USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=23 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: 1 117 ASN : amide:sc= -13.4! C(o=-17!,f=-15!) USER MOD Set 1.2: 1 119 THR OG1 : rot 160:sc= -3.4! USER MOD Set 2.1: 1 87 ASN : amide:sc= -7.4! C(o=-7!,f=-13!) USER MOD Set 2.2: 1 109 THR OG1 : rot 162:sc= 0.599 USER MOD Set 2.3: 1 110 THR OG1 : rot -174:sc= -0.17 USER MOD Set 3.1: 1 65 SER OG : rot 76:sc= 0.0808 USER MOD Set 3.2: 1 80 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: 1 49 THR OG1 : rot 170:sc= -1.78! USER MOD Set 4.2: 1 53 ASN : amide:sc= -5.32! C(o=-6.9!,f=-9.3!) USER MOD Set 4.3: 1 98 SER OG : rot -77:sc= 0.22 USER MOD Single : 1 22 LYS NZ :NH3+ -157:sc= -0.123 (180deg=-0.707) USER MOD Single : 1 24 TYR OH : rot 161:sc= -7.51! USER MOD Single : 1 25 LYS NZ :NH3+ -125:sc= -0.0248 (180deg=-2.1!) USER MOD Single : 1 30 GLN : amide:sc= -12.5! C(o=-12!,f=-6.4!) USER MOD Single : 1 31 LYS NZ :NH3+ 170:sc= -0.362 (180deg=-0.559) USER MOD Single : 1 33 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.3) USER MOD Single : 1 37 GLN : amide:sc= -15.1! C(o=-15!,f=-19!) USER MOD Single : 1 40 ASN : amide:sc= -6.08! C(o=-6.1!,f=-9.2!) USER MOD Single : 1 41 ASN : amide:sc= -15! C(o=-15!,f=-5.4!) USER MOD Single : 1 46 THR OG1 : rot -91:sc= 1.25 USER MOD Single : 1 64 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 84 ASN : amide:sc= -4.51 K(o=-4.5,f=-3) USER MOD Single : 1 86 ASN : amide:sc= -2.66! K(o=-2.7!,f=-0.27) USER MOD Single : 1 89 LYS NZ :NH3+ 141:sc= -1.54 (180deg=-3.64!) USER MOD Single : 1 90 SER OG : rot 180:sc= 0 USER MOD Single : 1 93 THR OG1 : rot 180:sc= 0.102 USER MOD Single : 1 95 MET CE :methyl -125:sc= -3.69 (180deg=-8.17!) USER MOD Single : 1 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 102 SER OG : rot 180:sc= -1.12 USER MOD Single : 1 105 GLN : amide:sc= -3.96! C(o=-4!,f=-3.6!) USER MOD Single : 1 107 ASN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : 1 113 ASN : amide:sc= -1.12! K(o=-1.1!,f=-2) USER MOD Single : 1 118 THR OG1 : rot -47:sc= -0.233 USER MOD Single : 1 120 SER OG : rot 49:sc= 0.848 USER MOD Single : 1 121 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0935) USER MOD Single : 1 123 ASN : amide:sc= -17.4! C(o=-17!,f=-18!) USER MOD Single : 1 126 TYR OH : rot 180:sc= 0 USER MOD Single : 1 128 LYS NZ :NH3+ -165:sc= -1.26 (180deg=-1.78) USER MOD ----------------------------------------------------------------- ATOM 320 N LYS 1 22 9.573 -0.001 -3.842 1.00 0.00 N ATOM 321 CA LYS 1 22 10.133 -1.337 -3.706 1.00 0.00 C ATOM 322 C LYS 1 22 9.030 -2.345 -3.372 1.00 0.00 C ATOM 323 O LYS 1 22 7.892 -1.964 -3.099 1.00 0.00 O ATOM 324 CB LYS 1 22 11.214 -1.350 -2.631 1.00 0.00 C ATOM 325 CG LYS 1 22 12.623 -1.475 -3.187 1.00 0.00 C ATOM 326 CD LYS 1 22 12.864 -2.848 -3.793 1.00 0.00 C ATOM 327 CE LYS 1 22 14.075 -2.847 -4.711 1.00 0.00 C ATOM 328 NZ LYS 1 22 13.907 -1.907 -5.855 1.00 0.00 N ATOM 0 HA LYS 1 22 10.586 -1.624 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 11.143 -0.433 -2.045 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 11.027 -2.179 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 12.785 -0.708 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 13.346 -1.295 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 13.010 -3.578 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 11.982 -3.160 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 14.962 -2.570 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 14.243 -3.855 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 14.527 -2.198 -6.637 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 12.917 -1.922 -6.174 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 14.159 -0.944 -5.553 1.00 0.00 H new ATOM 342 N ILE 1 23 9.361 -3.628 -3.446 1.00 0.00 N ATOM 343 CA ILE 1 23 8.404 -4.691 -3.206 1.00 0.00 C ATOM 344 C ILE 1 23 7.996 -4.873 -1.741 1.00 0.00 C ATOM 345 O ILE 1 23 8.744 -4.566 -0.812 1.00 0.00 O ATOM 346 CB ILE 1 23 8.967 -6.017 -3.755 1.00 0.00 C ATOM 347 CG1 ILE 1 23 8.142 -6.448 -4.951 1.00 0.00 C ATOM 348 CG2 ILE 1 23 9.006 -7.112 -2.695 1.00 0.00 C ATOM 349 CD1 ILE 1 23 8.989 -6.790 -6.153 1.00 0.00 C ATOM 0 H ILE 1 23 10.299 -3.956 -3.674 1.00 0.00 H new ATOM 0 HA ILE 1 23 7.494 -4.396 -3.728 1.00 0.00 H new ATOM 0 HB ILE 1 23 10.000 -5.850 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE 1 23 7.540 -7.315 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE 1 23 7.449 -5.649 -5.216 1.00 0.00 H new ATOM 0 HG21 ILE 1 23 9.410 -8.026 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE 1 23 9.639 -6.794 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE 1 23 7.997 -7.300 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE 1 23 8.344 -7.092 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE 1 23 9.572 -5.917 -6.448 1.00 0.00 H new ATOM 0 HD13 ILE 1 23 9.664 -7.609 -5.902 1.00 0.00 H new ATOM 361 N TYR 1 24 6.794 -5.428 -1.587 1.00 0.00 N ATOM 362 CA TYR 1 24 6.183 -5.749 -0.315 1.00 0.00 C ATOM 363 C TYR 1 24 6.127 -7.262 -0.223 1.00 0.00 C ATOM 364 O TYR 1 24 6.382 -7.939 -1.212 1.00 0.00 O ATOM 365 CB TYR 1 24 4.757 -5.238 -0.293 1.00 0.00 C ATOM 366 CG TYR 1 24 4.527 -3.898 0.354 1.00 0.00 C ATOM 367 CD1 TYR 1 24 4.983 -2.724 -0.223 1.00 0.00 C ATOM 368 CD2 TYR 1 24 3.811 -3.813 1.533 1.00 0.00 C ATOM 369 CE1 TYR 1 24 4.739 -1.503 0.370 1.00 0.00 C ATOM 370 CE2 TYR 1 24 3.556 -2.603 2.127 1.00 0.00 C ATOM 371 CZ TYR 1 24 4.020 -1.450 1.544 1.00 0.00 C ATOM 372 OH TYR 1 24 3.751 -0.243 2.130 1.00 0.00 O ATOM 0 H TYR 1 24 6.203 -5.673 -2.382 1.00 0.00 H new ATOM 0 HA TYR 1 24 6.749 -5.303 0.503 1.00 0.00 H new ATOM 0 HB2 TYR 1 24 4.399 -5.185 -1.321 1.00 0.00 H new ATOM 0 HB3 TYR 1 24 4.140 -5.974 0.222 1.00 0.00 H new ATOM 0 HD1 TYR 1 24 5.537 -2.765 -1.149 1.00 0.00 H new ATOM 0 HD2 TYR 1 24 3.445 -4.717 1.996 1.00 0.00 H new ATOM 0 HE1 TYR 1 24 5.109 -0.595 -0.083 1.00 0.00 H new ATOM 0 HE2 TYR 1 24 2.994 -2.558 3.048 1.00 0.00 H new ATOM 0 HH TYR 1 24 3.003 -0.342 2.756 1.00 0.00 H new ATOM 382 N LYS 1 25 5.765 -7.807 0.920 1.00 0.00 N ATOM 383 CA LYS 1 25 5.657 -9.256 1.032 1.00 0.00 C ATOM 384 C LYS 1 25 4.226 -9.682 1.335 1.00 0.00 C ATOM 385 O LYS 1 25 3.730 -9.479 2.435 1.00 0.00 O ATOM 386 CB LYS 1 25 6.581 -9.792 2.103 1.00 0.00 C ATOM 387 CG LYS 1 25 7.986 -10.106 1.613 1.00 0.00 C ATOM 388 CD LYS 1 25 8.700 -8.857 1.119 1.00 0.00 C ATOM 389 CE LYS 1 25 10.130 -9.159 0.700 1.00 0.00 C ATOM 390 NZ LYS 1 25 10.839 -7.938 0.223 1.00 0.00 N ATOM 0 H LYS 1 25 5.544 -7.287 1.769 1.00 0.00 H new ATOM 0 HA LYS 1 25 5.952 -9.674 0.069 1.00 0.00 H new ATOM 0 HB2 LYS 1 25 6.644 -9.063 2.911 1.00 0.00 H new ATOM 0 HB3 LYS 1 25 6.144 -10.697 2.524 1.00 0.00 H new ATOM 0 HG2 LYS 1 25 8.561 -10.559 2.421 1.00 0.00 H new ATOM 0 HG3 LYS 1 25 7.936 -10.839 0.808 1.00 0.00 H new ATOM 0 HD2 LYS 1 25 8.154 -8.435 0.275 1.00 0.00 H new ATOM 0 HD3 LYS 1 25 8.702 -8.103 1.906 1.00 0.00 H new ATOM 0 HE2 LYS 1 25 10.672 -9.588 1.543 1.00 0.00 H new ATOM 0 HE3 LYS 1 25 10.126 -9.909 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS 1 25 11.216 -8.106 -0.732 1.00 0.00 H new ATOM 0 HZ2 LYS 1 25 10.174 -7.139 0.197 1.00 0.00 H new ATOM 0 HZ3 LYS 1 25 11.622 -7.716 0.870 1.00 0.00 H new ATOM 404 N VAL 1 26 3.560 -10.296 0.381 1.00 0.00 N ATOM 405 CA VAL 1 26 2.214 -10.741 0.618 1.00 0.00 C ATOM 406 C VAL 1 26 2.242 -12.036 1.386 1.00 0.00 C ATOM 407 O VAL 1 26 2.133 -13.127 0.826 1.00 0.00 O ATOM 408 CB VAL 1 26 1.378 -10.885 -0.648 1.00 0.00 C ATOM 409 CG1 VAL 1 26 0.067 -10.216 -0.401 1.00 0.00 C ATOM 410 CG2 VAL 1 26 2.068 -10.265 -1.836 1.00 0.00 C ATOM 0 H VAL 1 26 3.926 -10.494 -0.550 1.00 0.00 H new ATOM 0 HA VAL 1 26 1.724 -9.963 1.204 1.00 0.00 H new ATOM 0 HB VAL 1 26 1.236 -11.941 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 -0.558 -10.301 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 -0.433 -10.695 0.441 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 0.233 -9.163 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 1.445 -10.385 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 2.232 -9.204 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 3.027 -10.757 -1.997 1.00 0.00 H new ATOM 420 N ASP 1 27 2.433 -11.866 2.675 1.00 0.00 N ATOM 421 CA ASP 1 27 2.530 -12.975 3.621 1.00 0.00 C ATOM 422 C ASP 1 27 1.163 -13.490 4.031 1.00 0.00 C ATOM 423 O ASP 1 27 1.021 -14.649 4.419 1.00 0.00 O ATOM 424 CB ASP 1 27 3.366 -12.579 4.850 1.00 0.00 C ATOM 425 CG ASP 1 27 4.830 -12.922 4.665 1.00 0.00 C ATOM 426 OD1 ASP 1 27 5.213 -14.073 4.963 1.00 0.00 O ATOM 427 OD2 ASP 1 27 5.592 -12.040 4.217 1.00 0.00 O ATOM 0 H ASP 1 27 2.527 -10.948 3.109 1.00 0.00 H new ATOM 0 HA ASP 1 27 3.041 -13.792 3.112 1.00 0.00 H new ATOM 0 HB2 ASP 1 27 3.263 -11.509 5.031 1.00 0.00 H new ATOM 0 HB3 ASP 1 27 2.981 -13.090 5.732 1.00 0.00 H new ATOM 432 N ASP 1 28 0.157 -12.630 3.957 1.00 0.00 N ATOM 433 CA ASP 1 28 -1.189 -13.035 4.339 1.00 0.00 C ATOM 434 C ASP 1 28 -2.219 -11.946 4.057 1.00 0.00 C ATOM 435 O ASP 1 28 -2.186 -10.874 4.661 1.00 0.00 O ATOM 436 CB ASP 1 28 -1.214 -13.387 5.826 1.00 0.00 C ATOM 437 CG ASP 1 28 -2.314 -14.370 6.181 1.00 0.00 C ATOM 438 OD1 ASP 1 28 -3.011 -14.843 5.258 1.00 0.00 O ATOM 439 OD2 ASP 1 28 -2.479 -14.666 7.383 1.00 0.00 O ATOM 0 H ASP 1 28 0.243 -11.664 3.642 1.00 0.00 H new ATOM 0 HA ASP 1 28 -1.454 -13.905 3.738 1.00 0.00 H new ATOM 0 HB2 ASP 1 28 -0.250 -13.809 6.111 1.00 0.00 H new ATOM 0 HB3 ASP 1 28 -1.347 -12.475 6.408 1.00 0.00 H new ATOM 444 N LEU 1 29 -3.158 -12.240 3.164 1.00 0.00 N ATOM 445 CA LEU 1 29 -4.213 -11.302 2.848 1.00 0.00 C ATOM 446 C LEU 1 29 -5.565 -11.988 2.919 1.00 0.00 C ATOM 447 O LEU 1 29 -5.727 -13.117 2.469 1.00 0.00 O ATOM 448 CB LEU 1 29 -4.006 -10.643 1.507 1.00 0.00 C ATOM 449 CG LEU 1 29 -5.244 -10.614 0.637 1.00 0.00 C ATOM 450 CD1 LEU 1 29 -5.370 -9.294 -0.075 1.00 0.00 C ATOM 451 CD2 LEU 1 29 -5.205 -11.778 -0.307 1.00 0.00 C ATOM 0 H LEU 1 29 -3.205 -13.120 2.651 1.00 0.00 H new ATOM 0 HA LEU 1 29 -4.184 -10.508 3.594 1.00 0.00 H new ATOM 0 HB2 LEU 1 29 -3.662 -9.621 1.665 1.00 0.00 H new ATOM 0 HB3 LEU 1 29 -3.213 -11.168 0.975 1.00 0.00 H new ATOM 0 HG LEU 1 29 -6.136 -10.710 1.256 1.00 0.00 H new ATOM 0 HD11 LEU 1 29 -6.267 -9.298 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU 1 29 -5.439 -8.490 0.658 1.00 0.00 H new ATOM 0 HD13 LEU 1 29 -4.495 -9.136 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU 1 29 -6.094 -11.765 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU 1 29 -4.315 -11.710 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU 1 29 -5.178 -12.707 0.262 1.00 0.00 H new ATOM 463 N GLN 1 30 -6.511 -11.287 3.518 1.00 0.00 N ATOM 464 CA GLN 1 30 -7.866 -11.784 3.732 1.00 0.00 C ATOM 465 C GLN 1 30 -8.930 -10.811 3.286 1.00 0.00 C ATOM 466 O GLN 1 30 -8.694 -9.610 3.202 1.00 0.00 O ATOM 467 CB GLN 1 30 -8.073 -12.034 5.232 1.00 0.00 C ATOM 