USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 581 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -144:sc= 0.701 (180deg=-0.131) USER MOD Single : A 29 GLN : amide:sc= -3.33! C(o=-3.3!,f=-12!) USER MOD Single : A 31 SER OG : rot -38:sc= 0.733 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.038 K(o=-0.038,f=-5.6!) USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= -1.7! (180deg=-2.82!) USER MOD Single : A 40 MET CE :methyl -144:sc= -1.78! (180deg=-4.24!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -0.55 K(o=-0.55,f=-3.8!) USER MOD Single : A 45 LYS NZ :NH3+ -118:sc= 1.78 (180deg=0.642) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc=-0.00908 (180deg=-0.108) USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= -1.27 (180deg=-5.33!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 60:sc= 1.03 USER MOD Single : A 53 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.0029) USER MOD Single : A 55 GLN : amide:sc= -0.0933 K(o=-0.093,f=-1.5) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.15) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.94) USER MOD Single : A 74 ASN : amide:sc= 0.316 K(o=0.32,f=-6!) USER MOD Single : A 75 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-6.1!) USER MOD Single : A 76 THR OG1 : rot -126:sc= -4.46! USER MOD Single : A 78 LYS NZ :NH3+ -125:sc= 0.513 (180deg=-0.00696) USER MOD Single : A 82 MET CE :methyl -171:sc= -4.86! (180deg=-5.35!) USER MOD Single : A 91 TYR OH : rot 66:sc= 1.23 USER MOD Single : A 92 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -10.380 7.491 6.992 1.00 0.00 N ATOM 312 CA ILE A 22 -10.414 7.396 5.553 1.00 0.00 C ATOM 313 C ILE A 22 -10.421 5.929 5.126 1.00 0.00 C ATOM 314 O ILE A 22 -9.747 5.095 5.714 1.00 0.00 O ATOM 315 CB ILE A 22 -9.227 8.177 4.901 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.830 7.581 3.546 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.036 8.237 5.838 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.779 8.388 2.814 1.00 0.00 C ATOM 0 HA ILE A 22 -11.333 7.862 5.198 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.569 9.196 4.720 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.457 6.568 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.718 7.502 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.224 8.786 5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.323 8.744 6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.703 7.225 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.547 7.907 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.156 9.394 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.876 8.445 3.421 1.00 0.00 H new ATOM 330 N LYS A 23 -11.215 5.612 4.135 1.00 0.00 N ATOM 331 CA LYS A 23 -11.323 4.247 3.652 1.00 0.00 C ATOM 332 C LYS A 23 -10.624 4.096 2.312 1.00 0.00 C ATOM 333 O LYS A 23 -10.837 4.888 1.404 1.00 0.00 O ATOM 334 CB LYS A 23 -12.799 3.852 3.541 1.00 0.00 C ATOM 335 CG LYS A 23 -13.656 4.876 2.795 1.00 0.00 C ATOM 336 CD LYS A 23 -15.137 4.543 2.873 1.00 0.00 C ATOM 337 CE LYS A 23 -15.467 3.265 2.122 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.894 2.897 2.270 1.00 0.00 N ATOM 0 H LYS A 23 -11.803 6.282 3.639 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.833 3.581 4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.871 2.891 3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.205 3.713 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.485 5.867 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.348 4.915 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.432 4.438 3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.717 5.368 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.232 3.392 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.841 2.453 2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.083 2.020 1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.112 2.751 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.490 3.661 1.894 1.00 0.00 H new ATOM 352 N LEU A 24 -9.774 3.097 2.190 1.00 0.00 N ATOM 353 CA LEU A 24 -9.052 2.866 0.946 1.00 0.00 C ATOM 354 C LEU A 24 -9.221 1.437 0.464 1.00 0.00 C ATOM 355 O LEU A 24 -9.536 0.535 1.244 1.00 0.00 O ATOM 356 CB LEU A 24 -7.561 3.172 1.124 1.00 0.00 C ATOM 357 CG LEU A 24 -7.202 4.633 1.386 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.706 4.781 1.583 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.675 5.510 0.238 1.00 0.00 C ATOM 0 H LEU A 24 -9.563 2.431 2.933 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.472 3.536 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.184 2.572 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.034 2.845 0.228 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.706 4.956 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.465 5.828 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.390 4.179 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.186 4.443 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.411 6.548 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.197 5.188 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.757 5.424 0.136 1.00 0.00 H new ATOM 371 N LYS A 25 -9.018 1.227 -0.825 1.00 0.00 N ATOM 372 CA LYS A 25 -9.091 -0.098 -1.396 1.00 0.00 C ATOM 373 C LYS A 25 -7.877 -0.378 -2.246 1.00 0.00 C ATOM 374 O LYS A 25 -7.490 0.417 -3.105 1.00 0.00 O ATOM 375 CB LYS A 25 -10.402 -0.302 -2.190 1.00 0.00 C ATOM 376 CG LYS A 25 -10.409 -1.504 -3.163 1.00 0.00 C ATOM 377 CD LYS A 25 -9.970 -1.094 -4.568 1.00 0.00 C ATOM 378 CE LYS A 25 -10.559 -2.000 -5.640 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.039 -1.865 -5.762 1.00 0.00 N ATOM 0 H LYS A 25 -8.800 1.964 -1.496 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.100 -0.818 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.221 -0.426 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.607 0.605 -2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.745 -2.282 -2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.410 -1.933 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.275 -0.065 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.882 -1.120 -4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.097 -1.767 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.311 -3.036 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.456 -2.793 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.430 -1.510 -4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.265 -1.198 -6.527 1.00 0.00 H new ATOM 393 N VAL A 26 -7.252 -1.491 -1.984 1.00 0.00 N ATOM 394 CA VAL A 26 -6.118 -1.925 -2.750 1.00 0.00 C ATOM 395 C VAL A 26 -6.586 -2.910 -3.798 1.00 0.00 C ATOM 396 O VAL A 26 -7.350 -3.826 -3.500 1.00 0.00 O ATOM 397 CB VAL A 26 -5.041 -2.579 -1.851 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.917 -3.162 -2.692 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.494 -1.565 -0.859 1.00 0.00 C ATOM 0 H VAL A 26 -7.516 -2.125 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.663 -1.056 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.506 -3.393 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.172 -3.616 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.321 -3.919 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.451 -2.369 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.738 -2.039 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.047 -0.731 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.305 -1.196 -0.231 1.00 0.00 H new ATOM 409 N ILE A 27 -6.157 -2.717 -5.021 1.00 0.00 N ATOM 410 CA ILE A 27 -6.559 -3.584 -6.102 1.00 0.00 C ATOM 411 C ILE A 27 -5.333 -4.099 -6.852 1.00 0.00 C ATOM 412 O ILE A 27 -4.268 -3.490 -6.807 1.00 0.00 O ATOM 413 CB ILE A 27 -7.515 -2.850 -7.079 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.135 -3.835 -8.076 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.791 -1.725 -7.808 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.085 -3.197 -9.061 1.00 0.00 C ATOM 0 H ILE A 27 -5.526 -1.963 -5.294 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.095 -4.432 -5.674 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.321 -2.407 -6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.335 -4.330 -8.627 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.667 -4.609 -7.523 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.483 -1.227 -8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.413 -1.005 -7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.958 -2.137 -8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.481 -3.960 -9.731 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.907 -2.727 -8.521 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.554 -2.443 -9.642 1.00 0.00 H new ATOM 428 N GLY A 28 -5.473 -5.231 -7.511 1.00 0.00 N ATOM 429 CA GLY A 28 -4.388 -5.781 -8.285 1.00 0.00 C ATOM 430 C GLY A 28 -4.871 -6.248 -9.630 1.00 0.00 C ATOM 431 O GLY A 28 -6.072 -6.450 -9.821 1.00 0.00 O ATOM 0 H GLY A 28 -6.329 -5.785 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.610 -5.028 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.938 -6.615 -7.746 1.00 0.00 H new ATOM 435 N GLN A 29 -3.951 -6.460 -10.574 1.00 0.00 N ATOM 436 CA GLN A 29 -4.326 -6.905 -11.928 1.00 0.00 C ATOM 437 C GLN A 29 -4.995 -8.288 -11.894 1.00 0.00 C ATOM 438 O GLN A 29 -5.584 -8.736 -12.876 1.00 0.00 O ATOM 439 CB GLN A 29 -3.112 -6.929 -12.877 1.00 0.00 C ATOM 440 CG GLN A 29 -2.163 -8.109 -12.681 1.00 0.00 C ATOM 441 CD GLN A 29 -1.225 -7.941 -11.506 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.151 -7.385 -11.644 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.608 -8.454 -10.358 1.00 0.00 N ATOM 0 H GLN A 29 -2.949 -6.334 -10.433 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.043 -6.180 -12.312 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.474 -6.940 -13.905 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.550 -6.004 -12.747 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.749 -9.017 -12.541 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.575 -8.247 -13.588 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.516 -8.912 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.997 -8.394 -9.543 1.00 0.00 H new ATOM 452 N ASP A 30 -4.919 -8.950 -10.747 1.00 0.00 N ATOM 453 CA ASP A 30 -5.522 -10.266 -10.565 1.00 0.00 C ATOM 454 C ASP A 30 -7.019 -10.121 -10.245 1.00 0.00 C ATOM 455 O ASP A 30 -7.711 -11.098 -9.989 1.00 0.00 O ATOM 456 CB ASP A 30 -4.794 -11.019 -9.432 1.00 0.00 C ATOM 457 CG ASP A 30 -5.235 -12.469 -9.284 1.00 0.00 C ATOM 458 OD1 ASP A 30 -4.738 -13.331 -10.034 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.071 -12.750 -8.408 1.00 0.00 O ATOM 0 H ASP A 30 -4.441 -8.593 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.422 -10.839 -11.487 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.721 -10.992 -9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.967 -10.497 -8.491 1.00 0.00 H new ATOM 464 N SER A 31 -7.509 -8.871 -10.271 1.00 0.00 N ATOM 465 CA SER A 31 -8.912 -8.552 -9.975 1.00 0.00 C ATOM 466 C SER A 31 -9.189 -8.705 -8.482 1.00 0.00 C ATOM 467 O SER A 31 -10.341 -8.774 -8.038 1.00 0.00 O ATOM 468 CB SER A 31 -9.875 -9.422 -10.816 1.00 0.00 C ATOM 469 OG SER A 31 -11.233 -9.056 -10.601 1.00 0.00 O ATOM 0 H SER A 31 -6.942 -8.054 -10.498 1.00 0.00 H new ATOM 0 HA SER A 31 -9.090 -7.512 -10.250 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.632 -9.317 -11.873 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.735 -10.472 -10.560 1.00 0.00 H new ATOM 0 HG SER A 31 -11.365 -8.827 -9.657 1.00 0.00 H new ATOM 475 N SER A 32 -8.128 -8.731 -7.699 1.00 0.00 N ATOM 476 CA SER A 32 -8.243 -8.862 -6.266 1.00 0.00 C ATOM 477 C SER A 32 -8.328 -7.481 -5.636 1.00 0.00 C ATOM 478 O SER A 32 -7.608 -6.562 -6.034 1.00 0.00 O ATOM 479 CB SER A 32 -7.041 -9.637 -5.705 1.00 0.00 C ATOM 480 OG SER A 32 -7.197 -9.910 -4.320 1.00 0.00 O ATOM 0 H SER A 32 -7.169 -8.662 -8.039 1.00 0.00 H new ATOM 0 HA SER A 32 -9.149 -9.418 -6.026 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.924 -10.573 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.130 -9.060 -5.863 1.00 0.00 H new ATOM 0 HG SER A 32 -6.417 -10.405 -3.994 1.00 0.00 H new ATOM 486 N GLU A 33 -9.214 -7.324 -4.669 1.00 0.00 N ATOM 487 CA GLU A 33 -9.380 -6.055 -4.001 1.00 0.00 C ATOM 488 C GLU A 33 -9.609 -6.228 -2.521 1.00 0.00 C ATOM 489 O GLU A 33 -10.167 -7.232 -2.067 1.00 0.00 O ATOM 490 CB GLU A 33 -10.510 -5.247 -4.610 1.00 0.00 C ATOM 491 CG GLU A 33 -11.865 -5.909 -4.578 1.00 0.00 C ATOM 492 CD GLU A 33 -12.959 -4.927 -4.900 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.061 -4.507 -6.072 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.697 -4.535 -3.979 1.00 0.00 O ATOM 0 H GLU A 33 -9.829 -8.064 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.449 -5.506 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.577 -4.294 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.257 -5.023 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.888 -6.731 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.039 -6.340 -3.592 1.00 0.00 H new ATOM 501 N ILE A 34 -9.172 -5.246 -1.766 1.00 0.00 N ATOM 502 CA ILE A 34 -9.323 -5.240 -0.327 1.00 0.00 C ATOM 503 C ILE A 34 -9.635 -3.837 0.157 1.00 0.00 C ATOM 504 O ILE A 34 -8.966 -2.876 -0.219 1.00 0.00 O ATOM 505 CB ILE A 34 -8.053 -5.756 0.386 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.798 -5.106 -0.213 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.974 -7.270 0.317 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.499 -5.614 0.370 1.00 0.00 C ATOM 0 H ILE A 34 -8.698 -4.422 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.147 -5.911 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.109 -5.474 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.792 -5.278 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.854 -4.028 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.072 -7.611 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.849 -7.702 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.944 -7.586 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.662 -5.104 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.480 -5.418 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.417 -6.687 0.196 1.00 0.00 H new ATOM 520 N HIS A 35 -10.663 -3.709 0.967 1.00 0.00 N ATOM 521 CA HIS A 35 -11.064 -2.409 1.490 1.00 0.00 C ATOM 522 C HIS A 35 -10.693 -2.317 2.952 1.00 0.00 C ATOM 523 O HIS A 35 -11.115 -3.141 3.762 1.00 0.00 O ATOM 524 CB HIS A 35 -12.575 -2.193 1.326 1.00 0.00 C ATOM 525 CG HIS A 35 -13.057 -2.169 -0.097 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.946 -1.238 -0.569 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.804 -2.996 -1.139 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.223 -1.493 -1.830 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.543 -2.558 -2.200 1.00 