USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 564 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 33 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 44 GLN : amide:sc= -1.23 K(o=-1.2,f=-7.4!) USER MOD Single : A 51 LYS NZ :NH3+ -116:sc= -0.944 (180deg=-3.12!) USER MOD Single : A 54 THR OG1 : rot -107:sc= 1.04 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.91 X(o=-1.9,f=-2.3) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0204 K(o=-0.02,f=-2.1) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 85 CYS SG : rot -106:sc= -1.56 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -4.47! C(o=-4.5!,f=-7!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.28 X(o=-0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.583 -9.568 6.315 1.00 0.00 N ATOM 368 CA LEU A 29 9.083 -8.372 6.982 1.00 0.00 C ATOM 369 C LEU A 29 9.488 -8.679 8.420 1.00 0.00 C ATOM 370 O LEU A 29 8.680 -8.565 9.341 1.00 0.00 O ATOM 371 CB LEU A 29 8.020 -7.270 6.963 1.00 0.00 C ATOM 372 CG LEU A 29 7.667 -6.734 5.575 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.273 -6.125 5.576 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.698 -5.710 5.122 1.00 0.00 C ATOM 0 HA LEU A 29 9.965 -8.027 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.112 -7.654 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.368 -6.440 7.578 1.00 0.00 H new ATOM 0 HG LEU A 29 7.676 -7.566 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.040 -5.749 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.544 -6.885 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.235 -5.304 6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.432 -5.339 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.720 -4.879 5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.682 -6.178 5.081 1.00 0.00 H new ATOM 386 N PHE A 30 10.745 -9.069 8.605 1.00 0.00 N ATOM 387 CA PHE A 30 11.257 -9.393 9.931 1.00 0.00 C ATOM 388 C PHE A 30 12.215 -8.313 10.424 1.00 0.00 C ATOM 389 O PHE A 30 12.179 -7.924 11.592 1.00 0.00 O ATOM 390 CB PHE A 30 11.967 -10.749 9.909 1.00 0.00 C ATOM 391 CG PHE A 30 13.136 -10.799 8.967 1.00 0.00 C ATOM 392 CD1 PHE A 30 12.946 -11.070 7.621 1.00 0.00 C ATOM 393 CD2 PHE A 30 14.423 -10.576 9.427 1.00 0.00 C ATOM 394 CE1 PHE A 30 14.019 -11.118 6.752 1.00 0.00 C ATOM 395 CE2 PHE A 30 15.500 -10.622 8.562 1.00 0.00 C ATOM 396 CZ PHE A 30 15.298 -10.894 7.222 1.00 0.00 C ATOM 0 H PHE A 30 11.427 -9.168 7.853 1.00 0.00 H new ATOM 0 HA PHE A 30 10.411 -9.444 10.617 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.312 -10.986 10.916 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.251 -11.521 9.627 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.948 -11.246 7.247 1.00 0.00 H new ATOM 0 HD2 PHE A 30 14.587 -10.364 10.473 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.858 -11.331 5.706 1.00 0.00 H new ATOM 0 HE2 PHE A 30 16.499 -10.446 8.933 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.138 -10.931 6.544 1.00 0.00 H new ATOM 406 N ASP A 31 13.069 -7.833 9.528 1.00 0.00 N ATOM 407 CA ASP A 31 14.036 -6.797 9.872 1.00 0.00 C ATOM 408 C ASP A 31 13.343 -5.458 10.099 1.00 0.00 C ATOM 409 O ASP A 31 13.798 -4.641 10.901 1.00 0.00 O ATOM 410 CB ASP A 31 15.085 -6.660 8.765 1.00 0.00 C ATOM 411 CG ASP A 31 16.333 -5.941 9.237 1.00 0.00 C ATOM 412 OD1 ASP A 31 17.189 -6.593 9.872 1.00 0.00 O ATOM 413 OD2 ASP A 31 16.456 -4.727 8.972 1.00 0.00 O ATOM 0 H ASP A 31 13.112 -8.144 8.558 1.00 0.00 H new ATOM 0 HA ASP A 31 14.530 -7.091 10.798 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.356 -7.651 8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.653 -6.118 7.924 1.00 0.00 H new ATOM 418 N PHE A 32 12.241 -5.240 9.391 1.00 0.00 N ATOM 419 CA PHE A 32 11.485 -3.998 9.516 1.00 0.00 C ATOM 420 C PHE A 32 10.793 -3.917 10.872 1.00 0.00 C ATOM 421 O PHE A 32 10.161 -4.875 11.317 1.00 0.00 O ATOM 422 CB PHE A 32 10.450 -3.891 8.396 1.00 0.00 C ATOM 423 CG PHE A 32 11.045 -3.550 7.059 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.672 -4.522 6.297 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.978 -2.257 6.567 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.222 -4.211 5.068 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.527 -1.939 5.339 1.00 0.00 C ATOM 428 CZ PHE A 32 12.149 -2.918 4.587 1.00 0.00 C ATOM 0 H PHE A 32 11.851 -5.906 8.725 1.00 0.00 H new ATOM 0 HA PHE A 32 12.185 -3.167 9.435 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.915 -4.837 8.316 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.716 -3.131 8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.732 -5.535 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.491 -1.489 7.149 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.709 -4.978 4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.470 -0.927 4.967 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.577 -2.673 3.626 1.00 0.00 H new ATOM 438 N HIS A 33 10.918 -2.766 11.526 1.00 0.00 N ATOM 439 CA HIS A 33 10.303 -2.557 12.833 1.00 0.00 C ATOM 440 C HIS A 33 9.176 -1.533 12.747 1.00 0.00 C ATOM 441 O HIS A 33 9.183 -0.659 11.880 1.00 0.00 O ATOM 442 CB HIS A 33 11.355 -2.096 13.845 1.00 0.00 C ATOM 443 CG HIS A 33 11.828 -3.186 14.756 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.064 -3.013 16.101 1.00 0.00 N ATOM 445 CD2 HIS A 33 12.107 -4.487 14.491 1.00 0.00 C ATOM 446 CE1 HIS A 33 12.471 -4.188 16.602 1.00 0.00 C ATOM 447 NE2 HIS A 33 12.514 -5.116 15.665 1.00 0.00 N ATOM 0 H HIS A 33 11.439 -1.964 11.172 1.00 0.00 H new ATOM 0 HA HIS A 33 9.880 -3.505 13.165 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.210 -1.687 13.307 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.939 -1.287 14.445 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.026 -4.960 13.523 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.730 -4.353 17.637 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.788 -6.092 15.777 1.00 0.00 H new ATOM 455 N ILE A 34 8.210 -1.647 13.651 1.00 0.00 N ATOM 456 CA ILE A 34 7.076 -0.732 13.679 1.00 0.00 C ATOM 457 C ILE A 34 7.475 0.621 14.257 1.00 0.00 C ATOM 458 O ILE A 34 7.829 0.724 15.432 1.00 0.00 O ATOM 459 CB ILE A 34 5.909 -1.305 14.504 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.611 -2.744 14.077 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.671 -0.434 14.351 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.182 -2.870 12.632 1.00 0.00 C ATOM 0 H ILE A 34 8.190 -2.365 14.375 1.00 0.00 H new ATOM 0 HA ILE A 34 6.751 -0.602 12.647 1.00 0.00 H new ATOM 0 HB ILE A 34 6.197 -1.310 15.555 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.500 -3.353 14.238 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.827 -3.149 14.717 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.856 -0.854 14.941 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.890 0.575 14.701 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.379 -0.398 13.302 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.988 -3.917 12.400 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.275 -2.288 12.470 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.974 -2.496 11.983 1.00 0.00 H new ATOM 474 N GLY A 35 7.415 1.657 13.427 1.00 0.00 N ATOM 475 CA GLY A 35 7.773 2.990 13.875 1.00 0.00 C ATOM 476 C GLY A 35 9.039 3.504 13.219 1.00 0.00 C ATOM 477 O GLY A 35 9.769 4.304 13.803 1.00 0.00 O ATOM 0 H GLY A 35 7.125 1.597 12.451 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.953 3.674 13.659 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.906 2.982 14.957 1.00 0.00 H new ATOM 481 N ASP A 36 9.300 3.042 12.000 1.00 0.00 N ATOM 482 CA ASP A 36 10.487 3.459 11.262 1.00 0.00 C ATOM 483 C ASP A 36 10.111 3.974 9.876 1.00 0.00 C ATOM 484 O ASP A 36 9.030 3.681 9.366 1.00 0.00 O ATOM 485 CB ASP A 36 11.472 2.295 11.139 1.00 0.00 C ATOM 486 CG ASP A 36 12.583 2.366 12.168 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.568 3.096 11.929 1.00 0.00 O ATOM 488 OD2 ASP A 36 12.467 1.693 13.214 1.00 0.00 O ATOM 0 H ASP A 36 8.706 2.379 11.503 1.00 0.00 H new ATOM 0 HA ASP A 36 10.963 4.270 11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.934 1.354 11.254 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.906 2.294 10.139 1.00 0.00 H new ATOM 493 N ARG A 37 11.012 4.742 9.272 1.00 0.00 N ATOM 494 CA ARG A 37 10.775 5.298 7.944 1.00 0.00 C ATOM 495 C ARG A 37 10.779 4.200 6.886 1.00 0.00 C ATOM 496 O ARG A 37 11.658 3.338 6.875 1.00 0.00 O ATOM 497 CB ARG A 37 11.835 6.349 7.611 1.00 0.00 C ATOM 498 CG ARG A 37 11.429 7.764 7.988 1.00 0.00 C ATOM 499 CD ARG A 37 12.183 8.800 7.168 1.00 0.00 C ATOM 500 NE ARG A 37 11.290 9.818 6.618 1.00 0.00 N ATOM 501 CZ ARG A 37 11.643 10.674 5.662 1.00 0.00 C ATOM 502 NH1 ARG A 37 12.867 10.640 5.149 1.00 0.00 N ATOM 503 NH2 ARG A 37 10.770 11.568 5.219 1.00 0.00 N ATOM 0 H ARG A 37 11.912 4.994 9.680 1.00 0.00 H new ATOM 0 HA ARG A 37 9.793 