USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=11 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= -0.176 X(o=-0.18,f=-0.068) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -1.94! C(o=-1.9!,f=-4.9!) USER MOD Single : A 51 LYS NZ :NH3+ -120:sc= 0.0913 (180deg=-0.256) USER MOD Single : A 54 THR OG1 : rot -114:sc= 0.813 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+ 162:sc= -0.0137 (180deg=-0.191) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.0837 F(o=-0.7,f=-0.084) USER MOD Single : A 73 ASN : amide:sc= -0.728 X(o=-0.73,f=-0.76) USER MOD Single : A 74 ASN : amide:sc= -0.49 K(o=-0.49,f=-6.6!) 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 -150:sc= -1.12! USER MOD Single : A 85 CYS SG : rot -119:sc= -1.66 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= -3.06! C(o=-3.1!,f=-5.6!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.24) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.610 -9.008 6.502 1.00 0.00 N ATOM 368 CA LEU A 29 9.082 -7.738 7.040 1.00 0.00 C ATOM 369 C LEU A 29 9.524 -7.891 8.492 1.00 0.00 C ATOM 370 O LEU A 29 9.335 -6.989 9.307 1.00 0.00 O ATOM 371 CB LEU A 29 7.983 -6.677 6.938 1.00 0.00 C ATOM 372 CG LEU A 29 7.554 -6.325 5.512 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.107 -5.859 5.490 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.470 -5.256 4.932 1.00 0.00 C ATOM 0 HA LEU A 29 9.941 -7.420 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.109 -7.026 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.329 -5.769 7.432 1.00 0.00 H new ATOM 0 HG LEU A 29 7.634 -7.220 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.819 -5.613 4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.463 -6.654 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.000 -4.976 6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.152 -5.016 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.419 -4.359 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.495 -5.626 4.913 1.00 0.00 H new ATOM 386 N PHE A 30 10.113 -9.041 8.807 1.00 0.00 N ATOM 387 CA PHE A 30 10.582 -9.313 10.162 1.00 0.00 C ATOM 388 C PHE A 30 11.718 -8.369 10.543 1.00 0.00 C ATOM 389 O PHE A 30 11.862 -7.995 11.708 1.00 0.00 O ATOM 390 CB PHE A 30 11.046 -10.765 10.280 1.00 0.00 C ATOM 391 CG PHE A 30 11.340 -11.188 11.691 1.00 0.00 C ATOM 392 CD1 PHE A 30 10.361 -11.116 12.668 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.596 -11.659 12.039 1.00 0.00 C ATOM 394 CE1 PHE A 30 10.629 -11.503 13.967 1.00 0.00 C ATOM 395 CE2 PHE A 30 12.870 -12.048 13.337 1.00 0.00 C ATOM 396 CZ PHE A 30 11.885 -11.972 14.302 1.00 0.00 C ATOM 0 H PHE A 30 10.277 -9.798 8.144 1.00 0.00 H new ATOM 0 HA PHE A 30 9.752 -9.148 10.849 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.278 -11.418 9.866 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.942 -10.902 9.674 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.377 -10.753 12.411 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.369 -11.723 11.288 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.857 -11.439 14.720 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.854 -12.411 13.596 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.096 -12.278 15.316 1.00 0.00 H new ATOM 406 N ASP A 31 12.521 -7.987 9.556 1.00 0.00 N ATOM 407 CA ASP A 31 13.643 -7.086 9.789 1.00 0.00 C ATOM 408 C ASP A 31 13.163 -5.647 9.947 1.00 0.00 C ATOM 409 O ASP A 31 13.768 -4.855 10.669 1.00 0.00 O ATOM 410 CB ASP A 31 14.649 -7.179 8.637 1.00 0.00 C ATOM 411 CG ASP A 31 16.080 -7.270 9.127 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.550 -8.399 9.381 1.00 0.00 O ATOM 413 OD2 ASP A 31 16.732 -6.213 9.254 1.00 0.00 O ATOM 0 H ASP A 31 12.416 -8.287 8.587 1.00 0.00 H new ATOM 0 HA ASP A 31 14.133 -7.389 10.714 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.420 -8.053 8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.543 -6.305 7.994 1.00 0.00 H new ATOM 418 N PHE A 32 12.071 -5.315 9.265 1.00 0.00 N ATOM 419 CA PHE A 32 11.509 -3.971 9.330 1.00 0.00 C ATOM 420 C PHE A 32 10.783 -3.748 10.653 1.00 0.00 C ATOM 421 O PHE A 32 9.683 -4.259 10.862 1.00 0.00 O ATOM 422 CB PHE A 32 10.548 -3.739 8.163 1.00 0.00 C ATOM 423 CG PHE A 32 11.238 -3.396 6.873 1.00 0.00 C ATOM 424 CD1 PHE A 32 12.055 -4.321 6.243 1.00 0.00 C ATOM 425 CD2 PHE A 32 11.069 -2.150 6.292 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.690 -4.009 5.055 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.702 -1.832 5.105 1.00 0.00 C ATOM 428 CZ PHE A 32 12.513 -2.762 4.487 1.00 0.00 C ATOM 0 H PHE A 32 11.558 -5.958 8.662 1.00 0.00 H new ATOM 0 HA PHE A 32 12.331 -3.258 9.262 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.946 -4.636 8.016 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.862 -2.933 8.423 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.197 -5.296 6.685 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.435 -1.419 6.772 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.323 -4.739 4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.562 -0.857 4.662 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.009 -2.515 3.560 1.00 0.00 H new ATOM 438 N HIS A 33 11.406 -2.982 11.544 1.00 0.00 N ATOM 439 CA HIS A 33 10.819 -2.692 12.847 1.00 0.00 C ATOM 440 C HIS A 33 9.749 -1.611 12.732 1.00 0.00 C ATOM 441 O HIS A 33 9.818 -0.744 11.860 1.00 0.00 O ATOM 442 CB HIS A 33 11.905 -2.254 13.833 1.00 0.00 C ATOM 443 CG HIS A 33 11.920 -3.054 15.099 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.135 -2.515 16.347 1.00 0.00 N ATOM 445 CD2 HIS A 33 11.736 -4.385 15.294 1.00 0.00 C ATOM 446 CE1 HIS A 33 12.080 -3.511 17.242 1.00 0.00 C ATOM 447 NE2 HIS A 33 11.838 -4.667 16.653 1.00 0.00 N ATOM 0 H HIS A 33 12.317 -2.551 11.387 1.00 0.00 H new ATOM 0 HA HIS A 33 10.349 -3.603 13.219 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.878 -2.336 13.349 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.759 -1.202 14.079 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.541 -5.110 14.518 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.216 -3.384 18.306 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.745 -5.579 17.101 1.00 0.00 H new ATOM 455 N ILE A 34 8.759 -1.669 13.617 1.00 0.00 N ATOM 456 CA ILE A 34 7.673 -0.697 13.615 1.00 0.00 C ATOM 457 C ILE A 34 8.157 0.669 14.090 1.00 0.00 C ATOM 458 O ILE A 34 8.958 0.766 15.019 1.00 0.00 O ATOM 459 CB ILE A 34 6.507 -1.156 14.509 1.00 0.00 C ATOM 460 CG1 ILE A 34 6.116 -2.597 14.178 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.314 -0.226 14.344 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.700 -2.796 12.737 1.00 0.00 C ATOM 0 H ILE A 34 8.687 -2.380 14.345 1.00 0.00 H new ATOM 0 HA ILE A 34 7.322 -0.617 12.586 1.00 0.00 H new ATOM 0 HB ILE A 34 6.831 -1.118 15.549 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.958 -3.253 14.398 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.297 -2.901 14.829 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.498 -0.564 14.983 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.600 0.787 14.627 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.988 -0.234 13.304 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.437 -3.841 12.575 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.838 -2.166 12.517 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.525 -2.524 12.079 1.00 0.00 H new ATOM 474 N GLY A 35 7.664 1.722 13.448 1.00 0.00 N ATOM 475 CA GLY A 35 8.057 3.069 13.819 1.00 0.00 C ATOM 476 C GLY A 35 9.301 3.533 13.089 1.00 0.00 C ATOM 477 O GLY A 35 10.054 4.364 13.597 1.00 0.00 O ATOM 0 H GLY A 35 6.999 1.667 12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.237 3.755 13.605 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.234 3.109 14.894 1.00 0.00 H new ATOM 481 N ASP A 36 9.519 2.993 11.893 1.00 0.00 N ATOM 482 CA ASP A 36 10.682 3.357 11.091 1.00 0.00 C ATOM 483 C ASP A 36 10.254 3.911 9.735 1.00 0.00 C ATOM 484 O ASP A 36 9.182 3.581 9.229 1.00 0.00 O ATOM 485 CB ASP A 36 11.592 2.143 10.895 1.00 0.00 C ATOM 486 CG ASP A 36 12.929 2.515 10.285 1.00 0.00 C ATOM 487 OD1 ASP A 36 13.596 3.421 10.828 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.308 1.902 9.266 1.00 0.00 O ATOM 0 H ASP A 36 8.906 2.303 11.459 1.00 0.00 H new ATOM 0 HA ASP A 36 11.233 4.133 11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.757 1.657 11.857 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.092 1.418 10.253 1.00 0.00 H new ATOM 493 N ARG A 37 11.100 4.756 9.155 1.00 0.00 N ATOM 494 CA ARG A 37 10.811 5.357 7.858 1.00 0.00 C ATOM 495 C ARG A 37 10.909 4.320 6.744 1.00 0.00 C ATOM 496 O ARG A 37 11.895 3.591 6.646 1.00 0.00 O ATOM 497 CB ARG A 37 11.773 6.513 7.583 1.00 0.00 C ATOM 498 CG ARG A 37 11.442 7.777 8.358 1.00 0.00 C ATOM 499 CD ARG A 37 12.627 8.729 8.407 1.00 0.00 C ATOM 500 NE ARG A 37 12.203 10.127 8.468 1.00 0.00 N ATOM 501 CZ ARG A 37 11.759 10.719 9.575 1.00 