new ATOM 0 HB ILE 1 23 10.091 -6.077 -4.062 1.00 0.00 H new ATOM 0 HG12 ILE 1 23 7.605 -7.524 -4.619 1.00 0.00 H new ATOM 0 HG13 ILE 1 23 7.548 -5.876 -5.214 1.00 0.00 H new ATOM 0 HG21 ILE 1 23 9.485 -8.222 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE 1 23 9.728 -6.958 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE 1 23 8.080 -7.462 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE 1 23 8.383 -7.400 -6.931 1.00 0.00 H new ATOM 0 HD12 ILE 1 23 9.646 -6.239 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE 1 23 9.704 -7.912 -5.853 1.00 0.00 H new ATOM 361 N TYR 1 24 6.846 -5.570 -1.648 1.00 0.00 N ATOM 362 CA TYR 1 24 6.214 -5.873 -0.388 1.00 0.00 C ATOM 363 C TYR 1 24 6.143 -7.383 -0.281 1.00 0.00 C ATOM 364 O TYR 1 24 6.386 -8.073 -1.265 1.00 0.00 O ATOM 365 CB TYR 1 24 4.800 -5.346 -0.384 1.00 0.00 C ATOM 366 CG TYR 1 24 4.592 -4.001 0.250 1.00 0.00 C ATOM 367 CD1 TYR 1 24 5.058 -2.839 -0.345 1.00 0.00 C ATOM 368 CD2 TYR 1 24 3.904 -3.898 1.443 1.00 0.00 C ATOM 369 CE1 TYR 1 24 4.842 -1.612 0.244 1.00 0.00 C ATOM 370 CE2 TYR 1 24 3.682 -2.682 2.032 1.00 0.00 C ATOM 371 CZ TYR 1 24 4.150 -1.546 1.433 1.00 0.00 C ATOM 372 OH TYR 1 24 3.917 -0.342 2.024 1.00 0.00 O ATOM 0 H TYR 1 24 6.263 -5.801 -2.452 1.00 0.00 H new ATOM 0 HA TYR 1 24 6.773 -5.425 0.433 1.00 0.00 H new ATOM 0 HB2 TYR 1 24 4.451 -5.295 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR 1 24 4.167 -6.069 0.132 1.00 0.00 H new ATOM 0 HD1 TYR 1 24 5.596 -2.896 -1.280 1.00 0.00 H new ATOM 0 HD2 TYR 1 24 3.534 -4.793 1.920 1.00 0.00 H new ATOM 0 HE1 TYR 1 24 5.212 -0.711 -0.222 1.00 0.00 H new ATOM 0 HE2 TYR 1 24 3.140 -2.621 2.964 1.00 0.00 H new ATOM 0 HH TYR 1 24 3.048 -0.362 2.476 1.00 0.00 H new ATOM 382 N LYS 1 25 5.784 -7.909 0.870 1.00 0.00 N ATOM 383 CA LYS 1 25 5.663 -9.354 1.002 1.00 0.00 C ATOM 384 C LYS 1 25 4.234 -9.767 1.325 1.00 0.00 C ATOM 385 O LYS 1 25 3.750 -9.545 2.426 1.00 0.00 O ATOM 386 CB LYS 1 25 6.597 -9.877 2.069 1.00 0.00 C ATOM 387 CG LYS 1 25 8.025 -10.073 1.588 1.00 0.00 C ATOM 388 CD LYS 1 25 8.662 -8.752 1.191 1.00 0.00 C ATOM 389 CE LYS 1 25 10.163 -8.760 1.437 1.00 0.00 C ATOM 390 NZ LYS 1 25 10.936 -8.758 0.163 1.00 0.00 N ATOM 0 H LYS 1 25 5.574 -7.376 1.714 1.00 0.00 H new ATOM 0 HA LYS 1 25 5.939 -9.789 0.042 1.00 0.00 H new ATOM 0 HB2 LYS 1 25 6.598 -9.184 2.910 1.00 0.00 H new ATOM 0 HB3 LYS 1 25 6.214 -10.828 2.440 1.00 0.00 H new ATOM 0 HG2 LYS 1 25 8.615 -10.541 2.376 1.00 0.00 H new ATOM 0 HG3 LYS 1 25 8.034 -10.753 0.736 1.00 0.00 H new ATOM 0 HD2 LYS 1 25 8.466 -8.555 0.137 1.00 0.00 H new ATOM 0 HD3 LYS 1 25 8.204 -7.941 1.757 1.00 0.00 H new ATOM 0 HE2 LYS 1 25 10.438 -7.888 2.030 1.00 0.00 H new ATOM 0 HE3 LYS 1 25 10.430 -9.640 2.022 1.00 0.00 H new ATOM 0 HZ1 LYS 1 25 11.916 -9.050 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS 1 25 10.500 -9.422 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS 1 25 10.932 -7.801 -0.244 1.00 0.00 H new ATOM 404 N VAL 1 26 3.556 -10.388 0.383 1.00 0.00 N ATOM 405 CA VAL 1 26 2.210 -10.820 0.632 1.00 0.00 C ATOM 406 C VAL 1 26 2.224 -12.097 1.426 1.00 0.00 C ATOM 407 O VAL 1 26 2.109 -13.200 0.889 1.00 0.00 O ATOM 408 CB VAL 1 26 1.376 -10.991 -0.627 1.00 0.00 C ATOM 409 CG1 VAL 1 26 0.036 -10.402 -0.352 1.00 0.00 C ATOM 410 CG2 VAL 1 26 2.023 -10.316 -1.813 1.00 0.00 C ATOM 0 H VAL 1 26 3.914 -10.600 -0.548 1.00 0.00 H new ATOM 0 HA VAL 1 26 1.731 -10.025 1.202 1.00 0.00 H new ATOM 0 HB VAL 1 26 1.290 -12.048 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 -0.595 -10.505 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 -0.425 -10.923 0.487 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 0.146 -9.346 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 1.401 -10.458 -2.697 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 2.130 -9.250 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 3.006 -10.752 -1.988 1.00 0.00 H new ATOM 420 N ASP 1 27 2.404 -11.897 2.712 1.00 0.00 N ATOM 421 CA ASP 1 27 2.483 -12.982 3.685 1.00 0.00 C ATOM 422 C ASP 1 27 1.110 -13.471 4.098 1.00 0.00 C ATOM 423 O ASP 1 27 0.955 -14.620 4.511 1.00 0.00 O ATOM 424 CB ASP 1 27 3.307 -12.551 4.906 1.00 0.00 C ATOM 425 CG ASP 1 27 4.788 -12.690 4.643 1.00 0.00 C ATOM 426 OD1 ASP 1 27 5.325 -13.800 4.840 1.00 0.00 O ATOM 427 OD2 ASP 1 27 5.409 -11.690 4.230 1.00 0.00 O ATOM 0 H ASP 1 27 2.502 -10.969 3.124 1.00 0.00 H new ATOM 0 HA ASP 1 27 2.989 -13.820 3.205 1.00 0.00 H new ATOM 0 HB2 ASP 1 27 3.075 -11.516 5.157 1.00 0.00 H new ATOM 0 HB3 ASP 1 27 3.030 -13.158 5.768 1.00 0.00 H new ATOM 432 N ASP 1 28 0.115 -12.603 3.998 1.00 0.00 N ATOM 433 CA ASP 1 28 -1.233 -12.986 4.383 1.00 0.00 C ATOM 434 C ASP 1 28 -2.257 -11.900 4.081 1.00 0.00 C ATOM 435 O ASP 1 28 -2.224 -10.819 4.669 1.00 0.00 O ATOM 436 CB ASP 1 28 -1.263 -13.314 5.874 1.00 0.00 C ATOM 437 CG ASP 1 28 -2.428 -14.207 6.250 1.00 0.00 C ATOM 438 OD1 ASP 1 28 -3.530 -13.671 6.491 1.00 0.00 O ATOM 439 OD2 ASP 1 28 -2.239 -15.440 6.306 1.00 0.00 O ATOM 0 H ASP 1 28 0.212 -11.646 3.660 1.00 0.00 H new ATOM 0 HA ASP 1 28 -1.504 -13.862 3.793 1.00 0.00 H new ATOM 0 HB2 ASP 1 28 -0.330 -13.803 6.154 1.00 0.00 H new ATOM 0 HB3 ASP 1 28 -1.321 -12.387 6.445 1.00 0.00 H new ATOM 444 N LEU 1 29 -3.195 -12.210 3.193 1.00 0.00 N ATOM 445 CA LEU 1 29 -4.251 -11.283 2.858 1.00 0.00 C ATOM 446 C LEU 1 29 -5.595 -11.983 2.926 1.00 0.00 C ATOM 447 O LEU 1 29 -5.735 -13.122 2.497 1.00 0.00 O ATOM 448 CB LEU 1 29 -4.034 -10.632 1.514 1.00 0.00 C ATOM 449 CG LEU 1 29 -5.263 -10.613 0.630 1.00 0.00 C ATOM 450 CD1 LEU 1 29 -5.395 -9.294 -0.082 1.00 0.00 C ATOM 451 CD2 LEU 1 29 -5.202 -11.772 -0.316 1.00 0.00 C ATOM 0 H LEU 1 29 -3.239 -13.099 2.696 1.00 0.00 H new ATOM 0 HA LEU 1 29 -4.238 -10.478 3.593 1.00 0.00 H new ATOM 0 HB2 LEU 1 29 -3.695 -9.608 1.669 1.00 0.00 H new ATOM 0 HB3 LEU 1 29 -3.233 -11.157 0.993 1.00 0.00 H new ATOM 0 HG LEU 1 29 -6.160 -10.718 1.241 1.00 0.00 H new ATOM 0 HD11 LEU 1 29 -6.286 -9.307 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU 1 29 -5.480 -8.492 0.651 1.00 0.00 H new ATOM 0 HD13 LEU 1 29 -4.515 -9.126 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU 1 29 -6.084 -11.766 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU 1 29 -4.306 -11.693 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU 1 29 -5.172 -12.703 0.250 1.00 0.00 H new ATOM 463 N GLN 1 30 -6.556 -11.285 3.506 1.00 0.00 N ATOM 464 CA GLN 1 30 -7.905 -11.795 3.724 1.00 0.00 C ATOM 465 C GLN 1 30 -8.986 -10.814 3.318 1.00 0.00 C ATOM 466 O GLN 1 30 -8.753 -9.612 3.251 1.00 0.00 O ATOM 467 CB GLN 1 30 -8.080 -12.088 5.220 1.00 0.00 C ATOM 468 CG GLN 1 30 -7.930 -13.547 5.595 1.00 0.00 C ATOM 469 CD GLN 1 30 -6.691 -14.142 4.990 1.00 0.00 C ATOM 470 OE1 GLN 1 30 -6.731 -14.330 3.687 1.00 0.00 O flip ATOM 471 NE2 GLN 1 30 -5.716 -14.434 5.683 1.00 0.00 N flip ATOM 0 H GLN 1 30 -6.422 -10.332 3.845 1.00 0.00 H new ATOM 0 HA GLN 1 30 -8.013 -12.687 3.107 1.00 0.00 H new ATOM 0 HB2 GLN 1 30 -7.349 -11.505 5.780 1.00 0.00 H new ATOM 0 HB3 GLN 1 30 -9.067 -11.745 5.532 1.00 0.00 H new ATOM 0 HG2 GLN 1 30 -7.890 -13.643 6.680 1.00 0.00 H new ATOM 0 HG3 GLN 1 30 -8.805 -14.103 5.258 1.00 0.00 H new ATOM 0 HE21 GLN 1 30 -5.737 -14.267 6.689 1.00 0.00 H new ATOM 0 HE22 GLN 1 30 -4.887 -14.842 5.251 1.00 0.00 H new ATOM 480 N LYS 1 31 -10.201 -11.327 3.120 1.00 0.00 N ATOM 481 CA LYS 1 31 -11.307 -10.443 2.831 1.00 0.00 C ATOM 482 C LYS 1 31 -11.556 -9.732 4.151 1.00 0.00 C ATOM 483 O LYS 1 31 -12.015 -10.337 5.120 1.00 0.00 O ATOM 484 CB LYS 1 31 -12.535 -11.232 2.363 1.00 0.00 C ATOM 485 CG LYS 1 31 -13.462 -10.486 1.404 1.00 0.00 C ATOM 486 CD LYS 1 31 -12.821 -9.258 0.772 1.00 0.00 C ATOM 487 CE LYS 1 31 -13.592 -8.810 -0.460 1.00 0.00 C ATOM 488 NZ LYS 1 31 -12.997 -7.594 -1.080 1.00 0.00 N ATOM 0 H LYS 1 31 -10.431 -12.320 3.155 1.00 0.00 H new ATOM 0 HA LYS 1 31 -11.095 -9.744 2.022 1.00 0.00 H new ATOM 0 HB2 LYS 1 31 -12.195 -12.147 1.877 1.00 0.00 H new ATOM 0 HB3 LYS 1 31 -13.110 -11.531 3.239 1.00 0.00 H new ATOM 0 HG2 LYS 1 31 -13.780 -11.167 0.615 1.00 0.00 H new ATOM 0 HG3 LYS 1 31 -14.360 -10.181 1.942 1.00 0.00 H new ATOM 0 HD2 LYS 1 31 -12.788 -8.447 1.499 1.00 0.00 H new ATOM 0 HD3 LYS 1 31 -11.790 -9.483 0.498 1.00 0.00 H new ATOM 0 HE2 LYS 1 31 -13.608 -9.618 -1.191 1.00 0.00 H new ATOM 0 HE3 LYS 1 31 -14.627 -8.607 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS 1 31 -13.757 -6.964 -1.408 1.00 0.00 H new ATOM 0 HZ2 LYS 1 31 -12.414 -7.096 -0.377 1.00 0.00 H new ATOM 0 HZ3 LYS 1 31 -12.404 -7.871 -1.888 1.00 0.00 H new ATOM 502 N ILE 1 32 -11.096 -8.496 4.224 1.00 0.00 N ATOM 503 CA ILE 1 32 -11.103 -7.755 5.475 1.00 0.00 C ATOM 504 C ILE 1 32 -11.823 -6.409 5.393 1.00 0.00 C ATOM 505 O ILE 1 32 -11.565 -5.598 4.508 1.00 0.00 O ATOM 506 CB ILE 1 32 -9.615 -7.589 5.857 1.00 0.00 C ATOM 507 CG1 ILE 1 32 -8.920 -8.948 5.709 1.00 0.00 C ATOM 508 CG2 ILE 1 32 -9.389 -7.011 7.237 1.00 0.00 C ATOM 509 CD1 ILE 1 32 -8.168 -9.387 6.920 1.00 0.00 C ATOM 0 H ILE 1 32 -10.712 -7.982 3.431 1.00 0.00 H new ATOM 0 HA ILE 1 32 -11.668 -8.298 6.233 1.00 0.00 H new ATOM 0 HB ILE 1 32 -9.183 -6.856 5.176 1.00 0.00 H new ATOM 0 HG12 ILE 1 32 -9.669 -9.702 5.468 1.00 0.00 H new ATOM 0 HG13 ILE 1 32 -8.232 -8.901 4.865 1.00 0.00 H new ATOM 0 HG21 ILE 1 32 -8.319 -6.928 7.426 1.00 0.00 H new ATOM 0 HG22 ILE 1 32 -9.846 -6.023 7.297 1.00 0.00 H new ATOM 0 HG23 ILE 1 32 -9.839 -7.665 7.984 1.00 0.00 H new ATOM 0 HD11 ILE 1 32 -7.707 -10.357 6.731 1.00 0.00 H new ATOM 0 HD12 ILE 1 32 -7.393 -8.656 7.152 1.00 0.00 H new ATOM 0 HD13 ILE 1 32 -8.853 -9.470 7.764 1.00 0.00 H new ATOM 521 N ASN 1 33 -12.736 -6.190 6.338 1.00 0.00 N ATOM 522 CA ASN 1 33 -13.518 -4.955 6.403 1.00 0.00 C ATOM 523 C ASN 1 33 -14.196 -4.660 5.068 1.00 0.00 C ATOM 524 O ASN 1 33 -14.351 -3.505 4.674 1.00 0.00 O ATOM 525 CB ASN 1 33 -12.640 -3.777 6.853 1.00 0.00 C ATOM 526 CG ASN 1 33 -11.805 -3.172 5.739 1.00 0.00 C ATOM 527 OD1 ASN 1 33 -12.281 -2.331 4.976 1.00 0.00 O ATOM 528 ND2 ASN 1 33 -10.547 -3.584 5.650 1.00 0.00 N ATOM 0 H ASN 1 33 -12.954 -6.859 7.076 1.00 0.00 H new ATOM 0 HA ASN 1 33 -14.303 -5.093 7.146 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 -13.278 -3.002 7.277 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 -11.976 -4.114 7.649 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 -9.935 -3.202 4.929 