5.772 7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.761 6.096 8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.047 6.313 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.357 7.888 7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.621 7.928 9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.937 9.278 7.793 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.712 8.304 6.354 1.00 0.00 H new ATOM 0 HE ARG A 37 10.341 9.876 6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.543 9.955 5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.131 11.299 4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.829 11.599 5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.040 12.224 4.486 1.00 0.00 H new ATOM 517 N VAL A 38 9.791 4.236 5.998 1.00 0.00 N ATOM 518 CA VAL A 38 9.681 3.244 4.936 1.00 0.00 C ATOM 519 C VAL A 38 9.134 3.866 3.656 1.00 0.00 C ATOM 520 O VAL A 38 8.135 4.586 3.682 1.00 0.00 O ATOM 521 CB VAL A 38 8.772 2.072 5.353 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.483 1.173 6.352 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.463 2.591 5.928 1.00 0.00 C ATOM 0 H VAL A 38 9.055 4.942 5.993 1.00 0.00 H new ATOM 0 HA VAL A 38 10.687 2.866 4.752 1.00 0.00 H new ATOM 0 HB VAL A 38 8.544 1.480 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.825 0.351 6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.390 0.772 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.744 1.750 7.239 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.834 1.749 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.669 3.207 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.947 3.189 5.176 1.00 0.00 H new ATOM 533 N LEU A 39 9.793 3.582 2.539 1.00 0.00 N ATOM 534 CA LEU A 39 9.371 4.112 1.247 1.00 0.00 C ATOM 535 C LEU A 39 8.548 3.082 0.482 1.00 0.00 C ATOM 536 O LEU A 39 9.029 1.990 0.177 1.00 0.00 O ATOM 537 CB LEU A 39 10.591 4.526 0.420 1.00 0.00 C ATOM 538 CG LEU A 39 10.316 5.578 -0.656 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.637 6.797 -0.051 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.609 5.977 -1.352 1.00 0.00 C ATOM 0 H LEU A 39 10.621 2.988 2.501 1.00 0.00 H new ATOM 0 HA LEU A 39 8.748 4.988 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.356 4.910 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.005 3.638 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 39 9.645 5.145 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.450 7.534 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.691 6.499 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.283 7.232 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.396 6.726 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.303 6.391 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.056 5.100 -1.820 1.00 0.00 H new ATOM 552 N ILE A 40 7.304 3.435 0.174 1.00 0.00 N ATOM 553 CA ILE A 40 6.415 2.538 -0.553 1.00 0.00 C ATOM 554 C ILE A 40 6.666 2.616 -2.056 1.00 0.00 C ATOM 555 O ILE A 40 6.454 3.657 -2.678 1.00 0.00 O ATOM 556 CB ILE A 40 4.936 2.862 -0.272 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.689 2.954 1.235 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.032 1.811 -0.900 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.424 3.704 1.596 1.00 0.00 C ATOM 0 H ILE A 40 6.890 4.335 0.417 1.00 0.00 H new ATOM 0 HA ILE A 40 6.629 1.528 -0.203 1.00 0.00 H new ATOM 0 HB ILE A 40 4.701 3.828 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.635 1.947 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.540 3.446 1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.990 2.056 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.191 1.791 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.266 0.832 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.313 3.730 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.483 4.723 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.564 3.200 1.155 1.00 0.00 H new ATOM 571 N GLY A 41 7.121 1.509 -2.631 1.00 0.00 N ATOM 572 CA GLY A 41 7.395 1.471 -4.056 1.00 0.00 C ATOM 573 C GLY A 41 8.448 2.479 -4.473 1.00 0.00 C ATOM 574 O GLY A 41 8.531 2.851 -5.643 1.00 0.00 O ATOM 0 H GLY A 41 7.305 0.636 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.726 0.470 -4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.474 1.665 -4.605 1.00 0.00 H new ATOM 578 N ASN A 42 9.257 2.923 -3.514 1.00 0.00 N ATOM 579 CA ASN A 42 10.311 3.895 -3.791 1.00 0.00 C ATOM 580 C ASN A 42 9.738 5.154 -4.436 1.00 0.00 C ATOM 581 O ASN A 42 10.190 5.582 -5.499 1.00 0.00 O ATOM 582 CB ASN A 42 11.374 3.276 -4.701 1.00 0.00 C ATOM 583 CG ASN A 42 12.456 2.557 -3.919 1.00 0.00 C ATOM 584 OD1 ASN A 42 12.320 1.379 -3.589 1.00 0.00 O ATOM 585 ND2 ASN A 42 13.539 3.265 -3.619 1.00 0.00 N ATOM 0 H ASN A 42 9.203 2.626 -2.540 1.00 0.00 H new ATOM 0 HA ASN A 42 10.772 4.176 -2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.898 2.575 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.828 4.058 -5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.301 2.835 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.609 4.239 -3.913 1.00 0.00 H new ATOM 592 N VAL A 43 8.738 5.743 -3.787 1.00 0.00 N ATOM 593 CA VAL A 43 8.104 6.952 -4.299 1.00 0.00 C ATOM 594 C VAL A 43 7.195 7.586 -3.250 1.00 0.00 C ATOM 595 O VAL A 43 7.167 8.808 -3.097 1.00 0.00 O ATOM 596 CB VAL A 43 7.283 6.658 -5.570 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.161 5.674 -5.272 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.728 7.947 -6.160 1.00 0.00 C ATOM 0 H VAL A 43 8.350 5.403 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 43 8.904 7.650 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 43 7.945 6.203 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.595 5.481 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.585 4.740 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.499 6.095 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.152 7.718 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.083 8.434 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.551 8.613 -6.418 1.00 0.00 H new ATOM 608 N GLN A 44 6.452 6.751 -2.530 1.00 0.00 N ATOM 609 CA GLN A 44 5.542 7.233 -1.499 1.00 0.00 C ATOM 610 C GLN A 44 6.167 7.100 -0.111 1.00 0.00 C ATOM 611 O GLN A 44 6.167 6.017 0.476 1.00 0.00 O ATOM 612 CB GLN A 44 4.225 6.457 -1.552 1.00 0.00 C ATOM 613 CG GLN A 44 3.217 7.036 -2.530 1.00 0.00 C ATOM 614 CD GLN A 44 1.847 7.233 -1.912 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.569 6.739 -0.820 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.981 7.958 -2.611 1.00 0.00 N ATOM 0 H GLN A 44 6.463 5.737 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 44 5.345 8.288 -1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.433 5.423 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.783 6.439 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.585 7.993 -2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.131 6.373 -3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.254 8.349 -3.513 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.043 8.124 -2.246 1.00 0.00 H new ATOM 625 N PRO A 45 6.708 8.202 0.440 1.00 0.00 N ATOM 626 CA PRO A 45 7.333 8.196 1.766 1.00 0.00 C ATOM 627 C PRO A 45 6.309 8.065 2.889 1.00 0.00 C ATOM 628 O PRO A 45 5.210 8.613 2.805 1.00 0.00 O ATOM 629 CB PRO A 45 8.031 9.556 1.835 1.00 0.00 C ATOM 630 CG PRO A 45 7.239 10.429 0.926 1.00 0.00 C ATOM 631 CD PRO A 45 6.752 9.539 -0.185 1.00 0.00 C ATOM 0 HA PRO A 45 8.006 7.349 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.039 9.947 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.070 9.486 1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.403 10.886 1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.851 11.242 0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.770 9.847 -0.545 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.426 9.560 -1.041 1.00 0.00 H new ATOM 639 N GLY A 46 6.678 7.337 3.937 1.00 0.00 N ATOM 640 CA GLY A 46 5.780 7.148 5.061 1.00 0.00 C ATOM 641 C GLY A 46 6.450 6.455 6.230 1.00 0.00 C ATOM 642 O GLY A 46 7.673 6.316 6.261 1.00 0.00 O ATOM 0 H GLY A 46 7.583 6.875 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.401 8.117 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.920 6.561 4.740 1.00 0.00 H new ATOM 646 N ILE A 47 5.648 6.019 7.197 1.00 0.00 N ATOM 647 CA ILE A 47 6.171 5.336 8.375 1.00 0.00 C ATOM 648 C ILE A 47 5.495 3.985 8.573 1.00 0.00 C ATOM 649 O ILE A 47 4.274 3.869 8.470 1.00 0.00 O ATOM 650 CB ILE A 47 5.979 6.184 9.648 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.468 7.615 9.413 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.711 5.553 10.821 1.00 0.00 C ATOM 653 CD1 ILE A 47 6.206 8.541 10.581 1.00 0.00 C ATOM 0 H ILE A 47 4.634 6.127 7.188 1.00 0.00 H new ATOM 0 HA ILE A 47 7.237 5.185 8.205 1.00 0.00 H new ATOM 0 HB ILE A 