USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 587 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 Single : A 22 ASN :FLIP amide:sc= -2.22 F(o=-8.5!,f=-2.2) USER MOD Single : A 25 GLN : amide:sc= -0.806 X(o=-0.81,f=-0.91) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0836 (180deg=-0.728) USER MOD Single : A 33 MET CE :methyl 176:sc= 0 (180deg=-0.00816) USER MOD Single : A 41 GLN :FLIP amide:sc= 0.604! F(o=-0.51,f=0.6!) USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0219 (180deg=-0.252) USER MOD Single : A 44 THR OG1 : rot 112:sc= 1.29 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -107:sc= 1.22 (180deg=-0.587) USER MOD Single : A 52 SER OG : rot 180:sc= -2! USER MOD Single : A 55 SER OG : rot 101:sc= -0.411! USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.499 F(o=-1.1,f=-0.5) USER MOD Single : A 71 GLN :FLIP amide:sc= -2.13! C(o=-3!,f=-2.1!) USER MOD Single : A 77 LYS NZ :NH3+ -135:sc= -0.52 (180deg=-1.77!) USER MOD Single : A 80 ASN : amide:sc= -0.105 K(o=-0.1,f=-2.4!) USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000526) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -4.22! C(o=-4.2!,f=-4.7!) USER MOD Single : A 93 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD Single : A 95 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.298) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.741! USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 5.378 -16.893 2.226 1.00 0.00 N ATOM 276 CA ASN A 22 5.857 -16.522 0.873 1.00 0.00 C ATOM 277 C ASN A 22 4.661 -16.113 -0.014 1.00 0.00 C ATOM 278 O ASN A 22 4.635 -15.051 -0.603 1.00 0.00 O ATOM 279 CB ASN A 22 6.599 -17.745 0.266 1.00 0.00 C ATOM 280 CG ASN A 22 8.097 -17.459 0.127 1.00 0.00 C ATOM 281 OD1 ASN A 22 8.542 -16.977 -0.991 1.00 0.00 O flip ATOM 282 ND2 ASN A 22 8.862 -17.677 1.045 1.00 0.00 N flip ATOM 0 HA ASN A 22 6.538 -15.673 0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.448 -18.619 0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.178 -17.984 -0.711 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.509 -18.056 1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.857 -17.481 0.937 1.00 0.00 H new ATOM 289 N ALA A 23 3.692 -16.966 -0.125 1.00 0.00 N ATOM 290 CA ALA A 23 2.508 -16.675 -0.991 1.00 0.00 C ATOM 291 C ALA A 23 1.447 -15.852 -0.258 1.00 0.00 C ATOM 292 O ALA A 23 0.800 -15.013 -0.852 1.00 0.00 O ATOM 293 CB ALA A 23 1.887 -17.995 -1.454 1.00 0.00 C ATOM 0 H ALA A 23 3.662 -17.868 0.351 1.00 0.00 H new ATOM 0 HA ALA A 23 2.855 -16.090 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.023 -17.789 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.624 -18.565 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.571 -18.573 -0.585 1.00 0.00 H new ATOM 299 N ALA A 24 1.234 -16.076 1.009 1.00 0.00 N ATOM 300 CA ALA A 24 0.177 -15.281 1.703 1.00 0.00 C ATOM 301 C ALA A 24 0.637 -13.833 1.824 1.00 0.00 C ATOM 302 O ALA A 24 -0.014 -12.914 1.367 1.00 0.00 O ATOM 303 CB ALA A 24 -0.087 -15.855 3.098 1.00 0.00 C ATOM 0 H ALA A 24 1.731 -16.757 1.584 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.745 -15.328 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.859 -15.267 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.420 -16.889 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.830 -15.818 3.686 1.00 0.00 H new ATOM 309 N GLN A 25 1.757 -13.635 2.443 1.00 0.00 N ATOM 310 CA GLN A 25 2.293 -12.263 2.624 1.00 0.00 C ATOM 311 C GLN A 25 2.490 -11.583 1.264 1.00 0.00 C ATOM 312 O GLN A 25 2.738 -10.395 1.186 1.00 0.00 O ATOM 313 CB GLN A 25 3.622 -12.374 3.382 1.00 0.00 C ATOM 314 CG GLN A 25 4.792 -12.717 2.427 1.00 0.00 C ATOM 315 CD GLN A 25 5.472 -11.428 1.948 1.00 0.00 C ATOM 316 OE1 GLN A 25 5.916 -10.631 2.750 1.00 0.00 O ATOM 317 NE2 GLN A 25 5.573 -11.187 0.669 1.00 0.00 N ATOM 0 H GLN A 25 2.335 -14.376 2.839 1.00 0.00 H new ATOM 0 HA GLN A 25 1.593 -11.651 3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.831 -11.434 3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.541 -13.143 4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.516 -13.352 2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.421 -13.282 1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.201 -11.854 -0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.024 -10.331 0.345 1.00 0.00 H new ATOM 326 N VAL A 26 2.398 -12.323 0.193 1.00 0.00 N ATOM 327 CA VAL A 26 2.599 -11.707 -1.144 1.00 0.00 C ATOM 328 C VAL A 26 1.418 -10.792 -1.473 1.00 0.00 C ATOM 329 O VAL A 26 1.590 -9.617 -1.691 1.00 0.00 O ATOM 330 CB VAL A 26 2.797 -12.836 -2.204 1.00 0.00 C ATOM 331 CG1 VAL A 26 1.594 -13.022 -3.149 1.00 0.00 C ATOM 332 CG2 VAL A 26 4.033 -12.530 -3.055 1.00 0.00 C ATOM 0 H VAL A 26 2.193 -13.322 0.188 1.00 0.00 H new ATOM 0 HA VAL A 26 3.496 -11.087 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 26 2.913 -13.761 -1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.807 -13.824 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.710 -13.278 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.413 -12.096 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.170 -13.319 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.897 -11.576 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.913 -12.477 -2.413 1.00 0.00 H new ATOM 342 N LYS A 27 0.234 -11.319 -1.519 1.00 0.00 N ATOM 343 CA LYS A 27 -0.948 -10.466 -1.853 1.00 0.00 C ATOM 344 C LYS A 27 -1.207 -9.457 -0.731 1.00 0.00 C ATOM 345 O LYS A 27 -1.525 -8.310 -0.977 1.00 0.00 O ATOM 346 CB LYS A 27 -2.183 -11.357 -2.034 1.00 0.00 C ATOM 347 CG LYS A 27 -2.124 -12.057 -3.399 1.00 0.00 C ATOM 348 CD LYS A 27 -3.046 -13.280 -3.392 1.00 0.00 C ATOM 349 CE LYS A 27 -3.123 -13.870 -4.800 1.00 0.00 C ATOM 350 NZ LYS A 27 -4.010 -15.068 -4.790 1.00 0.00 N ATOM 0 H LYS A 27 0.026 -12.302 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.745 -9.924 -2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.228 -12.099 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.090 -10.756 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.426 -11.366 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.101 -12.362 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.670 -14.028 -2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.041 -12.996 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.508 -13.126 -5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.126 -14.145 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.062 -15.469 -5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.625 -15.780 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.963 -14.792 -4.478 1.00 0.00 H new ATOM 364 N ASP A 28 -1.089 -9.875 0.495 1.00 0.00 N ATOM 365 CA ASP A 28 -1.343 -8.939 1.626 1.00 0.00 C ATOM 366 C ASP A 28 -0.411 -7.724 1.525 1.00 0.00 C ATOM 367 O ASP A 28 -0.775 -6.620 1.875 1.00 0.00 O ATOM 368 CB ASP A 28 -1.093 -9.671 2.947 1.00 0.00 C ATOM 369 CG ASP A 28 -1.518 -8.784 4.118 1.00 0.00 C ATOM 370 OD1 ASP A 28 -2.537 -8.124 3.999 1.00 0.00 O ATOM 371 OD2 ASP A 28 -0.816 -8.780 5.116 1.00 0.00 O ATOM 0 H ASP A 28 -0.828 -10.823 0.765 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.376 -8.594 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.651 -10.607 2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.037 -9.928 3.037 1.00 0.00 H new ATOM 376 N ALA A 29 0.790 -7.916 1.047 1.00 0.00 N ATOM 377 CA ALA A 29 1.738 -6.775 0.920 1.00 0.00 C ATOM 378 C ALA A 29 1.243 -5.813 -0.143 1.00 0.00 C ATOM 379 O ALA A 29 1.207 -4.615 0.053 1.00 0.00 O ATOM 380 CB ALA A 29 3.120 -7.301 0.531 1.00 0.00 C ATOM 0 H ALA A 29 1.155 -8.817 0.739 1.00 0.00 H new ATOM 0 HA ALA A 29 1.803 -6.253 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.814 -6.466 0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.478 -7.986 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.054 -7.826 -0.422 1.00 0.00 H new ATOM 386 N LEU A 30 0.873 -6.320 -1.278 1.00 0.00 N ATOM 387 CA LEU A 30 0.398 -5.429 -2.349 1.00 0.00 C ATOM 388 C LEU A 30 -0.813 -4.631 -1.867 1.00 0.00 C ATOM 389 O LEU A 30 -0.821 -3.416 -1.907 1.00 0.00 O ATOM 390 CB LEU A 30 0.024 -6.283 -3.550 1.00 0.00 C ATOM 391 CG LEU A 30 1.200 -7.200 -3.899 1.00 0.00 C ATOM 392 CD1 LEU A 30 0.816 -8.067 -5.097 1.00 0.00 C ATOM 393 CD2 LEU A 30 2.447 -6.364 -4.236 1.00 0.00 C ATOM 0 H LEU A 30 0.881 -7.314 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 30 1.181 -4.723 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.863 -6.877 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.223 -5.648 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 30 1.430 -7.834 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.648 -8.723 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.057 -8.669 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.583 -7.428 