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 -10.192 -4.283 6.302 1.00 0.00 H new ATOM 535 N GLY 1 34 -14.612 -5.721 4.386 1.00 0.00 N ATOM 536 CA GLY 1 34 -15.278 -5.577 3.114 1.00 0.00 C ATOM 537 C GLY 1 34 -14.313 -5.367 1.962 1.00 0.00 C ATOM 538 O GLY 1 34 -14.732 -5.189 0.818 1.00 0.00 O ATOM 0 H GLY 1 34 -14.496 -6.685 4.699 1.00 0.00 H new ATOM 0 HA2 GLY 1 34 -15.878 -6.466 2.921 1.00 0.00 H new ATOM 0 HA3 GLY 1 34 -15.966 -4.733 3.163 1.00 0.00 H new ATOM 542 N ILE 1 35 -13.019 -5.391 2.264 1.00 0.00 N ATOM 543 CA ILE 1 35 -11.990 -5.206 1.250 1.00 0.00 C ATOM 544 C ILE 1 35 -10.827 -6.152 1.509 1.00 0.00 C ATOM 545 O ILE 1 35 -10.480 -6.420 2.654 1.00 0.00 O ATOM 546 CB ILE 1 35 -11.455 -3.752 1.220 1.00 0.00 C ATOM 547 CG1 ILE 1 35 -12.327 -2.821 2.075 1.00 0.00 C ATOM 548 CG2 ILE 1 35 -11.376 -3.246 -0.213 1.00 0.00 C ATOM 549 CD1 ILE 1 35 -13.672 -2.501 1.458 1.00 0.00 C ATOM 0 H ILE 1 35 -12.658 -5.537 3.207 1.00 0.00 H new ATOM 0 HA ILE 1 35 -12.449 -5.422 0.285 1.00 0.00 H new ATOM 0 HB ILE 1 35 -10.452 -3.753 1.646 1.00 0.00 H new ATOM 0 HG12 ILE 1 35 -12.486 -3.282 3.050 1.00 0.00 H new ATOM 0 HG13 ILE 1 35 -11.787 -1.890 2.247 1.00 0.00 H new ATOM 0 HG21 ILE 1 35 -10.999 -2.223 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE 1 35 -10.704 -3.883 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE 1 35 -12.369 -3.268 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE 1 35 -14.228 -1.839 2.121 1.00 0.00 H new ATOM 0 HD12 ILE 1 35 -13.524 -2.010 0.496 1.00 0.00 H new ATOM 0 HD13 ILE 1 35 -14.234 -3.424 1.311 1.00 0.00 H new ATOM 561 N TRP 1 36 -10.206 -6.644 0.448 1.00 0.00 N ATOM 562 CA TRP 1 36 -9.079 -7.550 0.604 1.00 0.00 C ATOM 563 C TRP 1 36 -7.962 -6.837 1.359 1.00 0.00 C ATOM 564 O TRP 1 36 -7.626 -5.704 1.034 1.00 0.00 O ATOM 565 CB TRP 1 36 -8.600 -8.024 -0.769 1.00 0.00 C ATOM 566 CG TRP 1 36 -9.621 -8.877 -1.459 1.00 0.00 C ATOM 567 CD1 TRP 1 36 -10.357 -8.548 -2.562 1.00 0.00 C ATOM 568 CD2 TRP 1 36 -10.047 -10.189 -1.070 1.00 0.00 C ATOM 569 NE1 TRP 1 36 -11.208 -9.577 -2.885 1.00 0.00 N ATOM 570 CE2 TRP 1 36 -11.036 -10.595 -1.984 1.00 0.00 C ATOM 571 CE3 TRP 1 36 -9.685 -11.060 -0.038 1.00 0.00 C ATOM 572 CZ2 TRP 1 36 -11.670 -11.833 -1.896 1.00 0.00 C ATOM 573 CZ3 TRP 1 36 -10.315 -12.289 0.048 1.00 0.00 C ATOM 574 CH2 TRP 1 36 -11.298 -12.664 -0.876 1.00 0.00 C ATOM 0 H TRP 1 36 -10.459 -6.435 -0.518 1.00 0.00 H new ATOM 0 HA TRP 1 36 -9.383 -8.426 1.177 1.00 0.00 H new ATOM 0 HB2 TRP 1 36 -8.371 -7.159 -1.391 1.00 0.00 H new ATOM 0 HB3 TRP 1 36 -7.674 -8.588 -0.655 1.00 0.00 H new ATOM 0 HD1 TRP 1 36 -10.281 -7.615 -3.101 1.00 0.00 H new ATOM 0 HE1 TRP 1 36 -11.862 -9.582 -3.668 1.00 0.00 H new ATOM 0 HE3 TRP 1 36 -8.928 -10.779 0.679 1.00 0.00 H new ATOM 0 HZ2 TRP 1 36 -12.428 -12.125 -2.608 1.00 0.00 H new ATOM 0 HZ3 TRP 1 36 -10.044 -12.970 0.841 1.00 0.00 H new ATOM 0 HH2 TRP 1 36 -11.772 -13.630 -0.781 1.00 0.00 H new ATOM 585 N GLN 1 37 -7.414 -7.483 2.386 1.00 0.00 N ATOM 586 CA GLN 1 37 -6.370 -6.862 3.186 1.00 0.00 C ATOM 587 C GLN 1 37 -5.076 -7.623 3.081 1.00 0.00 C ATOM 588 O GLN 1 37 -5.076 -8.830 2.923 1.00 0.00 O ATOM 589 CB GLN 1 37 -6.808 -6.780 4.639 1.00 0.00 C ATOM 590 CG GLN 1 37 -5.739 -6.309 5.598 1.00 0.00 C ATOM 591 CD GLN 1 37 -5.619 -7.155 6.874 1.00 0.00 C ATOM 592 OE1 GLN 1 37 -5.672 -6.640 7.991 1.00 0.00 O ATOM 593 NE2 GLN 1 37 -5.448 -8.455 6.727 1.00 0.00 N ATOM 0 H GLN 1 37 -7.674 -8.425 2.679 1.00 0.00 H new ATOM 0 HA GLN 1 37 -6.203 -5.856 2.801 1.00 0.00 H new ATOM 0 HB2 GLN 1 37 -7.662 -6.106 4.709 1.00 0.00 H new ATOM 0 HB3 GLN 1 37 -7.153 -7.764 4.956 1.00 0.00 H new ATOM 0 HG2 GLN 1 37 -4.778 -6.311 5.083 1.00 0.00 H new ATOM 0 HG3 GLN 1 37 -5.948 -5.277 5.879 1.00 0.00 H new ATOM 0 HE21 GLN 1 37 -5.407 -8.862 5.792 1.00 0.00 H new ATOM 0 HE22 GLN 1 37 -5.357 -9.053 7.548 1.00 0.00 H new ATOM 602 N VAL 1 38 -3.975 -6.893 3.142 1.00 0.00 N ATOM 603 CA VAL 1 38 -2.664 -7.493 2.999 1.00 0.00 C ATOM 604 C VAL 1 38 -1.797 -7.419 4.247 1.00 0.00 C ATOM 605 O VAL 1 38 -1.909 -6.482 5.053 1.00 0.00 O ATOM 606 CB VAL 1 38 -1.917 -6.800 1.845 1.00 0.00 C ATOM 607 CG1 VAL 1 38 -0.617 -7.527 1.547 1.00 0.00 C ATOM 608 CG2 VAL 1 38 -2.800 -6.748 0.609 1.00 0.00 C ATOM 0 H VAL 1 38 -3.965 -5.884 3.290 1.00 0.00 H new ATOM 0 HA VAL 1 38 -2.838 -8.551 2.803 1.00 0.00 H new ATOM 0 HB VAL 1 38 -1.677 -5.779 2.142 1.00 0.00 H new ATOM 0 HG11 VAL 1 38 -0.099 -7.026 0.729 1.00 0.00 H new ATOM 0 HG12 VAL 1 38 0.015 -7.520 2.435 1.00 0.00 H new ATOM 0 HG13 VAL 1 38 -0.833 -8.557 1.263 1.00 0.00 H new ATOM 0 HG21 VAL 1 38 -2.263 -6.256 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL 1 38 -3.063 -7.762 0.307 1.00 0.00 H new ATOM 0 HG23 VAL 1 38 -3.708 -6.189 0.834 1.00 0.00 H new ATOM 618 N ARG 1 39 -0.917 -8.428 4.374 1.00 0.00 N ATOM 619 CA ARG 1 39 0.023 -8.518 5.480 1.00 0.00 C ATOM 620 C ARG 1 39 1.359 -9.116 5.027 1.00 0.00 C ATOM 621 O ARG 1 39 1.380 -10.062 4.239 1.00 0.00 O ATOM 622 CB ARG 1 39 -0.559 -9.373 6.605 1.00 0.00 C ATOM 623 CG ARG 1 39 -1.829 -8.807 7.187 1.00 0.00 C ATOM 624 CD ARG 1 39 -2.775 -9.902 7.655 1.00 0.00 C ATOM 625 NE ARG 1 39 -2.086 -10.939 8.420 1.00 0.00 N ATOM 626 CZ ARG 1 39 -2.703 -11.976 8.980 1.00 0.00 C ATOM 627 NH1 ARG 1 39 -4.014 -12.127 8.843 1.00 0.00 N ATOM 628 NH2 ARG 1 39 -2.009 -12.869 9.671 1.00 0.00 N ATOM 0 H ARG 1 39 -0.846 -9.198 3.708 1.00 0.00 H new ATOM 0 HA ARG 1 39 0.200 -7.506 5.845 1.00 0.00 H new ATOM 0 HB2 ARG 1 39 -0.757 -10.375 6.225 1.00 0.00 H new ATOM 0 HB3 ARG 1 39 0.183 -9.473 7.397 1.00 0.00 H new ATOM 0 HG2 ARG 1 39 -1.585 -8.155 8.026 1.00 0.00 H new ATOM 0 HG3 ARG 1 39 -2.328 -8.191 6.439 1.00 0.00 H new ATOM 0 HD2 ARG 1 39 -3.561 -9.462 8.269 1.00 0.00 H new ATOM 0 HD3 ARG 1 39 -3.261 -10.354 6.790 1.00 0.00 H new ATOM 0 HE ARG 1 39 -1.075 -10.863 8.531 1.00 0.00 H new ATOM 0 HH11 ARG 1 39 -4.552 -11.447 8.307 1.00 0.00 H new ATOM 0 HH12 ARG 1 39 -4.483 -12.923 9.274 1.00 0.00 H new ATOM 0 HH21 ARG 1 39 -1.000 -12.762 9.774 1.00 0.00 H new ATOM 0 HH22 ARG 1 39 -2.484 -13.663 10.100 1.00 0.00 H new ATOM 642 N ASN 1 40 2.467 -8.633 5.594 1.00 0.00 N ATOM 643 CA ASN 1 40 3.767 -9.199 5.310 1.00 0.00 C ATOM 644 C ASN 1 40 4.479 -9.417 6.604 1.00 0.00 C ATOM 645 O ASN 1 40 4.239 -8.747 7.589 1.00 0.00 O ATOM 646 CB ASN 1 40 4.702 -8.384 4.425 1.00 0.00 C ATOM 647 CG ASN 1 40 4.064 -7.253 3.666 1.00 0.00 C ATOM 648 OD1 ASN 1 40 2.899 -7.318 3.276 1.00 0.00 O ATOM 649 ND2 ASN 1 40 4.843 -6.205 3.455 1.00 0.00 N ATOM 0 H ASN 1 40 2.479 -7.852 6.250 1.00 0.00 H new ATOM 0 HA ASN 1 40 3.544 -10.107 4.749 1.00 0.00 H new ATOM 0 HB2 ASN 1 40 5.497 -7.975 5.048 1.00 0.00 H new ATOM 0 HB3 ASN 1 40 5.173 -9.057 3.709 1.00 0.00 H new ATOM 0 HD21 ASN 1 40 4.484 -5.397 2.946 1.00 0.00 H new ATOM 0 HD22 ASN 1 40 5.802 -6.205 3.801 1.00 0.00 H new ATOM 656 N ASN 1 41 5.343 -10.363 6.571 1.00 0.00 N ATOM 657 CA ASN 1 41 6.133 -10.730 7.723 1.00 0.00 C ATOM 658 C ASN 1 41 7.038 -9.581 8.203 1.00 0.00 C ATOM 659 O ASN 1 41 7.556 -9.629 9.319 1.00 0.00 O ATOM 660 CB ASN 1 41 6.996 -11.957 7.388 1.00 0.00 C ATOM 661 CG ASN 1 41 7.412 -11.986 5.924 1.00 0.00 C ATOM 662 OD1 ASN 1 41 7.533 -10.803 5.343 1.00 0.00 O flip ATOM 663 ND2 ASN 1 41 7.619 -13.048 5.337 1.00 0.00 N flip ATOM 0 H ASN 1 41 5.536 -10.921 5.740 1.00 0.00 H new ATOM 0 HA ASN 1 41 5.441 -10.962 8.532 1.00 0.00 H new ATOM 0 HB2 ASN 1 41 7.886 -11.955 8.017 1.00 0.00 H new ATOM 0 HB3 ASN 1 41 6.441 -12.865 7.624 1.00 0.00 H new ATOM 0 HD21 ASN 1 41 7.511 -13.934 5.832 1.00 0.00 H new ATOM 0 HD22 ASN 1 41 7.898 -13.042 4.356 1.00 0.00 H new ATOM 670 N ILE 1 42 7.245 -8.558 7.362 1.00 0.00 N ATOM 671 CA ILE 1 42 8.088 -7.452 7.712 1.00 0.00 C ATOM 672 C ILE 1 42 7.317 -6.409 8.483 1.00 0.00 C ATOM 673 O ILE 1 42 7.722 -5.974 9.562 1.00 0.00 O ATOM 674 CB ILE 1 42 8.627 -6.788 6.458 1.00 0.00 C ATOM 675 CG1 ILE 1 42 9.220 -7.827 5.538 1.00 0.00 C ATOM 676 CG2 ILE 1 42 9.640 -5.746 6.824 1.00 0.00 C ATOM 677 CD1 ILE 1 42 8.243 -8.252 4.481 1.00 0.00 C ATOM 0 H ILE 1 42 6.828 -8.492 6.433 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.901 -7.843 8.324 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.810 -6.295 5.931 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 10.117 -7.426 5.065 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 9.528 -8.696 6.120 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 10.021 -5.275 5.918 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.173 -4.991 7.457 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 10.464 -6.213 7.364 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 8.706 -9.001 3.838 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 7.358 -8.677 4.954 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.955 -7.387 3.883 1.00 0.00 H new ATOM 689 N LEU 1 43 6.184 -6.027 7.917 1.00 0.00 N ATOM 690 CA LEU 1 43 5.327 -5.056 8.539 1.00 0.00 C ATOM 691 C LEU 1 43 4.182 -5.746 9.245 1.00 0.00 C ATOM 692 O LEU 1 43 3.434 -5.113 9.986 1.00 0.00 O ATOM 693 CB LEU 1 43 4.761 -4.077 7.519 1.00 0.00 C ATOM 694 CG LEU 1 43 5.782 -3.377 6.624 1.00 0.00 C ATOM 695 CD1 LEU 1 43 7.143 -3.273 7.299 1.00 0.00 C ATOM 696 CD2 LEU 1 43 5.890 -4.081 5.284 1.00 0.00 C ATOM 0 H LEU 1 43 5.843 -6.382 7.023 1.00 0.00 H new ATOM 0 HA LEU 1 43 5.930 -4.502 9.259 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 4.057 -4.613 6.883 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 4.193 -3.315 8.053 1.00 0.00 H new ATOM 0 HG LEU 1 43 5.429 -2.361 6.450 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 7.843 -2.769 6.632 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 7.048 -2.703 8.223 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 7.514 -4.273 7.526 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 6.622 -3.567 4.661 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 6.206 -5.113 5.439 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 4.920 -4.070 4.788 1.00 0.00 H new ATOM 708 N VAL 1 44 4.021 -7.047 9.004 1.00 0.00 N ATOM 709 CA VAL 1 44 2.934 -7.767 9.630 1.00 0.00 C ATOM 710 C VAL 1 44 3.289 -9.205 9.894 1.00 0.00 C ATOM 711 O VAL 1 44 2.765 -10.122 9.261 1.00 0.00 O ATOM 712 CB VAL 1 44 1.651 -7.706 8.820 1.00 0.00 C ATOM 713 CG1 VAL 1 44 0.456 -7.964 9.724 1.00 0.00 C ATOM 714 CG2 VAL 1 44 1.533 -6.370 8.117 1.00 0.00 C ATOM 0 H VAL 1 44 4.618 -7.605 8.394 1.00 