0.00 C ATOM 502 NH1 ARG A 37 11.685 10.042 10.715 1.00 0.00 N ATOM 503 NH2 ARG A 37 11.390 11.992 9.543 1.00 0.00 N ATOM 0 H ARG A 37 11.991 5.040 9.562 1.00 0.00 H new ATOM 0 HA ARG A 37 9.791 5.741 7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.786 6.199 7.833 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.763 6.738 6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.592 8.277 7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.143 7.515 9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.242 8.498 9.277 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.251 8.577 7.526 1.00 0.00 H new ATOM 0 HE ARG A 37 12.250 10.681 7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.969 9.063 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.344 10.501 11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.446 12.518 8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.050 12.446 10.391 1.00 0.00 H new ATOM 517 N VAL A 38 9.878 4.261 5.907 1.00 0.00 N ATOM 518 CA VAL A 38 9.848 3.315 4.799 1.00 0.00 C ATOM 519 C VAL A 38 9.258 3.954 3.547 1.00 0.00 C ATOM 520 O VAL A 38 8.415 4.846 3.633 1.00 0.00 O ATOM 521 CB VAL A 38 9.029 2.061 5.154 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.741 1.238 6.217 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.632 2.450 5.618 1.00 0.00 C ATOM 0 H VAL A 38 9.053 4.857 5.976 1.00 0.00 H new ATOM 0 HA VAL A 38 10.880 3.024 4.604 1.00 0.00 H new ATOM 0 HB VAL A 38 8.933 1.448 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.146 0.356 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.717 0.927 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.871 1.840 7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.067 1.551 5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.706 3.086 6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.122 2.992 4.822 1.00 0.00 H new ATOM 533 N LEU A 39 9.706 3.491 2.386 1.00 0.00 N ATOM 534 CA LEU A 39 9.220 4.016 1.115 1.00 0.00 C ATOM 535 C LEU A 39 8.398 2.966 0.375 1.00 0.00 C ATOM 536 O LEU A 39 8.856 1.843 0.164 1.00 0.00 O ATOM 537 CB LEU A 39 10.393 4.470 0.245 1.00 0.00 C ATOM 538 CG LEU A 39 10.066 5.579 -0.757 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.459 6.778 -0.046 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.314 5.988 -1.526 1.00 0.00 C ATOM 0 H LEU A 39 10.405 2.753 2.298 1.00 0.00 H new ATOM 0 HA LEU A 39 8.580 4.873 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.196 4.815 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.774 3.608 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 39 9.335 5.196 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.233 7.557 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.541 6.476 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.167 7.162 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.063 6.778 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.068 6.353 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.706 5.127 -2.067 1.00 0.00 H new ATOM 552 N ILE A 40 7.183 3.336 -0.013 1.00 0.00 N ATOM 553 CA ILE A 40 6.297 2.423 -0.726 1.00 0.00 C ATOM 554 C ILE A 40 6.490 2.539 -2.234 1.00 0.00 C ATOM 555 O ILE A 40 6.223 3.586 -2.825 1.00 0.00 O ATOM 556 CB ILE A 40 4.819 2.687 -0.383 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.621 2.719 1.134 1.00 0.00 C ATOM 558 CG2 ILE A 40 3.929 1.627 -1.015 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.576 3.715 1.587 1.00 0.00 C ATOM 0 H ILE A 40 6.789 4.262 0.154 1.00 0.00 H new ATOM 0 HA ILE A 40 6.558 1.414 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 40 4.538 3.659 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.335 1.724 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.571 2.959 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.888 1.828 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.051 1.648 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.210 0.644 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.489 3.683 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.870 4.718 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.615 3.463 1.139 1.00 0.00 H new ATOM 571 N GLY A 41 6.954 1.457 -2.851 1.00 0.00 N ATOM 572 CA GLY A 41 7.174 1.457 -4.285 1.00 0.00 C ATOM 573 C GLY A 41 8.132 2.546 -4.731 1.00 0.00 C ATOM 574 O GLY A 41 8.135 2.940 -5.897 1.00 0.00 O ATOM 0 H GLY A 41 7.182 0.580 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.567 0.487 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.219 1.587 -4.795 1.00 0.00 H new ATOM 578 N ASN A 42 8.948 3.035 -3.801 1.00 0.00 N ATOM 579 CA ASN A 42 9.915 4.084 -4.106 1.00 0.00 C ATOM 580 C ASN A 42 9.221 5.310 -4.694 1.00 0.00 C ATOM 581 O ASN A 42 9.539 5.746 -5.802 1.00 0.00 O ATOM 582 CB ASN A 42 10.974 3.562 -5.079 1.00 0.00 C ATOM 583 CG ASN A 42 11.817 2.455 -4.478 1.00 0.00 C ATOM 584 OD1 ASN A 42 11.602 1.275 -4.754 1.00 0.00 O ATOM 585 ND2 ASN A 42 12.784 2.832 -3.650 1.00 0.00 N ATOM 0 H ASN A 42 8.958 2.721 -2.830 1.00 0.00 H new ATOM 0 HA ASN A 42 10.402 4.378 -3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.485 3.193 -5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.622 4.385 -5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.384 2.132 -3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.927 3.822 -3.450 1.00 0.00 H new ATOM 592 N VAL A 43 8.272 5.862 -3.946 1.00 0.00 N ATOM 593 CA VAL A 43 7.533 7.036 -4.393 1.00 0.00 C ATOM 594 C VAL A 43 6.668 7.604 -3.272 1.00 0.00 C ATOM 595 O VAL A 43 6.587 8.819 -3.093 1.00 0.00 O ATOM 596 CB VAL A 43 6.640 6.706 -5.607 1.00 0.00 C ATOM 597 CG1 VAL A 43 5.599 5.659 -5.239 1.00 0.00 C ATOM 598 CG2 VAL A 43 5.975 7.966 -6.144 1.00 0.00 C ATOM 0 H VAL A 43 7.997 5.515 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 43 8.270 7.783 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 43 7.271 6.294 -6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.980 5.440 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.099 4.748 -4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.971 6.038 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.350 7.711 -7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.358 8.412 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.740 8.678 -6.453 1.00 0.00 H new ATOM 608 N GLN A 44 6.023 6.718 -2.521 1.00 0.00 N ATOM 609 CA GLN A 44 5.164 7.134 -1.418 1.00 0.00 C ATOM 610 C GLN A 44 5.875 6.965 -0.076 1.00 0.00 C ATOM 611 O GLN A 44 5.939 5.860 0.464 1.00 0.00 O ATOM 612 CB GLN A 44 3.866 6.324 -1.425 1.00 0.00 C ATOM 613 CG GLN A 44 2.785 6.919 -2.314 1.00 0.00 C ATOM 614 CD GLN A 44 1.386 6.637 -1.799 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.197 5.826 -0.893 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.398 7.308 -2.379 1.00 0.00 N ATOM 0 H GLN A 44 6.078 5.708 -2.655 1.00 0.00 H new ATOM 0 HA GLN A 44 4.929 8.190 -1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.082 5.309 -1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.487 6.250 -0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.931 7.997 -2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.886 6.516 -3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.602 7.971 -3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.565 7.161 -2.077 1.00 0.00 H new ATOM 625 N PRO A 45 6.421 8.061 0.483 1.00 0.00 N ATOM 626 CA PRO A 45 7.128 8.022 1.766 1.00 0.00 C ATOM 627 C PRO A 45 6.174 7.901 2.950 1.00 0.00 C ATOM 628 O PRO A 45 5.037 8.370 2.895 1.00 0.00 O ATOM 629 CB PRO A 45 7.855 9.365 1.802 1.00 0.00 C ATOM 630 CG PRO A 45 6.999 10.274 0.992 1.00 0.00 C ATOM 631 CD PRO A 45 6.394 9.421 -0.091 1.00 0.00 C ATOM 0 HA PRO A 45 7.788 7.158 1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.965 9.729 2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.858 9.285 1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.224 10.731 1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.587 11.086 0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.378 9.736 -0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.970 9.478 -1.015 1.00 0.00 H new ATOM 639 N GLY A 46 6.645 7.269 4.021 1.00 0.00 N ATOM 640 CA GLY A 46 5.822 7.098 5.203 1.00 0.00 C ATOM 641 C GLY A 46 6.531 6.328 6.299 1.00 0.00 C ATOM 642 O GLY A 46 7.714 6.010 6.177 1.00 0.00 O ATOM 0 H GLY A 46 7.582 6.872 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.529 8.077 5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.905 6.575 4.931 1.00 0.00 H new ATOM 646 N ILE A 47 5.807 6.029 7.373 1.00 0.00 N ATOM 647 CA ILE A 47 6.373 5.291 8.496 1.00 0.00 C ATOM 648 C ILE A 47 5.687 3.941 8.665 1.00 0.00 C ATOM 649 O ILE A 47 4.472 3.827 8.503 1.00 0.00 O ATOM 650 CB ILE A 47 6.249 6.088 9.811 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.789 7.507 9.630 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.986 5.376 10.937 1.00 0.00 C ATOM 653 CD1 ILE A 47 6.138 8.524 10.543 1.00 0.00 C