USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= -1.67! C(o=-12!,f=-18!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -10.5! C(o=-12!,f=-19!) USER MOD Set 2.1: A 59 MET CE :methyl -137:sc= 0 (180deg=-0.639) USER MOD Set 2.2: A 60 ASN : amide:sc= -2.9! C(o=-2.3!,f=-6.2!) USER MOD Set 2.3: A 61 SER OG : rot 87:sc= 0.594 USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= -1.89 USER MOD Set 3.2: A 43 HIS : no HD1:sc= -10.1! C(o=-12!,f=-12!) USER MOD Set 4.1: A 39 LYS NZ :NH3+ -165:sc= -0.0498 (180deg=0) USER MOD Set 4.2: A 41 THR OG1 : rot -100:sc= -0.993 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -52:sc= 0.0525 USER MOD Single : A 32 SER OG : rot 145:sc= -3.34! USER MOD Single : A 35 HIS : no HE2:sc= -16.2! C(o=-16!,f=-27!) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.0565 (180deg=-0.652) USER MOD Single : A 40 MET CE :methyl -160:sc= -12.6! (180deg=-14.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -3.16! USER MOD Single : A 52 CYS SG : rot 60:sc= -11.4! USER MOD Single : A 53 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1.5!) USER MOD Single : A 55 GLN : amide:sc= 0.951 K(o=0.95,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 76 THR OG1 : rot 49:sc= -0.822! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc=-0.00455 (180deg=-0.00455) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.39 K(o=-1.4,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 310 N TYR A 21 75.450 2.205 -8.884 1.00 0.00 N ATOM 311 CA TYR A 21 76.516 2.955 -8.162 1.00 0.00 C ATOM 312 C TYR A 21 75.977 3.636 -6.905 1.00 0.00 C ATOM 313 O TYR A 21 74.869 4.136 -6.873 1.00 0.00 O ATOM 314 CB TYR A 21 77.011 4.015 -9.141 1.00 0.00 C ATOM 315 CG TYR A 21 77.660 3.357 -10.332 1.00 0.00 C ATOM 316 CD1 TYR A 21 78.999 2.943 -10.268 1.00 0.00 C ATOM 317 CD2 TYR A 21 76.926 3.170 -11.508 1.00 0.00 C ATOM 318 CE1 TYR A 21 79.598 2.345 -11.382 1.00 0.00 C ATOM 319 CE2 TYR A 21 77.527 2.570 -12.619 1.00 0.00 C ATOM 320 CZ TYR A 21 78.862 2.157 -12.556 1.00 0.00 C ATOM 321 OH TYR A 21 79.455 1.571 -13.659 1.00 0.00 O ATOM 0 HA TYR A 21 77.307 2.278 -7.839 1.00 0.00 H new ATOM 0 HB2 TYR A 21 76.177 4.636 -9.468 1.00 0.00 H new ATOM 0 HB3 TYR A 21 77.725 4.674 -8.646 1.00 0.00 H new ATOM 0 HD1 TYR A 21 79.566 3.086 -9.360 1.00 0.00 H new ATOM 0 HD2 TYR A 21 75.895 3.489 -11.558 1.00 0.00 H new ATOM 0 HE1 TYR A 21 80.629 2.028 -11.335 1.00 0.00 H new ATOM 0 HE2 TYR A 21 76.960 2.425 -13.527 1.00 0.00 H new ATOM 0 HH TYR A 21 78.804 1.515 -14.389 1.00 0.00 H new ATOM 331 N ILE A 22 76.777 3.670 -5.878 1.00 0.00 N ATOM 332 CA ILE A 22 76.362 4.325 -4.614 1.00 0.00 C ATOM 333 C ILE A 22 77.392 5.385 -4.270 1.00 0.00 C ATOM 334 O ILE A 22 78.470 5.397 -4.823 1.00 0.00 O ATOM 335 CB ILE A 22 76.395 3.206 -3.574 1.00 0.00 C ATOM 336 CG1 ILE A 22 77.864 2.778 -3.324 1.00 0.00 C ATOM 337 CG2 ILE A 22 75.569 2.036 -4.107 1.00 0.00 C ATOM 338 CD1 ILE A 22 78.117 1.309 -3.707 1.00 0.00 C ATOM 0 H ILE A 22 77.713 3.265 -5.863 1.00 0.00 H new ATOM 0 HA ILE A 22 75.383 4.800 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 22 75.974 3.544 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 22 78.530 3.421 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 22 78.109 2.924 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 22 75.578 1.224 -3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 22 74.542 2.362 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.997 1.687 -5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 22 79.160 1.057 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 22 77.471 0.662 -3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 22 77.899 1.166 -4.765 1.00 0.00 H new ATOM 350 N LYS A 23 77.108 6.245 -3.344 1.00 0.00 N ATOM 351 CA LYS A 23 78.127 7.252 -2.969 1.00 0.00 C ATOM 352 C LYS A 23 78.853 6.738 -1.732 1.00 0.00 C ATOM 353 O LYS A 23 78.328 6.751 -0.638 1.00 0.00 O ATOM 354 CB LYS A 23 77.346 8.539 -2.681 1.00 0.00 C ATOM 355 CG LYS A 23 78.324 9.699 -2.499 1.00 0.00 C ATOM 356 CD LYS A 23 77.562 10.953 -2.046 1.00 0.00 C ATOM 357 CE LYS A 23 76.778 11.549 -3.220 1.00 0.00 C ATOM 358 NZ LYS A 23 76.155 12.780 -2.661 1.00 0.00 N ATOM 0 H LYS A 23 76.226 6.296 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 23 78.873 7.436 -3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 23 76.661 8.752 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.740 8.416 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 23 79.082 9.436 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 23 78.846 9.897 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 23 76.879 10.699 -1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 23 78.262 11.691 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 23 77.434 11.781 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 23 76.024 10.854 -3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 75.597 13.253 -3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 75.533 12.525 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 76.899 13.423 -2.324 1.00 0.00 H new ATOM 372 N LEU A 24 80.057 6.269 -1.904 1.00 0.00 N ATOM 373 CA LEU A 24 80.812 5.734 -0.744 1.00 0.00 C ATOM 374 C LEU A 24 82.074 6.556 -0.523 1.00 0.00 C ATOM 375 O LEU A 24 82.863 6.755 -1.422 1.00 0.00 O ATOM 376 CB LEU A 24 81.168 4.298 -1.117 1.00 0.00 C ATOM 377 CG LEU A 24 81.905 3.635 0.045 1.00 0.00 C ATOM 378 CD1 LEU A 24 81.715 2.118 -0.028 1.00 0.00 C ATOM 379 CD2 LEU A 24 83.398 3.962 -0.048 1.00 0.00 C ATOM 0 H LEU A 24 80.548 6.234 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 24 80.233 5.777 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.263 3.738 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 24 81.792 4.288 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 24 81.505 4.008 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 24 82.241 1.645 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 24 80.653 1.881 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 24 82.116 1.746 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 24 83.926 3.490 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 24 83.794 3.587 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 83.538 5.042 0.001 1.00 0.00 H new ATOM 391 N LYS A 25 82.278 7.023 0.665 1.00 0.00 N ATOM 392 CA LYS A 25 83.496 7.822 0.927 1.00 0.00 C ATOM 393 C LYS A 25 84.341 7.133 1.988 1.00 0.00 C ATOM 394 O LYS A 25 83.843 6.682 3.003 1.00 0.00 O ATOM 395 CB LYS A 25 82.989 9.174 1.419 1.00 0.00 C ATOM 396 CG LYS A 25 82.222 8.988 2.730 1.00 0.00 C ATOM 397 CD LYS A 25 81.328 10.200 2.994 1.00 0.00 C ATOM 398 CE LYS A 25 80.607 10.002 4.329 1.00 0.00 C ATOM 399 NZ LYS A 25 79.772 11.221 4.509 1.00 0.00 N ATOM 0 H LYS A 25 81.659 6.888 1.464 1.00 0.00 H new ATOM 0 HA LYS A 25 84.125 7.934 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 25 83.827 9.855 1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 25 82.341 9.626 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 25 81.616 8.084 2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 25 82.923 8.857 3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 25 81.926 11.111 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 25 80.604 10.317 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 25 79.992 9.102 4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 25 81.318 9.888 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.249 11.154 5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 80.384 12.062 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 79.099 11.300 3.720 1.00 0.00 H new ATOM 413 N VAL A 26 85.613 7.043 1.758 1.00 0.00 N ATOM 414 CA VAL A 26 86.495 6.383 2.745 1.00 0.00 C ATOM 415 C VAL A 26 87.674 7.292 3.067 1.00 0.00 C ATOM 416 O VAL A 26 88.080 8.112 2.264 1.00 0.00 O ATOM 417 CB VAL A 26 86.966 5.100 2.066 1.00 0.00 C ATOM 418 CG1 VAL A 26 85.757 4.344 1.508 1.00 0.00 C ATOM 419 CG2 VAL A 26 87.918 5.439 0.929 1.00 0.00 C ATOM 0 H VAL A 26 86.082 7.400 0.925 1.00 0.00 H new ATOM 0 HA VAL A 26 85.987 6.172 3.686 1.00 0.00 H new ATOM 0 HB VAL A 26 87.483 4.477 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 26 86.093 3.428 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 26 85.076 4.095 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 26 85.240 4.970 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 26 88.252 4.520 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.405 6.065 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.781 5.975 1.324 1.00 0.00 H new ATOM 429 N ILE A 27 88.220 7.162 4.239 1.00 0.00 N ATOM 430 CA ILE A 27 89.370 8.020 4.620 1.00 0.00 C ATOM 431 C ILE A 27 90.444 7.183 5.334 1.00 0.00 C ATOM 432 O ILE A 27 90.146 6.193 5.976 1.00 0.00 O ATOM 433 CB ILE A 27 88.756 9.075 5.541 1.00 0.00 C ATOM 434 CG1 ILE A 27 88.010 8.389 6.685 1.00 0.00 C ATOM 435 CG2 ILE A 27 87.758 9.930 4.757 1.00 0.00 C ATOM 436 CD1 ILE A 27 87.775 9.398 7.806 1.00 0.00 C ATOM 0 H ILE A 27 87.919 6.497 4.951 1.00 0.00 H new