USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 769 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 MET CE :methyl -163:sc= -2.48 (180deg=-0.28) USER MOD Set 1.2: A 125 GLN : amide:sc= -5.58 K(o=-8.1,f=-8.7!) USER MOD Set 2.1: A 121 THR OG1 : rot -160:sc= 0 USER MOD Set 2.2: A 123 GLN : amide:sc= -2.05! X(o=-2!,f=-2.3) USER MOD Set 3.1: A 86 HIS : no HE2:sc= -5.81 K(o=-12,f=-15!) USER MOD Set 3.2: A 110 MET CE :methyl -169:sc= -5.85! (180deg=-3.83!) USER MOD Set 4.1: A 70 THR OG1 : rot -79:sc= 0.898 USER MOD Set 4.2: A 109 THR OG1 : rot -112:sc= 1.34! USER MOD Set 5.1: A 74 LYS NZ :NH3+ -129:sc= -0.948! (180deg=-2.16!) USER MOD Set 5.2: A 111 SER OG : rot 180:sc= -0.852 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 89:sc= -2.63! USER MOD Single : A 26 SER OG : rot 42:sc= 0.413 USER MOD Single : A 34 THR OG1 : rot 116:sc= -5.58! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 36 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.92) USER MOD Single : A 37 ASN : amide:sc= 0.0647 X(o=0.065,f=0) USER MOD Single : A 57 GLN : amide:sc= -1.24! C(o=-1.2!,f=-1.9!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -103:sc= -1.85 USER MOD Single : A 62 MET CE :methyl -170:sc= -4.34 (180deg=-5.1!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 47:sc= 1.27 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.24 USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0792) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 88 ASN : amide:sc= -3.58! C(o=-3.6!,f=-16!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc=0.000269 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 75:sc= -0.462 USER MOD ----------------------------------------------------------------- ATOM 318 N ASP A 21 -4.416 -13.407 -8.209 1.00 0.00 N ATOM 319 CA ASP A 21 -4.295 -14.451 -7.200 1.00 0.00 C ATOM 320 C ASP A 21 -3.378 -14.001 -6.065 1.00 0.00 C ATOM 321 O ASP A 21 -2.200 -13.716 -6.280 1.00 0.00 O ATOM 322 CB ASP A 21 -3.764 -15.740 -7.830 1.00 0.00 C ATOM 323 CG ASP A 21 -4.836 -16.804 -7.956 1.00 0.00 C ATOM 324 OD1 ASP A 21 -5.068 -17.533 -6.968 1.00 0.00 O ATOM 325 OD2 ASP A 21 -5.442 -16.912 -9.042 1.00 0.00 O ATOM 0 HA ASP A 21 -5.285 -14.644 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.358 -15.519 -8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.942 -16.125 -7.226 1.00 0.00 H new ATOM 330 N ARG A 22 -3.932 -13.935 -4.857 1.00 0.00 N ATOM 331 CA ARG A 22 -3.180 -13.514 -3.676 1.00 0.00 C ATOM 332 C ARG A 22 -1.795 -14.163 -3.618 1.00 0.00 C ATOM 333 O ARG A 22 -0.860 -13.594 -3.050 1.00 0.00 O ATOM 334 CB ARG A 22 -3.967 -13.852 -2.407 1.00 0.00 C ATOM 335 CG ARG A 22 -4.484 -12.628 -1.669 1.00 0.00 C ATOM 336 CD ARG A 22 -5.871 -12.230 -2.148 1.00 0.00 C ATOM 337 NE ARG A 22 -6.864 -13.264 -1.868 1.00 0.00 N ATOM 338 CZ ARG A 22 -8.177 -13.039 -1.815 1.00 0.00 C ATOM 339 NH1 ARG A 22 -8.657 -11.820 -2.024 1.00 0.00 N ATOM 340 NH2 ARG A 22 -9.010 -14.038 -1.554 1.00 0.00 N ATOM 0 H ARG A 22 -4.907 -14.170 -4.669 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.037 -12.436 -3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.810 -14.490 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.329 -14.428 -1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.513 -12.833 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.795 -11.796 -1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.169 -11.300 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.842 -12.036 -3.220 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.533 -14.215 -1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.021 -11.049 -2.227 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.662 -11.654 -1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.646 -14.977 -1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.015 -13.867 -1.513 1.00 0.00 H new ATOM 354 N GLU A 23 -1.667 -15.356 -4.192 1.00 0.00 N ATOM 355 CA GLU A 23 -0.393 -16.074 -4.186 1.00 0.00 C ATOM 356 C GLU A 23 0.361 -15.894 -5.503 1.00 0.00 C ATOM 357 O GLU A 23 1.524 -15.493 -5.513 1.00 0.00 O ATOM 358 CB GLU A 23 -0.627 -17.561 -3.914 1.00 0.00 C ATOM 359 CG GLU A 23 0.245 -18.119 -2.801 1.00 0.00 C ATOM 360 CD GLU A 23 -0.296 -17.796 -1.422 1.00 0.00 C ATOM 361 OE1 GLU A 23 -0.169 -16.630 -0.992 1.00 0.00 O ATOM 362 OE2 GLU A 23 -0.845 -18.710 -0.771 1.00 0.00 O ATOM 0 H GLU A 23 -2.426 -15.846 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 23 0.221 -15.654 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.675 -17.714 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.439 -18.123 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.323 -19.200 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.253 -17.715 -2.896 1.00 0.00 H new ATOM 369 N LYS A 24 -0.306 -16.201 -6.613 1.00 0.00 N ATOM 370 CA LYS A 24 0.307 -16.080 -7.936 1.00 0.00 C ATOM 371 C LYS A 24 0.112 -14.681 -8.516 1.00 0.00 C ATOM 372 O LYS A 24 0.043 -14.508 -9.733 1.00 0.00 O ATOM 373 CB LYS A 24 -0.285 -17.122 -8.887 1.00 0.00 C ATOM 374 CG LYS A 24 0.443 -18.456 -8.859 1.00 0.00 C ATOM 375 CD LYS A 24 -0.220 -19.472 -9.775 1.00 0.00 C ATOM 376 CE LYS A 24 0.477 -19.544 -11.125 1.00 0.00 C ATOM 377 NZ LYS A 24 -0.225 -18.730 -12.156 1.00 0.00 N ATOM 0 H LYS A 24 -1.270 -16.535 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 24 1.377 -16.255 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.332 -17.284 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.264 -16.728 -9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.480 -18.312 -9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.460 -18.841 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.203 -20.454 -9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.267 -19.205 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.504 -19.193 -11.023 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.526 -20.582 -11.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.281 -18.805 -13.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.197 -19.081 -12.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.250 -17.735 -11.855 1.00 0.00 H new ATOM 391 N THR A 25 0.019 -13.686 -7.641 1.00 0.00 N ATOM 392 CA THR A 25 -0.171 -12.302 -8.065 1.00 0.00 C ATOM 393 C THR A 25 1.120 -11.704 -8.617 1.00 0.00 C ATOM 394 O THR A 25 2.216 -12.188 -8.328 1.00 0.00 O ATOM 395 CB THR A 25 -0.666 -11.455 -6.890 1.00 0.00 C ATOM 396 OG1 THR A 25 -0.503 -10.075 -7.164 1.00 0.00 O ATOM 397 CG2 THR A 25 0.055 -11.758 -5.592 1.00 0.00 C ATOM 0 H THR A 25 0.072 -13.812 -6.630 1.00 0.00 H new ATOM 0 HA THR A 25 -0.916 -12.299 -8.860 1.00 0.00 H new ATOM 0 HB THR A 25 -1.719 -11.710 -6.770 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.303 -9.735 -7.617 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.342 -11.125 -4.799 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.094 -12.805 -5.329 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.120 -11.562 -5.713 1.00 0.00 H new ATOM 405 N SER A 26 0.979 -10.641 -9.403 1.00 0.00 N ATOM 406 CA SER A 26 2.128 -9.958 -9.991 1.00 0.00 C ATOM 407 C SER A 26 2.373 -8.622 -9.287 1.00 0.00 C ATOM 408 O SER A 26 1.502 -7.752 -9.282 1.00 0.00 O ATOM 409 CB SER A 26 1.899 -9.727 -11.486 1.00 0.00 C ATOM 410 OG SER A 26 0.718 -8.978 -11.712 1.00 0.00 O ATOM 0 H SER A 26 0.077 -10.232 -9.649 1.00 0.00 H new ATOM 0 HA SER A 26 3.008 -10.589 -9.861 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.754 -9.201 -11.911 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.828 -10.686 -11.999 1.00 0.00 H new ATOM 0 HG SER A 26 0.661 -8.251 -11.057 1.00 0.00 H new ATOM 416 N PRO A 27 3.559 -8.435 -8.678 1.00 0.00 N ATOM 417 CA PRO A 27 3.892 -7.193 -7.967 1.00 0.00 C ATOM 418 C PRO A 27 3.942 -5.982 -8.898 1.00 0.00 C ATOM 419 O PRO A 27 4.249 -6.107 -10.083 1.00 0.00 O ATOM 420 CB PRO A 27 5.279 -7.468 -7.369 1.00 0.00 C ATOM 421 CG PRO A 27 5.457 -8.948 -7.436 1.00 0.00 C ATOM 422 CD PRO A 27 4.659 -9.411 -8.620 1.00 0.00 C ATOM 0 HA PRO A 27 3.138 -6.946 -7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.058 -6.953 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.340 -7.112 -6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.509 -9.209 -7.549 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.107 -9.424 -6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.253 -9.405 -9.534 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.290 -10.428 -8.486 1.00 0.00 H new ATOM 430 N LEU A 28 3.637 -4.810 -8.345 1.00 0.00 N ATOM 431 CA LEU A 28 3.642 -3.567 -9.112 1.00 0.00 C ATOM 432 C LEU A 28 4.225 -2.424 -8.290 1.00 0.00 C ATOM 433 O LEU A 28 4.092 -2.399 -7.065 1.00 0.00 O ATOM 434 CB LEU A 28 2.223 -3.206 -9.552 1.00 0.00 C ATOM 435 CG LEU A 28 1.251 -2.907 -8.410 1.00 0.00 C ATOM 436 CD1 LEU A 28 1.299 -1.434 -8.028 1.00 0.00 C ATOM 437 CD2 LEU A 28 -0.159 -3.316 -8.795 1.00 0.00 C ATOM 0 H LEU A 28 3.382 -4.695 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 28 4.265 -3.720 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.271 -2.335 -10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.822 -4.028 -10.145 1.00 0.00 H new ATOM 0 HG LEU A 28 1.555 -3.490 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.599 -1.246 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.308 -1.174 -7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.025 -0.826 -8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.839 -3.097 -7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.470 -2.761 -9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.182 -4.384 -9.010 1.00 0.00 H new ATOM 449 N LEU A 29 4.865 -1.477 -8.968 1.00 0.00 N ATOM 450 CA LEU A 29 5.463 -0.329 -8.295 1.00 0.00 C ATOM 451 C LEU A 29 4.385 0.604 -7.750 1.00 0.00 C ATOM 452 O LEU A 29 3.563 1.128 -8.502 1.00 0.00 O ATOM 453 CB LEU A 29 6.383 0.431 -9.256 1.00 0.00 C ATOM 454 CG LEU A 29 6.854 1.807 -8.768 1.00 0.00 C ATOM 455 CD1 LEU A 29 7.197 1.767 -7.285 1.00 0.00 C ATOM 456 CD2 LEU A 29 8.050 2.280 -9.585 1.00 0.00 C ATOM 0 H LEU A 29 4.983 -1.481 -9.981 1.00 0.00 H new ATOM 0 HA LEU A 29 6.054 -0.696 -7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.260 -0.185 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.862 0.560 -10.205 1.00 0.00 H new ATOM 0 HG LEU A 29 6.039 2.517 -8.907 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.528 2.754 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.315 1.476 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.994 1.043 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.372 3.258 -9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.868 1.567 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.767 2.354 -10.635 1.00 0.00 H new ATOM 468 N LEU A 30 4.399 0.808 -6.436 1.00 0.00 N ATOM 469 CA LEU A 30 3.426 1.677 -5.786 1.00 0.00 C ATOM 470 C LEU A 30 4.131 2.633 -4.817 1.00 0.00 C ATOM 471 O LEU A 30 4.966 2.216 -4.015 1.00 0.00 O ATOM 472 CB LEU A 30 2.367 0.818 -5.075 1.00 0.00 C ATOM 473 CG LEU A 30 1.930 1.290 -3.688 1.00 0.00 C ATOM 474 CD1 LEU A 30 1.321 2.679 -3.767 1.00 0.00 C ATOM 475 CD2 LEU A 30 0.942 0.306 -3.075 1.00 0.00 C ATOM 0 H LEU A 30 5.074 0.383 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 30 2.920 2.289 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.484 0.767 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.754 -0.197 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 30 2.810 1.336 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.015 2.999 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.058 