0.00 N ATOM 0 H HIS A 35 -11.242 -4.488 1.282 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.544 -1.634 0.927 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.101 -2.985 1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.847 -1.251 1.803 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.139 -3.847 -1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.895 -0.924 -2.456 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.565 -2.985 -3.126 1.00 0.00 H new ATOM 538 N PHE A 36 -9.904 -1.326 3.302 1.00 0.00 N ATOM 539 CA PHE A 36 -9.466 -1.167 4.675 1.00 0.00 C ATOM 540 C PHE A 36 -9.698 0.240 5.188 1.00 0.00 C ATOM 541 O PHE A 36 -9.616 1.224 4.443 1.00 0.00 O ATOM 542 CB PHE A 36 -7.992 -1.544 4.836 1.00 0.00 C ATOM 543 CG PHE A 36 -7.729 -3.026 4.836 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.872 -3.763 6.001 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.334 -3.680 3.681 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.627 -5.121 6.015 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.089 -5.040 3.690 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.235 -5.760 4.858 1.00 0.00 C ATOM 0 H PHE A 36 -9.552 -0.618 2.658 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.071 -1.848 5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.421 -1.085 4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.620 -1.121 5.769 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.179 -3.268 6.910 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.216 -3.122 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.742 -5.682 6.931 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.783 -5.539 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.042 -6.823 4.866 1.00 0.00 H new ATOM 558 N LYS A 37 -9.994 0.324 6.464 1.00 0.00 N ATOM 559 CA LYS A 37 -10.213 1.589 7.128 1.00 0.00 C ATOM 560 C LYS A 37 -8.906 2.093 7.703 1.00 0.00 C ATOM 561 O LYS A 37 -8.335 1.480 8.607 1.00 0.00 O ATOM 562 CB LYS A 37 -11.224 1.430 8.252 1.00 0.00 C ATOM 563 CG LYS A 37 -11.582 2.739 8.933 1.00 0.00 C ATOM 564 CD LYS A 37 -12.085 2.529 10.353 1.00 0.00 C ATOM 565 CE LYS A 37 -10.936 2.315 11.342 1.00 0.00 C ATOM 566 NZ LYS A 37 -10.255 0.995 11.180 1.00 0.00 N ATOM 0 H LYS A 37 -10.090 -0.487 7.074 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.599 2.303 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.131 0.977 7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.824 0.740 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.707 3.388 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.347 3.252 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.672 3.394 10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.751 1.666 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.203 3.112 11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.321 2.395 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.810 0.722 12.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.954 0.275 10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.527 1.068 10.441 1.00 0.00 H new ATOM 580 N VAL A 38 -8.441 3.207 7.203 1.00 0.00 N ATOM 581 CA VAL A 38 -7.179 3.763 7.631 1.00 0.00 C ATOM 582 C VAL A 38 -7.367 5.160 8.214 1.00 0.00 C ATOM 583 O VAL A 38 -8.459 5.734 8.156 1.00 0.00 O ATOM 584 CB VAL A 38 -6.160 3.808 6.457 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.826 2.404 5.983 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.690 4.647 5.300 1.00 0.00 C ATOM 0 H VAL A 38 -8.922 3.755 6.490 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.781 3.112 8.409 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.248 4.277 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.112 2.458 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.391 1.836 6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.735 1.909 5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.956 4.660 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.622 4.216 4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.871 5.666 5.642 1.00 0.00 H new ATOM 622 N MET A 40 -5.271 9.158 8.882 1.00 0.00 N ATOM 623 CA MET A 40 -4.676 10.164 8.021 1.00 0.00 C ATOM 624 C MET A 40 -3.218 9.826 7.743 1.00 0.00 C ATOM 625 O MET A 40 -2.728 10.001 6.633 1.00 0.00 O ATOM 626 CB MET A 40 -4.793 11.557 8.658 1.00 0.00 C ATOM 627 CG MET A 40 -4.335 12.718 7.771 1.00 0.00 C ATOM 628 SD MET A 40 -5.574 13.267 6.553 1.00 0.00 S ATOM 629 CE MET A 40 -5.632 11.894 5.397 1.00 0.00 C ATOM 0 HA MET A 40 -5.217 10.173 7.075 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.832 11.724 8.940 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.207 11.569 9.577 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.069 13.562 8.407 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.430 12.420 7.242 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.781 12.275 4.387 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.694 11.341 5.442 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.457 11.232 5.660 1.00 0.00 H new ATOM 639 N THR A 41 -2.534 9.287 8.733 1.00 0.00 N ATOM 640 CA THR A 41 -1.121 8.997 8.607 1.00 0.00 C ATOM 641 C THR A 41 -0.831 7.485 8.637 1.00 0.00 C ATOM 642 O THR A 41 0.255 7.064 9.035 1.00 0.00 O ATOM 643 CB THR A 41 -0.331 9.691 9.733 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.867 9.306 11.009 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.408 11.203 9.591 1.00 0.00 C ATOM 0 H THR A 41 -2.937 9.040 9.637 1.00 0.00 H new ATOM 0 HA THR A 41 -0.803 9.380 7.638 1.00 0.00 H new ATOM 0 HB THR A 41 0.712 9.384 9.662 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.361 9.748 11.723 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.156 11.673 10.396 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.013 11.500 8.631 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.449 11.521 9.644 1.00 0.00 H new ATOM 653 N THR A 42 -1.788 6.664 8.204 1.00 0.00 N ATOM 654 CA THR A 42 -1.576 5.217 8.171 1.00 0.00 C ATOM 655 C THR A 42 -0.533 4.838 7.129 1.00 0.00 C ATOM 656 O THR A 42 -0.655 5.186 5.953 1.00 0.00 O ATOM 657 CB THR A 42 -2.879 4.443 7.864 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.824 4.644 8.909 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.605 2.952 7.722 1.00 0.00 C ATOM 0 H THR A 42 -2.704 6.970 7.876 1.00 0.00 H new ATOM 0 HA THR A 42 -1.226 4.940 9.166 1.00 0.00 H new ATOM 0 HB THR A 42 -3.281 4.821 6.924 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.496 3.931 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.537 2.430 7.506 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.900 2.788 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.181 2.570 8.651 1.00 0.00 H new ATOM 667 N HIS A 43 0.497 4.137 7.558 1.00 0.00 N ATOM 668 CA HIS A 43 1.514 3.661 6.648 1.00 0.00 C ATOM 669 C HIS A 43 0.967 2.477 5.894 1.00 0.00 C ATOM 670 O HIS A 43 0.903 1.361 6.415 1.00 0.00 O ATOM 671 CB HIS A 43 2.804 3.286 7.390 1.00 0.00 C ATOM 672 CG HIS A 43 3.495 4.458 8.017 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.864 4.586 8.083 1.00 0.00 N ATOM 674 CD2 HIS A 43 2.992 5.557 8.614 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.168 5.713 8.698 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.048 6.320 9.030 1.00 0.00 N ATOM 0 H HIS A 43 0.650 3.885 8.534 1.00 0.00 H new ATOM 0 HA HIS A 43 1.771 4.459 5.951 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.569 2.556 8.164 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.487 