ATOM 0 HA ILE A 27 89.873 8.475 3.767 1.00 0.00 H new ATOM 0 HB ILE A 27 89.555 9.702 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 27 87.058 7.994 6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 27 88.588 7.543 7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 27 87.323 10.680 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 27 88.272 10.426 3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 27 86.967 9.294 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 27 87.243 8.914 8.625 1.00 0.00 H new ATOM 0 HD12 ILE A 27 88.734 9.772 8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 27 87.180 10.230 7.428 1.00 0.00 H new ATOM 448 N GLY A 28 91.694 7.554 5.213 1.00 0.00 N ATOM 449 CA GLY A 28 92.773 6.756 5.867 1.00 0.00 C ATOM 450 C GLY A 28 93.326 7.480 7.099 1.00 0.00 C ATOM 451 O GLY A 28 93.154 8.671 7.269 1.00 0.00 O ATOM 0 H GLY A 28 92.012 8.371 4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 28 92.382 5.781 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 28 93.579 6.576 5.155 1.00 0.00 H new ATOM 455 N GLN A 29 94.006 6.750 7.948 1.00 0.00 N ATOM 456 CA GLN A 29 94.602 7.348 9.183 1.00 0.00 C ATOM 457 C GLN A 29 95.504 8.533 8.837 1.00 0.00 C ATOM 458 O GLN A 29 95.696 9.433 9.634 1.00 0.00 O ATOM 459 CB GLN A 29 95.425 6.215 9.808 1.00 0.00 C ATOM 460 CG GLN A 29 96.017 6.676 11.142 1.00 0.00 C ATOM 461 CD GLN A 29 97.121 5.707 11.573 1.00 0.00 C ATOM 462 OE1 GLN A 29 98.228 6.119 11.860 1.00 0.00 O ATOM 463 NE2 GLN A 29 96.864 4.427 11.629 1.00 0.00 N ATOM 0 H GLN A 29 94.176 5.750 7.836 1.00 0.00 H new ATOM 0 HA GLN A 29 93.837 7.730 9.860 1.00 0.00 H new ATOM 0 HB2 GLN A 29 94.795 5.339 9.963 1.00 0.00 H new ATOM 0 HB3 GLN A 29 96.224 5.917 9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 29 96.421 7.684 11.044 1.00 0.00 H new ATOM 0 HG3 GLN A 29 95.238 6.718 11.903 1.00 0.00 H new ATOM 0 HE21 GLN A 29 95.935 4.082 11.388 1.00 0.00 H new ATOM 0 HE22 GLN A 29 97.593 3.773 11.914 1.00 0.00 H new ATOM 472 N ASP A 30 96.060 8.542 7.660 1.00 0.00 N ATOM 473 CA ASP A 30 96.958 9.664 7.258 1.00 0.00 C ATOM 474 C ASP A 30 96.149 10.906 6.868 1.00 0.00 C ATOM 475 O ASP A 30 96.566 11.688 6.037 1.00 0.00 O ATOM 476 CB ASP A 30 97.736 9.128 6.060 1.00 0.00 C ATOM 477 CG ASP A 30 96.766 8.853 4.916 1.00 0.00 C ATOM 478 OD1 ASP A 30 95.577 8.827 5.180 1.00 0.00 O ATOM 479 OD2 ASP A 30 97.226 8.664 3.801 1.00 0.00 O ATOM 0 H ASP A 30 95.932 7.818 6.953 1.00 0.00 H new ATOM 0 HA ASP A 30 97.613 9.974 8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.490 9.851 5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.264 8.214 6.333 1.00 0.00 H new ATOM 484 N SER A 31 94.999 11.101 7.462 1.00 0.00 N ATOM 485 CA SER A 31 94.179 12.299 7.131 1.00 0.00 C ATOM 486 C SER A 31 93.739 12.251 5.673 1.00 0.00 C ATOM 487 O SER A 31 93.503 13.272 5.057 1.00 0.00 O ATOM 488 CB SER A 31 95.123 13.476 7.362 1.00 0.00 C ATOM 489 OG SER A 31 94.364 14.667 7.516 1.00 0.00 O ATOM 0 H SER A 31 94.594 10.480 8.163 1.00 0.00 H new ATOM 0 HA SER A 31 93.272 12.366 7.732 1.00 0.00 H new ATOM 0 HB2 SER A 31 95.730 13.301 8.251 1.00 0.00 H new ATOM 0 HB3 SER A 31 95.810 13.576 6.522 1.00 0.00 H new ATOM 0 HG SER A 31 93.744 14.759 6.763 1.00 0.00 H new ATOM 495 N SER A 32 93.617 11.081 5.113 1.00 0.00 N ATOM 496 CA SER A 32 93.190 10.992 3.689 1.00 0.00 C ATOM 497 C SER A 32 91.666 10.967 3.592 1.00 0.00 C ATOM 498 O SER A 32 91.000 10.221 4.282 1.00 0.00 O ATOM 499 CB SER A 32 93.784 9.683 3.160 1.00 0.00 C ATOM 500 OG SER A 32 95.198 9.789 3.134 1.00 0.00 O ATOM 0 H SER A 32 93.793 10.189 5.575 1.00 0.00 H new ATOM 0 HA SER A 32 93.532 11.850 3.110 1.00 0.00 H new ATOM 0 HB2 SER A 32 93.482 8.850 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 32 93.405 9.476 2.159 1.00 0.00 H new ATOM 0 HG SER A 32 95.595 8.920 3.351 1.00 0.00 H new ATOM 506 N GLU A 33 91.111 11.778 2.737 1.00 0.00 N ATOM 507 CA GLU A 33 89.629 11.804 2.584 1.00 0.00 C ATOM 508 C GLU A 33 89.222 11.446 1.156 1.00 0.00 C ATOM 509 O GLU A 33 89.627 12.094 0.212 1.00 0.00 O ATOM 510 CB GLU A 33 89.218 13.241 2.878 1.00 0.00 C ATOM 511 CG GLU A 33 87.702 13.349 2.735 1.00 0.00 C ATOM 512 CD GLU A 33 87.190 14.555 3.518 1.00 0.00 C ATOM 513 OE1 GLU A 33 87.787 15.611 3.402 1.00 0.00 O ATOM 514 OE2 GLU A 33 86.201 14.401 4.215 1.00 0.00 O ATOM 0 H GLU A 33 91.620 12.426 2.136 1.00 0.00 H new ATOM 0 HA GLU A 33 89.152 11.084 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 33 89.525 13.524 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 33 89.713 13.925 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 33 87.433 13.447 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 33 87.228 12.439 3.102 1.00 0.00 H new ATOM 521 N ILE A 34 88.405 10.442 0.980 1.00 0.00 N ATOM 522 CA ILE A 34 87.977 10.099 -0.405 1.00 0.00 C ATOM 523 C ILE A 34 86.448 10.072 -0.502 1.00 0.00 C ATOM 524 O ILE A 34 85.796 9.276 0.147 1.00 0.00 O ATOM 525 CB ILE A 34 88.519 8.695 -0.687 1.00 0.00 C ATOM 526 CG1 ILE A 34 90.025 8.648 -0.451 1.00 0.00 C ATOM 527 CG2 ILE A 34 88.246 8.354 -2.149 1.00 0.00 C ATOM 528 CD1 ILE A 34 90.719 9.638 -1.385 1.00 0.00 C ATOM 0 H ILE A 34 88.022 9.855 1.721 1.00 0.00 H new ATOM 0 HA ILE A 34 88.349 10.835 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 34 88.031 7.983 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 34 90.249 8.893 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 34 90.400 7.640 -0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 34 88.626 7.356 -2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 34 87.172 8.382 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 34 88.744 9.080 -2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 34 91.795 9.604 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 34 90.506 9.372 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 34 90.352 10.645 -1.186 1.00 0.00 H new ATOM 540 N HIS A 35 85.868 10.893 -1.335 1.00 0.00 N ATOM 541 CA HIS A 35 84.389 10.849 -1.488 1.00 0.00 C ATOM 542 C HIS A 35 84.057 10.538 -2.948 1.00 0.00 C ATOM 543 O HIS A 35 84.260 11.354 -3.825 1.00 0.00 O ATOM 544 CB HIS A 35 83.869 12.235 -1.101 1.00 0.00 C ATOM 545 CG HIS A 35 84.226 12.509 0.329 1.00 0.00 C ATOM 546 ND1 HIS A 35 83.502 11.976 1.386 1.00 0.00 N ATOM 547 CD2 HIS A 35 85.247 13.222 0.895 1.00 0.00 C ATOM 548 CE1 HIS A 35 84.102 12.363 2.526 1.00 0.00 C ATOM 549 NE2 HIS A 35 85.166 13.129 2.283 1.00 0.00 N ATOM 0 H HIS A 35 86.349 11.585 -1.910 1.00 0.00 H new ATOM 0 HA HIS A 35 83.932 10.083 -0.861 1.00 0.00 H new ATOM 0 HB2 HIS A 35 84.304 12.995 -1.750 1.00 0.00 H new ATOM 0 HB3 HIS A 35 82.788 12.282 -1.235 1.00 0.00 H new ATOM 0 HD1 HIS A 35 82.666 11.396 1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 35 86.000 13.772 0.350 1.00 0.00 H new ATOM 0 HE1 HIS A 35 83.764 12.088 3.514 1.00 0.00 H new ATOM 557 N PHE A 36 83.543 9.375 -3.221 1.00 0.00 N ATOM 558 CA PHE A 36 83.200 9.041 -4.632 1.00 0.00 C ATOM 559 C PHE A 36 82.187 7.887 -4.671 1.00 0.00 C ATOM 560 O PHE A 36 81.885 7.278 -3.663 1.00 0.00 O ATOM 561 CB PHE A 36 84.540 8.705 -5.326 1.00 0.00 C ATOM 562 CG PHE A 36 85.145 7.396 -4.846 1.00 0.00 C ATOM 563 CD1 PHE A 36 84.667 6.762 -3.699 1.00 0.00 C ATOM 564 CD2 PHE A 36 86.211 6.824 -5.562 1.00 0.00 C ATOM 565 CE1 PHE A 36 85.246 5.563 -3.265 1.00 0.00 C ATOM 566 CE2 PHE A 36 86.792 5.626 -5.124 1.00 0.00 C ATOM 567 CZ PHE A 36 86.309 4.997 -3.975 1.00 0.00 C ATOM 0 H PHE A 36 83.346 8.645 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 36 82.716 9.865 -5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 36 84.382 8.652 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 36 85.249 9.514 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 36 83.849 7.197 -3.144 1.00 0.00 H new ATOM 0 HD2 PHE A 36 86.583 7.309 -6.452 1.00 0.00 H new ATOM 0 HE1 PHE A 36 84.870 5.074 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 36 87.612 5.190 -5.675 1.00 0.00 H new ATOM 0 HZ PHE A 36 86.756 4.074 -3.635 1.00 0.00 H new ATOM 577 N LYS A 37 81.624 7.608 -5.814 1.00 0.00 N ATOM 578 CA LYS A 37 80.604 6.522 -5.887 1.00 0.00 C ATOM 579 C LYS A 37 81.147 5.333 -6.669 1.00 0.00 C ATOM 580 O LYS A 37 81.807 5.487 -7.676 1.00 0.00 O ATOM 581 CB LYS A 37 79.434 7.143 -6.640 1.00 0.00 C ATOM 582 CG LYS A 37 79.032 8.465 -5.982 1.00 0.00 C ATOM 583 CD LYS A 37 77.516 8.496 -5.794 1.00 0.00 C ATOM 584 CE LYS A 37 76.831 8.243 -7.145 1.00 0.00 C ATOM 585 NZ LYS A 37 77.176 9.420 -7.992 1.00 0.00 N ATOM 0 H LYS A 37 81.824 8.081 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 37 80.323 6.156 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 37 79.710 7.314 -7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 37 78.587 6.457 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 37 79.531 8.572 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.350 9.304 -6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 37 77.212 7.738 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 37 77.208 