3.378 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.452 2.658 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.642 0.659 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.063 0.227 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.413 -0.673 -2.983 1.00 0.00 H new ATOM 487 N ARG A 31 3.803 3.924 -4.915 1.00 0.00 N ATOM 488 CA ARG A 31 4.418 4.945 -4.065 1.00 0.00 C ATOM 489 C ARG A 31 3.767 5.007 -2.683 1.00 0.00 C ATOM 490 O ARG A 31 2.546 5.135 -2.558 1.00 0.00 O ATOM 491 CB ARG A 31 4.331 6.314 -4.744 1.00 0.00 C ATOM 492 CG ARG A 31 5.636 7.096 -4.702 1.00 0.00 C ATOM 493 CD ARG A 31 6.005 7.646 -6.070 1.00 0.00 C ATOM 494 NE ARG A 31 5.486 8.998 -6.273 1.00 0.00 N ATOM 495 CZ ARG A 31 6.131 9.955 -6.939 1.00 0.00 C ATOM 496 NH1 ARG A 31 7.318 9.717 -7.483 1.00 0.00 N ATOM 497 NH2 ARG A 31 5.584 11.156 -7.064 1.00 0.00 N ATOM 0 H ARG A 31 3.115 4.286 -5.575 1.00 0.00 H new ATOM 0 HA ARG A 31 5.463 4.670 -3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.032 6.177 -5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.549 6.901 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.545 7.918 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.436 6.450 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.090 7.654 -6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.613 6.987 -6.844 1.00 0.00 H new ATOM 0 HE ARG A 31 4.572 9.223 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.744 8.795 -7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.804 10.456 -7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.671 11.346 -6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.076 11.890 -7.573 1.00 0.00 H new ATOM 511 N VAL A 32 4.598 4.921 -1.647 1.00 0.00 N ATOM 512 CA VAL A 32 4.117 4.964 -0.269 1.00 0.00 C ATOM 513 C VAL A 32 4.834 6.036 0.541 1.00 0.00 C ATOM 514 O VAL A 32 6.026 6.262 0.363 1.00 0.00 O ATOM 515 CB VAL A 32 4.314 3.612 0.441 1.00 0.00 C ATOM 516 CG1 VAL A 32 3.192 2.654 0.087 1.00 0.00 C ATOM 517 CG2 VAL A 32 5.668 3.014 0.092 1.00 0.00 C ATOM 0 H VAL A 32 5.609 4.821 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 32 3.054 5.197 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 32 4.287 3.783 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.349 1.704 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.238 3.080 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.181 2.488 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.787 2.059 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.730 2.858 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.459 3.695 0.407 1.00 0.00 H new ATOM 527 N PHE A 33 4.103 6.675 1.445 1.00 0.00 N ATOM 528 CA PHE A 33 4.675 7.708 2.301 1.00 0.00 C ATOM 529 C PHE A 33 4.638 7.260 3.755 1.00 0.00 C ATOM 530 O PHE A 33 3.595 7.314 4.406 1.00 0.00 O ATOM 531 CB PHE A 33 3.910 9.021 2.128 1.00 0.00 C ATOM 532 CG PHE A 33 3.821 9.466 0.700 1.00 0.00 C ATOM 533 CD1 PHE A 33 3.052 8.759 -0.211 1.00 0.00 C ATOM 534 CD2 PHE A 33 4.511 10.586 0.264 1.00 0.00 C ATOM 535 CE1 PHE A 33 2.970 9.162 -1.528 1.00 0.00 C ATOM 536 CE2 PHE A 33 4.433 10.994 -1.055 1.00 0.00 C ATOM 537 CZ PHE A 33 3.662 10.281 -1.952 1.00 0.00 C ATOM 0 H PHE A 33 3.112 6.496 1.605 1.00 0.00 H new ATOM 0 HA PHE A 33 5.713 7.871 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.903 8.904 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.398 9.799 2.715 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.511 7.883 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.116 11.146 0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.365 8.603 -2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.974 11.869 -1.383 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.600 10.597 -2.983 1.00 0.00 H new ATOM 547 N THR A 34 5.779 6.794 4.253 1.00 0.00 N ATOM 548 CA THR A 34 5.869 6.311 5.624 1.00 0.00 C ATOM 549 C THR A 34 6.553 7.319 6.539 1.00 0.00 C ATOM 550 O THR A 34 7.706 7.692 6.326 1.00 0.00 O ATOM 551 CB THR A 34 6.615 4.978 5.668 1.00 0.00 C ATOM 552 OG1 THR A 34 7.694 4.977 4.753 1.00 0.00 O ATOM 553 CG2 THR A 34 5.737 3.790 5.342 1.00 0.00 C ATOM 0 H THR A 34 6.652 6.741 3.728 1.00 0.00 H new ATOM 0 HA THR A 34 4.851 6.170 5.987 1.00 0.00 H new ATOM 0 HB THR A 34 6.967 4.879 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.539 4.894 5.243 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.329 2.876 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.920 3.733 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.328 3.904 4.338 1.00 0.00 H new ATOM 561 N THR A 35 5.832 7.732 7.575 1.00 0.00 N ATOM 562 CA THR A 35 6.356 8.677 8.557 1.00 0.00 C ATOM 563 C THR A 35 6.693 7.934 9.847 1.00 0.00 C ATOM 564 O THR A 35 6.244 6.807 10.036 1.00 0.00 O ATOM 565 CB THR A 35 5.333 9.783 8.839 1.00 0.00 C ATOM 566 OG1 THR A 35 5.583 10.387 10.100 1.00 0.00 O ATOM 567 CG2 THR A 35 3.898 9.291 8.833 1.00 0.00 C ATOM 0 H THR A 35 4.877 7.425 7.758 1.00 0.00 H new ATOM 0 HA THR A 35 7.259 9.139 8.157 1.00 0.00 H new ATOM 0 HB THR A 35 5.452 10.502 8.028 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.921 11.092 10.262 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.227 10.125 9.039 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.662 8.868 7.856 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.772 8.526 9.599 1.00 0.00 H new ATOM 575 N ASN A 36 7.473 8.559 10.727 1.00 0.00 N ATOM 576 CA ASN A 36 7.847 7.922 11.983 1.00 0.00 C ATOM 577 C ASN A 36 7.085 8.532 13.156 1.00 0.00 C ATOM 578 O ASN A 36 7.532 8.461 14.300 1.00 0.00 O ATOM 579 CB ASN A 36 9.354 8.050 12.211 1.00 0.00 C ATOM 580 CG ASN A 36 9.819 7.306 13.446 1.00 0.00 C ATOM 581 OD1 ASN A 36 10.559 7.848 14.268 1.00 0.00 O ATOM 582 ND2 ASN A 36 9.388 6.058 13.585 1.00 0.00 N ATOM 0 H ASN A 36 7.854 9.496 10.594 1.00 0.00 H new ATOM 0 HA ASN A 36 7.584 6.866 11.919 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.884 7.667 11.339 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.616 9.104 12.306 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.669 5.509 14.397 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.776 5.648 12.879 1.00 0.00 H new ATOM 589 N ASN A 37 5.931 9.127 12.870 1.00 0.00 N ATOM 590 CA ASN A 37 5.113 9.742 13.910 1.00 0.00 C ATOM 591 C ASN A 37 3.666 9.253 13.845 1.00 0.00 C ATOM 592 O ASN A 37 2.843 9.615 14.685 1.00 0.00 O ATOM 593 CB ASN A 37 5.155 11.266 13.785 1.00 0.00 C ATOM 594 CG ASN A 37 5.297 11.952 15.129 1.00 0.00 C ATOM 595 OD1 ASN A 37 6.384 12.392 15.502 1.00 0.00 O ATOM 596 ND2 ASN A 37 4.196 12.046 15.865 1.00 0.00 N ATOM 0 H ASN A 37 5.542 9.196 11.930 1.00 0.00 H new ATOM 0 HA ASN A 37 5.526 9.448 14.875 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.989 11.552 13.144 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.244 11.613 13.297 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.231 12.497 16.779 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.316 11.667 15.516 1.00 0.00 H new ATOM 603 N GLY A 38 3.357 8.428 12.847 1.00 0.00 N ATOM 604 CA GLY A 38 2.008 7.907 12.703 1.00 0.00 C ATOM 605 C GLY A 38 0.956 8.997 12.745 1.00 0.00 C ATOM 606 O GLY A 38 0.055 8.964 13.581 1.00 0.00 O ATOM 0 H GLY A 38 4.016 8.111 12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.930 7.367 11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.813 7.188 13.499 1.00 0.00 H new ATOM 610 N ARG A 39 1.074 9.969 11.847 1.00 0.00 N ATOM 611 CA ARG A 39 0.126 11.076 11.803 1.00 0.00 C ATOM 612 C ARG A 39 -0.011 11.643 10.391 1.00 0.00 C ATOM 613 O ARG A 39 0.813 12.444 9.951 1.00 0.00 O ATOM 614 CB ARG A 39 0.566 12.178 12.771 1.00 0.00 C ATOM 615 CG ARG A 39 -0.543 12.655 13.695 1.00 0.00 C ATOM 616 CD ARG A 39 -0.259 12.287 15.143 1.00 0.00 C ATOM 617 NE ARG A 39 -0.924 11.047 15.537 1.00 0.00 N ATOM 618 CZ ARG A 39 -2.186 10.983 15.960 1.00 0.00 C ATOM 619 NH1 ARG A 39 -2.925 12.082 16.042 1.00 0.00 N ATOM 620 NH2 ARG A 39 -2.710 9.814 16.301 1.00 0.00 N ATOM 0 H ARG A 39 1.812 10.013 11.144 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.850 10.694 12.104 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.397 11.810 13.374 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.939 13.026 12.197 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.651 13.736 13.608 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.491 12.214 13.386 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.817 12.182 15.285 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.589 13.097 15.794 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.391 10.179 15.485 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.528 12.984 15.780 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.890 12.024 16.367 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.147 8.965 16.239 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.676 9.763 16.625 1.00 0.00 H new ATOM 864 N GLU A 55 8.723 9.298 0.913 1.00 0.00 N ATOM 865 CA GLU A 55 8.088 8.253 0.116 1.00 0.00 C ATOM 866 C GLU A 55 9.077 7.179 -0.323 1.00 0.00 C ATOM 867 O GLU A 55 10.239 7.461 -0.617 1.00 0.00 O ATOM 868 CB GLU A 55 7.400 8.853 -1.112 1.00 0.00 C ATOM 869 CG GLU A 55 8.311 9.720 -1.967 1.00 0.00 C ATOM 870 CD GLU A 55 7.655 11.021 -2.386 1.00 0.00 C ATOM 871 OE1 GLU A 55 7.010 11.042 -3.455 1.00 0.00 O ATOM 872 OE2 GLU A 55 7.785 12.018 -1.644 1.00 0.00 O ATOM 0 HA GLU A 55 7.343 7.779 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.004 8.044 -1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.549 9.450 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.223 9.940 -1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.606 9.163 -2.857 1.00 0.00 H new ATOM 879 N LEU A 56 8.587 5.944 -0.376 1.00 0.00 N ATOM 880 CA LEU A 56 9.389 4.799 -0.788 1.00 0.00 C ATOM 881 C LEU A 56 8.677 4.020 -1.889 1.00 0.00 C ATOM 882 O LEU A 56 7.588 4.399 -2.325 1.00 0.00 O ATOM 883 CB LEU A 56 9.673 3.866 0.400 1.00 0.00 C ATOM 884 CG LEU A 56 8.764 4.041 1.625 1.00 0.00 C ATOM 885 CD1 LEU A 56 8.092 2.724 1.984 1.00 0.00 C ATOM 886 CD2 LEU A 56 9.557 4.577 2.810 1.00 0.00 C ATOM 0 H LEU A 56 7.624 5.710 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 56 10.338 5.178 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.590 2.835 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.706 4.015 0.715 1.00 0.00 H new ATOM 0 HG LEU A 56 7.989 4.766 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.452 2.868 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.489 2.382 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.853 1.978 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.895 4.694 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.355 3.878 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.990 5.543 2.551 1.00 0.00 H new ATOM 898 N GLN A 57 9.290 2.928 -2.329 1.00 0.00 N ATOM 899 CA GLN A 57 8.707 2.094 -3.374 1.00 0.00 C ATOM 900 C GLN A 57 8.445 0.684 -2.855 1.00 0.00 C ATOM 901 O GLN A 57 9.260 0.119 -2.128 1.00 0.00 O ATOM 902 CB GLN A 57 9.630 2.040 -4.592 1.00 0.00 C ATOM 903 CG GLN A 57 10.182 3.397 -5.000 1.00 0.00 C ATOM 904 CD GLN A 57 9.227 4.174 -5.884 1.00 0.00 C ATOM 905 OE1 GLN A 57 9.437 4.293 -7.092 1.00 0.00 O ATOM 906 NE2 GLN A 57 8.170 4.710 -5.288 1.00 0.00 N ATOM 0 H GLN A 57 10.190 2.599 -1.979 1.00 0.00 H new ATOM 0 HA GLN A 57 7.757 2.537 -3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.462 1.369 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.084 1.612 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.399 