2.802 6.692 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.538 3.915 7.714 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.946 5.792 8.741 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.166 6.076 8.895 1.00 0.00 H new ATOM 685 N LEU A 44 0.551 2.724 4.668 1.00 0.00 N ATOM 686 CA LEU A 44 -0.086 1.704 3.832 1.00 0.00 C ATOM 687 C LEU A 44 0.822 0.519 3.565 1.00 0.00 C ATOM 688 O LEU A 44 0.370 -0.527 3.099 1.00 0.00 O ATOM 689 CB LEU A 44 -0.572 2.302 2.523 1.00 0.00 C ATOM 690 CG LEU A 44 -1.671 3.349 2.648 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.083 3.843 1.281 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.874 2.787 3.395 1.00 0.00 C ATOM 0 H LEU A 44 0.641 3.634 4.216 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.944 1.333 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.279 2.753 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.935 1.494 1.887 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.278 4.189 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.869 4.591 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.223 4.288 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.454 3.007 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.645 3.553 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.269 1.927 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.569 2.478 4.395 1.00 0.00 H new ATOM 704 N LYS A 45 2.099 0.678 3.847 1.00 0.00 N ATOM 705 CA LYS A 45 3.050 -0.404 3.721 1.00 0.00 C ATOM 706 C LYS A 45 2.587 -1.609 4.546 1.00 0.00 C ATOM 707 O LYS A 45 2.630 -2.741 4.081 1.00 0.00 O ATOM 708 CB LYS A 45 4.446 0.089 4.147 1.00 0.00 C ATOM 709 CG LYS A 45 5.445 -0.994 4.574 1.00 0.00 C ATOM 710 CD LYS A 45 5.651 -2.071 3.518 1.00 0.00 C ATOM 711 CE LYS A 45 6.144 -1.529 2.202 1.00 0.00 C ATOM 712 NZ LYS A 45 6.586 -2.623 1.296 1.00 0.00 N ATOM 0 H LYS A 45 2.504 1.557 4.168 1.00 0.00 H new ATOM 0 HA LYS A 45 3.112 -0.728 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.880 0.648 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.325 0.789 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.404 -0.526 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.094 -1.460 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.366 -2.804 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.710 -2.597 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.350 -0.956 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.972 -0.842 2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.598 -2.512 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.427 -3.541 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.042 -2.582 0.411 1.00 0.00 H new ATOM 726 N LYS A 46 2.084 -1.351 5.748 1.00 0.00 N ATOM 727 CA LYS A 46 1.601 -2.416 6.623 1.00 0.00 C ATOM 728 C LYS A 46 0.402 -3.132 5.997 1.00 0.00 C ATOM 729 O LYS A 46 0.228 -4.343 6.154 1.00 0.00 O ATOM 730 CB LYS A 46 1.230 -1.844 7.999 1.00 0.00 C ATOM 731 CG LYS A 46 0.639 -2.864 8.976 1.00 0.00 C ATOM 732 CD LYS A 46 1.551 -4.076 9.163 1.00 0.00 C ATOM 733 CE LYS A 46 2.916 -3.685 9.723 1.00 0.00 C ATOM 734 NZ LYS A 46 2.809 -3.034 11.054 1.00 0.00 N ATOM 0 H LYS A 46 1.999 -0.413 6.140 1.00 0.00 H new ATOM 0 HA LYS A 46 2.400 -3.146 6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.121 -1.405 8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.512 -1.036 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.470 -2.386 9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.333 -3.195 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.074 -4.788 9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.683 -4.581 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.542 -4.574 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.412 -3.008 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.757 -2.939 11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.382 -2.092 10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.213 -3.615 11.678 1.00 0.00 H new ATOM 748 N LEU A 47 -0.400 -2.392 5.252 1.00 0.00 N ATOM 749 CA LEU A 47 -1.573 -2.950 4.612 1.00 0.00 C ATOM 750 C LEU A 47 -1.128 -3.811 3.433 1.00 0.00 C ATOM 751 O LEU A 47 -1.603 -4.931 3.238 1.00 0.00 O ATOM 752 CB LEU A 47 -2.504 -1.806 4.139 1.00 0.00 C ATOM 753 CG LEU A 47 -3.935 -2.187 3.694 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.774 -0.936 3.487 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.927 -3.013 2.414 1.00 0.00 C ATOM 0 H LEU A 47 -0.257 -1.398 5.076 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.127 -3.570 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.586 -1.082 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.017 -1.299 3.306 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.371 -2.794 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.779 -1.220 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.829 -0.376 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.316 -0.314 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.951 -3.261 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.461 -2.439 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.363 -3.932 2.577 1.00 0.00 H new ATOM 767 N LYS A 48 -0.196 -3.282 2.654 1.00 0.00 N ATOM 768 CA LYS A 48 0.323 -3.979 1.490 1.00 0.00 C ATOM 769 C LYS A 48 0.980 -5.292 1.881 1.00 0.00 C ATOM 770 O LYS A 48 0.680 -6.339 1.304 1.00 0.00 O ATOM 771 CB LYS A 48 1.314 -3.098 0.734 1.00 0.00 C ATOM 772 CG LYS A 48 0.678 -2.204 -0.322 1.00 0.00 C ATOM 773 CD LYS A 48 -0.372 -1.285 0.259 1.00 0.00 C ATOM 774 CE LYS A 48 -0.948 -0.384 -0.808 1.00 0.00 C ATOM 775 NZ LYS A 48 -1.429 -1.167 -1.976 1.00 0.00 N ATOM 0 H LYS A 48 0.219 -2.363 2.811 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.519 -4.203 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.846 -2.472 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.057 -3.736 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.453 -1.608 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.226 -2.825 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.169 -1.876 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.067 -0.681 1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.772 0.195 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.190 0.329 -1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.295 -0.732 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.697 -1.175 -2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.632 -2.143 -1.680 1.00 0.00 H new ATOM 789 N GLU A 49 1.887 -5.241 2.857 1.00 0.00 N ATOM 790 CA GLU A 49 2.558 -6.443 3.345 1.00 0.00 C ATOM 791 C GLU A 49 1.533 -7.461 3.834 1.00 0.00 C ATOM 792 O GLU A 49 1.669 -8.655 3.594 1.00 0.00 O ATOM 793 CB GLU A 49 3.523 -6.105 4.482 1.00 0.00 C ATOM 794 CG GLU A 49 4.521 -5.027 4.160 1.00 0.00 C ATOM 795 CD GLU A 49 5.486 -5.386 3.049 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.471 -6.110 3.324 1.00 0.00 O ATOM 797 OE2 GLU A 49 5.291 -4.912 1.911 1.00 0.00 O ATOM 0 H GLU A 49 2.173 -4.380 3.324 1.00 0.00 H new ATOM 0 HA GLU A 49 3.125 -6.870 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.944 -5.797 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.063 -7.009 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.983 -4.121 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.091 -4.794 5.060 1.00 0.00 H new ATOM 804 N SER A 50 0.489 -6.978 4.509 1.00 0.00 N ATOM 805 CA SER A 50 -0.564 -7.844 5.020 1.00 0.00 C ATOM 