USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 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 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 52:sc= 1.08 USER MOD Single : A 43 SER OG : rot 180:sc= -5.15! USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.47 K(o=-2.5,f=-0.97) USER MOD Single : A 50 MET CE :methyl 180:sc= -0.156 (180deg=-0.156) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -149:sc= -1.21 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 136:sc= 0.966 USER MOD Single : A 76 ASN : amide:sc= -8.96! C(o=-9!,f=-16!) USER MOD Single : A 77 TYR OH : rot 13:sc= 0.794 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.432 -8.642 -15.367 1.00 0.00 N ATOM 324 CA ILE A 26 -2.585 -7.474 -15.538 1.00 0.00 C ATOM 325 C ILE A 26 -1.529 -7.449 -14.431 1.00 0.00 C ATOM 326 O ILE A 26 -1.828 -7.100 -13.290 1.00 0.00 O ATOM 327 CB ILE A 26 -3.433 -6.202 -15.607 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.212 -6.134 -16.922 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.572 -4.957 -15.386 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.286 -5.797 -18.092 1.00 0.00 C ATOM 0 HA ILE A 26 -2.052 -7.526 -16.487 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.165 -6.235 -14.800 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.704 -7.089 -17.107 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.996 -5.381 -16.846 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.199 -4.067 -15.440 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.101 -5.010 -14.405 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.802 -4.906 -16.156 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.865 -5.755 -19.014 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.814 -4.830 -17.916 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.518 -6.565 -18.181 1.00 0.00 H new ATOM 342 N ILE A 27 -0.314 -7.824 -14.807 1.00 0.00 N ATOM 343 CA ILE A 27 0.787 -7.850 -13.860 1.00 0.00 C ATOM 344 C ILE A 27 1.484 -6.488 -13.859 1.00 0.00 C ATOM 345 O ILE A 27 1.951 -6.024 -14.899 1.00 0.00 O ATOM 346 CB ILE A 27 1.726 -9.020 -14.162 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.934 -10.282 -14.509 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.699 -9.255 -13.005 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.161 -10.797 -13.293 1.00 0.00 C ATOM 0 H ILE A 27 -0.069 -8.112 -15.754 1.00 0.00 H new ATOM 0 HA ILE A 27 0.416 -8.021 -12.849 1.00 0.00 H new ATOM 0 HB ILE A 27 2.322 -8.762 -15.037 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.240 -10.068 -15.322 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.614 -11.055 -14.866 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.355 -10.092 -13.245 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.298 -8.358 -12.846 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.138 -9.482 -12.098 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.393 -11.695 -13.568 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.860 -11.033 -12.491 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.535 -10.030 -12.953 1.00 0.00 H new ATOM 361 N VAL A 28 1.532 -5.884 -12.681 1.00 0.00 N ATOM 362 CA VAL A 28 2.164 -4.584 -12.530 1.00 0.00 C ATOM 363 C VAL A 28 3.160 -4.637 -11.371 1.00 0.00 C ATOM 364 O VAL A 28 2.820 -5.079 -10.275 1.00 0.00 O ATOM 365 CB VAL A 28 1.098 -3.501 -12.354 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.186 -3.425 -13.580 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.285 -3.735 -11.079 1.00 0.00 C ATOM 0 H VAL A 28 1.143 -6.271 -11.821 1.00 0.00 H new ATOM 0 HA VAL A 28 2.725 -4.326 -13.428 1.00 0.00 H new ATOM 0 HB VAL A 28 1.607 -2.542 -12.256 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.563 -2.647 -13.429 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.781 -3.189 -14.462 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.311 -4.384 -13.724 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.466 -2.951 -10.977 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.208 -4.705 -11.135 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.949 -3.715 -10.215 1.00 0.00 H new ATOM 377 N VAL A 29 4.372 -4.180 -11.652 1.00 0.00 N ATOM 378 CA VAL A 29 5.420 -4.170 -10.646 1.00 0.00 C ATOM 379 C VAL A 29 5.344 -2.865 -9.850 1.00 0.00 C ATOM 380 O VAL A 29 5.055 -1.809 -10.409 1.00 0.00 O ATOM 381 CB VAL A 29 6.782 -4.388 -11.306 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.301 -3.094 -11.935 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.792 -4.957 -10.307 1.00 0.00 C ATOM 0 H VAL A 29 4.651 -3.814 -12.562 1.00 0.00 H new ATOM 0 HA VAL A 29 5.280 -4.990 -9.942 1.00 0.00 H new ATOM 0 HB VAL A 29 6.653 -5.119 -12.104 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.271 -3.278 -12.397 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.597 -2.750 -12.693 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.405 -2.331 -11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.752 -5.102 -10.803 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.914 -4.261 -9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.431 -5.913 -9.929 1.00 0.00 H new ATOM 393 N ALA A 30 5.610 -2.981 -8.557 1.00 0.00 N ATOM 394 CA ALA A 30 5.576 -1.824 -7.679 1.00 0.00 C ATOM 395 C ALA A 30 6.821 -0.968 -7.922 1.00 0.00 C ATOM 396 O ALA A 30 7.942 -1.412 -7.679 1.00 0.00 O ATOM 397 CB ALA A 30 5.463 -2.290 -6.226 1.00 0.00 C ATOM 0 H ALA A 30 5.850 -3.859 -8.096 1.00 0.00 H new ATOM 0 HA ALA A 30 4.704 -1.205 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.437 -1.422 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.548 -2.869 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.323 -2.911 -5.975 1.00 0.00 H new ATOM 403 N LEU A 31 6.581 0.245 -8.401 1.00 0.00 N ATOM 404 CA LEU A 31 7.669 1.167 -8.679 1.00 0.00 C ATOM 405 C LEU A 31 8.250 1.677 -7.359 1.00 0.00 C ATOM 406 O LEU A 31 9.456 1.895 -7.250 1.00 0.00 O ATOM 407 CB LEU A 31 7.199 2.281 -9.616 1.00 0.00 C ATOM 408 CG LEU A 31 6.920 1.867 -11.062 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.674 3.093 -11.945 1.00 0.00 C ATOM 410 CD2 LEU A 31 8.045 0.985 -11.608 1.00 0.00 C ATOM 0 H LEU A 31 5.650 0.610 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 31 8.476 0.657 -9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.290 2.718 -9.202 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.955 3.066 -9.623 1.00 0.00 H new ATOM 0 HG LEU A 31 6.008 1.270 -11.076 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.478 2.771 -12.968 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.814 3.646 -11.568 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.554 3.735 -11.929 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.821 0.705 -12.637 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.986 1.535 -11.578 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.131 0.086 -10.998 1.00 0.00 H new ATOM 422 N TYR A 32 7.365 1.854 -6.388 1.00 0.00 N ATOM 423 CA TYR A 32 7.775 2.335 -5.080 1.00 0.00 C ATOM 424 C TYR A 32 7.098 1.534 -3.965 1.00 0.00 C ATOM 425 O TYR A 32 5.982 1.048 -4.135 1.00 0.00 O ATOM 426 CB TYR A 32 7.309 3.790 -5.001 1.00 0.00 C ATOM 427 CG TYR A 32 7.378 4.539 -6.334 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.556 