3.981 -4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.126 3.257 -5.526 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.034 4.587 -4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.494 5.245 -5.833 1.00 0.00 H new ATOM 915 N ILE A 58 7.302 0.124 -3.234 1.00 0.00 N ATOM 916 CA ILE A 58 6.929 -1.221 -2.807 1.00 0.00 C ATOM 917 C ILE A 58 6.260 -1.987 -3.935 1.00 0.00 C ATOM 918 O ILE A 58 5.209 -1.581 -4.435 1.00 0.00 O ATOM 919 CB ILE A 58 5.962 -1.203 -1.606 1.00 0.00 C ATOM 920 CG1 ILE A 58 5.068 0.037 -1.634 1.00 0.00 C ATOM 921 CG2 ILE A 58 6.732 -1.279 -0.306 1.00 0.00 C ATOM 922 CD1 ILE A 58 3.643 -0.247 -1.214 1.00 0.00 C ATOM 0 H ILE A 58 6.617 0.580 -3.836 1.00 0.00 H new ATOM 0 HA ILE A 58 7.857 -1.711 -2.514 1.00 0.00 H new ATOM 0 HB ILE A 58 5.317 -2.079 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.490 0.796 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.067 0.454 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.034 -1.265 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.312 -2.202 -0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.405 -0.425 -0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.061 0.674 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.205 -0.984 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.634 -0.636 -0.196 1.00 0.00 H new ATOM 934 N TYR A 59 6.852 -3.110 -4.320 1.00 0.00 N ATOM 935 CA TYR A 59 6.275 -3.932 -5.367 1.00 0.00 C ATOM 936 C TYR A 59 5.191 -4.811 -4.761 1.00 0.00 C ATOM 937 O TYR A 59 5.419 -5.983 -4.458 1.00 0.00 O ATOM 938 CB TYR A 59 7.350 -4.787 -6.040 1.00 0.00 C ATOM 939 CG TYR A 59 7.915 -4.164 -7.298 1.00 0.00 C ATOM 940 CD1 TYR A 59 8.921 -3.207 -7.232 1.00 0.00 C ATOM 941 CD2 TYR A 59 7.442 -4.530 -8.552 1.00 0.00 C ATOM 942 CE1 TYR A 59 9.439 -2.634 -8.379 1.00 0.00 C ATOM 943 CE2 TYR A 59 7.955 -3.963 -9.702 1.00 0.00 C ATOM 944 CZ TYR A 59 8.952 -3.015 -9.611 1.00 0.00 C ATOM 945 OH TYR A 59 9.467 -2.447 -10.755 1.00 0.00 O ATOM 0 H TYR A 59 7.722 -3.467 -3.926 1.00 0.00 H new ATOM 0 HA TYR A 59 5.838 -3.290 -6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.162 -4.959 -5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.928 -5.762 -6.284 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.305 -2.906 -6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.660 -5.271 -8.629 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.221 -1.892 -8.310 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.577 -4.261 -10.669 1.00 0.00 H new ATOM 0 HH TYR A 59 9.017 -2.825 -11.539 1.00 0.00 H new ATOM 955 N THR A 60 4.015 -4.226 -4.569 1.00 0.00 N ATOM 956 CA THR A 60 2.890 -4.937 -3.979 1.00 0.00 C ATOM 957 C THR A 60 1.847 -5.280 -5.042 1.00 0.00 C ATOM 958 O THR A 60 2.051 -5.018 -6.224 1.00 0.00 O ATOM 959 CB THR A 60 2.257 -4.098 -2.865 1.00 0.00 C ATOM 960 OG1 THR A 60 1.336 -4.873 -2.114 1.00 0.00 O ATOM 961 CG2 THR A 60 1.517 -2.878 -3.373 1.00 0.00 C ATOM 0 H THR A 60 3.816 -3.256 -4.815 1.00 0.00 H new ATOM 0 HA THR A 60 3.261 -5.868 -3.551 1.00 0.00 H new ATOM 0 HB THR A 60 3.093 -3.765 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.421 -4.642 -2.379 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.095 -2.331 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.208 -2.232 -3.914 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.715 -3.191 -4.041 1.00 0.00 H new ATOM 969 N TRP A 61 0.738 -5.875 -4.621 1.00 0.00 N ATOM 970 CA TRP A 61 -0.312 -6.247 -5.568 1.00 0.00 C ATOM 971 C TRP A 61 -1.698 -5.802 -5.121 1.00 0.00 C ATOM 972 O TRP A 61 -2.164 -6.141 -4.036 1.00 0.00 O ATOM 973 CB TRP A 61 -0.298 -7.748 -5.840 1.00 0.00 C ATOM 974 CG TRP A 61 -0.356 -8.593 -4.608 1.00 0.00 C ATOM 975 CD1 TRP A 61 -1.433 -9.298 -4.150 1.00 0.00 C ATOM 976 CD2 TRP A 61 0.710 -8.840 -3.684 1.00 0.00 C ATOM 977 NE1 TRP A 61 -1.101 -9.970 -3.001 1.00 0.00 N ATOM 978 CE2 TRP A 61 0.208 -9.704 -2.692 1.00 0.00 C ATOM 979 CE3 TRP A 61 2.038 -8.416 -3.600 1.00 0.00 C ATOM 980 CZ2 TRP A 61 0.989 -10.151 -1.632 1.00 0.00 C ATOM 981 CZ3 TRP A 61 2.813 -8.860 -2.544 1.00 0.00 C ATOM 982 CH2 TRP A 61 2.287 -9.722 -1.573 1.00 0.00 C ATOM 0 H TRP A 61 0.541 -6.108 -3.648 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.090 -5.716 -6.494 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.145 -7.998 -6.479 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.606 -7.997 -6.396 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.404 -9.323 -4.623 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.727 -10.570 -2.464 1.00 0.00 H new ATOM 0 HE3 TRP A 61 2.452 -7.754 -4.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.585 -10.814 -0.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 3.841 -8.537 -2.467 1.00 0.00 H new ATOM 0 HH2 TRP A 61 2.918 -10.054 -0.762 1.00 0.00 H new ATOM 993 N MET A 62 -2.337 -5.028 -5.993 1.00 0.00 N ATOM 994 CA MET A 62 -3.684 -4.488 -5.760 1.00 0.00 C ATOM 995 C MET A 62 -4.549 -5.412 -4.896 1.00 0.00 C ATOM 996 O MET A 62 -5.292 -4.943 -4.032 1.00 0.00 O ATOM 997 CB MET A 62 -4.389 -4.243 -7.098 1.00 0.00 C ATOM 998 CG MET A 62 -3.573 -3.420 -8.083 1.00 0.00 C ATOM 999 SD MET A 62 -3.089 -1.817 -7.413 1.00 0.00 S ATOM 1000 CE MET A 62 -4.618 -1.304 -6.642 1.00 0.00 C ATOM 0 H MET A 62 -1.937 -4.752 -6.890 1.00 0.00 H new ATOM 0 HA MET A 62 -3.559 -3.550 -5.218 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.628 -5.204 -7.553 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.335 -3.735 -6.911 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.679 -3.977 -8.364 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.153 -3.269 -8.993 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.540 -0.260 -6.337 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.438 -1.414 -7.352 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.810 -1.924 -5.767 1.00 0.00 H new ATOM 1010 N ASP A 63 -4.461 -6.717 -5.137 1.00 0.00 N ATOM 1011 CA ASP A 63 -5.250 -7.691 -4.381 1.00 0.00 C ATOM 1012 C ASP A 63 -4.485 -8.224 -3.167 1.00 0.00 C ATOM 1013 O ASP A 63 -4.687 -9.365 -2.749 1.00 0.00 O ATOM 1014 CB ASP A 63 -5.658 -8.855 -5.287 1.00 0.00 C ATOM 1015 CG ASP A 63 -6.904 -9.565 -4.793 1.00 0.00 C ATOM 1016 OD1 ASP A 63 -6.904 -10.025 -3.632 1.00 0.00 O ATOM 1017 OD2 ASP A 63 -7.879 -9.660 -5.567 1.00 0.00 O ATOM 0 H ASP A 63 -3.854 -7.126 -5.847 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.141 -7.179 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.832 -8.482 -6.296 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.837 -9.569 -5.348 1.00 0.00 H new ATOM 1022 N ALA A 64 -3.608 -7.397 -2.605 1.00 0.00 N ATOM 1023 CA ALA A 64 -2.818 -7.791 -1.442 1.00 0.00 C ATOM 1024 C ALA A 64 -3.516 -7.410 -0.143 1.00 0.00 C ATOM 1025 O ALA A 64 -4.138 -6.352 -0.048 1.00 0.00 O ATOM 1026 CB ALA A 64 -1.439 -7.148 -1.500 1.00 0.00 C ATOM 0 H ALA A 64 -3.426 -6.449 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.710 -8.875 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.860 -7.450 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.925 -7.470 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.544 -6.063 -1.509 1.00 0.00 H new ATOM 1032 N THR A 65 -3.399 -8.270 0.865 1.00 0.00 N ATOM 1033 CA THR A 65 -4.012 -8.006 2.161 1.00 0.00 C ATOM 1034 C THR A 65 -3.162 -7.019 2.953 1.00 0.00 C ATOM 1035 O THR A 65 -1.948 -6.941 2.764 1.00 0.00 O ATOM 1036 CB THR A 65 -4.191 -9.306 2.953 1.00 0.00 C ATOM 1037 OG1 THR A 65 -3.441 -10.358 2.372 1.00 0.00 O ATOM 1038 CG2 THR A 65 -5.632 -9.759 3.036 1.00 0.00 C ATOM 0 H THR A 65 -2.888 -9.151 0.809 1.00 0.00 H new ATOM 0 HA THR A 65 -4.997 -7.570 1.993 1.00 0.00 H new ATOM 0 HB THR A 65 -3.837 -9.082 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.568 -11.178 2.894 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.690 -10.684 3.609 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.228 -8.990 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.018 -9.930 2.031 1.00 0.00 H new ATOM 1046 N LEU A 66 -3.807 -6.263 3.842 1.00 0.00 N ATOM 1047 CA LEU A 66 -3.113 -5.274 4.665 1.00 0.00 C ATOM 1048 C LEU A 66 -1.813 -5.846 5.227 1.00 0.00 C ATOM 1049 O LEU A 66 -0.824 -5.131 5.386 1.00 0.00 O ATOM 1050 CB LEU A 66 -4.022 -4.812 5.809 1.00 0.00 C ATOM 1051 CG LEU A 66 -4.841 -3.537 5.545 1.00 0.00 C ATOM 1052 CD1 LEU A 66 -4.142 -2.323 6.132 1.00 0.00 C ATOM 1053 CD2 LEU A 66 -5.090 -3.336 4.055 1.00 0.00 C ATOM 0 H LEU A 66 -4.812 -6.318 4.010 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.866 -4.419 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.713 -5.621 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.406 -4.648 6.693 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.808 -3.656 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.736 -1.431 5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.029 -2.453 7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.159 -2.212 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.671 -2.427 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.136 -3.248 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.641 -4.189 3.660 1.00 0.00 H new ATOM 1065 N LYS A 67 -1.826 -7.143 5.521 1.00 0.00 N ATOM 1066 CA LYS A 67 -0.651 -7.815 6.061 1.00 0.00 C ATOM 1067 C LYS A 67 0.524 -7.722 5.090 1.00 0.00 C ATOM 1068 O LYS A 67 1.601 -7.247 5.450 1.00 0.00 O ATOM 1069 CB LYS A 67 -0.967 -9.283 6.355 1.00 0.00 C ATOM 1070 CG LYS A 67 -0.090 -9.884 7.443 1.00 0.00 C ATOM 1071 CD LYS A 67 -0.217 -11.399 7.490 1.00 0.00 C ATOM 1072 CE LYS A 67 -0.628 -11.883 8.872 1.00 0.00 C ATOM 1073 NZ LYS A 67 0.533 -11.965 9.800 1.00 0.00 N ATOM 0 H LYS A 67 -2.637 -7.748 5.394 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.373 -7.316 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.012 -9.369 6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.847 -9.863 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.950 -9.611 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.369 -9.465 8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.953 -11.726 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.734 -11.853 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.376 -11.207 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.096 -12.864 8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.211 -12.299 10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.236 -12.630 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.965 -11.024 9.900 1.00 0.00 H new ATOM 1087 N GLU A 68 0.320 -8.177 3.854 1.00 0.00 N ATOM 1088 CA GLU A 68 1.370 -8.139 2.845 1.00 0.00 C ATOM 1089 C GLU A 68 2.015 -6.759 2.771 1.00 0.00 C ATOM 1090 O GLU A 68 3.233 -6.640 2.648 1.00 0.00 O ATOM 1091 CB GLU A 68 0.798 -8.529 1.484 1.00 0.00 C ATOM 1092 CG GLU A 68 0.202 -9.928 1.458 1.00 0.00 C ATOM 1093 CD GLU A 68 1.261 -11.013 1.468 1.00 0.00 C ATOM 1094 OE1 GLU A 68 2.378 -10.748 1.963 1.00 0.00 O ATOM 1095 OE2 GLU A 68 0.975 -12.126 0.982 1.00 0.00 O ATOM 0 H GLU A 68 -0.562 -8.575 3.531 1.00 0.00 H new ATOM 0 HA GLU A 68 2.142 -8.854 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.030 -7.809 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.587 -8.464 0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.452 -10.056 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.418 -10.038 0.568 1.00 0.00 H new ATOM 1102 N LEU A 69 1.193 -5.718 2.857 1.00 0.00 N ATOM 1103 CA LEU A 69 1.699 -4.352 2.809 1.00 0.00 C ATOM 1104 C LEU A 69 2.544 -4.054 4.045 1.00 0.00 C ATOM 1105 O LEU A 69 3.445 -3.218 4.006 1.00 0.00 O ATOM 1106 CB LEU A 69 0.546 -3.347 2.699 1.00 0.00 C ATOM 1107 CG LEU A 69 -0.403 -3.550 1.509 1.00 0.00 C ATOM 1108 CD1 LEU A 69 0.327 -4.146 0.314 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.578 -4.427 1.913 1.00 0.00 C ATOM 0 H LEU A 69 0.181 -5.793 2.960 1.00 0.00 H new ATOM 0 HA LEU A 69 2.326 -4.252 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.039 -3.391 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.968 -2.344 2.637 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.783 -2.573 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.373 -4.277 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.129 -3.475 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.748 -5.113 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.242 -4.562 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.210 -5.398 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.125 -3.950 2.726 1.00 0.00 H new ATOM 1121 N THR A 70 2.252 -4.755 5.140 1.00 0.00 N ATOM 1122 CA THR A 70 2.993 -4.576 6.385 1.00 0.00 C ATOM 1123 C THR A 70 4.444 -5.018 6.207 1.00 0.00 C ATOM 1124 O THR A 70 5.362 -4.423 6.774 1.00 0.00 O ATOM 1125 CB THR A 70 2.336 -5.373 7.516 1.00 0.00 C ATOM 1126 OG1 THR A 70 1.009 -4.926 7.738 1.00 0.00 O ATOM 1127 CG2 THR A 70 3.078 -5.272 8.831 1.00 0.00 C ATOM 0 H THR A 70 1.508 -5.451 5.189 1.00 0.00 H new ATOM 0 HA THR A 70 2.978 -3.518 6.647 1.00 0.00 H new ATOM 0 HB THR A 70 2.355 -6.412 7.186 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.026 -4.096 8.258 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.559 -5.860 9.588 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.091 -5.654 8.707 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.119 -4.229 9.146 1.00 0.00 H new ATOM 1135 N SER A 71 4.649 -6.061 5.402 1.00 0.00 N ATOM 1136 CA SER A 71 5.991 -6.568 5.145 1.00 0.00 C ATOM 1137 C SER A 71 6.705 -5.676 4.141 1.00 0.00 C ATOM 1138 O SER A 71 7.852 -5.280 4.346 1.00 0.00 O ATOM 1139 CB SER A 71 5.927 -8.003 4.619 1.00 0.00 C ATOM 1140 OG SER A 71 4.703 -8.248 3.951 1.00 0.00 O ATOM 0 H SER A 71 3.905 -6.567 4.921 1.00 0.00 H new ATOM 0 HA SER A 71 6.549 -6.564 6.081 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.759 -8.181 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.039 -8.702 5.448 1.00 0.00 H new ATOM 0 HG SER A 71 4.511 -7.507 3.339 1.00 0.00 H new ATOM 1146 N LEU A 72 6.004 -5.347 3.058 1.00 0.00 N ATOM 1147 CA LEU A 72 6.549 -4.484 2.020 1.00 0.00 C ATOM 1148 C LEU A 72 7.151 -3.224 2.640 1.00 0.00 C ATOM 1149 O LEU A 72 8.242 -2.791 2.268 1.00 0.00 O ATOM 1150 CB LEU A 72 5.450 -4.124 1.021 1.00 0.00 C ATOM 1151 CG LEU A 72 5.123 -5.223 0.006 1.00 0.00 C ATOM 1152 CD1 LEU A 72 3.633 -5.254 -0.290 1.00 0.00 C ATOM 1153 CD2 LEU A 72 5.919 -5.019 -1.274 1.00 0.00 C ATOM 0 H LEU A 72 5.053 -5.669 2.879 1.00 0.00 H new ATOM 0 HA LEU A 72 7.342 -5.014 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.543 -3.876 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.749 -3.226 0.480 1.00 0.00 H new ATOM 0 HG LEU A 72 5.405 -6.184 0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.422 -6.042 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.083 -5.450 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.323 -4.293 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.674 -5.809 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.669 -4.051 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.985 -5.051 -1.049 1.00 0.00 H new ATOM 1165 N VAL A 73 6.445 -2.652 3.608 1.00 0.00 N ATOM 1166 CA VAL A 73 6.932 -1.462 4.287 1.00 0.00 C ATOM 1167 C VAL A 73 8.219 -1.770 5.042 1.00 0.00 C ATOM 1168 O VAL A 73 9.159 -0.979 5.026 1.00 0.00 O ATOM 1169 CB VAL A 73 5.888 -0.901 5.271 1.00 0.00 C ATOM 1170 CG1 VAL A 73 6.394 0.381 5.917 1.00 0.00 C ATOM 1171 CG2 VAL A 73 4.565 -0.659 4.563 1.00 0.00 C ATOM 0 H VAL A 73 5.541 -2.991 3.937 1.00 0.00 H new ATOM 0 HA VAL A 73 7.124 -0.710 3.522 1.00 0.00 H new ATOM 0 HB VAL A 73 5.726 -1.638 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.642 0.761 6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.316 0.175 6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.587 1.126 5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.839 -0.263 5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.711 0.058 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.195 -1.598 4.152 1.00 0.00 H new ATOM 1181 N LYS A 74 8.253 -2.924 5.704 1.00 0.00 N ATOM 1182 CA LYS A 74 9.430 -3.333 6.469 1.00 0.00 C ATOM 1183 C LYS A 74 10.691 -3.341 5.608 1.00 0.00 C ATOM 1184 O LYS A 74 11.716 -2.778 5.993 1.00 0.00 O ATOM 1185 CB LYS A 74 9.216 -4.721 7.078 1.00 0.00 C ATOM 1186 CG LYS A 74 7.973 -4.838 7.950 1.00 0.00 C ATOM 1187 CD LYS A 74 7.445 -3.476 8.378 1.00 0.00 C ATOM 1188 CE LYS A 74 6.512 -3.586 9.572 1.00 0.00 C ATOM 1189 NZ LYS A 74 7.155 -4.286 10.719 1.00 0.00 N ATOM 0 H LYS A 74 7.482 -3.591 5.727 1.00 0.00 H new ATOM 0 HA LYS A 74 9.568 -2.602 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.150 -5.452 6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.090 -4.982 7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.196 -5.372 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.206 -5.431 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.281 -2.824 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.917 -3.012 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.202 -2.588 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.610 -4.123 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.531 -5.048 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.063 -4.691 10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.320 -3.609 11.491 1.00 0.00 H new ATOM 1203 N GLU A 75 10.620 -3.990 4.450 1.00 0.00 N ATOM 1204 CA GLU A 75 11.771 -4.072 3.560 1.00 0.00 C ATOM 1205 C GLU A 75 12.240 -2.683 3.137 1.00 0.00 C ATOM 1206 O GLU A 75 13.422 -2.479 2.862 1.00 0.00 O ATOM 1207 CB GLU A 75 11.450 -4.923 2.329 1.00 0.00 C ATOM 1208 CG GLU A 75 10.177 -4.513 1.612 1.00 0.00 C ATOM 1209 CD GLU A 75 9.989 -5.242 0.296 1.00 0.00 C ATOM 1210 OE1 GLU A 75 10.715 -4.923 -0.668 1.00 0.00 O ATOM 1211 OE2 GLU A 75 9.115 -6.133 0.231 1.00 0.00 O ATOM 0 H GLU A 75 9.784 -4.463 4.108 1.00 0.00 H new ATOM 0 HA GLU A 75 12.580 -4.552 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.284 -4.862 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.364 -5.966 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.321 -4.710 2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.198 -3.439 1.428 1.00 0.00 H new ATOM 1218 N VAL A 76 11.316 -1.725 3.089 1.00 0.00 N ATOM 1219 CA VAL A 76 11.672 -0.359 2.700 1.00 0.00 C ATOM 1220 C VAL A 76 11.718 0.578 3.903 1.00 0.00 C ATOM 1221 O VAL A 76 11.846 1.793 3.747 1.00 0.00 O ATOM 1222 CB VAL A 76 10.692 0.226 1.662 1.00 0.00 C ATOM 1223 CG1 VAL A 76 11.397 1.244 0.782 1.00 0.00 C ATOM 1224 CG2 VAL A 76 10.075 -0.873 0.819 1.00 0.00 C ATOM 0 H VAL A 76 10.330 -1.864 3.310 1.00 0.00 H new ATOM 0 HA VAL A 76 12.664 -0.430 2.254 1.00 0.00 H new ATOM 0 HB VAL A 76 9.888 0.730 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.692 1.647 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.783 2.054 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.222 0.762 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.388 -0.434 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.862 -1.412 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.531 -1.564 1.463 1.00 0.00 H new ATOM 1234 N TYR A 77 11.605 0.016 5.102 1.00 0.00 N ATOM 1235 CA TYR A 77 11.627 0.814 6.319 1.00 0.00 C ATOM 1236 C TYR A 77 12.216 0.019 7.486 1.00 0.00 C ATOM 1237 O TYR A 77 11.646 -0.989 7.905 1.00 0.00 O ATOM 1238 CB TYR A 77 10.213 1.284 6.658 1.00 0.00 C ATOM 1239 CG TYR A 77 10.172 2.604 7.395 1.00 0.00 C ATOM 1240 CD1 TYR A 77 10.950 2.814 8.527 1.00 0.00 C ATOM 1241 CD2 TYR A 77 9.360 3.642 6.955 1.00 0.00 C ATOM 1242 CE1 TYR A 77 10.920 4.021 9.199 1.00 0.00 C ATOM 1243 CE2 TYR A 77 9.324 4.851 7.624 1.00 0.00 C ATOM 1244 CZ TYR A 77 10.106 5.035 8.744 1.00 0.00 C ATOM 1245 OH TYR A 77 10.073 6.239 9.410 1.00 0.00 O ATOM 0 H TYR A 77 11.498 -0.987 5.255 1.00 0.00 H new ATOM 0 HA TYR A 77 12.262 1.683 6.149 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.639 1.375 5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.723 0.523 7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 77 11.588 2.021 8.887 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.747 3.502 6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 77 11.532 4.169 10.077 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.686 5.648 7.271 1.00 0.00 H new ATOM 0 HH TYR A 77 9.449 6.845 8.959 1.00 0.00 H new ATOM 1255 N PRO A 78 13.372 0.455 8.023 1.00 0.00 N ATOM 1256 CA PRO A 78 14.034 -0.230 9.139 1.00 0.00 C ATOM 1257 C PRO A 78 13.274 -0.089 10.456 1.00 0.00 C ATOM 1258 O PRO A 78 13.004 -1.079 11.136 1.00 0.00 O ATOM 1259 CB PRO A 78 15.402 0.462 9.241 1.00 0.00 C ATOM 1260 CG PRO A 78 15.529 1.304 8.014 1.00 0.00 C ATOM 1261 CD PRO A 78 14.131 1.635 7.589 1.00 0.00 C ATOM 0 HA PRO A 78 14.096 -1.303 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.464 1.073 10.142 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.207 -0.271 9.297 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.098 2.210 8.221 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.059 0.768 7.227 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.769 2.546 8.064 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.061 1.788 6.512 1.00 0.00 H new ATOM 1269 N GLU A 79 12.946 1.147 10.815 1.00 0.00 N ATOM 1270 CA GLU A 79 12.231 1.424 12.060 1.00 0.00 C ATOM 1271 C GLU A 79 10.931 0.628 12.159 1.00 0.00 C ATOM 1272 O GLU A 79 10.414 0.408 13.253 1.00 0.00 O ATOM 1273 CB GLU A 79 11.935 2.919 12.177 1.00 0.00 C ATOM 1274 CG GLU A 79 11.906 3.422 13.611 1.00 0.00 C ATOM 1275 CD GLU A 79 13.253 3.941 14.074 1.00 0.00 C ATOM 1276 OE1 GLU A 79 13.666 5.022 13.604 1.00 0.00 O ATOM 1277 OE2 GLU A 79 13.895 3.265 14.905 1.00 0.00 O ATOM 0 H GLU A 79 13.163 1.976 10.262 1.00 0.00 H new ATOM 0 HA GLU A 79 12.875 1.114 12.883 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.690 3.475 11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.974 3.129 11.708 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.165 4.217 13.699 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.586 2.614 14.269 1.00 0.00 H new ATOM 1284 N ALA A 80 10.398 0.206 11.016 1.00 0.00 N ATOM 1285 CA ALA A 80 9.153 -0.554 10.995 1.00 0.00 C ATOM 1286 C ALA A 80 9.349 -1.966 11.539 1.00 0.00 C ATOM 1287 O ALA A 80 8.493 -2.492 12.250 1.00 0.00 O ATOM 1288 CB ALA A 80 8.586 -0.608 9.586 1.00 0.00 C ATOM 0 H ALA A 80 10.806 0.376 10.097 1.00 0.00 H new ATOM 0 HA ALA A 80 8.443 -0.041 11.644 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.657 -1.179 9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.388 0.405 9.234 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.305 -1.089 8.923 1.00 0.00 H new ATOM 1294 N ARG A 81 10.480 -2.576 11.200 1.00 0.00 N ATOM 1295 CA ARG A 81 10.783 -3.931 11.653 1.00 0.00 C ATOM 1296 C ARG A 81 10.770 -4.023 13.178 1.00 0.00 C ATOM 1297 O ARG A 81 10.615 -5.106 13.741 1.00 0.00 O ATOM 1298 CB ARG A 81 12.144 -4.379 11.114 1.00 0.00 C ATOM 1299 CG ARG A 81 12.055 -5.144 9.804 1.00 0.00 C ATOM 1300 CD ARG A 81 13.301 -5.979 9.559 1.00 0.00 C ATOM 1301 NE ARG A 81 13.228 -6.714 8.299 1.00 0.00 N ATOM 1302 CZ ARG A 81 