806 C SER A 50 -1.201 -8.619 3.875 1.00 0.00 C ATOM 807 O SER A 50 -1.367 -9.840 3.945 1.00 0.00 O ATOM 808 CB SER A 50 -1.625 -7.020 5.759 1.00 0.00 C ATOM 809 OG SER A 50 -2.635 -7.851 6.304 1.00 0.00 O ATOM 0 H SER A 50 0.354 -5.988 4.713 1.00 0.00 H new ATOM 0 HA SER A 50 -0.125 -8.551 5.724 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.153 -6.447 6.557 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.073 -6.301 5.073 1.00 0.00 H new ATOM 0 HG SER A 50 -3.297 -7.299 6.770 1.00 0.00 H new ATOM 815 N TYR A 51 -1.526 -7.911 2.804 1.00 0.00 N ATOM 816 CA TYR A 51 -2.114 -8.514 1.631 1.00 0.00 C ATOM 817 C TYR A 51 -1.164 -9.524 1.008 1.00 0.00 C ATOM 818 O TYR A 51 -1.570 -10.617 0.620 1.00 0.00 O ATOM 819 CB TYR A 51 -2.501 -7.422 0.624 1.00 0.00 C ATOM 820 CG TYR A 51 -2.430 -7.848 -0.821 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.458 -8.571 -1.408 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.328 -7.526 -1.591 1.00 0.00 C ATOM 823 CE1 TYR A 51 -3.387 -8.964 -2.729 1.00 0.00 C ATOM 824 CE2 TYR A 51 -1.244 -7.914 -2.916 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.277 -8.633 -3.481 1.00 0.00 C ATOM 826 OH TYR A 51 -2.202 -9.024 -4.801 1.00 0.00 O ATOM 0 H TYR A 51 -1.387 -6.903 2.730 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.016 -9.051 1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.516 -7.088 0.842 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.845 -6.563 0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.327 -8.830 -0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.519 -6.962 -1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.195 -9.527 -3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.376 -7.656 -3.504 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.358 -8.711 -5.188 1.00 0.00 H new ATOM 836 N CYS A 52 0.109 -9.180 0.930 1.00 0.00 N ATOM 837 CA CYS A 52 1.087 -10.059 0.332 1.00 0.00 C ATOM 838 C CYS A 52 1.261 -11.319 1.167 1.00 0.00 C ATOM 839 O CYS A 52 1.248 -12.412 0.648 1.00 0.00 O ATOM 840 CB CYS A 52 2.425 -9.338 0.175 1.00 0.00 C ATOM 841 SG CYS A 52 2.316 -7.788 -0.746 1.00 0.00 S ATOM 0 H CYS A 52 0.486 -8.297 1.275 1.00 0.00 H new ATOM 0 HA CYS A 52 0.728 -10.349 -0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.835 -9.134 1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.127 -10.001 -0.330 1.00 0.00 H new ATOM 0 HG CYS A 52 1.503 -6.977 -0.136 1.00 0.00 H new ATOM 847 N GLN A 53 1.385 -11.157 2.469 1.00 0.00 N ATOM 848 CA GLN A 53 1.579 -12.291 3.371 1.00 0.00 C ATOM 849 C GLN A 53 0.344 -13.188 3.408 1.00 0.00 C ATOM 850 O GLN A 53 0.449 -14.416 3.339 1.00 0.00 O ATOM 851 CB GLN A 53 1.919 -11.798 4.778 1.00 0.00 C ATOM 852 CG GLN A 53 3.201 -10.973 4.844 1.00 0.00 C ATOM 853 CD GLN A 53 3.497 -10.439 6.232 1.00 0.00 C ATOM 854 OE1 GLN A 53 4.661 -10.251 6.605 1.00 0.00 O ATOM 855 NE2 GLN A 53 2.458 -10.184 7.009 1.00 0.00 N ATOM 0 H GLN A 53 1.356 -10.250 2.934 1.00 0.00 H new ATOM 0 HA GLN A 53 2.412 -12.883 2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.091 -11.197 5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.016 -12.657 5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.038 -11.587 4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.124 -10.137 4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.512 -10.352 6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.603 -9.820 7.951 1.00 0.00 H new ATOM 864 N ARG A 54 -0.829 -12.580 3.506 1.00 0.00 N ATOM 865 CA ARG A 54 -2.091 -13.319 3.541 1.00 0.00 C ATOM 866 C ARG A 54 -2.312 -14.105 2.244 1.00 0.00 C ATOM 867 O ARG A 54 -2.827 -15.224 2.257 1.00 0.00 O ATOM 868 CB ARG A 54 -3.248 -12.352 3.785 1.00 0.00 C ATOM 869 CG ARG A 54 -4.618 -13.000 3.834 1.00 0.00 C ATOM 870 CD ARG A 54 -5.682 -11.975 4.167 1.00 0.00 C ATOM 871 NE ARG A 54 -7.027 -12.542 4.151 1.00 0.00 N ATOM 872 CZ ARG A 54 -8.014 -12.156 4.963 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.793 -11.242 5.903 1.00 0.00 N ATOM 874 NH2 ARG A 54 -9.218 -12.694 4.844 1.00 0.00 N ATOM 0 H ARG A 54 -0.937 -11.567 3.563 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.046 -14.039 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.075 -11.830 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.246 -11.599 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.841 -13.464 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.624 -13.794 4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.480 -11.553 5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.628 -11.154 3.452 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.226 -13.281 3.476 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.865 -10.831 6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.551 -10.951 6.520 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.391 -13.403 4.132 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.972 -12.399 5.464 1.00 0.00 H new ATOM 888 N GLN A 55 -1.905 -13.529 1.129 1.00 0.00 N ATOM 889 CA GLN A 55 -2.052 -14.175 -0.176 1.00 0.00 C ATOM 890 C GLN A 55 -0.831 -15.048 -0.481 1.00 0.00 C ATOM 891 O GLN A 55 -0.831 -15.860 -1.405 1.00 0.00 O ATOM 892 CB GLN A 55 -2.244 -13.108 -1.264 1.00 0.00 C ATOM 893 CG GLN A 55 -3.680 -12.597 -1.421 1.00 0.00 C ATOM 894 CD GLN A 55 -4.430 -12.431 -0.108 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.082 -13.358 0.367 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.345 -11.260 0.478 1.00 0.00 N ATOM 0 H GLN A 55 -1.466 -12.609 1.094 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.931 -14.819 -0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.595 -12.261 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.914 -13.519 -2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.658 -11.637 -1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.232 -13.289 -2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.793 -10.515 0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.830 -11.094 1.360 1.00 0.00 H new ATOM 905 N GLY A 56 0.193 -14.872 0.324 1.00 0.00 N ATOM 906 CA GLY A 56 1.430 -15.618 0.171 1.00 0.00 C ATOM 907 C GLY A 56 2.225 -15.167 -1.043 1.00 0.00 C ATOM 908 O GLY A 56 2.824 -15.976 -1.746 1.00 0.00 O ATOM 0 H GLY A 56 0.196 -14.211 1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.039 -15.497 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.203 -16.680 0.081 1.00 0.00 H new ATOM 912 N VAL A 57 2.219 -13.874 -1.295 1.00 0.00 N ATOM 913 CA VAL A 57 2.933 -13.296 -2.418 1.00 0.00 C ATOM 914 C VAL A 57 4.236 -12.670 -1.930 1.00 0.00 C ATOM 915 O VAL A 57 4.249 -11.959 -0.919 1.00 0.00 O ATOM 916 CB VAL A 57 2.097 -12.192 -3.118 1.00 0.00 C ATOM 917 CG1 VAL A 57 2.671 -11.839 -4.485 1.00 0.00 C ATOM 918 CG2 VAL A 57 0.637 -12.595 -3.226 1.00 0.00 C ATOM 0 H VAL A 57 1.718 -13.192 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 57 3.129 -14.098 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 57 2.152 -11.298 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.061 -11.063 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.692 -11.476 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.671 -12.725 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.076 -11.802 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.555 -13.514 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.230 -12.759 -2.228 1.00 0.00 H new ATOM 928 N PRO A 58 5.344 -12.940 -2.618 1.00 0.00 N ATOM 929 CA PRO A 58 6.637 -12.364 -2.271 1.00 0.00 C ATOM 930 C PRO