9.461 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 37 77.185 7.317 -7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 37 75.752 8.148 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 76.497 9.495 -8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 77.137 10.285 -7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 78.136 9.302 -8.375 1.00 0.00 H new ATOM 599 N VAL A 38 80.866 4.145 -6.221 1.00 0.00 N ATOM 600 CA VAL A 38 81.366 2.945 -6.949 1.00 0.00 C ATOM 601 C VAL A 38 80.250 1.901 -7.060 1.00 0.00 C ATOM 602 O VAL A 38 79.139 2.127 -6.623 1.00 0.00 O ATOM 603 CB VAL A 38 82.522 2.431 -6.098 1.00 0.00 C ATOM 604 CG1 VAL A 38 83.251 1.298 -6.826 1.00 0.00 C ATOM 605 CG2 VAL A 38 83.498 3.580 -5.832 1.00 0.00 C ATOM 0 H VAL A 38 80.314 3.951 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 38 81.685 3.168 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 38 82.132 2.049 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 38 84.074 0.939 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.556 0.480 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.643 1.667 -7.774 1.00 0.00 H new ATOM 0 HG21 VAL A 38 84.327 3.219 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.881 3.959 -6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.982 4.381 -5.303 1.00 0.00 H new ATOM 615 N LYS A 39 80.525 0.767 -7.655 1.00 0.00 N ATOM 616 CA LYS A 39 79.470 -0.278 -7.804 1.00 0.00 C ATOM 617 C LYS A 39 79.656 -1.427 -6.806 1.00 0.00 C ATOM 618 O LYS A 39 80.707 -2.033 -6.718 1.00 0.00 O ATOM 619 CB LYS A 39 79.642 -0.788 -9.233 1.00 0.00 C ATOM 620 CG LYS A 39 78.646 -1.919 -9.499 1.00 0.00 C ATOM 621 CD LYS A 39 78.752 -2.358 -10.962 1.00 0.00 C ATOM 622 CE LYS A 39 77.753 -3.487 -11.240 1.00 0.00 C ATOM 623 NZ LYS A 39 78.448 -4.741 -10.828 1.00 0.00 N ATOM 0 H LYS A 39 81.435 0.521 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 39 78.477 0.126 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 39 79.482 0.025 -9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 39 80.661 -1.145 -9.382 1.00 0.00 H new ATOM 0 HG2 LYS A 39 78.852 -2.762 -8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 39 77.632 -1.584 -9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 39 78.551 -1.513 -11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 39 79.766 -2.696 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 39 76.832 -3.345 -10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 39 77.479 -3.518 -12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 77.942 -5.562 -11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 79.423 -4.732 -11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 78.464 -4.804 -9.790 1.00 0.00 H new ATOM 637 N MET A 40 78.614 -1.747 -6.082 1.00 0.00 N ATOM 638 CA MET A 40 78.671 -2.876 -5.109 1.00 0.00 C ATOM 639 C MET A 40 77.520 -3.829 -5.400 1.00 0.00 C ATOM 640 O MET A 40 76.467 -3.752 -4.799 1.00 0.00 O ATOM 641 CB MET A 40 78.502 -2.261 -3.722 1.00 0.00 C ATOM 642 CG MET A 40 79.782 -1.520 -3.338 1.00 0.00 C ATOM 643 SD MET A 40 79.653 -0.971 -1.620 1.00 0.00 S ATOM 644 CE MET A 40 81.419 -0.711 -1.341 1.00 0.00 C ATOM 0 H MET A 40 77.715 -1.267 -6.125 1.00 0.00 H new ATOM 0 HA MET A 40 79.608 -3.429 -5.176 1.00 0.00 H new ATOM 0 HB2 MET A 40 77.655 -1.574 -3.717 1.00 0.00 H new ATOM 0 HB3 MET A 40 78.286 -3.040 -2.990 1.00 0.00 H new ATOM 0 HG2 MET A 40 80.646 -2.173 -3.460 1.00 0.00 H new ATOM 0 HG3 MET A 40 79.933 -0.664 -3.996 1.00 0.00 H new ATOM 0 HE1 MET A 40 81.622 -0.713 -0.270 1.00 0.00 H new ATOM 0 HE2 MET A 40 81.985 -1.511 -1.819 1.00 0.00 H new ATOM 0 HE3 MET A 40 81.717 0.248 -1.765 1.00 0.00 H new ATOM 654 N THR A 41 77.700 -4.712 -6.327 1.00 0.00 N ATOM 655 CA THR A 41 76.603 -5.646 -6.660 1.00 0.00 C ATOM 656 C THR A 41 76.859 -7.019 -6.037 1.00 0.00 C ATOM 657 O THR A 41 75.941 -7.775 -5.785 1.00 0.00 O ATOM 658 CB THR A 41 76.610 -5.712 -8.181 1.00 0.00 C ATOM 659 OG1 THR A 41 76.577 -4.390 -8.704 1.00 0.00 O ATOM 660 CG2 THR A 41 75.373 -6.469 -8.640 1.00 0.00 C ATOM 0 H THR A 41 78.556 -4.829 -6.869 1.00 0.00 H new ATOM 0 HA THR A 41 75.638 -5.319 -6.273 1.00 0.00 H new ATOM 0 HB THR A 41 77.508 -6.220 -8.533 1.00 0.00 H new ATOM 0 HG1 THR A 41 75.662 -4.169 -8.978 1.00 0.00 H new ATOM 0 HG21 THR A 41 75.364 -6.525 -9.729 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.388 -7.477 -8.225 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.479 -5.949 -8.296 1.00 0.00 H new ATOM 668 N THR A 42 78.089 -7.338 -5.758 1.00 0.00 N ATOM 669 CA THR A 42 78.379 -8.660 -5.117 1.00 0.00 C ATOM 670 C THR A 42 78.837 -8.426 -3.680 1.00 0.00 C ATOM 671 O THR A 42 78.164 -8.786 -2.739 1.00 0.00 O ATOM 672 CB THR A 42 79.486 -9.341 -5.940 1.00 0.00 C ATOM 673 OG1 THR A 42 80.392 -9.975 -5.054 1.00 0.00 O ATOM 674 CG2 THR A 42 80.249 -8.334 -6.810 1.00 0.00 C ATOM 0 H THR A 42 78.903 -6.751 -5.941 1.00 0.00 H new ATOM 0 HA THR A 42 77.494 -9.296 -5.094 1.00 0.00 H new ATOM 0 HB THR A 42 79.020 -10.070 -6.603 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.101 -10.413 -5.569 1.00 0.00 H new ATOM 0 HG21 THR A 42 81.022 -8.854 -7.376 1.00 0.00 H new ATOM 0 HG22 THR A 42 79.557 -7.852 -7.500 1.00 0.00 H new ATOM 0 HG23 THR A 42 80.711 -7.580 -6.173 1.00 0.00 H new ATOM 682 N HIS A 43 79.956 -7.784 -3.506 1.00 0.00 N ATOM 683 CA HIS A 43 80.433 -7.469 -2.135 1.00 0.00 C ATOM 684 C HIS A 43 81.177 -6.131 -2.208 1.00 0.00 C ATOM 685 O HIS A 43 81.470 -5.644 -3.282 1.00 0.00 O ATOM 686 CB HIS A 43 81.359 -8.617 -1.693 1.00 0.00 C ATOM 687 CG HIS A 43 80.775 -9.962 -2.062 1.00 0.00 C ATOM 688 ND1 HIS A 43 81.445 -10.855 -2.888 1.00 0.00 N ATOM 689 CD2 HIS A 43 79.620 -10.606 -1.680 1.00 0.00 C ATOM 690 CE1 HIS A 43 80.700 -11.973 -2.968 1.00 0.00 C ATOM 691 NE2 HIS A 43 79.578 -11.874 -2.252 1.00 0.00 N ATOM 0 H HIS A 43 80.564 -7.462 -4.260 1.00 0.00 H new ATOM 0 HA HIS A 43 79.623 -7.379 -1.412 1.00 0.00 H new ATOM 0 HB2 HIS A 43 82.336 -8.501 -2.162 1.00 0.00 H new ATOM 0 HB3 HIS A 43 81.515 -8.568 -0.615 1.00 0.00 H new ATOM 0 HD2 HIS A 43 78.861 -10.190 -1.034 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.977 -12.845 -3.542 1.00 0.00 H new ATOM 0 HE2 HIS A 43 78.847 -12.577 -2.147 1.00 0.00 H new ATOM 699 N LEU A 44 81.452 -5.510 -1.101 1.00 0.00 N ATOM 700 CA LEU A 44 82.136 -4.180 -1.159 1.00 0.00 C ATOM 701 C LEU A 44 83.600 -4.291 -1.603 1.00 0.00 C ATOM 702 O LEU A 44 84.299 -3.300 -1.680 1.00 0.00 O ATOM 703 CB LEU A 44 82.022 -3.584 0.250 1.00 0.00 C ATOM 704 CG LEU A 44 82.592 -4.547 1.294 1.00 0.00 C ATOM 705 CD1 LEU A 44 84.074 -4.253 1.519 1.00 0.00 C ATOM 706 CD2 LEU A 44 81.833 -4.367 2.612 1.00 0.00 C ATOM 0 H LEU A 44 81.239 -5.855 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 44 81.663 -3.541 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 44 82.557 -2.635 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 44 80.977 -3.371 0.477 1.00 0.00 H new ATOM 0 HG LEU A 44 82.481 -5.571 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 44 84.473 -4.942 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 44 84.616 -4.378 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 44 84.192 -3.229 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 44 82.235 -5.051 3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 44 81.947 -3.341 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 44 80.776 -4.581 2.455 1.00 0.00 H new ATOM 718 N LYS A 45 84.073 -5.467 -1.919 1.00 0.00 N ATOM 719 CA LYS A 45 85.490 -5.582 -2.372 1.00 0.00 C ATOM 720 C LYS A 45 85.709 -4.760 -3.650 1.00 0.00 C ATOM 721 O LYS A 45 86.761 -4.200 -3.864 1.00 0.00 O ATOM 722 CB LYS A 45 85.725 -7.071 -2.640 1.00 0.00 C ATOM 723 CG LYS A 45 84.829 -7.545 -3.780 1.00 0.00 C ATOM 724 CD LYS A 45 85.299 -8.916 -4.272 1.00 0.00 C ATOM 725 CE LYS A 45 86.705 -8.796 -4.863 1.00 0.00 C ATOM 726 NZ LYS A 45 86.780 -9.870 -5.886 1.00 0.00 N ATOM 0 H LYS A 45 83.549 -6.341 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 45 86.184 -5.199 -1.624 1.00 0.00 H new ATOM 0 HB2 LYS A 45 86.771 -7.242 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 45 85.517 -7.648 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 45 83.795 -7.605 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 45 84.855 -6.826 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 45 85.300 -9.629 -3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 45 84.609 -9.300 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 45 86.864 -7.814 -5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 45 87.469 -8.926 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 87.716 -9.854 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 86.631 -10.793 -5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 86.045 -9.716 -6.606 1.00 0.00 H new ATOM 740 N LYS A 46 84.720 -4.674 -4.500 1.00 0.00 N ATOM 741 CA LYS A 46 84.884 -3.877 -5.755 1.00 0.00 C ATOM 742 C LYS A 46 85.192 -2.419 -5.407 1.00 0.00 C ATOM 743 O LYS A 46 86.044 -1.789 -6.002 1.00 0.00 