14.197 -7.506 7.846 1.00 0.00 C ATOM 1303 NH1 ARG A 81 15.312 -7.669 8.546 1.00 0.00 N ATOM 1304 NH2 ARG A 81 14.049 -8.138 6.688 1.00 0.00 N ATOM 0 H ARG A 81 11.201 -2.155 10.614 1.00 0.00 H new ATOM 0 HA ARG A 81 10.008 -4.593 11.266 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.776 -3.502 10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.633 -5.006 11.860 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.179 -5.792 9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.918 -4.443 8.981 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.176 -5.330 9.550 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.434 -6.682 10.382 1.00 0.00 H new ATOM 0 HE ARG A 81 12.385 -6.615 7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.430 -7.186 9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.051 -8.277 8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.193 -8.016 6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.791 -8.745 6.340 1.00 0.00 H new ATOM 1318 N LYS A 82 10.934 -2.883 13.844 1.00 0.00 N ATOM 1319 CA LYS A 82 10.941 -2.843 15.301 1.00 0.00 C ATOM 1320 C LYS A 82 9.606 -3.320 15.865 1.00 0.00 C ATOM 1321 O LYS A 82 8.543 -3.001 15.328 1.00 0.00 O ATOM 1322 CB LYS A 82 11.243 -1.426 15.792 1.00 0.00 C ATOM 1323 CG LYS A 82 12.441 -1.348 16.726 1.00 0.00 C ATOM 1324 CD LYS A 82 12.008 -1.274 18.181 1.00 0.00 C ATOM 1325 CE LYS A 82 11.719 0.157 18.605 1.00 0.00 C ATOM 1326 NZ LYS A 82 12.968 0.949 18.783 1.00 0.00 N ATOM 0 H LYS A 82 11.064 -1.976 13.397 1.00 0.00 H new ATOM 0 HA LYS A 82 11.723 -3.515 15.655 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.422 -0.782 14.931 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.366 -1.034 16.306 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.077 -2.221 16.578 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.040 -0.472 16.478 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.117 -1.885 18.328 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.789 -1.692 18.816 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.089 0.637 17.856 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.157 0.152 19.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.748 1.837 19.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.650 0.400 19.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.379 1.164 17.852 1.00 0.00 H new ATOM 1340 N LYS A 83 9.664 -4.083 16.952 1.00 0.00 N ATOM 1341 CA LYS A 83 8.460 -4.600 17.590 1.00 0.00 C ATOM 1342 C LYS A 83 7.681 -3.477 18.268 1.00 0.00 C ATOM 1343 O LYS A 83 8.268 -2.588 18.886 1.00 0.00 O ATOM 1344 CB LYS A 83 8.823 -5.682 18.612 1.00 0.00 C ATOM 1345 CG LYS A 83 8.042 -6.975 18.429 1.00 0.00 C ATOM 1346 CD LYS A 83 8.903 -8.066 17.807 1.00 0.00 C ATOM 1347 CE LYS A 83 9.102 -9.234 18.759 1.00 0.00 C ATOM 1348 NZ LYS A 83 7.949 -10.177 18.731 1.00 0.00 N ATOM 0 H LYS A 83 10.534 -4.357 17.409 1.00 0.00 H new ATOM 0 HA LYS A 83 7.828 -5.040 16.819 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.889 -5.897 18.539 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.644 -5.297 19.616 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.666 -7.313 19.394 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.174 -6.790 17.796 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.435 -8.420 16.889 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.873 -7.652 17.531 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.014 -9.768 18.493 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.238 -8.857 19.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.124 -10.959 19.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.082 -9.674 19.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.835 -10.557 17.770 1.00 0.00 H new ATOM 1362 N GLY A 84 6.359 -3.524 18.148 1.00 0.00 N ATOM 1363 CA GLY A 84 5.523 -2.503 18.752 1.00 0.00 C ATOM 1364 C GLY A 84 5.247 -1.342 17.811 1.00 0.00 C ATOM 1365 O GLY A 84 4.691 -0.324 18.222 1.00 0.00 O ATOM 0 H GLY A 84 5.851 -4.251 17.643 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.577 -2.949 19.060 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.008 -2.128 19.653 1.00 0.00 H new ATOM 1369 N THR A 85 5.639 -1.494 16.548 1.00 0.00 N ATOM 1370 CA THR A 85 5.435 -0.449 15.553 1.00 0.00 C ATOM 1371 C THR A 85 4.030 -0.513 14.959 1.00 0.00 C ATOM 1372 O THR A 85 3.739 -1.372 14.128 1.00 0.00 O ATOM 1373 CB THR A 85 6.472 -0.577 14.438 1.00 0.00 C ATOM 1374 OG1 THR A 85 7.782 -0.635 14.975 1.00 0.00 O ATOM 1375 CG2 THR A 85 6.429 0.568 13.451 1.00 0.00 C ATOM 0 H THR A 85 6.099 -2.331 16.191 1.00 0.00 H new ATOM 0 HA THR A 85 5.551 0.514 16.051 1.00 0.00 H new ATOM 0 HB THR A 85 6.222 -1.499 13.913 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.948 -1.531 15.336 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.190 0.417 12.685 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.445 0.608 12.983 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.621 1.506 13.973 1.00 0.00 H new ATOM 1383 N HIS A 86 3.167 0.405 15.385 1.00 0.00 N ATOM 1384 CA HIS A 86 1.796 0.456 14.889 1.00 0.00 C ATOM 1385 C HIS A 86 1.663 1.487 13.770 1.00 0.00 C ATOM 1386 O HIS A 86 1.823 2.686 13.996 1.00 0.00 O ATOM 1387 CB HIS A 86 0.830 0.785 16.027 1.00 0.00 C ATOM 1388 CG HIS A 86 1.011 -0.078 17.236 1.00 0.00 C ATOM 1389 ND1 HIS A 86 2.130 -0.025 18.040 1.00 0.00 N ATOM 1390 CD2 HIS A 86 0.205 -1.022 17.779 1.00 0.00 C ATOM 1391 CE1 HIS A 86 2.006 -0.898 19.024 1.00 0.00 C ATOM 1392 NE2 HIS A 86 0.846 -1.515 18.889 1.00 0.00 N ATOM 0 H HIS A 86 3.393 1.124 16.073 1.00 0.00 H new ATOM 0 HA HIS A 86 1.543 -0.524 14.486 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.961 1.829 16.313 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -0.193 0.680 15.666 1.00 0.00 H new ATOM 0 HD1 HIS A 86 2.929 0.592 17.897 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -0.762 -1.330 17.408 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.730 -1.077 19.805 1.00 0.00 H new ATOM 1400 N PHE A 87 1.381 1.009 12.560 1.00 0.00 N ATOM 1401 CA PHE A 87 1.242 1.890 11.402 1.00 0.00 C ATOM 1402 C PHE A 87 -0.189 1.896 10.870 1.00 0.00 C ATOM 1403 O PHE A 87 -0.969 0.985 11.144 1.00 0.00 O ATOM 1404 CB PHE A 87 2.213 1.473 10.288 1.00 0.00 C ATOM 1405 CG PHE A 87 2.850 0.131 10.514 1.00 0.00 C ATOM 1406 CD1 PHE A 87 4.000 0.016 11.278 1.00 0.00 C ATOM 1407 CD2 PHE A 87 2.292 -1.014 9.972 1.00 0.00 C ATOM 1408 CE1 PHE A 87 4.583 -1.216 11.495 1.00 0.00 C ATOM 1409 CE2 PHE A 87 2.869 -2.249 10.188 1.00 0.00 C ATOM 1410 CZ PHE A 87 4.015 -2.351 10.950 1.00 0.00 C ATOM 0 H PHE A 87 1.244 0.019 12.356 1.00 0.00 H new ATOM 0 HA PHE A 87 1.486 2.901 11.729 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.677 1.456 9.339 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.996 2.227 10.199 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.445 0.901 11.709 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.396 -0.940 9.374 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.481 -1.292 12.090 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.424 -3.135 9.761 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.467 -3.317 11.120 1.00 0.00 H new ATOM 1420 N ASN A 88 -0.521 2.935 10.104 1.00 0.00 N ATOM 1421 CA ASN A 88 -1.857 3.073 9.527 1.00 0.00 C ATOM 1422 C ASN A 88 -1.779 3.243 8.011 1.00 0.00 C ATOM 1423 O ASN A 88 -0.765 3.693 7.486 1.00 0.00 O ATOM 1424 CB ASN A 88 -2.576 4.270 10.150 1.00 0.00 C ATOM 1425 CG ASN A 88 -4.085 4.149 10.063 1.00 0.00 C ATOM 1426 OD1 ASN A 88 -4.610 3.317 9.324 1.00 0.00 O ATOM 1427 ND2 ASN A 88 -4.788 4.982 10.821 1.00 0.00 N ATOM 0 H ASN A 88 0.118 3.694 9.869 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.419 2.164 9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.282 4.363 11.195 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.258 5.183 9.647 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.807 4.948 10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.309 5.656 11.419 1.00 0.00 H new ATOM 1434 N PHE A 89 -2.856 2.879 7.315 1.00 0.00 N ATOM 1435 CA PHE A 89 -2.896 2.995 5.857 1.00 0.00 C ATOM 1436 C PHE A 89 -3.998 3.943 5.399 1.00 0.00 C ATOM 1437 O PHE A 89 -5.162 3.793 5.781 1.00 0.00 O ATOM 1438 CB PHE A 89 -3.104 1.625 5.212 1.00 0.00 C ATOM 1439 CG PHE A 89 -2.125 0.589 5.676 1.00 0.00 C ATOM 1440 CD1 PHE A 89 -2.331 -0.088 6.862 1.00 0.00 C ATOM 1441 CD2 PHE A 89 -1.001 0.289 4.922 1.00 0.00 C ATOM 1442 CE1 PHE A 89 -1.443 -1.043 7.295 1.00 0.00 C ATOM 1443 CE2 PHE A 89 -0.103 -0.669 5.350 1.00 0.00 C ATOM 1444 CZ PHE A 89 -0.323 -1.338 6.541 1.00 0.00 C ATOM 0 H PHE A 89 -3.707 2.504 7.734 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.936 3.403 5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.115 1.280 5.429 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.027 1.727 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.203 0.137 7.458 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.826 0.809 3.992 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.620 -1.563 8.225 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.770 -0.896 4.756 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.377 -2.087 6.880 1.00 0.00 H new ATOM 1454 N ALA A 90 -3.618 4.909 4.567 1.00 0.00 N ATOM 1455 CA ALA A 90 -4.555 5.887 4.030 1.00 0.00 C ATOM 1456 C ALA A 90 -4.137 6.322 2.627 1.00 0.00 C ATOM 1457 O ALA A 90 -3.145 5.831 2.087 1.00 0.00 O ATOM 1458 CB ALA A 90 -4.650 7.090 4.956 1.00 0.00 C ATOM 0 H ALA A 90 -2.657 5.034 4.249 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.538 5.421 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.353 7.813 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.996 6.767 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.668 7.554 5.052 1.00 0.00 H new ATOM 1464 N ILE A 91 -4.898 7.240 2.039 1.00 0.00 N ATOM 1465 CA ILE A 91 -4.598 7.731 0.698 1.00 0.00 C ATOM 1466 C ILE A 91 -4.558 9.255 0.662 1.00 0.00 C ATOM 1467 O ILE A 91 -5.585 9.913 0.835 1.00 0.00 O ATOM 1468 CB ILE A 91 -5.638 7.238 -0.330 1.00 0.00 C ATOM 1469 CG1 ILE A 91 -5.843 5.726 -0.202 1.00 0.00 C ATOM 1470 CG2 ILE A 91 -5.200 7.600 -1.743 1.00 0.00 C ATOM 1471 CD1 ILE A 91 -7.269 5.290 -0.460 1.00 0.00 C ATOM 0 H ILE A 91 -5.724 7.658 2.468 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.617 7.336 0.434 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.588 7.732 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.182 5.216 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.550 5.410 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.944 7.246 -2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.103 8.682 -1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.239 7.132 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.344 4.208 -0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.932 5.772 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.559 5.575 -1.471 1.00 0.00 H new ATOM 1483 N VAL A 92 -3.369 9.808 0.427 1.00 0.00 N ATOM 1484 CA VAL A 92 -3.190 11.256 0.360 1.00 0.00 C ATOM 1485 C VAL A 92 -2.336 11.647 -0.846 1.00 0.00 C ATOM 1486 O VAL A 92 -1.271 11.074 -1.068 1.00 0.00 O ATOM 1487 CB VAL A 92 -2.531 11.809 1.642 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -1.083 11.351 1.752 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -2.620 13.327 1.674 1.00 0.00 C ATOM 0 H VAL A 92 -2.513 9.273 0.280 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.184 11.691 0.259 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.074 