ATOM 0 H ILE A 47 4.827 6.287 7.489 1.00 0.00 H new ATOM 0 HA ILE A 47 7.429 5.134 8.274 1.00 0.00 H new ATOM 0 HB ILE A 47 5.194 6.153 10.077 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.864 7.504 9.811 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.641 7.814 8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.888 5.952 11.857 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.558 4.384 11.082 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.041 5.281 10.679 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.570 9.507 10.359 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.066 8.556 10.346 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.308 8.242 11.582 1.00 0.00 H new ATOM 665 N LEU A 48 6.471 2.917 8.992 1.00 0.00 N ATOM 666 CA LEU A 48 5.934 1.574 9.183 1.00 0.00 C ATOM 667 C LEU A 48 5.167 1.479 10.498 1.00 0.00 C ATOM 668 O LEU A 48 5.761 1.499 11.576 1.00 0.00 O ATOM 669 CB LEU A 48 7.062 0.541 9.160 1.00 0.00 C ATOM 670 CG LEU A 48 6.608 -0.916 9.262 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.676 -1.267 8.114 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.811 -1.848 9.277 1.00 0.00 C ATOM 0 H LEU A 48 7.479 2.992 9.130 1.00 0.00 H new ATOM 0 HA LEU A 48 5.245 1.365 8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.629 0.665 8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.744 0.752 9.984 1.00 0.00 H new ATOM 0 HG LEU A 48 6.062 -1.042 10.197 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.364 -2.307 8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.799 -0.621 8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.196 -1.125 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.470 -2.881 9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.383 -1.719 8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.443 -1.613 10.134 1.00 0.00 H new ATOM 684 N ARG A 49 3.846 1.377 10.401 1.00 0.00 N ATOM 685 CA ARG A 49 2.999 1.282 11.584 1.00 0.00 C ATOM 686 C ARG A 49 2.550 -0.156 11.821 1.00 0.00 C ATOM 687 O ARG A 49 2.337 -0.569 12.961 1.00 0.00 O ATOM 688 CB ARG A 49 1.779 2.191 11.434 1.00 0.00 C ATOM 689 CG ARG A 49 2.125 3.671 11.411 1.00 0.00 C ATOM 690 CD ARG A 49 2.767 4.112 12.717 1.00 0.00 C ATOM 691 NE ARG A 49 2.189 5.357 13.217 1.00 0.00 N ATOM 692 CZ ARG A 49 1.997 5.626 14.509 1.00 0.00 C ATOM 693 NH1 ARG A 49 2.344 4.747 15.441 1.00 0.00 N ATOM 694 NH2 ARG A 49 1.460 6.783 14.868 1.00 0.00 N ATOM 0 H ARG A 49 3.339 1.358 9.516 1.00 0.00 H new ATOM 0 HA ARG A 49 3.583 1.606 12.445 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.255 1.934 10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.090 2.000 12.257 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.804 3.874 10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.222 4.254 11.233 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.643 3.329 13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.839 4.244 12.568 1.00 0.00 H new ATOM 0 HE ARG A 49 1.915 6.065 12.535 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.762 3.856 15.172 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.193 4.962 16.427 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.195 7.465 14.157 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.312 6.992 15.855 1.00 0.00 H new ATOM 708 N PHE A 50 2.408 -0.915 10.739 1.00 0.00 N ATOM 709 CA PHE A 50 1.984 -2.306 10.832 1.00 0.00 C ATOM 710 C PHE A 50 2.652 -3.150 9.750 1.00 0.00 C ATOM 711 O PHE A 50 3.176 -2.618 8.772 1.00 0.00 O ATOM 712 CB PHE A 50 0.461 -2.405 10.707 1.00 0.00 C ATOM 713 CG PHE A 50 -0.061 -3.809 10.820 1.00 0.00 C ATOM 714 CD1 PHE A 50 0.012 -4.495 12.022 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.624 -4.442 9.724 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.468 -5.787 12.129 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.105 -5.735 9.825 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.027 -6.407 11.029 1.00 0.00 C ATOM 0 H PHE A 50 2.581 -0.589 9.788 1.00 0.00 H new ATOM 0 HA PHE A 50 2.287 -2.690 11.806 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.001 -1.792 11.481 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.156 -1.989 9.747 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.449 -4.015 12.885 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.688 -3.920 8.780 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.406 -6.311 13.072 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.541 -6.218 8.963 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.403 -7.416 11.110 1.00 0.00 H new ATOM 728 N LYS A 51 2.631 -4.466 9.935 1.00 0.00 N ATOM 729 CA LYS A 51 3.236 -5.382 8.974 1.00 0.00 C ATOM 730 C LYS A 51 2.937 -6.831 9.344 1.00 0.00 C ATOM 731 O LYS A 51 3.554 -7.391 10.251 1.00 0.00 O ATOM 732 CB LYS A 51 4.748 -5.162 8.910 1.00 0.00 C ATOM 733 CG LYS A 51 5.401 -5.037 10.277 1.00 0.00 C ATOM 734 CD LYS A 51 6.490 -6.079 10.475 1.00 0.00 C ATOM 735 CE LYS A 51 6.792 -6.293 11.950 1.00 0.00 C ATOM 736 NZ LYS A 51 5.672 -6.978 12.652 1.00 0.00 N ATOM 0 H LYS A 51 2.202 -4.922 10.740 1.00 0.00 H new ATOM 0 HA LYS A 51 2.805 -5.179 7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.206 -5.992 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.952 -4.259 8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.827 -4.040 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.644 -5.149 11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.179 -7.022 10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.396 -5.763 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.701 -6.886 12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.984 -5.331 12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.316 -6.368 13.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.905 -7.170 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.011 -7.875 13.055 1.00 0.00 H new ATOM 750 N GLY A 52 1.987 -7.434 8.636 1.00 0.00 N ATOM 751 CA GLY A 52 1.624 -8.812 8.906 1.00 0.00 C ATOM 752 C GLY A 52 0.400 -9.255 8.126 1.00 0.00 C ATOM 753 O GLY A 52 -0.173 -8.476 7.364 1.00 0.00 O ATOM 0 H GLY A 52 1.463 -6.993 7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.464 -9.461 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.434 -8.932 9.973 1.00 0.00 H new ATOM 757 N GLU A 53 0.000 -10.507 8.319 1.00 0.00 N ATOM 758 CA GLU A 53 -1.164 -11.050 7.628 1.00 0.00 C ATOM 759 C GLU A 53 -2.439 -10.340 8.070 1.00 0.00 C ATOM 760 O GLU A 53 -2.544 -9.883 9.209 1.00 0.00 O ATOM 761 CB GLU A 53 -1.286 -12.553 7.893 1.00 0.00 C ATOM 762 CG GLU A 53 -0.575 -13.412 6.859 1.00 0.00 C ATOM 763 CD GLU A 53 -1.224 -14.771 6.685 1.00 0.00 C ATOM 764 OE1 GLU A 53 -1.789 -15.290 7.671 1.00 0.00 O ATOM 765 OE2 GLU A 53 -1.167 -15.318 5.563 1.00 0.00 O ATOM 0 H GLU A 53 0.463 -11.164 8.947 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.030 -10.886 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.878 -12.774 8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.341 -12.825 7.916 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.569 -12.891 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.465 -13.545 7.156 1.00 0.00 H new ATOM 772 N THR A 54 -3.405 -10.247 7.161 1.00 0.00 N ATOM 773 CA THR A 54 -4.673 -9.590 7.458 1.00 0.00 C ATOM 774 C THR A 54 -5.844 -10.539 7.227 1.00 0.00 C ATOM 775 O THR A 54 -5.656 -11.690 6.836 1.00 0.00 O ATOM 776 CB THR A 54 -4.837 -8.338 6.594 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.588 -8.635 5.231 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.913 -7.209 6.995 1.00 0.00 C ATOM 0 H THR A 54 -3.334 -10.618 6.214 1.00 0.00 H new ATOM 0 HA THR A 54 -4.666 -9.299 8.509 1.00 0.00 H new ATOM 0 HB THR A 54 -5.866 -8.013 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.786 -8.157 4.933 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.081 -6.352 6.342 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.114 -6.924 8.028 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.877 -7.537 6.904 1.00 0.00 H new ATOM 786 N SER A 55 -7.054 -10.047 7.473 1.00 0.00 N ATOM 787 CA SER A 55 -8.257 -10.851 7.291 1.00 0.00 C ATOM 788 C SER A 55 -8.862 -10.621 5.910 1.00 0.00 C ATOM 789 O SER A 55 -9.252 -11.568 5.226 1.00 0.00 O ATOM 790 CB SER A 55 -9.287 -10.519 8.373 1.00 0.00 C ATOM 791 OG SER A 55 -10.382 -11.417 8.328 1.00 0.00 O ATOM 0 H SER A 55 -7.227 -9.096 7.799 1.00 0.00 H new ATOM 0 HA SER A 55 -7.977 -11.901 7.375 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.815 -10.565 9.355 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.644 -9.498 8.238 1.00 0.00 H new ATOM 0 HG SER A 55 -11.025 -11.184 9.030 1.00 0.00 H new ATOM 797 N PHE A 56 -8.937 -9.357 5.506 1.00 0.00 N ATOM 798 CA PHE A 56 -9.493 -9.001 4.207 1.00 0.00 C ATOM 799 C PHE A 56 -8.701 -9.652 3.077 1.00 0.00 C ATOM 800 O PHE A 56 -9.253 -9.975 2.026 1.00 0.00 O ATOM 801 CB PHE A 56 -9.500 -7.481 4.031 1.00 0.00 C ATOM 802 CG PHE A 56 -8.209 -6.825 