5.140 -6.728 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.261 4.614 -7.142 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.621 5.845 -7.982 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.325 5.318 -8.396 1.00 0.00 C ATOM 432 CZ TYR A 32 7.502 5.899 -8.754 1.00 0.00 C ATOM 433 OH TYR A 32 7.562 6.564 -9.939 1.00 0.00 O ATOM 0 H TYR A 32 6.366 1.673 -6.482 1.00 0.00 H new ATOM 0 HA TYR A 32 8.853 2.234 -4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.282 3.813 -4.636 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.920 4.317 -4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.430 5.082 -6.096 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.339 4.144 -6.833 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.537 6.320 -8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.459 5.383 -9.038 1.00 0.00 H new ATOM 0 HH TYR A 32 6.690 6.519 -10.384 1.00 0.00 H new ATOM 443 N ASP A 33 7.804 1.422 -2.849 1.00 0.00 N ATOM 444 CA ASP A 33 7.287 0.688 -1.708 1.00 0.00 C ATOM 445 C ASP A 33 6.001 1.357 -1.217 1.00 0.00 C ATOM 446 O ASP A 33 5.930 2.582 -1.126 1.00 0.00 O ATOM 447 CB ASP A 33 8.290 0.689 -0.552 1.00 0.00 C ATOM 448 CG ASP A 33 9.721 0.312 -0.937 1.00 0.00 C ATOM 449 OD1 ASP A 33 9.876 -0.757 -1.567 1.00 0.00 O ATOM 450 OD2 ASP A 33 10.629 1.100 -0.594 1.00 0.00 O ATOM 0 H ASP A 33 8.730 1.828 -2.711 1.00 0.00 H new ATOM 0 HA ASP A 33 7.101 -0.338 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.301 1.681 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.941 -0.005 0.213 1.00 0.00 H new ATOM 455 N TYR A 34 5.016 0.524 -0.916 1.00 0.00 N ATOM 456 CA TYR A 34 3.736 1.019 -0.438 1.00 0.00 C ATOM 457 C TYR A 34 3.249 0.208 0.764 1.00 0.00 C ATOM 458 O TYR A 34 3.175 -1.019 0.702 1.00 0.00 O ATOM 459 CB TYR A 34 2.754 0.833 -1.596 1.00 0.00 C ATOM 460 CG TYR A 34 1.377 1.453 -1.348 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.196 2.813 -1.497 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.316 0.653 -0.976 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.100 3.397 -1.264 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.979 1.236 -0.743 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.123 2.579 -0.899 1.00 0.00 C ATOM 466 OH TYR A 34 -2.348 3.130 -0.680 1.00 0.00 O ATOM 0 H TYR A 34 5.078 -0.491 -0.994 1.00 0.00 H new ATOM 0 HA TYR A 34 3.819 2.059 -0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.182 1.273 -2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.632 -0.233 -1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.026 3.439 -1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.457 -0.411 -0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.256 4.460 -1.377 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.817 0.621 -0.451 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.602 3.680 -1.450 1.00 0.00 H new ATOM 476 N GLU A 35 2.929 0.925 1.831 1.00 0.00 N ATOM 477 CA GLU A 35 2.451 0.288 3.047 1.00 0.00 C ATOM 478 C GLU A 35 1.018 0.728 3.348 1.00 0.00 C ATOM 479 O GLU A 35 0.741 1.263 4.420 1.00 0.00 O ATOM 480 CB GLU A 35 3.377 0.590 4.226 1.00 0.00 C ATOM 481 CG GLU A 35 3.991 -0.695 4.785 1.00 0.00 C ATOM 482 CD GLU A 35 4.141 -0.614 6.306 1.00 0.00 C ATOM 483 OE1 GLU A 35 5.069 0.098 6.747 1.00 0.00 O ATOM 484 OE2 GLU A 35 3.324 -1.266 6.992 1.00 0.00 O ATOM 0 H GLU A 35 2.991 1.942 1.879 1.00 0.00 H new ATOM 0 HA GLU A 35 2.454 -0.791 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.170 1.267 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.818 1.101 5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.363 -1.546 4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.966 -0.865 4.328 1.00 0.00 H new ATOM 491 N ALA A 36 0.143 0.486 2.382 1.00 0.00 N ATOM 492 CA ALA A 36 -1.256 0.851 2.532 1.00 0.00 C ATOM 493 C ALA A 36 -1.351 2.221 3.206 1.00 0.00 C ATOM 494 O ALA A 36 -1.612 2.311 4.404 1.00 0.00 O ATOM 495 CB ALA A 36 -1.988 -0.238 3.319 1.00 0.00 C ATOM 0 H ALA A 36 0.376 0.042 1.494 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.739 0.928 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.037 0.037 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.916 -1.185 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.533 -0.343 4.304 1.00 0.00 H new ATOM 569 N ASP A 41 -6.790 -0.627 0.757 1.00 0.00 N ATOM 570 CA ASP A 41 -5.628 -0.628 -0.116 1.00 0.00 C ATOM 571 C ASP A 41 -4.694 -1.772 0.288 1.00 0.00 C ATOM 572 O ASP A 41 -4.656 -2.165 1.453 1.00 0.00 O ATOM 573 CB ASP A 41 -4.848 0.682 0.001 1.00 0.00 C ATOM 574 CG ASP A 41 -4.865 1.559 -1.252 1.00 0.00 C ATOM 575 OD1 ASP A 41 -5.805 2.375 -1.363 1.00 0.00 O ATOM 576 OD2 ASP A 41 -3.935 1.393 -2.072 1.00 0.00 O ATOM 0 HA ASP A 41 -5.977 -0.748 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.255 1.256 0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.812 0.450 0.250 1.00 0.00 H new ATOM 581 N LEU A 42 -3.965 -2.274 -0.698 1.00 0.00 N ATOM 582 CA LEU A 42 -3.035 -3.364 -0.460 1.00 0.00 C ATOM 583 C LEU A 42 -1.623 -2.796 -0.293 1.00 0.00 C ATOM 584 O LEU A 42 -1.275 -1.795 -0.917 1.00 0.00 O ATOM 585 CB LEU A 42 -3.147 -4.415 -1.566 1.00 0.00 C ATOM 586 CG LEU A 42 -2.510 -5.774 -1.267 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.396 -6.601 -0.332 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.184 -6.524 -2.560 1.00 0.00 C ATOM 0 H LEU A 42 -4.000 -1.946 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.284 -3.882 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.203 -4.571 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.690 -4.013 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.567 -5.602 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.920 -7.562 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.533 -6.065 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.366 -6.766 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.732 -7.486 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.100 -6.685 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.487 -5.935 -3.156 1.00 0.00 H new ATOM 600 N SER A 43 -0.849 -3.461 0.553 1.00 0.00 N ATOM 601 CA SER A 43 0.516 -3.035 0.810 1.00 0.00 C ATOM 602 C SER A 43 1.493 -3.897 0.008 1.00 0.00 C ATOM 603 O SER A 43 1.311 -5.108 -0.103 1.00 0.00 O ATOM 604 CB SER A 43 0.844 -3.111 2.303 1.00 0.00 C ATOM 605 OG SER A 43 0.590 -1.876 2.968 1.00 0.00 O ATOM 0 H SER A 43 -1.141 -4.291 1.069 1.00 0.00 H new ATOM 0 HA SER A 43 0.615 -1.996 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.251 -3.900 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.892 -3.383 2.431 1.00 0.00 H new ATOM 0 HG SER A 43 0.810 -1.965 3.919 1.00 0.00 H new ATOM 611 N PHE A 44 2.508 -3.238 -0.532 1.00 0.00 N ATOM 612 CA PHE A 44 3.513 -3.929 -1.321 1.00 0.00 C ATOM 613 C PHE A 44 4.855 -3.196 -1.261 1.00 0.00 C ATOM 614 O PHE A 44 4.953 -2.119 -0.675 1.00 0.00 O ATOM 615 CB PHE A 44 3.016 -3.942 -2.767 1.00 0.00 C ATOM 616 CG PHE A 44 2.527 -2.581 -3.270 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.421 -1.664 -3.727 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.199 -2.289 -3.258 1.00 0.00 C ATOM 619 CE1 PHE A 44 2.968 -0.402 -4.192 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.746 -1.027 -3.724 1.00 0.00 C ATOM 621 CZ PHE A 44 1.639 -0.109 -4.181 1.00 0.00 C ATOM 0 H PHE A 44 2.656 -2.233 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 44 3.662 -4.937 -0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.822 -4.289 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.204 -4.663 -2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.476 -1.896 -3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.489 -3.017 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.678 0.326 -4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.309 -0.796 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.294 0.851 -4.535 1.00 0.00 H new ATOM 631 N GLN A 45 5.856 -3.809 -1.877 1.00 0.00 N ATOM 632 CA GLN A 45 7.187 -3.228 -1.902 1.00 0.00 C ATOM 633 C GLN A 45 7.617 -2.948 -3.344 1.00 0.00 C ATOM 634 O GLN A 45 7.081 -3.539 -4.280 1.00 0.00 O ATOM 635 CB GLN A 45 8.195 -4.137 -1.195 1.00 0.00 C ATOM 636 CG GLN A 45 7.933 -4.178 0.311 1.00 0.00 C ATOM 637 CD GLN A 45 8.736 -5.298 0.976 1.00 0.00 C ATOM 638 OE1 GLN A 45 8.275 -6.417 1.136 1.00 0.00 O ATOM 639 NE2 GLN A 45 9.959 -4.937 1.355 1.00 0.00 N ATOM 0 H GLN A 45 5.771 -4.702 -2.362 1.00 0.00 H new ATOM 0 HA GLN A 45 7.160 -2.282 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.133 -5.145 -1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.207 -3.779 -1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.200 -3.220 0.757 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.869 -4.329 0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.283 -3.984 1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.573 -5.613 1.809 1.00 0.00 H new ATOM 648 N LYS A 46 8.581 -2.049 -3.476 1.00 0.00 N ATOM 649 CA LYS A 46 9.090 -1.685 -4.788 1.00 0.00 C ATOM 650 C LYS A 46 9.659 -2.928 -5.473 1.00 0.00 C ATOM 651 O LYS A 46 10.706 -3.437 -5.074 1.00 0.00 O ATOM 652 CB LYS A 46 10.090 -0.532 -4.672 1.00 0.00 C ATOM 653 CG LYS A 46 11.094 -0.562 -5.827 1.00 0.00 C ATOM 654 CD LYS A 46 11.687 0.827 -6.073 1.00 0.00 C ATOM 655 CE LYS A 46 11.959 1.052 -7.562 1.00 0.00 C ATOM 656 NZ LYS A 46 13.409 0.961 -7.843 1.00 0.00 N ATOM 0 H LYS A 46 9.023 -1.562 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 46 8.284 -1.315 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.557 0.419 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.620 -0.599 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.893 -1.268 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.602 -0.917 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.000 1.590 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.614 0.935 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.421 0.310 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.585 2.031 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.576 1.116 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.915 1.685 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.756 0.018 -7.575 1.00 0.00 H new ATOM 670 N GLY A 47 8.945 -3.382 -6.492 1.00 0.00 N ATOM 671 CA GLY A 47 9.367 -4.556 -7.237 1.00 0.00 C ATOM 672 C GLY A 47 8.372 -5.706 -7.058 1.00 0.00 C ATOM 673 O GLY A 47 8.526 -6.764 -7.663 1.00 0.00 O ATOM 0 H GLY A 47 8.077 -2.958 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.455 -4.308 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.355 -4.869 -6.900 1.00 0.00 H new ATOM 677 N ASP A 48 7.374 -5.456 -6.222 1.00 0.00 N ATOM 678 CA ASP A 48 6.355 -6.457 -5.955 1.00 0.00 C ATOM 679 C ASP A 48 5.419 -6.559 -7.161 1.00 0.00 C ATOM 680 O ASP A 48 5.006 -5.544 -7.719 1.00 0.00 O ATOM 681 CB ASP A 48 5.515 -6.075 -4.735 1.00 0.00 C ATOM 682 CG ASP A 48 4.849 -7.250 -4.015 1.00 0.00 C ATOM 683 OD1 ASP A 48 4.737 -8.318 -4.655 1.00 0.00 O ATOM 684 OD2 ASP A 48 4.468 -7.053 -2.840 1.00 0.00 O ATOM 0 H ASP A 48 7.250 -4.576 -5.722 1.00 0.00 H new ATOM 0 HA ASP A 48 6.856 -7.406 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.152 -5.547 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.741 -5.375 -5.050 1.00 0.00 H new ATOM 689 N GLN A 49 5.111 -7.796 -7.526 1.00 0.00 N ATOM 690 CA GLN A 49 4.231 -8.044 -8.656 1.00 0.00 C ATOM 691 C GLN A 49 2.838 -8.441 -8.166 1.00 0.00 C ATOM 692 O GLN A 49 2.699 -9.344 -7.342 1.00 0.00 O ATOM 693 CB GLN A 49 4.814 -9.116 -9.580 1.00 0.00 C ATOM 694 CG GLN A 49 6.187 -8.696 -10.108 1.00 0.00 C ATOM 695 CD GLN A 49 6.217 -8.720 -11.638 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.884 -9.531 -12.259 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.459 -7.788 -12.208 1.00 0.00 N ATOM 0 H GLN A 49 5.455 -8.636 -7.060 1.00 0.00 H new ATOM 0 HA GLN A 49 4.143 -7.123 -9.233 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.901 -10.059 -9.040 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.136 -9.289 -10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.427 -7.694 -9.752 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.952 -9.366 -9.715 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.925 -7.140 -11.629 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.411 -7.721 -13.225 1.00 0.00 H new ATOM 706 N MET A 50 1.840 -7.747 -8.693 1.00 0.00 N ATOM 707 CA MET A 50 0.461 -8.015 -8.319 1.00 0.00 C ATOM 708 C MET A 50 -0.391 -8.321 -9.552 1.00 0.00 C ATOM 709 O MET A 50 -0.114 -7.824 -10.642 1.00 0.00 O ATOM 710 CB MET A 50 -0.116 -6.803 -7.586 1.00 0.00 C ATOM 711 CG MET A 50 0.767 -6.408 -6.400 1.00 0.00 C ATOM 712 SD MET A 50 0.330 -4.773 -5.832 1.00 0.00 S ATOM 713 CE MET A 50 1.723 -3.847 -6.454 1.00 0.00 C ATOM 0 H MET A 50 1.959 -6.999 -9.376 1.00 0.00 H new ATOM 0 HA MET A 50 0.445 -8.886 -7.664 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.202 -5.963 -8.276 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.122 -7.031 -7.235 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.646 -7.128 -5.590 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.816 -6.432 -6.693 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.611 -2.796 -6.186 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.643 -4.236 -6.018 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.768 -3.942 -7.539 1.00 0.00 H new ATOM 723 N VAL A 51 -1.413 -9.138 -9.338 1.00 0.00 N ATOM 724 CA VAL A 51 -2.308 -9.516 -10.419 1.00 0.00 C ATOM 725 C VAL A 51 -3.534 -8.600 -10.403 1.00 0.00 C ATOM 726 O VAL A 51 -4.503 -8.866 -9.692 1.00 0.00 O ATOM 727 CB VAL A 51 -2.667 -10.999 -10.306 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.810 -11.360 -11.258 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.443 -11.881 -10.559 1.00 0.00 C ATOM 0 H VAL A 51 -1.641 -9.548 -8.432 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.818 -9.387 -11.384 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.008 -11.185 -9.287 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.046 -12.419 -11.158 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.691 -10.767 -11.010 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.509 -11.151 -12.284 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.726 -12.930 -10.473 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.058 -11.690 -11.561 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.671 -11.652 -9.824 1.00 0.00 H new ATOM 739 N VAL A 52 -3.452 -7.541 -11.194 1.00 0.00 N ATOM 740 CA VAL A 52 -4.543 -6.585 -11.280 1.00 0.00 C ATOM 741 C VAL A 52 -5.804 -7.300 -11.768 1.00 0.00 C ATOM 742 O VAL A 52 -5.860 -7.761 -12.908 1.00 0.00 O ATOM 743 CB VAL A 52 -4.138 -5.409 -12.172 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.371 -4.724 -12.767 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.273 -4.410 -11.402 1.00 0.00 C ATOM 0 H VAL A 52 -2.647 -7.324 -11.781 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.766 -6.169 -10.298 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.542 -5.802 -12.996 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.056 -3.892 -13.397 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.932 -5.441 -13.367 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.004 -4.351 -11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.999 -3.584 -12.059 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.833 -4.025 -10.549 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.370 -4.907 -11.048 1.00 0.00 H new ATOM 755 N LEU A 53 -6.787 -7.370 -10.882 1.00 0.00 N ATOM 756 CA LEU A 53 -8.044 -8.021 -11.208 1.00 0.00 C ATOM 757 C LEU A 53 -9.048 -6.971 -11.687 1.00 0.00 C ATOM 758 O LEU A 53 -9.605 -7.090 -12.777 1.00 0.00 O ATOM 759 CB LEU A 53 -8.541 -8.851 -10.024 1.00 0.00 C ATOM 760 CG LEU A 53 -7.474 -9.647 -9.268 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.018 -10.163 -7.934 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.915 -10.776 -10.135 1.00 0.00 C ATOM 0 H LEU A 53 -6.738 -6.986 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.905 -8.727 -12.027 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.035 -8.182 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.297 -9.548 -10.386 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.645 -8.977 -9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.240 -10.725 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.328 -9.320 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.874 -10.812 -8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.159 -11.325 -9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.722 -11.453 -10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.465 -10.355 -11.034 1.00 0.00 H new ATOM 774 N GLU A 54 -9.248 -5.965 -10.848 1.00 0.00 N ATOM 775 CA GLU A 54 -10.175 -4.893 -11.171 1.00 0.00 C ATOM 776 C GLU A 54 -9.428 -3.566 -11.303 1.00 0.00 C ATOM 777 O GLU A 54 -8.474 -3.310 -10.569 1.00 0.00 O ATOM 778 CB GLU A 54 -11.286 -4.796 -10.125 1.00 0.00 C ATOM 779 CG GLU A 54 -12.497 -5.642 -10.528 1.00 0.00 C ATOM 780 CD GLU A 54 -13.012 -5.237 -11.910 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.689 -4.188 -11.978 1.00 0.00 O ATOM 782 OE2 GLU A 54 -12.718 -5.985 -12.867 1.00 0.00 O ATOM 0 H GLU A 54 -8.784 -5.870 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.642 -5.120 -12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.910 -5.131 -9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.588 -3.756 -10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.223 -6.697 -10.533 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.291 -5.522 -9.791 1.00 0.00 H new ATOM 822 N GLU A 58 -8.201 4.667 -11.113 1.00 0.00 N ATOM 823 CA GLU A 58 -6.806 4.825 -10.737 1.00 0.00 C ATOM 824 C GLU A 58 -6.312 3.581 -9.995 1.00 0.00 C ATOM 825 O GLU A 58 -5.525 2.804 -10.534 1.00 0.00 O ATOM 826 CB GLU A 58 -6.604 6.084 -9.890 1.00 0.00 C ATOM 827 CG GLU A 58 -7.221 7.307 -10.572 1.00 0.00 C ATOM 828 CD GLU A 58 -6.193 8.016 -11.458 1.00 0.00 C ATOM 829 OE1 GLU A 58 -5.702 7.356 -12.397 1.00 0.00 O ATOM 830 OE2 GLU A 58 -5.923 9.203 -11.173 1.00 0.00 O ATOM 0 HA GLU A 58 -6.217 4.941 -11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.057 5.943 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.539 6.251 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.076 7.000 -11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.595 7.999 -9.817 1.00 0.00 H new ATOM 837 N TRP A 59 -6.796 3.430 -8.771 1.00 0.00 N ATOM 838 CA TRP A 59 -6.415 2.293 -7.950 1.00 0.00 C ATOM 839 C TRP A 59 -7.053 1.040 -8.552 1.00 0.00 C ATOM 840 O TRP A 59 -8.210 1.067 -8.968 1.00 0.00 O ATOM 841 CB TRP A 59 -6.802 2.519 -6.487 1.00 0.00 C ATOM 842 CG TRP A 59 -6.316 3.851 -5.912 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.797 5.078 -6.152 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.225 4.040 -4.985 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.101 6.040 -5.450 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.114 5.389 -4.719 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.362 3.102 -4.392 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.152 5.922 -3.853 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.406 3.651 -3.530 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.280 5.007 -3.251 1.00 0.00 C ATOM 0 H TRP A 59 -7.449 4.076 -8.328 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.333 2.164 -7.947 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.887 2.471 -6.398 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.396 1.706 -5.885 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.626 5.288 -6.812 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.278 7.044 -5.465 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.431 2.042 -4.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.086 6.982 -3.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.717 2.973 -3.047 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.513 5.353 -2.573 1.00 0.00 H new ATOM 861 N TRP A 60 -6.271 -0.030 -8.577 1.00 0.00 N ATOM 862 CA TRP A 60 -6.746 -1.290 -9.121 1.00 0.00 C ATOM 863 C TRP A 60 -6.646 -2.347 -8.020 1.00 0.00 C ATOM 864 O TRP A 60 -5.789 -2.256 -7.141 1.00 0.00 O ATOM 865 CB TRP A 60 -5.971 -1.669 -10.385 1.00 0.00 C ATOM 866 CG TRP A 60 -5.767 -0.509 -11.361 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.561 0.553 -11.558 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.661 -0.335 -12.272 1.00 0.00 C ATOM 869 NE1 TRP A 60 -6.049 1.394 -12.525 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.858 0.837 -12.973 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.532 -1.142 -12.496 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.966 1.308 -13.944 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.650 -0.657 -13.470 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.834 0.520 -14.183 1.00 0.00 C ATOM 0 H TRP A 60 -5.312 -0.050 -8.229 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.787 -1.208 -9.432 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.997 -2.063 -10.097 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.501 -2.472 -10.897 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.485 0.728 -11.027 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.468 2.265 -12.851 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.358 -2.063 -11.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.142 2.229 -14.