A 58 6.662 -10.844 -2.496 1.00 0.00 C ATOM 931 O PRO A 58 6.425 -10.359 -3.610 1.00 0.00 O ATOM 932 CB PRO A 58 7.623 -13.073 -3.210 1.00 0.00 C ATOM 933 CG PRO A 58 6.792 -13.599 -4.333 1.00 0.00 C ATOM 934 CD PRO A 58 5.419 -13.839 -3.777 1.00 0.00 C ATOM 0 HA PRO A 58 6.879 -12.504 -1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.384 -12.383 -3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.144 -13.880 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.757 -12.885 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.216 -14.522 -4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.646 -13.610 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.283 -14.880 -3.484 1.00 0.00 H new ATOM 942 N MET A 59 6.967 -10.095 -1.435 1.00 0.00 N ATOM 943 CA MET A 59 6.987 -8.624 -1.478 1.00 0.00 C ATOM 944 C MET A 59 8.034 -8.110 -2.459 1.00 0.00 C ATOM 945 O MET A 59 7.947 -6.992 -2.964 1.00 0.00 O ATOM 946 CB MET A 59 7.243 -8.051 -0.071 1.00 0.00 C ATOM 947 CG MET A 59 8.606 -8.406 0.520 1.00 0.00 C ATOM 948 SD MET A 59 9.928 -7.293 -0.003 1.00 0.00 S ATOM 949 CE MET A 59 11.318 -8.022 0.857 1.00 0.00 C ATOM 0 H MET A 59 7.207 -10.485 -0.523 1.00 0.00 H new ATOM 0 HA MET A 59 6.011 -8.286 -1.826 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.151 -6.966 -0.112 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.465 -8.412 0.601 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.537 -8.390 1.608 1.00 0.00 H new ATOM 0 HG3 MET A 59 8.864 -9.425 0.232 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.220 -7.451 0.640 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.129 -8.008 1.930 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.452 -9.052 0.525 1.00 0.00 H new ATOM 959 N ASN A 60 9.020 -8.930 -2.723 1.00 0.00 N ATOM 960 CA ASN A 60 10.094 -8.576 -3.627 1.00 0.00 C ATOM 961 C ASN A 60 9.677 -8.735 -5.093 1.00 0.00 C ATOM 962 O ASN A 60 10.293 -8.164 -5.991 1.00 0.00 O ATOM 963 CB ASN A 60 11.329 -9.439 -3.333 1.00 0.00 C ATOM 964 CG ASN A 60 11.057 -10.932 -3.466 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.122 -11.494 -4.555 1.00 0.00 O ATOM 966 ND2 ASN A 60 10.772 -11.582 -2.350 1.00 0.00 N ATOM 0 H ASN A 60 9.104 -9.863 -2.319 1.00 0.00 H new ATOM 0 HA ASN A 60 10.336 -7.526 -3.465 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.132 -9.159 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.681 -9.228 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.597 -12.587 -2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.727 -11.079 -1.464 1.00 0.00 H new ATOM 973 N SER A 61 8.632 -9.509 -5.337 1.00 0.00 N ATOM 974 CA SER A 61 8.187 -9.773 -6.697 1.00 0.00 C ATOM 975 C SER A 61 7.097 -8.802 -7.147 1.00 0.00 C ATOM 976 O SER A 61 6.989 -8.479 -8.327 1.00 0.00 O ATOM 977 CB SER A 61 7.670 -11.202 -6.803 1.00 0.00 C ATOM 978 OG SER A 61 7.429 -11.568 -8.151 1.00 0.00 O ATOM 0 H SER A 61 8.077 -9.965 -4.613 1.00 0.00 H new ATOM 0 HA SER A 61 9.046 -9.634 -7.353 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.396 -11.886 -6.363 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.749 -11.301 -6.228 1.00 0.00 H new ATOM 0 HG SER A 61 7.100 -12.490 -8.186 1.00 0.00 H new ATOM 984 N LEU A 62 6.305 -8.328 -6.221 1.00 0.00 N ATOM 985 CA LEU A 62 5.185 -7.482 -6.570 1.00 0.00 C ATOM 986 C LEU A 62 5.518 -5.984 -6.378 1.00 0.00 C ATOM 987 O LEU A 62 6.559 -5.627 -5.815 1.00 0.00 O ATOM 988 CB LEU A 62 3.905 -7.966 -5.804 1.00 0.00 C ATOM 989 CG LEU A 62 3.548 -7.334 -4.451 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.762 -7.133 -3.577 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.775 -6.058 -4.656 1.00 0.00 C ATOM 0 H LEU A 62 6.411 -8.510 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 62 4.969 -7.576 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.053 -7.820 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.006 -9.040 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 62 2.906 -8.032 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.459 -6.684 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.236 -8.096 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.469 -6.474 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.529 -5.622 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.380 -5.354 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.856 -6.273 -5.201 1.00 0.00 H new ATOM 1003 N ARG A 63 4.647 -5.121 -6.865 1.00 0.00 N ATOM 1004 CA ARG A 63 4.846 -3.685 -6.780 1.00 0.00 C ATOM 1005 C ARG A 63 3.533 -2.981 -6.435 1.00 0.00 C ATOM 1006 O ARG A 63 2.490 -3.247 -7.038 1.00 0.00 O ATOM 1007 CB ARG A 63 5.406 -3.136 -8.096 1.00 0.00 C ATOM 1008 CG ARG A 63 4.503 -3.378 -9.290 1.00 0.00 C ATOM 1009 CD ARG A 63 4.978 -2.630 -10.516 1.00 0.00 C ATOM 1010 NE ARG A 63 6.219 -3.179 -11.067 1.00 0.00 N ATOM 1011 CZ ARG A 63 6.897 -2.630 -12.082 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.485 -1.486 -12.621 1.00 0.00 N ATOM 1013 NH2 ARG A 63 7.981 -3.223 -12.558 1.00 0.00 N ATOM 0 H ARG A 63 3.782 -5.394 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 63 5.568 -3.490 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.574 -2.064 -7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.377 -3.594 -8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.466 -4.445 -9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.487 -3.067 -9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.201 -2.662 -11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.131 -1.582 -10.260 1.00 0.00 H new ATOM 0 HE ARG A 63 6.590 -4.033 -10.651 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.650 -1.024 -12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.004 -1.070 -13.394 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.302 -4.101 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.495 -2.801 -13.332 1.00 0.00 H new ATOM 1027 N PHE A 64 3.577 -2.102 -5.452 1.00 0.00 N ATOM 1028 CA PHE A 64 2.398 -1.343 -5.052 1.00 0.00 C ATOM 1029 C PHE A 64 2.573 0.108 -5.417 1.00 0.00 C ATOM 1030 O PHE A 64 3.422 0.792 -4.860 1.00 0.00 O ATOM 1031 CB PHE A 64 2.147 -1.447 -3.541 1.00 0.00 C ATOM 1032 CG PHE A 64 3.103 -2.343 -2.801 1.00 0.00 C ATOM 1033 CD1 PHE A 64 4.357 -1.887 -2.424 1.00 0.00 C ATOM 1034 CD2 PHE A 64 2.741 -3.634 -2.475 1.00 0.00 C ATOM 1035 CE1 PHE A 64 5.228 -2.712 -1.739 1.00 0.00 C ATOM 1036 CE2 PHE A 64 3.605 -4.461 -1.791 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.852 -4.000 -1.422 1.00 0.00 C ATOM 0 H PHE A 64 4.417 -1.893 -4.912 1.00 0.00 H new ATOM 0 HA PHE A 64 1.542 -1.765 -5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.200 -0.448 -3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.132 -1.811 -3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.655 -0.878 -2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.766 -4.002 -2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.203 -2.348 -1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.306 -5.469 -1.544 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.532 -4.646 -0.886 1.00 0.00 H new ATOM 1047 N LEU A 65 1.782 0.587 -6.344 1.00 0.00 N ATOM 1048 CA LEU A 65 1.906 1.960 -6.774 1.00 0.00 C ATOM 1049 C LEU A 65 0.576 2.701 -6.853 1.00 0.00 C ATOM 1050 O LEU A 65 -0.495 2.109 -6.971 1.00 0.00 O ATOM 1051 CB LEU A 65 2.680 2.045 -8.105 1.00 0.00 C ATOM 1052 CG LEU A 65 2.315 1.015 -9.183 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.905 1.231 -9.696 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.311 