4.433 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.121 -6.823 3.575 1.00 0.00 C ATOM 804 CD2 PHE A 56 -8.085 -6.210 5.669 1.00 0.00 C ATOM 805 CE1 PHE A 56 -5.933 -6.221 3.942 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.900 -5.606 6.041 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.822 -5.610 5.177 1.00 0.00 C ATOM 0 H PHE A 56 -8.619 -8.562 6.061 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.518 -9.370 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.709 -7.245 2.988 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.313 -7.058 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.203 -7.298 2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.924 -6.203 6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.092 -6.228 3.265 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.816 -5.131 7.007 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.895 -5.137 5.466 1.00 0.00 H new ATOM 817 N ALA A 57 -7.405 -9.840 3.301 1.00 0.00 N ATOM 818 CA ALA A 57 -6.538 -10.452 2.302 1.00 0.00 C ATOM 819 C ALA A 57 -5.396 -11.217 2.960 1.00 0.00 C ATOM 820 O ALA A 57 -5.023 -10.937 4.099 1.00 0.00 O ATOM 821 CB ALA A 57 -5.990 -9.391 1.360 1.00 0.00 C ATOM 0 H ALA A 57 -6.932 -9.577 4.166 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.132 -11.162 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.344 -9.861 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.816 -8.890 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.416 -8.660 1.930 1.00 0.00 H new ATOM 827 N LYS A 58 -4.844 -12.185 2.236 1.00 0.00 N ATOM 828 CA LYS A 58 -3.743 -12.992 2.749 1.00 0.00 C ATOM 829 C LYS A 58 -2.401 -12.319 2.479 1.00 0.00 C ATOM 830 O LYS A 58 -2.339 -11.271 1.836 1.00 0.00 O ATOM 831 CB LYS A 58 -3.766 -14.384 2.116 1.00 0.00 C ATOM 832 CG LYS A 58 -3.516 -14.376 0.616 1.00 0.00 C ATOM 833 CD LYS A 58 -2.146 -14.937 0.272 1.00 0.00 C ATOM 834 CE LYS A 58 -1.494 -14.161 -0.862 1.00 0.00 C ATOM 835 NZ LYS A 58 -0.034 -14.437 -0.956 1.00 0.00 N ATOM 0 H LYS A 58 -5.141 -12.430 1.292 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.869 -13.089 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.011 -15.006 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.733 -14.847 2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.286 -14.963 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.597 -13.357 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.506 -14.902 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.242 -15.985 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.974 -14.423 -1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.653 -13.093 -0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.373 -13.889 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.429 -14.163 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.117 -15.452 -1.127 1.00 0.00 H new ATOM 849 N GLY A 59 -1.329 -12.930 2.973 1.00 0.00 N ATOM 850 CA GLY A 59 -0.003 -12.375 2.774 1.00 0.00 C ATOM 851 C GLY A 59 0.281 -11.205 3.694 1.00 0.00 C ATOM 852 O GLY A 59 -0.632 -10.655 4.311 1.00 0.00 O ATOM 0 H GLY A 59 -1.355 -13.799 3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.742 -13.153 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.100 -12.052 1.738 1.00 0.00 H new ATOM 856 N PHE A 60 1.549 -10.821 3.787 1.00 0.00 N ATOM 857 CA PHE A 60 1.950 -9.707 4.638 1.00 0.00 C ATOM 858 C PHE A 60 1.362 -8.395 4.126 1.00 0.00 C ATOM 859 O PHE A 60 1.272 -8.172 2.919 1.00 0.00 O ATOM 860 CB PHE A 60 3.476 -9.609 4.701 1.00 0.00 C ATOM 861 CG PHE A 60 4.056 -10.085 6.003 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.856 -11.389 6.430 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.800 -9.230 6.800 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.387 -11.830 7.626 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.334 -9.666 7.997 1.00 0.00 C ATOM 866 CZ PHE A 60 5.128 -10.968 8.411 1.00 0.00 C ATOM 0 H PHE A 60 2.317 -11.265 3.283 1.00 0.00 H new ATOM 0 HA PHE A 60 1.565 -9.889 5.641 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.903 -10.194 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.772 -8.573 4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.278 -12.068 5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.964 -8.211 6.482 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.223 -12.848 7.947 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.912 -8.990 8.609 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.545 -11.311 9.346 1.00 0.00 H new ATOM 876 N TRP A 61 0.965 -7.531 5.053 1.00 0.00 N ATOM 877 CA TRP A 61 0.386 -6.241 4.698 1.00 0.00 C ATOM 878 C TRP A 61 0.907 -5.142 5.618 1.00 0.00 C ATOM 879 O TRP A 61 0.489 -5.033 6.771 1.00 0.00 O ATOM 880 CB TRP A 61 -1.140 -6.304 4.772 1.00 0.00 C ATOM 881 CG TRP A 61 -1.762 -7.007 3.603 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.251 -8.281 3.578 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.959 -6.474 2.288 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.741 -8.573 2.327 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.574 -7.479 1.518 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.678 -5.243 1.688 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.910 -7.292 0.180 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -2.012 -5.058 0.360 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.623 -6.077 -0.381 1.00 0.00 C ATOM 0 H TRP A 61 1.034 -7.701 6.056 1.00 0.00 H new ATOM 0 HA TRP A 61 0.682 -6.006 3.676 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.432 -6.813 5.690 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.536 -5.290 4.830 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.253 -8.960 4.418 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.161 -9.459 2.047 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.208 -4.451 2.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.380 -8.077 -0.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.798 -4.112 -0.114 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.873 -5.901 -1.417 1.00 0.00 H new ATOM 900 N ALA A 62 1.825 -4.332 5.102 1.00 0.00 N ATOM 901 CA ALA A 62 2.407 -3.244 5.877 1.00 0.00 C ATOM 902 C ALA A 62 1.555 -1.983 5.790 1.00 0.00 C ATOM 903 O ALA A 62 1.271 -1.488 4.699 1.00 0.00 O ATOM 904 CB ALA A 62 3.824 -2.960 5.402 1.00 0.00 C ATOM 0 H ALA A 62 2.182 -4.409 4.150 1.00 0.00 H new ATOM 0 HA ALA A 62 2.438 -3.554 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.248 -2.145 5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.436 -3.854 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.805 -2.678 4.349 1.00 0.00 H new ATOM 910 N GLY A 63 1.151 -1.467 6.946 1.00 0.00 N ATOM 911 CA GLY A 63 0.337 -0.266 6.980 1.00 0.00 C ATOM 912 C GLY A 63 1.165 0.984 7.200 1.00 0.00 C ATOM 913 O GLY A 63 1.309 1.452 8.330 1.00 0.00 O ATOM 0 H GLY A 63 1.373 -1.860 7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.212 -0.175 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.403 -0.354 7.776 1.00 0.00 H new ATOM 917 N VAL A 64 1.714 1.524 6.119 1.00 0.00 N ATOM 918 CA VAL A 64 2.536 2.725 6.194 1.00 0.00 C ATOM 919 C VAL A 64 1.677 3.970 6.386 1.00 0.00 C ATOM 920 O VAL A 64 0.596 4.086 5.808 1.00 0.00 O ATOM 921 CB VAL A 64 3.395 2.898 4.927 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.375 4.051 5.093 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.129 1.605 4.600 1.00 0.00 C ATOM 0 H VAL A 64 1.604 1.148 5.177 1.00 0.00 H new ATOM 0 HA VAL A 64 3.192 2.604 7.056 1.00 0.00 H new ATOM 0 HB VAL A 64 2.734 3.136 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.971 4.155 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.824 4.974 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.033 3.851 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.731 1.745 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.778 1.334 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.405 0.808 4.430 1.00 0.00 H new ATOM 933 N GLU A 65 2.167 4.900 7.200 1.00 0.00 N ATOM 934 CA GLU A 65 1.448 6.139 7.468 1.00 0.00 C ATOM 935 C GLU A 65 2.046 7.295 6.674 1.00 0.00 C ATOM 936 O GLU A 65 3.067 7.864 7.060 1.00 0.00 O ATOM 937 CB GLU A 65 1.481 6.461 8.964 1.00 0.00 C ATOM 938 CG GLU A 65 0.605 7.641 9.350 1.00 0.00 C ATOM 939 CD GLU A 65 1.283 8.572 10.338 1.00 0.00 C ATOM 940 OE1 GLU A 65 2.048 9.454 9.893 1.00 0.00 O ATOM 941 OE2 GLU A 65 1.050 8.418 11.555 1.00 0.00 O ATOM 0 H GLU A 65 3.060 4.818 7.686 1.00 0.00 H new ATOM 0 HA GLU A 65 0.412 6.004 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.160 5.582 9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.509 6.670 9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.339 8.200 8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.325 7.272 9.783 1.00 0.00 H new ATOM 948 N LEU A 66 1.406 7.635 5.561 1.00 0.00 N ATOM 949 CA LEU A 66 1.877 8.722 4.710 1.00 0.00 C ATOM 950 C LEU A 66 1.769 10.063 5.430 