47 4.916 6.219 9.886 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.538 7.596 9.208 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.980 8.016 8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.565 6.164 11.712 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.318 4.552 10.999 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.775 5.490 10.594 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.578 9.538 10.345 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.134 8.590 10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.717 8.163 11.467 1.00 0.00 H new ATOM 665 N LEU A 48 6.296 2.963 8.858 1.00 0.00 N ATOM 666 CA LEU A 48 5.775 1.618 9.071 1.00 0.00 C ATOM 667 C LEU A 48 5.020 1.532 10.394 1.00 0.00 C ATOM 668 O LEU A 48 5.615 1.616 11.468 1.00 0.00 O ATOM 669 CB LEU A 48 6.914 0.598 9.054 1.00 0.00 C ATOM 670 CG LEU A 48 6.479 -0.860 9.212 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.779 -1.347 7.954 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.678 -1.742 9.532 1.00 0.00 C ATOM 0 H LEU A 48 7.309 3.041 8.947 1.00 0.00 H new ATOM 0 HA LEU A 48 5.082 1.391 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.458 0.699 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.612 0.842 9.855 1.00 0.00 H new ATOM 0 HG LEU A 48 5.775 -0.921 10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.477 -2.386 8.085 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.898 -0.733 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.460 -1.271 7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.350 -2.776 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.405 -1.675 8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.138 -1.407 10.462 1.00 0.00 H new ATOM 684 N ARG A 49 3.704 1.364 10.308 1.00 0.00 N ATOM 685 CA ARG A 49 2.865 1.267 11.497 1.00 0.00 C ATOM 686 C ARG A 49 2.423 -0.172 11.738 1.00 0.00 C ATOM 687 O ARG A 49 2.212 -0.583 12.879 1.00 0.00 O ATOM 688 CB ARG A 49 1.641 2.172 11.357 1.00 0.00 C ATOM 689 CG ARG A 49 1.982 3.651 11.278 1.00 0.00 C ATOM 690 CD ARG A 49 2.506 4.174 12.605 1.00 0.00 C ATOM 691 NE ARG A 49 1.443 4.755 13.422 1.00 0.00 N ATOM 692 CZ ARG A 49 1.556 4.988 14.728 1.00 0.00 C ATOM 693 NH1 ARG A 49 2.681 4.691 15.368 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.541 5.520 15.396 1.00 0.00 N ATOM 0 H ARG A 49 3.196 1.292 9.427 1.00 0.00 H new ATOM 0 HA ARG A 49 3.455 1.593 12.354 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.090 1.887 10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.978 2.006 12.206 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.730 3.812 10.502 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.095 4.215 10.988 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.981 3.361 13.153 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.274 4.926 12.421 1.00 0.00 H new ATOM 0 HE ARG A 49 0.563 4.996 12.965 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.465 4.282 14.859 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.762 4.872 16.369 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.325 5.750 14.909 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.627 5.699 16.397 1.00 0.00 H new ATOM 708 N PHE A 50 2.281 -0.932 10.657 1.00 0.00 N ATOM 709 CA PHE A 50 1.861 -2.325 10.754 1.00 0.00 C ATOM 710 C PHE A 50 2.531 -3.171 9.676 1.00 0.00 C ATOM 711 O PHE A 50 3.063 -2.643 8.700 1.00 0.00 O ATOM 712 CB PHE A 50 0.339 -2.425 10.626 1.00 0.00 C ATOM 713 CG PHE A 50 -0.187 -3.826 10.757 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.107 -4.501 11.965 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.762 -4.469 9.672 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.591 -5.789 12.088 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.247 -5.758 9.790 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.161 -6.418 11.000 1.00 0.00 C ATOM 0 H PHE A 50 2.450 -0.607 9.705 1.00 0.00 H new ATOM 0 HA PHE A 50 2.165 -2.707 11.729 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.123 -1.800 11.390 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.037 -2.022 9.659 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.339 -4.014 12.820 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.832 -3.957 8.724 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.523 -6.303 13.035 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.693 -6.248 8.937 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.539 -7.425 11.095 1.00 0.00 H new ATOM 728 N LYS A 51 2.503 -4.489 9.860 1.00 0.00 N ATOM 729 CA LYS A 51 3.108 -5.408 8.903 1.00 0.00 C ATOM 730 C LYS A 51 2.839 -6.857 9.298 1.00 0.00 C ATOM 731 O LYS A 51 3.407 -7.361 10.267 1.00 0.00 O ATOM 732 CB LYS A 51 4.614 -5.165 8.809 1.00 0.00 C ATOM 733 CG LYS A 51 5.302 -5.077 10.162 1.00 0.00 C ATOM 734 CD LYS A 51 6.212 -6.270 10.407 1.00 0.00 C ATOM 735 CE LYS A 51 6.793 -6.250 11.811 1.00 0.00 C ATOM 736 NZ LYS A 51 5.729 -6.265 12.853 1.00 0.00 N ATOM 0 H LYS A 51 2.068 -4.943 10.663 1.00 0.00 H new ATOM 0 HA LYS A 51 2.658 -5.225 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.068 -5.970 8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.791 -4.240 8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.885 -4.157 10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.551 -5.024 10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.652 -7.193 10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.022 -6.267 9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.446 -7.113 11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.411 -5.361 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.764 -5.380 13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.798 -6.355 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.881 -7.071 13.492 1.00 0.00 H new ATOM 750 N GLY A 52 1.970 -7.520 8.542 1.00 0.00 N ATOM 751 CA GLY A 52 1.643 -8.905 8.830 1.00 0.00 C ATOM 752 C GLY A 52 0.363 -9.351 8.151 1.00 0.00 C ATOM 753 O GLY A 52 -0.185 -8.636 7.313 1.00 0.00 O ATOM 0 H GLY A 52 1.487 -7.124 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.464 -9.544 8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.544 -9.035 9.908 1.00 0.00 H new ATOM 757 N GLU A 53 -0.113 -10.538 8.514 1.00 0.00 N ATOM 758 CA GLU A 53 -1.336 -11.081 7.934 1.00 0.00 C ATOM 759 C GLU A 53 -2.534 -10.198 8.267 1.00 0.00 C ATOM 760 O GLU A 53 -2.540 -9.498 9.279 1.00 0.00 O ATOM 761 CB GLU A 53 -1.579 -12.503 8.444 1.00 0.00 C ATOM 762 CG GLU A 53 -0.438 -13.461 8.140 1.00 0.00 C ATOM 763 CD GLU A 53 -0.075 -14.331 9.326 1.00 0.00 C ATOM 764 OE1 GLU A 53 0.211 -13.773 10.407 1.00 0.00 O ATOM 765 OE2 GLU A 53 -0.077 -15.571 9.176 1.00 0.00 O ATOM 0 H GLU A 53 0.330 -11.142 9.207 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.215 -11.106 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.739 -12.471 9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.495 -12.889 7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.717 -14.097 7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.438 -12.890 7.831 1.00 0.00 H new ATOM 772 N THR A 54 -3.547 -10.234 7.406 1.00 0.00 N ATOM 773 CA THR A 54 -4.751 -9.437 7.608 1.00 0.00 C ATOM 774 C THR A 54 -6.002 -10.300 7.480 1.00 0.00 C ATOM 775 O THR A 54 -5.916 -11.519 7.331 1.00 0.00 O ATOM 776 CB THR A 54 -4.803 -8.290 6.598 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.963 -8.787 5.282 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.563 -7.422 6.613 1.00 0.00 C ATOM 0 H THR A 54 -3.557 -10.807 6.562 1.00 0.00 H new ATOM 0 HA THR A 54 -4.719 -9.023 8.616 1.00 0.00 H new ATOM 0 HB THR A 54 -5.657 -7.682 6.897 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.119 -8.694 4.792 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.666 -6.628 5.873 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.439 -6.982 7.603 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.690 -8.030 6.374 1.00 0.00 H new ATOM 786 N SER A 55 -7.165 -9.659 7.538 1.00 0.00 N ATOM 787 CA SER A 55 -8.435 -10.368 7.427 1.00 0.00 C ATOM 788 C SER A 55 -9.023 -10.214 6.028 1.00 0.00 C ATOM 789 O SER A 55 -9.702 -11.111 5.528 1.00 0.00 O ATOM 790 CB SER A 55 -9.425 -9.849 8.471 1.00 0.00 C ATOM 791 OG SER A 55 -9.361 -10.615 9.661 1.00 0.00 O ATOM 0 H SER A 55 -7.254 -8.650 7.661 1.00 0.00 H new ATOM 0 HA SER A 55 -8.250 -11.427 7.608 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.207 -8.805 8.695 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.436 -9.884 8.066 1.00 0.00 H new ATOM 0 HG SER A 55 -10.002 -10.262 10.312 1.00 0.00 H new ATOM 797 N PHE A 56 -8.759 -9.071 5.403 1.00 0.00 N ATOM 798 CA PHE A 56 -9.262 -8.801 4.061 1.00 0.00 C ATOM 799 C PHE A 56 -8.458 -9.564 3.014 1.00 0.00 C ATOM 800 O PHE A 56 -8.987 -9.956 1.975 1.00 0.00 O ATOM 801 CB PHE A 56 -9.208 -7.301 3.768 1.00 0.00 C ATOM 802 CG PHE A 56 -7.829 -6.716 3.880 1.00 0.00 C ATOM 803 CD1 PHE A 56 -6.932 -6.818 2.830 