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.765 -1.239 -13.681 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.106 0.827 -14.920 1.00 0.00 H new ATOM 885 N LYS A 61 -7.534 -3.327 -8.101 1.00 0.00 N ATOM 886 CA LYS A 61 -7.557 -4.400 -7.122 1.00 0.00 C ATOM 887 C LYS A 61 -6.721 -5.573 -7.638 1.00 0.00 C ATOM 888 O LYS A 61 -7.201 -6.381 -8.430 1.00 0.00 O ATOM 889 CB LYS A 61 -8.999 -4.779 -6.776 1.00 0.00 C ATOM 890 CG LYS A 61 -9.037 -5.909 -5.745 1.00 0.00 C ATOM 891 CD LYS A 61 -10.029 -6.997 -6.161 1.00 0.00 C ATOM 892 CE LYS A 61 -10.721 -7.604 -4.939 1.00 0.00 C ATOM 893 NZ LYS A 61 -11.940 -8.338 -5.344 1.00 0.00 N ATOM 0 H LYS A 61 -8.243 -3.400 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.104 -4.072 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.524 -3.907 -6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.524 -5.089 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.042 -6.341 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.318 -5.508 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.776 -6.575 -6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.507 -7.778 -6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.037 -8.279 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.982 -6.816 -4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.397 -8.743 -4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.598 -7.685 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.683 -9.103 -6.000 1.00 0.00 H new ATOM 907 N ALA A 62 -5.484 -5.629 -7.167 1.00 0.00 N ATOM 908 CA ALA A 62 -4.576 -6.689 -7.570 1.00 0.00 C ATOM 909 C ALA A 62 -4.208 -7.532 -6.347 1.00 0.00 C ATOM 910 O ALA A 62 -4.425 -7.111 -5.211 1.00 0.00 O ATOM 911 CB ALA A 62 -3.348 -6.078 -8.249 1.00 0.00 C ATOM 0 H ALA A 62 -5.089 -4.957 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.054 -7.350 -8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.666 -6.873 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.661 -5.514 -9.128 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.841 -5.411 -7.552 1.00 0.00 H new ATOM 917 N ARG A 63 -3.656 -8.704 -6.622 1.00 0.00 N ATOM 918 CA ARG A 63 -3.255 -9.610 -5.558 1.00 0.00 C ATOM 919 C ARG A 63 -1.732 -9.734 -5.513 1.00 0.00 C ATOM 920 O ARG A 63 -1.088 -9.902 -6.548 1.00 0.00 O ATOM 921 CB ARG A 63 -3.868 -10.998 -5.756 1.00 0.00 C ATOM 922 CG ARG A 63 -3.010 -12.076 -5.092 1.00 0.00 C ATOM 923 CD ARG A 63 -2.129 -12.787 -6.120 1.00 0.00 C ATOM 924 NE ARG A 63 -2.963 -13.634 -7.002 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.492 -14.661 -7.722 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.191 -14.975 -7.669 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.323 -15.375 -8.495 1.00 0.00 N ATOM 0 H ARG A 63 -3.477 -9.048 -7.565 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.617 -9.197 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.874 -11.019 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.963 -11.209 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.384 -11.624 -4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.653 -12.802 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.585 -12.053 -6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.385 -13.400 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.959 -13.423 -7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.559 -14.432 -7.080 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.832 -15.757 -8.217 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.314 -15.136 -8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.964 -16.157 -9.043 1.00 0.00 H new ATOM 941 N SER A 64 -1.198 -9.648 -4.303 1.00 0.00 N ATOM 942 CA SER A 64 0.239 -9.750 -4.110 1.00 0.00 C ATOM 943 C SER A 64 0.711 -11.170 -4.426 1.00 0.00 C ATOM 944 O SER A 64 0.119 -12.142 -3.959 1.00 0.00 O ATOM 945 CB SER A 64 0.631 -9.365 -2.682 1.00 0.00 C ATOM 946 OG SER A 64 1.985 -8.930 -2.599 1.00 0.00 O ATOM 0 H SER A 64 -1.735 -9.509 -3.447 1.00 0.00 H new ATOM 0 HA SER A 64 0.726 -9.053 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.027 -8.572 -2.327 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.484 -10.220 -2.023 1.00 0.00 H new ATOM 0 HG SER A 64 2.196 -8.692 -1.672 1.00 0.00 H new ATOM 952 N LEU A 65 1.771 -11.246 -5.217 1.00 0.00 N ATOM 953 CA LEU A 65 2.329 -12.531 -5.601 1.00 0.00 C ATOM 954 C LEU A 65 3.340 -12.979 -4.544 1.00 0.00 C ATOM 955 O LEU A 65 4.098 -13.923 -4.765 1.00 0.00 O ATOM 956 CB LEU A 65 2.907 -12.464 -7.015 1.00 0.00 C ATOM 957 CG LEU A 65 1.945 -12.817 -8.151 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.609 -12.091 -7.984 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.581 -12.542 -9.515 1.00 0.00 C ATOM 0 H LEU A 65 2.259 -10.437 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 65 1.547 -13.290 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.283 -11.455 -7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.763 -13.137 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 65 1.738 -13.886 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.056 -12.360 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.153 -12.381 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.777 -11.014 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.876 -12.802 -10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.837 -11.485 -9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.484 -13.143 -9.623 1.00 0.00 H new ATOM 971 N ALA A 66 3.319 -12.282 -3.417 1.00 0.00 N ATOM 972 CA ALA A 66 4.224 -12.596 -2.326 1.00 0.00 C ATOM 973 C ALA A 66 3.415 -13.073 -1.119 1.00 0.00 C ATOM 974 O ALA A 66 3.968 -13.653 -0.185 1.00 0.00 O ATOM 975 CB ALA A 66 5.083 -11.371 -2.005 1.00 0.00 C ATOM 0 H ALA A 66 2.689 -11.501 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 66 4.900 -13.403 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.762 -11.607 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.661 -11.091 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.439 -10.541 -1.714 1.00 0.00 H new ATOM 981 N THR A 67 2.117 -12.810 -1.176 1.00 0.00 N ATOM 982 CA THR A 67 1.226 -13.206 -0.098 1.00 0.00 C ATOM 983 C THR A 67 -0.188 -13.437 -0.634 1.00 0.00 C ATOM 984 O THR A 67 -1.156 -13.405 0.124 1.00 0.00 O ATOM 985 CB THR A 67 1.295 -12.133 0.991 1.00 0.00 C ATOM 986 OG1 THR A 67 1.346 -10.906 0.267 1.00 0.00 O ATOM 987 CG2 THR A 67 2.617 -12.166 1.762 1.00 0.00 C ATOM 0 H THR A 67 1.662 -12.328 -1.951 1.00 0.00 H new ATOM 0 HA THR A 67 1.533 -14.155 0.341 1.00 0.00 H new ATOM 0 HB THR A 67 0.466 -12.267 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.861 -10.246 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.614 -11.385 2.522 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.735 -13.138 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.445 -11.998 1.073 1.00 0.00 H new ATOM 995 N ARG A 68 -0.264 -13.663 -1.937 1.00 0.00 N ATOM 996 CA ARG A 68 -1.543 -13.899 -2.583 1.00 0.00 C ATOM 997 C ARG A 68 -2.628 -13.029 -1.947 1.00 0.00 C ATOM 998 O ARG A 68 -3.794 -13.418 -1.900 1.00 0.00 O ATOM 999 CB ARG A 68 -1.951 -15.371 -2.475 1.00 0.00 C ATOM 1000 CG ARG A 68 -2.713 -15.633 -1.175 1.00 0.00 C ATOM 1001 CD ARG A 68 -2.367 -17.011 -0.605 1.00 0.00 C ATOM 1002 NE ARG A 68 -2.235 -16.931 0.867 1.00 0.00 N ATOM 1003 CZ ARG A 68 -3.265 -16.757 1.705 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -4.511 -16.643 1.222 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -3.052 -16.696 3.026 1.00 0.00 N ATOM 