1.075 -10.323 1.00 0.00 C ATOM 0 H LEU A 65 1.050 0.053 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 65 2.478 2.473 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.531 3.041 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.743 1.947 -7.887 1.00 0.00 H new ATOM 0 HG LEU A 65 2.356 0.024 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.677 0.486 -10.458 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.199 1.134 -8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.824 2.228 -10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.041 0.340 -11.081 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.300 2.072 -10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.310 0.857 -9.945 1.00 0.00 H new ATOM 1066 N PHE A 66 0.665 4.004 -6.754 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.466 4.886 -6.890 1.00 0.00 C ATOM 1068 C PHE A 66 -0.036 6.087 -7.692 1.00 0.00 C ATOM 1069 O PHE A 66 0.920 6.763 -7.334 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.004 5.321 -5.524 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.070 6.372 -5.621 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.305 6.066 -6.152 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.831 7.669 -5.191 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.285 7.025 -6.255 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.810 8.633 -5.291 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.041 8.311 -5.823 1.00 0.00 C ATOM 0 H PHE A 66 1.543 4.490 -6.573 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.273 4.360 -7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.405 4.451 -5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.180 5.701 -4.920 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.505 5.060 -6.491 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.868 7.925 -4.774 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.247 6.770 -6.675 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.614 9.640 -4.953 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.811 9.064 -5.901 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.720 6.344 -8.793 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.369 7.428 -9.710 1.00 0.00 C ATOM 1088 C GLU A 67 1.065 7.277 -10.235 1.00 0.00 C ATOM 1089 O GLU A 67 1.694 8.247 -10.664 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.547 8.801 -9.052 1.00 0.00 C ATOM 1091 CG GLU A 67 -1.993 9.177 -8.791 1.00 0.00 C ATOM 1092 CD GLU A 67 -2.148 10.639 -8.439 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -1.804 11.491 -9.280 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -2.603 10.946 -7.325 1.00 0.00 O ATOM 0 H GLU A 67 -1.538 5.808 -9.082 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.054 7.362 -10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.003 8.813 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.094 9.560 -9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.590 8.952 -9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.385 8.566 -7.978 1.00 0.00 H new ATOM 1101 N GLY A 68 1.576 6.051 -10.214 1.00 0.00 N ATOM 1102 CA GLY A 68 2.887 5.774 -10.757 1.00 0.00 C ATOM 1103 C GLY A 68 3.989 5.794 -9.714 1.00 0.00 C ATOM 1104 O GLY A 68 5.165 5.634 -10.043 1.00 0.00 O ATOM 0 H GLY A 68 1.097 5.238 -9.826 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.873 4.797 -11.241 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.115 6.509 -11.529 1.00 0.00 H new ATOM 1108 N GLN A 69 3.626 5.979 -8.455 1.00 0.00 N ATOM 1109 CA GLN A 69 4.610 6.022 -7.384 1.00 0.00 C ATOM 1110 C GLN A 69 4.410 4.848 -6.448 1.00 0.00 C ATOM 1111 O GLN A 69 3.279 4.494 -6.119 1.00 0.00 O ATOM 1112 CB GLN A 69 4.501 7.346 -6.623 1.00 0.00 C ATOM 1113 CG GLN A 69 3.286 7.463 -5.723 1.00 0.00 C ATOM 1114 CD GLN A 69 2.986 8.900 -5.356 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.890 9.726 -5.238 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.715 9.216 -5.205 1.00 0.00 N ATOM 0 H GLN A 69 2.661 6.102 -8.150 1.00 0.00 H new ATOM 0 HA GLN A 69 5.609 5.954 -7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.398 7.476 -6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.482 8.163 -7.344 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.421 7.029 -6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.451 6.884 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.996 8.501 -5.311 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.451 10.176 -4.982 1.00 0.00 H new ATOM 1125 N ARG A 70 5.493 4.236 -6.010 1.00 0.00 N ATOM 1126 CA ARG A 70 5.389 3.081 -5.141 1.00 0.00 C ATOM 1127 C ARG A 70 5.044 3.495 -3.728 1.00 0.00 C ATOM 1128 O ARG A 70 5.482 4.546 -3.239 1.00 0.00 O ATOM 1129 CB ARG A 70 6.672 2.242 -5.149 1.00 0.00 C ATOM 1130 CG ARG A 70 6.935 1.525 -6.461 1.00 0.00 C ATOM 1131 CD ARG A 70 8.103 0.557 -6.345 1.00 0.00 C ATOM 1132 NE ARG A 70 8.412 -0.070 -7.630 1.00 0.00 N ATOM 1133 CZ ARG A 70 8.796 -1.334 -7.797 1.00 0.00 C ATOM 1134 NH1 ARG A 70 8.925 -2.143 -6.755 1.00 0.00 N ATOM 1135 NH2 ARG A 70 9.048 -1.788 -9.020 1.00 0.00 N ATOM 0 H ARG A 70 6.447 4.516 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 70 4.582 2.461 -5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.519 2.891 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.616 1.504 -4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.040 0.982 -6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.144 2.257 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.981 1.088 -5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.866 -0.213 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 70 8.326 0.508 -8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.730 -1.799 -5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.220 -3.110 -6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.947 -1.169 -9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.343 -2.755 -9.154 1.00 0.00 H new ATOM 1149 N ILE A 71 4.238 2.699 -3.069 1.00 0.00 N ATOM 1150 CA ILE A 71 3.853 2.982 -1.713 1.00 0.00 C ATOM 1151 C ILE A 71 4.939 2.504 -0.757 1.00 0.00 C ATOM 1152 O ILE A 71 5.046 1.318 -0.447 1.00 0.00 O ATOM 1153 CB ILE A 71 2.501 2.330 -1.343 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.515 2.399 -2.526 1.00 0.00 C ATOM 1155 CG2 ILE A 71 1.910 3.037 -0.137 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.175 3.809 -2.977 1.00 0.00 C ATOM 0 H ILE A 71 3.835 1.845 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 71 3.730 4.061 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 71 2.675 1.281 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.939 1.853 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.594 1.888 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.957 2.577 0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.596 2.953 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.752 4.089 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.476 3.765 -3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.719 4.355 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.085 4.320 -3.292 1.00 0.00 H new ATOM 1168 N ALA A 72 5.757 3.443 -0.312 1.00 0.00 N ATOM 1169 CA ALA A 72 6.882 3.171 0.565 1.00 0.00 C ATOM 1170 C ALA A 72 6.442 2.804 1.978 1.00 0.00 C ATOM 1171 O ALA A 72 5.253 2.830 2.308 1.00 0.00 O ATOM 1172 CB ALA A 72 7.782 4.384 0.607 1.00 0.00 C ATOM 0 H ALA A 72 5.656 4.429 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 72 7.418 2.312 