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.431 -6.063 5.036 1.00 0.00 C ATOM 805 CE1 PHE A 56 -5.662 -6.281 2.930 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.163 -5.524 5.142 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.277 -5.634 4.088 1.00 0.00 C ATOM 0 H PHE A 56 -8.200 -8.318 5.804 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.298 -9.138 4.013 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.589 -7.122 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -9.872 -6.780 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.228 -7.323 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.120 -5.974 5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.972 -6.367 2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.865 -5.017 6.048 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.285 -5.215 4.169 1.00 0.00 H new ATOM 817 N ALA A 57 -7.175 -9.772 3.296 1.00 0.00 N ATOM 818 CA ALA A 57 -6.298 -10.488 2.379 1.00 0.00 C ATOM 819 C ALA A 57 -5.375 -11.440 3.133 1.00 0.00 C ATOM 820 O ALA A 57 -5.355 -11.456 4.363 1.00 0.00 O ATOM 821 CB ALA A 57 -5.483 -9.505 1.551 1.00 0.00 C ATOM 0 H ALA A 57 -6.721 -9.454 4.152 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.921 -11.081 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.832 -10.054 0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.156 -8.869 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.877 -8.887 2.213 1.00 0.00 H new ATOM 827 N LYS A 58 -4.613 -12.233 2.387 1.00 0.00 N ATOM 828 CA LYS A 58 -3.687 -13.187 2.985 1.00 0.00 C ATOM 829 C LYS A 58 -2.242 -12.803 2.687 1.00 0.00 C ATOM 830 O LYS A 58 -1.965 -12.085 1.726 1.00 0.00 O ATOM 831 CB LYS A 58 -3.971 -14.598 2.464 1.00 0.00 C ATOM 832 CG LYS A 58 -3.861 -15.674 3.533 1.00 0.00 C ATOM 833 CD LYS A 58 -2.505 -16.360 3.496 1.00 0.00 C ATOM 834 CE LYS A 58 -1.982 -16.636 4.896 1.00 0.00 C ATOM 835 NZ LYS A 58 -0.632 -17.265 4.871 1.00 0.00 N ATOM 0 H LYS A 58 -4.619 -12.234 1.367 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.832 -13.169 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.973 -14.624 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.274 -14.826 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.018 -15.229 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.648 -16.414 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.585 -17.297 2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.794 -15.734 2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.937 -15.703 5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.678 -17.291 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.311 -17.437 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.679 -18.168 4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.038 -16.630 4.393 1.00 0.00 H new ATOM 849 N GLY A 59 -1.323 -13.285 3.517 1.00 0.00 N ATOM 850 CA GLY A 59 0.083 -12.981 3.326 1.00 0.00 C ATOM 851 C GLY A 59 0.577 -11.902 4.269 1.00 0.00 C ATOM 852 O GLY A 59 0.324 -11.956 5.472 1.00 0.00 O ATOM 0 H GLY A 59 -1.527 -13.881 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.671 -13.887 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.246 -12.662 2.297 1.00 0.00 H new ATOM 856 N PHE A 60 1.284 -10.919 3.721 1.00 0.00 N ATOM 857 CA PHE A 60 1.815 -9.821 4.521 1.00 0.00 C ATOM 858 C PHE A 60 1.288 -8.481 4.018 1.00 0.00 C ATOM 859 O PHE A 60 1.173 -8.260 2.813 1.00 0.00 O ATOM 860 CB PHE A 60 3.345 -9.829 4.485 1.00 0.00 C ATOM 861 CG PHE A 60 3.971 -10.401 5.725 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.158 -11.767 5.856 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.372 -9.570 6.759 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.734 -12.295 6.996 1.00 0.00 C ATOM 865 CE2 PHE A 60 4.948 -10.092 7.901 1.00 0.00 C ATOM 866 CZ PHE A 60 5.129 -11.456 8.020 1.00 0.00 C ATOM 0 H PHE A 60 1.502 -10.860 2.726 1.00 0.00 H new ATOM 0 HA PHE A 60 1.484 -9.959 5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.677 -10.405 3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.702 -8.809 4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.850 -12.427 5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.233 -8.503 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.875 -13.362 7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.256 -9.434 8.700 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.579 -11.866 8.912 1.00 0.00 H new ATOM 876 N TRP A 61 0.967 -7.591 4.951 1.00 0.00 N ATOM 877 CA TRP A 61 0.452 -6.273 4.604 1.00 0.00 C ATOM 878 C TRP A 61 1.019 -5.206 5.534 1.00 0.00 C ATOM 879 O TRP A 61 0.724 -5.189 6.729 1.00 0.00 O ATOM 880 CB TRP A 61 -1.076 -6.266 4.669 1.00 0.00 C ATOM 881 CG TRP A 61 -1.717 -7.108 3.608 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.151 -8.396 3.733 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.992 -6.720 2.258 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.680 -8.833 2.543 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.594 -7.822 1.621 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.789 -5.547 1.524 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.994 -7.784 0.288 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -2.186 -5.511 0.201 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.784 -6.624 -0.405 1.00 0.00 C ATOM 0 H TRP A 61 1.055 -7.759 5.953 1.00 0.00 H new ATOM 0 HA TRP A 61 0.765 -6.044 3.585 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.393 -6.624 5.648 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.432 -5.240 4.574 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.088 -8.986 4.636 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.073 -9.759 2.373 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.330 -4.684 1.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.454 -8.641 -0.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -2.033 -4.611 -0.375 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.085 -6.564 -1.440 1.00 0.00 H new ATOM 900 N ALA A 62 1.837 -4.320 4.978 1.00 0.00 N ATOM 901 CA ALA A 62 2.449 -3.252 5.758 1.00 0.00 C ATOM 902 C ALA A 62 1.594 -1.988 5.732 1.00 0.00 C ATOM 903 O ALA A 62 1.263 -1.474 4.663 1.00 0.00 O ATOM 904 CB ALA A 62 3.848 -2.955 5.240 1.00 0.00 C ATOM 0 H ALA A 62 2.091 -4.320 3.990 1.00 0.00 H new ATOM 0 HA ALA A 62 2.519 -3.589 6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.293 -2.155 5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.463 -3.851 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.791 -2.646 4.196 1.00 0.00 H new ATOM 910 N GLY A 63 1.244 -1.492 6.913 1.00 0.00 N ATOM 911 CA GLY A 63 0.435 -0.293 7.004 1.00 0.00 C ATOM 912 C GLY A 63 1.274 0.960 7.158 1.00 0.00 C ATOM 913 O GLY A 63 1.514 1.422 8.274 1.00 0.00 O ATOM 0 H GLY A 63 1.507 -1.900 7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.182 -0.206 6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.243 -0.379 7.853 1.00 0.00 H new ATOM 917 N VAL A 64 1.725 1.507 6.035 1.00 0.00 N ATOM 918 CA VAL A 64 2.546 2.711 6.048 1.00 0.00 C ATOM 919 C VAL A 64 1.694 3.957 6.258 1.00 0.00 C ATOM 920 O VAL A 64 0.587 4.062 5.729 1.00 0.00 O ATOM 921 CB VAL A 64 3.342 2.862 4.737 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.325 4.017 4.837 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.062 1.565 4.399 1.00 0.00 C ATOM 0 H VAL A 64 1.536 1.136 5.104 1.00 0.00 H new ATOM 0 HA VAL A 64 3.244 2.608 6.879 1.00 0.00 H new ATOM 0 HB VAL A 64 2.642 3.083 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.877 4.107 3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.781 4.942 5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.023 3.831 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.619 1.689 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.751 1.311 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.332 0.764 4.280 1.00 0.00 H new ATOM 933 N GLU A 65 2.217 4.901 7.036 1.00 0.00 N ATOM 934 CA GLU A 65 1.505 6.142 7.316 1.00 0.00 C ATOM 935 C GLU A 65 2.132 7.311 6.563 1.00 0.00 C ATOM 936 O GLU A 65 3.228 7.759 6.896 1.00 0.00 O ATOM 937 CB GLU A 65 1.509 6.426 8.819 1.00 0.00 C ATOM 938 CG GLU A 65 0.471 7.452 9.246 1.00 0.00 C ATOM 939 CD GLU A 65 1.071 8.823 9.487 1.00 0.00 C ATOM 940 OE1 GLU A 65 2.102 8.905 10.187 1.00 0.00 O ATOM 941 OE2 GLU A 65 0.510 9.815 8.977 1.00 0.00 O ATOM 0 H GLU A 65 3.131 4.829 7.483 1.00 0.00 H new ATOM 0 HA GLU A 65 0.475 6.027 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.330 5.495 9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.498 6.778 9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.298 7.526 8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.020 7.109 10.157 1.00 0.00 H new ATOM 948 N LEU A 66 1.428 7.798 5.547 1.00 0.00 N ATOM 949 CA LEU A 66 1.916 8.914 4.746 1.00 0.00 C ATOM 950 C LEU A 66 1.841 10.221 5.529 1.00 0.00 C ATOM 951 O LEU A 66 0.958 10.403 6.367 1.00 0.00 O ATOM 952 