0.00 H new ATOM 0 HA VAL 1 44 2.762 -7.264 10.582 1.00 0.00 H new ATOM 0 HB VAL 1 44 1.673 -8.482 8.054 1.00 0.00 H new ATOM 0 HG11 VAL 1 44 -0.461 -7.919 9.137 1.00 0.00 H new ATOM 0 HG12 VAL 1 44 0.549 -8.951 10.177 1.00 0.00 H new ATOM 0 HG13 VAL 1 44 0.423 -7.207 10.508 1.00 0.00 H new ATOM 0 HG21 VAL 1 44 0.608 -6.342 7.541 1.00 0.00 H new ATOM 0 HG22 VAL 1 44 1.524 -5.569 8.857 1.00 0.00 H new ATOM 0 HG23 VAL 1 44 2.382 -6.235 7.447 1.00 0.00 H new ATOM 724 N PRO 1 45 4.168 -9.416 10.861 1.00 0.00 N ATOM 725 CA PRO 1 45 4.581 -10.744 11.262 1.00 0.00 C ATOM 726 C PRO 1 45 3.356 -11.603 11.484 1.00 0.00 C ATOM 727 O PRO 1 45 3.351 -12.806 11.230 1.00 0.00 O ATOM 728 CB PRO 1 45 5.305 -10.458 12.570 1.00 0.00 C ATOM 729 CG PRO 1 45 5.875 -9.117 12.382 1.00 0.00 C ATOM 730 CD PRO 1 45 4.797 -8.374 11.677 1.00 0.00 C ATOM 0 HA PRO 1 45 5.196 -11.278 10.538 1.00 0.00 H new ATOM 0 HB2 PRO 1 45 4.620 -10.484 13.418 1.00 0.00 H new ATOM 0 HB3 PRO 1 45 6.082 -11.197 12.765 1.00 0.00 H new ATOM 0 HG2 PRO 1 45 6.126 -8.651 13.335 1.00 0.00 H new ATOM 0 HG3 PRO 1 45 6.791 -9.150 11.792 1.00 0.00 H new ATOM 0 HD2 PRO 1 45 4.091 -7.925 12.376 1.00 0.00 H new ATOM 0 HD3 PRO 1 45 5.196 -7.566 11.064 1.00 0.00 H new ATOM 738 N THR 1 46 2.308 -10.926 11.937 1.00 0.00 N ATOM 739 CA THR 1 46 1.018 -11.545 12.200 1.00 0.00 C ATOM 740 C THR 1 46 0.088 -10.587 12.946 1.00 0.00 C ATOM 741 O THR 1 46 0.542 -9.721 13.695 1.00 0.00 O ATOM 742 CB THR 1 46 1.199 -12.825 13.024 1.00 0.00 C ATOM 743 OG1 THR 1 46 0.005 -13.586 13.038 1.00 0.00 O ATOM 744 CG2 THR 1 46 1.593 -12.567 14.463 1.00 0.00 C ATOM 0 H THR 1 46 2.331 -9.925 12.133 1.00 0.00 H new ATOM 0 HA THR 1 46 0.567 -11.792 11.239 1.00 0.00 H new ATOM 0 HB THR 1 46 2.009 -13.366 12.535 1.00 0.00 H new ATOM 0 HG1 THR 1 46 -0.602 -13.230 13.720 1.00 0.00 H new ATOM 0 HG21 THR 1 46 1.704 -13.517 14.986 1.00 0.00 H new ATOM 0 HG22 THR 1 46 2.539 -12.026 14.490 1.00 0.00 H new ATOM 0 HG23 THR 1 46 0.821 -11.972 14.951 1.00 0.00 H new ATOM 752 N ASP 1 47 -1.219 -10.786 12.777 1.00 0.00 N ATOM 753 CA ASP 1 47 -2.230 -9.976 13.475 1.00 0.00 C ATOM 754 C ASP 1 47 -2.365 -8.546 12.963 1.00 0.00 C ATOM 755 O ASP 1 47 -2.314 -7.597 13.749 1.00 0.00 O ATOM 756 CB ASP 1 47 -1.897 -9.880 14.945 1.00 0.00 C ATOM 757 CG ASP 1 47 -1.219 -11.120 15.501 1.00 0.00 C ATOM 758 OD1 ASP 1 47 -1.757 -12.229 15.303 1.00 0.00 O ATOM 759 OD2 ASP 1 47 -0.152 -10.981 16.135 1.00 0.00 O ATOM 0 H ASP 1 47 -1.608 -11.501 12.163 1.00 0.00 H new ATOM 0 HA ASP 1 47 -3.171 -10.494 13.288 1.00 0.00 H new ATOM 0 HB2 ASP 1 47 -1.248 -9.019 15.106 1.00 0.00 H new ATOM 0 HB3 ASP 1 47 -2.814 -9.697 15.505 1.00 0.00 H new ATOM 764 N PHE 1 48 -2.629 -8.378 11.685 1.00 0.00 N ATOM 765 CA PHE 1 48 -2.840 -7.072 11.138 1.00 0.00 C ATOM 766 C PHE 1 48 -4.264 -6.696 11.436 1.00 0.00 C ATOM 767 O PHE 1 48 -5.183 -7.332 10.935 1.00 0.00 O ATOM 768 CB PHE 1 48 -2.623 -7.091 9.634 1.00 0.00 C ATOM 769 CG PHE 1 48 -1.886 -5.907 9.058 1.00 0.00 C ATOM 770 CD1 PHE 1 48 -1.364 -4.898 9.854 1.00 0.00 C ATOM 771 CD2 PHE 1 48 -1.698 -5.829 7.694 1.00 0.00 C ATOM 772 CE1 PHE 1 48 -0.679 -3.841 9.283 1.00 0.00 C ATOM 773 CE2 PHE 1 48 -1.015 -4.783 7.127 1.00 0.00 C ATOM 774 CZ PHE 1 48 -0.507 -3.785 7.920 1.00 0.00 C ATOM 0 H PHE 1 48 -2.701 -9.139 11.010 1.00 0.00 H new ATOM 0 HA PHE 1 48 -2.142 -6.356 11.572 1.00 0.00 H new ATOM 0 HB2 PHE 1 48 -2.073 -7.996 9.377 1.00 0.00 H new ATOM 0 HB3 PHE 1 48 -3.596 -7.160 9.147 1.00 0.00 H new ATOM 0 HD1 PHE 1 48 -1.493 -4.938 10.925 1.00 0.00 H new ATOM 0 HD2 PHE 1 48 -2.096 -6.607 7.060 1.00 0.00 H new ATOM 0 HE1 PHE 1 48 -0.278 -3.058 9.909 1.00 0.00 H new ATOM 0 HE2 PHE 1 48 -0.877 -4.745 6.057 1.00 0.00 H new ATOM 0 HZ PHE 1 48 0.026 -2.958 7.475 1.00 0.00 H new ATOM 784 N THR 1 49 -4.454 -5.708 12.272 1.00 0.00 N ATOM 785 CA THR 1 49 -5.799 -5.307 12.641 1.00 0.00 C ATOM 786 C THR 1 49 -6.666 -5.180 11.409 1.00 0.00 C ATOM 787 O THR 1 49 -6.756 -4.122 10.789 1.00 0.00 O ATOM 788 CB THR 1 49 -5.822 -3.988 13.391 1.00 0.00 C ATOM 789 OG1 THR 1 49 -4.613 -3.763 14.096 1.00 0.00 O ATOM 790 CG2 THR 1 49 -6.945 -3.908 14.383 1.00 0.00 C ATOM 0 H THR 1 49 -3.708 -5.168 12.709 1.00 0.00 H new ATOM 0 HA THR 1 49 -6.187 -6.083 13.300 1.00 0.00 H new ATOM 0 HB THR 1 49 -5.960 -3.228 12.622 1.00 0.00 H new ATOM 0 HG1 THR 1 49 -4.579 -2.831 14.397 1.00 0.00 H new ATOM 0 HG21 THR 1 49 -6.914 -2.944 14.891 1.00 0.00 H new ATOM 0 HG22 THR 1 49 -7.897 -4.014 13.864 1.00 0.00 H new ATOM 0 HG23 THR 1 49 -6.840 -4.708 15.116 1.00 0.00 H new ATOM 798 N TRP 1 50 -7.325 -6.273 11.088 1.00 0.00 N ATOM 799 CA TRP 1 50 -8.224 -6.338 9.949 1.00 0.00 C ATOM 800 C TRP 1 50 -9.143 -5.119 9.920 1.00 0.00 C ATOM 801 O TRP 1 50 -9.638 -4.706 8.872 1.00 0.00 O ATOM 802 CB TRP 1 50 -9.106 -7.574 10.095 1.00 0.00 C ATOM 803 CG TRP 1 50 -8.460 -8.897 9.800 1.00 0.00 C ATOM 804 CD1 TRP 1 50 -7.125 -9.166 9.714 1.00 0.00 C ATOM 805 CD2 TRP 1 50 -9.134 -10.144 9.561 1.00 0.00 C ATOM 806 NE1 TRP 1 50 -6.927 -10.496 9.432 1.00 0.00 N ATOM 807 CE2 TRP 1 50 -8.144 -11.118 9.336 1.00 0.00 C ATOM 808 CE3 TRP 1 50 -10.477 -10.527 9.515 1.00 0.00 C ATOM 809 CZ2 TRP 1 50 -8.454 -12.448 9.068 1.00 0.00 C ATOM 810 CZ3 TRP 1 50 -10.784 -11.849 9.249 1.00 0.00 C ATOM 811 CH2 TRP 1 50 -9.776 -12.795 9.028 1.00 0.00 C ATOM 0 H TRP 1 50 -7.254 -7.146 11.610 1.00 0.00 H new ATOM 0 HA TRP 1 50 -7.629 -6.373 9.036 1.00 0.00 H new ATOM 0 HB2 TRP 1 50 -9.489 -7.601 11.115 1.00 0.00 H new ATOM 0 HB3 TRP 1 50 -9.966 -7.459 9.435 1.00 0.00 H new ATOM 0 HD1 TRP 1 50 -6.338 -8.439 9.848 1.00 0.00 H new ATOM 0 HE1 TRP 1 50 -6.020 -10.948 9.313 1.00 0.00 H new ATOM 0 HE3 TRP 1 50 -11.261 -9.804 9.684 1.00 0.00 H new ATOM 0 HZ2 TRP 1 50 -7.678 -13.180 8.898 1.00 0.00 H new ATOM 0 HZ3 TRP 1 50 -11.819 -12.157 9.211 1.00 0.00 H new ATOM 0 HH2 TRP 1 50 -10.048 -13.820 8.822 1.00 0.00 H new ATOM 822 N VAL 1 51 -9.382 -4.578 11.102 1.00 0.00 N ATOM 823 CA VAL 1 51 -10.259 -3.435 11.279 1.00 0.00 C ATOM 824 C VAL 1 51 -9.867 -2.287 10.393 1.00 0.00 C ATOM 825 O VAL 1 51 -10.673 -1.743 9.638 1.00 0.00 O ATOM 826 CB VAL 1 51 -10.276 -2.954 12.750 1.00 0.00 C ATOM 827 CG1 VAL 1 51 -9.044 -2.127 13.100 1.00 0.00 C ATOM 828 CG2 VAL 1 51 -11.535 -2.157 13.036 1.00 0.00 C ATOM 0 H VAL 1 51 -8.971 -4.921 11.970 1.00 0.00 H new ATOM 0 HA VAL 1 51 -11.258 -3.771 11.000 1.00 0.00 H new ATOM 0 HB VAL 1 51 -10.263 -3.846 13.377 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -9.101 -1.812 14.142 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -8.147 -2.729 12.951 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -9.001 -1.248 12.457 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -11.529 -1.827 14.075 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -11.572 -1.287 12.380 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -12.410 -2.783 12.859 1.00 0.00 H new ATOM 838 N ASP 1 52 -8.631 -1.902 10.537 1.00 0.00 N ATOM 839 CA ASP 1 52 -8.110 -0.778 9.802 1.00 0.00 C ATOM 840 C ASP 1 52 -6.610 -0.830 9.610 1.00 0.00 C ATOM 841 O ASP 1 52 -6.051 -0.044 8.849 1.00 0.00 O ATOM 842 CB ASP 1 52 -8.458 0.480 10.562 1.00 0.00 C ATOM 843 CG ASP 1 52 -8.065 1.745 9.825 1.00 0.00 C ATOM 844 OD1 ASP 1 52 -7.850 1.673 8.597 1.00 0.00 O ATOM 845 OD2 ASP 1 52 -7.969 2.808 10.476 1.00 0.00 O ATOM 0 H ASP 1 52 -7.960 -2.351 11.160 1.00 0.00 H new ATOM 0 HA ASP 1 52 -8.557 -0.798 8.808 1.00 0.00 H new ATOM 0 HB2 ASP 1 52 -9.531 0.497 10.754 1.00 0.00 H new ATOM 0 HB3 ASP 1 52 -7.960 0.462 11.532 1.00 0.00 H new ATOM 850 N ASN 1 53 -5.958 -1.728 10.309 1.00 0.00 N ATOM 851 CA ASN 1 53 -4.515 -1.825 10.212 1.00 0.00 C ATOM 852 C ASN 1 53 -4.116 -2.738 9.104 1.00 0.00 C ATOM 853 O ASN 1 53 -2.983 -2.704 8.626 1.00 0.00 O ATOM 854 CB ASN 1 53 -3.900 -2.276 11.529 1.00 0.00 C ATOM 855 CG ASN 1 53 -4.241 -1.377 12.721 1.00 0.00 C ATOM 856 OD1 ASN 1 53 -3.716 -1.580 13.817 1.00 0.00 O ATOM 857 ND2 ASN 1 53 -5.102 -0.374 12.531 1.00 0.00 N ATOM 0 H ASN 1 53 -6.394 -2.396 10.945 1.00 0.00 H new ATOM 0 HA ASN 1 53 -4.132 -0.829 9.989 1.00 0.00 H new ATOM 0 HB2 ASN 1 53 -4.236 -3.290 11.745 1.00 0.00 H new ATOM 0 HB3 ASN 1 53 -2.817 -2.316 11.416 1.00 0.00 H new ATOM 0 HD21 ASN 1 53 -5.340 0.247 13.304 1.00 0.00 H new ATOM 0 HD22 ASN 1 53 -5.522 -0.229 11.613 1.00 0.00 H new ATOM 864 N GLY 1 54 -5.065 -3.489 8.644 1.00 0.00 N ATOM 865 CA GLY 1 54 -4.832 -4.317 7.556 1.00 0.00 C ATOM 866 C GLY 1 54 -4.863 -3.493 6.309 1.00 0.00 C ATOM 867 O GLY 1 54 -5.628 -2.533 6.209 1.00 0.00 O ATOM 0 H GLY 1 54 -6.010 -3.530 9.025 1.00 0.00 H new ATOM 0 HA2 GLY 1 54 -3.866 -4.811 7.658 1.00 0.00 H new ATOM 0 HA3 GLY 1 54 -5.588 -5.101 7.509 1.00 0.00 H new ATOM 871 N ILE 1 55 -4.032 -3.839 5.375 1.00 0.00 N ATOM 872 CA ILE 1 55 -3.965 -3.083 4.139 1.00 0.00 C ATOM 873 C ILE 1 55 -5.034 -3.514 3.157 1.00 0.00 C ATOM 874 O ILE 1 55 -5.042 -4.641 2.707 1.00 0.00 O ATOM 875 CB ILE 1 55 -2.599 -3.224 3.427 1.00 0.00 C ATOM 876 CG1 ILE 1 55 -2.771 -3.278 1.930 1.00 0.00 C ATOM 877 CG2 ILE 1 55 -1.835 -4.409 3.879 1.00 0.00 C ATOM 878 CD1 ILE 1 55 -2.668 -1.926 1.321 1.00 0.00 C ATOM 0 H ILE 1 55 -3.392 -4.631 5.433 1.00 0.00 H new ATOM 0 HA ILE 1 55 -4.116 -2.045 4.436 1.00 0.00 H new ATOM 0 HB ILE 1 55 -2.026 -2.337 3.698 1.00 0.00 H new ATOM 0 HG12 ILE 1 55 -2.012 -3.931 1.499 1.00 0.00 H new ATOM 0 HG13 ILE 1 55 -3.741 -3.714 1.690 1.00 0.00 H new ATOM 0 HG21 ILE 1 55 -0.886 -4.456 3.345 1.00 0.00 H new ATOM 0 HG22 ILE 1 55 -1.645 -4.333 4.950 1.00 0.00 H new ATOM 0 HG23 ILE 1 55 -2.410 -5.312 3.676 1.00 0.00 H new ATOM 0 HD11 ILE 1 55 -2.797 -2.003 0.241 1.00 0.00 H new ATOM 0 HD12 ILE 1 55 -3.443 -1.281 1.734 1.00 0.00 H new ATOM 0 HD13 ILE 1 55 -1.688 -1.502 1.540 1.00 0.00 H new ATOM 890 N ALA 1 56 -5.913 -2.603 2.776 1.00 0.00 N ATOM 891 CA ALA 1 56 -6.908 -2.945 1.794 1.00 0.00 C ATOM 892 C ALA 1 56 -6.221 -3.123 0.466 1.00 0.00 C ATOM 893 O ALA 1 56 -6.056 -2.181 -0.303 1.00 0.00 O ATOM 894 CB ALA 1 56 -8.022 -1.913 1.730 1.00 0.00 C ATOM 0 H ALA 1 56 -5.953 -1.646 3.126 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.393 -3.879 2.077 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -8.751 -2.211 0.976 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -8.512 -1.845 2.701 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.603 -0.942 1.466 1.00 0.00 H new ATOM 900 N ALA 1 57 -5.764 -4.343 0.245 1.00 0.00 N