468 CG GLN 1 30 -8.002 -13.490 5.634 1.00 0.00 C ATOM 469 CD GLN 1 30 -6.719 -14.119 5.173 1.00 0.00 C ATOM 470 OE1 GLN 1 30 -5.838 -14.442 5.970 1.00 0.00 O ATOM 471 NE2 GLN 1 30 -6.615 -14.296 3.871 1.00 0.00 N ATOM 0 H GLN 1 30 -6.362 -10.344 3.876 1.00 0.00 H new ATOM 0 HA GLN 1 30 -7.964 -12.694 3.140 1.00 0.00 H new ATOM 0 HB2 GLN 1 30 -7.319 -11.478 5.789 1.00 0.00 H new ATOM 0 HB3 GLN 1 30 -9.044 -11.635 5.525 1.00 0.00 H new ATOM 0 HG2 GLN 1 30 -8.083 -13.575 6.718 1.00 0.00 H new ATOM 0 HG3 GLN 1 30 -8.848 -14.029 5.208 1.00 0.00 H new ATOM 0 HE21 GLN 1 30 -7.376 -14.010 3.255 1.00 0.00 H new ATOM 0 HE22 GLN 1 30 -5.774 -14.719 3.479 1.00 0.00 H new ATOM 480 N LYS 1 31 -10.142 -11.325 3.078 1.00 0.00 N ATOM 481 CA LYS 1 31 -11.234 -10.444 2.757 1.00 0.00 C ATOM 482 C LYS 1 31 -11.513 -9.733 4.070 1.00 0.00 C ATOM 483 O LYS 1 31 -11.996 -10.338 5.027 1.00 0.00 O ATOM 484 CB LYS 1 31 -12.451 -11.228 2.252 1.00 0.00 C ATOM 485 CG LYS 1 31 -13.320 -10.489 1.237 1.00 0.00 C ATOM 486 CD LYS 1 31 -12.637 -9.273 0.630 1.00 0.00 C ATOM 487 CE LYS 1 31 -13.321 -8.837 -0.655 1.00 0.00 C ATOM 488 NZ LYS 1 31 -13.126 -7.388 -0.928 1.00 0.00 N ATOM 0 H LYS 1 31 -10.376 -12.317 3.126 1.00 0.00 H new ATOM 0 HA LYS 1 31 -11.002 -9.748 1.951 1.00 0.00 H new ATOM 0 HB2 LYS 1 31 -12.104 -12.158 1.801 1.00 0.00 H new ATOM 0 HB3 LYS 1 31 -13.069 -11.500 3.107 1.00 0.00 H new ATOM 0 HG2 LYS 1 31 -13.598 -11.177 0.438 1.00 0.00 H new ATOM 0 HG3 LYS 1 31 -14.244 -10.174 1.722 1.00 0.00 H new ATOM 0 HD2 LYS 1 31 -12.648 -8.452 1.347 1.00 0.00 H new ATOM 0 HD3 LYS 1 31 -11.591 -9.505 0.427 1.00 0.00 H new ATOM 0 HE2 LYS 1 31 -12.929 -9.419 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS 1 31 -14.387 -9.053 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS 1 31 -13.459 -7.168 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS 1 31 -13.666 -6.829 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS 1 31 -12.116 -7.153 -0.849 1.00 0.00 H new ATOM 502 N ILE 1 32 -11.049 -8.501 4.157 1.00 0.00 N ATOM 503 CA ILE 1 32 -11.080 -7.767 5.408 1.00 0.00 C ATOM 504 C ILE 1 32 -11.790 -6.417 5.316 1.00 0.00 C ATOM 505 O ILE 1 32 -11.419 -5.551 4.526 1.00 0.00 O ATOM 506 CB ILE 1 32 -9.599 -7.622 5.820 1.00 0.00 C ATOM 507 CG1 ILE 1 32 -8.942 -9.004 5.721 1.00 0.00 C ATOM 508 CG2 ILE 1 32 -9.392 -7.012 7.189 1.00 0.00 C ATOM 509 CD1 ILE 1 32 -8.150 -9.406 6.920 1.00 0.00 C ATOM 0 H ILE 1 32 -10.645 -7.986 3.374 1.00 0.00 H new ATOM 0 HA ILE 1 32 -11.667 -8.303 6.154 1.00 0.00 H new ATOM 0 HB ILE 1 32 -9.129 -6.916 5.136 1.00 0.00 H new ATOM 0 HG12 ILE 1 32 -9.719 -9.749 5.549 1.00 0.00 H new ATOM 0 HG13 ILE 1 32 -8.288 -9.019 4.849 1.00 0.00 H new ATOM 0 HG21 ILE 1 32 -8.325 -6.946 7.400 1.00 0.00 H new ATOM 0 HG22 ILE 1 32 -9.829 -6.014 7.212 1.00 0.00 H new ATOM 0 HG23 ILE 1 32 -9.873 -7.636 7.942 1.00 0.00 H new ATOM 0 HD11 ILE 1 32 -7.723 -10.396 6.759 1.00 0.00 H new ATOM 0 HD12 ILE 1 32 -7.347 -8.687 7.083 1.00 0.00 H new ATOM 0 HD13 ILE 1 32 -8.800 -9.429 7.795 1.00 0.00 H new ATOM 521 N ASN 1 33 -12.821 -6.254 6.144 1.00 0.00 N ATOM 522 CA ASN 1 33 -13.601 -5.025 6.171 1.00 0.00 C ATOM 523 C ASN 1 33 -14.251 -4.784 4.817 1.00 0.00 C ATOM 524 O ASN 1 33 -14.376 -3.645 4.367 1.00 0.00 O ATOM 525 CB ASN 1 33 -12.710 -3.843 6.545 1.00 0.00 C ATOM 526 CG ASN 1 33 -12.595 -3.654 8.045 1.00 0.00 C ATOM 527 OD1 ASN 1 33 -12.693 -2.537 8.552 1.00 0.00 O ATOM 528 ND2 ASN 1 33 -12.384 -4.750 8.764 1.00 0.00 N ATOM 0 H ASN 1 33 -13.134 -6.963 6.807 1.00 0.00 H new ATOM 0 HA ASN 1 33 -14.384 -5.125 6.922 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 -11.716 -3.994 6.124 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 -13.111 -2.934 6.097 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 -12.297 -4.686 9.778 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 -12.309 -5.656 8.302 1.00 0.00 H new ATOM 535 N GLY 1 34 -14.656 -5.872 4.164 1.00 0.00 N ATOM 536 CA GLY 1 34 -15.273 -5.770 2.866 1.00 0.00 C ATOM 537 C GLY 1 34 -14.262 -5.472 1.774 1.00 0.00 C ATOM 538 O GLY 1 34 -14.629 -5.266 0.617 1.00 0.00 O ATOM 0 H GLY 1 34 -14.564 -6.824 4.519 1.00 0.00 H new ATOM 0 HA2 GLY 1 34 -15.789 -6.702 2.637 1.00 0.00 H new ATOM 0 HA3 GLY 1 34 -16.028 -4.984 2.885 1.00 0.00 H new ATOM 542 N ILE 1 35 -12.986 -5.440 2.149 1.00 0.00 N ATOM 543 CA ILE 1 35 -11.915 -5.159 1.222 1.00 0.00 C ATOM 544 C ILE 1 35 -10.760 -6.122 1.454 1.00 0.00 C ATOM 545 O ILE 1 35 -10.407 -6.411 2.595 1.00 0.00 O ATOM 546 CB ILE 1 35 -11.391 -3.717 1.398 1.00 0.00 C ATOM 547 CG1 ILE 1 35 -12.052 -3.030 2.601 1.00 0.00 C ATOM 548 CG2 ILE 1 35 -11.621 -2.907 0.130 1.00 0.00 C ATOM 549 CD1 ILE 1 35 -11.083 -2.239 3.448 1.00 0.00 C ATOM 0 H ILE 1 35 -12.675 -5.609 3.105 1.00 0.00 H new ATOM 0 HA ILE 1 35 -12.311 -5.277 0.213 1.00 0.00 H new ATOM 0 HB ILE 1 35 -10.319 -3.771 1.588 1.00 0.00 H new ATOM 0 HG12 ILE 1 35 -12.837 -2.364 2.243 1.00 0.00 H new ATOM 0 HG13 ILE 1 35 -12.533 -3.786 3.222 1.00 0.00 H new ATOM 0 HG21 ILE 1 35 -11.246 -1.894 0.272 1.00 0.00 H new ATOM 0 HG22 ILE 1 35 -11.095 -3.375 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE 1 35 -12.688 -2.871 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE 1 35 -11.617 -1.780 4.280 1.00 0.00 H new ATOM 0 HD12 ILE 1 35 -10.311 -2.904 3.835 1.00 0.00 H new ATOM 0 HD13 ILE 1 35 -10.620 -1.461 2.841 1.00 0.00 H new ATOM 561 N TRP 1 36 -10.149 -6.600 0.382 1.00 0.00 N ATOM 562 CA TRP 1 36 -9.027 -7.516 0.519 1.00 0.00 C ATOM 563 C TRP 1 36 -7.912 -6.823 1.291 1.00 0.00 C ATOM 564 O TRP 1 36 -7.556 -5.691 0.976 1.00 0.00 O ATOM 565 CB TRP 1 36 -8.537 -7.957 -0.861 1.00 0.00 C ATOM 566 CG TRP 1 36 -9.501 -8.884 -1.535 1.00 0.00 C ATOM 567 CD1 TRP 1 36 -10.242 -8.630 -2.652 1.00 0.00 C ATOM 568 CD2 TRP 1 36 -9.852 -10.208 -1.113 1.00 0.00 C ATOM 569 NE1 TRP 1 36 -11.029 -9.715 -2.953 1.00 0.00 N ATOM 570 CE2 TRP 1 36 -10.808 -10.696 -2.022 1.00 0.00 C ATOM 571 CE3 TRP 1 36 -9.449 -11.029 -0.054 1.00 0.00 C ATOM 572 CZ2 TRP 1 36 -11.370 -11.965 -1.903 1.00 0.00 C ATOM 573 CZ3 TRP 1 36 -10.009 -12.288 0.063 1.00 0.00 C ATOM 574 CH2 TRP 1 36 -10.959 -12.746 -0.857 1.00 0.00 C ATOM 0 H TRP 1 36 -10.405 -6.374 -0.579 1.00 0.00 H new ATOM 0 HA TRP 1 36 -9.341 -8.405 1.066 1.00 0.00 H new ATOM 0 HB2 TRP 1 36 -8.382 -7.078 -1.487 1.00 0.00 H new ATOM 0 HB3 TRP 1 36 -7.571 -8.451 -0.761 1.00 0.00 H new ATOM 0 HD1 TRP 1 36 -10.214 -7.710 -3.217 1.00 0.00 H new ATOM 0 HE1 TRP 1 36 -11.673 -9.780 -3.741 1.00 0.00 H new ATOM 0 HE3 TRP 1 36 -8.714 -10.686 0.659 1.00 0.00 H new ATOM 0 HZ2 TRP 1 36 -12.104 -12.320 -2.611 1.00 0.00 H new ATOM 0 HZ3 TRP 1 36 -9.708 -12.929 0.878 1.00 0.00 H new ATOM 0 HH2 TRP 1 36 -11.376 -13.735 -0.739 1.00 0.00 H new ATOM 585 N GLN 1 37 -7.384 -7.476 2.324 1.00 0.00 N ATOM 586 CA GLN 1 37 -6.345 -6.865 3.137 1.00 0.00 C ATOM 587 C GLN 1 37 -5.057 -7.637 3.050 1.00 0.00 C ATOM 588 O GLN 1 37 -5.064 -8.849 2.926 1.00 0.00 O ATOM 589 CB GLN 1 37 -6.801 -6.774 4.585 1.00 0.00 C ATOM 590 CG GLN 1 37 -5.727 -6.340 5.559 1.00 0.00 C ATOM 591 CD GLN 1 37 -5.656 -7.172 6.846 1.00 0.00 C ATOM 592 OE1 GLN 1 37 -5.753 -6.645 7.955 1.00 0.00 O ATOM 593 NE2 GLN 1 37 -5.471 -8.471 6.720 1.00 0.00 N ATOM 0 H GLN 1 37 -7.657 -8.416 2.612 1.00 0.00 H new ATOM 0 HA GLN 1 37 -6.163 -5.862 2.752 1.00 0.00 H new ATOM 0 HB2 GLN 1 37 -7.633 -6.073 4.646 1.00 0.00 H new ATOM 0 HB3 GLN 1 37 -7.181 -7.748 4.894 1.00 0.00 H new ATOM 0 HG2 GLN 1 37 -4.760 -6.387 5.058 1.00 0.00 H new ATOM 0 HG3 GLN 1 37 -5.897 -5.297 5.826 1.00 0.00 H new ATOM 0 HE21 GLN 1 37 -5.393 -8.887 5.792 1.00 0.00 H new ATOM 0 HE22 GLN 1 37 -5.406 -9.060 7.550 1.00 0.00 H new ATOM 602 N VAL 1 38 -3.953 -6.910 3.095 1.00 0.00 N ATOM 603 CA VAL 1 38 -2.642 -7.521 2.972 1.00 0.00 C ATOM 604 C VAL 1 38 -1.790 -7.450 4.232 1.00 0.00 C ATOM 605 O VAL 1 38 -1.910 -6.518 5.038 1.00 0.00 O ATOM 606 CB VAL 1 38 -1.870 -6.848 1.825 1.00 0.00 C ATOM 607 CG1 VAL 1 38 -0.572 -7.595 1.559 1.00 0.00 C ATOM 608 CG2 VAL 1 38 -2.734 -6.803 0.574 1.00 0.00 C ATOM 0 H VAL 1 38 -3.939 -5.897 3.216 1.00 0.00 H new ATOM 0 HA VAL 1 38 -2.827 -8.578 2.778 1.00 0.00 H new ATOM 0 HB VAL 1 38 -1.624 -5.825 2.111 1.00 0.00 H new ATOM 0 HG11 VAL 1 38 -0.033 -7.110 0.745 1.00 0.00 H new ATOM 0 HG12 VAL 1 38 0.044 -7.586 2.458 1.00 0.00 H new ATOM 0 HG13 VAL 1 38 -0.795 -8.626 1.283 1.00 0.00 H new ATOM 0 HG21 VAL 1 38 -2.180 -6.325 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL 1 38 -3.001 -7.818 0.280 1.00 0.00 H new ATOM 0 HG23 VAL 1 38 -3.641 -6.234 0.778 1.00 0.00 H new ATOM 618 N ARG 1 39 -0.911 -8.459 4.365 1.00 0.00 N ATOM 619 CA ARG 1 39 0.018 -8.551 5.481 1.00 0.00 C ATOM 620 C ARG 1 39 1.358 -9.145 5.038 1.00 0.00 C ATOM 621 O ARG 1 39 1.385 -10.114 4.280 1.00 0.00 O ATOM 622 CB ARG 1 39 -0.575 -9.409 6.599 1.00 0.00 C ATOM 623 CG ARG 1 39 -1.861 -8.854 7.156 1.00 0.00 C ATOM 624 CD ARG 1 39 -2.797 -9.956 7.622 1.00 0.00 C ATOM 625 NE ARG 1 39 -2.168 -10.835 8.603 1.00 0.00 N ATOM 626 CZ ARG 1 39 -2.791 -11.850 9.196 1.00 0.00 C ATOM 627 NH1 ARG 1 39 -4.059 -12.119 8.911 1.00 0.00 N ATOM 628 NH2 ARG 1 39 -2.143 -12.598 10.079 1.00 0.00 N ATOM 0 H ARG 1 39 -0.833 -9.227 3.698 1.00 0.00 H new ATOM 0 HA ARG 1 39 0.190 -7.541 5.852 1.00 0.00 H new ATOM 0 HB2 ARG 1 39 -0.755 -10.415 6.219 1.00 0.00 H new ATOM 0 HB3 ARG 1 39 0.154 -9.498 7.405 1.00 0.00 H new ATOM 0 HG2 ARG 1 39 -1.638 -8.189 7.991 1.00 0.00 H new ATOM 0 HG3 ARG 1 39 -2.358 -8.253 6.394 1.00 0.00 H new ATOM 0 HD2 ARG 1 39 -3.692 -9.511 8.057 1.00 0.00 H new ATOM 0 HD3 ARG 1 39 -3.119 -10.545 6.763 1.00 0.00 H new ATOM 0 HE ARG 1 39 -1.193 -10.661 8.848 1.00 0.00 H new ATOM 0 HH11 ARG 1 39 -4.562 -11.546 8.234 1.00 0.00 H new ATOM 0 HH12 ARG 1 39 -4.530 -12.899 9.369 1.00 0.00 H new ATOM 0 HH21 ARG 1 39 -1.169 -12.395 10.302 1.00 0.00 H new ATOM 0 HH22 ARG 1 39 -2.619 -13.377 10.535 1.00 0.00 H new ATOM 642 N ASN 1 40 2.464 -8.627 5.576 1.00 0.00 N ATOM 643 CA ASN 1 40 3.767 -9.187 5.293 1.00 0.00 C ATOM 644 C ASN 1 40 4.479 -9.418 6.586 1.00 0.00 C ATOM 645 O ASN 1 40 4.240 -8.755 7.574 1.00 0.00 O ATOM 646 CB ASN 1 40 4.699 -8.357 4.417 1.00 0.00 C ATOM 647 CG ASN 1 40 4.057 -7.209 3.687 1.00 0.00 C ATOM 648 OD1 ASN 1 40 2.899 -7.276 3.275 1.00 0.00 O ATOM 649 ND2 ASN 1 40 4.824 -6.145 3.520 1.00 0.00 N ATOM 0 H ASN 1 40 2.474 -7.825 6.206 1.00 0.00 H new ATOM 0 HA ASN 1 40 3.549 -10.092 4.726 1.00 0.00 H new ATOM 0 HB2 ASN 1 40 5.501 -7.963 5.042 1.00 0.00 H new ATOM 0 HB3 ASN 1 40 5.162 -9.017 3.683 1.00 0.00 H new ATOM 0 HD21 ASN 1 40 4.462 -5.327 3.029 1.00 0.00 H new ATOM 0 HD22 ASN 1 40 5.778 -6.142 3.882 1.00 0.00 H new ATOM 656 N ASN 1 41 5.345 -10.367 6.550 1.00 0.00 N ATOM 657 CA ASN 1 41 6.132 -10.737 7.703 1.00 0.00 C ATOM 658 C ASN 1 41 7.037 -9.591 8.195 1.00 0.00 C ATOM 659 O ASN 1 41 7.551 -9.647 9.312 1.00 0.00 O ATOM 660 CB ASN 1 41 7.001 -11.957 7.365 1.00 0.00 C ATOM 661 CG ASN 1 41 7.585 -11.896 5.954 