CB LEU A 66 1.107 9.035 3.453 1.00 0.00 C ATOM 953 CG LEU A 66 0.968 7.737 2.654 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.125 7.966 1.409 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.339 7.195 2.279 1.00 0.00 C ATOM 0 H LEU A 66 0.518 7.438 5.259 1.00 0.00 H new ATOM 0 HA LEU A 66 2.959 8.719 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.110 9.401 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.576 9.787 2.818 1.00 0.00 H new ATOM 0 HG LEU A 66 0.465 6.999 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.037 7.033 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.867 8.311 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.601 8.719 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.222 6.272 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.867 7.930 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.911 6.994 3.185 1.00 0.00 H new ATOM 967 N ASP A 67 2.771 11.128 5.249 1.00 0.00 N ATOM 968 CA ASP A 67 2.810 12.418 5.927 1.00 0.00 C ATOM 969 C ASP A 67 1.677 13.319 5.448 1.00 0.00 C ATOM 970 O ASP A 67 1.186 14.167 6.194 1.00 0.00 O ATOM 971 CB ASP A 67 4.157 13.103 5.689 1.00 0.00 C ATOM 972 CG ASP A 67 5.264 12.512 6.538 1.00 0.00 C ATOM 973 OD1 ASP A 67 5.820 11.465 6.146 1.00 0.00 O ATOM 974 OD2 ASP A 67 5.575 13.095 7.598 1.00 0.00 O ATOM 0 H ASP A 67 3.508 10.993 4.557 1.00 0.00 H new ATOM 0 HA ASP A 67 2.683 12.242 6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.425 13.016 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.064 14.167 5.907 1.00 0.00 H new ATOM 979 N LYS A 68 1.265 13.131 4.198 1.00 0.00 N ATOM 980 CA LYS A 68 0.188 13.926 3.619 1.00 0.00 C ATOM 981 C LYS A 68 -1.041 13.062 3.347 1.00 0.00 C ATOM 982 O LYS A 68 -0.948 11.836 3.297 1.00 0.00 O ATOM 983 CB LYS A 68 0.656 14.589 2.322 1.00 0.00 C ATOM 984 CG LYS A 68 1.357 15.921 2.537 1.00 0.00 C ATOM 985 CD LYS A 68 2.861 15.796 2.360 1.00 0.00 C ATOM 986 CE LYS A 68 3.271 16.008 0.911 1.00 0.00 C ATOM 987 NZ LYS A 68 3.823 17.373 0.683 1.00 0.00 N ATOM 0 H LYS A 68 1.661 12.435 3.567 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.085 14.699 4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.333 13.912 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.205 14.742 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.967 16.656 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.137 16.291 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.365 16.527 2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.187 14.810 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.017 15.264 0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.408 15.853 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.090 17.477 -0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.103 18.083 0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.662 17.513 1.282 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.214 13.693 3.165 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.463 12.974 2.897 1.00 0.00 C ATOM 1003 C PRO A 69 -3.473 12.331 1.513 1.00 0.00 C ATOM 1004 O PRO A 69 -4.239 12.731 0.636 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.532 14.065 2.991 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.811 15.330 2.678 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.414 15.154 3.208 1.00 0.00 C ATOM 0 HA PRO A 69 -3.618 12.151 3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.343 13.886 2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -4.977 14.099 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.800 15.517 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.301 16.184 3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.682 15.678 2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.317 15.543 4.221 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.617 11.332 1.325 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.524 10.633 0.049 1.00 0.00 C ATOM 1017 C GLU A 70 -3.071 9.212 0.161 1.00 0.00 C ATOM 1018 O GLU A 70 -3.504 8.624 -0.830 1.00 0.00 O ATOM 1019 CB GLU A 70 -1.072 10.595 -0.430 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.615 11.884 -1.093 1.00 0.00 C ATOM 1021 CD GLU A 70 -0.831 11.874 -2.593 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -0.967 10.774 -3.168 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -0.862 12.968 -3.196 1.00 0.00 O ATOM 0 H GLU A 70 -1.977 10.988 2.041 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.127 11.177 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.423 10.384 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.952 9.772 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.155 12.724 -0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.443 12.042 -0.883 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.047 8.664 1.373 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.542 7.317 1.588 1.00 0.00 C ATOM 1032 C GLY A 71 -5.022 7.184 1.286 1.00 0.00 C ATOM 1033 O GLY A 71 -5.524 7.782 0.334 1.00 0.00 O ATOM 0 H GLY A 71 -2.694 9.129 2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.983 6.624 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.359 7.027 2.623 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.721 6.396 2.096 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.152 6.185 1.909 1.00 0.00 C ATOM 1039 C ASN A 72 -7.819 5.760 3.214 1.00 0.00 C ATOM 1040 O ASN A 72 -8.892 6.254 3.564 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.395 5.127 0.832 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.865 5.549 -0.524 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -7.359 6.503 -1.127 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -5.855 4.839 -1.012 1.00 0.00 N ATOM 0 H ASN A 72 -5.320 5.893 2.888 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.593 7.130 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.919 4.193 1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.464 4.929 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.457 5.076 -1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.477 4.057 -0.478 1.00 0.00 H new ATOM 1051 N ASN A 73 -7.180 4.839 3.928 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.714 4.346 5.192 1.00 0.00 C ATOM 1053 C ASN A 73 -7.115 5.105 6.372 1.00 0.00 C ATOM 1054 O ASN A 73 -6.204 5.915 6.204 1.00 0.00 O ATOM 1055 CB ASN A 73 -7.432 2.849 5.338 1.00 0.00 C ATOM 1056 CG ASN A 73 -8.091 2.028 4.247 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -9.312 1.873 4.222 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -7.283 1.496 3.338 1.00 0.00 N ATOM 0 H ASN A 73 -6.292 4.419 3.653 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.792 4.509 5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.355 2.681 5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.787 2.508 6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.669 0.933 2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.277 1.650 3.397 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.634 4.835 7.567 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.152 5.491 8.776 1.00 0.00 C ATOM 1067 C ASN A 74 -6.590 4.469 9.760 1.00 0.00 C ATOM 1068 O ASN A 74 -6.733 4.618 10.974 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.281 6.284 9.438 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.516 5.438 9.681 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -10.133 4.935 8.742 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -9.882 5.276 10.948 1.00 0.00 N ATOM 0 H ASN A 74 -8.388 4.166 7.722 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.354 6.177 8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.929 6.689 10.387 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.544 7.133 8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.704 4.716 11.174 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.341 5.711 11.695 1.00 0.00 H new ATOM 1079 N GLY A 75 -5.951 3.432 9.229 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.378 2.402 10.075 1.00 0.00 C ATOM 1081 C GLY A 75 -6.302 1.214 10.251 1.00 0.00 C ATOM 1082 O GLY A 75 -5.847 0.099 10.512 1.00 0.00 O ATOM 0 H GLY A 75 -5.820 3.287 8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.436 2.064 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.147 2.826 11.052 1.00 0.00 H new ATOM 1086 N THR A 76 -7.603 1.448 10.110 1.00 0.00 N ATOM 1087 CA THR A 76 -8.591 0.387 10.257 1.00 0.00 C ATOM 1088 C THR A 76 -9.107 -0.068 8.895 1.00 0.00 C ATOM 1089 O THR A 76 -9.880 0.637 8.246 1.00 0.00 O ATOM 1090 CB THR A 76 -9.758 0.865 11.123 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.282 1.491 12.301 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.690 -0.251 11.540 1.00 0.00 C ATOM 0 H THR A 76 -7.997 2.364 9.894 1.00 0.00 H new ATOM 0 HA THR A 76 -8.108 -0.460 10.745 1.00 0.00 H new ATOM 0 HB THR A 76 -10.314 1.565 10.500 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.042 1.792 