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.275 -7.029 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.233 -5.719 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.717 -5.751 -3.376 1.00 0.00 H new ATOM 405 N THR A 31 -1.843 -5.298 -1.423 1.00 0.00 N ATOM 406 CA THR A 31 -3.050 -4.558 -0.955 1.00 0.00 C ATOM 407 C THR A 31 -2.705 -3.667 0.236 1.00 0.00 C ATOM 408 O THR A 31 -3.319 -2.640 0.445 1.00 0.00 O ATOM 409 CB THR A 31 -4.159 -5.536 -0.579 1.00 0.00 C ATOM 410 OG1 THR A 31 -5.399 -4.846 -0.534 1.00 0.00 O ATOM 411 CG2 THR A 31 -3.879 -6.178 0.782 1.00 0.00 C ATOM 0 H THR A 31 -1.902 -6.315 -1.364 1.00 0.00 H new ATOM 0 HA THR A 31 -3.403 -3.925 -1.769 1.00 0.00 H new ATOM 0 HB THR A 31 -4.200 -6.324 -1.331 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.113 -5.472 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.683 -6.871 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.933 -6.718 0.742 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.821 -5.402 1.545 1.00 0.00 H new ATOM 419 N LYS A 32 -1.728 -4.036 1.021 1.00 0.00 N ATOM 420 CA LYS A 32 -1.372 -3.178 2.178 1.00 0.00 C ATOM 421 C LYS A 32 -1.014 -1.810 1.619 1.00 0.00 C ATOM 422 O LYS A 32 -1.508 -0.790 2.057 1.00 0.00 O ATOM 423 CB LYS A 32 -0.171 -3.781 2.927 1.00 0.00 C ATOM 424 CG LYS A 32 0.313 -2.833 4.055 1.00 0.00 C ATOM 425 CD LYS A 32 1.531 -2.017 3.590 1.00 0.00 C ATOM 426 CE LYS A 32 2.012 -1.125 4.738 1.00 0.00 C ATOM 427 NZ LYS A 32 0.895 -0.245 5.180 1.00 0.00 N ATOM 0 H LYS A 32 -1.170 -4.883 0.911 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.200 -3.103 2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.450 -4.745 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.644 -3.965 2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.494 -2.160 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.574 -3.414 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.332 -2.686 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.266 -1.407 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.358 -1.739 5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.859 -0.521 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.280 0.571 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.367 0.090 4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.257 -0.780 5.803 1.00 0.00 H new ATOM 441 N MET A 33 -0.170 -1.789 0.628 1.00 0.00 N ATOM 442 CA MET A 33 0.212 -0.493 0.007 1.00 0.00 C ATOM 443 C MET A 33 -0.993 0.108 -0.736 1.00 0.00 C ATOM 444 O MET A 33 -1.229 1.298 -0.674 1.00 0.00 O ATOM 445 CB MET A 33 1.373 -0.716 -0.969 1.00 0.00 C ATOM 446 CG MET A 33 2.521 -1.431 -0.244 1.00 0.00 C ATOM 447 SD MET A 33 4.073 -1.127 -1.122 1.00 0.00 S ATOM 448 CE MET A 33 3.915 -2.463 -2.331 1.00 0.00 C ATOM 0 H MET A 33 0.272 -2.613 0.221 1.00 0.00 H new ATOM 0 HA MET A 33 0.526 0.202 0.786 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.039 -1.311 -1.819 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.718 0.239 -1.365 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.596 -1.073 0.783 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.323 -2.502 -0.194 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.747 -2.418 -3.034 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.927 -3.423 -1.816 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.976 -2.354 -2.873 1.00 0.00 H new ATOM 458 N ARG A 34 -1.761 -0.691 -1.444 1.00 0.00 N ATOM 459 CA ARG A 34 -2.940 -0.121 -2.177 1.00 0.00 C ATOM 460 C ARG A 34 -3.888 0.554 -1.193 1.00 0.00 C ATOM 461 O ARG A 34 -4.124 1.744 -1.249 1.00 0.00 O ATOM 462 CB ARG A 34 -3.723 -1.225 -2.884 1.00 0.00 C ATOM 463 CG ARG A 34 -4.879 -0.604 -3.671 1.00 0.00 C ATOM 464 CD ARG A 34 -5.405 -1.613 -4.697 1.00 0.00 C ATOM 465 NE ARG A 34 -6.628 -1.072 -5.356 1.00 0.00 N ATOM 466 CZ ARG A 34 -7.404 -1.871 -6.040 1.00 0.00 C ATOM 467 NH1 ARG A 34 -7.098 -3.134 -6.156 1.00 0.00 N ATOM 468 NH2 ARG A 34 -8.482 -1.408 -6.615 1.00 0.00 N ATOM 0 H ARG A 34 -1.626 -1.697 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.561 0.595 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.067 -1.778 -3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.107 -1.938 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.679 -0.311 -2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.543 0.302 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.639 -1.819 -5.444 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.633 -2.559 -4.206 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.858 -0.082 -5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.254 -3.497 -5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.703 -3.758 -6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.721 -0.420 -6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.085 -2.035 -7.148 1.00 0.00 H new ATOM 482 N ALA A 35 -4.457 -0.216 -0.311 1.00 0.00 N ATOM 483 CA ALA A 35 -5.427 0.356 0.666 1.00 0.00 C ATOM 484 C ALA A 35 -4.764 1.480 1.462 1.00 0.00 C ATOM 485 O ALA A 35 -5.423 2.402 1.900 1.00 0.00 O ATOM 486 CB ALA A 35 -5.884 -0.746 1.626 1.00 0.00 C ATOM 0 H ALA A 35 -4.293 -1.219 -0.223 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.286 0.758 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.594 -0.333 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.363 -1.545 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.021 -1.145 2.159 1.00 0.00 H new ATOM 492 N ALA A 36 -3.472 1.442 1.636 1.00 0.00 N ATOM 493 CA ALA A 36 -2.811 2.548 2.381 1.00 0.00 C ATOM 494 C ALA A 36 -3.072 3.851 1.631 1.00 0.00 C ATOM 495 O ALA A 36 -3.376 4.871 2.219 1.00 0.00 O ATOM 496 CB ALA A 36 -1.304 2.303 2.465 1.00 0.00 C ATOM 0 H ALA A 36 -2.853 0.704 1.300 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.211 2.601 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.833 3.119 3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.117 1.363 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.887 2.252 1.459 1.00 0.00 H new ATOM 502 N ALA A 37 -2.967 3.822 0.329 1.00 0.00 N ATOM 503 CA ALA A 37 -3.222 5.052 -0.466 1.00 0.00 C ATOM 504 C ALA A 37 -4.671 5.492 -0.253 1.00 0.00 C ATOM 505 O ALA A 37 -4.949 6.650 -0.017 1.00 0.00 O ATOM 506 CB ALA A 37 -2.991 4.759 -1.948 1.00 0.00 C ATOM 0 H ALA A 37 -2.715 2.997 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.545 5.844 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.178 5.661 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.961 4.437 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.669 3.970 -2.273 1.00 0.00 H new ATOM 512 N LEU A 38 -5.597 4.573 -0.334 1.00 0.00 N ATOM 513 CA LEU A 38 -7.028 4.940 -0.135 1.00 0.00 C ATOM 514 C LEU A 38 -7.237 5.428 1.298 1.00 0.00 C ATOM 515 O LEU A 38 -8.050 6.287 1.563 1.00 0.00 O ATOM 516 CB LEU A 38 -7.917 3.722 -0.376 1.00 0.00 C ATOM 517 CG LEU A 38 -7.514 3.029 -1.679 1.00 0.00 C ATOM 518 CD1 LEU A 38 -8.446 1.841 -1.919 1.00 0.00 C ATOM 519 CD2 LEU A 38 -7.618 4.019 -2.853 1.00 0.00 C ATOM 0 H LEU A 38 -5.424 3.587 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.291 5.729 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.828 3.026 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.962 4.028 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.484 2.680 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.166 1.341 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.363 1.140 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.474 2.195 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.330 3.519 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.644 4.376 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.954 4.865 -2.676 1.00 0.00 H new ATOM 531 N ASP A 39 -6.519 4.882 2.232 1.00 0.00 N ATOM 532 CA ASP A 39 -6.697 5.335 3.636 1.00 0.00 C ATOM 533 C ASP A 39 -6.315 6.807 3.734 1.00 0.00 C ATOM 534 O ASP A 39 -7.127 7.649 4.056 1.00 0.00 O ATOM 535 CB ASP A 39 -5.815 4.499 4.575 1.00 0.00 C ATOM 536 CG ASP A 39 -6.358 4.579 6.006 1.00 0.00 C ATOM 537 OD1 ASP A 39 -6.618 5.681 6.460 1.00 0.00 O ATOM 538 OD2 ASP A 39 -6.504 3.536 6.622 1.00 0.00 O ATOM 0 H ASP A 39 -5.824 4.150 2.089 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.738 5.206 3.933 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.795 3.461 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.788 4.864 4.545 1.00 0.00 H new ATOM 543 N ALA A 40 -5.088 7.133 3.465 1.00 0.00 N ATOM 544 CA ALA A 40 -4.684 8.558 3.557 1.00 0.00 C ATOM 545 C ALA A 40 -5.465 9.386 2.533 1.00 0.00 C ATOM 546 O ALA A 40 -5.401 10.599 2.524 1.00 0.00 O ATOM 547 CB ALA A 40 -3.182 8.685 3.288 1.00 0.00 C ATOM 0 H ALA A 40 -4.353 6.483 3.188 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.903 8.930 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.887 9.732 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.630 8.104 