ATOM 901 CA ALA 1 57 -5.021 -4.691 -0.944 1.00 0.00 C ATOM 902 C ALA 1 57 -5.452 -3.924 -2.193 1.00 0.00 C ATOM 903 O ALA 1 57 -4.625 -3.584 -3.036 1.00 0.00 O ATOM 904 CB ALA 1 57 -5.088 -6.182 -1.199 1.00 0.00 C ATOM 0 H ALA 1 57 -5.901 -5.121 0.891 1.00 0.00 H new ATOM 0 HA ALA 1 57 -3.991 -4.395 -0.744 1.00 0.00 H new ATOM 0 HB1 ALA 1 57 -4.522 -6.423 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA 1 57 -4.663 -6.716 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA 1 57 -6.127 -6.482 -1.333 1.00 0.00 H new ATOM 910 N ASP 1 58 -6.739 -3.649 -2.314 1.00 0.00 N ATOM 911 CA ASP 1 58 -7.252 -2.923 -3.469 1.00 0.00 C ATOM 912 C ASP 1 58 -6.512 -1.604 -3.642 1.00 0.00 C ATOM 913 O ASP 1 58 -6.263 -1.156 -4.762 1.00 0.00 O ATOM 914 CB ASP 1 58 -8.738 -2.677 -3.317 1.00 0.00 C ATOM 915 CG ASP 1 58 -9.401 -2.290 -4.624 1.00 0.00 C ATOM 916 OD1 ASP 1 58 -8.753 -1.596 -5.435 1.00 0.00 O ATOM 917 OD2 ASP 1 58 -10.567 -2.683 -4.838 1.00 0.00 O ATOM 0 H ASP 1 58 -7.448 -3.915 -1.631 1.00 0.00 H new ATOM 0 HA ASP 1 58 -7.088 -3.530 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP 1 58 -9.213 -3.576 -2.925 1.00 0.00 H new ATOM 0 HB3 ASP 1 58 -8.899 -1.886 -2.584 1.00 0.00 H new ATOM 922 N ASP 1 59 -6.165 -0.991 -2.518 1.00 0.00 N ATOM 923 CA ASP 1 59 -5.451 0.263 -2.508 1.00 0.00 C ATOM 924 C ASP 1 59 -4.038 0.107 -3.062 1.00 0.00 C ATOM 925 O ASP 1 59 -3.463 1.069 -3.573 1.00 0.00 O ATOM 926 CB ASP 1 59 -5.379 0.797 -1.077 1.00 0.00 C ATOM 927 CG ASP 1 59 -6.587 0.433 -0.236 1.00 0.00 C ATOM 928 OD1 ASP 1 59 -7.716 0.481 -0.764 1.00 0.00 O ATOM 929 OD2 ASP 1 59 -6.400 0.096 0.952 1.00 0.00 O ATOM 0 H ASP 1 59 -6.375 -1.357 -1.589 1.00 0.00 H new ATOM 0 HA ASP 1 59 -5.990 0.964 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP 1 59 -4.481 0.408 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP 1 59 -5.280 1.882 -1.107 1.00 0.00 H new ATOM 934 N VAL 1 60 -3.461 -1.091 -2.947 1.00 0.00 N ATOM 935 CA VAL 1 60 -2.123 -1.311 -3.428 1.00 0.00 C ATOM 936 C VAL 1 60 -2.095 -1.978 -4.783 1.00 0.00 C ATOM 937 O VAL 1 60 -3.117 -2.089 -5.462 1.00 0.00 O ATOM 938 CB VAL 1 60 -1.312 -2.118 -2.439 1.00 0.00 C ATOM 939 CG1 VAL 1 60 -1.279 -1.400 -1.118 1.00 0.00 C ATOM 940 CG2 VAL 1 60 -1.866 -3.514 -2.320 1.00 0.00 C ATOM 0 H VAL 1 60 -3.905 -1.907 -2.527 1.00 0.00 H new ATOM 0 HA VAL 1 60 -1.673 -0.324 -3.537 1.00 0.00 H new ATOM 0 HB VAL 1 60 -0.285 -2.216 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL 1 60 -0.695 -1.980 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL 1 60 -0.823 -0.419 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL 1 60 -2.296 -1.280 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL 1 60 -1.271 -4.082 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL 1 60 -2.899 -3.467 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL 1 60 -1.829 -4.004 -3.293 1.00 0.00 H new ATOM 950 N ILE 1 61 -0.902 -2.363 -5.195 1.00 0.00 N ATOM 951 CA ILE 1 61 -0.703 -2.948 -6.483 1.00 0.00 C ATOM 952 C ILE 1 61 0.389 -3.997 -6.471 1.00 0.00 C ATOM 953 O ILE 1 61 1.567 -3.683 -6.344 1.00 0.00 O ATOM 954 CB ILE 1 61 -0.356 -1.843 -7.446 1.00 0.00 C ATOM 955 CG1 ILE 1 61 0.034 -0.609 -6.681 1.00 0.00 C ATOM 956 CG2 ILE 1 61 -1.578 -1.512 -8.222 1.00 0.00 C ATOM 957 CD1 ILE 1 61 1.188 0.138 -7.258 1.00 0.00 C ATOM 0 H ILE 1 61 -0.052 -2.274 -4.638 1.00 0.00 H new ATOM 0 HA ILE 1 61 -1.618 -3.456 -6.787 1.00 0.00 H new ATOM 0 HB ILE 1 61 0.462 -2.163 -8.091 1.00 0.00 H new ATOM 0 HG12 ILE 1 61 -0.826 0.059 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE 1 61 0.277 -0.893 -5.657 1.00 0.00 H new ATOM 0 HG21 ILE 1 61 -1.355 -0.713 -8.929 1.00 0.00 H new ATOM 0 HG22 ILE 1 61 -1.913 -2.395 -8.766 1.00 0.00 H new ATOM 0 HG23 ILE 1 61 -2.364 -1.185 -7.541 1.00 0.00 H new ATOM 0 HD11 ILE 1 61 1.400 1.012 -6.643 1.00 0.00 H new ATOM 0 HD12 ILE 1 61 2.065 -0.509 -7.283 1.00 0.00 H new ATOM 0 HD13 ILE 1 61 0.944 0.458 -8.271 1.00 0.00 H new ATOM 969 N GLU 1 62 -0.019 -5.240 -6.604 1.00 0.00 N ATOM 970 CA GLU 1 62 0.900 -6.361 -6.592 1.00 0.00 C ATOM 971 C GLU 1 62 1.852 -6.356 -7.773 1.00 0.00 C ATOM 972 O GLU 1 62 1.441 -6.327 -8.932 1.00 0.00 O ATOM 973 CB GLU 1 62 0.122 -7.677 -6.552 1.00 0.00 C ATOM 974 CG GLU 1 62 -1.196 -7.666 -7.316 1.00 0.00 C ATOM 975 CD GLU 1 62 -1.058 -7.111 -8.718 1.00 0.00 C ATOM 976 OE1 GLU 1 62 -1.113 -5.873 -8.871 1.00 0.00 O ATOM 977 OE2 GLU 1 62 -0.891 -7.913 -9.661 1.00 0.00 O ATOM 0 H GLU 1 62 -0.997 -5.504 -6.724 1.00 0.00 H new ATOM 0 HA GLU 1 62 1.509 -6.262 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU 1 62 0.753 -8.468 -6.957 1.00 0.00 H new ATOM 0 HB3 GLU 1 62 -0.080 -7.931 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU 1 62 -1.588 -8.682 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU 1 62 -1.925 -7.072 -6.765 1.00 0.00 H new ATOM 984 N VAL 1 63 3.140 -6.403 -7.464 1.00 0.00 N ATOM 985 CA VAL 1 63 4.156 -6.432 -8.492 1.00 0.00 C ATOM 986 C VAL 1 63 4.793 -7.813 -8.571 1.00 0.00 C ATOM 987 O VAL 1 63 4.622 -8.634 -7.670 1.00 0.00 O ATOM 988 CB VAL 1 63 5.270 -5.418 -8.209 1.00 0.00 C ATOM 989 CG1 VAL 1 63 4.813 -3.994 -8.469 1.00 0.00 C ATOM 990 CG2 VAL 1 63 5.772 -5.576 -6.786 1.00 0.00 C ATOM 0 H VAL 1 63 3.500 -6.422 -6.510 1.00 0.00 H new ATOM 0 HA VAL 1 63 3.664 -6.181 -9.432 1.00 0.00 H new ATOM 0 HB VAL 1 63 6.092 -5.621 -8.895 1.00 0.00 H new ATOM 0 HG11 VAL 1 63 5.631 -3.305 -8.257 1.00 0.00 H new ATOM 0 HG12 VAL 1 63 4.514 -3.893 -9.512 1.00 0.00 H new ATOM 0 HG13 VAL 1 63 3.965 -3.760 -7.825 1.00 0.00 H new ATOM 0 HG21 VAL 1 63 6.563 -4.850 -6.597 1.00 0.00 H new ATOM 0 HG22 VAL 1 63 4.951 -5.407 -6.090 1.00 0.00 H new ATOM 0 HG23 VAL 1 63 6.163 -6.584 -6.648 1.00 0.00 H new ATOM 1000 N THR 1 64 5.562 -8.054 -9.630 1.00 0.00 N ATOM 1001 CA THR 1 64 6.249 -9.331 -9.777 1.00 0.00 C ATOM 1002 C THR 1 64 7.566 -9.270 -9.025 1.00 0.00 C ATOM 1003 O THR 1 64 8.051 -8.178 -8.741 1.00 0.00 O ATOM 1004 CB THR 1 64 6.495 -9.682 -11.248 1.00 0.00 C ATOM 1005 OG1 THR 1 64 7.676 -9.064 -11.723 1.00 0.00 O ATOM 1006 CG2 THR 1 64 5.359 -9.283 -12.166 1.00 0.00 C ATOM 0 H THR 1 64 5.723 -7.391 -10.388 1.00 0.00 H new ATOM 0 HA THR 1 64 5.614 -10.114 -9.362 1.00 0.00 H new ATOM 0 HB THR 1 64 6.584 -10.768 -11.269 1.00 0.00 H new ATOM 0 HG1 THR 1 64 7.815 -9.303 -12.663 1.00 0.00 H new ATOM 0 HG21 THR 1 64 5.604 -9.563 -13.191 1.00 0.00 H new ATOM 0 HG22 THR 1 64 4.446 -9.794 -11.859 1.00 0.00 H new ATOM 0 HG23 THR 1 64 5.208 -8.205 -12.110 1.00 0.00 H new ATOM 1014 N SER 1 65 8.127 -10.438 -8.705 1.00 0.00 N ATOM 1015 CA SER 1 65 9.385 -10.541 -7.954 1.00 0.00 C ATOM 1016 C SER 1 65 10.401 -9.468 -8.342 1.00 0.00 C ATOM 1017 O SER 1 65 11.212 -9.049 -7.515 1.00 0.00 O ATOM 1018 CB SER 1 65 10.003 -11.924 -8.159 1.00 0.00 C ATOM 1019 OG SER 1 65 10.547 -12.053 -9.461 1.00 0.00 O ATOM 0 H SER 1 65 7.724 -11.340 -8.958 1.00 0.00 H new ATOM 0 HA SER 1 65 9.137 -10.387 -6.904 1.00 0.00 H new ATOM 0 HB2 SER 1 65 10.784 -12.090 -7.417 1.00 0.00 H new ATOM 0 HB3 SER 1 65 9.245 -12.691 -8.001 1.00 0.00 H new ATOM 0 HG SER 1 65 10.937 -12.946 -9.565 1.00 0.00 H new ATOM 1173 N GLN 1 76 -3.332 -11.021 -4.877 1.00 0.00 N ATOM 1174 CA GLN 1 76 -3.368 -12.337 -4.265 1.00 0.00 C ATOM 1175 C GLN 1 76 -2.191 -12.483 -3.308 1.00 0.00 C ATOM 1176 O GLN 1 76 -1.056 -12.160 -3.656 1.00 0.00 O ATOM 1177 CB GLN 1 76 -3.303 -13.440 -5.331 1.00 0.00 C ATOM 1178 CG GLN 1 76 -4.254 -13.238 -6.503 1.00 0.00 C ATOM 1179 CD GLN 1 76 -3.829 -14.011 -7.736 1.00 0.00 C ATOM 1180 OE1 GLN 1 76 -3.355 -13.430 -8.713 1.00 0.00 O ATOM 1181 NE2 GLN 1 76 -3.994 -15.328 -7.698 1.00 0.00 N ATOM 0 HA GLN 1 76 -4.306 -12.440 -3.720 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 -2.284 -13.501 -5.712 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 -3.525 -14.398 -4.860 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 -5.257 -13.549 -6.211 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 -4.308 -12.176 -6.744 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 -4.391 -15.769 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 -3.724 -15.899 -8.499 1.00 0.00 H new ATOM 1190 N LYS 1 77 -2.464 -12.966 -2.108 1.00 0.00 N ATOM 1191 CA LYS 1 77 -1.417 -13.142 -1.103 1.00 0.00 C ATOM 1192 C LYS 1 77 -0.576 -14.381 -1.334 1.00 0.00 C ATOM 1193 O LYS 1 77 -1.034 -15.369 -1.908 1.00 0.00 O ATOM 1194 CB LYS 1 77 -1.966 -13.162 0.317 1.00 0.00 C ATOM 1195 CG LYS 1 77 -2.398 -14.536 0.821 1.00 0.00 C ATOM 1196 CD LYS 1 77 -3.849 -14.835 0.482 1.00 0.00 C ATOM 1197 CE LYS 1 77 -4.240 -16.239 0.908 1.00 0.00 C ATOM 1198 NZ LYS 1 77 -4.093 -16.433 2.377 1.00 0.00 N ATOM 0 H LYS 1 77 -3.396 -13.244 -1.802 1.00 0.00 H new ATOM 0 HA LYS 1 77 -0.775 -12.268 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 -1.205 -12.767 0.990 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 -2.820 -12.487 0.370 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 -1.758 -15.301 0.382 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 -2.260 -14.586 1.901 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 -4.496 -14.110 0.975 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 -4.004 -14.722 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 -5.273 -16.433 0.617 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 -3.620 -16.964 0.382 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 -4.525 -17.338 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 -3.083 -16.441 2.627 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 -4.567 -15.656 2.879 1.00 0.00 H new ATOM 1212 N GLY 1 78 0.664 -14.305 -0.879 1.00 0.00 N ATOM 1213 CA GLY 1 78 1.576 -15.406 -1.030 1.00 0.00 C ATOM 1214 C GLY 1 78 2.741 -15.019 -1.892 1.00 0.00 C ATOM 1215 O GLY 1 78 3.413 -15.880 -2.459 1.00 0.00 O ATOM 0 H GLY 1 78 1.053 -13.490 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY 1 78 1.933 -15.725 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY 1 78 1.057 -16.256 -1.473 1.00 0.00 H new ATOM 1219 N GLY 1 79 2.978 -13.712 -2.013 1.00 0.00 N ATOM 1220 CA GLY 1 79 4.074 -13.277 -2.843 1.00 0.00 C ATOM 1221 C GLY 1 79 4.656 -11.935 -2.461 1.00 0.00 C ATOM 1222 O GLY 1 79 5.359 -11.810 -1.459 1.00 0.00 O ATOM 0 H GLY 1 79 2.443 -12.970 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY 1 79 4.864 -14.027 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY 1 79 3.733 -13.230 -3.877 1.00 0.00 H new