12.842 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.495 0.157 12.152 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.112 -0.723 10.653 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.136 -0.992 12.116 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.675 -1.250 8.470 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.094 -1.800 7.186 1.00 0.00 C ATOM 1102 C TYR A 77 -10.230 -2.800 7.370 1.00 0.00 C ATOM 1103 O TYR A 77 -10.053 -3.849 7.990 1.00 0.00 O ATOM 1104 CB TYR A 77 -7.913 -2.474 6.487 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.045 -2.518 4.981 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -8.994 -3.328 4.371 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.218 -1.750 4.170 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.117 -3.371 2.995 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.336 -1.787 2.794 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.286 -2.598 2.212 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.405 -2.639 0.841 1.00 0.00 O ATOM 0 H TYR A 77 -8.035 -1.846 8.996 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.453 -0.979 6.565 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.997 -1.944 6.748 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.811 -3.492 6.864 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.647 -3.934 4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.471 -1.114 4.623 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.860 -4.006 2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.687 -1.183 2.177 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.747 -2.035 0.437 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.396 -2.468 6.827 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.564 -3.337 6.931 1.00 0.00 C ATOM 1123 C ASP A 78 -12.990 -3.508 8.388 1.00 0.00 C ATOM 1124 O ASP A 78 -13.607 -4.510 8.749 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.267 -4.703 6.307 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.281 -5.086 5.246 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -14.428 -4.596 5.315 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -12.928 -5.877 4.346 1.00 0.00 O ATOM 0 H ASP A 78 -11.558 -1.604 6.310 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.384 -2.868 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.271 -4.689 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.258 -5.463 7.089 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.658 -2.524 9.219 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.018 -2.589 10.623 1.00 0.00 C ATOM 1135 C GLY A 79 -11.858 -3.011 11.505 1.00 0.00 C ATOM 1136 O GLY A 79 -11.817 -2.677 12.689 1.00 0.00 O ATOM 0 H GLY A 79 -12.147 -1.685 8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.379 -1.613 10.947 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.841 -3.292 10.751 1.00 0.00 H new ATOM 1140 N ILE A 80 -10.914 -3.746 10.928 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.749 -4.214 11.672 1.00 0.00 C ATOM 1142 C ILE A 80 -8.764 -3.077 11.923 1.00 0.00 C ATOM 1143 O ILE A 80 -8.019 -2.679 11.027 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.026 -5.351 10.925 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.027 -6.422 10.488 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -7.944 -5.958 11.807 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.789 -7.043 11.638 1.00 0.00 C ATOM 0 H ILE A 80 -10.932 -4.031 9.949 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.114 -4.592 12.627 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.553 -4.938 10.034 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.737 -5.980 9.789 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.495 -7.206 9.949 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.441 -6.760 11.266 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.218 -5.190 12.073 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.397 -6.360 12.714 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.480 -7.793 11.254 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.088 -7.514 12.327 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.349 -6.269 12.163 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.765 -2.560 13.146 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.872 -1.468 13.516 1.00 0.00 C ATOM 1161 C ALA A 81 -6.468 -1.984 13.814 1.00 0.00 C ATOM 1162 O ALA A 81 -6.238 -2.635 14.834 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.426 -0.718 14.718 1.00 0.00 C ATOM 0 H ALA A 81 -9.375 -2.879 13.899 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.807 -0.782 12.671 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.749 0.094 14.983 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.406 -0.309 14.471 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.520 -1.402 15.562 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.532 -1.690 12.918 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.149 -2.124 13.085 1.00 0.00 C ATOM 1171 C TYR A 82 -3.314 -1.034 13.751 1.00 0.00 C ATOM 1172 O TYR A 82 -2.635 -1.280 14.747 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.541 -2.494 11.731 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.286 -3.595 11.011 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.964 -4.930 11.220 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.313 -3.299 10.123 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.642 -5.939 10.564 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.996 -4.303 9.463 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.657 -5.621 9.686 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.336 -6.622 9.031 1.00 0.00 O ATOM 0 H TYR A 82 -5.706 -1.153 12.068 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.145 -3.004 13.729 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.520 -1.607 11.098 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.507 -2.804 11.880 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.170 -5.183 11.907 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.582 -2.268 9.946 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.379 -6.972 10.738 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.792 -4.056 8.776 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.020 -6.228 8.451 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.370 0.171 13.192 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.620 1.299 13.731 1.00 0.00 C ATOM 1192 C PHE A 83 -3.481 2.558 13.765 1.00 0.00 C ATOM 1193 O PHE A 83 -4.618 2.557 13.292 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.363 1.550 12.896 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.637 1.702 11.427 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.730 0.589 10.607 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.802 2.959 10.867 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -1.983 0.726 9.255 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.055 3.102 9.516 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.145 1.984 8.709 1.00 0.00 C ATOM 0 H PHE A 83 -3.927 0.391 12.366 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.326 1.053 14.751 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.869 2.451 13.260 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.668 0.724 13.044 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.603 -0.397 11.029 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.732 3.836 11.493 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.054 -0.150 8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.182 4.087 9.091 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.342 2.094 7.653 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.932 3.630 14.327 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.651 4.895 14.421 1.00 0.00 C ATOM 1212 C GLU A 84 -3.038 5.942 13.496 1.00 0.00 C ATOM 1213 O GLU A 84 -1.818 6.073 13.413 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.640 5.406 15.864 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.499 6.642 16.078 1.00 0.00 C ATOM 1216 CD GLU A 84 -4.081 7.438 17.299 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -3.504 6.838 18.230 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -4.330 8.661 17.324 1.00 0.00 O ATOM 0 H GLU A 84 -1.993 3.648 14.724 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.681 4.721 14.111 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.989 4.612 16.524 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.614 5.633 16.153 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.439 7.279 15.196 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.541 6.342 16.184 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.895 6.683 12.801 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.439 7.719 11.883 1.00 0.00 C ATOM 1227 C CYS A 85 -4.600 8.600 11.435 1.00 0.00 C ATOM 1228 O CYS A 85 -5.720 8.468 11.929 