1.00 0.00 C ATOM 662 OD1 ASN 1 41 8.078 -12.896 5.431 1.00 0.00 O ATOM 663 ND2 ASN 1 41 7.530 -10.716 5.339 1.00 0.00 N ATOM 0 H ASN 1 41 5.540 -10.923 5.717 1.00 0.00 H new ATOM 0 HA ASN 1 41 5.434 -10.973 8.506 1.00 0.00 H new ATOM 0 HB2 ASN 1 41 7.814 -12.029 8.087 1.00 0.00 H new ATOM 0 HB3 ASN 1 41 6.403 -12.863 7.467 1.00 0.00 H new ATOM 0 HD21 ASN 1 41 7.906 -10.614 4.396 1.00 0.00 H new ATOM 0 HD22 ASN 1 41 7.112 -9.914 5.811 1.00 0.00 H new ATOM 670 N ILE 1 42 7.249 -8.562 7.365 1.00 0.00 N ATOM 671 CA ILE 1 42 8.091 -7.455 7.725 1.00 0.00 C ATOM 672 C ILE 1 42 7.320 -6.435 8.526 1.00 0.00 C ATOM 673 O ILE 1 42 7.739 -6.005 9.601 1.00 0.00 O ATOM 674 CB ILE 1 42 8.607 -6.764 6.475 1.00 0.00 C ATOM 675 CG1 ILE 1 42 9.193 -7.783 5.528 1.00 0.00 C ATOM 676 CG2 ILE 1 42 9.618 -5.721 6.839 1.00 0.00 C ATOM 677 CD1 ILE 1 42 8.211 -8.174 4.465 1.00 0.00 C ATOM 0 H ILE 1 42 6.837 -8.490 6.435 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.917 -7.848 8.317 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.778 -6.267 5.972 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 10.091 -7.375 5.063 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 9.497 -8.668 6.087 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.980 -5.233 5.934 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.157 -4.979 7.491 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 10.454 -6.190 7.357 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 8.667 -8.909 3.801 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 7.324 -8.605 4.930 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.927 -7.293 3.890 1.00 0.00 H new ATOM 689 N LEU 1 43 6.176 -6.064 7.980 1.00 0.00 N ATOM 690 CA LEU 1 43 5.309 -5.111 8.616 1.00 0.00 C ATOM 691 C LEU 1 43 4.154 -5.818 9.292 1.00 0.00 C ATOM 692 O LEU 1 43 3.392 -5.200 10.030 1.00 0.00 O ATOM 693 CB LEU 1 43 4.763 -4.115 7.608 1.00 0.00 C ATOM 694 CG LEU 1 43 5.804 -3.427 6.733 1.00 0.00 C ATOM 695 CD1 LEU 1 43 7.161 -3.372 7.417 1.00 0.00 C ATOM 696 CD2 LEU 1 43 5.906 -4.117 5.386 1.00 0.00 C ATOM 0 H LEU 1 43 5.830 -6.417 7.088 1.00 0.00 H new ATOM 0 HA LEU 1 43 5.896 -4.575 9.362 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 4.054 -4.632 6.961 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 4.204 -3.350 8.146 1.00 0.00 H new ATOM 0 HG LEU 1 43 5.477 -2.400 6.572 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 7.878 -2.875 6.764 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 7.075 -2.817 8.351 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 7.504 -4.385 7.627 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 6.654 -3.612 4.774 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 6.198 -5.157 5.531 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 4.940 -4.078 4.883 1.00 0.00 H new ATOM 708 N VAL 1 44 4.005 -7.112 9.028 1.00 0.00 N ATOM 709 CA VAL 1 44 2.912 -7.849 9.624 1.00 0.00 C ATOM 710 C VAL 1 44 3.274 -9.287 9.881 1.00 0.00 C ATOM 711 O VAL 1 44 2.756 -10.204 9.243 1.00 0.00 O ATOM 712 CB VAL 1 44 1.646 -7.796 8.791 1.00 0.00 C ATOM 713 CG1 VAL 1 44 0.437 -8.049 9.676 1.00 0.00 C ATOM 714 CG2 VAL 1 44 1.540 -6.462 8.078 1.00 0.00 C ATOM 0 H VAL 1 44 4.615 -7.656 8.419 1.00 0.00 H new ATOM 0 HA VAL 1 44 2.718 -7.354 10.576 1.00 0.00 H new ATOM 0 HB VAL 1 44 1.681 -8.576 8.030 1.00 0.00 H new ATOM 0 HG11 VAL 1 44 -0.470 -8.010 9.073 1.00 0.00 H new ATOM 0 HG12 VAL 1 44 0.524 -9.033 10.138 1.00 0.00 H new ATOM 0 HG13 VAL 1 44 0.389 -7.286 10.453 1.00 0.00 H new ATOM 0 HG21 VAL 1 44 0.626 -6.439 7.484 1.00 0.00 H new ATOM 0 HG22 VAL 1 44 1.516 -5.657 8.813 1.00 0.00 H new ATOM 0 HG23 VAL 1 44 2.402 -6.330 7.424 1.00 0.00 H new ATOM 724 N PRO 1 45 4.151 -9.498 10.850 1.00 0.00 N ATOM 725 CA PRO 1 45 4.569 -10.826 11.245 1.00 0.00 C ATOM 726 C PRO 1 45 3.347 -11.682 11.494 1.00 0.00 C ATOM 727 O PRO 1 45 3.350 -12.893 11.277 1.00 0.00 O ATOM 728 CB PRO 1 45 5.316 -10.545 12.542 1.00 0.00 C ATOM 729 CG PRO 1 45 5.867 -9.194 12.359 1.00 0.00 C ATOM 730 CD PRO 1 45 4.773 -8.457 11.674 1.00 0.00 C ATOM 0 HA PRO 1 45 5.170 -11.358 10.508 1.00 0.00 H new ATOM 0 HB2 PRO 1 45 4.649 -10.589 13.403 1.00 0.00 H new ATOM 0 HB3 PRO 1 45 6.106 -11.277 12.713 1.00 0.00 H new ATOM 0 HG2 PRO 1 45 6.124 -8.734 13.313 1.00 0.00 H new ATOM 0 HG3 PRO 1 45 6.776 -9.210 11.758 1.00 0.00 H new ATOM 0 HD2 PRO 1 45 4.067 -8.027 12.385 1.00 0.00 H new ATOM 0 HD3 PRO 1 45 5.155 -7.635 11.068 1.00 0.00 H new ATOM 738 N THR 1 46 2.298 -10.998 11.935 1.00 0.00 N ATOM 739 CA THR 1 46 1.015 -11.619 12.225 1.00 0.00 C ATOM 740 C THR 1 46 0.084 -10.652 12.961 1.00 0.00 C ATOM 741 O THR 1 46 0.537 -9.790 13.714 1.00 0.00 O ATOM 742 CB THR 1 46 1.222 -12.874 13.080 1.00 0.00 C ATOM 743 OG1 THR 1 46 0.013 -13.600 13.213 1.00 0.00 O ATOM 744 CG2 THR 1 46 1.734 -12.573 14.474 1.00 0.00 C ATOM 0 H THR 1 46 2.315 -9.992 12.102 1.00 0.00 H new ATOM 0 HA THR 1 46 0.553 -11.890 11.276 1.00 0.00 H new ATOM 0 HB THR 1 46 1.975 -13.459 12.552 1.00 0.00 H new ATOM 0 HG1 THR 1 46 -0.467 -13.293 14.010 1.00 0.00 H new ATOM 0 HG21 THR 1 46 1.858 -13.505 15.025 1.00 0.00 H new ATOM 0 HG22 THR 1 46 2.694 -12.061 14.406 1.00 0.00 H new ATOM 0 HG23 THR 1 46 1.019 -11.936 14.995 1.00 0.00 H new ATOM 752 N ASP 1 47 -1.225 -10.840 12.779 1.00 0.00 N ATOM 753 CA ASP 1 47 -2.238 -10.023 13.470 1.00 0.00 C ATOM 754 C ASP 1 47 -2.371 -8.587 12.962 1.00 0.00 C ATOM 755 O ASP 1 47 -2.318 -7.643 13.752 1.00 0.00 O ATOM 756 CB ASP 1 47 -1.914 -9.932 14.943 1.00 0.00 C ATOM 757 CG ASP 1 47 -1.249 -11.179 15.501 1.00 0.00 C ATOM 758 OD1 ASP 1 47 -1.497 -12.278 14.961 1.00 0.00 O ATOM 759 OD2 ASP 1 47 -0.479 -11.055 16.477 1.00 0.00 O ATOM 0 H ASP 1 47 -1.614 -11.551 12.159 1.00 0.00 H new ATOM 0 HA ASP 1 47 -3.178 -10.536 13.270 1.00 0.00 H new ATOM 0 HB2 ASP 1 47 -1.259 -9.077 15.110 1.00 0.00 H new ATOM 0 HB3 ASP 1 47 -2.833 -9.743 15.497 1.00 0.00 H new ATOM 764 N PHE 1 48 -2.637 -8.413 11.683 1.00 0.00 N ATOM 765 CA PHE 1 48 -2.849 -7.102 11.139 1.00 0.00 C ATOM 766 C PHE 1 48 -4.275 -6.724 11.434 1.00 0.00 C ATOM 767 O PHE 1 48 -5.194 -7.345 10.913 1.00 0.00 O ATOM 768 CB PHE 1 48 -2.636 -7.117 9.634 1.00 0.00 C ATOM 769 CG PHE 1 48 -1.843 -5.969 9.056 1.00 0.00 C ATOM 770 CD1 PHE 1 48 -1.233 -5.000 9.846 1.00 0.00 C ATOM 771 CD2 PHE 1 48 -1.692 -5.884 7.688 1.00 0.00 C ATOM 772 CE1 PHE 1 48 -0.500 -3.981 9.262 1.00 0.00 C ATOM 773 CE2 PHE 1 48 -0.963 -4.877 7.110 1.00 0.00 C ATOM 774 CZ PHE 1 48 -0.369 -3.923 7.894 1.00 0.00 C ATOM 0 H PHE 1 48 -2.710 -9.171 11.005 1.00 0.00 H new ATOM 0 HA PHE 1 48 -2.150 -6.390 11.578 1.00 0.00 H new ATOM 0 HB2 PHE 1 48 -2.133 -8.047 9.370 1.00 0.00 H new ATOM 0 HB3 PHE 1 48 -3.613 -7.135 9.151 1.00 0.00 H new ATOM 0 HD1 PHE 1 48 -1.332 -5.043 10.921 1.00 0.00 H new ATOM 0 HD2 PHE 1 48 -2.158 -6.627 7.058 1.00 0.00 H new ATOM 0 HE1 PHE 1 48 -0.031 -3.231 9.881 1.00 0.00 H new ATOM 0 HE2 PHE 1 48 -0.857 -4.836 6.036 1.00 0.00 H new ATOM 0 HZ PHE 1 48 0.201 -3.127 7.439 1.00 0.00 H new ATOM 784 N THR 1 49 -4.467 -5.747 12.282 1.00 0.00 N ATOM 785 CA THR 1 49 -5.809 -5.337 12.646 1.00 0.00 C ATOM 786 C THR 1 49 -6.666 -5.184 11.409 1.00 0.00 C ATOM 787 O THR 1 49 -6.738 -4.118 10.802 1.00 0.00 O ATOM 788 CB THR 1 49 -5.806 -4.024 13.403 1.00 0.00 C ATOM 789 OG1 THR 1 49 -4.560 -3.808 14.039 1.00 0.00 O ATOM 790 CG2 THR 1 49 -6.881 -3.945 14.444 1.00 0.00 C ATOM 0 H THR 1 49 -3.720 -5.220 12.734 1.00 0.00 H new ATOM 0 HA THR 1 49 -6.219 -6.114 13.292 1.00 0.00 H new ATOM 0 HB THR 1 49 -5.993 -3.255 12.653 1.00 0.00 H new ATOM 0 HG1 THR 1 49 -4.524 -2.892 14.385 1.00 0.00 H new ATOM 0 HG21 THR 1 49 -6.826 -2.982 14.951 1.00 0.00 H new ATOM 0 HG22 THR 1 49 -7.856 -4.050 13.969 1.00 0.00 H new ATOM 0 HG23 THR 1 49 -6.743 -4.746 15.171 1.00 0.00 H new ATOM 798 N TRP 1 50 -7.333 -6.264 11.068 1.00 0.00 N ATOM 799 CA TRP 1 50 -8.221 -6.303 9.921 1.00 0.00 C ATOM 800 C TRP 1 50 -9.106 -5.058 9.882 1.00 0.00 C ATOM 801 O TRP 1 50 -9.552 -4.619 8.823 1.00 0.00 O ATOM 802 CB TRP 1 50 -9.128 -7.521 10.054 1.00 0.00 C ATOM 803 CG TRP 1 50 -8.494 -8.857 9.787 1.00 0.00 C ATOM 804 CD1 TRP 1 50 -7.160 -9.148 9.718 1.00 0.00 C ATOM 805 CD2 TRP 1 50 -9.182 -10.096 9.566 1.00 0.00 C ATOM 806 NE1 TRP 1 50 -6.980 -10.486 9.463 1.00 0.00 N ATOM 807 CE2 TRP 1 50 -8.206 -11.091 9.369 1.00 0.00 C ATOM 808 CE3 TRP 1 50 -10.531 -10.458 9.516 1.00 0.00 C ATOM 809 CZ2 TRP 1 50 -8.537 -12.422 9.125 1.00 0.00 C ATOM 810 CZ3 TRP 1 50 -10.859 -11.778 9.274 1.00 0.00 C ATOM 811 CH2 TRP 1 50 -9.866 -12.747 9.082 1.00 0.00 C ATOM 0 H TRP 1 50 -7.276 -7.145 11.579 1.00 0.00 H new ATOM 0 HA TRP 1 50 -7.621 -6.349 9.012 1.00 0.00 H new ATOM 0 HB2 TRP 1 50 -9.538 -7.533 11.064 1.00 0.00 H new ATOM 0 HB3 TRP 1 50 -9.968 -7.398 9.370 1.00 0.00 H new ATOM 0 HD1 TRP 1 50 -6.363 -8.430 9.845 1.00 0.00 H new ATOM 0 HE1 TRP 1 50 -6.079 -10.954 9.360 1.00 0.00 H new ATOM 0 HE3 TRP 1 50 -11.304 -9.718 9.664 1.00 0.00 H new ATOM 0 HZ2 TRP 1 50 -7.773 -13.170 8.975 1.00 0.00 H new ATOM 0 HZ3 TRP 1 50 -11.899 -12.068 9.232 1.00 0.00 H new ATOM 0 HH2 TRP 1 50 -10.155 -13.771 8.896 1.00 0.00 H new ATOM 822 N VAL 1 51 -9.359 -4.516 11.062 1.00 0.00 N ATOM 823 CA VAL 1 51 -10.199 -3.339 11.222 1.00 0.00 C ATOM 824 C VAL 1 51 -9.731 -2.211 10.351 1.00 0.00 C ATOM 825 O VAL 1 51 -10.480 -1.653 9.550 1.00 0.00 O ATOM 826 CB VAL 1 51 -10.228 -2.844 12.689 1.00 0.00 C ATOM 827 CG1 VAL 1 51 -8.894 -2.249 13.114 1.00 0.00 C ATOM 828 CG2 VAL 1 51 -11.337 -1.827 12.894 1.00 0.00 C ATOM 0 H VAL 1 51 -8.987 -4.881 11.939 1.00 0.00 H new ATOM 0 HA VAL 1 51 -11.203 -3.642 10.926 1.00 0.00 H new ATOM 0 HB VAL 1 51 -10.422 -3.715 13.315 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -8.958 -1.914 14.149 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -8.114 -3.005 13.025 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -8.653 -1.401 12.473 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -11.338 -1.494 13.932 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -11.172 -0.972 12.238 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -12.298 -2.284 12.659 1.00 0.00 H new ATOM 838 N ASP 1 52 -8.493 -1.863 10.558 1.00 0.00 N ATOM 839 CA ASP 1 52 -7.898 -0.762 9.840 1.00 0.00 C ATOM 840 C ASP 1 52 -6.401 -0.894 9.666 1.00 0.00 C ATOM 841 O ASP 1 52 -5.794 -0.145 8.905 1.00 0.00 O ATOM 842 CB ASP 1 52 -8.190 0.509 10.602 1.00 0.00 C ATOM 843 CG ASP 1 52 -7.747 1.757 9.862 1.00 0.00 C ATOM 844 OD1 ASP 1 52 -7.468 1.659 8.649 1.00 0.00 O ATOM 845 OD2 ASP 1 52 -7.677 2.830 10.498 1.00 0.00 O ATOM 0 H ASP 1 52 -7.870 -2.325 11.220 1.00 0.00 H new ATOM 0 HA ASP 1 52 -8.331 -0.752 8.840 1.00 0.00 H new ATOM 0 HB2 ASP 1 52 -9.260 0.570 10.799 1.00 0.00 H new ATOM 0 HB3 ASP 1 52 -7.689 0.470 11.569 1.00 0.00 H new ATOM 850 N ASN 1 53 -5.801 -1.825 10.367 1.00 0.00 N ATOM 851 CA ASN 1 53 -4.365 -1.998 10.267 1.00 0.00 C ATOM 852 C ASN 1 53 -4.017 -2.913 9.143 1.00 0.00 C ATOM 