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.958 8.309 2.290 1.00 0.00 H new ATOM 553 N GLN A 41 -6.196 8.742 1.661 1.00 0.00 N ATOM 554 CA GLN A 41 -6.966 9.500 0.631 1.00 0.00 C ATOM 555 C GLN A 41 -8.170 10.201 1.259 1.00 0.00 C ATOM 556 O GLN A 41 -9.294 9.745 1.167 1.00 0.00 O ATOM 557 CB GLN A 41 -7.444 8.559 -0.480 1.00 0.00 C ATOM 558 CG GLN A 41 -8.168 9.363 -1.565 1.00 0.00 C ATOM 559 CD GLN A 41 -8.553 8.431 -2.719 1.00 0.00 C ATOM 560 OE1 GLN A 41 -9.338 7.413 -2.489 1.00 0.00 O flip ATOM 561 NE2 GLN A 41 -8.143 8.633 -3.843 1.00 0.00 N flip ATOM 0 H GLN A 41 -6.293 7.728 1.617 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.303 10.253 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.594 8.030 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.113 7.804 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.059 9.833 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.525 10.164 -1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.530 9.427 -4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.412 8.009 -4.604 1.00 0.00 H new ATOM 570 N LYS A 42 -7.944 11.320 1.867 1.00 0.00 N ATOM 571 CA LYS A 42 -9.067 12.094 2.470 1.00 0.00 C ATOM 572 C LYS A 42 -9.927 11.195 3.364 1.00 0.00 C ATOM 573 O LYS A 42 -11.142 11.242 3.313 1.00 0.00 O ATOM 574 CB LYS A 42 -9.937 12.679 1.344 1.00 0.00 C ATOM 575 CG LYS A 42 -9.048 13.156 0.186 1.00 0.00 C ATOM 576 CD LYS A 42 -8.064 14.213 0.692 1.00 0.00 C ATOM 577 CE LYS A 42 -7.435 14.938 -0.500 1.00 0.00 C ATOM 578 NZ LYS A 42 -8.425 15.885 -1.082 1.00 0.00 N ATOM 0 H LYS A 42 -7.022 11.742 1.977 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.654 12.896 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.639 11.926 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.529 13.511 1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.504 12.312 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.665 13.571 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.579 14.927 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.288 13.743 1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.543 15.477 -0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.119 14.216 -1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.928 16.603 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.088 15.364 -1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.952 16.351 -0.316 1.00 0.00 H new ATOM 592 N ALA A 43 -9.311 10.396 4.195 1.00 0.00 N ATOM 593 CA ALA A 43 -10.095 9.503 5.120 1.00 0.00 C ATOM 594 C ALA A 43 -9.461 9.561 6.514 1.00 0.00 C ATOM 595 O ALA A 43 -10.130 9.784 7.504 1.00 0.00 O ATOM 596 CB ALA A 43 -10.092 8.059 4.591 1.00 0.00 C ATOM 0 H ALA A 43 -8.297 10.318 4.278 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.129 9.843 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.662 7.422 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.546 8.033 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.066 7.696 4.529 1.00 0.00 H new ATOM 602 N THR A 44 -8.167 9.385 6.590 1.00 0.00 N ATOM 603 CA THR A 44 -7.454 9.449 7.896 1.00 0.00 C ATOM 604 C THR A 44 -6.241 10.362 7.702 1.00 0.00 C ATOM 605 O THR A 44 -5.124 9.998 8.013 1.00 0.00 O ATOM 606 CB THR A 44 -6.985 8.045 8.290 1.00 0.00 C ATOM 607 OG1 THR A 44 -8.048 7.123 8.098 1.00 0.00 O ATOM 608 CG2 THR A 44 -6.562 8.038 9.760 1.00 0.00 C ATOM 0 H THR A 44 -7.567 9.197 5.787 1.00 0.00 H new ATOM 0 HA THR A 44 -8.106 9.831 8.681 1.00 0.00 H new ATOM 0 HB THR A 44 -6.136 7.758 7.670 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.825 6.516 7.362 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.229 7.038 10.038 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.747 8.746 9.907 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.409 8.325 10.384 1.00 0.00 H new ATOM 616 N PRO A 45 -6.485 11.555 7.202 1.00 0.00 N ATOM 617 CA PRO A 45 -5.445 12.583 6.950 1.00 0.00 C ATOM 618 C PRO A 45 -4.225 12.447 7.879 1.00 0.00 C ATOM 619 O PRO A 45 -4.165 13.062 8.925 1.00 0.00 O ATOM 620 CB PRO A 45 -6.205 13.876 7.230 1.00 0.00 C ATOM 621 CG PRO A 45 -7.609 13.604 6.759 1.00 0.00 C ATOM 622 CD PRO A 45 -7.813 12.072 6.820 1.00 0.00 C ATOM 0 HA PRO A 45 -5.020 12.514 5.949 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.185 14.125 8.291 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.764 14.718 6.696 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.335 14.116 7.391 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.754 13.973 5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.574 11.799 7.551 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.136 11.673 5.859 1.00 0.00 H new ATOM 630 N PRO A 46 -3.254 11.645 7.492 1.00 0.00 N ATOM 631 CA PRO A 46 -2.021 11.424 8.283 1.00 0.00 C ATOM 632 C PRO A 46 -0.905 12.398 7.881 1.00 0.00 C ATOM 633 O PRO A 46 -0.561 13.302 8.617 1.00 0.00 O ATOM 634 CB PRO A 46 -1.644 9.970 7.943 1.00 0.00 C ATOM 635 CG PRO A 46 -2.325 9.650 6.625 1.00 0.00 C ATOM 636 CD PRO A 46 -3.213 10.854 6.256 1.00 0.00 C ATOM 0 HA PRO A 46 -2.168 11.592 9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.563 9.858 7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.975 9.289 8.727 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.585 9.467 5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.925 8.744 6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.791 11.425 5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.210 10.538 5.949 1.00 0.00 H new ATOM 644 N LYS A 47 -0.344 12.225 6.713 1.00 0.00 N ATOM 645 CA LYS A 47 0.740 13.145 6.263 1.00 0.00 C ATOM 646 C LYS A 47 0.110 14.424 5.724 1.00 0.00 C ATOM 647 O LYS A 47 0.764 15.436 5.569 1.00 0.00 O ATOM 648 CB LYS A 47 1.567 12.478 5.162 1.00 0.00 C ATOM 649 CG LYS A 47 1.851 11.024 5.549 1.00 0.00 C ATOM 650 CD LYS A 47 2.934 10.433 4.627 1.00 0.00 C ATOM 651 CE LYS A 47 4.334 10.789 5.146 1.00 0.00 C ATOM 652 NZ LYS A 47 5.357 10.058 4.344 1.00 0.00 N ATOM 0 H LYS A 47 -0.590 11.487 6.053 1.00 0.00 H new ATOM 0 HA LYS A 47 1.394 13.378 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.029 12.515 4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.503 13.017 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.179 10.973 6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.937 10.434 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.824 9.350 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.807 10.816 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.499 11.864 5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.423 10.523 6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.307 10.297 4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.202 9.034 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.276 10.333 3.344 1.00 0.00 H new ATOM 666 N LEU A 48 -1.169 14.398 5.469 1.00 0.00 N ATOM 667 CA LEU A 48 -1.844 15.624 4.975 1.00 0.00 C ATOM 668 C LEU A 48 -1.969 16.552 6.184 1.00 0.00 C ATOM 669 O LEU A 48 -1.534 17.685 6.169 1.00 0.00 O ATOM 670 CB LEU A 48 -3.229 15.268 4.409 1.00 0.00 C ATOM 671 CG LEU A 48 -3.096 14.186 3.317 1.00 0.00 C ATOM 672 CD1 LEU A 48 -4.474 13.892 2.708 1.00 0.00 C ATOM 673 CD2 LEU A 48 -2.135 14.666 2.216 1.00 0.00 C ATOM 0 H LEU A 48 -1.771 13.583 5.582 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.283 16.103 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.876 14.909 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.700 16.159 3.993 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.698 13.276 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.376 13.127 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.148 13.537 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.878 14.803 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.047 13.896 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.522 15.581 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.154 14.861 2.649 1.00 0.00 H new ATOM 685 N GLU A 49 -2.517 16.041 7.251 1.00 0.00 N ATOM 686 CA GLU A 49 -2.634 16.832 8.511 1.00 0.00 C ATOM 687 C GLU A 49 -3.558 18.030 8.302 1.00 0.00 C ATOM 688 O GLU A 49 -3.450 19.022 8.991 1.00 0.00 O ATOM 689 CB GLU A 49 -1.224 17.303 8.930 1.00 0.00 C ATOM 690 CG GLU A 49 -1.075 17.284 10.457 1.00 0.00 C ATOM 691 CD GLU A 49 -2.044 18.291 11.079 1.00 0.00 C ATOM 692 OE1 GLU A 49 -3.177 17.917 11.329 1.00 0.00 O ATOM 693 OE2 GLU A 49 -1.634 19.419 11.296 1.00 0.00 O ATOM 0 H GLU A 49 -2.895 15.095 7.305 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.062 16.212 9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.471 16.657 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.046 18.311 8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.278 16.284 10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.050 17.530 10.736 1.00 0.00 H new ATOM 700 N ASP A 50 -4.451 17.929 7.354 1.00 