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.761 7.089 10.664 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.868 6.101 9.631 1.00 0.00 S ATOM 0 H CYS A 85 -4.909 6.585 12.856 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.716 8.342 12.410 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.324 7.881 10.055 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.940 6.458 11.004 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.623 4.838 9.817 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.325 9.501 10.498 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.347 10.406 9.984 1.00 0.00 C ATOM 1238 C LYS A 86 -6.452 9.632 9.270 1.00 0.00 C ATOM 1239 O LYS A 86 -6.474 8.401 9.290 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.719 11.424 9.030 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.416 12.763 9.683 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.002 12.803 10.240 1.00 0.00 C ATOM 1243 CE LYS A 86 -2.469 14.226 10.307 1.00 0.00 C ATOM 1244 NZ LYS A 86 -2.512 14.769 11.693 1.00 0.00 N ATOM 0 H LYS A 86 -3.403 9.624 10.079 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.790 10.934 10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.796 11.009 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.392 11.584 8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.544 13.562 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.130 12.948 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.990 12.362 11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.346 12.197 9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.443 14.247 9.940 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.056 14.865 9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.141 15.740 11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.494 14.773 12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.931 14.174 12.317 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.371 10.362 8.646 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.482 9.746 7.930 1.00 0.00 C ATOM 1260 C GLU A 87 -7.984 8.917 6.749 1.00 0.00 C ATOM 1261 O GLU A 87 -8.234 7.714 6.674 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.458 10.821 7.443 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.872 10.640 7.968 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.806 10.039 6.936 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.448 8.997 6.347 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.894 10.610 6.716 1.00 0.00 O ATOM 0 H GLU A 87 -7.368 11.382 8.622 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.999 9.079 8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.089 11.800 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.480 10.813 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.849 9.998 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.263 11.606 8.287 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.286 9.568 5.824 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.761 8.888 4.645 1.00 0.00 C ATOM 1275 C LYS A 88 -5.249 9.063 4.534 1.00 0.00 C ATOM 1276 O LYS A 88 -4.744 9.582 3.539 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.443 9.420 3.383 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.960 9.457 3.482 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.574 10.255 2.343 1.00 0.00 C ATOM 1280 CE LYS A 88 -10.992 9.797 2.043 1.00 0.00 C ATOM 1281 NZ LYS A 88 -11.855 10.923 1.588 1.00 0.00 N ATOM 0 H LYS A 88 -7.071 10.564 5.868 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.973 7.824 4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.076 10.426 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.157 8.797 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.351 8.440 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.253 9.897 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.579 11.314 2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.959 10.148 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.969 9.024 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.424 9.346 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.814 10.569 1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.898 11.650 2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.457 11.337 0.721 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.532 8.626 5.564 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.077 8.733 5.581 1.00 0.00 C ATOM 1297 C HIS A 89 -2.423 7.353 5.617 1.00 0.00 C ATOM 1298 O HIS A 89 -1.304 7.175 5.134 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.618 9.558 6.784 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.560 11.029 6.512 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.418 11.789 6.635 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.538 11.884 6.115 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.729 13.054 6.317 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -3.004 13.164 5.993 1.00 0.00 N ATOM 0 H HIS A 89 -4.934 8.195 6.397 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.768 9.235 4.664 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.296 9.377 7.618 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.631 9.215 7.095 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.499 11.450 6.918 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.566 11.614 5.924 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.028 13.876 6.325 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.125 6.381 6.190 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.592 5.033 6.274 1.00 0.00 C ATOM 1314 C GLY A 90 -2.967 4.186 5.074 1.00 0.00 C ATOM 1315 O GLY A 90 -4.146 4.036 4.756 1.00 0.00 O ATOM 0 H GLY A 90 -4.052 6.502 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.506 5.079 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.961 4.555 7.182 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.961 3.631 4.408 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.190 2.795 3.236 1.00 0.00 C ATOM 1321 C ILE A 91 -1.466 1.458 3.364 1.00 0.00 C ATOM 1322 O ILE A 91 -0.239 1.412 3.453 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.729 3.501 1.944 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -2.079 2.655 0.718 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.234 3.780 1.994 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.099 3.443 -0.574 1.00 0.00 C ATOM 0 H ILE A 91 -0.979 3.745 4.660 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.264 2.616 3.178 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.253 4.454 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.357 1.844 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.056 2.197 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.074 4.278 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.012 4.422 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.308 2.840 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.354 2.780 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.841 4.238 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.116 3.879 -0.749 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.233 0.374 3.373 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.664 -0.964 3.490 1.00 0.00 C ATOM 1340 C PHE A 92 -1.080 -1.424 2.159 1.00 0.00 C ATOM 1341 O PHE A 92 -1.794 -1.548 1.165 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.731 -1.954 3.961 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.262 -1.655 5.334 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.200 -0.654 5.525 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -2.822 -2.376 6.434 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.691 -0.376 6.786 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.309 -2.102 7.698 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.245 -1.102 7.874 1.00 0.00 C ATOM 0 H PHE A 92 -3.250 0.395 3.301 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.861 -0.928 4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.558 -1.949 3.251 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.311 -2.960 3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.552 -0.084 4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.091 -3.160 6.301 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.422 0.407 6.921 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.958 -2.669 8.547 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.628 -0.888 8.861 1.00 0.00 H new ATOM 1358 N ALA A 93 0.225 -1.677 2.148 1.00 0.00 N ATOM 1359 CA ALA A 93 0.906 -2.126 0.939 1.00 0.00 C ATOM 1360 C ALA A 93 1.670 -3.423 1.188 1.00 0.00 C ATOM 1361 O ALA A 93 2.197 -3.643 2.280 1.00 0.00 O ATOM 1362 CB ALA A 93 1.849 -1.044 0.435 1.00 0.00 C ATOM 0 H ALA A 93 0.832 -1.579 2.962 1.00 0.00 H new ATOM 0 HA ALA A 93 0.152 -2.321 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.352 -1.391 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.280 -0.142 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.592 -0.823 1.201 1.00 0.00 H new ATOM 1368 N PRO A 94 1.744 -4.304 0.175 1.00 0.00 N ATOM 1369 CA PRO A 94 2.451 -5.584 0.293 1.00 0.00 C ATOM 1370 C PRO A 94 3.885 -5.408 0.786 1.00 0.00 C ATOM 1371 O PRO A 94 4.426 -4.303 0.762 1.00 0.00 O ATOM 1372 CB PRO A 94 2.440 -6.131 -1.137 1.00 0.00 C ATOM 1373 CG PRO A 94 1.263 -5.487 -1.782 1.00 0.00 C ATOM 1374 CD PRO A 94 1.146 -4.122 -1.161 1.00 0.00 C ATOM 0 HA PRO A 94 1.978 -6.246 1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.363 -5.884 -1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.350 -7.217 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.400 -5.414 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.358 -6.071 -1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.680 -3.369 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.107 -3.797 -1.096 1.00 0.00 H new ATOM 1382 N PRO A 95 4.522 -6.501 1.240 1.00 0.00 N ATOM 1383 CA PRO A 95 5.901 -6.460 1.739 1.00 0.00 C ATOM 1384 C PRO A 95 6.896 -6.066 0.653 1.00 0.00 C ATOM 1385 O PRO A 95 7.877 -5.371 0.917 1.00 0.00 O ATOM 1386 CB PRO A 95 6.162 -7.895 2.209 1.00 0.00 C ATOM 1387 CG PRO A 95 5.167 -8.726 1.476 1.00 0.00 C ATOM 1388 CD PRO A 95 3.954 -7.858 1.302 1.00 0.00 C ATOM 0 HA PRO A 95 6.024 -5.715 2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.181 -8.206 1.981 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.035 -7.987 3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.560 -9.046 0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.924 -9.629 2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.406 -8.108 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.258 -7.966 2.134 1.00 0.00 H new ATOM 1396 N GLN A 96 6.635 -6.514 -0.571 1.00 0.00 N ATOM 1397 CA GLN A 96 7.505 -6.207 -1.699 1.00 0.00 C ATOM 1398 C GLN A 96 7.594 -4.700 -1.928 1.00 0.00 C ATOM 1399 O GLN A 96 8.579 -4.203 -2.473 1.00 0.00 O ATOM 1400 CB GLN A 96 6.996 -6.897 -2.967 1.00 0.00 C ATOM 1401 CG GLN A 96 5.559 -6.545 -3.315 1.00 0.00 C ATOM 1402 CD GLN A 96 5.052 -7.301 -4.527 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.802 -7.567 -5.465 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.770 -7.651 -4.512 1.00 0.00 N ATOM 0 H GLN A 96 5.827 -7.091 -0.806 1.00 0.00 H new ATOM 0 HA GLN A 96 8.502 -6.580 -1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.641 -6.625 -3.803 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.077 -7.977 -2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.918 -6.763 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.486 -5.474 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.185 -7.409 -3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.371 -8.161 -5.300 1.00 0.00 H new ATOM 1413 N LYS A 97 6.558 -3.979 -1.508 1.00 0.00 N ATOM 1414 CA LYS A 97 6.523 -2.529 -1.669 1.00 0.00 C ATOM 1415 C LYS A 97 6.964 -1.826 -0.389 1.00 0.00 C ATOM 1416 O LYS A 97 6.527 -0.711 -0.100 1.00 0.00 O ATOM 1417 CB LYS A 97 5.115 -2.073 -2.055 1.00 0.00 C ATOM 1418 CG LYS A 97 4.650 -2.602 -3.402 1.00 0.00 C ATOM 1419 CD LYS A 97 4.365 -1.473 -4.381 1.00 0.00 C ATOM 1420 CE LYS A 97 3.755 -1.995 -5.672 1.00 0.00 C ATOM 1421 NZ LYS A 97 3.899 -1.020 -6.787 1.00 0.00 N ATOM 0 H LYS A 97 5.734 -4.374 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 97 7.217 -2.261 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.414 -2.397 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.088 -0.983 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.413 -3.260 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.750 -3.202 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.687 -0.754 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.290 -0.941 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.235 -2.934 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.699 -2.211 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.471 -1.413 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.419 -0.132 -6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.908 -0.833 -6.956 1.00 0.00 H new ATOM 1435 N ILE A 98 7.832 -2.481 0.376 1.00 0.00 N ATOM 1436 CA ILE A 98 8.329 -1.915 1.625 1.00 0.00 C ATOM 1437 C ILE A 98 9.845 -1.756 1.591 1.00 0.00 C ATOM 1438 O ILE A 98 10.584 -2.732 1.719 1.00 0.00 O ATOM 1439 CB ILE A 98 7.942 -2.789 2.832 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.453 -3.134 2.785 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.287 -2.078 4.134 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.552 -1.918 2.758 1.00 0.00 C ATOM 0 H ILE A 98 8.205 -3.404 0.153 1.00 0.00 H new ATOM 0 HA ILE A 98 7.866 -0.934 1.734 1.00 0.00 H new ATOM 0 HB ILE A 98 8.511 -3.717 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.257 -3.742 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.202 -3.743 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.007 -2.709 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.358 -1.880 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.742 -1.135 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.510 -2.238 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.720 -1.321 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.776 -1.319 1.875 1.00 0.00 H new ATOM 1454 N SER A 99 10.301 -0.520 1.420 1.00 0.00 N ATOM 1455 CA SER A 99 11.729 -0.232 1.371 1.00 0.00 C ATOM 1456 C SER A 99 12.097 0.862 2.368 1.00 0.00 C ATOM 1457 O SER A 99 11.223 1.468 2.989 1.00 0.00 O ATOM 1458 CB SER A 99 12.137 0.191 -0.041 1.00 0.00 C ATOM 1459 OG SER A 99 11.478 -0.595 -1.020 1.00 0.00 O ATOM 0 H SER A 99 9.702 0.299 1.313 1.00 0.00 H new ATOM 0 HA SER A 99 12.267 -1.141 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.896 1.243 -0.193 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.216 0.091 -0.156 1.00 0.00 H new ATOM 0 HG SER A 99 11.755 -0.304 -1.914 1.00 0.00 H new ATOM 1465 N HIS A 100 13.394 1.109 2.517 1.00 0.00 N ATOM 1466 CA HIS A 100 13.875 2.130 3.439 1.00 0.00 C ATOM 1467 C HIS A 100 14.054 3.467 2.726 1.00 0.00 C ATOM 1468 O HIS A 100 14.633 3.530 1.642 1.00 0.00 O ATOM 1469 CB HIS A 100 15.199 1.695 4.070 1.00 0.00 C ATOM 1470 CG HIS A 100 15.050 0.590 5.070 1.00 0.00 C ATOM 1471 ND1 HIS A 100 14.957 -0.743 4.732 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.978 0.639 6.424 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.833 -1.446 5.867 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.841 -0.654 6.921 1.00 0.00 N ATOM 0 H HIS A 100 14.130 0.616 2.011 1.00 0.00 H new ATOM 0 HA HIS A 100 13.129 2.254 4.224 1.00 0.00 H new ATOM 0 HB2 HIS A 100 15.879 1.372 3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.660 2.555 4.556 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.020 1.538 7.021 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.739 -2.521 5.912 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.763 -0.932 7.899 1.00 0.00 H new ATOM 1482 N ILE A 101 13.550 4.532 3.341 1.00 0.00 N ATOM 1483 CA ILE A 101 13.653 5.867 2.764 1.00 0.00 C ATOM 1484 C ILE A 101 15.084 6.396 2.858 1.00 0.00 C ATOM 1485 O ILE A 101 15.627 6.538 3.953 1.00 0.00 O ATOM 1486 CB ILE A 101 12.705 6.856 3.467 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.289 6.279 3.537 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.701 8.194 2.743 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.340 7.108 4.374 1.00 0.00 C ATOM 0 H ILE A 101 13.066 4.496 4.238 1.00 0.00 H new ATOM 0 HA ILE A 101 13.366 5.784 1.716 1.00 0.00 H new ATOM 0 HB ILE A 101 13.063 7.016 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.890 6.194 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.336 5.270 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.026 8.881 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.709 8.610 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.366 8.051 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.356 6.640 4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.717 7.172 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.263 8.110 3.952 1.00 0.00 H new ATOM 1501 N PRO A 102 15.718 6.699 1.710 1.00 0.00 N ATOM 1502 CA PRO A 102 17.091 7.215 1.681 1.00 0.00 C ATOM 1503 C PRO A 102 17.273 8.426 2.589 1.00 0.00 C ATOM 1504 O PRO A 102 16.304 8.967 3.121 1.00 0.00 O ATOM 1505 CB PRO A 102 17.294 7.609 0.216 1.00 0.00 C ATOM 1506 CG PRO A 102 16.343 6.751 -0.542 1.00 0.00 C ATOM 1507 CD PRO A 102 15.150 6.564 0.354 1.00 0.00 C ATOM 0 HA PRO A 102 17.810 6.479 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.085 8.667 0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.322 7.436 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.055 7.223 -1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.797 5.792 -0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.382 7.314 0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.686 5.589 0.208 1.00 0.00 H new