1.00 0.00 C ATOM 951 O LEU A 66 0.887 10.261 6.264 1.00 0.00 O ATOM 952 CB LEU A 66 1.078 8.760 3.407 1.00 0.00 C ATOM 953 CG LEU A 66 1.039 7.439 2.635 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.280 7.606 1.329 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.450 6.935 2.372 1.00 0.00 C ATOM 0 H LEU A 66 0.560 7.174 5.227 1.00 0.00 H new ATOM 0 HA LEU A 66 2.926 8.541 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.055 9.062 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.501 9.529 2.761 1.00 0.00 H new ATOM 0 HG LEU A 66 0.517 6.700 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.263 6.656 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.742 7.922 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.774 8.359 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.404 5.995 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.996 7.673 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.962 6.776 3.321 1.00 0.00 H new ATOM 967 N ASP A 67 2.673 10.980 5.101 1.00 0.00 N ATOM 968 CA ASP A 67 2.681 12.301 5.716 1.00 0.00 C ATOM 969 C ASP A 67 1.592 13.189 5.121 1.00 0.00 C ATOM 970 O ASP A 67 0.959 13.970 5.830 1.00 0.00 O ATOM 971 CB ASP A 67 4.049 12.963 5.536 1.00 0.00 C ATOM 972 CG ASP A 67 5.087 12.413 6.496 1.00 0.00 C ATOM 973 OD1 ASP A 67 4.958 12.656 7.714 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.030 11.741 6.028 1.00 0.00 O ATOM 0 H ASP A 67 3.410 10.832 4.411 1.00 0.00 H new ATOM 0 HA ASP A 67 2.481 12.177 6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.390 12.814 4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.952 14.038 5.686 1.00 0.00 H new ATOM 979 N LYS A 68 1.380 13.064 3.815 1.00 0.00 N ATOM 980 CA LYS A 68 0.367 13.855 3.127 1.00 0.00 C ATOM 981 C LYS A 68 -0.849 13.001 2.776 1.00 0.00 C ATOM 982 O LYS A 68 -0.726 11.798 2.549 1.00 0.00 O ATOM 983 CB LYS A 68 0.951 14.477 1.856 1.00 0.00 C ATOM 984 CG LYS A 68 1.610 15.827 2.087 1.00 0.00 C ATOM 985 CD LYS A 68 1.561 16.691 0.837 1.00 0.00 C ATOM 986 CE LYS A 68 0.315 17.562 0.809 1.00 0.00 C ATOM 987 NZ LYS A 68 0.378 18.653 1.821 1.00 0.00 N ATOM 0 H LYS A 68 1.896 12.423 3.212 1.00 0.00 H new ATOM 0 HA LYS A 68 0.047 14.651 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.684 13.792 1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.156 14.591 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.109 16.342 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.647 15.680 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.448 17.323 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.581 16.054 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.197 17.995 -0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.564 16.945 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.315 19.390 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.160 18.267 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.333 19.065 1.829 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.045 13.614 2.727 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.287 12.902 2.400 1.00 0.00 C ATOM 1003 C PRO A 69 -3.236 12.252 1.022 1.00 0.00 C ATOM 1004 O PRO A 69 -3.742 12.804 0.044 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.358 14.000 2.433 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.762 15.100 3.241 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.283 15.045 2.984 1.00 0.00 C ATOM 0 HA PRO A 69 -3.478 12.085 3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.606 14.339 1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.282 13.636 2.883 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.173 16.066 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.979 14.968 4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.998 15.661 2.131 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.711 15.402 3.840 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.620 11.077 0.948 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.502 10.354 -0.314 1.00 0.00 C ATOM 1017 C GLU A 70 -3.143 8.973 -0.216 1.00 0.00 C ATOM 1018 O GLU A 70 -3.769 8.500 -1.166 1.00 0.00 O ATOM 1019 CB GLU A 70 -1.032 10.218 -0.712 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.262 11.528 -0.653 1.00 0.00 C ATOM 1021 CD GLU A 70 1.127 11.414 -1.249 1.00 0.00 C ATOM 1022 OE1 GLU A 70 2.067 11.074 -0.500 1.00 0.00 O ATOM 1023 OE2 GLU A 70 1.276 11.665 -2.464 1.00 0.00 O ATOM 0 H GLU A 70 -2.195 10.605 1.746 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.029 10.924 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.552 9.494 -0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.974 9.817 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.820 12.298 -1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.183 11.852 0.385 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.984 8.330 0.936 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.554 7.009 1.133 1.00 0.00 C ATOM 1032 C GLY A 71 -5.064 7.003 0.999 1.00 0.00 C ATOM 1033 O GLY A 71 -5.640 7.879 0.354 1.00 0.00 O ATOM 0 H GLY A 71 -2.471 8.699 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.125 6.320 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.279 6.642 2.122 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.706 6.012 1.608 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.157 5.896 1.553 1.00 0.00 C ATOM 1039 C ASN A 72 -7.687 5.109 2.747 1.00 0.00 C ATOM 1040 O ASN A 72 -8.667 4.373 2.634 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.586 5.219 0.251 1.00 0.00 C ATOM 1042 CG ASN A 72 -7.034 3.813 0.121 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.726 3.707 -0.086 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.773 2.833 0.207 1.00 0.00 N flip ATOM 0 H ASN A 72 -5.244 5.278 2.145 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.578 6.901 1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.674 5.185 0.204 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.249 5.818 -0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.772 2.960 0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.386 1.893 0.119 1.00 0.00 H new ATOM 1051 N ASN A 73 -7.031 5.269 3.893 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.436 4.573 5.109 1.00 0.00 C ATOM 1053 C ASN A 73 -6.944 5.313 6.349 1.00 0.00 C ATOM 1054 O ASN A 73 -6.064 6.168 6.265 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.896 3.141 5.107 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.736 2.208 4.257 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.928 2.026 4.506 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -7.117 1.609 3.245 1.00 0.00 N ATOM 0 H ASN A 73 -6.217 5.874 4.004 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.525 4.543 5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.871 3.143 4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.864 2.766 6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.631 0.970 2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.128 1.788 3.074 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.518 4.976 7.499 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.139 5.609 8.758 1.00 0.00 C ATOM 1067 C ASN A 74 -6.655 4.572 9.766 1.00 0.00 C ATOM 1068 O ASN A 74 -6.856 4.721 10.970 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.321 6.387 9.340 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.544 5.512 9.540 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.440 4.287 9.612 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.710 6.139 9.634 1.00 0.00 N ATOM 0 H ASN A 74 -8.247 4.268 7.586 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.322 6.301 8.554 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.030 6.825 10.295 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.573 7.213 8.674 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.567 5.604 9.772 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.749 7.156 9.569 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.017 3.518 9.264 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.516 2.472 10.137 1.00 0.00 C ATOM 1081 C GLY A 75 -6.478 1.306 10.258 1.00 0.00 C ATOM 1082 O GLY A 75 -6.063 0.173 10.498 1.00 0.00 O ATOM 0 H GLY A 75 -5.839 3.370 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.560 2.112 9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.328 2.888 11.127 1.00 0.00 H new ATOM 1086 N THR A 76 -7.767 1.585 10.093 1.00 0.00 N ATOM 1087 CA THR A 76 -8.790 0.551 10.185 1.00 0.00 C ATOM 1088 C THR A 76 -9.237 0.102 8.798 1.00 0.00 C ATOM 1089 O THR A 76 -9.935 0.831 8.093 1.00 0.00 O ATOM 1090 CB THR A 76 -9.993 1.063 10.980 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.568 1.792 12.119 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.909 -0.042 11.458 1.00 0.00 C ATOM 0 H THR A 76 -8.127 2.518 9.895 1.00 0.00 H new ATOM 0 HA THR A 76 -8.359 -0.306 10.703 1.00 0.00 H new ATOM 0 HB THR A 76 -10.547 1.698 10.288 