0 H ARG A 68 0.541 -13.688 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.435 -13.639 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.574 -15.643 -3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.063 -16.002 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.469 -14.862 -0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.786 -15.570 -1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.143 -17.729 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.436 -17.372 -1.043 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.301 -17.014 1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.674 -16.689 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.295 -16.511 1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.105 -16.782 3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.837 -16.563 3.664 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.206 -11.866 -1.473 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.126 -10.936 -0.842 1.00 0.00 C ATOM 1021 C LYS A 69 -4.050 -10.338 -1.905 1.00 0.00 C ATOM 1022 O LYS A 69 -3.915 -10.640 -3.090 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.359 -9.886 -0.034 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.073 -10.388 1.383 1.00 0.00 C ATOM 1025 CD LYS A 69 -0.969 -9.560 2.045 1.00 0.00 C ATOM 1026 CE LYS A 69 -0.952 -9.780 3.559 1.00 0.00 C ATOM 1027 NZ LYS A 69 0.325 -9.305 4.136 1.00 0.00 N ATOM 0 H LYS A 69 -1.238 -11.547 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.759 -11.457 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.421 -9.649 -0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.938 -8.963 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.982 -10.334 1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.776 -11.436 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.002 -9.834 1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.123 -8.503 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.786 -9.250 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.087 -10.839 3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.321 -9.461 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.115 -9.830 3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.438 -8.290 3.941 1.00 0.00 H new ATOM 1041 N GLU A 70 -4.968 -9.501 -1.443 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.914 -8.859 -2.341 1.00 0.00 C ATOM 1043 C GLU A 70 -6.354 -7.509 -1.769 1.00 0.00 C ATOM 1044 O GLU A 70 -6.785 -7.428 -0.620 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.119 -9.762 -2.604 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.819 -10.768 -3.717 1.00 0.00 C ATOM 1047 CD GLU A 70 -8.008 -11.703 -3.947 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -9.146 -11.238 -3.723 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -7.752 -12.860 -4.342 1.00 0.00 O ATOM 0 H GLU A 70 -5.077 -9.253 -0.460 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.419 -8.684 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.385 -10.294 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.980 -9.154 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.586 -10.236 -4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.937 -11.353 -3.455 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.230 -6.483 -2.598 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.609 -5.141 -2.190 1.00 0.00 C ATOM 1058 C GLY A 71 -6.281 -4.122 -3.284 1.00 0.00 C ATOM 1059 O GLY A 71 -5.484 -4.401 -4.178 1.00 0.00 O ATOM 0 H GLY A 71 -5.872 -6.554 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.676 -5.112 -1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.086 -4.875 -1.271 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.913 -2.963 -3.177 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.699 -1.901 -4.146 1.00 0.00 C ATOM 1065 C TYR A 72 -5.281 -1.335 -4.033 1.00 0.00 C ATOM 1066 O TYR A 72 -4.791 -1.093 -2.931 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.703 -0.801 -3.795 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.159 -1.178 -4.075 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.487 -1.852 -5.233 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.146 -0.840 -3.171 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.858 -2.206 -5.499 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.516 -1.194 -3.435 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.805 -1.859 -4.586 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.099 -2.193 -4.835 1.00 0.00 O ATOM 0 H TYR A 72 -7.574 -2.735 -2.434 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.828 -2.276 -5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.599 -0.552 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.455 0.097 -4.361 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.715 -2.115 -5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.890 -0.310 -2.266 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.128 -2.734 -6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.297 -0.937 -2.735 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.665 -1.883 -4.097 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.663 -1.140 -5.189 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.313 -0.607 -5.235 1.00 0.00 C ATOM 1086 C ILE A 73 -3.259 0.549 -6.235 1.00 0.00 C ATOM 1087 O ILE A 73 -4.029 0.582 -7.194 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.307 -1.721 -5.530 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.724 -2.525 -6.764 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.105 -2.616 -4.305 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.593 -2.574 -7.793 1.00 0.00 C ATOM 0 H ILE A 73 -5.073 -1.342 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.031 -0.202 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.345 -1.261 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.995 -3.538 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.610 -2.076 -7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.385 -3.400 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.730 -2.017 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.056 -3.069 -4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.915 -3.151 -8.660 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.341 -1.561 -8.105 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.717 -3.046 -7.348 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.318 1.495 -5.971 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.154 2.649 -6.837 1.00 0.00 C ATOM 1105 C PRO A 74 -1.451 2.263 -8.139 1.00 0.00 C ATOM 1106 O PRO A 74 -0.465 1.528 -8.123 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.364 3.652 -6.011 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.717 2.851 -4.893 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.387 1.488 -4.846 1.00 0.00 C ATOM 0 HA PRO A 74 -3.106 3.075 -7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.611 4.153 -6.620 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.016 4.428 -5.609 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.353 2.744 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.832 3.366 -3.939 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.657 0.684 