0.00 N ATOM 701 CA ASP A 50 -5.414 19.035 7.055 1.00 0.00 C ATOM 702 C ASP A 50 -4.802 19.951 6.005 1.00 0.00 C ATOM 703 O ASP A 50 -4.801 21.160 6.140 1.00 0.00 O ATOM 704 CB ASP A 50 -5.774 19.838 8.323 1.00 0.00 C ATOM 705 CG ASP A 50 -7.152 20.486 8.154 1.00 0.00 C ATOM 706 OD1 ASP A 50 -8.132 19.759 8.165 1.00 0.00 O ATOM 707 OD2 ASP A 50 -7.202 21.697 8.022 1.00 0.00 O ATOM 0 H ASP A 50 -4.557 17.107 6.759 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.339 18.599 6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.775 19.181 9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.021 20.605 8.505 1.00 0.00 H new ATOM 712 N LYS A 51 -4.290 19.378 4.951 1.00 0.00 N ATOM 713 CA LYS A 51 -3.682 20.189 3.862 1.00 0.00 C ATOM 714 C LYS A 51 -4.660 20.212 2.696 1.00 0.00 C ATOM 715 O LYS A 51 -4.728 21.174 1.963 1.00 0.00 O ATOM 716 CB LYS A 51 -2.354 19.545 3.437 1.00 0.00 C ATOM 717 CG LYS A 51 -1.223 20.030 4.347 1.00 0.00 C ATOM 718 CD LYS A 51 0.044 19.216 4.067 1.00 0.00 C ATOM 719 CE LYS A 51 1.153 19.644 5.028 1.00 0.00 C ATOM 720 NZ LYS A 51 0.789 19.245 6.417 1.00 0.00 N ATOM 0 H LYS A 51 -4.267 18.370 4.797 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.482 21.207 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.434 18.459 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.132 19.799 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.033 21.089 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.512 19.924 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.162 18.152 4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.364 19.367 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.097 19.180 4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.299 20.723 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.523 20.090 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.013 18.584 6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.603 18.783 6.870 1.00 0.00 H new ATOM 734 N SER A 52 -5.462 19.186 2.538 1.00 0.00 N ATOM 735 CA SER A 52 -6.461 19.212 1.429 1.00 0.00 C ATOM 736 C SER A 52 -5.747 19.651 0.139 1.00 0.00 C ATOM 737 O SER A 52 -4.539 19.764 0.113 1.00 0.00 O ATOM 738 CB SER A 52 -7.548 20.221 1.841 1.00 0.00 C ATOM 739 OG SER A 52 -8.834 19.710 1.518 1.00 0.00 O ATOM 0 H SER A 52 -5.468 18.347 3.118 1.00 0.00 H new ATOM 0 HA SER A 52 -6.912 18.237 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.485 20.419 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.386 21.171 1.331 1.00 0.00 H new ATOM 0 HG SER A 52 -9.520 20.357 1.785 1.00 0.00 H new ATOM 745 N PRO A 53 -6.472 19.908 -0.912 1.00 0.00 N ATOM 746 CA PRO A 53 -5.875 20.373 -2.201 1.00 0.00 C ATOM 747 C PRO A 53 -5.109 21.698 -2.030 1.00 0.00 C ATOM 748 O PRO A 53 -5.095 22.538 -2.907 1.00 0.00 O ATOM 749 CB PRO A 53 -7.099 20.544 -3.116 1.00 0.00 C ATOM 750 CG PRO A 53 -8.137 19.657 -2.514 1.00 0.00 C ATOM 751 CD PRO A 53 -7.929 19.765 -1.013 1.00 0.00 C ATOM 0 HA PRO A 53 -5.138 19.676 -2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.431 21.582 -3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.873 20.252 -4.142 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.140 19.976 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.022 18.628 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.453 20.622 -0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.289 18.881 -0.487 1.00 0.00 H new ATOM 759 N ASP A 54 -4.455 21.869 -0.905 1.00 0.00 N ATOM 760 CA ASP A 54 -3.667 23.096 -0.641 1.00 0.00 C ATOM 761 C ASP A 54 -2.210 22.766 -0.929 1.00 0.00 C ATOM 762 O ASP A 54 -1.606 21.977 -0.229 1.00 0.00 O ATOM 763 CB ASP A 54 -3.816 23.505 0.833 1.00 0.00 C ATOM 764 CG ASP A 54 -3.303 24.935 1.019 1.00 0.00 C ATOM 765 OD1 ASP A 54 -3.737 25.801 0.279 1.00 0.00 O ATOM 766 OD2 ASP A 54 -2.485 25.140 1.902 1.00 0.00 O ATOM 0 H ASP A 54 -4.440 21.188 -0.146 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.015 23.919 -1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.861 23.440 1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.256 22.820 1.470 1.00 0.00 H new ATOM 771 N SER A 55 -1.654 23.340 -1.959 1.00 0.00 N ATOM 772 CA SER A 55 -0.230 23.062 -2.330 1.00 0.00 C ATOM 773 C SER A 55 -0.202 21.788 -3.208 1.00 0.00 C ATOM 774 O SER A 55 -1.247 21.295 -3.588 1.00 0.00 O ATOM 775 CB SER A 55 0.623 22.905 -1.054 1.00 0.00 C ATOM 776 OG SER A 55 0.028 23.646 0.007 1.00 0.00 O ATOM 0 H SER A 55 -2.131 24.001 -2.572 1.00 0.00 H new ATOM 0 HA SER A 55 0.195 23.890 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.697 21.853 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.638 23.260 -1.236 1.00 0.00 H new ATOM 0 HG SER A 55 -0.463 23.036 0.596 1.00 0.00 H new ATOM 782 N PRO A 56 0.956 21.255 -3.559 1.00 0.00 N ATOM 783 CA PRO A 56 1.040 20.034 -4.431 1.00 0.00 C ATOM 784 C PRO A 56 0.242 18.832 -3.898 1.00 0.00 C ATOM 785 O PRO A 56 0.215 17.789 -4.521 1.00 0.00 O ATOM 786 CB PRO A 56 2.540 19.706 -4.469 1.00 0.00 C ATOM 787 CG PRO A 56 3.216 21.002 -4.180 1.00 0.00 C ATOM 788 CD PRO A 56 2.306 21.730 -3.193 1.00 0.00 C ATOM 0 HA PRO A 56 0.604 20.232 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.799 18.950 -3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.835 19.313 -5.442 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.206 20.841 -3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.352 21.585 -5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.553 21.482 -2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.391 22.812 -3.290 1.00 0.00 H new ATOM 796 N GLU A 57 -0.408 18.950 -2.767 1.00 0.00 N ATOM 797 CA GLU A 57 -1.189 17.781 -2.256 1.00 0.00 C ATOM 798 C GLU A 57 -2.064 17.237 -3.387 1.00 0.00 C ATOM 799 O GLU A 57 -2.065 16.059 -3.668 1.00 0.00 O ATOM 800 CB GLU A 57 -2.092 18.206 -1.081 1.00 0.00 C ATOM 801 CG GLU A 57 -3.128 17.102 -0.799 1.00 0.00 C ATOM 802 CD GLU A 57 -3.766 17.314 0.572 1.00 0.00 C ATOM 803 OE1 GLU A 57 -3.229 18.088 1.339 1.00 0.00 O ATOM 804 OE2 GLU A 57 -4.788 16.697 0.831 1.00 0.00 O ATOM 0 H GLU A 57 -0.433 19.787 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.495 17.015 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.488 18.387 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.598 19.142 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.897 17.110 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.648 16.124 -0.837 1.00 0.00 H new ATOM 811 N MET A 58 -2.812 18.096 -4.023 1.00 0.00 N ATOM 812 CA MET A 58 -3.713 17.655 -5.125 1.00 0.00 C ATOM 813 C MET A 58 -2.936 16.840 -6.162 1.00 0.00 C ATOM 814 O MET A 58 -3.296 15.721 -6.465 1.00 0.00 O ATOM 815 CB MET A 58 -4.311 18.901 -5.791 1.00 0.00 C ATOM 816 CG MET A 58 -5.236 18.504 -6.962 1.00 0.00 C ATOM 817 SD MET A 58 -4.341 18.661 -8.530 1.00 0.00 S ATOM 818 CE MET A 58 -5.789 18.913 -9.587 1.00 0.00 C ATOM 0 H MET A 58 -2.837 19.096 -3.824 1.00 0.00 H new ATOM 0 HA MET A 58 -4.504 17.025 -4.718 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.873 19.478 -5.056 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.510 19.544 -6.156 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.583 17.479 -6.832 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.120 19.142 -6.972 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.468 19.036 -10.621 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.449 18.049 -9.512 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.324 19.807 -9.265 1.00 0.00 H new ATOM 828 N LYS A 59 -1.882 17.375 -6.719 1.00 0.00 N ATOM 829 CA LYS A 59 -1.130 16.587 -7.735 1.00 0.00 C ATOM 830 C LYS A 59 -0.466 15.381 -7.070 1.00 0.00 C ATOM 831 O LYS A 59 -0.642 14.261 -7.497 1.00 0.00 O ATOM 832 CB LYS A 59 -0.058 17.456 -8.403 1.00 0.00 C ATOM 833 CG LYS A 59 -0.543 18.898 -8.511 1.00 0.00 C ATOM 834 CD LYS A 59 0.476 19.703 -9.320 1.00 0.00 C ATOM 835 CE LYS A 59 0.346 19.398 -10.822 1.00 0.00 C ATOM 836 NZ LYS A 59 0.925 20.522 -11.613 1.00 0.00 N ATOM 0 H LYS A 59 -1.515 18.306 -6.519 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.832 16.244 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.865 17.417 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.171 17.066 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.520 18.932 -8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.663 19.331 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.325 20.768 -9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.485 19.465 -8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.863 18.468 -11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.702 19.257 -11.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.836 20.314 -12.