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.351 2.112 12.613 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.741 0.390 12.014 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.294 -0.593 10.600 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.353 -0.721 12.105 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.828 -1.102 8.412 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.185 -1.648 7.108 1.00 0.00 C ATOM 1102 C TYR A 77 -10.441 -2.511 7.203 1.00 0.00 C ATOM 1103 O TYR A 77 -10.409 -3.614 7.748 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.027 -2.475 6.545 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.107 -2.690 5.051 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.155 -3.410 4.489 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.135 -2.176 4.203 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.230 -3.610 3.124 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.204 -2.372 2.837 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.254 -3.089 2.302 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.326 -3.286 0.942 1.00 0.00 O ATOM 0 H TYR A 77 -8.249 -1.718 8.983 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.389 -0.814 6.437 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.087 -1.977 6.782 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.008 -3.445 7.043 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.922 -3.819 5.129 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.312 -1.614 4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.050 -4.172 2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.440 -1.966 2.191 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.561 -2.853 0.508 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.545 -1.999 6.669 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.811 -2.722 6.694 1.00 0.00 C ATOM 1123 C ASP A 78 -13.256 -2.991 8.128 1.00 0.00 C ATOM 1124 O ASP A 78 -13.912 -3.994 8.406 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.683 -4.042 5.931 1.00 0.00 C ATOM 1126 CG ASP A 78 -14.006 -4.510 5.357 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -14.899 -4.880 6.149 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.150 -4.506 4.117 1.00 0.00 O ATOM 0 H ASP A 78 -11.589 -1.087 6.214 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.565 -2.102 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.962 -3.922 5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.289 -4.808 6.599 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.895 -2.088 9.033 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.265 -2.247 10.427 1.00 0.00 C ATOM 1135 C GLY A 79 -12.125 -2.779 11.273 1.00 0.00 C ATOM 1136 O GLY A 79 -12.045 -2.496 12.468 1.00 0.00 O ATOM 0 H GLY A 79 -12.353 -1.249 8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.591 -1.286 10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.114 -2.926 10.499 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.242 -3.554 10.651 1.00 0.00 N ATOM 1141 CA ILE A 80 -10.100 -4.128 11.353 1.00 0.00 C ATOM 1142 C ILE A 80 -9.030 -3.074 11.616 1.00 0.00 C ATOM 1143 O ILE A 80 -8.377 -2.593 10.690 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.476 -5.288 10.557 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.561 -6.264 10.098 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.430 -6.005 11.397 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.376 -6.840 11.236 1.00 0.00 C ATOM 0 H ILE A 80 -11.296 -3.799 9.662 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.473 -4.509 12.304 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.986 -4.880 9.673 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.229 -5.752 9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.095 -7.080 9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.998 -6.823 10.820 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.644 -5.303 11.676 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.897 -6.404 12.297 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.126 -7.523 10.837 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.719 -7.380 11.917 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.871 -6.032 11.774 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.857 -2.717 12.885 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.867 -1.719 13.271 1.00 0.00 C ATOM 1161 C ALA A 81 -6.463 -2.314 13.281 1.00 0.00 C ATOM 1162 O ALA A 81 -6.287 -3.511 13.509 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.207 -1.139 14.636 1.00 0.00 C ATOM 0 H ALA A 81 -9.390 -3.105 13.663 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.888 -0.917 12.533 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.459 -0.395 14.912 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.190 -0.669 14.597 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.216 -1.937 15.378 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.467 -1.470 13.034 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.077 -1.913 13.015 1.00 0.00 C ATOM 1171 C TYR A 82 -3.165 -0.867 13.649 1.00 0.00 C ATOM 1172 O TYR A 82 -2.326 -1.189 14.490 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.628 -2.194 11.580 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.189 -3.478 11.009 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.630 -4.707 11.335 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.275 -3.459 10.144 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.139 -5.882 10.813 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.790 -4.629 9.619 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.218 -5.838 9.957 1.00 0.00 C ATOM 1180 OH TYR A 82 -5.727 -7.006 9.436 1.00 0.00 O ATOM 0 H TYR A 82 -5.596 -0.476 12.844 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.007 -2.832 13.597 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.930 -1.361 10.944 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.539 -2.239 11.551 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.785 -4.746 12.006 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.725 -2.514 9.877 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.693 -6.830 11.075 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.636 -4.597 8.948 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.114 -6.829 8.553 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.333 0.386 13.240 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.524 1.478 13.768 1.00 0.00 C ATOM 1192 C PHE A 83 -3.332 2.769 13.841 1.00 0.00 C ATOM 1193 O PHE A 83 -4.513 2.796 13.495 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.283 1.689 12.899 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.588 1.781 11.430 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.839 0.638 10.688 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.622 3.011 10.792 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.119 0.720 9.337 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -1.901 3.099 9.441 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.150 1.951 8.713 1.00 0.00 C ATOM 0 H PHE A 83 -4.022 0.670 12.544 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.211 1.209 14.777 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.779 2.602 13.215 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.588 0.867 13.067 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.816 -0.328 11.171 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.428 3.911 11.357 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.313 -0.178 8.770 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.924 4.063 8.955 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.369 2.017 7.657 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.687 3.839 14.294 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.345 5.136 14.413 1.00 0.00 C ATOM 1212 C GLU A 84 -2.779 6.128 13.402 1.00 0.00 C ATOM 1213 O GLU A 84 -1.566 6.211 13.212 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.182 5.687 15.830 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.036 6.913 16.107 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.529 7.724 17.283 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.631 8.569 17.078 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -4.027 7.515 18.409 1.00 0.00 O ATOM 0 H GLU A 84 -1.709 3.834 14.585 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.406 4.997 14.205 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.438 4.906 16.546 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.134 5.939 15.995 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.058 7.544 15.218 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.062 6.600 16.302 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.666 6.877 12.756 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.256 7.863 11.764 1.00 0.00 C ATOM 1227 C CYS A 85 -4.429 8.754 11.366 1.00 0.00 C ATOM 1228 O CYS A 85 -5.515 8.660 