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.908 1.335 -3.901 1.00 0.00 H new ATOM 1117 N SER A 75 -1.986 2.775 -9.239 1.00 0.00 N ATOM 1118 CA SER A 75 -1.422 2.493 -10.548 1.00 0.00 C ATOM 1119 C SER A 75 -0.225 3.410 -10.811 1.00 0.00 C ATOM 1120 O SER A 75 0.644 3.084 -11.617 1.00 0.00 O ATOM 1121 CB SER A 75 -2.472 2.662 -11.647 1.00 0.00 C ATOM 1122 OG SER A 75 -1.928 3.265 -12.818 1.00 0.00 O ATOM 0 H SER A 75 -2.804 3.384 -9.250 1.00 0.00 H new ATOM 0 HA SER A 75 -1.086 1.456 -10.560 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.890 1.688 -11.902 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.293 3.273 -11.273 1.00 0.00 H new ATOM 0 HG SER A 75 -2.247 2.786 -13.611 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.220 4.537 -10.115 1.00 0.00 N ATOM 1129 CA ASN A 76 0.855 5.503 -10.264 1.00 0.00 C ATOM 1130 C ASN A 76 2.101 4.988 -9.541 1.00 0.00 C ATOM 1131 O ASN A 76 3.175 5.578 -9.649 1.00 0.00 O ATOM 1132 CB ASN A 76 0.474 6.851 -9.648 1.00 0.00 C ATOM 1133 CG ASN A 76 0.606 6.815 -8.124 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.626 5.765 -7.503 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.694 8.016 -7.560 1.00 0.00 N ATOM 0 H ASN A 76 -0.943 4.803 -9.446 1.00 0.00 H new ATOM 0 HA ASN A 76 1.045 5.634 -11.329 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.115 7.634 -10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.550 7.103 -9.922 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.785 8.098 -6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.671 8.855 -8.140 1.00 0.00 H new ATOM 1142 N TYR A 77 1.917 3.893 -8.817 1.00 0.00 N ATOM 1143 CA TYR A 77 3.011 3.293 -8.075 1.00 0.00 C ATOM 1144 C TYR A 77 3.408 1.944 -8.680 1.00 0.00 C ATOM 1145 O TYR A 77 4.374 1.323 -8.240 1.00 0.00 O ATOM 1146 CB TYR A 77 2.486 3.067 -6.656 1.00 0.00 C ATOM 1147 CG TYR A 77 3.065 4.031 -5.618 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.098 5.386 -5.878 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.554 3.545 -4.423 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.643 6.293 -4.900 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.099 4.451 -3.446 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.116 5.781 -3.734 1.00 0.00 C ATOM 1153 OH TYR A 77 4.631 6.637 -2.811 1.00 0.00 O ATOM 0 H TYR A 77 1.025 3.406 -8.729 1.00 0.00 H new ATOM 0 HA TYR A 77 3.889 3.938 -8.097 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.400 3.164 -6.661 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.713 2.045 -6.354 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.716 5.766 -6.814 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.528 2.484 -4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.675 7.356 -5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.485 4.084 -2.507 1.00 0.00 H new ATOM 0 HH TYR A 77 4.396 7.557 -3.051 1.00 0.00 H new ATOM 1163 N VAL A 78 2.642 1.532 -9.680 1.00 0.00 N ATOM 1164 CA VAL A 78 2.902 0.268 -10.349 1.00 0.00 C ATOM 1165 C VAL A 78 3.336 0.540 -11.791 1.00 0.00 C ATOM 1166 O VAL A 78 3.323 1.684 -12.241 1.00 0.00 O ATOM 1167 CB VAL A 78 1.671 -0.636 -10.255 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.128 -0.677 -8.825 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.588 -0.191 -11.241 1.00 0.00 C ATOM 0 H VAL A 78 1.842 2.050 -10.043 1.00 0.00 H new ATOM 0 HA VAL A 78 3.717 -0.264 -9.859 1.00 0.00 H new ATOM 0 HB VAL A 78 1.976 -1.647 -10.526 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.253 -1.326 -8.786 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.896 -1.063 -8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.847 0.329 -8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.276 -0.850 -11.154 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.288 0.832 -11.015 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.980 -0.238 -12.257 1.00 0.00 H new ATOM 1179 N ALA A 79 3.710 -0.532 -12.474 1.00 0.00 N ATOM 1180 CA ALA A 79 4.147 -0.424 -13.856 1.00 0.00 C ATOM 1181 C ALA A 79 4.040 -1.794 -14.529 1.00 0.00 C ATOM 1182 O ALA A 79 4.848 -2.683 -14.267 1.00 0.00 O ATOM 1183 CB ALA A 79 5.570 0.137 -13.898 1.00 0.00 C ATOM 0 H ALA A 79 3.719 -1.479 -12.096 1.00 0.00 H new ATOM 0 HA ALA A 79 3.508 0.265 -14.408 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.899 0.218 -14.934 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.586 1.123 -13.434 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.240 -0.530 -13.356 1.00 0.00 H new ATOM 1189 N ARG A 80 3.034 -1.920 -15.383 1.00 0.00 N ATOM 1190 CA ARG A 80 2.811 -3.166 -16.096 1.00 0.00 C ATOM 1191 C ARG A 80 4.147 -3.813 -16.466 1.00 0.00 C ATOM 1192 O ARG A 80 5.083 -3.126 -16.872 1.00 0.00 O ATOM 1193 CB ARG A 80 1.995 -2.934 -17.369 1.00 0.00 C ATOM 1194 CG ARG A 80 0.510 -3.212 -17.126 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.115 -3.936 -18.320 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.278 -3.172 -18.824 1.00 0.00 N ATOM 1197 CZ ARG A 80 -1.900 -3.428 -19.983 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.474 -4.428 -20.765 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -2.948 -2.681 -20.360 1.00 0.00 N ATOM 0 H ARG A 80 2.365 -1.180 -15.597 1.00 0.00 H new ATOM 0 HA ARG A 80 2.253 -3.830 -15.436 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.126 -1.906 -17.707 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.364 -3.581 -18.165 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.392 -3.817 -16.227 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.015 -2.273 -16.950 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.624 -4.053 -19.112 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.428 -4.938 -18.025 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.628 -2.402 -18.253 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.676 -4.995 -20.478 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.948 -4.623 -21.647 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.271 -1.918 -19.765 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.422 -2.875 -21.242 1.00 0.00 H new ATOM 1213 N VAL A 81 4.195 -5.129 -16.313 1.00 0.00 N ATOM 1214 CA VAL A 81 5.400 -5.876 -16.626 1.00 0.00 C ATOM 1215 C VAL A 81 5.666 -5.799 -18.131 1.00 0.00 C ATOM 1216 O VAL A 81 6.815 -5.856 -18.565 1.00 0.00 O ATOM 1217 CB VAL A 81 5.274 -7.312 -16.113 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.982 -8.280 -17.261 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.530 -7.733 -15.347 1.00 0.00 C ATOM 0 H VAL A 81 3.417 -5.697 -15.976 1.00 0.00 H new ATOM 0 HA VAL A 81 6.262 -5.440 -16.121 1.00 0.00 H new ATOM 0 HB VAL A 81 4.432 -7.348 -15.421 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.897 -9.294 -16.869 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.047 -7.999 -17.745 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.794 -8.238 -17.987 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.414 -8.757 -14.993 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.396 -7.672 -16.006 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.676 -7.069 -14.495 1.00 0.00 H new ATOM 1229 N ASP A 82 4.584 -5.674 -18.885 1.00 0.00 N ATOM 1230 CA ASP A 82 4.686 -5.589 -20.332 1.00 0.00 C ATOM 1231 C ASP A 82 