ATOM 1226 N TYR 1 80 4.381 -10.943 -3.294 1.00 0.00 N ATOM 1227 CA TYR 1 80 4.880 -9.595 -3.101 1.00 0.00 C ATOM 1228 C TYR 1 80 3.923 -8.595 -3.723 1.00 0.00 C ATOM 1229 O TYR 1 80 3.139 -8.945 -4.604 1.00 0.00 O ATOM 1230 CB TYR 1 80 6.271 -9.439 -3.738 1.00 0.00 C ATOM 1231 CG TYR 1 80 6.878 -10.731 -4.246 1.00 0.00 C ATOM 1232 CD1 TYR 1 80 6.314 -11.412 -5.318 1.00 0.00 C ATOM 1233 CD2 TYR 1 80 8.014 -11.266 -3.653 1.00 0.00 C ATOM 1234 CE1 TYR 1 80 6.867 -12.589 -5.785 1.00 0.00 C ATOM 1235 CE2 TYR 1 80 8.572 -12.443 -4.113 1.00 0.00 C ATOM 1236 CZ TYR 1 80 7.995 -13.102 -5.179 1.00 0.00 C ATOM 1237 OH TYR 1 80 8.548 -14.274 -5.640 1.00 0.00 O ATOM 0 H TYR 1 80 3.802 -11.054 -4.127 1.00 0.00 H new ATOM 0 HA TYR 1 80 4.959 -9.406 -2.030 1.00 0.00 H new ATOM 0 HB2 TYR 1 80 6.200 -8.735 -4.567 1.00 0.00 H new ATOM 0 HB3 TYR 1 80 6.946 -8.999 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR 1 80 5.429 -11.015 -5.794 1.00 0.00 H new ATOM 0 HD2 TYR 1 80 8.469 -10.753 -2.818 1.00 0.00 H new ATOM 0 HE1 TYR 1 80 6.418 -13.105 -6.621 1.00 0.00 H new ATOM 0 HE2 TYR 1 80 9.456 -12.845 -3.640 1.00 0.00 H new ATOM 0 HH TYR 1 80 9.338 -14.496 -5.104 1.00 0.00 H new ATOM 1247 N PHE 1 81 4.017 -7.347 -3.303 1.00 0.00 N ATOM 1248 CA PHE 1 81 3.179 -6.308 -3.877 1.00 0.00 C ATOM 1249 C PHE 1 81 3.831 -4.967 -3.752 1.00 0.00 C ATOM 1250 O PHE 1 81 4.858 -4.804 -3.122 1.00 0.00 O ATOM 1251 CB PHE 1 81 1.789 -6.236 -3.252 1.00 0.00 C ATOM 1252 CG PHE 1 81 1.795 -6.127 -1.764 1.00 0.00 C ATOM 1253 CD1 PHE 1 81 2.346 -7.137 -0.999 1.00 0.00 C ATOM 1254 CD2 PHE 1 81 1.221 -5.029 -1.123 1.00 0.00 C ATOM 1255 CE1 PHE 1 81 2.326 -7.061 0.381 1.00 0.00 C ATOM 1256 CE2 PHE 1 81 1.208 -4.947 0.243 1.00 0.00 C ATOM 1257 CZ PHE 1 81 1.757 -5.963 1.003 1.00 0.00 C ATOM 0 H PHE 1 81 4.657 -7.029 -2.575 1.00 0.00 H new ATOM 0 HA PHE 1 81 3.059 -6.578 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 1.260 -5.378 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 1.227 -7.125 -3.538 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 2.795 -7.992 -1.483 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 0.783 -4.236 -1.710 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 2.754 -7.857 0.973 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 0.768 -4.088 0.728 1.00 0.00 H new ATOM 0 HZ PHE 1 81 1.742 -5.900 2.081 1.00 0.00 H new ATOM 1267 N VAL 1 82 3.215 -4.005 -4.354 1.00 0.00 N ATOM 1268 CA VAL 1 82 3.718 -2.666 -4.303 1.00 0.00 C ATOM 1269 C VAL 1 82 2.555 -1.747 -4.046 1.00 0.00 C ATOM 1270 O VAL 1 82 1.579 -1.775 -4.774 1.00 0.00 O ATOM 1271 CB VAL 1 82 4.429 -2.329 -5.635 1.00 0.00 C ATOM 1272 CG1 VAL 1 82 4.072 -0.943 -6.159 1.00 0.00 C ATOM 1273 CG2 VAL 1 82 5.935 -2.465 -5.485 1.00 0.00 C ATOM 0 H VAL 1 82 2.356 -4.119 -4.892 1.00 0.00 H new ATOM 0 HA VAL 1 82 4.450 -2.548 -3.504 1.00 0.00 H new ATOM 0 HB VAL 1 82 4.073 -3.049 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL 1 82 4.600 -0.761 -7.095 1.00 0.00 H new ATOM 0 HG12 VAL 1 82 2.997 -0.885 -6.331 1.00 0.00 H new ATOM 0 HG13 VAL 1 82 4.363 -0.191 -5.426 1.00 0.00 H new ATOM 0 HG21 VAL 1 82 6.418 -2.224 -6.432 1.00 0.00 H new ATOM 0 HG22 VAL 1 82 6.287 -1.780 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL 1 82 6.182 -3.488 -5.202 1.00 0.00 H new ATOM 1283 N ILE 1 83 2.648 -0.944 -3.008 1.00 0.00 N ATOM 1284 CA ILE 1 83 1.567 -0.046 -2.676 1.00 0.00 C ATOM 1285 C ILE 1 83 1.513 1.108 -3.637 1.00 0.00 C ATOM 1286 O ILE 1 83 2.407 1.954 -3.651 1.00 0.00 O ATOM 1287 CB ILE 1 83 1.742 0.536 -1.276 1.00 0.00 C ATOM 1288 CG1 ILE 1 83 1.523 -0.517 -0.180 1.00 0.00 C ATOM 1289 CG2 ILE 1 83 0.814 1.725 -1.068 1.00 0.00 C ATOM 1290 CD1 ILE 1 83 1.811 -1.941 -0.598 1.00 0.00 C ATOM 0 H ILE 1 83 3.454 -0.895 -2.385 1.00 0.00 H new ATOM 0 HA ILE 1 83 0.649 -0.631 -2.729 1.00 0.00 H new ATOM 0 HB ILE 1 83 2.774 0.877 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE 1 83 2.155 -0.269 0.673 1.00 0.00 H new ATOM 0 HG13 ILE 1 83 0.489 -0.456 0.161 1.00 0.00 H new ATOM 0 HG21 ILE 1 83 0.955 2.125 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE 1 83 1.043 2.498 -1.802 1.00 0.00 H new ATOM 0 HG23 ILE 1 83 -0.221 1.405 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE 1 83 1.628 -2.611 0.242 1.00 0.00 H new ATOM 0 HD12 ILE 1 83 1.161 -2.215 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE 1 83 2.852 -2.025 -0.909 1.00 0.00 H new ATOM 1302 N ASN 1 84 0.458 1.170 -4.418 1.00 0.00 N ATOM 1303 CA ASN 1 84 0.315 2.265 -5.339 1.00 0.00 C ATOM 1304 C ASN 1 84 0.399 3.581 -4.565 1.00 0.00 C ATOM 1305 O ASN 1 84 -0.465 3.880 -3.741 1.00 0.00 O ATOM 1306 CB ASN 1 84 -1.013 2.185 -6.073 1.00 0.00 C ATOM 1307 CG ASN 1 84 -0.861 2.430 -7.564 1.00 0.00 C ATOM 1308 OD1 ASN 1 84 -1.482 1.588 -8.374 1.00 0.00 O flip ATOM 1309 ND2 ASN 1 84 -0.189 3.373 -7.981 1.00 0.00 N flip ATOM 0 H ASN 1 84 -0.299 0.486 -4.432 1.00 0.00 H new ATOM 0 HA ASN 1 84 1.115 2.213 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN 1 84 -1.457 1.203 -5.912 1.00 0.00 H new ATOM 0 HB3 ASN 1 84 -1.702 2.919 -5.655 1.00 0.00 H new ATOM 0 HD21 ASN 1 84 0.274 4.000 -7.323 1.00 0.00 H new ATOM 0 HD22 ASN 1 84 -0.095 3.528 -8.985 1.00 0.00 H new ATOM 1316 N PRO 1 85 1.427 4.395 -4.836 1.00 0.00 N ATOM 1317 CA PRO 1 85 1.615 5.699 -4.179 1.00 0.00 C ATOM 1318 C PRO 1 85 0.533 6.647 -4.597 1.00 0.00 C ATOM 1319 O PRO 1 85 0.162 7.579 -3.887 1.00 0.00 O ATOM 1320 CB PRO 1 85 2.950 6.167 -4.741 1.00 0.00 C ATOM 1321 CG PRO 1 85 2.965 5.536 -6.079 1.00 0.00 C ATOM 1322 CD PRO 1 85 2.474 4.149 -5.831 1.00 0.00 C ATOM 0 HA PRO 1 85 1.588 5.645 -3.091 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 3.007 7.254 -4.803 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 3.788 5.838 -4.126 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 2.320 6.068 -6.778 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 3.967 5.534 -6.508 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 2.082 3.683 -6.735 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 3.259 3.496 -5.450 1.00 0.00 H new ATOM 1330 N ASN 1 86 0.037 6.386 -5.775 1.00 0.00 N ATOM 1331 CA ASN 1 86 -1.012 7.184 -6.340 1.00 0.00 C ATOM 1332 C ASN 1 86 -2.325 6.892 -5.630 1.00 0.00 C ATOM 1333 O ASN 1 86 -3.199 7.754 -5.535 1.00 0.00 O ATOM 1334 CB ASN 1 86 -1.120 6.938 -7.839 1.00 0.00 C ATOM 1335 CG ASN 1 86 -0.391 7.990 -8.650 1.00 0.00 C ATOM 1336 OD1 ASN 1 86 -1.006 8.752 -9.394 1.00 0.00 O ATOM 1337 ND2 ASN 1 86 0.928 8.035 -8.508 1.00 0.00 N ATOM 0 H ASN 1 86 0.348 5.616 -6.368 1.00 0.00 H new ATOM 0 HA ASN 1 86 -0.777 8.239 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN 1 86 -0.712 5.955 -8.074 1.00 0.00 H new ATOM 0 HB3 ASN 1 86 -2.171 6.924 -8.128 1.00 0.00 H new ATOM 0 HD21 ASN 1 86 1.474 8.722 -9.028 1.00 0.00 H new ATOM 0 HD22 ASN 1 86 1.396 7.382 -7.879 1.00 0.00 H new ATOM 1344 N ASN 1 87 -2.419 5.696 -5.059 1.00 0.00 N ATOM 1345 CA ASN 1 87 -3.571 5.329 -4.271 1.00 0.00 C ATOM 1346 C ASN 1 87 -3.360 5.883 -2.891 1.00 0.00 C ATOM 1347 O ASN 1 87 -4.179 5.709 -1.996 1.00 0.00 O ATOM 1348 CB ASN 1 87 -3.672 3.842 -4.115 1.00 0.00 C ATOM 1349 CG ASN 1 87 -5.095 3.335 -4.142 1.00 0.00 C ATOM 1350 OD1 ASN 1 87 -5.886 3.601 -3.238 1.00 0.00 O ATOM 1351 ND2 ASN 1 87 -5.416 2.594 -5.187 1.00 0.00 N ATOM 0 H ASN 1 87 -1.707 4.970 -5.132 1.00 0.00 H new ATOM 0 HA ASN 1 87 -4.467 5.709 -4.762 1.00 0.00 H new ATOM 0 HB2 ASN 1 87 -3.107 3.360 -4.913 1.00 0.00 H new ATOM 0 HB3 ASN 1 87 -3.207 3.550 -3.173 1.00 0.00 H new ATOM 0 HD21 ASN 1 87 -6.358 2.213 -5.272 1.00 0.00 H new ATOM 0 HD22 ASN 1 87 -4.722 2.403 -5.910 1.00 0.00 H new ATOM 1358 N VAL 1 88 -2.205 6.504 -2.721 1.00 0.00 N ATOM 1359 CA VAL 1 88 -1.801 7.047 -1.504 1.00 0.00 C ATOM 1360 C VAL 1 88 -1.983 8.530 -1.434 1.00 0.00 C ATOM 1361 O VAL 1 88 -1.546 9.305 -2.286 1.00 0.00 O ATOM 1362 CB VAL 1 88 -0.358 6.739 -1.269 1.00 0.00 C ATOM 1363 CG1 VAL 1 88 0.099 7.523 -0.073 1.00 0.00 C ATOM 1364 CG2 VAL 1 88 -0.229 5.264 -1.060 1.00 0.00 C ATOM 0 H VAL 1 88 -1.525 6.630 -3.471 1.00 0.00 H new ATOM 0 HA VAL 1 88 -2.433 6.596 -0.739 1.00 0.00 H new ATOM 0 HB VAL 1 88 0.268 7.020 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL 1 88 1.152 7.314 0.118 1.00 0.00 H new ATOM 0 HG12 VAL 1 88 -0.030 8.588 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL 1 88 -0.492 7.237 0.797 1.00 0.00 H new ATOM 0 HG21 VAL 1 88 0.817 5.011 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL 1 88 -0.823 4.966 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL 1 88 -0.587 4.738 -1.945 1.00 0.00 H new ATOM 1374 N LYS 1 89 -2.605 8.878 -0.367 1.00 0.00 N ATOM 1375 CA LYS 1 89 -2.877 10.242 -0.030 1.00 0.00 C ATOM 1376 C LYS 1 89 -1.772 10.742 0.842 1.00 0.00 C ATOM 1377 O LYS 1 89 -1.317 11.879 0.723 1.00 0.00 O ATOM 1378 CB LYS 1 89 -4.191 10.344 0.717 1.00 0.00 C ATOM 1379 CG LYS 1 89 -5.370 9.833 -0.063 1.00 0.00 C ATOM 1380 CD LYS 1 89 -5.214 8.393 -0.473 1.00 0.00 C ATOM 1381 CE LYS 1 89 -4.759 8.220 -1.911 1.00 0.00 C ATOM 1382 NZ LYS 1 89 -4.807 9.477 -2.713 1.00 0.00 N ATOM 0 H LYS 1 89 -2.952 8.209 0.320 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.945 10.838 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -4.113 9.785 1.649 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.367 11.386 0.984 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.273 9.940 0.539 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -5.506 10.447 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.494 7.911 0.188 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.166 7.879 -0.337 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -3.739 7.836 -1.916 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -5.385 7.469 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -4.615 9.259 -3.712 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -5.750 9.907 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -4.090 10.142 -2.359 1.00 0.00 H new ATOM 1396 N SER 1 90 -1.346 9.862 1.726 1.00 0.00 N ATOM 1397 CA SER 1 90 -0.264 10.210 2.658 1.00 0.00 C ATOM 1398 C SER 1 90 0.036 9.108 3.667 1.00 0.00 C ATOM 1399 O SER 1 90 -0.696 8.139 3.776 1.00 0.00 O ATOM 1400 CB SER 1 90 -0.608 11.503 3.409 1.00 0.00 C ATOM 1401 OG SER 1 90 -1.102 11.232 4.710 1.00 0.00 O ATOM 0 H SER 1 90 -1.716 8.917 1.828 1.00 0.00 H new ATOM 0 HA SER 1 90 0.631 10.347 2.051 1.00 0.00 H new ATOM 0 HB2 SER 1 90 