11.414 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.642 11.754 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.047 10.262 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.522 11.708 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.151 13.700 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.107 13.740 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.667 13.631 1.655 1.00 0.00 H new ATOM 1673 N VAL A 103 -8.411 12.962 1.151 1.00 0.00 N ATOM 1674 CA VAL A 103 -7.554 11.974 1.798 1.00 0.00 C ATOM 1675 C VAL A 103 -8.321 11.235 2.889 1.00 0.00 C ATOM 1676 O VAL A 103 -9.097 11.837 3.631 1.00 0.00 O ATOM 1677 CB VAL A 103 -6.298 12.642 2.405 1.00 0.00 C ATOM 1678 CG1 VAL A 103 -6.694 13.821 3.280 1.00 0.00 C ATOM 1679 CG2 VAL A 103 -5.460 11.641 3.194 1.00 0.00 C ATOM 0 HA VAL A 103 -7.236 11.260 1.038 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.684 13.009 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.799 14.280 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.231 14.555 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.337 13.474 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.585 12.144 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.057 11.227 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.138 10.836 2.534 1.00 0.00 H new ATOM 1689 N LYS A 104 -8.106 9.926 2.981 1.00 0.00 N ATOM 1690 CA LYS A 104 -8.790 9.116 3.984 1.00 0.00 C ATOM 1691 C LYS A 104 -8.038 7.820 4.270 1.00 0.00 C ATOM 1692 O LYS A 104 -7.262 7.341 3.443 1.00 0.00 O ATOM 1693 CB LYS A 104 -10.215 8.799 3.525 1.00 0.00 C ATOM 1694 CG LYS A 104 -10.293 8.272 2.101 1.00 0.00 C ATOM 1695 CD LYS A 104 -11.698 8.402 1.535 1.00 0.00 C ATOM 1696 CE LYS A 104 -11.852 7.622 0.239 1.00 0.00 C ATOM 1697 NZ LYS A 104 -11.758 8.506 -0.955 1.00 0.00 N ATOM 0 H LYS A 104 -7.468 9.406 2.378 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.825 9.695 4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.650 8.062 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.822 9.701 3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.593 8.820 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.987 7.226 2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.421 8.040 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.924 9.453 1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.081 6.854 0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.814 7.109 0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.868 7.936 -1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.510 9.224 -0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.831 8.976 -0.966 1.00 0.00 H new ATOM 1711 N GLU A 105 -8.284 7.257 5.453 1.00 0.00 N ATOM 1712 CA GLU A 105 -7.642 6.012 5.864 1.00 0.00 C ATOM 1713 C GLU A 105 -8.614 4.839 5.731 1.00 0.00 C ATOM 1714 O GLU A 105 -9.825 5.007 5.879 1.00 0.00 O ATOM 1715 CB GLU A 105 -7.133 6.144 7.306 1.00 0.00 C ATOM 1716 CG GLU A 105 -6.707 4.831 7.946 1.00 0.00 C ATOM 1717 CD GLU A 105 -7.565 4.460 9.142 1.00 0.00 C ATOM 1718 OE1 GLU A 105 -7.431 5.117 10.195 1.00 0.00 O ATOM 1719 OE2 GLU A 105 -8.368 3.512 9.023 1.00 0.00 O ATOM 0 H GLU A 105 -8.925 7.646 6.144 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.792 5.816 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.287 6.831 7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.917 6.593 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.761 4.035 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.666 4.905 8.259 1.00 0.00 H new ATOM 1726 N ILE A 106 -8.080 3.655 5.436 1.00 0.00 N ATOM 1727 CA ILE A 106 -8.910 2.466 5.267 1.00 0.00 C ATOM 1728 C ILE A 106 -8.635 1.411 6.337 1.00 0.00 C ATOM 1729 O ILE A 106 -9.476 0.550 6.593 1.00 0.00 O ATOM 1730 CB ILE A 106 -8.714 1.828 3.878 1.00 0.00 C ATOM 1731 CG1 ILE A 106 -7.224 1.644 3.570 1.00 0.00 C ATOM 1732 CG2 ILE A 106 -9.385 2.678 2.806 1.00 0.00 C ATOM 1733 CD1 ILE A 106 -6.622 0.416 4.217 1.00 0.00 C ATOM 0 H ILE A 106 -7.081 3.495 5.310 1.00 0.00 H new ATOM 0 HA ILE A 106 -9.940 2.807 5.367 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.182 0.843 3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.089 1.579 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.680 2.526 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.238 2.215 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.452 2.752 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -8.945 3.675 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.566 0.348 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.725 0.488 5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.141 -0.474 3.861 1.00 0.00 H new ATOM 1745 N GLY A 107 -7.464 1.475 6.961 1.00 0.00 N ATOM 1746 CA GLY A 107 -7.129 0.506 7.993 1.00 0.00 C ATOM 1747 C GLY A 107 -5.687 0.610 8.440 1.00 0.00 C ATOM 1748 O GLY A 107 -4.844 1.108 7.696 1.00 0.00 O ATOM 0 H GLY A 107 -6.745 2.174 6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.784 0.654 8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.318 -0.500 7.618 1.00 0.00 H new ATOM 1752 N SER A 108 -5.405 0.171 9.667 1.00 0.00 N ATOM 1753 CA SER A 108 -4.057 0.245 10.216 1.00 0.00 C ATOM 1754 C SER A 108 -3.565 -1.111 10.724 1.00 0.00 C ATOM 1755 O SER A 108 -4.306 -1.854 11.367 1.00 0.00 O ATOM 1756 CB SER A 108 -4.028 1.259 11.361 1.00 0.00 C ATOM 1757 OG SER A 108 -4.391 0.652 12.590 1.00 0.00 O ATOM 0 H SER A 108 -6.094 -0.239 10.297 1.00 0.00 H new ATOM 0 HA SER A 108 -3.390 0.558 9.413 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.030 1.689 11.445 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.711 2.080 11.141 1.00 0.00 H new ATOM 0 HG SER A 108 -4.363 1.321 13.306 1.00 0.00 H new ATOM 1763 N THR A 109 -2.297 -1.405 10.451 1.00 0.00 N ATOM 1764 CA THR A 109 -1.672 -2.646 10.897 1.00 0.00 C ATOM 1765 C THR A 109 -0.464 -2.320 11.764 1.00 0.00 C ATOM 1766 O THR A 109 -0.277 -1.169 12.160 1.00 0.00 O ATOM 1767 CB THR A 109 -1.247 -3.515 9.711 1.00 0.00 C ATOM 1768 OG1 THR A 109 -0.228 -2.885 8.958 1.00 0.00 O ATOM 1769 CG2 THR A 109 -2.385 -3.841 8.771 1.00 0.00 C ATOM 0 H THR A 109 -1.678 -0.794 9.918 1.00 0.00 H new ATOM 0 HA THR A 109 -2.402 -3.210 11.477 1.00 0.00 H new ATOM 0 HB THR A 109 -0.885 -4.444 10.153 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.580 -2.631 8.080 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.015 -4.459 7.953 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.161 -4.382 9.313 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.801 -2.917 8.369 1.00 0.00 H new ATOM 1777 N MET A 110 0.360 -3.318 12.059 1.00 0.00 N ATOM 1778 CA MET A 110 1.539 -3.084 12.880 1.00 0.00 C ATOM 1779 C MET A 110 2.562 -4.208 12.739 1.00 0.00 C ATOM 1780 O MET A 110 2.386 -5.132 11.945 1.00 0.00 O ATOM 1781 CB MET A 110 1.137 -2.882 14.343 1.00 0.00 C ATOM 1782 CG MET A 110 0.817 -4.162 15.098 1.00 0.00 C ATOM 1783 SD MET A 110 1.000 -3.963 16.881 1.00 0.00 S ATOM 1784 CE MET A 110 2.584 -3.131 16.963 1.00 0.00 C ATOM 0 H MET A 110 0.236 -4.281 11.748 1.00 0.00 H new ATOM 0 HA MET A 110 2.018 -2.172 12.523 1.00 0.00 H new ATOM 0 HB2 MET A 110 1.946 -2.365 14.859 1.00 0.00 H new ATOM 0 HB3 MET A 110 0.266 -2.228 14.379 1.00 0.00 H new ATOM 0 HG2 MET A 110 -0.204 -4.470 14.871 1.00 0.00 H new ATOM 0 HG3 MET A 110 1.475 -4.960 14.753 1.00 0.00 H new ATOM 0 HE1 MET A 110 2.932 -3.111 17.996 1.00 0.00 H new ATOM 0 HE2 MET A 110 3.308 -3.665 16.347 1.00 0.00 H new ATOM 0 HE3 MET A 110 2.478 -2.110 16.596 1.00 0.00 H new ATOM 1794 N SER A 111 3.645 -4.100 13.503 1.00 0.00 N ATOM 1795 CA SER A 111 4.721 -5.083 13.456 1.00 0.00 C ATOM 1796 C SER A 111 4.513 -6.217 14.458 1.00 0.00 C ATOM 1797 O SER A 111 4.958 -6.132 15.601 1.00 0.00 O ATOM 1798 CB SER A 111 6.060 -4.399 13.733 1.00 0.00 C ATOM 1799 OG SER A 111 7.137 -5.157 13.212 1.00 0.00 O ATOM 0 H SER A 111 3.800 -3.339 14.164 1.00 0.00 H new ATOM 0 HA SER A 111 4.719 -5.519 12.457 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.063 -3.404 13.288 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.190 -4.268 14.807 1.00 0.00 H new ATOM 0 HG SER A 111 7.982 -4.698 13.401 1.00 0.00 H new ATOM 1805 N GLY A 112 3.864 -7.294 14.018 1.00 0.00 N ATOM 1806 CA GLY A 112 3.655 -8.434 14.893 1.00 0.00 C ATOM 1807 C GLY A 112 2.235 -8.566 15.419 1.00 0.00 C ATOM 1808 O GLY A 112 2.019 -9.186 16.459 1.00 0.00 O ATOM 0 H GLY A 112 3.482 -7.396 13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.916 -9.344 14.353 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.338 -8.358 15.739 1.00 0.00 H new ATOM 1812 N ARG A 113 1.262 -7.999 14.713 1.00 0.00 N ATOM 1813 CA ARG A 113 -0.127 -8.092 15.153 1.00 0.00 C ATOM 1814 C ARG A 113 -1.074 -8.309 13.980 1.00 0.00 C ATOM 1815 O ARG A 113 -0.778 -7.929 12.847 1.00 0.00 O ATOM 1816 CB ARG A 113 -0.533 -6.838 15.926 1.00 0.00 C ATOM 1817 CG ARG A 113 -1.501 -7.118 17.065 1.00 0.00 C ATOM 1818 CD ARG A 113 -2.062 -5.831 17.652 1.00 0.00 C ATOM 1819 NE ARG A 113 -2.293 -5.942 19.090 1.00 0.00 N ATOM 1820 CZ ARG A 113 -2.549 -4.903 19.882 1.00 0.00 C ATOM 1821 NH1 ARG A 113 -2.610 -3.676 19.382 1.00 0.00 N ATOM 1822 NH2 ARG A 113 -2.749 -5.094 21.180 1.00 0.00 N ATOM 0 H ARG A 113 1.404 -7.478 13.848 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.202 -8.957 15.812 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.362 -6.362 16.328 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.990 -6.127 15.237 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -2.319 -7.741 16.703 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.992 -7.683 17.846 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.370 -5.012 17.458 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.998 -5.582 17.152 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.256 -6.870 19.512 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.460 -3.524 18.385 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.807 -2.885 19.995 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.706 -6.036 21.569 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.945 -4.299 21.788 1.00 0.00 H new ATOM 1836 N LYS A 114 -2.218 -8.924 14.265 1.00 0.00 N ATOM 1837 CA LYS A 114 -3.221 -9.199 13.244 1.00 0.00 C ATOM 1838 C LYS A 114 -4.529 -8.484 13.566 1.00 0.00 C ATOM 1839 O LYS A 114 -5.399 -9.036 14.239 1.00 0.00 O ATOM 1840 CB LYS A 114 -3.464 -10.706 13.135 1.00 0.00 C ATOM 1841 CG LYS A 114 -3.821 -11.164 11.731 1.00 0.00 C ATOM 1842 CD LYS A 114 -4.539 -12.505 11.750 1.00 0.00 C ATOM 1843 CE LYS A 114 -5.618 -12.575 10.683 1.00 0.00 C ATOM 1844 NZ LYS A 114 -6.919 -12.040 11.172 1.00 0.00 N ATOM 0 H LYS A 114 -2.473 -9.242 15.200 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.848 -8.827 12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.569 -11.235 13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.268 -10.986 13.815 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.455 -10.417 11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.914 -11.244 11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.818 -13.307 11.593 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.985 -12.666 12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.299 -12.010 9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.747 -13.610 10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.628 -12.106 10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.236 -12.595 11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.802 -11.045 11.451 1.00 0.00 H new ATOM 1858 N