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.414 21.401 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.930 20.636 -11.370 1.00 0.00 H new ATOM 850 N ASP A 60 0.299 15.591 -6.033 1.00 0.00 N ATOM 851 CA ASP A 60 0.958 14.424 -5.375 1.00 0.00 C ATOM 852 C ASP A 60 -0.113 13.411 -5.012 1.00 0.00 C ATOM 853 O ASP A 60 0.114 12.229 -5.033 1.00 0.00 O ATOM 854 CB ASP A 60 1.695 14.833 -4.096 1.00 0.00 C ATOM 855 CG ASP A 60 2.406 13.609 -3.515 1.00 0.00 C ATOM 856 OD1 ASP A 60 2.761 12.732 -4.288 1.00 0.00 O ATOM 857 OD2 ASP A 60 2.581 13.565 -2.309 1.00 0.00 O ATOM 0 H ASP A 60 0.495 16.502 -5.618 1.00 0.00 H new ATOM 0 HA ASP A 60 1.687 14.006 -6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.418 15.620 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.991 15.239 -3.370 1.00 0.00 H new ATOM 862 N PHE A 61 -1.292 13.861 -4.706 1.00 0.00 N ATOM 863 CA PHE A 61 -2.362 12.903 -4.378 1.00 0.00 C ATOM 864 C PHE A 61 -2.688 12.182 -5.670 1.00 0.00 C ATOM 865 O PHE A 61 -2.684 10.972 -5.742 1.00 0.00 O ATOM 866 CB PHE A 61 -3.578 13.671 -3.830 1.00 0.00 C ATOM 867 CG PHE A 61 -4.865 12.889 -3.972 1.00 0.00 C ATOM 868 CD1 PHE A 61 -4.866 11.492 -3.909 1.00 0.00 C ATOM 869 CD2 PHE A 61 -6.066 13.582 -4.153 1.00 0.00 C ATOM 870 CE1 PHE A 61 -6.070 10.788 -4.035 1.00 0.00 C ATOM 871 CE2 PHE A 61 -7.266 12.885 -4.277 1.00 0.00 C ATOM 872 CZ PHE A 61 -7.272 11.485 -4.222 1.00 0.00 C ATOM 0 H PHE A 61 -1.555 14.846 -4.670 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.065 12.186 -3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.413 13.906 -2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.673 14.620 -4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.939 10.957 -3.763 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.063 14.661 -4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.073 9.709 -3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.192 13.424 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.201 10.944 -4.323 1.00 0.00 H new ATOM 882 N ARG A 62 -2.933 12.933 -6.700 1.00 0.00 N ATOM 883 CA ARG A 62 -3.236 12.321 -8.010 1.00 0.00 C ATOM 884 C ARG A 62 -2.015 11.533 -8.509 1.00 0.00 C ATOM 885 O ARG A 62 -2.089 10.344 -8.742 1.00 0.00 O ATOM 886 CB ARG A 62 -3.592 13.428 -9.011 1.00 0.00 C ATOM 887 CG ARG A 62 -4.920 14.122 -8.597 1.00 0.00 C ATOM 888 CD ARG A 62 -6.052 13.731 -9.558 1.00 0.00 C ATOM 889 NE ARG A 62 -7.350 14.255 -9.044 1.00 0.00 N ATOM 890 CZ ARG A 62 -8.471 13.908 -9.623 1.00 0.00 C ATOM 891 NH1 ARG A 62 -8.454 13.110 -10.656 1.00 0.00 N ATOM 892 NH2 ARG A 62 -9.610 14.360 -9.171 1.00 0.00 N ATOM 0 H ARG A 62 -2.936 13.953 -6.688 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.079 11.637 -7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.788 14.162 -9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.691 13.006 -10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.184 13.837 -7.579 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.789 15.204 -8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.854 14.133 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.100 12.647 -9.657 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.364 14.884 -8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.566 12.756 -11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.328 12.840 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.627 14.985 -8.365 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.482 14.088 -9.624 1.00 0.00 H new ATOM 906 N HIS A 63 -0.898 12.191 -8.680 1.00 0.00 N ATOM 907 CA HIS A 63 0.324 11.489 -9.173 1.00 0.00 C ATOM 908 C HIS A 63 0.803 10.449 -8.142 1.00 0.00 C ATOM 909 O HIS A 63 1.404 9.456 -8.494 1.00 0.00 O ATOM 910 CB HIS A 63 1.430 12.533 -9.415 1.00 0.00 C ATOM 911 CG HIS A 63 2.401 12.040 -10.459 1.00 0.00 C ATOM 912 ND1 HIS A 63 2.218 11.588 -11.742 1.00 0.00 N flip ATOM 913 CD2 HIS A 63 3.769 11.995 -10.235 1.00 0.00 C flip ATOM 914 CE1 HIS A 63 3.449 11.268 -12.309 1.00 0.00 C flip ATOM 915 NE2 HIS A 63 4.350 11.533 -11.357 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.779 13.188 -8.499 1.00 0.00 H new ATOM 0 HA HIS A 63 0.092 10.967 -10.102 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.986 13.474 -9.739 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.959 12.734 -8.483 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.276 12.279 -9.325 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.636 10.888 -13.303 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.355 11.401 -11.468 1.00 0.00 H new ATOM 923 N GLY A 64 0.570 10.680 -6.877 1.00 0.00 N ATOM 924 CA GLY A 64 1.046 9.709 -5.841 1.00 0.00 C ATOM 925 C GLY A 64 0.180 8.441 -5.826 1.00 0.00 C ATOM 926 O GLY A 64 0.684 7.342 -5.935 1.00 0.00 O ATOM 0 H GLY A 64 0.073 11.494 -6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.084 9.441 -6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.021 10.181 -4.859 1.00 0.00 H new ATOM 930 N PHE A 65 -1.112 8.572 -5.671 1.00 0.00 N ATOM 931 CA PHE A 65 -1.980 7.354 -5.630 1.00 0.00 C ATOM 932 C PHE A 65 -1.987 6.674 -7.008 1.00 0.00 C ATOM 933 O PHE A 65 -2.179 5.481 -7.112 1.00 0.00 O ATOM 934 CB PHE A 65 -3.416 7.738 -5.152 1.00 0.00 C ATOM 935 CG PHE A 65 -4.423 7.776 -6.294 1.00 0.00 C ATOM 936 CD1 PHE A 65 -4.840 6.584 -6.898 1.00 0.00 C ATOM 937 CD2 PHE A 65 -4.945 8.998 -6.736 1.00 0.00 C ATOM 938 CE1 PHE A 65 -5.772 6.615 -7.943 1.00 0.00 C ATOM 939 CE2 PHE A 65 -5.876 9.030 -7.778 1.00 0.00 C ATOM 940 CZ PHE A 65 -6.290 7.839 -8.383 1.00 0.00 C ATOM 0 H PHE A 65 -1.602 9.461 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.581 6.637 -4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.749 7.020 -4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.385 8.714 -4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.443 5.639 -6.558 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.627 9.919 -6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.091 5.695 -8.409 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.276 9.975 -8.116 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.009 7.863 -9.189 1.00 0.00 H new ATOM 950 N ASP A 66 -1.768 7.412 -8.060 1.00 0.00 N ATOM 951 CA ASP A 66 -1.758 6.783 -9.413 1.00 0.00 C ATOM 952 C ASP A 66 -0.529 5.890 -9.542 1.00 0.00 C ATOM 953 O ASP A 66 -0.611 4.760 -9.980 1.00 0.00 O ATOM 954 CB ASP A 66 -1.711 7.875 -10.484 1.00 0.00 C ATOM 955 CG ASP A 66 -1.823 7.237 -11.871 1.00 0.00 C ATOM 956 OD1 ASP A 66 -2.159 6.066 -11.938 1.00 0.00 O ATOM 957 OD2 ASP A 66 -1.570 7.931 -12.841 1.00 0.00 O ATOM 0 H ASP A 66 -1.596 8.417 -8.044 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.660 6.186 -9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.525 8.584 -10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.780 8.437 -10.405 1.00 0.00 H new ATOM 962 N ILE A 67 0.611 6.386 -9.165 1.00 0.00 N ATOM 963 CA ILE A 67 1.844 5.566 -9.264 1.00 0.00 C ATOM 964 C ILE A 67 1.715 4.328 -8.378 1.00 0.00 C ATOM 965 O ILE A 67 1.891 3.222 -8.833 1.00 0.00 O ATOM 966 CB ILE A 67 3.050 6.409 -8.846 1.00 0.00 C ATOM 967 CG1 ILE A 67 3.244 7.515 -9.885 1.00 0.00 C ATOM 968 CG2 ILE A 67 4.313 5.531 -8.773 1.00 0.00 C ATOM 969 CD1 ILE A 67 4.223 8.555 -9.340 1.00 0.00 C ATOM 0 H ILE A 67 0.743 7.326 -8.792 1.00 0.00 H new ATOM 0 HA ILE A 67 1.986 5.238 -10.294 1.00 0.00 H new ATOM 0 HB ILE A 67 2.877 6.843 -7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.625 7.093 -10.815 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.288 7.985 -10.116 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.164 6.143 -8.475 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.162 4.737 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.507 5.091 -9.751 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.363 9.345 -10.078 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.824 8.984 -8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.181 8.079 -9.132 1.00 0.00 H new ATOM 981 N LEU A 68 1.395 4.496 -7.122 1.00 0.00 N ATOM 982 CA LEU A 68 1.268 3.306 -6.225 1.00 0.00 C ATOM 983 C LEU A 68 0.265 2.326 -6.851 1.00 0.00 C ATOM 984 O LEU A 68 0.536 1.153 -6.989 1.00 0.00 O ATOM 985 CB LEU A 68 0.772 3.759 -4.819 1.00 0.00 C ATOM 986 CG LEU A 68 1.879 3.575 -3.765 1.00 0.00 C ATOM 987 CD1 LEU A 68 2.934 4.669 -3.927 1.00 0.00 C ATOM 988 CD2 LEU A 68 1.266 3.669 -2.372 1.00 0.00 C ATOM 0 H LEU A 68 1.217 5.398 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 68 2.235 2.817 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.468 4.805 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.107 3.181 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 68 2.347 2.600 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.715 4.535 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.371 4.608 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.469 5.646 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.046 3.539 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.799 4.646 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.514 