0.280 12.131 3.479 1.00 0.00 H new ATOM 0 HB3 SER 1 90 -1.353 12.065 2.846 1.00 0.00 H new ATOM 0 HG SER 1 90 -1.310 12.076 5.163 1.00 0.00 H new ATOM 1407 N VAL 1 91 1.097 9.317 4.440 1.00 0.00 N ATOM 1408 CA VAL 1 91 1.496 8.418 5.500 1.00 0.00 C ATOM 1409 C VAL 1 91 1.209 9.115 6.832 1.00 0.00 C ATOM 1410 O VAL 1 91 1.565 10.279 7.018 1.00 0.00 O ATOM 1411 CB VAL 1 91 2.988 8.045 5.404 1.00 0.00 C ATOM 1412 CG1 VAL 1 91 3.147 6.604 4.956 1.00 0.00 C ATOM 1413 CG2 VAL 1 91 3.727 8.979 4.458 1.00 0.00 C ATOM 0 H VAL 1 91 1.707 10.128 4.341 1.00 0.00 H new ATOM 0 HA VAL 1 91 0.934 7.488 5.417 1.00 0.00 H new ATOM 0 HB VAL 1 91 3.426 8.154 6.396 1.00 0.00 H new ATOM 0 HG11 VAL 1 91 4.207 6.357 4.893 1.00 0.00 H new ATOM 0 HG12 VAL 1 91 2.663 5.944 5.675 1.00 0.00 H new ATOM 0 HG13 VAL 1 91 2.686 6.474 3.977 1.00 0.00 H new ATOM 0 HG21 VAL 1 91 4.777 8.692 4.410 1.00 0.00 H new ATOM 0 HG22 VAL 1 91 3.287 8.912 3.463 1.00 0.00 H new ATOM 0 HG23 VAL 1 91 3.647 10.003 4.822 1.00 0.00 H new ATOM 1423 N GLY 1 92 0.510 8.431 7.721 1.00 0.00 N ATOM 1424 CA GLY 1 92 0.117 8.999 8.976 1.00 0.00 C ATOM 1425 C GLY 1 92 0.967 8.568 10.141 1.00 0.00 C ATOM 1426 O GLY 1 92 1.914 7.793 10.010 1.00 0.00 O ATOM 0 H GLY 1 92 0.204 7.468 7.583 1.00 0.00 H new ATOM 0 HA2 GLY 1 92 0.152 10.086 8.897 1.00 0.00 H new ATOM 0 HA3 GLY 1 92 -0.919 8.727 9.177 1.00 0.00 H new ATOM 1430 N THR 1 93 0.593 9.100 11.275 1.00 0.00 N ATOM 1431 CA THR 1 93 1.238 8.853 12.541 1.00 0.00 C ATOM 1432 C THR 1 93 1.168 7.396 12.914 1.00 0.00 C ATOM 1433 O THR 1 93 0.164 6.713 12.719 1.00 0.00 O ATOM 1434 CB THR 1 93 0.554 9.712 13.592 1.00 0.00 C ATOM 1435 OG1 THR 1 93 -0.051 10.847 12.994 1.00 0.00 O ATOM 1436 CG2 THR 1 93 1.488 10.210 14.654 1.00 0.00 C ATOM 0 H THR 1 93 -0.198 9.741 11.346 1.00 0.00 H new ATOM 0 HA THR 1 93 2.295 9.112 12.472 1.00 0.00 H new ATOM 0 HB THR 1 93 -0.187 9.062 14.056 1.00 0.00 H new ATOM 0 HG1 THR 1 93 -0.488 11.387 13.685 1.00 0.00 H new ATOM 0 HG21 THR 1 93 0.934 10.816 15.371 1.00 0.00 H new ATOM 0 HG22 THR 1 93 1.940 9.362 15.168 1.00 0.00 H new ATOM 0 HG23 THR 1 93 2.270 10.815 14.196 1.00 0.00 H new ATOM 1444 N PRO 1 94 2.284 6.923 13.441 1.00 0.00 N ATOM 1445 CA PRO 1 94 2.468 5.547 13.861 1.00 0.00 C ATOM 1446 C PRO 1 94 1.883 5.253 15.233 1.00 0.00 C ATOM 1447 O PRO 1 94 1.686 6.150 16.053 1.00 0.00 O ATOM 1448 CB PRO 1 94 3.972 5.448 13.872 1.00 0.00 C ATOM 1449 CG PRO 1 94 4.375 6.768 14.390 1.00 0.00 C ATOM 1450 CD PRO 1 94 3.502 7.723 13.668 1.00 0.00 C ATOM 0 HA PRO 1 94 1.962 4.829 13.215 1.00 0.00 H new ATOM 0 HB2 PRO 1 94 4.321 4.637 14.512 1.00 0.00 H new ATOM 0 HB3 PRO 1 94 4.374 5.263 12.876 1.00 0.00 H new ATOM 0 HG2 PRO 1 94 4.231 6.834 15.468 1.00 0.00 H new ATOM 0 HG3 PRO 1 94 5.429 6.967 14.196 1.00 0.00 H new ATOM 0 HD2 PRO 1 94 3.298 8.615 14.260 1.00 0.00 H new ATOM 0 HD3 PRO 1 94 3.950 8.057 12.732 1.00 0.00 H new ATOM 1458 N MET 1 95 1.617 3.982 15.462 1.00 0.00 N ATOM 1459 CA MET 1 95 1.053 3.517 16.723 1.00 0.00 C ATOM 1460 C MET 1 95 1.516 2.098 17.035 1.00 0.00 C ATOM 1461 O MET 1 95 1.504 1.232 16.161 1.00 0.00 O ATOM 1462 CB MET 1 95 -0.475 3.569 16.670 1.00 0.00 C ATOM 1463 CG MET 1 95 -1.030 4.973 16.498 1.00 0.00 C ATOM 1464 SD MET 1 95 -2.667 5.168 17.225 1.00 0.00 S ATOM 1465 CE MET 1 95 -2.451 6.690 18.144 1.00 0.00 C ATOM 0 H MET 1 95 1.784 3.240 14.783 1.00 0.00 H new ATOM 0 HA MET 1 95 1.405 4.176 17.517 1.00 0.00 H new ATOM 0 HB2 MET 1 95 -0.823 2.946 15.846 1.00 0.00 H new ATOM 0 HB3 MET 1 95 -0.877 3.138 17.587 1.00 0.00 H new ATOM 0 HG2 MET 1 95 -0.346 5.688 16.956 1.00 0.00 H new ATOM 0 HG3 MET 1 95 -1.078 5.213 15.436 1.00 0.00 H new ATOM 0 HE1 MET 1 95 -3.382 6.944 18.651 1.00 0.00 H new ATOM 0 HE2 MET 1 95 -1.659 6.560 18.882 1.00 0.00 H new ATOM 0 HE3 MET 1 95 -2.180 7.493 17.459 1.00 0.00 H new ATOM 1475 N LYS 1 96 1.896 1.850 18.282 1.00 0.00 N ATOM 1476 CA LYS 1 96 2.335 0.516 18.682 1.00 0.00 C ATOM 1477 C LYS 1 96 1.139 -0.347 19.064 1.00 0.00 C ATOM 1478 O LYS 1 96 0.333 0.045 19.908 1.00 0.00 O ATOM 1479 CB LYS 1 96 3.309 0.597 19.861 1.00 0.00 C ATOM 1480 CG LYS 1 96 4.370 1.676 19.709 1.00 0.00 C ATOM 1481 CD LYS 1 96 5.269 1.745 20.936 1.00 0.00 C ATOM 1482 CE LYS 1 96 6.740 1.760 20.552 1.00 0.00 C ATOM 1483 NZ LYS 1 96 7.612 1.301 21.670 1.00 0.00 N ATOM 0 H LYS 1 96 1.910 2.546 19.028 1.00 0.00 H new ATOM 0 HA LYS 1 96 2.846 0.061 17.833 1.00 0.00 H new ATOM 0 HB2 LYS 1 96 2.744 0.782 20.775 1.00 0.00 H new ATOM 0 HB3 LYS 1 96 3.801 -0.368 19.981 1.00 0.00 H new ATOM 0 HG2 LYS 1 96 4.974 1.473 18.824 1.00 0.00 H new ATOM 0 HG3 LYS 1 96 3.890 2.642 19.553 1.00 0.00 H new ATOM 0 HD2 LYS 1 96 5.033 2.641 21.511 1.00 0.00 H new ATOM 0 HD3 LYS 1 96 5.070 0.890 21.582 1.00 0.00 H new ATOM 0 HE2 LYS 1 96 6.895 1.119 19.684 1.00 0.00 H new ATOM 0 HE3 LYS 1 96 7.028 2.769 20.258 1.00 0.00 H new ATOM 0 HZ1 LYS 1 96 8.607 1.326 21.367 1.00 0.00 H new ATOM 0 HZ2 LYS 1 96 7.484 1.928 22.490 1.00 0.00 H new ATOM 0 HZ3 LYS 1 96 7.355 0.328 21.934 1.00 0.00 H new ATOM 1497 N GLY 1 97 1.017 -1.522 18.445 1.00 0.00 N ATOM 1498 CA GLY 1 97 -0.104 -2.386 18.769 1.00 0.00 C ATOM 1499 C GLY 1 97 -0.047 -3.737 18.091 1.00 0.00 C ATOM 1500 O GLY 1 97 -0.132 -4.768 18.757 1.00 0.00 O ATOM 0 H GLY 1 97 1.660 -1.883 17.740 1.00 0.00 H new ATOM 0 HA2 GLY 1 97 -0.138 -2.532 19.849 1.00 0.00 H new ATOM 0 HA3 GLY 1 97 -1.030 -1.886 18.486 1.00 0.00 H new ATOM 1504 N SER 1 98 0.081 -3.740 16.769 1.00 0.00 N ATOM 1505 CA SER 1 98 0.138 -4.987 16.018 1.00 0.00 C ATOM 1506 C SER 1 98 1.392 -5.781 16.393 1.00 0.00 C ATOM 1507 O SER 1 98 2.313 -5.918 15.591 1.00 0.00 O ATOM 1508 CB SER 1 98 0.128 -4.697 14.515 1.00 0.00 C ATOM 1509 OG SER 1 98 -1.189 -4.725 13.995 1.00 0.00 O ATOM 0 H SER 1 98 0.147 -2.897 16.198 1.00 0.00 H new ATOM 0 HA SER 1 98 -0.739 -5.584 16.269 1.00 0.00 H new ATOM 0 HB2 SER 1 98 0.575 -3.721 14.328 1.00 0.00 H new ATOM 0 HB3 SER 1 98 0.742 -5.433 13.996 1.00 0.00 H new ATOM 0 HG SER 1 98 -1.498 -5.653 13.936 1.00 0.00 H new ATOM 1515 N GLY 1 99 1.423 -6.300 17.616 1.00 0.00 N ATOM 1516 CA GLY 1 99 2.568 -7.070 18.070 1.00 0.00 C ATOM 1517 C GLY 1 99 3.422 -6.328 19.087 1.00 0.00 C ATOM 1518 O GLY 1 99 3.757 -6.878 20.138 1.00 0.00 O ATOM 0 H GLY 1 99 0.675 -6.201 18.302 1.00 0.00 H new ATOM 0 HA2 GLY 1 99 2.219 -8.004 18.510 1.00 0.00 H new ATOM 0 HA3 GLY 1 99 3.184 -7.334 17.211 1.00 0.00 H new ATOM 1522 N GLY 1 100 3.782 -5.082 18.780 1.00 0.00 N ATOM 1523 CA GLY 1 100 4.601 -4.302 19.684 1.00 0.00 C ATOM 1524 C GLY 1 100 5.404 -3.216 18.979 1.00 0.00 C ATOM 1525 O GLY 1 100 5.936 -2.312 19.621 1.00 0.00 O ATOM 0 H GLY 1 100 3.519 -4.602 17.919 1.00 0.00 H new ATOM 0 HA2 GLY 1 100 3.962 -3.841 20.437 1.00 0.00 H new ATOM 0 HA3 GLY 1 100 5.285 -4.967 20.210 1.00 0.00 H new ATOM 1529 N LEU 1 101 5.491 -3.315 17.658 1.00 0.00 N ATOM 1530 CA LEU 1 101 6.216 -2.380 16.844 1.00 0.00 C ATOM 1531 C LEU 1 101 5.457 -1.091 16.652 1.00 0.00 C ATOM 1532 O LEU 1 101 4.639 -0.692 17.472 1.00 0.00 O ATOM 1533 CB LEU 1 101 6.428 -2.988 15.487 1.00 0.00 C ATOM 1534 CG LEU 1 101 6.583 -4.495 15.419 1.00 0.00 C ATOM 1535 CD1 LEU 1 101 5.251 -5.218 15.342 1.00 0.00 C ATOM 1536 CD2 LEU 1 101 7.351 -4.785 14.193 1.00 0.00 C ATOM 0 H LEU 1 101 5.048 -4.064 17.125 1.00 0.00 H new ATOM 0 HA LEU 1 101 7.158 -2.162 17.348 1.00 0.00 H new ATOM 0 HB2 LEU 1 101 5.586 -2.706 14.855 1.00 0.00 H new ATOM 0 HB3 LEU 1 101 7.319 -2.537 15.050 1.00 0.00 H new ATOM 0 HG LEU 1 101 7.080 -4.842 16.325 1.00 0.00 H new ATOM 0 HD11 LEU 1 101 5.423 -6.293 15.295 1.00 0.00 H new ATOM 0 HD12 LEU 1 101 4.658 -4.983 16.226 1.00 0.00 H new ATOM 0 HD13 LEU 1 101 4.714 -4.897 14.449 1.00 0.00 H new ATOM 0 HD21 LEU 1 101 7.491 -5.862 14.097 1.00 0.00 H new ATOM 0 HD22 LEU 1 101 6.807 -4.411 13.326 1.00 0.00 H new ATOM 0 HD23 LEU 1 101 8.324 -4.297 14.249 1.00 0.00 H new ATOM 1548 N SER 1 102 5.760 -0.463 15.535 1.00 0.00 N ATOM 1549 CA SER 1 102 5.146 0.770 15.131 1.00 0.00 C ATOM 1550 C SER 1 102 4.373 0.561 13.842 1.00 0.00 C ATOM 1551 O SER 1 102 4.942 0.212 12.813 1.00 0.00 O ATOM 1552 CB SER 1 102 6.203 1.826 14.959 1.00 0.00 C ATOM 1553 OG SER 1 102 6.389 2.569 16.152 1.00 0.00 O ATOM 0 H SER 1 102 6.455 -0.808 14.874 1.00 0.00 H new ATOM 0 HA SER 1 102 4.447 1.101 15.899 1.00 0.00 H new ATOM 0 HB2 SER 1 102 7.144 1.358 14.669 1.00 0.00 H new ATOM 0 HB3 SER 1 102 5.919 2.499 14.150 1.00 0.00 H new ATOM 0 HG SER 1 102 7.083 3.247 16.011 1.00 0.00 H new ATOM 1559 N TRP 1 103 3.081 0.760 13.922 1.00 0.00 N ATOM 1560 CA TRP 1 103 2.182 0.597 12.813 1.00 0.00 C ATOM 1561 C TRP 1 103 1.505 1.930 12.577 1.00 0.00 C ATOM 1562 O TRP 1 103 0.851 2.475 13.461 1.00 0.00 O ATOM 1563 CB TRP 1 103 1.202 -0.493 13.160 1.00 0.00 C ATOM 1564 CG TRP 1 103 1.935 -1.759 13.481 1.00 0.00 C ATOM 1565 CD1 TRP 1 103 2.920 -1.876 14.402 1.00 0.00 C ATOM 1566 CD2 TRP 1 103 1.804 -3.059 12.875 1.00 0.00 C ATOM 1567 NE1 TRP 1 103 3.441 -3.125 14.381 1.00 0.00 N ATOM 1568 CE2 TRP 1 103 2.769 -3.885 13.473 1.00 0.00 C ATOM 1569 CE3 TRP 1 103 0.984 -3.613 11.898 1.00 0.00 C ATOM 1570 CZ2 TRP 1 103 2.937 -5.222 13.120 1.00 0.00 C ATOM 1571 CZ3 TRP 1 103 1.149 -4.941 11.554 1.00 0.00 C ATOM 1572 CH2 TRP 1 103 2.122 -5.727 12.162 1.00 0.00 C ATOM 0 H TRP 1 103 2.616 1.047 14.783 1.00 0.00 H new ATOM 0 HA TRP 1 103 2.694 0.304 11.896 1.00 0.00 H new ATOM 0 HB2 TRP 1 103 0.594 -0.189 14.012 1.00 0.00 H new ATOM 0 HB3 TRP 1 103 0.520 -0.659 12.326 1.00 0.00 H new ATOM 0 HD1 TRP 1 103 3.245 -1.084 15.061 1.00 0.00 H new ATOM 0 HE1 TRP 1 103 4.218 -3.448 14.957 1.00 0.00 H new ATOM 0 HE3 TRP 1 103 0.228 -3.013 11.414 1.00 0.00 H new ATOM 0 HZ2 TRP 1 103 3.690 -5.835 13.593 1.00 0.00 H new ATOM 0 HZ3 TRP 1 103 0.511 -5.377 10.799 1.00 0.00 H new ATOM 0 HH2 TRP 1 103 2.230 -6.760 11.865 1.00 0.00 H new ATOM 1583 N ALA 1 104 1.734 2.479 11.411 1.00 0.00 N ATOM 1584 CA ALA 1 104 1.224 3.802 11.079 1.00 0.00 C ATOM 1585 C ALA 1 104 0.045 3.816 10.148 1.00 0.00 C ATOM 1586 O ALA 1 104 -0.105 2.975 9.265 1.00 0.00 O ATOM 1587 CB ALA 1 104 2.330 4.690 10.536 1.00 0.00 C ATOM 0 H ALA 1 104 2.272 2.035 10.667 1.00 0.00 H new ATOM 0 HA ALA 1 104 0.854 4.199 12.024 1.00 0.00 H new ATOM 0 HB1 ALA 1 104 1.923 5.672 10.296 1.00 0.00 H new ATOM 0 HB2 ALA 1 104 3.113 4.795 11.286 1.00 0.00 H new ATOM 0 HB3 ALA 1 104 2.748 4.240 9.635 1.00 0.00 H new ATOM 1593 N GLN 1 105 -0.784 4.821 10.389 1.00 