O ATOM 744 CB LYS A 46 83.528 -3.946 -6.456 1.00 0.00 C ATOM 745 CG LYS A 46 83.280 -5.356 -6.989 1.00 0.00 C ATOM 746 CD LYS A 46 83.318 -5.332 -8.517 1.00 0.00 C ATOM 747 CE LYS A 46 83.120 -6.750 -9.045 1.00 0.00 C ATOM 748 NZ LYS A 46 83.326 -6.645 -10.515 1.00 0.00 N ATOM 0 H LYS A 46 83.809 -5.118 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 46 85.695 -4.259 -6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 46 82.736 -3.668 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 46 83.498 -3.229 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.037 -6.040 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 46 82.314 -5.723 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 46 82.538 -4.675 -8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.271 -4.932 -8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 46 83.832 -7.442 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 46 82.123 -7.123 -8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 83.206 -7.582 -10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 82.630 -5.985 -10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 84.286 -6.295 -10.707 1.00 0.00 H new ATOM 762 N LEU A 47 84.489 -1.874 -4.453 1.00 0.00 N ATOM 763 CA LEU A 47 84.730 -0.457 -4.077 1.00 0.00 C ATOM 764 C LEU A 47 86.164 -0.280 -3.568 1.00 0.00 C ATOM 765 O LEU A 47 86.927 0.539 -4.059 1.00 0.00 O ATOM 766 CB LEU A 47 83.716 -0.189 -2.949 1.00 0.00 C ATOM 767 CG LEU A 47 83.843 1.245 -2.406 1.00 0.00 C ATOM 768 CD1 LEU A 47 84.829 1.266 -1.244 1.00 0.00 C ATOM 769 CD2 LEU A 47 84.333 2.200 -3.489 1.00 0.00 C ATOM 0 H LEU A 47 83.760 -2.349 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 47 84.611 0.229 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 47 82.704 -0.350 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 47 83.874 -0.901 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 47 82.858 1.570 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 47 84.918 2.282 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 47 84.471 0.609 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.804 0.922 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 47 84.414 3.206 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.310 1.875 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 47 83.626 2.203 -4.319 1.00 0.00 H new ATOM 781 N LYS A 48 86.538 -1.059 -2.594 1.00 0.00 N ATOM 782 CA LYS A 48 87.913 -0.955 -2.039 1.00 0.00 C ATOM 783 C LYS A 48 88.942 -1.532 -3.017 1.00 0.00 C ATOM 784 O LYS A 48 90.069 -1.105 -3.046 1.00 0.00 O ATOM 785 CB LYS A 48 87.881 -1.759 -0.737 1.00 0.00 C ATOM 786 CG LYS A 48 87.565 -3.222 -1.039 1.00 0.00 C ATOM 787 CD LYS A 48 88.859 -4.042 -0.974 1.00 0.00 C ATOM 788 CE LYS A 48 88.610 -5.456 -1.509 1.00 0.00 C ATOM 789 NZ LYS A 48 89.921 -6.152 -1.390 1.00 0.00 N ATOM 0 H LYS A 48 85.947 -1.766 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 48 88.206 0.081 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 48 88.842 -1.683 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 48 87.130 -1.347 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 86.841 -3.606 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 48 87.113 -3.312 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 48 89.638 -3.554 -1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 48 89.217 -4.091 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 48 87.839 -5.966 -0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 48 88.269 -5.432 -2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 89.829 -7.128 -1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 90.634 -5.649 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 90.217 -6.166 -0.393 1.00 0.00 H new ATOM 803 N GLU A 49 88.574 -2.497 -3.818 1.00 0.00 N ATOM 804 CA GLU A 49 89.574 -3.074 -4.769 1.00 0.00 C ATOM 805 C GLU A 49 90.175 -1.967 -5.629 1.00 0.00 C ATOM 806 O GLU A 49 91.376 -1.867 -5.782 1.00 0.00 O ATOM 807 CB GLU A 49 88.799 -4.049 -5.650 1.00 0.00 C ATOM 808 CG GLU A 49 89.762 -4.688 -6.654 1.00 0.00 C ATOM 809 CD GLU A 49 89.029 -5.754 -7.469 1.00 0.00 C ATOM 810 OE1 GLU A 49 88.020 -6.248 -6.994 1.00 0.00 O ATOM 811 OE2 GLU A 49 89.493 -6.059 -8.556 1.00 0.00 O ATOM 0 H GLU A 49 87.641 -2.906 -3.857 1.00 0.00 H new ATOM 0 HA GLU A 49 90.391 -3.567 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 49 88.329 -4.818 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 49 87.999 -3.527 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 49 90.168 -3.925 -7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 49 90.606 -5.135 -6.128 1.00 0.00 H new ATOM 818 N SER A 50 89.352 -1.119 -6.173 1.00 0.00 N ATOM 819 CA SER A 50 89.888 -0.004 -6.996 1.00 0.00 C ATOM 820 C SER A 50 90.633 0.965 -6.086 1.00 0.00 C ATOM 821 O SER A 50 91.660 1.513 -6.434 1.00 0.00 O ATOM 822 CB SER A 50 88.662 0.667 -7.600 1.00 0.00 C ATOM 823 OG SER A 50 88.029 -0.232 -8.496 1.00 0.00 O ATOM 0 H SER A 50 88.336 -1.149 -6.084 1.00 0.00 H new ATOM 0 HA SER A 50 90.581 -0.338 -7.768 1.00 0.00 H new ATOM 0 HB2 SER A 50 87.969 0.961 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 50 88.953 1.577 -8.125 1.00 0.00 H new ATOM 0 HG SER A 50 87.238 0.197 -8.885 1.00 0.00 H new ATOM 829 N TYR A 51 90.102 1.167 -4.917 1.00 0.00 N ATOM 830 CA TYR A 51 90.733 2.091 -3.941 1.00 0.00 C ATOM 831 C TYR A 51 92.064 1.504 -3.458 1.00 0.00 C ATOM 832 O TYR A 51 93.011 2.212 -3.176 1.00 0.00 O ATOM 833 CB TYR A 51 89.719 2.116 -2.803 1.00 0.00 C ATOM 834 CG TYR A 51 90.034 3.219 -1.837 1.00 0.00 C ATOM 835 CD1 TYR A 51 89.472 4.477 -2.043 1.00 0.00 C ATOM 836 CD2 TYR A 51 90.855 2.985 -0.729 1.00 0.00 C ATOM 837 CE1 TYR A 51 89.729 5.507 -1.145 1.00 0.00 C ATOM 838 CE2 TYR A 51 91.117 4.019 0.172 1.00 0.00 C ATOM 839 CZ TYR A 51 90.552 5.283 -0.032 1.00 0.00 C ATOM 840 OH TYR A 51 90.805 6.301 0.866 1.00 0.00 O ATOM 0 H TYR A 51 89.243 0.723 -4.591 1.00 0.00 H new ATOM 0 HA TYR A 51 90.955 3.079 -4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 51 88.716 2.254 -3.206 1.00 0.00 H new ATOM 0 HB3 TYR A 51 89.724 1.158 -2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 51 88.837 4.652 -2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 51 91.285 2.007 -0.571 1.00 0.00 H new ATOM 0 HE1 TYR A 51 89.294 6.482 -1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 51 91.755 3.844 1.026 1.00 0.00 H new ATOM 0 HH TYR A 51 91.393 5.971 1.577 1.00 0.00 H new ATOM 850 N CYS A 52 92.119 0.206 -3.339 1.00 0.00 N ATOM 851 CA CYS A 52 93.351 -0.476 -2.849 1.00 0.00 C ATOM 852 C CYS A 52 94.484 -0.465 -3.883 1.00 0.00 C ATOM 853 O CYS A 52 95.571 -0.003 -3.615 1.00 0.00 O ATOM 854 CB CYS A 52 92.890 -1.912 -2.598 1.00 0.00 C ATOM 855 SG CYS A 52 91.787 -1.957 -1.164 1.00 0.00 S ATOM 0 H CYS A 52 91.348 -0.422 -3.565 1.00 0.00 H new ATOM 0 HA CYS A 52 93.759 0.022 -1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 52 92.375 -2.298 -3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 52 93.752 -2.556 -2.426 1.00 0.00 H new ATOM 0 HG CYS A 52 90.752 -1.204 -1.389 1.00 0.00 H new ATOM 861 N GLN A 53 94.246 -0.989 -5.051 1.00 0.00 N ATOM 862 CA GLN A 53 95.321 -1.037 -6.088 1.00 0.00 C ATOM 863 C GLN A 53 95.827 0.370 -6.457 1.00 0.00 C ATOM 864 O GLN A 53 97.005 0.572 -6.672 1.00 0.00 O ATOM 865 CB GLN A 53 94.662 -1.704 -7.299 1.00 0.00 C ATOM 866 CG GLN A 53 94.407 -3.193 -7.017 1.00 0.00 C ATOM 867 CD GLN A 53 93.596 -3.779 -8.179 1.00 0.00 C ATOM 868 OE1 GLN A 53 92.811 -3.086 -8.793 1.00 0.00 O ATOM 869 NE2 GLN A 53 93.757 -5.028 -8.518 1.00 0.00 N ATOM 0 H GLN A 53 93.352 -1.388 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 53 96.195 -1.580 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 53 93.721 -1.205 -7.530 1.00 0.00 H new ATOM 0 HB3 GLN A 53 95.303 -1.598 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 53 95.352 -3.725 -6.909 1.00 0.00 H new ATOM 0 HG3 GLN A 53 93.865 -3.313 -6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 53 94.415 -5.615 -8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 53 93.225 -5.418 -9.296 1.00 0.00 H new ATOM 878 N ARG A 54 94.953 1.335 -6.560 1.00 0.00 N ATOM 879 CA ARG A 54 95.399 2.718 -6.942 1.00 0.00 C ATOM 880 C ARG A 54 96.202 3.406 -5.823 1.00 0.00 C ATOM 881 O ARG A 54 97.052 4.232 -6.089 1.00 0.00 O ATOM 882 CB ARG A 54 94.112 3.495 -7.236 1.00 0.00 C ATOM 883 CG ARG A 54 94.456 4.908 -7.716 1.00 0.00 C ATOM 884 CD ARG A 54 93.168 5.672 -8.039 1.00 0.00 C ATOM 885 NE ARG A 54 93.606 7.074 -8.298 1.00 0.00 N ATOM 886 CZ ARG A 54 93.942 7.849 -7.300 1.00 0.00 C ATOM 887 NH1 ARG A 54 93.968 7.375 -6.083 1.00 0.00 N ATOM 888 NH2 ARG A 54 94.239 9.102 -7.519 1.00 0.00 N ATOM 0 H ARG A 54 93.951 1.232 -6.398 1.00 0.00 H new ATOM 0 HA ARG A 54 96.069 2.681 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 54 93.528 2.975 -7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 54 93.495 3.546 -6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 54 95.020 5.436 