2.889 -2.252 1.00 0.00 H new ATOM 1000 N VAL A 69 -0.876 2.795 -7.248 1.00 0.00 N ATOM 1001 CA VAL A 69 -1.867 1.876 -7.876 1.00 0.00 C ATOM 1002 C VAL A 69 -1.243 1.254 -9.140 1.00 0.00 C ATOM 1003 O VAL A 69 -1.472 0.104 -9.459 1.00 0.00 O ATOM 1004 CB VAL A 69 -3.139 2.692 -8.225 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -3.881 2.080 -9.417 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -4.079 2.719 -7.014 1.00 0.00 C ATOM 0 H VAL A 69 -1.170 3.769 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.140 1.070 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.830 3.704 -8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.768 2.674 -9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.225 2.070 -10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.179 1.060 -9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.973 3.293 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.363 1.700 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.571 3.184 -6.169 1.00 0.00 H new ATOM 1016 N GLY A 70 -0.471 2.017 -9.867 1.00 0.00 N ATOM 1017 CA GLY A 70 0.160 1.499 -11.122 1.00 0.00 C ATOM 1018 C GLY A 70 1.190 0.386 -10.845 1.00 0.00 C ATOM 1019 O GLY A 70 1.175 -0.647 -11.482 1.00 0.00 O ATOM 0 H GLY A 70 -0.247 2.987 -9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.616 1.116 -11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.649 2.321 -11.646 1.00 0.00 H new ATOM 1023 N GLN A 71 2.104 0.593 -9.928 1.00 0.00 N ATOM 1024 CA GLN A 71 3.147 -0.456 -9.659 1.00 0.00 C ATOM 1025 C GLN A 71 2.537 -1.576 -8.823 1.00 0.00 C ATOM 1026 O GLN A 71 2.845 -2.737 -9.005 1.00 0.00 O ATOM 1027 CB GLN A 71 4.359 0.174 -8.913 1.00 0.00 C ATOM 1028 CG GLN A 71 3.959 1.536 -8.343 1.00 0.00 C ATOM 1029 CD GLN A 71 4.973 2.010 -7.305 1.00 0.00 C ATOM 1030 OE1 GLN A 71 4.682 3.048 -6.562 1.00 0.00 O flip ATOM 1031 NE2 GLN A 71 6.038 1.439 -7.169 1.00 0.00 N flip ATOM 0 H GLN A 71 2.176 1.435 -9.356 1.00 0.00 H new ATOM 0 HA GLN A 71 3.498 -0.867 -10.606 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.687 -0.486 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.201 0.287 -9.596 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.889 2.266 -9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.971 1.468 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.261 0.631 -7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.708 1.768 -6.474 1.00 0.00 H new ATOM 1040 N ILE A 72 1.673 -1.243 -7.921 1.00 0.00 N ATOM 1041 CA ILE A 72 1.050 -2.295 -7.092 1.00 0.00 C ATOM 1042 C ILE A 72 0.271 -3.231 -8.011 1.00 0.00 C ATOM 1043 O ILE A 72 0.243 -4.430 -7.821 1.00 0.00 O ATOM 1044 CB ILE A 72 0.103 -1.634 -6.096 1.00 0.00 C ATOM 1045 CG1 ILE A 72 0.928 -0.818 -5.083 1.00 0.00 C ATOM 1046 CG2 ILE A 72 -0.701 -2.709 -5.362 1.00 0.00 C ATOM 1047 CD1 ILE A 72 0.024 0.166 -4.330 1.00 0.00 C ATOM 0 H ILE A 72 1.371 -0.290 -7.721 1.00 0.00 H new ATOM 0 HA ILE A 72 1.806 -2.862 -6.548 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.585 -0.973 -6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.415 -1.489 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.717 -0.274 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.377 -2.235 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.279 -3.287 -6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.020 -3.372 -4.829 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.620 0.736 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.442 0.848 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.749 -0.386 -3.796 1.00 0.00 H new ATOM 1059 N ASP A 73 -0.345 -2.689 -9.025 1.00 0.00 N ATOM 1060 CA ASP A 73 -1.102 -3.543 -9.975 1.00 0.00 C ATOM 1061 C ASP A 73 -0.115 -4.398 -10.768 1.00 0.00 C ATOM 1062 O ASP A 73 -0.309 -5.586 -10.939 1.00 0.00 O ATOM 1063 CB ASP A 73 -1.898 -2.656 -10.936 1.00 0.00 C ATOM 1064 CG ASP A 73 -2.703 -3.536 -11.893 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -2.111 -4.072 -12.816 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -3.900 -3.660 -11.686 1.00 0.00 O ATOM 0 H ASP A 73 -0.355 -1.691 -9.235 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.790 -4.186 -9.427 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.567 -2.003 -10.376 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.222 -2.012 -11.499 1.00 0.00 H new ATOM 1071 N ASP A 74 0.947 -3.808 -11.253 1.00 0.00 N ATOM 1072 CA ASP A 74 1.942 -4.599 -12.031 1.00 0.00 C ATOM 1073 C ASP A 74 2.586 -5.660 -11.133 1.00 0.00 C ATOM 1074 O ASP A 74 2.965 -6.724 -11.580 1.00 0.00 O ATOM 1075 CB ASP A 74 3.026 -3.667 -12.574 1.00 0.00 C ATOM 1076 CG ASP A 74 2.380 -2.374 -13.073 1.00 0.00 C ATOM 1077 OD1 ASP A 74 1.171 -2.361 -13.225 1.00 0.00 O ATOM 1078 OD2 ASP A 74 3.106 -1.419 -13.290 1.00 0.00 O ATOM 0 H ASP A 74 1.166 -2.818 -11.144 1.00 0.00 H new ATOM 0 HA ASP A 74 1.434 -5.092 -12.860 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.755 -3.445 -11.794 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.566 -4.154 -13.386 1.00 0.00 H new ATOM 1083 N ALA A 75 2.738 -5.362 -9.872 1.00 0.00 N ATOM 1084 CA ALA A 75 3.381 -6.325 -8.941 1.00 0.00 C ATOM 1085 C ALA A 75 2.454 -7.514 -8.669 1.00 0.00 C ATOM 1086 O ALA A 75 2.902 -8.606 -8.382 1.00 0.00 O ATOM 1087 CB ALA A 75 3.706 -5.606 -7.627 1.00 0.00 C ATOM 0 H ALA A 75 2.441 -4.484 -9.445 1.00 0.00 H new ATOM 0 HA ALA A 75 4.297 -6.704 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.178 -6.305 -6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.385 -4.776 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.786 -5.225 -7.184 1.00 0.00 H new ATOM 1093 N LEU A 76 1.166 -7.309 -8.737 1.00 0.00 N ATOM 1094 CA LEU A 76 0.225 -8.434 -8.464 1.00 0.00 C ATOM 1095 C LEU A 76 0.254 -9.428 -9.622 1.00 0.00 C ATOM 1096 O LEU A 76 0.422 -10.615 -9.426 1.00 0.00 O ATOM 1097 CB LEU A 76 -1.202 -7.882 -8.294 1.00 0.00 C ATOM 1098 CG LEU A 76 -2.178 -9.011 -7.851 1.00 0.00 C ATOM 1099 CD1 LEU A 76 -3.217 -8.451 -6.873 1.00 0.00 C ATOM 1100 CD2 LEU A 76 -2.921 -9.592 -9.065 1.00 0.00 C ATOM 0 H LEU A 76 0.727 -6.418 -8.968 1.00 0.00 H new ATOM 0 HA LEU A 76 0.530 -8.942 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.202 -7.082 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.543 -7.447 -9.233 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.591 -9.794 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.896 -9.247 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.711 -8.050 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.784 -7.657 -7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.598 -10.380 -8.734 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.493 -8.803 -9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.199 -10.006 -9.769 1.00 0.00 H new ATOM 1112 N LYS A 77 0.085 -8.964 -10.831 1.00 0.00 N ATOM 1113 CA LYS A 77 0.098 -9.912 -11.981 1.00 0.00 C ATOM 1114 C LYS A 77 1.420 -10.668 -11.943 1.00 0.00 C ATOM 1115 O LYS A 77 1.479 -11.856 -12.186 1.00 0.00 O ATOM 1116 CB LYS A 77 -0.026 -9.153 -13.312 1.00 0.00 C ATOM 1117 CG LYS A 77 0.973 -7.987 -13.354 1.00 0.00 C ATOM 1118 CD LYS A 77 1.058 -7.395 -14.762 1.00 0.00 C ATOM 1119 CE LYS A 77 1.594 -8.432 -15.771 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.446 -9.077 -16.467 1.00 0.00 N ATOM 0 H LYS A 77 -0.060 -7.983 -11.070 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.745 -10.598 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.161 -9.831 -14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.042 -8.775 -13.430 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.668 -7.215 -12.648 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.958 -8.334 -13.041 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.072 -7.054 -15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.710 -6.521 -14.753 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.248 -7.947 -16.496 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.191 -9.184 -15.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.597 -10.105 -16.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.432 -8.875 -15.