4.978 -4.142 -20.734 1.00 0.00 C ATOM 1232 O ASP A 82 4.960 -3.808 -21.918 1.00 0.00 O ATOM 1233 CB ASP A 82 3.376 -6.011 -21.001 1.00 0.00 C ATOM 1234 CG ASP A 82 3.537 -6.907 -22.230 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.049 -6.392 -23.247 1.00 0.00 O ATOM 1236 OD2 ASP A 82 3.146 -8.090 -22.125 1.00 0.00 O ATOM 0 H ASP A 82 3.632 -5.630 -18.521 1.00 0.00 H new ATOM 0 HA ASP A 82 5.487 -6.255 -20.654 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.763 -6.534 -20.267 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.829 -5.114 -21.293 1.00 0.00 H new ATOM 1241 N SER A 83 5.242 -3.323 -19.728 1.00 0.00 N ATOM 1242 CA SER A 83 5.538 -1.920 -19.962 1.00 0.00 C ATOM 1243 C SER A 83 6.894 -1.563 -19.351 1.00 0.00 C ATOM 1244 O SER A 83 7.142 -0.405 -19.013 1.00 0.00 O ATOM 1245 CB SER A 83 4.442 -1.022 -19.386 1.00 0.00 C ATOM 1246 OG SER A 83 3.450 -0.700 -20.356 1.00 0.00 O ATOM 0 H SER A 83 5.257 -3.604 -18.748 1.00 0.00 H new ATOM 0 HA SER A 83 5.577 -1.753 -21.038 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.972 -1.522 -18.539 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.889 -0.103 -19.006 1.00 0.00 H new ATOM 0 HG SER A 83 2.768 -0.127 -19.948 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.574 11.065 -5.169 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.861 11.460 -6.372 1.00 0.00 C ATOM 1380 C PRO B 124 -4.474 10.814 -6.425 1.00 0.00 C ATOM 1381 O PRO B 124 -3.469 11.506 -6.574 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.808 12.978 -6.318 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.077 13.353 -4.869 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.626 12.122 -4.164 1.00 0.00 C ATOM 0 HA PRO B 124 -6.356 11.125 -7.283 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.835 13.347 -6.643 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.553 13.419 -6.980 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.161 13.693 -4.386 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.791 14.175 -4.813 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.027 11.867 -3.290 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.645 12.287 -3.815 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.466 9.495 -6.301 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.220 8.749 -6.333 1.00 0.00 C ATOM 1394 C LEU B 125 -2.312 9.231 -5.200 1.00 0.00 C ATOM 1395 O LEU B 125 -2.393 10.386 -4.784 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.576 8.838 -7.717 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.164 7.920 -8.791 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.856 8.449 -10.194 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.683 6.479 -8.603 1.00 0.00 C ATOM 0 H LEU B 125 -5.302 8.924 -6.178 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.408 7.689 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.652 9.868 -8.066 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.514 8.613 -7.617 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.248 7.915 -8.680 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.285 7.778 -10.938 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.287 9.443 -10.311 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.776 8.503 -10.334 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.115 5.847 -9.379 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.596 6.446 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -2.995 6.116 -7.624 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.445 8.299 -4.720 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.523 8.618 -3.644 1.00 0.00 C ATOM 1413 C PRO B 126 0.633 9.483 -4.151 1.00 0.00 C ATOM 1414 O PRO B 126 0.868 9.566 -5.355 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.068 7.272 -3.105 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.385 6.259 -4.192 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.322 6.922 -5.188 1.00 0.00 C ATOM 0 HA PRO B 126 -0.985 9.212 -2.855 1.00 0.00 H new ATOM 0 HB2 PRO B 126 0.998 7.282 -2.879 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.587 7.026 -2.179 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.529 5.932 -4.687 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.850 5.371 -3.763 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.918 6.882 -6.199 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.291 6.424 -5.212 1.00 0.00 H new ATOM 1425 N PRO B 127 1.343 10.119 -3.182 1.00 0.00 N ATOM 1426 CA PRO B 127 2.469 10.973 -3.517 1.00 0.00 C ATOM 1427 C PRO B 127 3.691 10.141 -3.913 1.00 0.00 C ATOM 1428 O PRO B 127 4.174 9.329 -3.126 1.00 0.00 O ATOM 1429 CB PRO B 127 2.704 11.820 -2.277 1.00 0.00 C ATOM 1430 CG PRO B 127 2.010 11.093 -1.138 1.00 0.00 C ATOM 1431 CD PRO B 127 1.094 10.043 -1.746 1.00 0.00 C ATOM 0 HA PRO B 127 2.273 11.605 -4.383 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.770 11.932 -2.077 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.297 12.823 -2.406 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.743 10.626 -0.480 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.437 11.794 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.318 9.050 -1.358 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.049 10.248 -1.514 1.00 0.00 H new ATOM 1439 N LEU B 128 4.154 10.371 -5.133 1.00 0.00 N ATOM 1440 CA LEU B 128 5.310 9.653 -5.642 1.00 0.00 C ATOM 1441 C LEU B 128 6.527 9.973 -4.774 1.00 0.00 C ATOM 1442 O LEU B 128 6.774 11.133 -4.448 1.00 0.00 O ATOM 1443 CB LEU B 128 5.517 9.956 -7.128 1.00 0.00 C ATOM 1444 CG LEU B 128 4.686 9.122 -8.105 1.00 0.00 C ATOM 1445 CD1 LEU B 128 5.139 9.354 -9.547 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.716 7.640 -7.725 1.00 0.00 C ATOM 0 H LEU B 128 3.750 11.044 -5.784 1.00 0.00 H new ATOM 0 HA LEU B 128 5.148 8.577 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.293 11.009 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.571 9.812 -7.364 1.00 0.00 H new ATOM 0 HG LEU B 128 3.649 9.450 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.532 8.749 -10.221 1.00 0.00 H new ATOM 0 HD12 LEU B 128 5.022 10.408 -9.800 1.00 0.00 H new ATOM 0 HD13 LEU B 128 6.187 9.071 -9.649 1.00 0.00 H new ATOM 0 HD21 LEU B 128 4.117 7.070 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.745 7.280 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.307 7.513 -6.723 1.00 0.00 H new ATOM 1458 N PRO B 129 7.276 8.895 -4.414 1.00 0.00 N ATOM 1459 CA PRO B 129 8.463 9.050 -3.589 1.00 0.00 C ATOM 1460 C PRO B 129 9.623 9.629 -4.402 1.00 0.00 C ATOM 1461 O PRO B 129 10.522 10.257 -3.845 1.00 0.00 O ATOM 1462 CB PRO B 129 8.751 7.658 -3.050 1.00 0.00 C ATOM 1463 CG PRO B 129 8.000 6.696 -3.957 1.00 0.00 C ATOM 1464 CD PRO B 129 7.014 7.508 -4.782 1.00 0.00 C ATOM 0 HA PRO B 129 8.319 9.757 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.821 7.449 -3.060 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.417 7.562 -2.017 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.694 6.163 -4.607 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.476 5.945 -3.366 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.164 7.347 -5.850 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.985 7.227 -4.558 1.00 0.00 H new