11.937 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.687 7.167 10.527 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.883 6.138 9.644 1.00 0.00 S ATOM 0 H CYS A 85 -4.674 6.820 12.902 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.482 8.488 12.208 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.300 7.923 9.844 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.843 6.547 10.828 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.470 4.905 9.633 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.201 9.617 10.382 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.239 10.525 9.907 1.00 0.00 C ATOM 1238 C LYS A 86 -6.379 9.750 9.254 1.00 0.00 C ATOM 1239 O LYS A 86 -6.413 8.519 9.298 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.649 11.528 8.910 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.443 12.915 9.495 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.050 13.067 10.084 1.00 0.00 C ATOM 1243 CE LYS A 86 -2.480 14.450 9.816 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.530 14.875 10.882 1.00 0.00 N ATOM 0 H LYS A 86 -3.308 9.707 9.898 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.637 11.067 10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.693 11.149 8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.310 11.601 8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.595 13.665 8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.189 13.100 10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.087 12.890 11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.390 12.311 9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.970 14.452 8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.294 15.171 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.163 15.823 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.023 14.898 11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.739 14.201 10.931 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.313 10.478 8.649 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.455 9.858 7.987 1.00 0.00 C ATOM 1260 C GLU A 87 -8.011 9.091 6.745 1.00 0.00 C ATOM 1261 O GLU A 87 -8.345 7.919 6.574 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.487 10.923 7.606 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.886 10.622 8.115 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.586 9.553 7.299 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.008 8.458 7.137 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.711 9.810 6.821 1.00 0.00 O ATOM 0 H GLU A 87 -7.301 11.497 8.604 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.911 9.153 8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.165 11.887 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.516 11.017 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.829 10.301 9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.480 11.536 8.096 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.255 9.760 5.881 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.763 9.142 4.655 1.00 0.00 C ATOM 1275 C LYS A 88 -5.258 9.345 4.510 1.00 0.00 C ATOM 1276 O LYS A 88 -4.795 9.992 3.571 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.491 9.722 3.440 1.00 0.00 C ATOM 1278 CG LYS A 88 -9.002 9.587 3.513 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.700 10.816 2.954 1.00 0.00 C ATOM 1280 CE LYS A 88 -11.056 10.466 2.362 1.00 0.00 C ATOM 1281 NZ LYS A 88 -11.784 11.675 1.889 1.00 0.00 N ATOM 0 H LYS A 88 -6.969 10.731 6.007 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.962 8.072 4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.233 10.777 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.133 9.222 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.317 8.704 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.305 9.435 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.827 11.555 3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.075 11.274 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.921 9.775 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.657 9.950 3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.703 11.394 1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.935 12.324 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.223 12.154 1.156 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.499 8.785 5.446 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.046 8.904 5.424 1.00 0.00 C ATOM 1297 C HIS A 89 -2.387 7.528 5.430 1.00 0.00 C ATOM 1298 O HIS A 89 -1.423 7.288 4.704 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.561 9.722 6.622 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.544 11.197 6.371 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.490 12.020 6.701 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.482 12.000 5.808 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.814 13.269 6.338 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -3.013 13.310 5.790 1.00 0.00 N ATOM 0 H HIS A 89 -4.866 8.244 6.229 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.763 9.418 4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.204 9.515 7.477 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.556 9.396 6.892 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.618 11.730 7.143 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.441 11.674 5.433 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.176 14.130 6.476 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.913 6.628 6.255 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.362 5.288 6.338 1.00 0.00 C ATOM 1314 C GLY A 90 -2.786 4.413 5.174 1.00 0.00 C ATOM 1315 O GLY A 90 -3.958 4.400 4.795 1.00 0.00 O ATOM 0 H GLY A 90 -3.710 6.803 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.274 5.347 6.367 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.681 4.825 7.272 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.833 3.683 4.605 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.114 2.804 3.478 1.00 0.00 C ATOM 1321 C ILE A 91 -1.440 1.446 3.658 1.00 0.00 C ATOM 1322 O ILE A 91 -0.265 1.368 4.019 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.648 3.431 2.149 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -2.046 2.544 0.967 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.143 3.657 2.167 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.932 3.236 -0.374 1.00 0.00 C ATOM 0 H ILE A 91 -0.859 3.683 4.907 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.195 2.665 3.444 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.140 4.397 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.416 1.655 0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.073 2.206 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.170 4.100 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.114 4.329 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.366 2.704 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.230 2.548 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.583 4.110 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.901 3.549 -0.535 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.191 0.380 3.404 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.667 -0.974 3.536 1.00 0.00 C ATOM 1340 C PHE A 92 -1.069 -1.458 2.218 1.00 0.00 C ATOM 1341 O PHE A 92 -1.788 -1.678 1.244 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.773 -1.930 3.987 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.374 -1.570 5.316 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.226 -0.484 5.434 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.087 -2.319 6.446 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.781 -0.152 6.655 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.638 -1.991 7.670 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.487 -0.906 7.775 1.00 0.00 C ATOM 0 H PHE A 92 -3.165 0.428 3.105 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.879 -0.959 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.560 -1.943 3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.368 -2.940 4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.459 0.109 4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.425 -3.169 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.444 0.697 6.734 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.405 -2.582 8.543 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.920 -0.648 8.730 1.00 0.00 H new ATOM 1358 N ALA A 93 0.250 -1.623 2.196 1.00 0.00 N ATOM 1359 CA ALA A 93 0.943 -2.081 0.998 1.00 0.00 C ATOM 1360 C ALA A 93 1.729 -3.361 1.273 1.00 0.00 C ATOM 1361 O ALA A 93 2.286 -3.535 2.357 1.00 0.00 O ATOM 1362 CB ALA A 93 1.868 -0.993 0.474 1.00 0.00 C ATOM 0 H ALA A 93 0.860 -1.446 2.994 1.00 0.00 H new ATOM 0 HA ALA A 93 0.194 -2.302 0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.379 -1.349 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.284 -0.106 