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.371 -8.702 -17.434 1.00 0.00 H new ATOM 1134 N LEU A 78 2.476 -9.986 -11.612 1.00 0.00 N ATOM 1135 CA LEU A 78 3.793 -10.652 -11.524 1.00 0.00 C ATOM 1136 C LEU A 78 3.676 -11.759 -10.479 1.00 0.00 C ATOM 1137 O LEU A 78 3.982 -12.898 -10.737 1.00 0.00 O ATOM 1138 CB LEU A 78 4.856 -9.615 -11.112 1.00 0.00 C ATOM 1139 CG LEU A 78 6.233 -9.980 -11.698 1.00 0.00 C ATOM 1140 CD1 LEU A 78 6.599 -11.415 -11.294 1.00 0.00 C ATOM 1141 CD2 LEU A 78 6.224 -9.842 -13.240 1.00 0.00 C ATOM 0 H LEU A 78 2.480 -8.989 -11.398 1.00 0.00 H new ATOM 0 HA LEU A 78 4.091 -11.079 -12.481 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.559 -8.625 -11.459 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.920 -9.565 -10.025 1.00 0.00 H new ATOM 0 HG LEU A 78 6.980 -9.293 -11.300 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.573 -11.673 -11.709 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.637 -11.489 -10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.847 -12.104 -11.679 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.206 -10.104 -13.635 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.473 -10.511 -13.661 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.987 -8.813 -13.512 1.00 0.00 H new ATOM 1153 N ALA A 79 3.201 -11.439 -9.307 1.00 0.00 N ATOM 1154 CA ALA A 79 3.036 -12.498 -8.278 1.00 0.00 C ATOM 1155 C ALA A 79 2.106 -13.560 -8.859 1.00 0.00 C ATOM 1156 O ALA A 79 2.349 -14.744 -8.758 1.00 0.00 O ATOM 1157 CB ALA A 79 2.429 -11.903 -7.004 1.00 0.00 C ATOM 0 H ALA A 79 2.923 -10.500 -9.021 1.00 0.00 H new ATOM 0 HA ALA A 79 4.000 -12.935 -8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.312 -12.687 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.088 -11.126 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.455 -11.471 -7.232 1.00 0.00 H new ATOM 1163 N ASN A 80 1.058 -13.131 -9.502 1.00 0.00 N ATOM 1164 CA ASN A 80 0.123 -14.095 -10.137 1.00 0.00 C ATOM 1165 C ASN A 80 0.907 -14.924 -11.160 1.00 0.00 C ATOM 1166 O ASN A 80 1.169 -16.096 -10.976 1.00 0.00 O ATOM 1167 CB ASN A 80 -0.986 -13.318 -10.852 1.00 0.00 C ATOM 1168 CG ASN A 80 -2.157 -14.249 -11.157 1.00 0.00 C ATOM 1169 OD1 ASN A 80 -2.010 -15.455 -11.168 1.00 0.00 O ATOM 1170 ND2 ASN A 80 -3.323 -13.728 -11.404 1.00 0.00 N ATOM 0 H ASN A 80 0.809 -12.148 -9.615 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.320 -14.749 -9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.322 -12.489 -10.229 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.602 -12.887 -11.777 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.119 -14.333 -11.608 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.441 -12.715 -11.394 1.00 0.00 H new ATOM 1177 N GLU A 81 1.272 -14.295 -12.241 1.00 0.00 N ATOM 1178 CA GLU A 81 2.033 -14.974 -13.323 1.00 0.00 C ATOM 1179 C GLU A 81 3.487 -15.241 -12.889 1.00 0.00 C ATOM 1180 O GLU A 81 4.327 -15.565 -13.704 1.00 0.00 O ATOM 1181 CB GLU A 81 2.016 -14.040 -14.541 1.00 0.00 C ATOM 1182 CG GLU A 81 2.276 -14.826 -15.828 1.00 0.00 C ATOM 1183 CD GLU A 81 1.039 -15.659 -16.174 1.00 0.00 C ATOM 1184 OE1 GLU A 81 -0.016 -15.075 -16.350 1.00 0.00 O ATOM 1185 OE2 GLU A 81 1.169 -16.871 -16.258 1.00 0.00 O ATOM 0 H GLU A 81 1.068 -13.312 -12.423 1.00 0.00 H new ATOM 0 HA GLU A 81 1.579 -15.937 -13.556 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.052 -13.536 -14.605 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.774 -13.266 -14.422 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.507 -14.142 -16.644 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.142 -15.476 -15.702 1.00 0.00 H new ATOM 1192 N GLY A 82 3.806 -15.090 -11.625 1.00 0.00 N ATOM 1193 CA GLY A 82 5.222 -15.315 -11.177 1.00 0.00 C ATOM 1194 C GLY A 82 5.271 -15.994 -9.804 1.00 0.00 C ATOM 1195 O GLY A 82 4.314 -16.002 -9.059 1.00 0.00 O ATOM 0 H GLY A 82 3.154 -14.823 -10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.743 -15.932 -11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.747 -14.361 -11.132 1.00 0.00 H new ATOM 1199 N LYS A 83 6.408 -16.545 -9.465 1.00 0.00 N ATOM 1200 CA LYS A 83 6.571 -17.207 -8.137 1.00 0.00 C ATOM 1201 C LYS A 83 6.722 -16.108 -7.079 1.00 0.00 C ATOM 1202 O LYS A 83 6.712 -14.940 -7.400 1.00 0.00 O ATOM 1203 CB LYS A 83 7.830 -18.098 -8.169 1.00 0.00 C ATOM 1204 CG LYS A 83 7.740 -19.198 -7.102 1.00 0.00 C ATOM 1205 CD LYS A 83 8.950 -20.127 -7.221 1.00 0.00 C ATOM 1206 CE LYS A 83 8.923 -21.158 -6.088 1.00 0.00 C ATOM 1207 NZ LYS A 83 7.918 -22.214 -6.402 1.00 0.00 N ATOM 0 H LYS A 83 7.238 -16.564 -10.058 1.00 0.00 H new ATOM 0 HA LYS A 83 5.709 -17.831 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.938 -18.549 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.718 -17.489 -7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.707 -18.753 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.818 -19.766 -7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.939 -20.633 -8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.872 -19.547 -7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.910 -21.605 -5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.673 -20.672 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.911 -22.924 -5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.975 -21.783 -6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.166 -22.673 -7.302 1.00 0.00 H new ATOM 1221 N VAL A 84 6.861 -16.456 -5.829 1.00 0.00 N ATOM 1222 CA VAL A 84 6.998 -15.407 -4.783 1.00 0.00 C ATOM 1223 C VAL A 84 8.421 -14.835 -4.808 1.00 0.00 C ATOM 1224 O VAL A 84 8.618 -13.649 -4.635 1.00 0.00 O ATOM 1225 CB VAL A 84 6.710 -16.023 -3.409 1.00 0.00 C ATOM 1226 CG1 VAL A 84 7.130 -15.049 -2.298 1.00 0.00 C ATOM 1227 CG2 VAL A 84 5.211 -16.317 -3.290 1.00 0.00 C ATOM 0 H VAL A 84 6.885 -17.417 -5.489 1.00 0.00 H new ATOM 0 HA VAL A 84 6.288 -14.603 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 84 7.277 -16.948 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.922 -15.495 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.197 -14.841 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.570 -14.119 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.003 -16.755 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.649 -15.390 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.914 -17.016 -4.072 1.00 0.00 H new ATOM 1237 N LYS A 85 9.416 -15.653 -5.020 1.00 0.00 N ATOM 1238 CA LYS A 85 10.804 -15.114 -5.048 1.00 0.00 C ATOM 1239 C LYS A 85 10.880 -14.065 -6.162 1.00 0.00 C ATOM 1240 O LYS A 85 11.390 -12.979 -5.974 1.00 0.00 O ATOM 1241 CB LYS A 85 11.802 -16.260 -5.312 1.00 0.00 C ATOM 1242 CG LYS A 85 12.278 -16.857 -3.978 1.00 0.00 C ATOM 1243 CD LYS A 85 12.897 -18.239 -4.215 1.00 0.00 C ATOM 1244 CE LYS A 85 14.099 -18.122 -5.161 1.00 0.00 C ATOM 1245 NZ LYS A 85 14.998 -19.295 -4.966 1.00 0.00 N ATOM 0 H LYS A 85 9.330 -16.658 -5.173 1.00 0.00 H new ATOM 0 HA LYS A 85 11.060 -14.657 -4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.330 -17.033 -5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.655 -15.887 -5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.010 -16.196 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.439 -16.938 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.212 -18.673 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.153 -18.911 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.759 -18.079 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.642 -17.197 -4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.814 -19.218 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.332 -19.317 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.476 -20.170 -5.174 1.00 0.00 H new ATOM 1259 N GLU A 86 10.355 -14.377 -7.314 1.00 0.00 N ATOM 1260 CA GLU A 86 10.374 -13.394 -8.432 1.00 0.00 C ATOM 1261 C GLU A 86 9.478 -12.203 -8.074 1.00 0.00 C ATOM 1262 O GLU A 86 9.766 -11.071 -8.408 1.00 0.00 O ATOM 1263 CB GLU A 86 9.851 -14.064 -9.705 1.00 0.00 C ATOM 1264 CG GLU A 86 10.700 -15.296 -10.008 1.00 0.00 C ATOM 1265 CD GLU A 86 12.091 -14.855 -10.466 1.00 0.00 C ATOM 1266 OE1 GLU A 86 12.172 -14.141 -11.451 1.00 0.00 O ATOM 1267 OE2 GLU A 86 13.055 -15.237 -9.821 1.00 0.00 O ATOM 0 H GLU A 86 9.913 -15.271 -7.529 1.00 0.00 H new ATOM 0 HA GLU A 86 11.393 -13.046 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.807 -14.349 -9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.891 -13.365 -10.541 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.779 -15.924 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.224 -15.898 -10.782 1.00 0.00 H new ATOM 1274 N ALA A 87 8.385 -12.458 -7.409 1.00 0.00 N ATOM 1275 CA ALA A 87 7.454 -11.349 -7.037 1.00 0.00 C ATOM 1276 C ALA A 87 8.134 -10.388 -6.062 1.00 0.00 C ATOM 1277 O ALA A 87 8.222 -9.201 -6.306 1.00 0.00 O ATOM 1278 CB ALA A 87 6.198 -11.927 -6.376 1.00 0.00 C ATOM 0 H ALA A 87 8.094 -13.387 -7.106 1.00 0.00 H new ATOM 0 HA ALA A 87 7.180 -10.808 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.522 -11.115 -6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.697 -12.600 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.480 -12.478 -5.478 1.00 0.00 H new ATOM 1284 N GLN A 88 8.596 -10.885 -4.950 1.00 0.00 N ATOM 1285 CA GLN A 88 9.244 -9.986 -3.960 1.00 0.00 C ATOM 1286 C GLN A 88 10.438 -9.288 -4.624 1.00 0.00 C ATOM 1287 O GLN A 88 10.750 -8.157 -4.314 1.00 0.00 O ATOM 1288 CB GLN A 88 9.658 -10.808 -2.721 1.00 0.00 C ATOM 1289 CG GLN A 88 11.099 -11.324 -2.835 1.00 0.00 C ATOM 1290 CD GLN A 88 