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 54 95.092 4.857 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 54 92.665 5.248 -8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 54 92.463 5.626 -7.209 1.00 0.00 H new ATOM 0 HE ARG A 54 93.643 7.428 -9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 54 93.726 6.399 -5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 54 94.230 7.981 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 54 94.209 9.475 -8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 54 94.501 9.707 -6.741 1.00 0.00 H new ATOM 902 N GLN A 55 95.927 3.109 -4.577 1.00 0.00 N ATOM 903 CA GLN A 55 96.672 3.792 -3.473 1.00 0.00 C ATOM 904 C GLN A 55 97.490 2.793 -2.642 1.00 0.00 C ATOM 905 O GLN A 55 98.321 3.176 -1.844 1.00 0.00 O ATOM 906 CB GLN A 55 95.583 4.456 -2.623 1.00 0.00 C ATOM 907 CG GLN A 55 94.912 5.571 -3.430 1.00 0.00 C ATOM 908 CD GLN A 55 93.769 6.192 -2.618 1.00 0.00 C ATOM 909 OE1 GLN A 55 93.856 7.330 -2.199 1.00 0.00 O ATOM 910 NE2 GLN A 55 92.693 5.494 -2.384 1.00 0.00 N ATOM 0 H GLN A 55 95.227 2.431 -4.278 1.00 0.00 H new ATOM 0 HA GLN A 55 97.395 4.513 -3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 55 94.842 3.716 -2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 55 96.018 4.864 -1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 55 95.644 6.336 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.527 5.171 -4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 55 92.618 4.539 -2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 55 91.926 5.903 -1.850 1.00 0.00 H new ATOM 919 N GLY A 56 97.263 1.520 -2.822 1.00 0.00 N ATOM 920 CA GLY A 56 98.028 0.500 -2.039 1.00 0.00 C ATOM 921 C GLY A 56 97.070 -0.607 -1.591 1.00 0.00 C ATOM 922 O GLY A 56 96.102 -0.360 -0.903 1.00 0.00 O ATOM 0 H GLY A 56 96.581 1.139 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 56 98.829 0.081 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 56 98.497 0.965 -1.172 1.00 0.00 H new ATOM 926 N VAL A 57 97.320 -1.822 -1.997 1.00 0.00 N ATOM 927 CA VAL A 57 96.403 -2.943 -1.621 1.00 0.00 C ATOM 928 C VAL A 57 96.589 -3.396 -0.153 1.00 0.00 C ATOM 929 O VAL A 57 97.655 -3.250 0.414 1.00 0.00 O ATOM 930 CB VAL A 57 96.723 -4.054 -2.616 1.00 0.00 C ATOM 931 CG1 VAL A 57 96.341 -3.573 -4.013 1.00 0.00 C ATOM 932 CG2 VAL A 57 98.216 -4.363 -2.592 1.00 0.00 C ATOM 0 H VAL A 57 98.118 -2.090 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 57 95.357 -2.641 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 57 96.168 -4.954 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 57 96.562 -4.354 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 57 95.276 -3.343 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 57 96.912 -2.677 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 57 98.435 -5.157 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 57 98.777 -3.468 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 57 98.505 -4.685 -1.591 1.00 0.00 H new ATOM 942 N PRO A 58 95.505 -3.897 0.414 1.00 0.00 N ATOM 943 CA PRO A 58 95.478 -4.346 1.832 1.00 0.00 C ATOM 944 C PRO A 58 96.426 -5.514 2.091 1.00 0.00 C ATOM 945 O PRO A 58 96.722 -5.832 3.226 1.00 0.00 O ATOM 946 CB PRO A 58 94.022 -4.794 2.017 1.00 0.00 C ATOM 947 CG PRO A 58 93.268 -4.585 0.698 1.00 0.00 C ATOM 948 CD PRO A 58 94.246 -4.055 -0.351 1.00 0.00 C ATOM 0 HA PRO A 58 95.799 -3.563 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 58 93.985 -5.843 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 58 93.550 -4.222 2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 58 92.827 -5.524 0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 58 92.448 -3.881 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 58 94.363 -4.751 -1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 58 93.910 -3.108 -0.774 1.00 0.00 H new ATOM 956 N MET A 59 96.892 -6.176 1.071 1.00 0.00 N ATOM 957 CA MET A 59 97.790 -7.334 1.319 1.00 0.00 C ATOM 958 C MET A 59 99.039 -6.878 2.071 1.00 0.00 C ATOM 959 O MET A 59 99.600 -7.622 2.851 1.00 0.00 O ATOM 960 CB MET A 59 98.181 -7.873 -0.061 1.00 0.00 C ATOM 961 CG MET A 59 99.178 -6.922 -0.720 1.00 0.00 C ATOM 962 SD MET A 59 99.604 -7.532 -2.368 1.00 0.00 S ATOM 963 CE MET A 59 100.987 -6.402 -2.644 1.00 0.00 C ATOM 0 H MET A 59 96.694 -5.970 0.092 1.00 0.00 H new ATOM 0 HA MET A 59 97.298 -8.096 1.923 1.00 0.00 H new ATOM 0 HB2 MET A 59 98.620 -8.866 0.037 1.00 0.00 H new ATOM 0 HB3 MET A 59 97.294 -7.977 -0.686 1.00 0.00 H new ATOM 0 HG2 MET A 59 98.749 -5.922 -0.791 1.00 0.00 H new ATOM 0 HG3 MET A 59 100.076 -6.841 -0.108 1.00 0.00 H new ATOM 0 HE1 MET A 59 100.943 -6.014 -3.662 1.00 0.00 H new ATOM 0 HE2 MET A 59 100.927 -5.574 -1.938 1.00 0.00 H new ATOM 0 HE3 MET A 59 101.927 -6.935 -2.499 1.00 0.00 H new ATOM 973 N ASN A 60 99.496 -5.674 1.833 1.00 0.00 N ATOM 974 CA ASN A 60 100.728 -5.220 2.535 1.00 0.00 C ATOM 975 C ASN A 60 100.431 -4.227 3.674 1.00 0.00 C ATOM 976 O ASN A 60 100.959 -4.372 4.760 1.00 0.00 O ATOM 977 CB ASN A 60 101.608 -4.575 1.451 1.00 0.00 C ATOM 978 CG ASN A 60 101.064 -3.198 1.047 1.00 0.00 C ATOM 979 OD1 ASN A 60 101.165 -2.251 1.803 1.00 0.00 O ATOM 980 ND2 ASN A 60 100.500 -3.039 -0.127 1.00 0.00 N ATOM 0 H ASN A 60 99.076 -4.999 1.194 1.00 0.00 H new ATOM 0 HA ASN A 60 101.225 -6.061 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 60 102.629 -4.473 1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 60 101.649 -5.225 0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 60 100.148 -2.123 -0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 60 100.414 -3.832 -0.763 1.00 0.00 H new ATOM 987 N SER A 61 99.651 -3.191 3.456 1.00 0.00 N ATOM 988 CA SER A 61 99.452 -2.221 4.585 1.00 0.00 C ATOM 989 C SER A 61 98.090 -1.520 4.589 1.00 0.00 C ATOM 990 O SER A 61 97.917 -0.548 5.288 1.00 0.00 O ATOM 991 CB SER A 61 100.535 -1.178 4.365 1.00 0.00 C ATOM 992 OG SER A 61 101.793 -1.825 4.320 1.00 0.00 O ATOM 0 H SER A 61 99.163 -2.980 2.586 1.00 0.00 H new ATOM 0 HA SER A 61 99.499 -2.751 5.536 1.00 0.00 H new ATOM 0 HB2 SER A 61 100.355 -0.638 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 61 100.518 -0.442 5.169 1.00 0.00 H new ATOM 0 HG SER A 61 101.979 -2.116 3.403 1.00 0.00 H new ATOM 998 N LEU A 62 97.133 -1.943 3.829 1.00 0.00 N ATOM 999 CA LEU A 62 95.840 -1.199 3.852 1.00 0.00 C ATOM 1000 C LEU A 62 94.753 -2.050 4.515 1.00 0.00 C ATOM 1001 O LEU A 62 94.582 -3.207 4.203 1.00 0.00 O ATOM 1002 CB LEU A 62 95.526 -0.928 2.376 1.00 0.00 C ATOM 1003 CG LEU A 62 94.390 0.085 2.263 1.00 0.00 C ATOM 1004 CD1 LEU A 62 94.959 1.487 2.400 1.00 0.00 C ATOM 1005 CD2 LEU A 62 93.711 -0.053 0.899 1.00 0.00 C ATOM 0 H LEU A 62 97.177 -2.749 3.205 1.00 0.00 H new ATOM 0 HA LEU A 62 95.891 -0.274 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 62 96.414 -0.549 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 62 95.247 -1.857 1.878 1.00 0.00 H new ATOM 0 HG LEU A 62 93.659 -0.098 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 62 94.153 2.216 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 62 95.446 1.589 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 62 95.687 1.663 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 62 92.900 0.671 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 62 94.440 0.131 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 62 93.309 -1.060 0.793 1.00 0.00 H new ATOM 1017 N ARG A 63 94.020 -1.492 5.441 1.00 0.00 N ATOM 1018 CA ARG A 63 92.956 -2.285 6.116 1.00 0.00 C ATOM 1019 C ARG A 63 91.624 -1.548 6.036 1.00 0.00 C ATOM 1020 O ARG A 63 91.581 -0.340 6.081 1.00 0.00 O ATOM 1021 CB ARG A 63 93.431 -2.445 7.558 1.00 0.00 C ATOM 1022 CG ARG A 63 92.467 -3.353 8.316 1.00 0.00 C ATOM 1023 CD ARG A 63 92.956 -3.518 9.753 1.00 0.00 C ATOM 1024 NE ARG A 63 92.442 -2.318 10.475 1.00 0.00 N ATOM 1025 CZ ARG A 63 91.659 -2.474 11.504 1.00 0.00 C ATOM 1026 NH1 ARG A 63 92.135 -2.970 12.611 1.00 0.00 N ATOM 1027 NH2 ARG A 63 90.402 -2.141 11.427 1.00 0.00 N ATOM 0 H ARG A 63 94.112 -0.527 5.757 1.00 0.00 H new ATOM 0 HA ARG A 63 92.794 -3.256 5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 63 94.435 -2.868 7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 63 93.487 -1.471 8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 63 91.464 -2.926 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 63 92.404 -4.325 7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 63 92.576 -4.438 10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 63 94.044 -3.569 9.796 1.00 0.00 H new ATOM 0 HE ARG A 63 92.702 -1.382 10.165 1.00 0.00 H new ATOM 0 HH11 ARG A 63 93.118 -3.235 12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 63 91.524 -3.093 13.419 1.00 0.00 H new ATOM 0 HH21 ARG A 63 90.028 -1.757 10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 63 89.791 -2.264 12.235 1.00 0.00 H new ATOM 1041 N PHE A 64 90.540 -2.269 5.877 1.00 0.00 N ATOM 1042 CA PHE A 64 89.214 -1.595 5.746 1.00 0.00 C ATOM 1043 C PHE A 64 88.303 -1.757 6.963 1.00 