853 O ASN 1 53 -2.870 -2.983 8.705 1.00 0.00 O ATOM 854 CB ASN 1 53 -3.765 -2.486 11.578 1.00 0.00 C ATOM 855 CG ASN 1 53 -3.991 -1.530 12.753 1.00 0.00 C ATOM 856 OD1 ASN 1 53 -3.469 -1.756 13.844 1.00 0.00 O ATOM 857 ND2 ASN 1 53 -4.748 -0.448 12.546 1.00 0.00 N ATOM 0 H ASN 1 53 -6.272 -2.467 11.004 1.00 0.00 H new ATOM 0 HA ASN 1 53 -3.930 -1.021 10.056 1.00 0.00 H new ATOM 0 HB2 ASN 1 53 -4.194 -3.457 11.824 1.00 0.00 H new ATOM 0 HB3 ASN 1 53 -2.694 -2.635 11.444 1.00 0.00 H new ATOM 0 HD21 ASN 1 53 -4.906 0.217 13.304 1.00 0.00 H new ATOM 0 HD22 ASN 1 53 -5.168 -0.287 11.631 1.00 0.00 H new ATOM 864 N GLY 1 54 -5.024 -3.546 8.624 1.00 0.00 N ATOM 865 CA GLY 1 54 -4.849 -4.360 7.514 1.00 0.00 C ATOM 866 C GLY 1 54 -4.848 -3.511 6.282 1.00 0.00 C ATOM 867 O GLY 1 54 -5.589 -2.532 6.192 1.00 0.00 O ATOM 0 H GLY 1 54 -5.980 -3.497 8.975 1.00 0.00 H new ATOM 0 HA2 GLY 1 54 -3.911 -4.909 7.594 1.00 0.00 H new ATOM 0 HA3 GLY 1 54 -5.647 -5.100 7.460 1.00 0.00 H new ATOM 871 N ILE 1 55 -4.018 -3.862 5.346 1.00 0.00 N ATOM 872 CA ILE 1 55 -3.924 -3.088 4.121 1.00 0.00 C ATOM 873 C ILE 1 55 -4.996 -3.491 3.128 1.00 0.00 C ATOM 874 O ILE 1 55 -4.993 -4.607 2.641 1.00 0.00 O ATOM 875 CB ILE 1 55 -2.551 -3.256 3.421 1.00 0.00 C ATOM 876 CG1 ILE 1 55 -2.701 -3.283 1.921 1.00 0.00 C ATOM 877 CG2 ILE 1 55 -1.827 -4.470 3.865 1.00 0.00 C ATOM 878 CD1 ILE 1 55 -2.503 -1.937 1.328 1.00 0.00 C ATOM 0 H ILE 1 55 -3.397 -4.670 5.395 1.00 0.00 H new ATOM 0 HA ILE 1 55 -4.054 -2.049 4.422 1.00 0.00 H new ATOM 0 HB ILE 1 55 -1.960 -2.388 3.711 1.00 0.00 H new ATOM 0 HG12 ILE 1 55 -1.978 -3.979 1.495 1.00 0.00 H new ATOM 0 HG13 ILE 1 55 -3.692 -3.654 1.660 1.00 0.00 H new ATOM 0 HG21 ILE 1 55 -0.873 -4.536 3.342 1.00 0.00 H new ATOM 0 HG22 ILE 1 55 -1.649 -4.415 4.939 1.00 0.00 H new ATOM 0 HG23 ILE 1 55 -2.426 -5.353 3.641 1.00 0.00 H new ATOM 0 HD11 ILE 1 55 -2.619 -1.996 0.246 1.00 0.00 H new ATOM 0 HD12 ILE 1 55 -3.243 -1.248 1.735 1.00 0.00 H new ATOM 0 HD13 ILE 1 55 -1.502 -1.578 1.567 1.00 0.00 H new ATOM 890 N ALA 1 56 -5.891 -2.574 2.778 1.00 0.00 N ATOM 891 CA ALA 1 56 -6.884 -2.900 1.787 1.00 0.00 C ATOM 892 C ALA 1 56 -6.192 -3.034 0.457 1.00 0.00 C ATOM 893 O ALA 1 56 -6.037 -2.068 -0.287 1.00 0.00 O ATOM 894 CB ALA 1 56 -8.011 -1.881 1.751 1.00 0.00 C ATOM 0 H ALA 1 56 -5.943 -1.629 3.158 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.361 -3.846 2.044 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -8.736 -2.167 0.989 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -8.501 -1.846 2.724 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.605 -0.898 1.514 1.00 0.00 H new ATOM 900 N ALA 1 57 -5.721 -4.244 0.210 1.00 0.00 N ATOM 901 CA ALA 1 57 -4.967 -4.558 -0.982 1.00 0.00 C ATOM 902 C ALA 1 57 -5.427 -3.791 -2.219 1.00 0.00 C ATOM 903 O ALA 1 57 -4.619 -3.433 -3.071 1.00 0.00 O ATOM 904 CB ALA 1 57 -4.990 -6.049 -1.252 1.00 0.00 C ATOM 0 H ALA 1 57 -5.854 -5.038 0.837 1.00 0.00 H new ATOM 0 HA ALA 1 57 -3.945 -4.236 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA 1 57 -4.417 -6.264 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA 1 57 -4.550 -6.579 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA 1 57 -6.020 -6.378 -1.390 1.00 0.00 H new ATOM 910 N ASP 1 58 -6.719 -3.539 -2.316 1.00 0.00 N ATOM 911 CA ASP 1 58 -7.263 -2.817 -3.458 1.00 0.00 C ATOM 912 C ASP 1 58 -6.543 -1.490 -3.648 1.00 0.00 C ATOM 913 O ASP 1 58 -6.354 -1.025 -4.772 1.00 0.00 O ATOM 914 CB ASP 1 58 -8.749 -2.583 -3.277 1.00 0.00 C ATOM 915 CG ASP 1 58 -9.431 -2.141 -4.556 1.00 0.00 C ATOM 916 OD1 ASP 1 58 -9.655 -2.998 -5.438 1.00 0.00 O ATOM 917 OD2 ASP 1 58 -9.742 -0.937 -4.678 1.00 0.00 O ATOM 0 H ASP 1 58 -7.412 -3.821 -1.622 1.00 0.00 H new ATOM 0 HA ASP 1 58 -7.109 -3.425 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP 1 58 -9.216 -3.500 -2.919 1.00 0.00 H new ATOM 0 HB3 ASP 1 58 -8.903 -1.826 -2.508 1.00 0.00 H new ATOM 922 N ASP 1 59 -6.143 -0.891 -2.537 1.00 0.00 N ATOM 923 CA ASP 1 59 -5.444 0.367 -2.549 1.00 0.00 C ATOM 924 C ASP 1 59 -4.034 0.226 -3.102 1.00 0.00 C ATOM 925 O ASP 1 59 -3.475 1.186 -3.634 1.00 0.00 O ATOM 926 CB ASP 1 59 -5.367 0.891 -1.129 1.00 0.00 C ATOM 927 CG ASP 1 59 -6.729 1.147 -0.534 1.00 0.00 C ATOM 928 OD1 ASP 1 59 -7.523 0.188 -0.427 1.00 0.00 O ATOM 929 OD2 ASP 1 59 -7.006 2.309 -0.174 1.00 0.00 O ATOM 0 H ASP 1 59 -6.299 -1.272 -1.604 1.00 0.00 H new ATOM 0 HA ASP 1 59 -5.990 1.056 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP 1 59 -4.832 0.172 -0.508 1.00 0.00 H new ATOM 0 HB3 ASP 1 59 -4.789 1.815 -1.117 1.00 0.00 H new ATOM 934 N VAL 1 60 -3.443 -0.958 -2.960 1.00 0.00 N ATOM 935 CA VAL 1 60 -2.104 -1.166 -3.435 1.00 0.00 C ATOM 936 C VAL 1 60 -2.078 -1.844 -4.779 1.00 0.00 C ATOM 937 O VAL 1 60 -3.108 -2.018 -5.430 1.00 0.00 O ATOM 938 CB VAL 1 60 -1.286 -1.959 -2.442 1.00 0.00 C ATOM 939 CG1 VAL 1 60 -1.235 -1.218 -1.135 1.00 0.00 C ATOM 940 CG2 VAL 1 60 -1.843 -3.348 -2.291 1.00 0.00 C ATOM 0 H VAL 1 60 -3.876 -1.772 -2.523 1.00 0.00 H new ATOM 0 HA VAL 1 60 -1.659 -0.178 -3.548 1.00 0.00 H new ATOM 0 HB VAL 1 60 -0.264 -2.069 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL 1 60 -0.646 -1.788 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL 1 60 -0.776 -0.241 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL 1 60 -2.247 -1.087 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL 1 60 -1.242 -3.905 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL 1 60 -2.872 -3.291 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL 1 60 -1.819 -3.856 -3.255 1.00 0.00 H new ATOM 950 N ILE 1 61 -0.882 -2.178 -5.210 1.00 0.00 N ATOM 951 CA ILE 1 61 -0.684 -2.775 -6.485 1.00 0.00 C ATOM 952 C ILE 1 61 0.403 -3.822 -6.444 1.00 0.00 C ATOM 953 O ILE 1 61 1.588 -3.510 -6.359 1.00 0.00 O ATOM 954 CB ILE 1 61 -0.347 -1.685 -7.466 1.00 0.00 C ATOM 955 CG1 ILE 1 61 0.076 -0.449 -6.720 1.00 0.00 C ATOM 956 CG2 ILE 1 61 -1.591 -1.351 -8.209 1.00 0.00 C ATOM 957 CD1 ILE 1 61 1.209 0.296 -7.341 1.00 0.00 C ATOM 0 H ILE 1 61 -0.025 -2.037 -4.675 1.00 0.00 H new ATOM 0 HA ILE 1 61 -1.596 -3.286 -6.793 1.00 0.00 H new ATOM 0 HB ILE 1 61 0.452 -2.015 -8.130 1.00 0.00 H new ATOM 0 HG12 ILE 1 61 -0.780 0.221 -6.638 1.00 0.00 H new ATOM 0 HG13 ILE 1 61 0.357 -0.732 -5.706 1.00 0.00 H new ATOM 0 HG21 ILE 1 61 -1.383 -0.562 -8.931 1.00 0.00 H new ATOM 0 HG22 ILE 1 61 -1.951 -2.237 -8.733 1.00 0.00 H new ATOM 0 HG23 ILE 1 61 -2.353 -1.010 -7.508 1.00 0.00 H new ATOM 0 HD11 ILE 1 61 1.445 1.171 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE 1 61 2.083 -0.352 -7.398 1.00 0.00 H new ATOM 0 HD13 ILE 1 61 0.928 0.615 -8.345 1.00 0.00 H new ATOM 969 N GLU 1 62 -0.024 -5.067 -6.482 1.00 0.00 N ATOM 970 CA GLU 1 62 0.890 -6.194 -6.413 1.00 0.00 C ATOM 971 C GLU 1 62 1.802 -6.283 -7.619 1.00 0.00 C ATOM 972 O GLU 1 62 1.354 -6.305 -8.763 1.00 0.00 O ATOM 973 CB GLU 1 62 0.101 -7.493 -6.196 1.00 0.00 C ATOM 974 CG GLU 1 62 0.120 -8.476 -7.361 1.00 0.00 C ATOM 975 CD GLU 1 62 -0.396 -9.846 -6.968 1.00 0.00 C ATOM 976 OE1 GLU 1 62 -1.181 -9.931 -5.999 1.00 0.00 O ATOM 977 OE2 GLU 1 62 -0.015 -10.836 -7.628 1.00 0.00 O ATOM 0 H GLU 1 62 -1.007 -5.328 -6.561 1.00 0.00 H new ATOM 0 HA GLU 1 62 1.548 -6.037 -5.558 1.00 0.00 H new ATOM 0 HB2 GLU 1 62 0.498 -7.995 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU 1 62 -0.935 -7.236 -5.978 1.00 0.00 H new ATOM 0 HG2 GLU 1 62 -0.487 -8.082 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU 1 62 1.138 -8.569 -7.738 1.00 0.00 H new ATOM 984 N VAL 1 63 3.095 -6.344 -7.340 1.00 0.00 N ATOM 985 CA VAL 1 63 4.084 -6.446 -8.385 1.00 0.00 C ATOM 986 C VAL 1 63 4.843 -7.763 -8.283 1.00 0.00 C ATOM 987 O VAL 1 63 4.853 -8.402 -7.232 1.00 0.00 O ATOM 988 CB VAL 1 63 5.099 -5.295 -8.308 1.00 0.00 C ATOM 989 CG1 VAL 1 63 4.462 -3.972 -8.693 1.00 0.00 C ATOM 990 CG2 VAL 1 63 5.711 -5.215 -6.920 1.00 0.00 C ATOM 0 H VAL 1 63 3.478 -6.324 -6.395 1.00 0.00 H new ATOM 0 HA VAL 1 63 3.550 -6.396 -9.334 1.00 0.00 H new ATOM 0 HB VAL 1 63 5.894 -5.501 -9.024 1.00 0.00 H new ATOM 0 HG11 VAL 1 63 5.206 -3.178 -8.628 1.00 0.00 H new ATOM 0 HG12 VAL 1 63 4.084 -4.033 -9.714 1.00 0.00 H new ATOM 0 HG13 VAL 1 63 3.638 -3.754 -8.014 1.00 0.00 H new ATOM 0 HG21 VAL 1 63 6.427 -4.394 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL 1 63 4.925 -5.042 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL 1 63 6.221 -6.151 -6.693 1.00 0.00 H new ATOM 1000 N THR 1 64 5.503 -8.153 -9.371 1.00 0.00 N ATOM 1001 CA THR 1 64 6.283 -9.386 -9.374 1.00 0.00 C ATOM 1002 C THR 1 64 7.656 -9.108 -8.789 1.00 0.00 C ATOM 1003 O THR 1 64 8.046 -7.945 -8.680 1.00 0.00 O ATOM 1004 CB THR 1 64 6.400 -9.979 -10.788 1.00 0.00 C ATOM 1005 OG1 THR 1 64 7.494 -9.424 -11.502 1.00 0.00 O ATOM 1006 CG2 THR 1 64 5.153 -9.789 -11.630 1.00 0.00 C ATOM 0 H THR 1 64 5.513 -7.639 -10.252 1.00 0.00 H new ATOM 0 HA THR 1 64 5.769 -10.126 -8.761 1.00 0.00 H new ATOM 0 HB THR 1 64 6.551 -11.046 -10.624 1.00 0.00 H new ATOM 0 HG1 THR 1 64 7.539 -9.825 -12.395 1.00 0.00 H new ATOM 0 HG21 THR 1 64 5.307 -10.232 -12.614 1.00 0.00 H new ATOM 0 HG22 THR 1 64 4.307 -10.274 -11.142 1.00 0.00 H new ATOM 0 HG23 THR 1 64 4.947 -8.724 -11.740 1.00 0.00 H new ATOM 1014 N SER 1 65 8.371 -10.172 -8.413 1.00 0.00 N ATOM 1015 CA SER 1 65 9.700 -10.068 -7.799 1.00 0.00 C ATOM 1016 C SER 1 65 10.549 -8.950 -8.403 1.00 0.00 C ATOM 1017 O SER 1 65 11.322 -8.304 -7.696 1.00 0.00 O ATOM 1018 CB SER 1 65 10.441 -11.401 -7.927 1.00 0.00 C ATOM 1019 OG SER 1 65 11.026 -11.779 -6.693 1.00 0.00 O ATOM 0 H SER 1 65 8.045 -11.132 -8.525 1.00 0.00 H new ATOM 0 HA SER 1 65 9.543 -9.822 -6.749 1.00 0.00 H new ATOM 0 HB2 SER 1 65 9.749 -12.175 -8.257 1.00 0.00 H new ATOM 0 HB3 SER 1 65 11.215 -11.319 -8.690 1.00 0.00 H new ATOM 0 HG SER 1 65 10.329 -12.111 -6.089 1.00 0.00 H new ATOM 1173 N GLN 1 76 -3.449 -11.068 -4.760 1.00 0.00 N ATOM 1174 CA GLN 1 76 -3.449 -12.370 -4.117 1.00 0.00 C ATOM 1175 C GLN 1 76 -2.233 -12.504 -3.213 1.00 0.00 C ATOM 1176 O GLN 1 76 -1.112 -12.181 -3.604 1.00 0.00 O ATOM 1177 CB GLN 1 76 -3.453 -13.488 -5.157 1.00 0.00 C ATOM 1178 CG GLN 1 76 -4.612 -13.403 -6.139 1.00 0.00 C ATOM 1179 CD GLN 1 76 -4.867 -14.713 -6.857 1.00 0.00 C ATOM 1180 OE1 GLN 1 76 -5.433 -15.645 -6.287 1.00 0.00 O ATOM 1181 NE2 GLN 1 76 -4.451 -14.789 -8.115 1.00 0.00 N ATOM 0 HA GLN 1 76 -4.354 -12.457 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 -2.515 -13.460 -5.712 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 -3.492 -14.449 -4.645 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 -5.514 -13.104 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 -4.404 -12.625 -6.874 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 -3.986 -13.991 -8.547 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 -4.596 -15.646 -8.649 1.00 0.00 H new ATOM 1190 N LYS 1 77 -2.467 -12.979 -2.004 1.00 0.00 N ATOM 1191 CA LYS 1 77 -1.395 -13.151 -1.024 