0.00 N ATOM 1594 CA GLN 1 105 -1.978 5.054 9.639 1.00 0.00 C ATOM 1595 C GLN 1 105 -1.687 5.736 8.323 1.00 0.00 C ATOM 1596 O GLN 1 105 -1.472 6.935 8.302 1.00 0.00 O ATOM 1597 CB GLN 1 105 -2.900 5.951 10.435 1.00 0.00 C ATOM 1598 CG GLN 1 105 -4.325 5.755 10.046 1.00 0.00 C ATOM 1599 CD GLN 1 105 -5.313 6.350 11.029 1.00 0.00 C ATOM 1600 OE1 GLN 1 105 -4.940 7.120 11.914 1.00 0.00 O ATOM 1601 NE2 GLN 1 105 -6.583 5.995 10.880 1.00 0.00 N ATOM 0 H GLN 1 105 -0.629 5.504 11.131 1.00 0.00 H new ATOM 0 HA GLN 1 105 -2.438 4.086 9.442 1.00 0.00 H new ATOM 0 HB2 GLN 1 105 -2.781 5.745 11.499 1.00 0.00 H new ATOM 0 HB3 GLN 1 105 -2.619 6.993 10.279 1.00 0.00 H new ATOM 0 HG2 GLN 1 105 -4.489 6.201 9.065 1.00 0.00 H new ATOM 0 HG3 GLN 1 105 -4.522 4.687 9.948 1.00 0.00 H new ATOM 0 HE21 GLN 1 105 -6.849 5.354 10.133 1.00 0.00 H new ATOM 0 HE22 GLN 1 105 -7.293 6.363 11.513 1.00 0.00 H new ATOM 1610 N VAL 1 106 -1.707 5.005 7.221 1.00 0.00 N ATOM 1611 CA VAL 1 106 -1.454 5.605 5.947 1.00 0.00 C ATOM 1612 C VAL 1 106 -2.774 5.882 5.247 1.00 0.00 C ATOM 1613 O VAL 1 106 -3.710 5.085 5.311 1.00 0.00 O ATOM 1614 CB VAL 1 106 -0.508 4.717 5.123 1.00 0.00 C ATOM 1615 CG1 VAL 1 106 -0.548 5.064 3.656 1.00 0.00 C ATOM 1616 CG2 VAL 1 106 0.903 4.862 5.662 1.00 0.00 C ATOM 0 H VAL 1 106 -1.896 4.003 7.195 1.00 0.00 H new ATOM 0 HA VAL 1 106 -0.949 6.563 6.072 1.00 0.00 H new ATOM 0 HB VAL 1 106 -0.838 3.682 5.216 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 0.135 4.413 3.109 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -1.561 4.927 3.277 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 -0.247 6.103 3.519 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 1.580 4.235 5.082 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 1.217 5.903 5.585 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 0.927 4.553 6.707 1.00 0.00 H new ATOM 1626 N ASN 1 107 -2.849 7.039 4.626 1.00 0.00 N ATOM 1627 CA ASN 1 107 -4.047 7.478 3.956 1.00 0.00 C ATOM 1628 C ASN 1 107 -4.067 7.014 2.517 1.00 0.00 C ATOM 1629 O ASN 1 107 -3.432 7.613 1.656 1.00 0.00 O ATOM 1630 CB ASN 1 107 -4.123 9.006 3.991 1.00 0.00 C ATOM 1631 CG ASN 1 107 -5.470 9.508 4.473 1.00 0.00 C ATOM 1632 OD1 ASN 1 107 -5.551 10.293 5.419 1.00 0.00 O ATOM 1633 ND2 ASN 1 107 -6.537 9.056 3.825 1.00 0.00 N ATOM 0 H ASN 1 107 -2.076 7.702 4.573 1.00 0.00 H new ATOM 0 HA ASN 1 107 -4.904 7.046 4.473 1.00 0.00 H new ATOM 0 HB2 ASN 1 107 -3.340 9.391 4.644 1.00 0.00 H new ATOM 0 HB3 ASN 1 107 -3.928 9.400 2.993 1.00 0.00 H new ATOM 0 HD21 ASN 1 107 -7.470 9.358 4.105 1.00 0.00 H new ATOM 0 HD22 ASN 1 107 -6.424 8.407 3.047 1.00 0.00 H new ATOM 1640 N PHE 1 108 -4.823 5.965 2.267 1.00 0.00 N ATOM 1641 CA PHE 1 108 -4.986 5.429 0.973 1.00 0.00 C ATOM 1642 C PHE 1 108 -6.304 5.904 0.394 1.00 0.00 C ATOM 1643 O PHE 1 108 -7.225 6.299 1.107 1.00 0.00 O ATOM 1644 CB PHE 1 108 -5.028 3.906 1.007 1.00 0.00 C ATOM 1645 CG PHE 1 108 -3.716 3.182 1.134 1.00 0.00 C ATOM 1646 CD1 PHE 1 108 -3.058 3.117 2.350 1.00 0.00 C ATOM 1647 CD2 PHE 1 108 -3.171 2.511 0.050 1.00 0.00 C ATOM 1648 CE1 PHE 1 108 -1.878 2.410 2.482 1.00 0.00 C ATOM 1649 CE2 PHE 1 108 -1.997 1.794 0.177 1.00 0.00 C ATOM 1650 CZ PHE 1 108 -1.349 1.746 1.396 1.00 0.00 C ATOM 0 H PHE 1 108 -5.344 5.466 2.988 1.00 0.00 H new ATOM 0 HA PHE 1 108 -4.141 5.760 0.369 1.00 0.00 H new ATOM 0 HB2 PHE 1 108 -5.662 3.605 1.841 1.00 0.00 H new ATOM 0 HB3 PHE 1 108 -5.516 3.562 0.095 1.00 0.00 H new ATOM 0 HD1 PHE 1 108 -3.473 3.626 3.208 1.00 0.00 H new ATOM 0 HD2 PHE 1 108 -3.671 2.549 -0.907 1.00 0.00 H new ATOM 0 HE1 PHE 1 108 -1.371 2.378 3.435 1.00 0.00 H new ATOM 0 HE2 PHE 1 108 -1.587 1.272 -0.675 1.00 0.00 H new ATOM 0 HZ PHE 1 108 -0.429 1.189 1.498 1.00 0.00 H new ATOM 1660 N THR 1 109 -6.354 5.861 -0.904 1.00 0.00 N ATOM 1661 CA THR 1 109 -7.508 6.279 -1.683 1.00 0.00 C ATOM 1662 C THR 1 109 -8.793 5.519 -1.350 1.00 0.00 C ATOM 1663 O THR 1 109 -9.789 6.103 -0.925 1.00 0.00 O ATOM 1664 CB THR 1 109 -7.166 6.170 -3.164 1.00 0.00 C ATOM 1665 OG1 THR 1 109 -7.364 7.411 -3.819 1.00 0.00 O ATOM 1666 CG2 THR 1 109 -7.973 5.143 -3.888 1.00 0.00 C ATOM 0 H THR 1 109 -5.579 5.527 -1.477 1.00 0.00 H new ATOM 0 HA THR 1 109 -7.724 7.314 -1.419 1.00 0.00 H new ATOM 0 HB THR 1 109 -6.119 5.869 -3.193 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -7.137 7.320 -4.768 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -7.676 5.120 -4.937 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -7.801 4.164 -3.441 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -9.031 5.394 -3.816 1.00 0.00 H new ATOM 1674 N THR 1 110 -8.758 4.219 -1.587 1.00 0.00 N ATOM 1675 CA THR 1 110 -9.904 3.348 -1.365 1.00 0.00 C ATOM 1676 C THR 1 110 -9.923 2.891 0.062 1.00 0.00 C ATOM 1677 O THR 1 110 -10.948 2.921 0.741 1.00 0.00 O ATOM 1678 CB THR 1 110 -9.855 2.148 -2.303 1.00 0.00 C ATOM 1679 OG1 THR 1 110 -8.998 2.398 -3.403 1.00 0.00 O ATOM 1680 CG2 THR 1 110 -11.216 1.768 -2.850 1.00 0.00 C ATOM 0 H THR 1 110 -7.933 3.734 -1.940 1.00 0.00 H new ATOM 0 HA THR 1 110 -10.816 3.907 -1.573 1.00 0.00 H new ATOM 0 HB THR 1 110 -9.478 1.323 -1.699 1.00 0.00 H new ATOM 0 HG1 THR 1 110 -8.981 1.613 -3.990 1.00 0.00 H new ATOM 0 HG21 THR 1 110 -11.115 0.907 -3.511 1.00 0.00 H new ATOM 0 HG22 THR 1 110 -11.882 1.516 -2.025 1.00 0.00 H new ATOM 0 HG23 THR 1 110 -11.631 2.607 -3.408 1.00 0.00 H new ATOM 1688 N GLY 1 111 -8.758 2.480 0.506 1.00 0.00 N ATOM 1689 CA GLY 1 111 -8.613 2.027 1.854 1.00 0.00 C ATOM 1690 C GLY 1 111 -8.663 3.168 2.844 1.00 0.00 C ATOM 1691 O GLY 1 111 -8.576 2.938 4.049 1.00 0.00 O ATOM 0 H GLY 1 111 -7.904 2.453 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY 1 111 -9.404 1.313 2.083 1.00 0.00 H new ATOM 0 HA3 GLY 1 111 -7.666 1.498 1.959 1.00 0.00 H new ATOM 1695 N GLY 1 112 -8.789 4.409 2.341 1.00 0.00 N ATOM 1696 CA GLY 1 112 -8.822 5.555 3.224 1.00 0.00 C ATOM 1697 C GLY 1 112 -7.736 5.442 4.263 1.00 0.00 C ATOM 1698 O GLY 1 112 -6.595 5.760 4.007 1.00 0.00 O ATOM 0 H GLY 1 112 -8.867 4.627 1.348 1.00 0.00 H new ATOM 0 HA2 GLY 1 112 -8.691 6.471 2.648 1.00 0.00 H new ATOM 0 HA3 GLY 1 112 -9.795 5.621 3.710 1.00 0.00 H new ATOM 1702 N ASN 1 113 -8.075 4.925 5.414 1.00 0.00 N ATOM 1703 CA ASN 1 113 -7.087 4.694 6.441 1.00 0.00 C ATOM 1704 C ASN 1 113 -6.578 3.261 6.294 1.00 0.00 C ATOM 1705 O ASN 1 113 -7.368 2.322 6.230 1.00 0.00 O ATOM 1706 CB ASN 1 113 -7.681 4.920 7.826 1.00 0.00 C ATOM 1707 CG ASN 1 113 -9.127 4.482 7.922 1.00 0.00 C ATOM 1708 OD1 ASN 1 113 -9.977 5.196 8.453 1.00 0.00 O ATOM 1709 ND2 ASN 1 113 -9.403 3.296 7.402 1.00 0.00 N ATOM 0 H ASN 1 113 -9.026 4.655 5.666 1.00 0.00 H new ATOM 0 HA ASN 1 113 -6.261 5.396 6.328 1.00 0.00 H new ATOM 0 HB2 ASN 1 113 -7.091 4.375 8.563 1.00 0.00 H new ATOM 0 HB3 ASN 1 113 -7.609 5.978 8.079 1.00 0.00 H new ATOM 0 HD21 ASN 1 113 -10.357 2.936 7.431 1.00 0.00 H new ATOM 0 HD22 ASN 1 113 -8.662 2.742 6.973 1.00 0.00 H new ATOM 1716 N VAL 1 114 -5.274 3.092 6.248 1.00 0.00 N ATOM 1717 CA VAL 1 114 -4.676 1.773 6.125 1.00 0.00 C ATOM 1718 C VAL 1 114 -3.404 1.771 6.919 1.00 0.00 C ATOM 1719 O VAL 1 114 -2.512 2.572 6.662 1.00 0.00 O ATOM 1720 CB VAL 1 114 -4.359 1.384 4.674 1.00 0.00 C ATOM 1721 CG1 VAL 1 114 -4.062 -0.100 4.587 1.00 0.00 C ATOM 1722 CG2 VAL 1 114 -5.500 1.753 3.739 1.00 0.00 C ATOM 0 H VAL 1 114 -4.600 3.856 6.294 1.00 0.00 H new ATOM 0 HA VAL 1 114 -5.396 1.043 6.495 1.00 0.00 H new ATOM 0 HB VAL 1 114 -3.478 1.943 4.358 1.00 0.00 H new ATOM 0 HG11 VAL 1 114 -3.838 -0.366 3.554 1.00 0.00 H new ATOM 0 HG12 VAL 1 114 -3.204 -0.337 5.217 1.00 0.00 H new ATOM 0 HG13 VAL 1 114 -4.929 -0.665 4.928 1.00 0.00 H new ATOM 0 HG21 VAL 1 114 -5.243 1.464 2.720 1.00 0.00 H new ATOM 0 HG22 VAL 1 114 -6.406 1.231 4.047 1.00 0.00 H new ATOM 0 HG23 VAL 1 114 -5.670 2.829 3.779 1.00 0.00 H new ATOM 1732 N TRP 1 115 -3.319 0.907 7.897 1.00 0.00 N ATOM 1733 CA TRP 1 115 -2.142 0.882 8.733 1.00 0.00 C ATOM 1734 C TRP 1 115 -1.119 -0.107 8.265 1.00 0.00 C ATOM 1735 O TRP 1 115 -1.424 -1.085 7.583 1.00 0.00 O ATOM 1736 CB TRP 1 115 -2.513 0.615 10.167 1.00 0.00 C ATOM 1737 CG TRP 1 115 -3.330 1.683 10.722 1.00 0.00 C ATOM 1738 CD1 TRP 1 115 -4.602 1.986 10.385 1.00 0.00 C ATOM 1739 CD2 TRP 1 115 -2.918 2.623 11.689 1.00 0.00 C ATOM 1740 NE1 TRP 1 115 -5.027 3.026 11.134 1.00 0.00 N ATOM 1741 CE2 TRP 1 115 -4.006 3.447 11.932 1.00 0.00 C ATOM 1742 CE3 TRP 1 115 -1.734 2.833 12.381 1.00 0.00 C ATOM 1743 CZ2 TRP 1 115 -3.963 4.473 12.833 1.00 0.00 C ATOM 1744 CZ3 TRP 1 115 -1.681 3.869 13.291 1.00 0.00 C ATOM 1745 CH2 TRP 1 115 -2.797 4.684 13.511 1.00 0.00 C ATOM 0 H TRP 1 115 -4.036 0.221 8.134 1.00 0.00 H new ATOM 0 HA TRP 1 115 -1.686 1.869 8.659 1.00 0.00 H new ATOM 0 HB2 TRP 1 115 -3.055 -0.328 10.233 1.00 0.00 H new ATOM 0 HB3 TRP 1 115 -1.607 0.504 10.762 1.00 0.00 H new ATOM 0 HD1 TRP 1 115 -5.188 1.476 9.634 1.00 0.00 H new ATOM 0 HE1 TRP 1 115 -5.963 3.432 11.107 1.00 0.00 H new ATOM 0 HE3 TRP 1 115 -0.875 2.201 12.212 1.00 0.00 H new ATOM 0 HZ2 TRP 1 115 -4.826 5.099 13.004 1.00 0.00 H new ATOM 0 HZ3 TRP 1 115 -0.769 4.053 13.839 1.00 0.00 H new ATOM 0 HH2 TRP 1 115 -2.735 5.491 14.227 1.00 0.00 H new ATOM 1756 N LEU 1 116 0.107 0.171 8.641 1.00 0.00 N ATOM 1757 CA LEU 1 116 1.213 -0.663 8.280 1.00 0.00 C ATOM 1758 C LEU 1 116 2.292 -0.509 9.295 1.00 0.00 C ATOM 1759 O LEU 1 116 2.496 0.587 9.804 1.00 0.00 O ATOM 1760 CB LEU 1 116 1.754 -0.248 6.923 1.00 0.00 C ATOM 1761 CG LEU 1 116 1.967 -1.402 5.946 1.00 0.00 C ATOM 1762 CD1 LEU 1 116 0.766 -1.534 5.021 1.00 0.00 C ATOM 1763 CD2 LEU 1 116 3.240 -1.207 5.144 1.00 0.00 C ATOM 0 H LEU 1 116 0.359 0.983 9.205 1.00 0.00 H new ATOM 0 HA LEU 1 116 0.880 -1.700 8.237 1.00 0.00 H new ATOM 0 HB2 LEU 1 116 1.065 0.468 6.475 1.00 0.00 H new ATOM 0 HB3 LEU 1 116 2.703 0.269 7.067 1.00 0.00 H new ATOM 0 HG LEU 1 116 2.071 -2.323 6.520 1.00 0.00 H new ATOM 0 HD11 LEU 1 116 0.929 -2.360 4.329 1.00 0.00 H new ATOM 0 HD12 LEU 1 116 -0.129 -1.727 5.612 1.00 0.00 H new ATOM 0 HD13 LEU 1 116 0.637 -0.609 4.459 1.00 0.00 H new ATOM 0 HD21 LEU 1 116 3.368 -2.043 4.456 1.00 0.00 H new ATOM 0 HD22 LEU 1 116 3.175 -0.278 4.578 1.00 0.00 H new ATOM 0 HD23 LEU 1 116 4.093 -1.160 5.821 1.00 0.00 H new ATOM 1775 N ASN 1 117 3.028 -1.562 9.569 1.00 0.00 N ATOM 1776 CA ASN 1 117 4.094 -1.401 10.516 1.00 0.00 C ATOM 1777 C ASN 1 117 5.079 -0.469 9.914 1.00 0.00 C