GLY A 115 -4.659 -7.252 13.085 1.00 0.00 N ATOM 1859 CA GLY A 115 -5.862 -6.481 13.336 1.00 0.00 C ATOM 1860 C GLY A 115 -7.015 -6.896 12.445 1.00 0.00 C ATOM 1861 O GLY A 115 -6.946 -7.919 11.763 1.00 0.00 O ATOM 0 H GLY A 115 -3.953 -6.774 12.526 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.153 -6.598 14.380 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.650 -5.423 13.181 1.00 0.00 H new ATOM 1865 N THR A 116 -8.079 -6.100 12.450 1.00 0.00 N ATOM 1866 CA THR A 116 -9.255 -6.389 11.636 1.00 0.00 C ATOM 1867 C THR A 116 -9.025 -5.984 10.183 1.00 0.00 C ATOM 1868 O THR A 116 -9.615 -6.558 9.268 1.00 0.00 O ATOM 1869 CB THR A 116 -10.477 -5.659 12.194 1.00 0.00 C ATOM 1870 OG1 THR A 116 -10.507 -5.738 13.607 1.00 0.00 O ATOM 1871 CG2 THR A 116 -11.790 -6.205 11.675 1.00 0.00 C ATOM 0 H THR A 116 -8.152 -5.250 13.009 1.00 0.00 H new ATOM 0 HA THR A 116 -9.435 -7.464 11.670 1.00 0.00 H new ATOM 0 HB THR A 116 -10.374 -4.627 11.859 1.00 0.00 H new ATOM 0 HG1 THR A 116 -11.295 -5.263 13.945 1.00 0.00 H new ATOM 0 HG21 THR A 116 -12.616 -5.642 12.111 1.00 0.00 H new ATOM 0 HG22 THR A 116 -11.819 -6.111 10.589 1.00 0.00 H new ATOM 0 HG23 THR A 116 -11.882 -7.256 11.951 1.00 0.00 H new ATOM 1879 N ASP A 117 -8.164 -4.992 9.978 1.00 0.00 N ATOM 1880 CA ASP A 117 -7.857 -4.511 8.637 1.00 0.00 C ATOM 1881 C ASP A 117 -6.816 -5.398 7.961 1.00 0.00 C ATOM 1882 O ASP A 117 -6.785 -5.511 6.736 1.00 0.00 O ATOM 1883 CB ASP A 117 -7.352 -3.068 8.693 1.00 0.00 C ATOM 1884 CG ASP A 117 -8.348 -2.131 9.347 1.00 0.00 C ATOM 1885 OD1 ASP A 117 -9.381 -1.825 8.714 1.00 0.00 O ATOM 1886 OD2 ASP A 117 -8.096 -1.704 10.494 1.00 0.00 O ATOM 0 H ASP A 117 -7.667 -4.506 10.724 1.00 0.00 H new ATOM 0 HA ASP A 117 -8.774 -4.547 8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.412 -3.036 9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.141 -2.721 7.682 1.00 0.00 H new ATOM 1891 N ASP A 118 -5.964 -6.027 8.768 1.00 0.00 N ATOM 1892 CA ASP A 118 -4.917 -6.905 8.255 1.00 0.00 C ATOM 1893 C ASP A 118 -5.463 -7.880 7.212 1.00 0.00 C ATOM 1894 O ASP A 118 -4.840 -8.109 6.175 1.00 0.00 O ATOM 1895 CB ASP A 118 -4.275 -7.685 9.404 1.00 0.00 C ATOM 1896 CG ASP A 118 -2.823 -8.026 9.131 1.00 0.00 C ATOM 1897 OD1 ASP A 118 -2.032 -7.094 8.875 1.00 0.00 O ATOM 1898 OD2 ASP A 118 -2.477 -9.225 9.175 1.00 0.00 O ATOM 0 H ASP A 118 -5.980 -5.944 9.784 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.166 -6.279 7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.341 -7.098 10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.836 -8.604 9.573 1.00 0.00 H new ATOM 1903 N SER A 119 -6.624 -8.460 7.499 1.00 0.00 N ATOM 1904 CA SER A 119 -7.249 -9.419 6.591 1.00 0.00 C ATOM 1905 C SER A 119 -7.865 -8.731 5.372 1.00 0.00 C ATOM 1906 O SER A 119 -8.275 -9.397 4.420 1.00 0.00 O ATOM 1907 CB SER A 119 -8.320 -10.224 7.331 1.00 0.00 C ATOM 1908 OG SER A 119 -9.243 -9.370 7.982 1.00 0.00 O ATOM 0 H SER A 119 -7.152 -8.283 8.353 1.00 0.00 H new ATOM 0 HA SER A 119 -6.468 -10.091 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 119 -8.849 -10.865 6.626 1.00 0.00 H new ATOM 0 HB3 SER A 119 -7.846 -10.878 8.063 1.00 0.00 H new ATOM 0 HG SER A 119 -9.917 -9.910 8.446 1.00 0.00 H new ATOM 1914 N MET A 120 -7.928 -7.403 5.399 1.00 0.00 N ATOM 1915 CA MET A 120 -8.490 -6.646 4.285 1.00 0.00 C ATOM 1916 C MET A 120 -7.467 -6.517 3.164 1.00 0.00 C ATOM 1917 O MET A 120 -6.274 -6.696 3.390 1.00 0.00 O ATOM 1918 CB MET A 120 -8.939 -5.260 4.753 1.00 0.00 C ATOM 1919 CG MET A 120 -10.278 -4.828 4.178 1.00 0.00 C ATOM 1920 SD MET A 120 -11.207 -3.764 5.299 1.00 0.00 S ATOM 1921 CE MET A 120 -9.980 -2.516 5.683 1.00 0.00 C ATOM 0 H MET A 120 -7.598 -6.831 6.176 1.00 0.00 H new ATOM 0 HA MET A 120 -9.359 -7.183 3.906 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.002 -5.256 5.841 1.00 0.00 H new ATOM 0 HB3 MET A 120 -8.180 -4.528 4.475 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.112 -4.302 3.238 1.00 0.00 H new ATOM 0 HG3 MET A 120 -10.872 -5.712 3.947 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.284 -1.970 6.576 1.00 0.00 H new ATOM 0 HE2 MET A 120 -9.017 -2.995 5.861 1.00 0.00 H new ATOM 0 HE3 MET A 120 -9.891 -1.823 4.846 1.00 0.00 H new ATOM 1931 N THR A 121 -7.935 -6.209 1.959 1.00 0.00 N ATOM 1932 CA THR A 121 -7.043 -6.065 0.812 1.00 0.00 C ATOM 1933 C THR A 121 -6.999 -4.619 0.324 1.00 0.00 C ATOM 1934 O THR A 121 -7.924 -3.843 0.570 1.00 0.00 O ATOM 1935 CB THR A 121 -7.489 -6.986 -0.326 1.00 0.00 C ATOM 1936 OG1 THR A 121 -8.898 -7.127 -0.334 1.00 0.00 O ATOM 1937 CG2 THR A 121 -6.889 -8.375 -0.238 1.00 0.00 C ATOM 0 H THR A 121 -8.922 -6.055 1.751 1.00 0.00 H new ATOM 0 HA THR A 121 -6.040 -6.348 1.131 1.00 0.00 H new ATOM 0 HB THR A 121 -7.135 -6.510 -1.241 1.00 0.00 H new ATOM 0 HG1 THR A 121 -9.143 -7.934 -0.833 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.244 -8.978 -1.073 1.00 0.00 H new ATOM 0 HG22 THR A 121 -5.802 -8.305 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.188 -8.842 0.700 1.00 0.00 H new ATOM 1945 N LEU A 122 -5.918 -4.264 -0.366 1.00 0.00 N ATOM 1946 CA LEU A 122 -5.756 -2.912 -0.887 1.00 0.00 C ATOM 1947 C LEU A 122 -6.859 -2.590 -1.892 1.00 0.00 C ATOM 1948 O LEU A 122 -7.481 -1.531 -1.829 1.00 0.00 O ATOM 1949 CB LEU A 122 -4.379 -2.759 -1.542 1.00 0.00 C ATOM 1950 CG LEU A 122 -3.467 -1.712 -0.899 1.00 0.00 C ATOM 1951 CD1 LEU A 122 -2.112 -1.689 -1.589 1.00 0.00 C ATOM 1952 CD2 LEU A 122 -4.114 -0.338 -0.954 1.00 0.00 C ATOM 0 H LEU A 122 -5.143 -4.893 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.830 -2.209 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.873 -3.724 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.520 -2.500 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.317 -1.982 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.477 -0.939 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -1.642 -2.669 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.244 -1.443 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.452 0.395 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.293 -0.061 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.062 -0.360 -0.416 1.00 0.00 H new ATOM 1964 N GLN A 123 -7.089 -3.512 -2.822 1.00 0.00 N ATOM 1965 CA GLN A 123 -8.115 -3.332 -3.847 1.00 0.00 C ATOM 1966 C GLN A 123 -9.444 -2.912 -3.224 1.00 0.00 C ATOM 1967 O GLN A 123 -10.177 -2.099 -3.789 1.00 0.00 O ATOM 1968 CB GLN A 123 -8.300 -4.624 -4.641 1.00 0.00 C ATOM 1969 CG GLN A 123 -8.706 -5.811 -3.783 1.00 0.00 C ATOM 1970 CD GLN A 123 -8.995 -7.054 -4.602 1.00 0.00 C ATOM 1971 OE1 GLN A 123 -9.013 -7.011 -5.831 1.00 0.00 O ATOM 1972 NE2 GLN A 123 -9.224 -8.171 -3.920 1.00 0.00 N ATOM 0 H GLN A 123 -6.579 -4.393 -2.888 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.785 -2.541 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -9.058 -4.464 -5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -7.369 -4.860 -5.157 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.910 -6.028 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -9.591 -5.549 -3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.199 -8.160 -2.900 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -9.425 -9.039 -4.416 1.00 0.00 H new ATOM 1981 N SER A 124 -9.748 -3.471 -2.056 1.00 0.00 N ATOM 1982 CA SER A 124 -10.989 -3.155 -1.354 1.00 0.00 C ATOM 1983 C SER A 124 -10.974 -1.724 -0.818 1.00 0.00 C ATOM 1984 O SER A 124 -12.011 -1.193 -0.420 1.00 0.00 O ATOM 1985 CB SER A 124 -11.213 -4.139 -0.207 1.00 0.00 C ATOM 1986 OG SER A 124 -12.584 -4.477 -0.083 1.00 0.00 O ATOM 0 H SER A 124 -9.152 -4.145 -1.575 1.00 0.00 H new ATOM 0 HA SER A 124 -11.808 -3.242 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.627 -5.042 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.858 -3.701 0.726 1.00 0.00 H new ATOM 0 HG SER A 124 -12.699 -5.109 0.657 1.00 0.00 H new ATOM 1992 N GLN A 125 -9.796 -1.105 -0.808 1.00 0.00 N ATOM 1993 CA GLN A 125 -9.654 0.262 -0.317 1.00 0.00 C ATOM 1994 C GLN A 125 -9.803 1.273 -1.453 1.00 0.00 C ATOM 1995 O GLN A 125 -9.389 2.425 -1.325 1.00 0.00 O ATOM 1996 CB GLN A 125 -8.293 0.452 0.358 1.00 0.00 C ATOM 1997 CG GLN A 125 -7.775 -0.789 1.067 1.00 0.00 C ATOM 1998 CD GLN A 125 -8.717 -1.289 2.142 1.00 0.00 C ATOM 1999 OE1 GLN A 125 -9.770 -0.697 2.386 1.00 0.00 O ATOM 2000 NE2 GLN A 125 -8.343 -2.385 2.790 1.00 0.00 N ATOM 0 H GLN A 125 -8.927 -1.528 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 125 -10.446 0.434 0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.566 0.758 -0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.367 1.266 1.080 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.615 -1.580 0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -6.806 -0.568 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -7.462 -2.842 2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -8.937 -2.771 3.524 1.00 0.00 H new ATOM 2009 N LYS A 126 -10.387 0.837 -2.566 1.00 0.00 N ATOM 2010 CA LYS A 126 -10.579 1.708 -3.720 1.00 0.00 C ATOM 2011 C LYS A 126 -9.240 2.200 -4.266 1.00 0.00 C ATOM 2012 O LYS A 126 -9.188 3.175 -5.017 1.00 0.00 O ATOM 2013 CB LYS A 126 -11.460 2.902 -3.346 1.00 0.00 C ATOM 2014 CG LYS A 126 -12.912 2.532 -3.092 1.00 0.00 C ATOM 2015 CD LYS A 126 -13.144 2.145 -1.639 1.00 0.00 C ATOM 2016 CE LYS A 126 -13.452 3.363 -0.782 1.00 0.00 C ATOM 2017 NZ LYS A 126 -14.870 3.796 -0.916 1.00 0.00 N ATOM 0 H LYS A 126 -10.735 -0.113 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 126 -11.075 1.128 -4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -11.053 3.377 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -11.417 3.640 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -13.554 3.374 -3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -13.196 1.703 -3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -13.970 1.437 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -12.260 1.639 -1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -13.240 3.134 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -12.794 4.183 -1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -15.037 4.629 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -15.066 4.039 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -15.499 3.023 -0.618 1.00 0.00 H new ATOM 2031 N PHE A 127 -8.157 1.522 -3.889 1.00 0.00 N ATOM 2032 CA PHE A 127 -6.826 1.898 -4.345 1.00 0.00 C ATOM 2033 C PHE A 127 -6.592 1.439 -5.781 1.00 0.00 C ATOM 2034 O PHE A 127 -7.305 0.575 -6.291 1.00 0.00 O ATOM 2035 CB PHE A 127 -5.760 1.299 -3.427 1.00 0.00 C ATOM 2036 CG PHE A 127 -4.404 1.918 -3.610 1.00 0.00 C ATOM 2037 CD1 PHE A 127 -4.109 3.146 -3.041 1.00 0.00 C ATOM 2038 CD2 PHE A 127 -3.430 1.274 -4.354 1.00 0.00 C ATOM 2039 CE1 PHE A 127 -2.865 3.721 -3.213 1.00 0.00 C ATOM 2040 CE2 PHE A 127 -2.184 1.844 -4.528 1.00 0.00 C ATOM 2041 CZ PHE A 127 -1.901 3.070 -3.957 1.00 0.00 C ATOM 0 H PHE A 127 -8.178 0.711 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 127 -6.754 2.985 -4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -6.072 1.423 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -5.691 0.227 -3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -4.859 3.659 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.647 0.316 -4.803 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -2.646 4.679 -2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.432 1.332 -5.110 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.928 3.518 -4.092 1.00 0.00 