1.00 0.00 C ATOM 1192 C LYS 1 77 -0.520 -14.351 -1.308 1.00 0.00 C ATOM 1193 O LYS 1 77 -0.958 -15.342 -1.892 1.00 0.00 O ATOM 1194 CB LYS 1 77 -1.926 -13.246 0.399 1.00 0.00 C ATOM 1195 CG LYS 1 77 -2.424 -14.630 0.801 1.00 0.00 C ATOM 1196 CD LYS 1 77 -3.890 -14.834 0.446 1.00 0.00 C ATOM 1197 CE LYS 1 77 -4.270 -16.306 0.463 1.00 0.00 C ATOM 1198 NZ LYS 1 77 -5.742 -16.500 0.589 1.00 0.00 N ATOM 0 H LYS 1 77 -3.390 -13.255 -1.670 1.00 0.00 H new ATOM 0 HA LYS 1 77 -0.783 -12.254 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 -1.137 -12.944 1.088 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 -2.742 -12.533 0.517 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 -1.822 -15.390 0.304 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 -2.288 -14.767 1.874 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 -4.515 -14.288 1.152 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 -4.087 -14.418 -0.542 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 -3.918 -16.782 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 -3.766 -16.801 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 -5.959 -17.517 0.597 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 -6.074 -16.068 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 -6.222 -16.050 -0.217 1.00 0.00 H new ATOM 1212 N GLY 1 78 0.730 -14.246 -0.878 1.00 0.00 N ATOM 1213 CA GLY 1 78 1.669 -15.315 -1.073 1.00 0.00 C ATOM 1214 C GLY 1 78 2.821 -14.883 -1.933 1.00 0.00 C ATOM 1215 O GLY 1 78 3.529 -15.721 -2.493 1.00 0.00 O ATOM 0 H GLY 1 78 1.106 -13.430 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY 1 78 2.042 -15.654 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY 1 78 1.165 -16.163 -1.536 1.00 0.00 H new ATOM 1219 N GLY 1 79 3.011 -13.570 -2.062 1.00 0.00 N ATOM 1220 CA GLY 1 79 4.097 -13.106 -2.892 1.00 0.00 C ATOM 1221 C GLY 1 79 4.680 -11.776 -2.478 1.00 0.00 C ATOM 1222 O GLY 1 79 5.365 -11.669 -1.462 1.00 0.00 O ATOM 0 H GLY 1 79 2.448 -12.844 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY 1 79 4.890 -13.854 -2.882 1.00 0.00 H new ATOM 0 HA3 GLY 1 79 3.744 -13.029 -3.920 1.00 0.00 H new ATOM 1226 N TYR 1 80 4.416 -10.772 -3.298 1.00 0.00 N ATOM 1227 CA TYR 1 80 4.907 -9.428 -3.073 1.00 0.00 C ATOM 1228 C TYR 1 80 3.952 -8.430 -3.693 1.00 0.00 C ATOM 1229 O TYR 1 80 3.194 -8.770 -4.601 1.00 0.00 O ATOM 1230 CB TYR 1 80 6.301 -9.247 -3.698 1.00 0.00 C ATOM 1231 CG TYR 1 80 7.023 -10.539 -4.015 1.00 0.00 C ATOM 1232 CD1 TYR 1 80 6.673 -11.298 -5.125 1.00 0.00 C ATOM 1233 CD2 TYR 1 80 8.056 -10.995 -3.207 1.00 0.00 C ATOM 1234 CE1 TYR 1 80 7.332 -12.477 -5.420 1.00 0.00 C ATOM 1235 CE2 TYR 1 80 8.721 -12.172 -3.494 1.00 0.00 C ATOM 1236 CZ TYR 1 80 8.355 -12.909 -4.601 1.00 0.00 C ATOM 1237 OH TYR 1 80 9.015 -14.082 -4.890 1.00 0.00 O ATOM 0 H TYR 1 80 3.852 -10.870 -4.142 1.00 0.00 H new ATOM 0 HA TYR 1 80 4.977 -9.261 -1.998 1.00 0.00 H new ATOM 0 HB2 TYR 1 80 6.201 -8.668 -4.616 1.00 0.00 H new ATOM 0 HB3 TYR 1 80 6.917 -8.660 -3.016 1.00 0.00 H new ATOM 0 HD1 TYR 1 80 5.873 -10.961 -5.768 1.00 0.00 H new ATOM 0 HD2 TYR 1 80 8.345 -10.420 -2.339 1.00 0.00 H new ATOM 0 HE1 TYR 1 80 7.048 -13.056 -6.286 1.00 0.00 H new ATOM 0 HE2 TYR 1 80 9.522 -12.513 -2.855 1.00 0.00 H new ATOM 0 HH TYR 1 80 9.708 -14.242 -4.216 1.00 0.00 H new ATOM 1247 N PHE 1 81 4.022 -7.193 -3.249 1.00 0.00 N ATOM 1248 CA PHE 1 81 3.185 -6.159 -3.828 1.00 0.00 C ATOM 1249 C PHE 1 81 3.822 -4.815 -3.687 1.00 0.00 C ATOM 1250 O PHE 1 81 4.832 -4.647 -3.040 1.00 0.00 O ATOM 1251 CB PHE 1 81 1.787 -6.105 -3.224 1.00 0.00 C ATOM 1252 CG PHE 1 81 1.772 -6.013 -1.737 1.00 0.00 C ATOM 1253 CD1 PHE 1 81 2.294 -7.040 -0.975 1.00 0.00 C ATOM 1254 CD2 PHE 1 81 1.209 -4.912 -1.101 1.00 0.00 C ATOM 1255 CE1 PHE 1 81 2.260 -6.974 0.404 1.00 0.00 C ATOM 1256 CE2 PHE 1 81 1.168 -4.842 0.266 1.00 0.00 C ATOM 1257 CZ PHE 1 81 1.691 -5.873 1.026 1.00 0.00 C ATOM 0 H PHE 1 81 4.640 -6.880 -2.500 1.00 0.00 H new ATOM 0 HA PHE 1 81 3.083 -6.422 -4.881 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 1.257 -5.246 -3.636 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 1.236 -6.995 -3.528 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 2.731 -7.900 -1.461 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 0.800 -4.105 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 2.675 -7.777 0.996 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 0.728 -3.983 0.750 1.00 0.00 H new ATOM 0 HZ PHE 1 81 1.656 -5.820 2.104 1.00 0.00 H new ATOM 1267 N VAL 1 82 3.216 -3.853 -4.295 1.00 0.00 N ATOM 1268 CA VAL 1 82 3.724 -2.520 -4.224 1.00 0.00 C ATOM 1269 C VAL 1 82 2.562 -1.591 -3.989 1.00 0.00 C ATOM 1270 O VAL 1 82 1.604 -1.606 -4.742 1.00 0.00 O ATOM 1271 CB VAL 1 82 4.481 -2.194 -5.531 1.00 0.00 C ATOM 1272 CG1 VAL 1 82 4.112 -0.827 -6.093 1.00 0.00 C ATOM 1273 CG2 VAL 1 82 5.982 -2.297 -5.308 1.00 0.00 C ATOM 0 H VAL 1 82 2.366 -3.962 -4.849 1.00 0.00 H new ATOM 0 HA VAL 1 82 4.431 -2.403 -3.403 1.00 0.00 H new ATOM 0 HB VAL 1 82 4.177 -2.931 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL 1 82 4.672 -0.648 -7.011 1.00 0.00 H new ATOM 0 HG12 VAL 1 82 3.044 -0.798 -6.308 1.00 0.00 H new ATOM 0 HG13 VAL 1 82 4.356 -0.055 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL 1 82 6.504 -2.065 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL 1 82 6.284 -1.590 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL 1 82 6.234 -3.309 -4.993 1.00 0.00 H new ATOM 1283 N ILE 1 83 2.635 -0.797 -2.937 1.00 0.00 N ATOM 1284 CA ILE 1 83 1.552 0.104 -2.625 1.00 0.00 C ATOM 1285 C ILE 1 83 1.542 1.261 -3.579 1.00 0.00 C ATOM 1286 O ILE 1 83 2.435 2.105 -3.546 1.00 0.00 O ATOM 1287 CB ILE 1 83 1.682 0.674 -1.212 1.00 0.00 C ATOM 1288 CG1 ILE 1 83 1.469 -0.396 -0.129 1.00 0.00 C ATOM 1289 CG2 ILE 1 83 0.723 1.841 -1.002 1.00 0.00 C ATOM 1290 CD1 ILE 1 83 1.784 -1.814 -0.553 1.00 0.00 C ATOM 0 H ILE 1 83 3.425 -0.760 -2.293 1.00 0.00 H new ATOM 0 HA ILE 1 83 0.631 -0.474 -2.705 1.00 0.00 H new ATOM 0 HB ILE 1 83 2.705 1.038 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE 1 83 2.088 -0.146 0.733 1.00 0.00 H new ATOM 0 HG13 ILE 1 83 0.431 -0.355 0.201 1.00 0.00 H new ATOM 0 HG21 ILE 1 83 0.836 2.227 0.011 1.00 0.00 H new ATOM 0 HG22 ILE 1 83 0.948 2.631 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE 1 83 -0.302 1.500 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE 1 83 1.602 -2.492 0.281 1.00 0.00 H new ATOM 0 HD12 ILE 1 83 1.148 -2.092 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE 1 83 2.830 -1.880 -0.853 1.00 0.00 H new ATOM 1302 N ASN 1 84 0.526 1.324 -4.412 1.00 0.00 N ATOM 1303 CA ASN 1 84 0.431 2.422 -5.333 1.00 0.00 C ATOM 1304 C ASN 1 84 0.553 3.729 -4.545 1.00 0.00 C ATOM 1305 O ASN 1 84 -0.317 4.056 -3.739 1.00 0.00 O ATOM 1306 CB ASN 1 84 -0.902 2.369 -6.064 1.00 0.00 C ATOM 1307 CG ASN 1 84 -0.766 2.576 -7.560 1.00 0.00 C ATOM 1308 OD1 ASN 1 84 -0.049 3.469 -8.013 1.00 0.00 O ATOM 1309 ND2 ASN 1 84 -1.457 1.755 -8.337 1.00 0.00 N ATOM 0 H ASN 1 84 -0.229 0.640 -4.467 1.00 0.00 H new ATOM 0 HA ASN 1 84 1.230 2.363 -6.072 1.00 0.00 H new ATOM 0 HB2 ASN 1 84 -1.374 1.404 -5.878 1.00 0.00 H new ATOM 0 HB3 ASN 1 84 -1.565 3.132 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN 1 84 -1.407 1.850 -9.351 1.00 0.00 H new ATOM 0 HD22 ASN 1 84 -2.039 1.028 -7.921 1.00 0.00 H new ATOM 1316 N PRO 1 85 1.633 4.491 -4.770 1.00 0.00 N ATOM 1317 CA PRO 1 85 1.872 5.769 -4.080 1.00 0.00 C ATOM 1318 C PRO 1 85 0.908 6.812 -4.557 1.00 0.00 C ATOM 1319 O PRO 1 85 0.567 7.763 -3.858 1.00 0.00 O ATOM 1320 CB PRO 1 85 3.280 6.134 -4.527 1.00 0.00 C ATOM 1321 CG PRO 1 85 3.337 5.544 -5.883 1.00 0.00 C ATOM 1322 CD PRO 1 85 2.705 4.197 -5.726 1.00 0.00 C ATOM 0 HA PRO 1 85 1.752 5.701 -2.999 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 3.435 7.213 -4.545 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 4.039 5.714 -3.867 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 2.797 6.155 -6.606 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 4.364 5.463 -6.239 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 2.319 3.812 -6.670 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 3.406 3.456 -5.342 1.00 0.00 H new ATOM 1330 N ASN 1 86 0.485 6.611 -5.775 1.00 0.00 N ATOM 1331 CA ASN 1 86 -0.438 7.500 -6.406 1.00 0.00 C ATOM 1332 C ASN 1 86 -1.829 7.295 -5.835 1.00 0.00 C ATOM 1333 O ASN 1 86 -2.624 8.232 -5.749 1.00 0.00 O ATOM 1334 CB ASN 1 86 -0.418 7.286 -7.913 1.00 0.00 C ATOM 1335 CG ASN 1 86 0.737 7.998 -8.584 1.00 0.00 C ATOM 1336 OD1 ASN 1 86 0.559 9.033 -9.227 1.00 0.00 O ATOM 1337 ND2 ASN 1 86 1.934 7.440 -8.438 1.00 0.00 N ATOM 0 H ASN 1 86 0.774 5.823 -6.355 1.00 0.00 H new ATOM 0 HA ASN 1 86 -0.143 8.531 -6.209 1.00 0.00 H new ATOM 0 HB2 ASN 1 86 -0.355 6.219 -8.124 1.00 0.00 H new ATOM 0 HB3 ASN 1 86 -1.356 7.640 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN 1 86 2.753 7.870 -8.868 1.00 0.00 H new ATOM 0 HD22 ASN 1 86 2.034 6.582 -7.896 1.00 0.00 H new ATOM 1344 N ASN 1 87 -2.090 6.077 -5.383 1.00 0.00 N ATOM 1345 CA ASN 1 87 -3.332 5.757 -4.745 1.00 0.00 C ATOM 1346 C ASN 1 87 -3.235 6.170 -3.309 1.00 0.00 C ATOM 1347 O ASN 1 87 -4.170 6.004 -2.531 1.00 0.00 O ATOM 1348 CB ASN 1 87 -3.517 4.289 -4.769 1.00 0.00 C ATOM 1349 CG ASN 1 87 -4.757 3.850 -5.493 1.00 0.00 C ATOM 1350 OD1 ASN 1 87 -5.654 4.643 -5.783 1.00 0.00 O ATOM 1351 ND2 ASN 1 87 -4.790 2.574 -5.800 1.00 0.00 N ATOM 0 H ASN 1 87 -1.441 5.294 -5.454 1.00 0.00 H new ATOM 0 HA ASN 1 87 -4.155 6.260 -5.253 1.00 0.00 H new ATOM 0 HB2 ASN 1 87 -2.649 3.830 -5.242 1.00 0.00 H new ATOM 0 HB3 ASN 1 87 -3.555 3.919 -3.744 1.00 0.00 H new ATOM 0 HD21 ASN 1 87 -5.589 2.192 -6.306 1.00 0.00 H new ATOM 0 HD22 ASN 1 87 -4.017 1.965 -5.533 1.00 0.00 H new ATOM 1358 N VAL 1 88 -2.064 6.671 -2.962 1.00 0.00 N ATOM 1359 CA VAL 1 88 -1.765 7.086 -1.669 1.00 0.00 C ATOM 1360 C VAL 1 88 -1.952 8.555 -1.501 1.00 0.00 C ATOM 1361 O VAL 1 88 -1.455 9.385 -2.261 1.00 0.00 O ATOM 1362 CB VAL 1 88 -0.347 6.750 -1.333 1.00 0.00 C ATOM 1363 CG1 VAL 1 88 0.042 7.509 -0.094 1.00 0.00 C ATOM 1364 CG2 VAL 1 88 -0.260 5.271 -1.136 1.00 0.00 C ATOM 0 H VAL 1 88 -1.292 6.790 -3.618 1.00 0.00 H new ATOM 0 HA VAL 1 88 -2.450 6.564 -1.001 1.00 0.00 H new ATOM 0 HB VAL 1 88 0.341 7.034 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL 1 88 1.074 7.276 0.166 1.00 0.00 H new ATOM 0 HG12 VAL 1 88 -0.053 8.579 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL 1 88 -0.613 7.223 0.729 1.00 0.00 H new ATOM 0 HG21 VAL 1 88 0.766 4.997 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL 1 88 -0.921 4.973 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL 1 88 -0.561 4.764 -2.053 1.00 0.00 H new ATOM 1374 N LYS 1 89 -2.658 8.829 -0.469 1.00 0.00 N ATOM 1375 CA LYS 1 89 -2.956 10.166 -0.078 1.00 0.00 C ATOM 1376 C LYS 1 89 -1.785 10.691 0.690 1.00 0.00 C ATOM 1377 O LYS 1 89 -1.304 11.802 0.468 1.00 