12.107 -10.219 -2.480 1.00 0.00 C ATOM 1291 OE1 GLN A 88 13.278 -10.337 -2.786 1.00 0.00 O ATOM 1292 NE2 GLN A 88 11.714 -9.147 -1.842 1.00 0.00 N ATOM 0 H GLN A 88 8.553 -11.869 -4.686 1.00 0.00 H new ATOM 0 HA GLN A 88 8.553 -9.213 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.562 -10.192 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 88 8.978 -11.652 -2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.238 -12.176 -2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.284 -11.678 -3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.734 -9.039 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.388 -8.419 -1.605 1.00 0.00 H new ATOM 1301 N ALA A 89 11.086 -9.939 -5.555 1.00 0.00 N ATOM 1302 CA ALA A 89 12.236 -9.293 -6.251 1.00 0.00 C ATOM 1303 C ALA A 89 11.736 -8.022 -6.942 1.00 0.00 C ATOM 1304 O ALA A 89 12.373 -6.987 -6.907 1.00 0.00 O ATOM 1305 CB ALA A 89 12.817 -10.255 -7.291 1.00 0.00 C ATOM 0 H ALA A 89 10.869 -10.887 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 89 13.015 -9.042 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.657 -9.779 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.159 -11.163 -6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.049 -10.508 -8.022 1.00 0.00 H new ATOM 1311 N ALA A 90 10.588 -8.094 -7.566 1.00 0.00 N ATOM 1312 CA ALA A 90 10.028 -6.899 -8.256 1.00 0.00 C ATOM 1313 C ALA A 90 9.852 -5.773 -7.234 1.00 0.00 C ATOM 1314 O ALA A 90 10.025 -4.608 -7.537 1.00 0.00 O ATOM 1315 CB ALA A 90 8.670 -7.254 -8.866 1.00 0.00 C ATOM 0 H ALA A 90 10.014 -8.935 -7.626 1.00 0.00 H new ATOM 0 HA ALA A 90 10.705 -6.576 -9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.259 -6.380 -9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.795 -8.064 -9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.988 -7.571 -8.077 1.00 0.00 H new ATOM 1321 N ALA A 91 9.509 -6.112 -6.023 1.00 0.00 N ATOM 1322 CA ALA A 91 9.327 -5.069 -4.977 1.00 0.00 C ATOM 1323 C ALA A 91 10.671 -4.380 -4.687 1.00 0.00 C ATOM 1324 O ALA A 91 10.736 -3.183 -4.492 1.00 0.00 O ATOM 1325 CB ALA A 91 8.804 -5.731 -3.696 1.00 0.00 C ATOM 0 H ALA A 91 9.346 -7.070 -5.712 1.00 0.00 H new ATOM 0 HA ALA A 91 8.613 -4.323 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.668 -4.973 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.850 -6.216 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.522 -6.475 -3.351 1.00 0.00 H new ATOM 1331 N GLU A 92 11.737 -5.136 -4.646 1.00 0.00 N ATOM 1332 CA GLU A 92 13.081 -4.546 -4.352 1.00 0.00 C ATOM 1333 C GLU A 92 13.458 -3.495 -5.393 1.00 0.00 C ATOM 1334 O GLU A 92 13.851 -2.395 -5.057 1.00 0.00 O ATOM 1335 CB GLU A 92 14.142 -5.644 -4.365 1.00 0.00 C ATOM 1336 CG GLU A 92 13.701 -6.786 -3.461 1.00 0.00 C ATOM 1337 CD GLU A 92 14.853 -7.780 -3.302 1.00 0.00 C ATOM 1338 OE1 GLU A 92 15.217 -8.396 -4.290 1.00 0.00 O ATOM 1339 OE2 GLU A 92 15.348 -7.911 -2.195 1.00 0.00 O ATOM 0 H GLU A 92 11.736 -6.144 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 92 13.032 -4.076 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.292 -6.008 -5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.098 -5.245 -4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.402 -6.399 -2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.830 -7.286 -3.886 1.00 0.00 H new ATOM 1346 N GLN A 93 13.372 -3.823 -6.653 1.00 0.00 N ATOM 1347 CA GLN A 93 13.765 -2.825 -7.689 1.00 0.00 C ATOM 1348 C GLN A 93 12.898 -1.577 -7.530 1.00 0.00 C ATOM 1349 O GLN A 93 13.350 -0.463 -7.738 1.00 0.00 O ATOM 1350 CB GLN A 93 13.581 -3.419 -9.089 1.00 0.00 C ATOM 1351 CG GLN A 93 12.221 -4.104 -9.186 1.00 0.00 C ATOM 1352 CD GLN A 93 12.066 -4.732 -10.571 1.00 0.00 C ATOM 1353 OE1 GLN A 93 12.669 -5.745 -10.861 1.00 0.00 O ATOM 1354 NE2 GLN A 93 11.278 -4.168 -11.443 1.00 0.00 N ATOM 0 H GLN A 93 13.052 -4.724 -7.007 1.00 0.00 H new ATOM 0 HA GLN A 93 14.815 -2.560 -7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.657 -2.633 -9.840 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.375 -4.136 -9.297 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.131 -4.870 -8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.424 -3.381 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.772 -3.317 -11.198 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.167 -4.578 -12.370 1.00 0.00 H new ATOM 1363 N LEU A 94 11.671 -1.740 -7.122 1.00 0.00 N ATOM 1364 CA LEU A 94 10.816 -0.545 -6.917 1.00 0.00 C ATOM 1365 C LEU A 94 11.316 0.170 -5.668 1.00 0.00 C ATOM 1366 O LEU A 94 11.092 1.350 -5.474 1.00 0.00 O ATOM 1367 CB LEU A 94 9.361 -0.951 -6.703 1.00 0.00 C ATOM 1368 CG LEU A 94 8.774 -1.559 -7.987 1.00 0.00 C ATOM 1369 CD1 LEU A 94 7.416 -2.191 -7.663 1.00 0.00 C ATOM 1370 CD2 LEU A 94 8.594 -0.473 -9.065 1.00 0.00 C ATOM 0 H LEU A 94 11.230 -2.638 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 94 10.869 0.099 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.295 -1.673 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.775 -0.081 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 94 9.458 -2.317 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.991 -2.625 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.547 -2.971 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.742 -1.427 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.178 -0.921 -9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.916 0.297 -8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.561 -0.025 -9.295 1.00 0.00 H new ATOM 1382 N LYS A 95 12.011 -0.542 -4.824 1.00 0.00 N ATOM 1383 CA LYS A 95 12.553 0.079 -3.591 1.00 0.00 C ATOM 1384 C LYS A 95 13.681 1.025 -4.003 1.00 0.00 C ATOM 1385 O LYS A 95 13.908 2.053 -3.401 1.00 0.00 O ATOM 1386 CB LYS A 95 13.094 -1.034 -2.681 1.00 0.00 C ATOM 1387 CG LYS A 95 13.101 -0.581 -1.218 1.00 0.00 C ATOM 1388 CD LYS A 95 14.056 0.612 -1.028 1.00 0.00 C ATOM 1389 CE LYS A 95 14.610 0.615 0.400 1.00 0.00 C ATOM 1390 NZ LYS A 95 13.482 0.575 1.371 1.00 0.00 N ATOM 0 H LYS A 95 12.226 -1.532 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 95 11.785 0.635 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.480 -1.928 -2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.105 -1.303 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 95 12.093 -0.300 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.409 -1.407 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.875 0.551 -1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.529 1.546 -1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.263 -0.245 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.214 1.507 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.815 0.896 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.718 1.200 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 13.124 -0.398 1.447 1.00 0.00 H new ATOM 1404 N THR A 96 14.377 0.686 -5.050 1.00 0.00 N ATOM 1405 CA THR A 96 15.478 1.555 -5.520 1.00 0.00 C ATOM 1406 C THR A 96 14.894 2.907 -5.925 1.00 0.00 C ATOM 1407 O THR A 96 15.337 3.942 -5.467 1.00 0.00 O ATOM 1408 CB THR A 96 16.153 0.890 -6.727 1.00 0.00 C ATOM 1409 OG1 THR A 96 16.201 -0.515 -6.520 1.00 0.00 O ATOM 1410 CG2 THR A 96 17.574 1.427 -6.885 1.00 0.00 C ATOM 0 H THR A 96 14.227 -0.160 -5.600 1.00 0.00 H new ATOM 0 HA THR A 96 16.216 1.701 -4.731 1.00 0.00 H new ATOM 0 HB THR A 96 15.582 1.112 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.630 -0.945 -7.289 1.00 0.00 H new ATOM 0 HG21 THR A 96 18.049 0.952 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 96 17.540 2.505 -7.040 1.00 0.00 H new ATOM 0 HG23 THR A 96 18.148 1.207 -5.985 1.00 0.00 H new ATOM 1418 N THR A 97 13.883 2.917 -6.758 1.00 0.00 N ATOM 1419 CA THR A 97 13.270 4.206 -7.149 1.00 0.00 C ATOM 1420 C THR A 97 12.185 4.524 -6.142 1.00 0.00 C ATOM 1421 O THR A 97 12.427 5.085 -5.092 1.00 0.00 O ATOM 1422 CB THR A 97 12.642 4.074 -8.539 1.00 0.00 C ATOM 1423 OG1 THR A 97 11.585 5.015 -8.667 1.00 0.00 O ATOM 1424 CG2 THR A 97 12.090 2.656 -8.749 1.00 0.00 C ATOM 0 H THR A 97 13.463 2.088 -7.178 1.00 0.00 H new ATOM 0 HA THR A 97 14.022 4.995 -7.172 1.00 0.00 H new ATOM 0 HB THR A 97 13.407 4.267 -9.291 1.00 0.00 H new ATOM 0 HG1 THR A 97 11.181 4.935 -9.556 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.648 2.581 -9.742 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.900 1.933 -8.657 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.330 2.446 -7.997 1.00 0.00 H new ATOM 1432 N GLY A 98 10.987 4.146 -6.462 1.00 0.00 N ATOM 1433 CA GLY A 98 9.846 4.395 -5.542 1.00 0.00 C ATOM 1434 C GLY A 98 9.746 5.898 -5.265 1.00 0.00 C ATOM 1435 O GLY A 98 10.623 6.484 -4.665 1.00 0.00 O ATOM 0 H GLY A 98 10.744 3.670 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.919 4.032 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.989 3.849 -4.609 1.00 0.00 H new