H new ATOM 2051 N GLN A 128 -5.586 2.023 -6.424 1.00 0.00 N ATOM 2052 CA GLN A 128 -5.254 1.673 -7.800 1.00 0.00 C ATOM 2053 C GLN A 128 -3.754 1.812 -8.046 1.00 0.00 C ATOM 2054 O GLN A 128 -3.041 2.429 -7.255 1.00 0.00 O ATOM 2055 CB GLN A 128 -6.032 2.560 -8.777 1.00 0.00 C ATOM 2056 CG GLN A 128 -6.920 1.777 -9.731 1.00 0.00 C ATOM 2057 CD GLN A 128 -8.302 2.386 -9.874 1.00 0.00 C ATOM 2058 OE1 GLN A 128 -8.456 3.486 -10.403 1.00 0.00 O ATOM 2059 NE2 GLN A 128 -9.316 1.669 -9.401 1.00 0.00 N ATOM 0 H GLN A 128 -4.987 2.740 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 128 -5.536 0.633 -7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.648 3.258 -8.210 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -5.326 3.155 -9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -6.444 1.732 -10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.014 0.751 -9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -9.141 0.761 -8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -10.269 2.026 -9.469 1.00 0.00 H new ATOM 2068 N ILE A 129 -3.284 1.234 -9.144 1.00 0.00 N ATOM 2069 CA ILE A 129 -1.869 1.295 -9.491 1.00 0.00 C ATOM 2070 C ILE A 129 -1.444 2.724 -9.800 1.00 0.00 C ATOM 2071 O ILE A 129 -1.837 3.294 -10.819 1.00 0.00 O ATOM 2072 CB ILE A 129 -1.549 0.393 -10.699 1.00 0.00 C ATOM 2073 CG1 ILE A 129 -2.069 -1.023 -10.450 1.00 0.00 C ATOM 2074 CG2 ILE A 129 -0.051 0.375 -10.971 1.00 0.00 C ATOM 2075 CD1 ILE A 129 -1.816 -1.975 -11.597 1.00 0.00 C ATOM 0 H ILE A 129 -3.860 0.718 -9.809 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.311 0.935 -8.627 1.00 0.00 H new ATOM 0 HB ILE A 129 -2.049 0.797 -11.579 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.599 -1.420 -9.550 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.141 -0.978 -10.257 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.156 -0.267 -11.827 1.00 0.00 H new ATOM 0 HG22 ILE A 129 0.292 1.387 -11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.473 -0.008 -10.095 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.213 -2.959 -11.347 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -2.309 -1.602 -12.495 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.744 -2.051 -11.777 1.00 0.00 H new ATOM 2087 N GLY A 130 -0.643 3.302 -8.910 1.00 0.00 N ATOM 2088 CA GLY A 130 -0.181 4.663 -9.099 1.00 0.00 C ATOM 2089 C GLY A 130 -0.748 5.618 -8.064 1.00 0.00 C ATOM 2090 O GLY A 130 -0.259 6.738 -7.913 1.00 0.00 O ATOM 0 H GLY A 130 -0.306 2.850 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.908 4.684 -9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -0.462 5.004 -10.096 1.00 0.00 H new ATOM 2094 N ASP A 131 -1.780 5.178 -7.349 1.00 0.00 N ATOM 2095 CA ASP A 131 -2.410 6.004 -6.327 1.00 0.00 C ATOM 2096 C ASP A 131 -1.439 6.302 -5.193 1.00 0.00 C ATOM 2097 O ASP A 131 -0.436 5.608 -5.015 1.00 0.00 O ATOM 2098 CB ASP A 131 -3.660 5.311 -5.778 1.00 0.00 C ATOM 2099 CG ASP A 131 -4.932 5.814 -6.429 1.00 0.00 C ATOM 2100 OD1 ASP A 131 -5.255 5.350 -7.543 1.00 0.00 O ATOM 2101 OD2 ASP A 131 -5.607 6.675 -5.825 1.00 0.00 O ATOM 0 H ASP A 131 -2.197 4.254 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.701 6.948 -6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.575 4.236 -5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -3.718 5.472 -4.701 1.00 0.00 H new ATOM 2106 N TYR A 132 -1.734 7.346 -4.431 1.00 0.00 N ATOM 2107 CA TYR A 132 -0.882 7.746 -3.315 1.00 0.00 C ATOM 2108 C TYR A 132 -1.329 7.095 -2.008 1.00 0.00 C ATOM 2109 O TYR A 132 -2.324 7.500 -1.406 1.00 0.00 O ATOM 2110 CB TYR A 132 -0.883 9.266 -3.158 1.00 0.00 C ATOM 2111 CG TYR A 132 -0.168 9.994 -4.271 1.00 0.00 C ATOM 2112 CD1 TYR A 132 -0.659 9.973 -5.571 1.00 0.00 C ATOM 2113 CD2 TYR A 132 1.000 10.703 -4.023 1.00 0.00 C ATOM 2114 CE1 TYR A 132 -0.006 10.639 -6.591 1.00 0.00 C ATOM 2115 CE2 TYR A 132 1.658 11.373 -5.037 1.00 0.00 C ATOM 2116 CZ TYR A 132 1.151 11.337 -6.318 1.00 0.00 C ATOM 2117 OH TYR A 132 1.806 12.000 -7.331 1.00 0.00 O ATOM 0 H TYR A 132 -2.557 7.933 -4.564 1.00 0.00 H new ATOM 0 HA TYR A 132 0.129 7.407 -3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.914 9.616 -3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -0.415 9.524 -2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.566 9.427 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 132 1.401 10.731 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -0.400 10.613 -7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.564 11.922 -4.827 1.00 0.00 H new ATOM 0 HH TYR A 132 2.603 12.442 -6.971 1.00 0.00 H new ATOM 2127 N LEU A 133 -0.574 6.095 -1.569 1.00 0.00 N ATOM 2128 CA LEU A 133 -0.874 5.393 -0.325 1.00 0.00 C ATOM 2129 C LEU A 133 0.055 5.893 0.783 1.00 0.00 C ATOM 2130 O LEU A 133 1.260 5.669 0.711 1.00 0.00 O ATOM 2131 CB LEU A 133 -0.689 3.882 -0.524 1.00 0.00 C ATOM 2132 CG LEU A 133 -1.634 2.985 0.279 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -1.254 2.982 1.750 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -3.080 3.424 0.097 1.00 0.00 C ATOM 0 H LEU A 133 0.253 5.751 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 133 -1.908 5.588 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.815 3.656 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.337 3.623 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.538 1.967 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -1.939 2.338 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.236 2.609 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -1.314 3.997 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -3.734 2.772 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -3.194 4.452 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.349 3.363 -0.958 1.00 0.00 H new ATOM 2146 N ASP A 134 -0.491 6.579 1.794 1.00 0.00 N ATOM 2147 CA ASP A 134 0.326 7.102 2.873 1.00 0.00 C ATOM 2148 C ASP A 134 0.208 6.231 4.114 1.00 0.00 C ATOM 2149 O ASP A 134 -0.893 5.991 4.610 1.00 0.00 O ATOM 2150 CB ASP A 134 -0.110 8.527 3.200 1.00 0.00 C ATOM 2151 CG ASP A 134 0.964 9.316 3.919 1.00 0.00 C ATOM 2152 OD1 ASP A 134 1.442 8.841 4.970 1.00 0.00 O ATOM 2153 OD2 ASP A 134 1.326 10.406 3.432 1.00 0.00 O ATOM 0 H ASP A 134 -1.488 6.779 1.879 1.00 0.00 H new ATOM 0 HA ASP A 134 1.367 7.101 2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -0.377 9.042 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -1.007 8.495 3.818 1.00 0.00 H new ATOM 2158 N ILE A 135 1.346 5.770 4.617 1.00 0.00 N ATOM 2159 CA ILE A 135 1.363 4.936 5.810 1.00 0.00 C ATOM 2160 C ILE A 135 1.914 5.712 7.006 1.00 0.00 C ATOM 2161 O ILE A 135 3.012 6.262 6.952 1.00 0.00 O ATOM 2162 CB ILE A 135 2.200 3.655 5.587 1.00 0.00 C ATOM 2163 CG1 ILE A 135 1.524 2.761 4.542 1.00 0.00 C ATOM 2164 CG2 ILE A 135 2.391 2.897 6.896 1.00 0.00 C ATOM 2165 CD1 ILE A 135 2.346 2.565 3.287 1.00 0.00 C ATOM 0 H ILE A 135 2.266 5.959 4.219 1.00 0.00 H new ATOM 0 HA ILE A 135 0.334 4.644 6.020 1.00 0.00 H new ATOM 0 HB ILE A 135 3.184 3.945 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.319 1.787 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.562 3.197 4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 135 2.983 2.000 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 135 2.909 3.534 7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.418 2.615 7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 135 1.804 1.922 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.529 3.531 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.298 2.100 3.544 1.00 0.00 H new ATOM 2177 N ALA A 136 1.140 5.752 8.085 1.00 0.00 N ATOM 2178 CA ALA A 136 1.546 6.459 9.295 1.00 0.00 C ATOM 2179 C ALA A 136 2.099 5.489 10.335 1.00 0.00 C ATOM 2180 O ALA A 136 1.337 4.834 11.044 1.00 0.00 O ATOM 2181 CB ALA A 136 0.368 7.233 9.868 1.00 0.00 C ATOM 0 H ALA A 136 0.226 5.303 8.147 1.00 0.00 H new ATOM 0 HA ALA A 136 2.338 7.161 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.682 7.757 10.771 1.00 0.00 H new ATOM 0 HB2 ALA A 136 0.015 7.956 9.133 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.438 6.541 10.112 1.00 0.00 H new ATOM 2187 N ILE A 137 3.425 5.402 10.422 1.00 0.00 N ATOM 2188 CA ILE A 137 4.071 4.509 11.377 1.00 0.00 C ATOM 2189 C ILE A 137 4.245 5.183 12.736 1.00 0.00 C ATOM 2190 O ILE A 137 4.786 6.283 12.831 1.00 0.00 O ATOM 2191 CB ILE A 137 5.447 4.044 10.862 1.00 0.00 C ATOM 2192 CG1 ILE A 137 5.324 3.494 9.440 1.00 0.00 C ATOM 2193 CG2 ILE A 137 6.039 2.998 11.793 1.00 0.00 C ATOM 2194 CD1 ILE A 137 6.652 3.355 8.729 1.00 0.00 C ATOM 0 H ILE A 137 4.071 5.939 9.843 1.00 0.00 H new ATOM 0 HA ILE A 137 3.421 3.642 11.491 1.00 0.00 H new ATOM 0 HB ILE A 137 6.119 4.902 10.843 1.00 0.00 H new ATOM 0 HG12 ILE A 137 4.837 2.520 9.477 1.00 0.00 H new ATOM 0 HG13 ILE A 137 4.677 4.152 8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 137 7.011 2.681 11.414 1.00 0.00 H new ATOM 0 HG22 ILE A 137 6.160 3.424 12.789 1.00 0.00 H new ATOM 0 HG23 ILE A 137 5.372 2.138 11.845 1.00 0.00 H new ATOM 0 HD11 ILE A 137 6.488 2.960 7.726 1.00 0.00 H new ATOM 0 HD12 ILE A 137 7.132 4.331 8.660 1.00 0.00 H new ATOM 0 HD13 ILE A 137 7.294 2.674 9.287 1.00 0.00 H new ATOM 2206 N THR A 138 3.780 4.510 13.784 1.00 0.00 N ATOM 2207 CA THR A 138 3.878 5.036 15.143 1.00 0.00 C ATOM 2208 C THR A 138 4.763 4.143 16.015 1.00 0.00 C ATOM 2209 O THR A 138 4.390 3.014 16.331 1.00 0.00 O ATOM 2210 CB THR A 138 2.486 5.151 15.765 1.00 0.00 C ATOM 2211 OG1 THR A 138 1.509 5.395 14.770 1.00 0.00 O ATOM 2212 CG2 THR A 138 2.379 6.256 16.794 1.00 0.00 C ATOM 0 H THR A 138 3.330 3.597 13.719 1.00 0.00 H new ATOM 0 HA THR A 138 4.333 6.025 15.090 1.00 0.00 H new ATOM 0 HB THR A 138 2.313 4.196 16.261 1.00 0.00 H new ATOM 0 HG1 THR A 138 1.332 4.568 14.275 1.00 0.00 H new ATOM 0 HG21 THR A 138 1.366 6.282 17.195 1.00 0.00 H new ATOM 0 HG22 THR A 138 3.085 6.069 17.603 1.00 0.00 H new ATOM 0 HG23 THR A 138 2.609 7.213 16.325 1.00 0.00 H new ATOM 2220 N PRO A 139 5.949 4.635 16.419 1.00 0.00 N ATOM 2221 CA PRO A 139 6.876 3.864 17.258 1.00 0.00 C ATOM 2222 C PRO A 139 6.291 3.555 18.636 1.00 0.00 C ATOM 2223 O PRO A 139 5.352 4.217 19.082 1.00 0.00 O ATOM 2224 CB PRO A 139 8.098 4.779 17.388 1.00 0.00 C ATOM 2225 CG PRO A 139 7.591 6.146 17.093 1.00 0.00 C ATOM 2226 CD PRO A 139 6.482 5.971 16.096 1.00 0.00 C ATOM 0 HA PRO A 139 7.104 2.893 16.820 1.00 0.00 H new ATOM 0 HB2 PRO A 139 8.526 4.725 18.389 1.00 0.00 H new ATOM 0 HB3 PRO A 139 8.883 4.490 16.689 1.00 0.00 H new ATOM 0 HG2 PRO A 139 7.228 6.631 17.999 1.00 0.00 H new ATOM 0 HG3 PRO A 139 8.383 6.777 16.689 1.00 0.00 H new ATOM 0 HD2 PRO A 139 5.721 6.744 16.200 1.00 0.00 H new ATOM 0 HD3 PRO A 139 6.850 6.021 15.071 1.00 0.00 H new ATOM 2234 N PRO A 140 6.837 2.541 19.331 1.00 0.00 N ATOM 2235 CA PRO A 140 6.363 2.144 20.661 1.00 0.00 C ATOM 2236 C PRO A 140 6.653 3.195 21.729 1.00 0.00 C ATOM 2237 O PRO A 140 6.065 3.174 22.810 1.00 0.00 O ATOM 2238 CB PRO A 140 7.141 0.853 20.963 1.00 0.00 C ATOM 2239 CG PRO A 140 7.749 0.435 19.665 1.00 0.00 C ATOM 2240 CD PRO A 140 7.951 1.696 18.878 1.00 0.00 C ATOM 0 HA PRO A 140 5.280 2.017 20.672 1.00 0.00 H new ATOM 0 HB2 PRO A 140 7.909 1.026 21.717 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.480 0.079 21.353 1.00 0.00 H new ATOM 0 HG2 PRO A 140 8.696 -0.081 19.826 1.00 0.00 H new ATOM 0 HG3 PRO A 140 7.096 -0.257 19.133 1.00 0.00 H new ATOM 0 HD2 PRO A 140 8.918 2.154 19.088 1.00 0.00 H new ATOM 0 HD3 PRO A 140 7.911 1.514 17.804 1.00 0.00 H new