0.00 O ATOM 1378 CB LYS 1 89 -4.192 10.197 0.802 1.00 0.00 C ATOM 1379 CG LYS 1 89 -5.453 9.625 0.167 1.00 0.00 C ATOM 1380 CD LYS 1 89 -5.226 8.307 -0.544 1.00 0.00 C ATOM 1381 CE LYS 1 89 -4.666 8.493 -1.938 1.00 0.00 C ATOM 1382 NZ LYS 1 89 -5.706 8.351 -2.991 1.00 0.00 N ATOM 0 H LYS 1 89 -3.057 8.119 0.145 1.00 0.00 H new ATOM 0 HA LYS 1 89 -3.147 10.777 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.981 9.643 1.717 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.386 11.230 1.092 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.209 9.486 0.940 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -5.853 10.348 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.540 7.695 0.042 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.168 7.762 -0.603 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -4.208 9.479 -2.014 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -3.877 7.761 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -5.541 9.054 -3.739 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -5.660 7.395 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -6.646 8.505 -2.573 1.00 0.00 H new ATOM 1396 N SER 1 90 -1.334 9.849 1.599 1.00 0.00 N ATOM 1397 CA SER 1 90 -0.189 10.190 2.449 1.00 0.00 C ATOM 1398 C SER 1 90 0.058 9.133 3.516 1.00 0.00 C ATOM 1399 O SER 1 90 -0.766 8.260 3.725 1.00 0.00 O ATOM 1400 CB SER 1 90 -0.411 11.550 3.123 1.00 0.00 C ATOM 1401 OG SER 1 90 -0.847 11.399 4.465 1.00 0.00 O ATOM 0 H SER 1 90 -1.734 8.927 1.774 1.00 0.00 H new ATOM 0 HA SER 1 90 0.689 10.236 1.804 1.00 0.00 H new ATOM 0 HB2 SER 1 90 0.516 12.123 3.103 1.00 0.00 H new ATOM 0 HB3 SER 1 90 -1.151 12.120 2.561 1.00 0.00 H new ATOM 0 HG SER 1 90 -0.978 12.283 4.868 1.00 0.00 H new ATOM 1407 N VAL 1 91 1.162 9.275 4.240 1.00 0.00 N ATOM 1408 CA VAL 1 91 1.479 8.399 5.339 1.00 0.00 C ATOM 1409 C VAL 1 91 1.093 9.118 6.631 1.00 0.00 C ATOM 1410 O VAL 1 91 1.157 10.345 6.699 1.00 0.00 O ATOM 1411 CB VAL 1 91 2.970 8.018 5.358 1.00 0.00 C ATOM 1412 CG1 VAL 1 91 3.157 6.631 4.765 1.00 0.00 C ATOM 1413 CG2 VAL 1 91 3.814 9.040 4.608 1.00 0.00 C ATOM 0 H VAL 1 91 1.856 10.003 4.074 1.00 0.00 H new ATOM 0 HA VAL 1 91 0.923 7.468 5.233 1.00 0.00 H new ATOM 0 HB VAL 1 91 3.308 8.011 6.394 1.00 0.00 H new ATOM 0 HG11 VAL 1 91 4.215 6.368 4.782 1.00 0.00 H new ATOM 0 HG12 VAL 1 91 2.593 5.906 5.351 1.00 0.00 H new ATOM 0 HG13 VAL 1 91 2.797 6.624 3.736 1.00 0.00 H new ATOM 0 HG21 VAL 1 91 4.862 8.741 4.641 1.00 0.00 H new ATOM 0 HG22 VAL 1 91 3.484 9.093 3.571 1.00 0.00 H new ATOM 0 HG23 VAL 1 91 3.701 10.018 5.075 1.00 0.00 H new ATOM 1423 N GLY 1 92 0.639 8.374 7.628 1.00 0.00 N ATOM 1424 CA GLY 1 92 0.194 8.971 8.854 1.00 0.00 C ATOM 1425 C GLY 1 92 0.993 8.548 10.057 1.00 0.00 C ATOM 1426 O GLY 1 92 1.931 7.754 9.973 1.00 0.00 O ATOM 0 H GLY 1 92 0.573 7.356 7.601 1.00 0.00 H new ATOM 0 HA2 GLY 1 92 0.244 10.056 8.759 1.00 0.00 H new ATOM 0 HA3 GLY 1 92 -0.853 8.713 9.015 1.00 0.00 H new ATOM 1430 N THR 1 93 0.591 9.104 11.172 1.00 0.00 N ATOM 1431 CA THR 1 93 1.190 8.862 12.460 1.00 0.00 C ATOM 1432 C THR 1 93 1.109 7.408 12.840 1.00 0.00 C ATOM 1433 O THR 1 93 0.105 6.726 12.632 1.00 0.00 O ATOM 1434 CB THR 1 93 0.470 9.728 13.480 1.00 0.00 C ATOM 1435 OG1 THR 1 93 -0.083 10.876 12.856 1.00 0.00 O ATOM 1436 CG2 THR 1 93 1.358 10.204 14.588 1.00 0.00 C ATOM 0 H THR 1 93 -0.189 9.760 11.209 1.00 0.00 H new ATOM 0 HA THR 1 93 2.249 9.118 12.426 1.00 0.00 H new ATOM 0 HB THR 1 93 -0.305 9.090 13.905 1.00 0.00 H new ATOM 0 HG1 THR 1 93 -0.545 11.422 13.526 1.00 0.00 H new ATOM 0 HG21 THR 1 93 0.780 10.816 15.280 1.00 0.00 H new ATOM 0 HG22 THR 1 93 1.769 9.346 15.119 1.00 0.00 H new ATOM 0 HG23 THR 1 93 2.173 10.797 14.172 1.00 0.00 H new ATOM 1444 N PRO 1 94 2.216 6.934 13.390 1.00 0.00 N ATOM 1445 CA PRO 1 94 2.391 5.559 13.820 1.00 0.00 C ATOM 1446 C PRO 1 94 1.794 5.269 15.188 1.00 0.00 C ATOM 1447 O PRO 1 94 1.587 6.167 16.003 1.00 0.00 O ATOM 1448 CB PRO 1 94 3.896 5.451 13.842 1.00 0.00 C ATOM 1449 CG PRO 1 94 4.305 6.773 14.350 1.00 0.00 C ATOM 1450 CD PRO 1 94 3.429 7.732 13.633 1.00 0.00 C ATOM 0 HA PRO 1 94 1.885 4.842 13.174 1.00 0.00 H new ATOM 0 HB2 PRO 1 94 4.235 4.644 14.492 1.00 0.00 H new ATOM 0 HB3 PRO 1 94 4.303 5.254 12.850 1.00 0.00 H new ATOM 0 HG2 PRO 1 94 4.170 6.843 15.429 1.00 0.00 H new ATOM 0 HG3 PRO 1 94 5.358 6.968 14.147 1.00 0.00 H new ATOM 0 HD2 PRO 1 94 3.219 8.617 14.233 1.00 0.00 H new ATOM 0 HD3 PRO 1 94 3.881 8.077 12.703 1.00 0.00 H new ATOM 1458 N MET 1 95 1.530 3.996 15.416 1.00 0.00 N ATOM 1459 CA MET 1 95 0.960 3.525 16.672 1.00 0.00 C ATOM 1460 C MET 1 95 1.433 2.108 16.975 1.00 0.00 C ATOM 1461 O MET 1 95 1.349 1.228 16.119 1.00 0.00 O ATOM 1462 CB MET 1 95 -0.568 3.566 16.611 1.00 0.00 C ATOM 1463 CG MET 1 95 -1.132 4.963 16.411 1.00 0.00 C ATOM 1464 SD MET 1 95 -2.819 5.129 17.029 1.00 0.00 S ATOM 1465 CE MET 1 95 -3.617 3.734 16.236 1.00 0.00 C ATOM 0 H MET 1 95 1.704 3.255 14.737 1.00 0.00 H new ATOM 0 HA MET 1 95 1.298 4.184 17.471 1.00 0.00 H new ATOM 0 HB2 MET 1 95 -0.908 2.926 15.797 1.00 0.00 H new ATOM 0 HB3 MET 1 95 -0.971 3.149 17.534 1.00 0.00 H new ATOM 0 HG2 MET 1 95 -0.491 5.685 16.918 1.00 0.00 H new ATOM 0 HG3 MET 1 95 -1.113 5.210 15.349 1.00 0.00 H new ATOM 0 HE1 MET 1 95 -4.483 4.082 15.673 1.00 0.00 H new ATOM 0 HE2 MET 1 95 -2.914 3.250 15.558 1.00 0.00 H new ATOM 0 HE3 MET 1 95 -3.940 3.021 16.994 1.00 0.00 H new ATOM 1475 N LYS 1 96 1.910 1.876 18.189 1.00 0.00 N ATOM 1476 CA LYS 1 96 2.372 0.544 18.570 1.00 0.00 C ATOM 1477 C LYS 1 96 1.211 -0.315 19.053 1.00 0.00 C ATOM 1478 O LYS 1 96 0.482 0.074 19.965 1.00 0.00 O ATOM 1479 CB LYS 1 96 3.443 0.636 19.660 1.00 0.00 C ATOM 1480 CG LYS 1 96 4.471 1.732 19.418 1.00 0.00 C ATOM 1481 CD LYS 1 96 5.891 1.210 19.568 1.00 0.00 C ATOM 1482 CE LYS 1 96 6.917 2.282 19.240 1.00 0.00 C ATOM 1483 NZ LYS 1 96 7.146 3.206 20.386 1.00 0.00 N ATOM 0 H LYS 1 96 1.988 2.582 18.921 1.00 0.00 H new ATOM 0 HA LYS 1 96 2.807 0.075 17.688 1.00 0.00 H new ATOM 0 HB2 LYS 1 96 2.957 0.811 20.620 1.00 0.00 H new ATOM 0 HB3 LYS 1 96 3.957 -0.322 19.733 1.00 0.00 H new ATOM 0 HG2 LYS 1 96 4.337 2.142 18.417 1.00 0.00 H new ATOM 0 HG3 LYS 1 96 4.306 2.548 20.122 1.00 0.00 H new ATOM 0 HD2 LYS 1 96 6.044 0.858 20.588 1.00 0.00 H new ATOM 0 HD3 LYS 1 96 6.036 0.353 18.910 1.00 0.00 H new ATOM 0 HE2 LYS 1 96 7.859 1.809 18.962 1.00 0.00 H new ATOM 0 HE3 LYS 1 96 6.580 2.854 18.375 1.00 0.00 H new ATOM 0 HZ1 LYS 1 96 7.852 3.921 20.119 1.00 0.00 H new ATOM 0 HZ2 LYS 1 96 6.253 3.677 20.636 1.00 0.00 H new ATOM 0 HZ3 LYS 1 96 7.492 2.665 21.204 1.00 0.00 H new ATOM 1497 N GLY 1 97 1.034 -1.486 18.439 1.00 0.00 N ATOM 1498 CA GLY 1 97 -0.054 -2.357 18.845 1.00 0.00 C ATOM 1499 C GLY 1 97 -0.022 -3.718 18.179 1.00 0.00 C ATOM 1500 O GLY 1 97 -0.148 -4.739 18.852 1.00 0.00 O ATOM 0 H GLY 1 97 1.616 -1.841 17.680 1.00 0.00 H new ATOM 0 HA2 GLY 1 97 -0.018 -2.490 19.926 1.00 0.00 H new ATOM 0 HA3 GLY 1 97 -1.002 -1.871 18.615 1.00 0.00 H new ATOM 1504 N SER 1 98 0.139 -3.738 16.859 1.00 0.00 N ATOM 1505 CA SER 1 98 0.179 -4.997 16.124 1.00 0.00 C ATOM 1506 C SER 1 98 1.429 -5.796 16.502 1.00 0.00 C ATOM 1507 O SER 1 98 2.344 -5.954 15.696 1.00 0.00 O ATOM 1508 CB SER 1 98 0.157 -4.732 14.613 1.00 0.00 C ATOM 1509 OG SER 1 98 -1.166 -4.762 14.107 1.00 0.00 O ATOM 0 H SER 1 98 0.243 -2.904 16.281 1.00 0.00 H new ATOM 0 HA SER 1 98 -0.702 -5.581 16.390 1.00 0.00 H new ATOM 0 HB2 SER 1 98 0.607 -3.761 14.405 1.00 0.00 H new ATOM 0 HB3 SER 1 98 0.762 -5.480 14.101 1.00 0.00 H new ATOM 0 HG SER 1 98 -1.462 -5.692 14.020 1.00 0.00 H new ATOM 1515 N GLY 1 99 1.459 -6.296 17.734 1.00 0.00 N ATOM 1516 CA GLY 1 99 2.598 -7.071 18.196 1.00 0.00 C ATOM 1517 C GLY 1 99 3.457 -6.327 19.208 1.00 0.00 C ATOM 1518 O GLY 1 99 3.791 -6.870 20.261 1.00 0.00 O ATOM 0 H GLY 1 99 0.715 -6.178 18.421 1.00 0.00 H new ATOM 0 HA2 GLY 1 99 2.241 -7.998 18.644 1.00 0.00 H new ATOM 0 HA3 GLY 1 99 3.213 -7.347 17.340 1.00 0.00 H new ATOM 1522 N GLY 1 100 3.824 -5.088 18.889 1.00 0.00 N ATOM 1523 CA GLY 1 100 4.650 -4.304 19.782 1.00 0.00 C ATOM 1524 C GLY 1 100 5.416 -3.200 19.069 1.00 0.00 C ATOM 1525 O GLY 1 100 5.916 -2.271 19.702 1.00 0.00 O ATOM 0 H GLY 1 100 3.561 -4.615 18.024 1.00 0.00 H new ATOM 0 HA2 GLY 1 100 4.021 -3.862 20.555 1.00 0.00 H new ATOM 0 HA3 GLY 1 100 5.358 -4.963 20.285 1.00 0.00 H new ATOM 1529 N LEU 1 101 5.515 -3.314 17.750 1.00 0.00 N ATOM 1530 CA LEU 1 101 6.212 -2.366 16.927 1.00 0.00 C ATOM 1531 C LEU 1 101 5.430 -1.092 16.730 1.00 0.00 C ATOM 1532 O LEU 1 101 4.602 -0.707 17.550 1.00 0.00 O ATOM 1533 CB LEU 1 101 6.432 -2.973 15.570 1.00 0.00 C ATOM 1534 CG LEU 1 101 6.607 -4.479 15.504 1.00 0.00 C ATOM 1535 CD1 LEU 1 101 5.283 -5.215 15.432 1.00 0.00 C ATOM 1536 CD2 LEU 1 101 7.374 -4.762 14.274 1.00 0.00 C ATOM 0 H LEU 1 101 5.102 -4.085 17.225 1.00 0.00 H new ATOM 0 HA LEU 1 101 7.149 -2.127 17.430 1.00 0.00 H new ATOM 0 HB2 LEU 1 101 5.586 -2.703 14.938 1.00 0.00 H new ATOM 0 HB3 LEU 1 101 7.317 -2.511 15.132 1.00 0.00 H new ATOM 0 HG LEU 1 101 7.113 -4.819 16.407 1.00 0.00 H new ATOM 0 HD11 LEU 1 101 5.466 -6.289 15.387 1.00 0.00 H new ATOM 0 HD12 LEU 1 101 4.690 -4.985 16.317 1.00 0.00 H new ATOM 0 HD13 LEU 1 101 4.740 -4.901 14.540 1.00 0.00 H new ATOM 0 HD21 LEU 1 101 7.527 -5.837 14.180 1.00 0.00 H new ATOM 0 HD22 LEU 1 101 6.821 -4.397 13.408 1.00 0.00 H new ATOM 0 HD23 LEU 1 101 8.341 -4.261 14.325 1.00 0.00 H new ATOM 1548 N SER 1 102 5.724 -0.464 15.610 1.00 0.00 N ATOM 1549 CA SER 1 102 5.093 0.755 15.191 1.00 0.00 C ATOM 1550 C SER 1 102 4.334 0.522 13.898 1.00 0.00 C ATOM 1551 O SER 1 102 4.916 0.156 12.881 1.00 0.00 O ATOM 1552 CB SER 1 102 6.131 1.833 15.017 1.00 0.00 C ATOM 1553 OG SER 1 102 6.275 2.606 16.196 1.00 0.00 O ATOM 0 H SER 1 102 6.428 -0.802 14.954 1.00 0.00 H new ATOM 0 HA SER 1 102 4.384 1.079 15.953 1.00 0.00 H new ATOM 0 HB2 SER 1 102 7.088 1.380 14.757 1.00 0.00 H new ATOM 0 HB3 SER 1 102 5.849 2.481 14.187 1.00 0.00 H new ATOM 0 HG SER 1 102 6.956 3.296 16.054 1.00 0.00 H new ATOM 1559 N TRP 1 103 3.043 0.719 13.961 1.00 0.00 N ATOM 1560 CA TRP 1 103 2.156 0.535 12.844 1.00 0.00 C ATOM 1561 C TRP 1 103 1.477 1.863 12.587 1.00 0.00 C ATOM 1562 O TRP 1 103 0.811 2.413 13.459 1.00 0.00 O ATOM 1563 CB TRP 1 103 1.185 -0.566 13.194 1.00 0.00 C ATOM 1564 CG TRP 1 103 1.933 -1.824 13.529 1.00 0.00 C ATOM 1565 CD1 TRP 1 103 2.916 -1.924 14.456 1.00 0.00 C ATOM 1566 CD2 TRP 1 103 1.819 -3.134 12.936 1.00 0.00 C ATOM 1567 NE1 TRP 1 103 3.452 -3.166 14.446 1.00 0.00 N ATOM 1568 CE2 TRP 1 103 2.791 -3.944 13.546 1.00 0.00 C ATOM 1569 CE3 TRP 1 103 1.008 -3.709 11.961 1.00 0.00 C ATOM 1570 CZ2 TRP 1 103 2.977 -5.282 13.207 1.00 0.00 C ATOM 1571 CZ3 TRP 1 103 1.192 -5.040 11.632 1.00 0.00 C ATOM 1572 CH2 TRP 1 103 2.171 -5.808 12.251 1.00 0.00 C ATOM 0 H TRP 1 103 2.568 1.019 14.812 1.00 0.00 H new ATOM 0 HA TRP 1 103 2.673 0.235 11.932 