0.00 C ATOM 1044 O PHE A 64 87.864 -2.838 7.321 1.00 0.00 O ATOM 1045 CB PHE A 64 88.575 -2.220 4.507 1.00 0.00 C ATOM 1046 CG PHE A 64 89.222 -1.636 3.285 1.00 0.00 C ATOM 1047 CD1 PHE A 64 90.475 -2.089 2.865 1.00 0.00 C ATOM 1048 CD2 PHE A 64 88.568 -0.617 2.582 1.00 0.00 C ATOM 1049 CE1 PHE A 64 91.072 -1.524 1.735 1.00 0.00 C ATOM 1050 CE2 PHE A 64 89.166 -0.050 1.459 1.00 0.00 C ATOM 1051 CZ PHE A 64 90.418 -0.502 1.033 1.00 0.00 C ATOM 0 H PHE A 64 90.518 -3.288 5.833 1.00 0.00 H new ATOM 0 HA PHE A 64 89.355 -0.517 5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 64 88.703 -3.302 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 64 87.503 -2.026 4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 64 90.980 -2.872 3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 64 87.599 -0.270 2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 64 92.038 -1.875 1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 64 88.663 0.738 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 64 90.882 -0.063 0.162 1.00 0.00 H new ATOM 1061 N LEU A 65 87.960 -0.639 7.538 1.00 0.00 N ATOM 1062 CA LEU A 65 87.012 -0.602 8.677 1.00 0.00 C ATOM 1063 C LEU A 65 85.693 -0.154 8.066 1.00 0.00 C ATOM 1064 O LEU A 65 85.655 0.825 7.348 1.00 0.00 O ATOM 1065 CB LEU A 65 87.587 0.461 9.617 1.00 0.00 C ATOM 1066 CG LEU A 65 86.815 0.496 10.935 1.00 0.00 C ATOM 1067 CD1 LEU A 65 85.390 0.994 10.695 1.00 0.00 C ATOM 1068 CD2 LEU A 65 86.764 -0.904 11.531 1.00 0.00 C ATOM 0 H LEU A 65 88.310 0.276 7.254 1.00 0.00 H new ATOM 0 HA LEU A 65 86.868 -1.538 9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 65 88.638 0.250 9.812 1.00 0.00 H new ATOM 0 HB3 LEU A 65 87.542 1.439 9.138 1.00 0.00 H new ATOM 0 HG LEU A 65 87.320 1.173 11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 65 84.848 1.015 11.640 1.00 0.00 H new ATOM 0 HD12 LEU A 65 85.422 1.998 10.272 1.00 0.00 H new ATOM 0 HD13 LEU A 65 84.883 0.324 10.001 1.00 0.00 H new ATOM 0 HD21 LEU A 65 86.213 -0.879 12.471 1.00 0.00 H new ATOM 0 HD22 LEU A 65 86.264 -1.578 10.835 1.00 0.00 H new ATOM 0 HD23 LEU A 65 87.778 -1.259 11.714 1.00 0.00 H new ATOM 1080 N PHE A 66 84.627 -0.855 8.266 1.00 0.00 N ATOM 1081 CA PHE A 66 83.379 -0.408 7.578 1.00 0.00 C ATOM 1082 C PHE A 66 82.348 0.097 8.597 1.00 0.00 C ATOM 1083 O PHE A 66 82.314 1.272 8.901 1.00 0.00 O ATOM 1084 CB PHE A 66 82.929 -1.654 6.803 1.00 0.00 C ATOM 1085 CG PHE A 66 82.340 -1.281 5.462 1.00 0.00 C ATOM 1086 CD1 PHE A 66 80.977 -0.998 5.330 1.00 0.00 C ATOM 1087 CD2 PHE A 66 83.171 -1.262 4.335 1.00 0.00 C ATOM 1088 CE1 PHE A 66 80.448 -0.695 4.068 1.00 0.00 C ATOM 1089 CE2 PHE A 66 82.642 -0.953 3.078 1.00 0.00 C ATOM 1090 CZ PHE A 66 81.282 -0.674 2.945 1.00 0.00 C ATOM 0 H PHE A 66 84.553 -1.688 8.850 1.00 0.00 H new ATOM 0 HA PHE A 66 83.519 0.439 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.779 -2.321 6.657 1.00 0.00 H new ATOM 0 HB3 PHE A 66 82.190 -2.202 7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 66 80.334 -1.013 6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 66 84.222 -1.486 4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 66 79.395 -0.477 3.962 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.286 -0.930 2.211 1.00 0.00 H new ATOM 0 HZ PHE A 66 80.872 -0.441 1.973 1.00 0.00 H new ATOM 1100 N GLU A 67 81.514 -0.737 9.136 1.00 0.00 N ATOM 1101 CA GLU A 67 80.537 -0.217 10.123 1.00 0.00 C ATOM 1102 C GLU A 67 81.289 0.256 11.371 1.00 0.00 C ATOM 1103 O GLU A 67 80.863 1.164 12.056 1.00 0.00 O ATOM 1104 CB GLU A 67 79.591 -1.384 10.446 1.00 0.00 C ATOM 1105 CG GLU A 67 80.254 -2.350 11.436 1.00 0.00 C ATOM 1106 CD GLU A 67 81.343 -3.142 10.723 1.00 0.00 C ATOM 1107 OE1 GLU A 67 82.459 -2.657 10.655 1.00 0.00 O ATOM 1108 OE2 GLU A 67 81.036 -4.224 10.254 1.00 0.00 O ATOM 0 H GLU A 67 81.464 -1.737 8.942 1.00 0.00 H new ATOM 0 HA GLU A 67 79.971 0.633 9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 67 78.662 -1.001 10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 67 79.331 -1.914 9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 67 80.681 -1.795 12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 67 79.509 -3.029 11.852 1.00 0.00 H new ATOM 1115 N GLY A 68 82.413 -0.352 11.664 1.00 0.00 N ATOM 1116 CA GLY A 68 83.193 0.071 12.860 1.00 0.00 C ATOM 1117 C GLY A 68 84.340 -0.908 13.135 1.00 0.00 C ATOM 1118 O GLY A 68 85.310 -0.564 13.778 1.00 0.00 O ATOM 0 H GLY A 68 82.819 -1.119 11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 68 83.593 1.073 12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 68 82.536 0.122 13.729 1.00 0.00 H new ATOM 1122 N GLN A 69 84.234 -2.123 12.670 1.00 0.00 N ATOM 1123 CA GLN A 69 85.315 -3.116 12.934 1.00 0.00 C ATOM 1124 C GLN A 69 85.924 -3.582 11.614 1.00 0.00 C ATOM 1125 O GLN A 69 85.410 -3.278 10.542 1.00 0.00 O ATOM 1126 CB GLN A 69 84.613 -4.282 13.645 1.00 0.00 C ATOM 1127 CG GLN A 69 83.786 -5.089 12.644 1.00 0.00 C ATOM 1128 CD GLN A 69 83.001 -6.167 13.403 1.00 0.00 C ATOM 1129 OE1 GLN A 69 82.295 -5.869 14.346 1.00 0.00 O ATOM 1130 NE2 GLN A 69 83.102 -7.416 13.037 1.00 0.00 N ATOM 0 H GLN A 69 83.448 -2.471 12.120 1.00 0.00 H new ATOM 0 HA GLN A 69 86.126 -2.703 13.533 1.00 0.00 H new ATOM 0 HB2 GLN A 69 85.353 -4.926 14.120 1.00 0.00 H new ATOM 0 HB3 GLN A 69 83.968 -3.900 14.436 1.00 0.00 H new ATOM 0 HG2 GLN A 69 83.102 -4.434 12.105 1.00 0.00 H new ATOM 0 HG3 GLN A 69 84.437 -5.550 11.901 1.00 0.00 H new ATOM 0 HE21 GLN A 69 83.694 -7.669 12.246 1.00 0.00 H new ATOM 0 HE22 GLN A 69 82.589 -8.139 13.542 1.00 0.00 H new ATOM 1139 N ARG A 70 87.013 -4.308 11.658 1.00 0.00 N ATOM 1140 CA ARG A 70 87.611 -4.778 10.382 1.00 0.00 C ATOM 1141 C ARG A 70 86.581 -5.707 9.741 1.00 0.00 C ATOM 1142 O ARG A 70 86.172 -6.684 10.333 1.00 0.00 O ATOM 1143 CB ARG A 70 88.892 -5.522 10.789 1.00 0.00 C ATOM 1144 CG ARG A 70 89.732 -5.816 9.548 1.00 0.00 C ATOM 1145 CD ARG A 70 91.125 -6.281 9.970 1.00 0.00 C ATOM 1146 NE ARG A 70 91.003 -7.754 10.117 1.00 0.00 N ATOM 1147 CZ ARG A 70 91.229 -8.527 9.095 1.00 0.00 C ATOM 1148 NH1 ARG A 70 92.456 -8.801 8.743 1.00 0.00 N ATOM 1149 NH2 ARG A 70 90.228 -9.007 8.410 1.00 0.00 N ATOM 0 H ARG A 70 87.503 -4.589 12.508 1.00 0.00 H new ATOM 0 HA ARG A 70 87.857 -3.992 9.668 1.00 0.00 H new ATOM 0 HB2 ARG A 70 89.465 -4.920 11.494 1.00 0.00 H new ATOM 0 HB3 ARG A 70 88.638 -6.452 11.297 1.00 0.00 H new ATOM 0 HG2 ARG A 70 89.249 -6.584 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 70 89.808 -4.923 8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 70 91.873 -6.018 9.222 1.00 0.00 H new ATOM 0 HD3 ARG A 70 91.432 -5.814 10.906 1.00 0.00 H new ATOM 0 HE ARG A 70 90.743 -8.158 11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 70 93.237 -8.409 9.269 1.00 0.00 H new ATOM 0 HH12 ARG A 70 92.634 -9.407 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 70 89.271 -8.776 8.676 1.00 0.00 H new ATOM 0 HH22 ARG A 70 90.403 -9.613 7.608 1.00 0.00 H new ATOM 1163 N ILE A 71 86.114 -5.395 8.562 1.00 0.00 N ATOM 1164 CA ILE A 71 85.041 -6.251 7.956 1.00 0.00 C ATOM 1165 C ILE A 71 85.549 -7.102 6.799 1.00 0.00 C ATOM 1166 O ILE A 71 86.689 -7.024 6.392 1.00 0.00 O ATOM 1167 CB ILE A 71 83.997 -5.268 7.415 1.00 0.00 C ATOM 1168 CG1 ILE A 71 84.586 -4.517 6.216 1.00 0.00 C ATOM 1169 CG2 ILE A 71 83.607 -4.266 8.504 1.00 0.00 C ATOM 1170 CD1 ILE A 71 83.521 -4.394 5.123 1.00 0.00 C ATOM 0 H ILE A 71 86.418 -4.602 7.998 1.00 0.00 H new ATOM 0 HA ILE A 71 84.653 -6.941 8.705 1.00 0.00 H new ATOM 0 HB ILE A 71 83.109 -5.819 7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 71 84.925 -3.527 6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 71 85.458 -5.047 5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 71 82.865 -3.571 8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 71 83.188 -4.800 9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 71 84.490 -3.712 8.822 1.00 0.00 H new ATOM 0 HD11 ILE A 71 83.937 -3.860 4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 71 83.204 -5.389 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 71 82.663 -3.845 5.511 1.00 0.00 H new ATOM 1182 N ALA A 72 84.663 -7.892 6.256 1.00 0.00 N ATOM 1183 CA ALA A 72 85.005 -8.753 5.090 1.00 0.00 C ATOM 1184 C ALA A 72 84.212 -8.264 3.874 1.00 0.00 C ATOM 1185 O ALA A 72 83.224 -7.574 4.009 1.00 0.00 O ATOM 1186 CB ALA A 72 84.589 -10.167 5.502 1.00 0.00 C ATOM 0 H ALA A 72 83.699 -7.978 6.578 1.00 0.00 H new ATOM 0 HA ALA A 72 86.061 -8.725 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 72 84.810 -10.862 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 72 85.140 -10.463 6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 72 83.520 -10.185 5.714 1.00 0.00 H new ATOM 1192 N ASP A 73 84.639 -8.589 2.690 1.00 0.00 N ATOM 1193 CA ASP A 73 83.913 -8.114 1.480 1.00 0.00 C ATOM 1194 C ASP A 73 83.091 -9.237 0.852 1.00 0.00 C ATOM 1195 O ASP A 73 83.259 -9.557 -0.306 1.00 0.00 O ATOM 1196 CB ASP A 73 85.019 -7.702 0.529 1.00 0.00 C ATOM 