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.605 -0.743 1.237 1.00 0.00 H new ATOM 1368 N PRO A 94 1.785 -4.279 0.291 1.00 0.00 N ATOM 1369 CA PRO A 94 2.511 -5.547 0.438 1.00 0.00 C ATOM 1370 C PRO A 94 3.958 -5.341 0.877 1.00 0.00 C ATOM 1371 O PRO A 94 4.494 -4.238 0.775 1.00 0.00 O ATOM 1372 CB PRO A 94 2.461 -6.152 -0.967 1.00 0.00 C ATOM 1373 CG PRO A 94 1.260 -5.543 -1.602 1.00 0.00 C ATOM 1374 CD PRO A 94 1.152 -4.155 -1.034 1.00 0.00 C ATOM 0 HA PRO A 94 2.068 -6.181 1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.366 -5.921 -1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.379 -7.238 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.364 -5.514 -2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.365 -6.125 -1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.666 -3.424 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.114 -3.833 -0.955 1.00 0.00 H new ATOM 1382 N PRO A 95 4.611 -6.407 1.369 1.00 0.00 N ATOM 1383 CA PRO A 95 6.006 -6.340 1.820 1.00 0.00 C ATOM 1384 C PRO A 95 6.960 -5.998 0.682 1.00 0.00 C ATOM 1385 O PRO A 95 7.938 -5.274 0.873 1.00 0.00 O ATOM 1386 CB PRO A 95 6.286 -7.751 2.348 1.00 0.00 C ATOM 1387 CG PRO A 95 5.270 -8.618 1.686 1.00 0.00 C ATOM 1388 CD PRO A 95 4.049 -7.760 1.518 1.00 0.00 C ATOM 0 HA PRO A 95 6.155 -5.560 2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.299 -8.071 2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.193 -7.792 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.631 -8.978 0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.050 -9.497 2.293 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.467 -8.053 0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.386 -7.829 2.380 1.00 0.00 H new ATOM 1396 N GLN A 96 6.668 -6.522 -0.504 1.00 0.00 N ATOM 1397 CA GLN A 96 7.496 -6.272 -1.678 1.00 0.00 C ATOM 1398 C GLN A 96 7.615 -4.775 -1.951 1.00 0.00 C ATOM 1399 O GLN A 96 8.603 -4.315 -2.523 1.00 0.00 O ATOM 1400 CB GLN A 96 6.908 -6.978 -2.901 1.00 0.00 C ATOM 1401 CG GLN A 96 5.406 -6.794 -3.045 1.00 0.00 C ATOM 1402 CD GLN A 96 4.964 -6.699 -4.492 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.561 -7.312 -5.377 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.914 -5.926 -4.741 1.00 0.00 N ATOM 0 H GLN A 96 5.863 -7.123 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 96 8.492 -6.668 -1.481 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.400 -6.602 -3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.131 -8.043 -2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.894 -7.630 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.103 -5.890 -2.517 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.449 -5.436 -3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.572 -5.822 -5.696 1.00 0.00 H new ATOM 1413 N LYS A 97 6.601 -4.021 -1.537 1.00 0.00 N ATOM 1414 CA LYS A 97 6.592 -2.578 -1.736 1.00 0.00 C ATOM 1415 C LYS A 97 7.003 -1.850 -0.459 1.00 0.00 C ATOM 1416 O LYS A 97 6.439 -0.811 -0.116 1.00 0.00 O ATOM 1417 CB LYS A 97 5.204 -2.115 -2.180 1.00 0.00 C ATOM 1418 CG LYS A 97 4.614 -2.956 -3.303 1.00 0.00 C ATOM 1419 CD LYS A 97 4.592 -2.197 -4.621 1.00 0.00 C ATOM 1420 CE LYS A 97 3.184 -1.749 -4.982 1.00 0.00 C ATOM 1421 NZ LYS A 97 2.733 -0.607 -4.142 1.00 0.00 N ATOM 0 H LYS A 97 5.776 -4.387 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 97 7.314 -2.337 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.530 -2.142 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.263 -1.077 -2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.197 -3.870 -3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.600 -3.256 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.245 -1.327 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.988 -2.831 -5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.153 -1.461 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.495 -2.584 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.769 -0.332 -4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.738 -0.889 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.376 0.199 -4.278 1.00 0.00 H new ATOM 1435 N ILE A 98 7.988 -2.405 0.241 1.00 0.00 N ATOM 1436 CA ILE A 98 8.475 -1.810 1.479 1.00 0.00 C ATOM 1437 C ILE A 98 9.994 -1.670 1.463 1.00 0.00 C ATOM 1438 O ILE A 98 10.719 -2.662 1.528 1.00 0.00 O ATOM 1439 CB ILE A 98 8.064 -2.651 2.704 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.571 -2.980 2.648 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.402 -1.914 3.991 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.684 -1.756 2.580 1.00 0.00 C ATOM 0 H ILE A 98 8.464 -3.266 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 98 8.022 -0.821 1.554 1.00 0.00 H new ATOM 0 HB ILE A 98 8.623 -3.586 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.378 -3.607 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.303 -3.565 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.106 -2.521 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.475 -1.728 4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.868 -0.964 4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.639 -2.065 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.848 -1.138 3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.924 -1.182 1.685 1.00 0.00 H new ATOM 1454 N SER A 99 10.468 -0.431 1.380 1.00 0.00 N ATOM 1455 CA SER A 99 11.902 -0.162 1.359 1.00 0.00 C ATOM 1456 C SER A 99 12.260 0.952 2.339 1.00 0.00 C ATOM 1457 O SER A 99 11.383 1.547 2.963 1.00 0.00 O ATOM 1458 CB SER A 99 12.351 0.221 -0.053 1.00 0.00 C ATOM 1459 OG SER A 99 12.165 -0.855 -0.957 1.00 0.00 O ATOM 0 H SER A 99 9.881 0.402 1.326 1.00 0.00 H new ATOM 0 HA SER A 99 12.421 -1.071 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.787 1.089 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.402 0.510 -0.038 1.00 0.00 H new ATOM 0 HG SER A 99 12.458 -0.584 -1.852 1.00 0.00 H new ATOM 1465 N HIS A 100 13.554 1.228 2.467 1.00 0.00 N ATOM 1466 CA HIS A 100 14.026 2.271 3.370 1.00 0.00 C ATOM 1467 C HIS A 100 14.127 3.611 2.648 1.00 0.00 C ATOM 1468 O HIS A 100 14.682 3.697 1.553 1.00 0.00 O ATOM 1469 CB HIS A 100 15.386 1.893 3.958 1.00 0.00 C ATOM 1470 CG HIS A 100 15.305 0.863 5.042 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.318 -0.495 4.814 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.211 1.015 6.388 1.00 0.00 C ATOM 1473 CE1 HIS A 100 15.233 -1.112 6.000 1.00 0.00 C ATOM 1474 NE2 HIS A 100 15.166 -0.240 6.987 1.00 0.00 N ATOM 0 H HIS A 100 14.293 0.744 1.957 1.00 0.00 H new ATOM 0 HA HIS A 100 13.303 2.367 4.180 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.026 1.518 3.159 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.863 2.789 4.355 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.177 1.960 6.910 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.221 -2.184 6.131 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.096 -0.444 7.984 1.00 0.00 H new ATOM 1482 N ILE A 101 13.589 4.654 3.269 1.00 0.00 N ATOM 1483 CA ILE A 101 13.620 5.990 2.687 1.00 0.00 C ATOM 1484 C ILE A 101 15.029 6.578 2.742 1.00 0.00 C ATOM 1485 O ILE A 101 15.580 6.781 3.825 1.00 0.00 O ATOM 1486 CB ILE A 101 12.651 6.941 3.415 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.270 6.297 3.544 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.557 8.269 2.678 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.261 7.167 4.261 1.00 0.00 C ATOM 0 H ILE A 101 13.126 4.600 4.176 1.00 0.00 H new ATOM 0 HA ILE A 101 13.308 5.892 1.647 1.00 0.00 H new ATOM 0 HB ILE A 101 13.037 7.131 4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.893 6.063 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.367 5.352 4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.869 8.930 3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.543 8.732 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.192 8.098 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.305 6.646 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.616 7.380 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.134 8.102 3.716 1.00 0.00 H new ATOM 1501 N PRO A 102 15.637 6.864 1.575 1.00 0.00 N ATOM 1502 CA PRO A 102 16.988 7.431 1.510 1.00 0.00 C ATOM 1503 C PRO A 102 17.134 8.679 2.374 1.00 0.00 C ATOM 1504 O PRO A 102 16.167 9.144 2.978 1.00 0.00 O ATOM 1505 CB PRO A 102 17.156 7.783 0.031 1.00 0.00 C ATOM 1506 CG PRO A 102 16.233 6.860 -0.685 1.00 0.00 C ATOM 1507 CD PRO A 102 15.060 6.657 0.233 1.00 0.00 C ATOM 0 HA PRO A 102 17.740 6.736 1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.900 8.825 -0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.187 7.643 -0.295 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.915 7.286 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.723 5.912 -0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.260 7.367 0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.635 5.659 0.128 1.00 0.00 H new