1.00 0.00 H new ATOM 0 HB2 TRP 1 103 0.569 -0.263 14.041 1.00 0.00 H new ATOM 0 HB3 TRP 1 103 0.510 -0.746 12.357 1.00 0.00 H new ATOM 0 HD1 TRP 1 103 3.228 -1.124 15.111 1.00 0.00 H new ATOM 0 HE1 TRP 1 103 4.233 -3.473 15.025 1.00 0.00 H new ATOM 0 HE3 TRP 1 103 0.246 -3.124 11.468 1.00 0.00 H new ATOM 0 HZ2 TRP 1 103 3.737 -5.880 13.689 1.00 0.00 H new ATOM 0 HZ3 TRP 1 103 0.562 -5.491 10.879 1.00 0.00 H new ATOM 0 HH2 TRP 1 103 2.292 -6.843 11.966 1.00 0.00 H new ATOM 1583 N ALA 1 104 1.726 2.407 11.422 1.00 0.00 N ATOM 1584 CA ALA 1 104 1.225 3.728 11.070 1.00 0.00 C ATOM 1585 C ALA 1 104 0.045 3.748 10.145 1.00 0.00 C ATOM 1586 O ALA 1 104 -0.142 2.875 9.300 1.00 0.00 O ATOM 1587 CB ALA 1 104 2.335 4.596 10.505 1.00 0.00 C ATOM 0 H ALA 1 104 2.277 1.957 10.690 1.00 0.00 H new ATOM 0 HA ALA 1 104 0.861 4.135 12.013 1.00 0.00 H new ATOM 0 HB1 ALA 1 104 1.935 5.577 10.250 1.00 0.00 H new ATOM 0 HB2 ALA 1 104 3.124 4.708 11.249 1.00 0.00 H new ATOM 0 HB3 ALA 1 104 2.744 4.127 9.610 1.00 0.00 H new ATOM 1593 N GLN 1 105 -0.741 4.795 10.346 1.00 0.00 N ATOM 1594 CA GLN 1 105 -1.928 5.043 9.592 1.00 0.00 C ATOM 1595 C GLN 1 105 -1.630 5.743 8.285 1.00 0.00 C ATOM 1596 O GLN 1 105 -1.412 6.943 8.280 1.00 0.00 O ATOM 1597 CB GLN 1 105 -2.850 5.932 10.397 1.00 0.00 C ATOM 1598 CG GLN 1 105 -4.278 5.731 10.009 1.00 0.00 C ATOM 1599 CD GLN 1 105 -5.266 6.336 10.985 1.00 0.00 C ATOM 1600 OE1 GLN 1 105 -4.929 7.244 11.744 1.00 0.00 O ATOM 1601 NE2 GLN 1 105 -6.494 5.832 10.970 1.00 0.00 N ATOM 0 H GLN 1 105 -0.554 5.502 11.057 1.00 0.00 H new ATOM 0 HA GLN 1 105 -2.389 4.079 9.377 1.00 0.00 H new ATOM 0 HB2 GLN 1 105 -2.727 5.720 11.459 1.00 0.00 H new ATOM 0 HB3 GLN 1 105 -2.574 6.976 10.247 1.00 0.00 H new ATOM 0 HG2 GLN 1 105 -4.442 6.166 9.023 1.00 0.00 H new ATOM 0 HG3 GLN 1 105 -4.475 4.662 9.922 1.00 0.00 H new ATOM 0 HE21 GLN 1 105 -6.728 5.079 10.323 1.00 0.00 H new ATOM 0 HE22 GLN 1 105 -7.203 6.198 11.605 1.00 0.00 H new ATOM 1610 N VAL 1 106 -1.648 5.029 7.175 1.00 0.00 N ATOM 1611 CA VAL 1 106 -1.394 5.644 5.909 1.00 0.00 C ATOM 1612 C VAL 1 106 -2.714 5.837 5.178 1.00 0.00 C ATOM 1613 O VAL 1 106 -3.599 4.984 5.237 1.00 0.00 O ATOM 1614 CB VAL 1 106 -0.376 4.809 5.122 1.00 0.00 C ATOM 1615 CG1 VAL 1 106 -0.299 5.242 3.680 1.00 0.00 C ATOM 1616 CG2 VAL 1 106 0.986 4.931 5.782 1.00 0.00 C ATOM 0 H VAL 1 106 -1.836 4.027 7.136 1.00 0.00 H new ATOM 0 HA VAL 1 106 -0.949 6.631 6.035 1.00 0.00 H new ATOM 0 HB VAL 1 106 -0.701 3.768 5.132 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 0.432 4.628 3.154 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -1.276 5.123 3.212 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 0.003 6.288 3.630 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 1.714 4.339 5.227 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 1.296 5.976 5.787 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 0.928 4.565 6.807 1.00 0.00 H new ATOM 1626 N ASN 1 107 -2.858 6.982 4.543 1.00 0.00 N ATOM 1627 CA ASN 1 107 -4.080 7.324 3.856 1.00 0.00 C ATOM 1628 C ASN 1 107 -4.049 6.864 2.418 1.00 0.00 C ATOM 1629 O ASN 1 107 -3.443 7.508 1.567 1.00 0.00 O ATOM 1630 CB ASN 1 107 -4.291 8.837 3.898 1.00 0.00 C ATOM 1631 CG ASN 1 107 -5.317 9.248 4.933 1.00 0.00 C ATOM 1632 OD1 ASN 1 107 -5.008 9.973 5.878 1.00 0.00 O ATOM 1633 ND2 ASN 1 107 -6.548 8.783 4.758 1.00 0.00 N ATOM 0 H ASN 1 107 -2.133 7.697 4.490 1.00 0.00 H new ATOM 0 HA ASN 1 107 -4.902 6.818 4.362 1.00 0.00 H new ATOM 0 HB2 ASN 1 107 -3.342 9.328 4.116 1.00 0.00 H new ATOM 0 HB3 ASN 1 107 -4.611 9.184 2.915 1.00 0.00 H new ATOM 0 HD21 ASN 1 107 -7.284 9.024 5.422 1.00 0.00 H new ATOM 0 HD22 ASN 1 107 -6.758 8.185 3.959 1.00 0.00 H new ATOM 1640 N PHE 1 108 -4.717 5.758 2.152 1.00 0.00 N ATOM 1641 CA PHE 1 108 -4.797 5.231 0.846 1.00 0.00 C ATOM 1642 C PHE 1 108 -6.099 5.624 0.172 1.00 0.00 C ATOM 1643 O PHE 1 108 -7.049 6.114 0.784 1.00 0.00 O ATOM 1644 CB PHE 1 108 -4.743 3.712 0.834 1.00 0.00 C ATOM 1645 CG PHE 1 108 -3.457 3.068 1.270 1.00 0.00 C ATOM 1646 CD1 PHE 1 108 -2.940 3.301 2.529 1.00 0.00 C ATOM 1647 CD2 PHE 1 108 -2.789 2.183 0.434 1.00 0.00 C ATOM 1648 CE1 PHE 1 108 -1.777 2.677 2.944 1.00 0.00 C ATOM 1649 CE2 PHE 1 108 -1.631 1.553 0.847 1.00 0.00 C ATOM 1650 CZ PHE 1 108 -1.124 1.803 2.104 1.00 0.00 C ATOM 0 H PHE 1 108 -5.215 5.213 2.856 1.00 0.00 H new ATOM 0 HA PHE 1 108 -3.939 5.642 0.315 1.00 0.00 H new ATOM 0 HB2 PHE 1 108 -5.542 3.340 1.476 1.00 0.00 H new ATOM 0 HB3 PHE 1 108 -4.964 3.374 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE 1 108 -3.450 3.979 3.198 1.00 0.00 H new ATOM 0 HD2 PHE 1 108 -3.180 1.984 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE 1 108 -1.381 2.876 3.929 1.00 0.00 H new ATOM 0 HE2 PHE 1 108 -1.124 0.866 0.186 1.00 0.00 H new ATOM 0 HZ PHE 1 108 -0.217 1.315 2.429 1.00 0.00 H new ATOM 1660 N THR 1 109 -6.086 5.381 -1.109 1.00 0.00 N ATOM 1661 CA THR 1 109 -7.181 5.665 -2.030 1.00 0.00 C ATOM 1662 C THR 1 109 -8.569 5.146 -1.627 1.00 0.00 C ATOM 1663 O THR 1 109 -9.497 5.925 -1.414 1.00 0.00 O ATOM 1664 CB THR 1 109 -6.799 5.026 -3.343 1.00 0.00 C ATOM 1665 OG1 THR 1 109 -7.856 5.082 -4.285 1.00 0.00 O ATOM 1666 CG2 THR 1 109 -6.412 3.596 -3.138 1.00 0.00 C ATOM 0 H THR 1 109 -5.281 4.960 -1.573 1.00 0.00 H new ATOM 0 HA THR 1 109 -7.294 6.749 -2.057 1.00 0.00 H new ATOM 0 HB THR 1 109 -5.952 5.590 -3.734 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -7.499 4.935 -5.186 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -6.140 3.152 -4.095 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -5.561 3.543 -2.459 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -7.252 3.049 -2.710 1.00 0.00 H new ATOM 1674 N THR 1 110 -8.709 3.830 -1.589 1.00 0.00 N ATOM 1675 CA THR 1 110 -9.984 3.180 -1.288 1.00 0.00 C ATOM 1676 C THR 1 110 -10.231 2.994 0.199 1.00 0.00 C ATOM 1677 O THR 1 110 -11.247 3.439 0.736 1.00 0.00 O ATOM 1678 CB THR 1 110 -10.031 1.832 -1.985 1.00 0.00 C ATOM 1679 OG1 THR 1 110 -9.278 1.860 -3.184 1.00 0.00 O ATOM 1680 CG2 THR 1 110 -11.433 1.380 -2.330 1.00 0.00 C ATOM 0 H THR 1 110 -7.944 3.179 -1.765 1.00 0.00 H new ATOM 0 HA THR 1 110 -10.773 3.838 -1.653 1.00 0.00 H new ATOM 0 HB THR 1 110 -9.609 1.125 -1.271 1.00 0.00 H new ATOM 0 HG1 THR 1 110 -9.398 1.015 -3.665 1.00 0.00 H new ATOM 0 HG21 THR 1 110 -11.391 0.410 -2.825 1.00 0.00 H new ATOM 0 HG22 THR 1 110 -12.023 1.296 -1.417 1.00 0.00 H new ATOM 0 HG23 THR 1 110 -11.896 2.108 -2.996 1.00 0.00 H new ATOM 1688 N GLY 1 111 -9.305 2.319 0.854 1.00 0.00 N ATOM 1689 CA GLY 1 111 -9.431 2.058 2.261 1.00 0.00 C ATOM 1690 C GLY 1 111 -9.251 3.301 3.100 1.00 0.00 C ATOM 1691 O GLY 1 111 -9.442 3.259 4.316 1.00 0.00 O ATOM 0 H GLY 1 111 -8.458 1.944 0.426 1.00 0.00 H new ATOM 0 HA2 GLY 1 111 -10.413 1.628 2.461 1.00 0.00 H new ATOM 0 HA3 GLY 1 111 -8.691 1.314 2.557 1.00 0.00 H new ATOM 1695 N GLY 1 112 -8.859 4.411 2.468 1.00 0.00 N ATOM 1696 CA GLY 1 112 -8.643 5.618 3.207 1.00 0.00 C ATOM 1697 C GLY 1 112 -7.579 5.389 4.240 1.00 0.00 C ATOM 1698 O GLY 1 112 -6.405 5.492 3.957 1.00 0.00 O ATOM 0 H GLY 1 112 -8.692 4.481 1.464 1.00 0.00 H new ATOM 0 HA2 GLY 1 112 -8.344 6.421 2.533 1.00 0.00 H new ATOM 0 HA3 GLY 1 112 -9.569 5.934 3.687 1.00 0.00 H new ATOM 1702 N ASN 1 113 -7.972 5.016 5.427 1.00 0.00 N ATOM 1703 CA ASN 1 113 -7.004 4.713 6.440 1.00 0.00 C ATOM 1704 C ASN 1 113 -6.533 3.276 6.266 1.00 0.00 C ATOM 1705 O ASN 1 113 -7.340 2.352 6.163 1.00 0.00 O ATOM 1706 CB ASN 1 113 -7.593 4.939 7.828 1.00 0.00 C ATOM 1707 CG ASN 1 113 -9.018 4.438 7.953 1.00 0.00 C ATOM 1708 OD1 ASN 1 113 -9.926 5.183 8.321 1.00 0.00 O ATOM 1709 ND2 ASN 1 113 -9.215 3.163 7.647 1.00 0.00 N ATOM 0 H ASN 1 113 -8.946 4.916 5.713 1.00 0.00 H new ATOM 0 HA ASN 1 113 -6.147 5.379 6.338 1.00 0.00 H new ATOM 0 HB2 ASN 1 113 -6.970 4.436 8.568 1.00 0.00 H new ATOM 0 HB3 ASN 1 113 -7.566 6.004 8.060 1.00 0.00 H new ATOM 0 HD21 ASN 1 113 -10.150 2.762 7.712 1.00 0.00 H new ATOM 0 HD22 ASN 1 113 -8.431 2.584 7.346 1.00 0.00 H new ATOM 1716 N VAL 1 114 -5.231 3.093 6.240 1.00 0.00 N ATOM 1717 CA VAL 1 114 -4.639 1.779 6.092 1.00 0.00 C ATOM 1718 C VAL 1 114 -3.380 1.752 6.906 1.00 0.00 C ATOM 1719 O VAL 1 114 -2.485 2.561 6.684 1.00 0.00 O ATOM 1720 CB VAL 1 114 -4.297 1.443 4.637 1.00 0.00 C ATOM 1721 CG1 VAL 1 114 -4.129 -0.053 4.478 1.00 0.00 C ATOM 1722 CG2 VAL 1 114 -5.355 1.977 3.685 1.00 0.00 C ATOM 0 H VAL 1 114 -4.552 3.850 6.321 1.00 0.00 H new ATOM 0 HA VAL 1 114 -5.363 1.038 6.429 1.00 0.00 H new ATOM 0 HB VAL 1 114 -3.355 1.930 4.382 1.00 0.00 H new ATOM 0 HG11 VAL 1 114 -3.886 -0.284 3.441 1.00 0.00 H new ATOM 0 HG12 VAL 1 114 -3.323 -0.399 5.125 1.00 0.00 H new ATOM 0 HG13 VAL 1 114 -5.057 -0.555 4.753 1.00 0.00 H new ATOM 0 HG21 VAL 1 114 -5.084 1.723 2.660 1.00 0.00 H new ATOM 0 HG22 VAL 1 114 -6.320 1.531 3.926 1.00 0.00 H new ATOM 0 HG23 VAL 1 114 -5.421 3.060 3.785 1.00 0.00 H new ATOM 1732 N TRP 1 115 -3.306 0.864 7.865 1.00 0.00 N ATOM 1733 CA TRP 1 115 -2.137 0.829 8.711 1.00 0.00 C ATOM 1734 C TRP 1 115 -1.102 -0.159 8.247 1.00 0.00 C ATOM 1735 O TRP 1 115 -1.397 -1.133 7.555 1.00 0.00 O ATOM 1736 CB TRP 1 115 -2.531 0.564 10.141 1.00 0.00 C ATOM 1737 CG TRP 1 115 -3.332 1.648 10.694 1.00 0.00 C ATOM 1738 CD1 TRP 1 115 -4.602 1.966 10.358 1.00 0.00 C ATOM 1739 CD2 TRP 1 115 -2.909 2.587 11.656 1.00 0.00 C ATOM 1740 NE1 TRP 1 115 -5.011 3.017 11.098 1.00 0.00 N ATOM 1741 CE2 TRP 1 115 -3.984 3.428 11.893 1.00 0.00 C ATOM 1742 CE3 TRP 1 115 -1.723 2.786 12.347 1.00 0.00 C ATOM 1743 CZ2 TRP 1 115 -3.928 4.460 12.788 1.00 0.00 C ATOM 1744 CZ3 TRP 1 115 -1.656 3.828 13.251 1.00 0.00 C ATOM 1745 CH2 TRP 1 115 -2.761 4.659 13.464 1.00 0.00 C ATOM 0 H TRP 1 115 -4.022 0.170 8.078 1.00 0.00 H new ATOM 0 HA TRP 1 115 -1.671 1.812 8.645 1.00 0.00 H new ATOM 0 HB2 TRP 1 115 -3.094 -0.368 10.196 1.00 0.00 H new ATOM 0 HB3 TRP 1 115 -1.634 0.430 10.746 1.00 0.00 H new ATOM 0 HD1 TRP 1 115 -5.197 1.458 9.613 1.00 0.00 H new ATOM 0 HE1 TRP 1 115 -5.940 3.437 11.067 1.00 0.00 H new ATOM 0 HE3 TRP 1 115 -0.872 2.142 12.182 1.00 0.00 H new ATOM 0 HZ2 TRP 1 115 -4.783 5.099 12.955 1.00 0.00 H new ATOM 0 HZ3 TRP 1 115 -0.742 4.003 13.799 1.00 0.00 H new ATOM 0 HH2 TRP 1 115 -2.689 5.470 14.174 1.00 0.00 H new ATOM 1756 N LEU 1 116 0.125 0.126 8.631 1.00 0.00 N ATOM 1757 CA LEU 1 116 1.245 -0.693 8.268 1.00 0.00 C ATOM 1758 C LEU 1 116 2.316 -0.547 9.307 1.00 0.00 C ATOM 1759 O LEU 1 116 2.530 0.550 9.807 1.00 0.00 O ATOM 1760 CB LEU 1 116 1.800 -0.228 6.931 1.00 0.00 C ATOM 1761 CG LEU 1 116 1.990 -1.332 5.892 1.00 0.00 C ATOM 1762 CD1 LEU 1 116 0.962 -1.188 4.783 1.00 0.00 C ATOM 1763 CD2 LEU 1 116 3.400 -1.303 5.329 1.00 0.00 C ATOM 0 H LEU 1 116 0.366 0.935 9.204 1.00 0.00 H new ATOM 0 HA LEU 1 116 0.926 -1.733 8.197 1.00 0.00 H new ATOM 0 HB2 LEU 1 116 1.130 0.527 6.519 1.00 0.00 H new ATOM 0 HB3 LEU 1 116 2.760 0.258 7.102 1.00 0.00 H new ATOM 0 HG