1197 CG ASP A 73 85.848 -8.950 0.195 1.00 0.00 C ATOM 1198 OD1 ASP A 73 86.584 -9.395 1.060 1.00 0.00 O ATOM 1199 OD2 ASP A 73 85.724 -9.449 -0.911 1.00 0.00 O ATOM 0 H ASP A 73 85.461 -9.164 2.505 1.00 0.00 H new ATOM 0 HA ASP A 73 83.215 -7.310 1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.599 -7.269 -0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 73 85.648 -6.938 0.985 1.00 0.00 H new ATOM 1204 N ASN A 74 82.212 -9.842 1.594 1.00 0.00 N ATOM 1205 CA ASN A 74 81.389 -10.941 1.016 1.00 0.00 C ATOM 1206 C ASN A 74 79.930 -10.841 1.489 1.00 0.00 C ATOM 1207 O ASN A 74 79.256 -11.842 1.621 1.00 0.00 O ATOM 1208 CB ASN A 74 82.029 -12.221 1.546 1.00 0.00 C ATOM 1209 CG ASN A 74 81.787 -12.313 3.055 1.00 0.00 C ATOM 1210 OD1 ASN A 74 81.199 -11.426 3.643 1.00 0.00 O ATOM 1211 ND2 ASN A 74 82.215 -13.351 3.714 1.00 0.00 N ATOM 0 H ASN A 74 82.026 -9.626 2.573 1.00 0.00 H new ATOM 0 HA ASN A 74 81.365 -10.903 -0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 74 81.605 -13.090 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 74 83.099 -12.222 1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 74 82.057 -13.418 4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 74 82.709 -14.098 3.225 1.00 0.00 H new ATOM 1218 N HIS A 75 79.429 -9.656 1.761 1.00 0.00 N ATOM 1219 CA HIS A 75 78.011 -9.557 2.241 1.00 0.00 C ATOM 1220 C HIS A 75 77.284 -8.325 1.675 1.00 0.00 C ATOM 1221 O HIS A 75 77.556 -7.204 2.056 1.00 0.00 O ATOM 1222 CB HIS A 75 78.131 -9.459 3.765 1.00 0.00 C ATOM 1223 CG HIS A 75 79.074 -8.344 4.144 1.00 0.00 C ATOM 1224 ND1 HIS A 75 78.679 -7.018 4.196 1.00 0.00 N ATOM 1225 CD2 HIS A 75 80.401 -8.352 4.494 1.00 0.00 C ATOM 1226 CE1 HIS A 75 79.749 -6.287 4.561 1.00 0.00 C ATOM 1227 NE2 HIS A 75 80.827 -7.052 4.756 1.00 0.00 N ATOM 0 H HIS A 75 79.928 -8.771 1.674 1.00 0.00 H new ATOM 0 HA HIS A 75 77.421 -10.412 1.912 1.00 0.00 H new ATOM 0 HB2 HIS A 75 77.149 -9.279 4.203 1.00 0.00 H new ATOM 0 HB3 HIS A 75 78.493 -10.404 4.170 1.00 0.00 H new ATOM 0 HD2 HIS A 75 81.022 -9.234 4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 75 79.737 -5.214 4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 75 81.760 -6.749 5.036 1.00 0.00 H new ATOM 1235 N THR A 76 76.338 -8.526 0.786 1.00 0.00 N ATOM 1236 CA THR A 76 75.588 -7.362 0.233 1.00 0.00 C ATOM 1237 C THR A 76 74.447 -6.922 1.179 1.00 0.00 C ATOM 1238 O THR A 76 74.281 -5.745 1.423 1.00 0.00 O ATOM 1239 CB THR A 76 75.028 -7.802 -1.128 1.00 0.00 C ATOM 1240 OG1 THR A 76 76.099 -8.070 -2.017 1.00 0.00 O ATOM 1241 CG2 THR A 76 74.156 -6.683 -1.701 1.00 0.00 C ATOM 0 H THR A 76 76.058 -9.438 0.425 1.00 0.00 H new ATOM 0 HA THR A 76 76.248 -6.501 0.127 1.00 0.00 H new ATOM 0 HB THR A 76 74.429 -8.704 -1.002 1.00 0.00 H new ATOM 0 HG1 THR A 76 76.750 -8.657 -1.578 1.00 0.00 H new ATOM 0 HG21 THR A 76 73.757 -6.991 -2.667 1.00 0.00 H new ATOM 0 HG22 THR A 76 73.333 -6.477 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.757 -5.782 -1.828 1.00 0.00 H new ATOM 1249 N PRO A 77 73.673 -7.862 1.675 1.00 0.00 N ATOM 1250 CA PRO A 77 72.540 -7.509 2.573 1.00 0.00 C ATOM 1251 C PRO A 77 73.026 -7.010 3.941 1.00 0.00 C ATOM 1252 O PRO A 77 72.434 -6.130 4.532 1.00 0.00 O ATOM 1253 CB PRO A 77 71.808 -8.846 2.727 1.00 0.00 C ATOM 1254 CG PRO A 77 72.563 -9.917 1.917 1.00 0.00 C ATOM 1255 CD PRO A 77 73.862 -9.303 1.378 1.00 0.00 C ATOM 0 HA PRO A 77 71.924 -6.703 2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.759 -9.131 3.778 1.00 0.00 H new ATOM 0 HB3 PRO A 77 70.781 -8.758 2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 77 72.785 -10.779 2.546 1.00 0.00 H new ATOM 0 HG3 PRO A 77 71.944 -10.274 1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.742 -9.710 1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.987 -9.486 0.311 1.00 0.00 H new ATOM 1263 N LYS A 78 74.075 -7.585 4.460 1.00 0.00 N ATOM 1264 CA LYS A 78 74.575 -7.168 5.807 1.00 0.00 C ATOM 1265 C LYS A 78 74.736 -5.643 5.895 1.00 0.00 C ATOM 1266 O LYS A 78 73.875 -4.940 6.392 1.00 0.00 O ATOM 1267 CB LYS A 78 75.926 -7.869 5.926 1.00 0.00 C ATOM 1268 CG LYS A 78 76.576 -7.543 7.270 1.00 0.00 C ATOM 1269 CD LYS A 78 77.404 -8.745 7.735 1.00 0.00 C ATOM 1270 CE LYS A 78 78.266 -8.338 8.933 1.00 0.00 C ATOM 1271 NZ LYS A 78 79.168 -9.501 9.183 1.00 0.00 N ATOM 0 H LYS A 78 74.611 -8.328 4.011 1.00 0.00 H new ATOM 0 HA LYS A 78 73.887 -7.435 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 78 75.794 -8.947 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 78 76.580 -7.554 5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 78 77.212 -6.663 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 78 75.811 -7.306 8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 78 76.746 -9.569 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 78 78.037 -9.101 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 78 78.838 -7.436 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 78 77.650 -8.123 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 79.788 -9.292 9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 78.597 -10.344 9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 79.749 -9.678 8.338 1.00 0.00 H new ATOM 1285 N GLU A 79 75.840 -5.131 5.425 1.00 0.00 N ATOM 1286 CA GLU A 79 76.084 -3.659 5.483 1.00 0.00 C ATOM 1287 C GLU A 79 76.184 -3.068 4.080 1.00 0.00 C ATOM 1288 O GLU A 79 76.670 -1.971 3.895 1.00 0.00 O ATOM 1289 CB GLU A 79 77.430 -3.524 6.209 1.00 0.00 C ATOM 1290 CG GLU A 79 77.265 -3.861 7.695 1.00 0.00 C ATOM 1291 CD GLU A 79 78.641 -4.010 8.348 1.00 0.00 C ATOM 1292 OE1 GLU A 79 79.630 -3.782 7.669 1.00 0.00 O ATOM 1293 OE2 GLU A 79 78.683 -4.341 9.521 1.00 0.00 O ATOM 0 H GLU A 79 76.591 -5.673 4.999 1.00 0.00 H new ATOM 0 HA GLU A 79 75.276 -3.129 5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 79 78.164 -4.191 5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 79 77.811 -2.509 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 79 76.698 -3.076 8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 79 76.697 -4.785 7.807 1.00 0.00 H new ATOM 1300 N LEU A 80 75.746 -3.788 3.085 1.00 0.00 N ATOM 1301 CA LEU A 80 75.843 -3.253 1.702 1.00 0.00 C ATOM 1302 C LEU A 80 74.456 -2.937 1.143 1.00 0.00 C ATOM 1303 O LEU A 80 74.313 -2.545 0.002 1.00 0.00 O ATOM 1304 CB LEU A 80 76.542 -4.353 0.914 1.00 0.00 C ATOM 1305 CG LEU A 80 78.051 -4.232 1.122 1.00 0.00 C ATOM 1306 CD1 LEU A 80 78.406 -4.654 2.545 1.00 0.00 C ATOM 1307 CD2 LEU A 80 78.780 -5.147 0.141 1.00 0.00 C ATOM 0 H LEU A 80 75.329 -4.715 3.170 1.00 0.00 H new ATOM 0 HA LEU A 80 76.394 -2.314 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.194 -5.332 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 80 76.300 -4.269 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 80 78.352 -3.198 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 80 79.483 -4.567 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 80 77.889 -4.009 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 80 78.100 -5.688 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 80 79.856 -5.059 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 80 78.474 -6.179 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 80 78.532 -4.857 -0.880 1.00 0.00 H new ATOM 1319 N GLY A 81 73.435 -3.073 1.942 1.00 0.00 N ATOM 1320 CA GLY A 81 72.071 -2.742 1.456 1.00 0.00 C ATOM 1321 C GLY A 81 72.053 -1.269 1.034 1.00 0.00 C ATOM 1322 O GLY A 81 71.166 -0.820 0.339 1.00 0.00 O ATOM 0 H GLY A 81 73.488 -3.398 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 81 71.803 -3.381 0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 81 71.335 -2.921 2.240 1.00 0.00 H new ATOM 1326 N MET A 82 73.042 -0.515 1.445 1.00 0.00 N ATOM 1327 CA MET A 82 73.097 0.925 1.068 1.00 0.00 C ATOM 1328 C MET A 82 73.123 1.068 -0.465 1.00 0.00 C ATOM 1329 O MET A 82 73.801 0.333 -1.154 1.00 0.00 O ATOM 1330 CB MET A 82 74.408 1.427 1.693 1.00 0.00 C ATOM 1331 CG MET A 82 74.284 1.433 3.223 1.00 0.00 C ATOM 1332 SD MET A 82 75.872 1.886 3.963 1.00 0.00 S ATOM 1333 CE MET A 82 75.206 2.920 5.287 1.00 0.00 C ATOM 0 H MET A 82 73.815 -0.839 2.027 1.00 0.00 H new ATOM 0 HA MET A 82 72.234 1.492 1.416 1.00 0.00 H new ATOM 0 HB2 MET A 82 75.236 0.787 1.388 1.00 0.00 H new ATOM 0 HB3 MET A 82 74.632 2.431 1.333 1.00 0.00 H new ATOM 0 HG2 MET A 82 73.513 2.139 3.532 1.00 0.00 H new ATOM 0 HG3 MET A 82 73.975 0.449 3.576 1.00 0.00 H new ATOM 0 HE1 MET A 82 76.026 3.317 5.886 1.00 0.00 H new ATOM 0 HE2 MET A 82 74.640 3.745 4.855 1.00 0.00 H new ATOM 0 HE3 MET A 82 74.550 2.323 5.920 1.00 0.00 H new ATOM 1343 N GLU A 83 72.375 2.004 -0.998 1.00 0.00 N ATOM 1344 CA GLU A 83 72.334 2.200 -2.486 1.00 0.00 C ATOM 1345 C GLU A 83 73.027 3.507 -2.873 1.00 0.00 C ATOM 1346 O GLU A 83 73.364 3.729 -4.016 1.00 0.00 O ATOM 1347 CB GLU A 83 70.845 2.286 -2.833 1.00 0.00 C ATOM 1348 CG GLU A 83 70.657 2.374 -4.353 1.00 0.00 C ATOM 1349 CD GLU A 83 69.173 2.568 -4.664 1.00 0.00 C ATOM 1350 OE1 GLU A 83 68.373 