ATOM 1778 O ASN 1 117 5.837 -0.750 8.985 1.00 0.00 O ATOM 1779 CB ASN 1 117 4.680 -2.675 10.994 1.00 0.00 C ATOM 1780 CG ASN 1 117 6.149 -2.604 11.368 1.00 0.00 C ATOM 1781 OD1 ASN 1 117 7.028 -2.656 10.510 1.00 0.00 O ATOM 1782 ND2 ASN 1 117 6.410 -2.494 12.667 1.00 0.00 N ATOM 0 H ASN 1 117 2.914 -2.494 9.170 1.00 0.00 H new ATOM 0 HA ASN 1 117 3.701 -0.974 11.439 1.00 0.00 H new ATOM 0 HB2 ASN 1 117 4.115 -3.014 11.862 1.00 0.00 H new ATOM 0 HB3 ASN 1 117 4.554 -3.429 10.217 1.00 0.00 H new ATOM 0 HD21 ASN 1 117 7.376 -2.449 12.991 1.00 0.00 H new ATOM 0 HD22 ASN 1 117 5.644 -2.455 13.340 1.00 0.00 H new ATOM 1789 N THR 1 118 4.905 0.682 10.443 1.00 0.00 N ATOM 1790 CA THR 1 118 5.583 1.884 10.055 1.00 0.00 C ATOM 1791 C THR 1 118 6.986 1.973 10.587 1.00 0.00 C ATOM 1792 O THR 1 118 7.594 3.044 10.565 1.00 0.00 O ATOM 1793 CB THR 1 118 4.747 3.034 10.543 1.00 0.00 C ATOM 1794 OG1 THR 1 118 5.065 4.237 9.861 1.00 0.00 O ATOM 1795 CG2 THR 1 118 4.889 3.272 12.025 1.00 0.00 C ATOM 0 H THR 1 118 4.247 0.832 11.207 1.00 0.00 H new ATOM 0 HA THR 1 118 5.692 1.900 8.971 1.00 0.00 H new ATOM 0 HB THR 1 118 3.716 2.750 10.333 1.00 0.00 H new ATOM 0 HG1 THR 1 118 6.039 4.339 9.814 1.00 0.00 H new ATOM 0 HG21 THR 1 118 4.263 4.114 12.320 1.00 0.00 H new ATOM 0 HG22 THR 1 118 4.577 2.380 12.568 1.00 0.00 H new ATOM 0 HG23 THR 1 118 5.930 3.494 12.260 1.00 0.00 H new ATOM 1803 N THR 1 119 7.509 0.861 11.057 1.00 0.00 N ATOM 1804 CA THR 1 119 8.875 0.864 11.563 1.00 0.00 C ATOM 1805 C THR 1 119 9.880 1.214 10.436 1.00 0.00 C ATOM 1806 O THR 1 119 11.067 0.901 10.538 1.00 0.00 O ATOM 1807 CB THR 1 119 9.225 -0.493 12.182 1.00 0.00 C ATOM 1808 OG1 THR 1 119 10.419 -0.406 12.938 1.00 0.00 O ATOM 1809 CG2 THR 1 119 9.410 -1.595 11.162 1.00 0.00 C ATOM 0 H THR 1 119 7.029 -0.038 11.102 1.00 0.00 H new ATOM 0 HA THR 1 119 8.945 1.628 12.337 1.00 0.00 H new ATOM 0 HB THR 1 119 8.372 -0.746 12.812 1.00 0.00 H new ATOM 0 HG1 THR 1 119 11.091 0.096 12.431 1.00 0.00 H new ATOM 0 HG21 THR 1 119 9.656 -2.526 11.673 1.00 0.00 H new ATOM 0 HG22 THR 1 119 8.488 -1.725 10.595 1.00 0.00 H new ATOM 0 HG23 THR 1 119 10.220 -1.329 10.482 1.00 0.00 H new ATOM 1817 N SER 1 120 9.394 1.892 9.374 1.00 0.00 N ATOM 1818 CA SER 1 120 10.197 2.320 8.260 1.00 0.00 C ATOM 1819 C SER 1 120 9.293 3.133 7.343 1.00 0.00 C ATOM 1820 O SER 1 120 8.235 2.677 6.946 1.00 0.00 O ATOM 1821 CB SER 1 120 10.794 1.129 7.511 1.00 0.00 C ATOM 1822 OG SER 1 120 12.078 0.802 8.012 1.00 0.00 O ATOM 0 H SER 1 120 8.411 2.151 9.287 1.00 0.00 H new ATOM 0 HA SER 1 120 11.037 2.919 8.611 1.00 0.00 H new ATOM 0 HB2 SER 1 120 10.133 0.267 7.606 1.00 0.00 H new ATOM 0 HB3 SER 1 120 10.863 1.362 6.448 1.00 0.00 H new ATOM 0 HG SER 1 120 12.050 0.774 8.991 1.00 0.00 H new ATOM 1828 N LYS 1 121 9.688 4.347 7.036 1.00 0.00 N ATOM 1829 CA LYS 1 121 8.885 5.208 6.186 1.00 0.00 C ATOM 1830 C LYS 1 121 8.990 4.715 4.758 1.00 0.00 C ATOM 1831 O LYS 1 121 7.996 4.584 4.032 1.00 0.00 O ATOM 1832 CB LYS 1 121 9.359 6.637 6.343 1.00 0.00 C ATOM 1833 CG LYS 1 121 8.554 7.646 5.540 1.00 0.00 C ATOM 1834 CD LYS 1 121 7.632 8.463 6.432 1.00 0.00 C ATOM 1835 CE LYS 1 121 6.866 9.504 5.633 1.00 0.00 C ATOM 1836 NZ LYS 1 121 7.685 10.721 5.375 1.00 0.00 N ATOM 0 H LYS 1 121 10.560 4.765 7.360 1.00 0.00 H new ATOM 0 HA LYS 1 121 7.833 5.179 6.471 1.00 0.00 H new ATOM 0 HB2 LYS 1 121 9.316 6.910 7.397 1.00 0.00 H new ATOM 0 HB3 LYS 1 121 10.404 6.698 6.040 1.00 0.00 H new ATOM 0 HG2 LYS 1 121 9.232 8.313 5.008 1.00 0.00 H new ATOM 0 HG3 LYS 1 121 7.964 7.125 4.786 1.00 0.00 H new ATOM 0 HD2 LYS 1 121 6.929 7.800 6.936 1.00 0.00 H new ATOM 0 HD3 LYS 1 121 8.217 8.956 7.208 1.00 0.00 H new ATOM 0 HE2 LYS 1 121 6.549 9.072 4.684 1.00 0.00 H new ATOM 0 HE3 LYS 1 121 5.962 9.783 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS 1 121 7.126 11.406 4.828 1.00 0.00 H new ATOM 0 HZ2 LYS 1 121 7.966 11.149 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS 1 121 8.536 10.459 4.837 1.00 0.00 H new ATOM 1850 N ASP 1 122 10.196 4.334 4.382 1.00 0.00 N ATOM 1851 CA ASP 1 122 10.402 3.740 3.098 1.00 0.00 C ATOM 1852 C ASP 1 122 9.657 2.409 3.068 1.00 0.00 C ATOM 1853 O ASP 1 122 9.650 1.726 2.066 1.00 0.00 O ATOM 1854 CB ASP 1 122 11.871 3.543 2.805 1.00 0.00 C ATOM 1855 CG ASP 1 122 12.569 4.834 2.427 1.00 0.00 C ATOM 1856 OD1 ASP 1 122 12.377 5.301 1.284 1.00 0.00 O ATOM 1857 OD2 ASP 1 122 13.309 5.380 3.273 1.00 0.00 O ATOM 0 H ASP 1 122 11.037 4.429 4.952 1.00 0.00 H new ATOM 0 HA ASP 1 122 10.018 4.404 2.324 1.00 0.00 H new ATOM 0 HB2 ASP 1 122 12.358 3.114 3.681 1.00 0.00 H new ATOM 0 HB3 ASP 1 122 11.982 2.823 1.994 1.00 0.00 H new ATOM 1862 N ASN 1 123 9.066 2.020 4.206 1.00 0.00 N ATOM 1863 CA ASN 1 123 8.342 0.768 4.298 1.00 0.00 C ATOM 1864 C ASN 1 123 7.162 0.772 3.342 1.00 0.00 C ATOM 1865 O ASN 1 123 7.056 -0.054 2.447 1.00 0.00 O ATOM 1866 CB ASN 1 123 7.839 0.581 5.742 1.00 0.00 C ATOM 1867 CG ASN 1 123 6.670 -0.350 5.763 1.00 0.00 C ATOM 1868 OD1 ASN 1 123 5.757 -0.220 6.577 1.00 0.00 O ATOM 1869 ND2 ASN 1 123 6.703 -1.295 4.848 1.00 0.00 N ATOM 0 H ASN 1 123 9.081 2.562 5.070 1.00 0.00 H new ATOM 0 HA ASN 1 123 9.007 -0.053 4.029 1.00 0.00 H new ATOM 0 HB2 ASN 1 123 8.640 0.185 6.366 1.00 0.00 H new ATOM 0 HB3 ASN 1 123 7.554 1.545 6.163 1.00 0.00 H new ATOM 0 HD21 ASN 1 123 5.943 -1.972 4.786 1.00 0.00 H new ATOM 0 HD22 ASN 1 123 7.489 -1.351 4.200 1.00 0.00 H new ATOM 1876 N LEU 1 124 6.300 1.712 3.513 1.00 0.00 N ATOM 1877 CA LEU 1 124 5.157 1.824 2.634 1.00 0.00 C ATOM 1878 C LEU 1 124 5.625 2.101 1.231 1.00 0.00 C ATOM 1879 O LEU 1 124 5.309 1.380 0.287 1.00 0.00 O ATOM 1880 CB LEU 1 124 4.209 2.919 3.080 1.00 0.00 C ATOM 1881 CG LEU 1 124 4.344 3.332 4.526 1.00 0.00 C ATOM 1882 CD1 LEU 1 124 4.232 2.115 5.448 1.00 0.00 C ATOM 1883 CD2 LEU 1 124 5.669 4.047 4.721 1.00 0.00 C ATOM 0 H LEU 1 124 6.351 2.419 4.246 1.00 0.00 H new ATOM 0 HA LEU 1 124 4.615 0.879 2.669 1.00 0.00 H new ATOM 0 HB2 LEU 1 124 4.369 3.795 2.451 1.00 0.00 H new ATOM 0 HB3 LEU 1 124 3.186 2.585 2.907 1.00 0.00 H new ATOM 0 HG LEU 1 124 3.534 4.014 4.785 1.00 0.00 H new ATOM 0 HD11 LEU 1 124 4.332 2.434 6.485 1.00 0.00 H new ATOM 0 HD12 LEU 1 124 3.261 1.639 5.306 1.00 0.00 H new ATOM 0 HD13 LEU 1 124 5.023 1.404 5.209 1.00 0.00 H new ATOM 0 HD21 LEU 1 124 5.771 4.347 5.764 1.00 0.00 H new ATOM 0 HD22 LEU 1 124 6.487 3.377 4.455 1.00 0.00 H new ATOM 0 HD23 LEU 1 124 5.703 4.931 4.084 1.00 0.00 H new ATOM 1895 N LEU 1 125 6.378 3.173 1.116 1.00 0.00 N ATOM 1896 CA LEU 1 125 6.906 3.596 -0.153 1.00 0.00 C ATOM 1897 C LEU 1 125 7.792 2.549 -0.797 1.00 0.00 C ATOM 1898 O LEU 1 125 7.736 2.337 -2.007 1.00 0.00 O ATOM 1899 CB LEU 1 125 7.716 4.861 0.044 1.00 0.00 C ATOM 1900 CG LEU 1 125 6.915 6.096 0.429 1.00 0.00 C ATOM 1901 CD1 LEU 1 125 6.605 6.039 1.911 1.00 0.00 C ATOM 1902 CD2 LEU 1 125 7.682 7.365 0.085 1.00 0.00 C ATOM 0 H LEU 1 125 6.638 3.771 1.900 1.00 0.00 H new ATOM 0 HA LEU 1 125 6.057 3.765 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU 1 125 8.462 4.677 0.817 1.00 0.00 H new ATOM 0 HB3 LEU 1 125 8.257 5.073 -0.878 1.00 0.00 H new ATOM 0 HG LEU 1 125 5.982 6.114 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU 1 125 6.031 6.920 2.197 1.00 0.00 H new ATOM 0 HD12 LEU 1 125 6.025 5.142 2.127 1.00 0.00 H new ATOM 0 HD13 LEU 1 125 7.536 6.014 2.477 1.00 0.00 H new ATOM 0 HD21 LEU 1 125 7.091 8.236 0.369 1.00 0.00 H new ATOM 0 HD22 LEU 1 125 8.628 7.377 0.627 1.00 0.00 H new ATOM 0 HD23 LEU 1 125 7.877 7.393 -0.987 1.00 0.00 H new ATOM 1914 N TYR 1 126 8.656 1.940 0.000 1.00 0.00 N ATOM 1915 CA TYR 1 126 9.595 0.972 -0.531 1.00 0.00 C ATOM 1916 C TYR 1 126 9.429 -0.402 0.092 1.00 0.00 C ATOM 1917 O TYR 1 126 9.706 -1.414 -0.547 1.00 0.00 O ATOM 1918 CB TYR 1 126 11.010 1.477 -0.291 1.00 0.00 C ATOM 1919 CG TYR 1 126 11.651 2.036 -1.530 1.00 0.00 C ATOM 1920 CD1 TYR 1 126 11.047 3.076 -2.217 1.00 0.00 C ATOM 1921 CD2 TYR 1 126 12.847 1.529 -2.018 1.00 0.00 C ATOM 1922 CE1 TYR 1 126 11.616 3.598 -3.360 1.00 0.00 C ATOM 1923 CE2 TYR 1 126 13.425 2.046 -3.159 1.00 0.00 C ATOM 1924 CZ TYR 1 126 12.804 3.080 -3.827 1.00 0.00 C ATOM 1925 OH TYR 1 126 13.374 3.595 -4.965 1.00 0.00 O ATOM 0 H TYR 1 126 8.725 2.098 1.005 1.00 0.00 H new ATOM 0 HA TYR 1 126 9.398 0.864 -1.598 1.00 0.00 H new ATOM 0 HB2 TYR 1 126 10.989 2.247 0.480 1.00 0.00 H new ATOM 0 HB3 TYR 1 126 11.622 0.660 0.091 1.00 0.00 H new ATOM 0 HD1 TYR 1 126 10.116 3.485 -1.852 1.00 0.00 H new ATOM 0 HD2 TYR 1 126 13.333 0.717 -1.497 1.00 0.00 H new ATOM 0 HE1 TYR 1 126 11.133 4.408 -3.886 1.00 0.00 H new ATOM 0 HE2 TYR 1 126 14.357 1.644 -3.526 1.00 0.00 H new ATOM 0 HH TYR 1 126 14.209 3.119 -5.157 1.00 0.00 H new ATOM 1935 N GLY 1 127 9.001 -0.445 1.340 1.00 0.00 N ATOM 1936 CA GLY 1 127 8.852 -1.732 1.996 1.00 0.00 C ATOM 1937 C GLY 1 127 10.016 -2.034 2.902 1.00 0.00 C ATOM 1938 O GLY 1 127 10.356 -3.194 3.134 1.00 0.00 O ATOM 0 H GLY 1 127 8.757 0.368 1.906 1.00 0.00 H new ATOM 0 HA2 GLY 1 127 7.929 -1.740 2.575 1.00 0.00 H new ATOM 0 HA3 GLY 1 127 8.764 -2.516 1.244 1.00 0.00 H new ATOM 1942 N LYS 1 128 10.632 -0.978 3.411 1.00 0.00 N ATOM 1943 CA LYS 1 128 11.756 -1.109 4.293 1.00 0.00 C ATOM 1944 C LYS 1 128 11.307 -1.520 5.693 1.00 0.00 C ATOM 1945 O LYS 1 128 12.181 -1.670 6.573 1.00 0.00 O ATOM 1946 CB LYS 1 128 12.479 0.219 4.361 1.00 0.00 C ATOM 1947 CG LYS 1 128 13.025 0.681 3.028 1.00 0.00 C ATOM 1948 CD LYS 1 128 14.116 1.724 3.222 1.00 0.00 C ATOM 1949 CE LYS 1 128 14.586 2.299 1.895 1.00 0.00 C ATOM 1950 NZ LYS 1 128 15.462 3.489 2.083 1.00 0.00 N ATOM 1951 OXT LYS 1 128 10.086 -1.690 5.896 1.00 0.00 O ATOM 0 H LYS 1 128 10.360 -0.014 3.218 1.00 0.00 H new ATOM 0 HA LYS 1 128 12.420 -1.883 3.909 1.00 0.00 H new ATOM 0 HB2 LYS 1 128 11.796 0.976 4.746 1.00 0.00 H new ATOM 0 HB3 LYS 1 128 13.301 0.140 5.073 1.00 0.00 H new ATOM 0 HG2 LYS 1 128 13.424 -0.171 2.479 1.00 0.00 H new ATOM 0 HG3 LYS 1 128 12.219 1.099 2.425 1.00 0.00 H new ATOM 0 HD2 LYS 1 128 13.742 2.528 3.855 1.00 0.00 H new ATOM 0 HD3 LYS 1 128 14.961 1.274 3.744 1.00 0.00 H new ATOM 0 HE2 LYS 1 128 15.128 1.534 1.340 1.00 0.00 H new ATOM 0 HE3 LYS 1 128 13.721 2.577 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS 1 128 15.513 4.027 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS 1 128 15.069 4.094 2.832 1.00 0.00 H new ATOM 0 HZ3 LYS 1 128 16.417 3.178 2.354 1.00 0.00 H new