LEU 1 116 1.843 -2.297 6.377 1.00 0.00 H new ATOM 0 HD11 LEU 1 116 1.106 -1.980 4.048 1.00 0.00 H new ATOM 0 HD12 LEU 1 116 -0.041 -1.262 5.204 1.00 0.00 H new ATOM 0 HD13 LEU 1 116 1.081 -0.218 4.300 1.00 0.00 H new ATOM 0 HD21 LEU 1 116 3.514 -2.097 4.591 1.00 0.00 H new ATOM 0 HD22 LEU 1 116 3.583 -0.339 4.855 1.00 0.00 H new ATOM 0 HD23 LEU 1 116 4.117 -1.452 6.136 1.00 0.00 H new ATOM 1775 N ASN 1 117 3.027 -1.612 9.611 1.00 0.00 N ATOM 1776 CA ASN 1 117 4.079 -1.466 10.584 1.00 0.00 C ATOM 1777 C ASN 1 117 5.100 -0.560 9.999 1.00 0.00 C ATOM 1778 O ASN 1 117 5.888 -0.875 9.108 1.00 0.00 O ATOM 1779 CB ASN 1 117 4.627 -2.753 11.075 1.00 0.00 C ATOM 1780 CG ASN 1 117 6.103 -2.732 11.420 1.00 0.00 C ATOM 1781 OD1 ASN 1 117 6.959 -2.881 10.553 1.00 0.00 O ATOM 1782 ND2 ASN 1 117 6.398 -2.566 12.706 1.00 0.00 N ATOM 0 H ASN 1 117 2.903 -2.545 9.218 1.00 0.00 H new ATOM 0 HA ASN 1 117 3.676 -1.023 11.495 1.00 0.00 H new ATOM 0 HB2 ASN 1 117 4.067 -3.055 11.960 1.00 0.00 H new ATOM 0 HB3 ASN 1 117 4.458 -3.516 10.315 1.00 0.00 H new ATOM 0 HD21 ASN 1 117 7.372 -2.559 13.009 1.00 0.00 H new ATOM 0 HD22 ASN 1 117 5.650 -2.446 13.389 1.00 0.00 H new ATOM 1789 N THR 1 118 4.920 0.607 10.491 1.00 0.00 N ATOM 1790 CA THR 1 118 5.626 1.797 10.099 1.00 0.00 C ATOM 1791 C THR 1 118 7.023 1.891 10.651 1.00 0.00 C ATOM 1792 O THR 1 118 7.633 2.962 10.613 1.00 0.00 O ATOM 1793 CB THR 1 118 4.796 2.970 10.549 1.00 0.00 C ATOM 1794 OG1 THR 1 118 5.114 4.141 9.812 1.00 0.00 O ATOM 1795 CG2 THR 1 118 4.955 3.264 12.020 1.00 0.00 C ATOM 0 H THR 1 118 4.235 0.783 11.226 1.00 0.00 H new ATOM 0 HA THR 1 118 5.757 1.781 9.017 1.00 0.00 H new ATOM 0 HB THR 1 118 3.760 2.687 10.364 1.00 0.00 H new ATOM 0 HG1 THR 1 118 6.087 4.245 9.768 1.00 0.00 H new ATOM 0 HG21 THR 1 118 4.334 4.119 12.289 1.00 0.00 H new ATOM 0 HG22 THR 1 118 4.647 2.394 12.600 1.00 0.00 H new ATOM 0 HG23 THR 1 118 5.999 3.492 12.235 1.00 0.00 H new ATOM 1803 N THR 1 119 7.546 0.793 11.151 1.00 0.00 N ATOM 1804 CA THR 1 119 8.898 0.806 11.670 1.00 0.00 C ATOM 1805 C THR 1 119 9.917 1.106 10.548 1.00 0.00 C ATOM 1806 O THR 1 119 11.090 0.745 10.651 1.00 0.00 O ATOM 1807 CB THR 1 119 9.213 -0.539 12.302 1.00 0.00 C ATOM 1808 OG1 THR 1 119 8.563 -1.581 11.605 1.00 0.00 O ATOM 1809 CG2 THR 1 119 8.809 -0.629 13.754 1.00 0.00 C ATOM 0 H THR 1 119 7.067 -0.106 11.210 1.00 0.00 H new ATOM 0 HA THR 1 119 8.973 1.593 12.421 1.00 0.00 H new ATOM 0 HB THR 1 119 10.297 -0.641 12.242 1.00 0.00 H new ATOM 0 HG1 THR 1 119 9.007 -2.432 11.801 1.00 0.00 H new ATOM 0 HG21 THR 1 119 9.063 -1.616 14.142 1.00 0.00 H new ATOM 0 HG22 THR 1 119 9.338 0.133 14.327 1.00 0.00 H new ATOM 0 HG23 THR 1 119 7.734 -0.470 13.843 1.00 0.00 H new ATOM 1817 N SER 1 120 9.457 1.791 9.486 1.00 0.00 N ATOM 1818 CA SER 1 120 10.268 2.179 8.366 1.00 0.00 C ATOM 1819 C SER 1 120 9.391 3.031 7.461 1.00 0.00 C ATOM 1820 O SER 1 120 8.300 2.629 7.090 1.00 0.00 O ATOM 1821 CB SER 1 120 10.798 0.958 7.613 1.00 0.00 C ATOM 1822 OG SER 1 120 12.086 0.591 8.076 1.00 0.00 O ATOM 0 H SER 1 120 8.485 2.087 9.401 1.00 0.00 H new ATOM 0 HA SER 1 120 11.141 2.738 8.704 1.00 0.00 H new ATOM 0 HB2 SER 1 120 10.111 0.122 7.741 1.00 0.00 H new ATOM 0 HB3 SER 1 120 10.840 1.176 6.546 1.00 0.00 H new ATOM 0 HG SER 1 120 12.082 0.551 9.055 1.00 0.00 H new ATOM 1828 N LYS 1 121 9.845 4.217 7.137 1.00 0.00 N ATOM 1829 CA LYS 1 121 9.071 5.114 6.300 1.00 0.00 C ATOM 1830 C LYS 1 121 9.125 4.612 4.871 1.00 0.00 C ATOM 1831 O LYS 1 121 8.111 4.530 4.168 1.00 0.00 O ATOM 1832 CB LYS 1 121 9.616 6.517 6.447 1.00 0.00 C ATOM 1833 CG LYS 1 121 8.919 7.546 5.572 1.00 0.00 C ATOM 1834 CD LYS 1 121 9.809 8.752 5.322 1.00 0.00 C ATOM 1835 CE LYS 1 121 8.990 10.020 5.149 1.00 0.00 C ATOM 1836 NZ LYS 1 121 7.967 9.878 4.076 1.00 0.00 N ATOM 0 H LYS 1 121 10.746 4.588 7.438 1.00 0.00 H new ATOM 0 HA LYS 1 121 8.024 5.139 6.603 1.00 0.00 H new ATOM 0 HB2 LYS 1 121 9.528 6.822 7.490 1.00 0.00 H new ATOM 0 HB3 LYS 1 121 10.679 6.510 6.205 1.00 0.00 H new ATOM 0 HG2 LYS 1 121 8.644 7.091 4.621 1.00 0.00 H new ATOM 0 HG3 LYS 1 121 7.994 7.867 6.051 1.00 0.00 H new ATOM 0 HD2 LYS 1 121 10.500 8.875 6.156 1.00 0.00 H new ATOM 0 HD3 LYS 1 121 10.412 8.582 4.430 1.00 0.00 H new ATOM 0 HE2 LYS 1 121 8.498 10.265 6.090 1.00 0.00 H new ATOM 0 HE3 LYS 1 121 9.654 10.851 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS 1 121 7.583 10.814 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS 1 121 8.405 9.457 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS 1 121 7.197 9.263 4.409 1.00 0.00 H new ATOM 1850 N ASP 1 122 10.304 4.173 4.474 1.00 0.00 N ATOM 1851 CA ASP 1 122 10.469 3.566 3.191 1.00 0.00 C ATOM 1852 C ASP 1 122 9.682 2.261 3.181 1.00 0.00 C ATOM 1853 O ASP 1 122 9.634 1.569 2.185 1.00 0.00 O ATOM 1854 CB ASP 1 122 11.930 3.325 2.883 1.00 0.00 C ATOM 1855 CG ASP 1 122 12.669 4.603 2.541 1.00 0.00 C ATOM 1856 OD1 ASP 1 122 12.696 4.972 1.348 1.00 0.00 O ATOM 1857 OD2 ASP 1 122 13.223 5.234 3.465 1.00 0.00 O ATOM 0 H ASP 1 122 11.156 4.231 5.031 1.00 0.00 H new ATOM 0 HA ASP 1 122 10.092 4.233 2.415 1.00 0.00 H new ATOM 0 HB2 ASP 1 122 12.406 2.853 3.742 1.00 0.00 H new ATOM 0 HB3 ASP 1 122 12.012 2.627 2.050 1.00 0.00 H new ATOM 1862 N ASN 1 123 9.104 1.901 4.329 1.00 0.00 N ATOM 1863 CA ASN 1 123 8.352 0.674 4.433 1.00 0.00 C ATOM 1864 C ASN 1 123 7.148 0.708 3.510 1.00 0.00 C ATOM 1865 O ASN 1 123 7.002 -0.109 2.615 1.00 0.00 O ATOM 1866 CB ASN 1 123 7.878 0.496 5.885 1.00 0.00 C ATOM 1867 CG ASN 1 123 6.692 -0.406 5.928 1.00 0.00 C ATOM 1868 OD1 ASN 1 123 5.811 -0.264 6.771 1.00 0.00 O ATOM 1869 ND2 ASN 1 123 6.671 -1.339 4.996 1.00 0.00 N ATOM 0 H ASN 1 123 9.149 2.447 5.189 1.00 0.00 H new ATOM 0 HA ASN 1 123 8.991 -0.160 4.142 1.00 0.00 H new ATOM 0 HB2 ASN 1 123 8.683 0.080 6.491 1.00 0.00 H new ATOM 0 HB3 ASN 1 123 7.624 1.465 6.314 1.00 0.00 H new ATOM 0 HD21 ASN 1 123 5.891 -1.994 4.948 1.00 0.00 H new ATOM 0 HD22 ASN 1 123 7.435 -1.405 4.323 1.00 0.00 H new ATOM 1876 N LEU 1 124 6.313 1.663 3.706 1.00 0.00 N ATOM 1877 CA LEU 1 124 5.150 1.805 2.854 1.00 0.00 C ATOM 1878 C LEU 1 124 5.594 2.119 1.454 1.00 0.00 C ATOM 1879 O LEU 1 124 5.250 1.432 0.494 1.00 0.00 O ATOM 1880 CB LEU 1 124 4.222 2.898 3.350 1.00 0.00 C ATOM 1881 CG LEU 1 124 4.402 3.284 4.800 1.00 0.00 C ATOM 1882 CD1 LEU 1 124 4.273 2.056 5.702 1.00 0.00 C ATOM 1883 CD2 LEU 1 124 5.751 3.962 4.980 1.00 0.00 C ATOM 0 H LEU 1 124 6.397 2.365 4.442 1.00 0.00 H new ATOM 0 HA LEU 1 124 4.599 0.864 2.873 1.00 0.00 H new ATOM 0 HB2 LEU 1 124 4.369 3.785 2.733 1.00 0.00 H new ATOM 0 HB3 LEU 1 124 3.192 2.573 3.202 1.00 0.00 H new ATOM 0 HG LEU 1 124 3.619 3.986 5.088 1.00 0.00 H new ATOM 0 HD11 LEU 1 124 4.405 2.353 6.742 1.00 0.00 H new ATOM 0 HD12 LEU 1 124 3.285 1.613 5.574 1.00 0.00 H new ATOM 0 HD13 LEU 1 124 5.036 1.325 5.433 1.00 0.00 H new ATOM 0 HD21 LEU 1 124 5.881 4.241 6.026 1.00 0.00 H new ATOM 0 HD22 LEU 1 124 6.545 3.276 4.685 1.00 0.00 H new ATOM 0 HD23 LEU 1 124 5.795 4.856 4.358 1.00 0.00 H new ATOM 1895 N LEU 1 125 6.358 3.184 1.360 1.00 0.00 N ATOM 1896 CA LEU 1 125 6.867 3.641 0.101 1.00 0.00 C ATOM 1897 C LEU 1 125 7.708 2.597 -0.591 1.00 0.00 C ATOM 1898 O LEU 1 125 7.591 2.402 -1.793 1.00 0.00 O ATOM 1899 CB LEU 1 125 7.717 4.878 0.319 1.00 0.00 C ATOM 1900 CG LEU 1 125 6.960 6.127 0.748 1.00 0.00 C ATOM 1901 CD1 LEU 1 125 6.651 6.032 2.227 1.00 0.00 C ATOM 1902 CD2 LEU 1 125 7.773 7.378 0.443 1.00 0.00 C ATOM 0 H LEU 1 125 6.640 3.753 2.158 1.00 0.00 H new ATOM 0 HA LEU 1 125 6.008 3.861 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU 1 125 8.469 4.652 1.076 1.00 0.00 H new ATOM 0 HB3 LEU 1 125 8.251 5.098 -0.605 1.00 0.00 H new ATOM 0 HG LEU 1 125 6.027 6.197 0.190 1.00 0.00 H new ATOM 0 HD11 LEU 1 125 6.109 6.923 2.543 1.00 0.00 H new ATOM 0 HD12 LEU 1 125 6.040 5.149 2.415 1.00 0.00 H new ATOM 0 HD13 LEU 1 125 7.582 5.955 2.789 1.00 0.00 H new ATOM 0 HD21 LEU 1 125 7.215 8.260 0.757 1.00 0.00 H new ATOM 0 HD22 LEU 1 125 8.720 7.337 0.982 1.00 0.00 H new ATOM 0 HD23 LEU 1 125 7.967 7.434 -0.628 1.00 0.00 H new ATOM 1914 N TYR 1 126 8.594 1.957 0.153 1.00 0.00 N ATOM 1915 CA TYR 1 126 9.484 0.983 -0.444 1.00 0.00 C ATOM 1916 C TYR 1 126 9.236 -0.418 0.083 1.00 0.00 C ATOM 1917 O TYR 1 126 9.447 -1.401 -0.624 1.00 0.00 O ATOM 1918 CB TYR 1 126 10.927 1.385 -0.160 1.00 0.00 C ATOM 1919 CG TYR 1 126 11.630 2.020 -1.329 1.00 0.00 C ATOM 1920 CD1 TYR 1 126 11.167 3.212 -1.865 1.00 0.00 C ATOM 1921 CD2 TYR 1 126 12.757 1.437 -1.892 1.00 0.00 C ATOM 1922 CE1 TYR 1 126 11.807 3.807 -2.935 1.00 0.00 C ATOM 1923 CE2 TYR 1 126 13.405 2.026 -2.960 1.00 0.00 C ATOM 1924 CZ TYR 1 126 12.926 3.211 -3.478 1.00 0.00 C ATOM 1925 OH TYR 1 126 13.571 3.802 -4.538 1.00 0.00 O ATOM 0 H TYR 1 126 8.714 2.093 1.157 1.00 0.00 H new ATOM 0 HA TYR 1 126 9.293 0.968 -1.517 1.00 0.00 H new ATOM 0 HB2 TYR 1 126 10.941 2.080 0.679 1.00 0.00 H new ATOM 0 HB3 TYR 1 126 11.485 0.501 0.149 1.00 0.00 H new ATOM 0 HD1 TYR 1 126 10.293 3.682 -1.440 1.00 0.00 H new ATOM 0 HD2 TYR 1 126 13.133 0.508 -1.489 1.00 0.00 H new ATOM 0 HE1 TYR 1 126 11.433 4.734 -3.344 1.00 0.00 H new ATOM 0 HE2 TYR 1 126 14.282 1.561 -3.387 1.00 0.00 H new ATOM 0 HH TYR 1 126 14.340 3.254 -4.799 1.00 0.00 H new ATOM 1935 N GLY 1 127 8.816 -0.514 1.335 1.00 0.00 N ATOM 1936 CA GLY 1 127 8.592 -1.828 1.912 1.00 0.00 C ATOM 1937 C GLY 1 127 9.735 -2.245 2.800 1.00 0.00 C ATOM 1938 O GLY 1 127 10.008 -3.434 2.970 1.00 0.00 O ATOM 0 H GLY 1 127 8.629 0.275 1.954 1.00 0.00 H new ATOM 0 HA2 GLY 1 127 7.667 -1.820 2.488 1.00 0.00 H new ATOM 0 HA3 GLY 1 127 8.465 -2.560 1.114 1.00 0.00 H new ATOM 1942 N LYS 1 128 10.408 -1.254 3.367 1.00 0.00 N ATOM 1943 CA LYS 1 128 11.519 -1.495 4.242 1.00 0.00 C ATOM 1944 C LYS 1 128 11.044 -1.981 5.609 1.00 0.00 C ATOM 1945 O LYS 1 128 11.903 -2.207 6.487 1.00 0.00 O ATOM 1946 CB LYS 1 128 12.295 -0.204 4.412 1.00 0.00 C ATOM 1947 CG LYS 1 128 12.875 0.333 3.123 1.00 0.00 C ATOM 1948 CD LYS 1 128 14.061 1.245 3.405 1.00 0.00 C ATOM 1949 CE LYS 1 128 14.957 1.401 2.183 1.00 0.00 C ATOM 1950 NZ LYS 1 128 14.291 2.156 1.087 1.00 0.00 N ATOM 1951 OXT LYS 1 128 9.817 -2.130 5.790 1.00 0.00 O ATOM 0 H LYS 1 128 10.191 -0.267 3.227 1.00 0.00 H new ATOM 0 HA LYS 1 128 12.151 -2.268 3.804 1.00 0.00 H new ATOM 0 HB2 LYS 1 128 11.638 0.550 4.846 1.00 0.00 H new ATOM 0 HB3 LYS 1 128 13.104 -0.368 5.123 1.00 0.00 H new ATOM 0 HG2 LYS 1 128 13.190 -0.495 2.487 1.00 0.00 H new ATOM 0 HG3 LYS 1 128 12.110 0.883 2.575 1.00 0.00 H new ATOM 0 HD2 LYS 1 128 13.700 2.225 3.719 1.00 0.00 H new ATOM 0 HD3 LYS 1 128 14.643 0.840 4.233 1.00 0.00 H new ATOM 0 HE2 LYS 1 128 15.874 1.916 2.471 1.00 0.00 H new ATOM 0 HE3 LYS 1 128 15.246 0.415 1.819 1.00 0.00 H new ATOM 0 HZ1 LYS 1 128 14.821 2.023 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS 1 128 13.319 1.806 0.965 1.00 0.00 H new ATOM 0 HZ3 LYS 1 128 14.267 3.168 1.327 1.00 0.00 H new