2.395 -3.760 1.00 0.00 O ATOM 1351 OE2 GLU A 83 68.861 2.884 -5.800 1.00 0.00 O ATOM 0 H GLU A 83 71.787 2.645 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 83 72.842 1.394 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 83 70.323 1.411 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 83 70.403 3.159 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 83 71.237 3.204 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 83 71.026 1.466 -4.830 1.00 0.00 H new ATOM 1358 N GLU A 84 73.214 4.388 -1.940 1.00 0.00 N ATOM 1359 CA GLU A 84 73.870 5.675 -2.282 1.00 0.00 C ATOM 1360 C GLU A 84 74.608 6.267 -1.078 1.00 0.00 C ATOM 1361 O GLU A 84 75.181 7.328 -1.170 1.00 0.00 O ATOM 1362 CB GLU A 84 72.730 6.595 -2.724 1.00 0.00 C ATOM 1363 CG GLU A 84 72.203 6.148 -4.090 1.00 0.00 C ATOM 1364 CD GLU A 84 71.079 7.085 -4.538 1.00 0.00 C ATOM 1365 OE1 GLU A 84 70.656 7.902 -3.736 1.00 0.00 O ATOM 1366 OE2 GLU A 84 70.655 6.963 -5.674 1.00 0.00 O ATOM 0 H GLU A 84 72.944 4.277 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 84 74.623 5.546 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 84 71.926 6.572 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 84 73.082 7.625 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 84 73.010 6.155 -4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 84 71.835 5.124 -4.032 1.00 0.00 H new ATOM 1373 N GLU A 85 74.617 5.605 0.045 1.00 0.00 N ATOM 1374 CA GLU A 85 75.342 6.175 1.217 1.00 0.00 C ATOM 1375 C GLU A 85 76.160 5.085 1.920 1.00 0.00 C ATOM 1376 O GLU A 85 75.617 4.178 2.516 1.00 0.00 O ATOM 1377 CB GLU A 85 74.255 6.725 2.153 1.00 0.00 C ATOM 1378 CG GLU A 85 73.384 7.753 1.411 1.00 0.00 C ATOM 1379 CD GLU A 85 72.200 7.048 0.734 1.00 0.00 C ATOM 1380 OE1 GLU A 85 72.163 5.831 0.767 1.00 0.00 O ATOM 1381 OE2 GLU A 85 71.346 7.743 0.203 1.00 0.00 O ATOM 0 H GLU A 85 74.161 4.706 0.203 1.00 0.00 H new ATOM 0 HA GLU A 85 76.042 6.955 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 85 73.633 5.908 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 85 74.716 7.190 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 85 73.018 8.505 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 85 73.981 8.276 0.664 1.00 0.00 H new ATOM 1388 N ASP A 86 77.465 5.181 1.860 1.00 0.00 N ATOM 1389 CA ASP A 86 78.335 4.168 2.524 1.00 0.00 C ATOM 1390 C ASP A 86 79.546 4.872 3.164 1.00 0.00 C ATOM 1391 O ASP A 86 80.033 5.857 2.651 1.00 0.00 O ATOM 1392 CB ASP A 86 78.786 3.246 1.394 1.00 0.00 C ATOM 1393 CG ASP A 86 79.399 1.974 1.985 1.00 0.00 C ATOM 1394 OD1 ASP A 86 79.926 2.044 3.084 1.00 0.00 O ATOM 1395 OD2 ASP A 86 79.335 0.951 1.324 1.00 0.00 O ATOM 0 H ASP A 86 77.967 5.925 1.375 1.00 0.00 H new ATOM 0 HA ASP A 86 77.823 3.621 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 86 77.938 2.992 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 86 79.516 3.755 0.764 1.00 0.00 H new ATOM 1400 N VAL A 87 80.039 4.382 4.275 1.00 0.00 N ATOM 1401 CA VAL A 87 81.215 5.050 4.920 1.00 0.00 C ATOM 1402 C VAL A 87 82.243 4.015 5.391 1.00 0.00 C ATOM 1403 O VAL A 87 81.925 3.098 6.121 1.00 0.00 O ATOM 1404 CB VAL A 87 80.629 5.788 6.119 1.00 0.00 C ATOM 1405 CG1 VAL A 87 80.026 4.764 7.081 1.00 0.00 C ATOM 1406 CG2 VAL A 87 81.732 6.575 6.840 1.00 0.00 C ATOM 0 H VAL A 87 79.684 3.558 4.760 1.00 0.00 H new ATOM 0 HA VAL A 87 81.734 5.714 4.229 1.00 0.00 H new ATOM 0 HB VAL A 87 79.861 6.483 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 87 79.603 5.280 7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 87 79.241 4.205 6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 87 80.803 4.076 7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 87 81.305 7.099 7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 87 82.504 5.887 7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 87 82.171 7.298 6.153 1.00 0.00 H new ATOM 1416 N ILE A 88 83.476 4.165 4.989 1.00 0.00 N ATOM 1417 CA ILE A 88 84.527 3.202 5.425 1.00 0.00 C ATOM 1418 C ILE A 88 85.749 3.940 5.965 1.00 0.00 C ATOM 1419 O ILE A 88 86.108 5.010 5.508 1.00 0.00 O ATOM 1420 CB ILE A 88 84.954 2.442 4.171 1.00 0.00 C ATOM 1421 CG1 ILE A 88 83.839 1.536 3.668 1.00 0.00 C ATOM 1422 CG2 ILE A 88 86.168 1.570 4.500 1.00 0.00 C ATOM 1423 CD1 ILE A 88 83.025 2.266 2.597 1.00 0.00 C ATOM 0 H ILE A 88 83.801 4.913 4.377 1.00 0.00 H new ATOM 0 HA ILE A 88 84.140 2.550 6.208 1.00 0.00 H new ATOM 0 HB ILE A 88 85.194 3.173 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 88 84.260 0.619 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 88 83.192 1.246 4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 88 86.477 1.025 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 88 86.988 2.202 4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 88 85.905 0.861 5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 88 82.228 1.615 2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 88 82.591 3.170 3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 88 83.676 2.534 1.765 1.00 0.00 H new ATOM 1435 N GLU A 89 86.432 3.336 6.889 1.00 0.00 N ATOM 1436 CA GLU A 89 87.672 3.951 7.409 1.00 0.00 C ATOM 1437 C GLU A 89 88.804 2.964 7.145 1.00 0.00 C ATOM 1438 O GLU A 89 88.724 1.814 7.517 1.00 0.00 O ATOM 1439 CB GLU A 89 87.431 4.146 8.906 1.00 0.00 C ATOM 1440 CG GLU A 89 86.294 5.148 9.104 1.00 0.00 C ATOM 1441 CD GLU A 89 86.081 5.400 10.597 1.00 0.00 C ATOM 1442 OE1 GLU A 89 86.104 4.441 11.350 1.00 0.00 O ATOM 1443 OE2 GLU A 89 85.901 6.550 10.959 1.00 0.00 O ATOM 0 H GLU A 89 86.182 2.440 7.307 1.00 0.00 H new ATOM 0 HA GLU A 89 87.931 4.904 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 89 87.179 3.194 9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 89 88.339 4.507 9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 89 86.529 6.084 8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 89 85.377 4.765 8.656 1.00 0.00 H new ATOM 1450 N VAL A 90 89.847 3.372 6.484 1.00 0.00 N ATOM 1451 CA VAL A 90 90.940 2.392 6.204 1.00 0.00 C ATOM 1452 C VAL A 90 92.174 2.713 7.031 1.00 0.00 C ATOM 1453 O VAL A 90 92.607 3.843 7.114 1.00 0.00 O ATOM 1454 CB VAL A 90 91.292 2.486 4.704 1.00 0.00 C ATOM 1455 CG1 VAL A 90 90.949 1.184 3.996 1.00 0.00 C ATOM 1456 CG2 VAL A 90 90.517 3.597 4.025 1.00 0.00 C ATOM 0 H VAL A 90 89.994 4.317 6.131 1.00 0.00 H new ATOM 0 HA VAL A 90 90.606 1.388 6.464 1.00 0.00 H new ATOM 0 HB VAL A 90 92.361 2.689 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 90 91.203 1.267 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 90 91.515 0.367 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 90 89.882 0.984 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 90 90.787 3.637 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 90 89.448 3.405 4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 90 90.757 4.549 4.497 1.00 0.00 H new ATOM 1466 N TYR A 91 92.761 1.714 7.619 1.00 0.00 N ATOM 1467 CA TYR A 91 93.996 1.949 8.414 1.00 0.00 C ATOM 1468 C TYR A 91 95.200 1.499 7.602 1.00 0.00 C ATOM 1469 O TYR A 91 95.439 0.322 7.408 1.00 0.00 O ATOM 1470 CB TYR A 91 93.832 1.133 9.700 1.00 0.00 C ATOM 1471 CG TYR A 91 92.698 1.715 10.506 1.00 0.00 C ATOM 1472 CD1 TYR A 91 92.898 2.890 11.247 1.00 0.00 C ATOM 1473 CD2 TYR A 91 91.442 1.097 10.498 1.00 0.00 C ATOM 1474 CE1 TYR A 91 91.842 3.441 11.980 1.00 0.00 C ATOM 1475 CE2 TYR A 91 90.384 1.651 11.226 1.00 0.00 C ATOM 1476 CZ TYR A 91 90.583 2.821 11.970 1.00 0.00 C ATOM 1477 OH TYR A 91 89.536 3.370 12.683 1.00 0.00 O ATOM 0 H TYR A 91 92.441 0.746 7.585 1.00 0.00 H new ATOM 0 HA TYR A 91 94.151 3.000 8.658 1.00 0.00 H new ATOM 0 HB2 TYR A 91 93.628 0.089 9.461 1.00 0.00 H new ATOM 0 HB3 TYR A 91 94.755 1.153 10.279 1.00 0.00 H new ATOM 0 HD1 TYR A 91 93.866 3.368 11.251 1.00 0.00 H new ATOM 0 HD2 TYR A 91 91.290 0.192 9.929 1.00 0.00 H new ATOM 0 HE1 TYR A 91 91.995 4.343 12.553 1.00 0.00 H new ATOM 0 HE2 TYR A 91 89.414 1.177 11.214 1.00 0.00 H new ATOM 0 HH TYR A 91 88.736 2.817 12.567 1.00 0.00 H new ATOM 1487 N GLN A 92 95.948 2.442 7.105 1.00 0.00 N ATOM 1488 CA GLN A 92 97.126 2.098 6.272 1.00 0.00 C ATOM 1489 C GLN A 92 98.373 1.924 7.148 1.00 0.00 C ATOM 1490 O GLN A 92 98.564 2.629 8.118 1.00 0.00 O ATOM 1491 CB GLN A 92 97.305 3.293 5.334 1.00 0.00 C ATOM 1492 CG GLN A 92 96.061 3.497 4.474 1.00 0.00 C ATOM 1493 CD GLN A 92 95.844 4.990 4.224 1.00 0.00 C ATOM 1494 OE1 GLN A 92 96.634 5.812 4.647 1.00 0.00 O ATOM 1495 NE2 GLN A 92 94.807 5.379 3.532 1.00 0.00 N ATOM 0 H GLN A 92 95.791 3.441 7.242 1.00 0.00 H new ATOM 0 HA GLN A 92 96.985 1.162 5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 92 97.501 4.193 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 92 98.173 3.132 4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 92 96.174 2.973 3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 92 95.190 3.072 4.972 1.00 0.00 H new ATOM 0 HE21 GLN A 92 94.144 4.691 3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 92 94.660 6.371 3.347 1.00 0.00 H new