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.629 4.186 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.145 4.603 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.222 5.240 0.985 1.00 0.00 H new ATOM 1178 N ASP A 73 7.421 2.514 2.830 1.00 0.00 N ATOM 1179 CA ASP A 73 7.167 2.116 4.214 1.00 0.00 C ATOM 1180 C ASP A 73 6.725 3.303 5.037 1.00 0.00 C ATOM 1181 O ASP A 73 6.144 3.156 6.112 1.00 0.00 O ATOM 1182 CB ASP A 73 8.405 1.471 4.850 1.00 0.00 C ATOM 1183 CG ASP A 73 9.430 2.484 5.323 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.250 2.934 4.496 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.425 2.825 6.528 1.00 0.00 O ATOM 0 H ASP A 73 8.410 2.548 2.583 1.00 0.00 H new ATOM 0 HA ASP A 73 6.367 1.375 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.093 0.857 5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.871 0.803 4.126 1.00 0.00 H new ATOM 1190 N ASN A 74 6.987 4.484 4.530 1.00 0.00 N ATOM 1191 CA ASN A 74 6.679 5.711 5.225 1.00 0.00 C ATOM 1192 C ASN A 74 5.592 6.461 4.469 1.00 0.00 C ATOM 1193 O ASN A 74 5.249 7.595 4.805 1.00 0.00 O ATOM 1194 CB ASN A 74 7.936 6.588 5.330 1.00 0.00 C ATOM 1195 CG ASN A 74 8.485 6.994 3.966 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.321 6.280 2.978 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.135 8.133 3.901 1.00 0.00 N ATOM 0 H ASN A 74 7.423 4.622 3.618 1.00 0.00 H new ATOM 0 HA ASN A 74 6.329 5.475 6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.702 7.484 5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.706 6.048 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.522 8.449 3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.253 8.701 4.740 1.00 0.00 H new ATOM 1204 N HIS A 75 5.036 5.828 3.436 1.00 0.00 N ATOM 1205 CA HIS A 75 4.010 6.474 2.644 1.00 0.00 C ATOM 1206 C HIS A 75 2.644 6.299 3.267 1.00 0.00 C ATOM 1207 O HIS A 75 2.289 5.219 3.746 1.00 0.00 O ATOM 1208 CB HIS A 75 4.007 5.966 1.206 1.00 0.00 C ATOM 1209 CG HIS A 75 4.769 6.846 0.264 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.932 6.559 -1.075 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.393 8.033 0.467 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.615 7.528 -1.646 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.908 8.431 -0.734 1.00 0.00 N ATOM 0 H HIS A 75 5.279 4.883 3.138 1.00 0.00 H new ATOM 0 HA HIS A 75 4.245 7.538 2.625 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.434 4.964 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.977 5.882 0.860 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.469 8.565 1.404 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.890 7.575 -2.689 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.434 9.289 -0.898 1.00 0.00 H new ATOM 1222 N THR A 76 1.876 7.364 3.253 1.00 0.00 N ATOM 1223 CA THR A 76 0.556 7.382 3.844 1.00 0.00 C ATOM 1224 C THR A 76 -0.420 8.065 2.897 1.00 0.00 C ATOM 1225 O THR A 76 0.008 8.704 1.928 1.00 0.00 O ATOM 1226 CB THR A 76 0.604 8.191 5.154 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.008 9.526 4.864 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.604 7.597 6.103 1.00 0.00 C ATOM 0 H THR A 76 2.151 8.250 2.828 1.00 0.00 H new ATOM 0 HA THR A 76 0.234 6.358 4.036 1.00 0.00 H new ATOM 0 HB THR A 76 -0.386 8.174 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.779 9.763 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.624 8.181 7.023 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.322 6.569 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.593 7.608 5.644 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.743 7.949 3.143 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.744 8.648 2.341 1.00 0.00 C ATOM 1238 C PRO A 77 -2.529 10.157 2.375 1.00 0.00 C ATOM 1239 O PRO A 77 -2.758 10.852 1.387 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.083 8.278 3.001 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.725 7.718 4.336 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.368 7.108 4.182 1.00 0.00 C ATOM 0 HA PRO A 77 -2.697 8.364 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.726 9.152 3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.628 7.548 2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.717 8.499 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.454 6.972 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.805 7.134 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.427 6.064 3.875 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.059 10.660 3.512 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.803 12.081 3.675 1.00 0.00 C ATOM 1252 C LYS A 78 -0.526 12.477 2.931 1.00 0.00 C ATOM 1253 O LYS A 78 -0.396 13.590 2.436 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.692 12.429 5.178 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.381 12.000 5.839 1.00 0.00 C ATOM 1256 CD LYS A 78 0.643 13.120 5.852 1.00 0.00 C ATOM 1257 CE LYS A 78 2.005 12.619 6.291 1.00 0.00 C ATOM 1258 NZ LYS A 78 3.016 13.704 6.307 1.00 0.00 N ATOM 0 H LYS A 78 -1.848 10.098 4.337 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.634 12.644 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.807 13.506 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.521 11.959 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.579 11.678 6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.028 11.141 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.718 13.558 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.311 13.911 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.927 12.181 7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.334 11.826 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.829 13.429 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.595 14.577 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.334 13.868 7.284 1.00 0.00 H new ATOM 1272 N GLU A 79 0.413 11.542 2.840 1.00 0.00 N ATOM 1273 CA GLU A 79 1.688 11.791 2.189 1.00 0.00 C ATOM 1274 C GLU A 79 1.503 11.805 0.686 1.00 0.00 C ATOM 1275 O GLU A 79 2.066 12.629 -0.029 1.00 0.00 O ATOM 1276 CB GLU A 79 2.680 10.695 2.558 1.00 0.00 C ATOM 1277 CG GLU A 79 4.132 11.101 2.425 1.00 0.00 C ATOM 1278 CD GLU A 79 4.503 12.234 3.352 1.00 0.00 C ATOM 1279 OE1 GLU A 79 4.629 11.994 4.565 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.680 13.366 2.877 1.00 0.00 O ATOM 0 H GLU A 79 0.311 10.598 3.213 1.00 0.00 H new ATOM 0 HA GLU A 79 2.070 12.757 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.494 10.384 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.498 9.827 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.767 10.241 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.330 11.399 1.395 1.00 0.00 H new ATOM 1287 N LEU A 80 0.706 10.873 0.212 1.00 0.00 N ATOM 1288 CA LEU A 80 0.443 10.715 -1.201 1.00 0.00 C ATOM 1289 C LEU A 80 -0.658 11.653 -1.685 1.00 0.00 C ATOM 1290 O LEU A 80 -0.912 11.755 -2.885 1.00 0.00 O ATOM 1291 CB LEU A 80 0.074 9.265 -1.475 1.00 0.00 C ATOM 1292 CG LEU A 80 1.152 8.253 -1.098 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.589 6.856 -1.072 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.313 8.335 -2.066 1.00 0.00 C ATOM 0 H LEU A 80 0.218 10.198 0.801 1.00 0.00 H new ATOM 0 HA LEU A 80 1.345 10.979 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.838 9.026 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.153 9.156 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 80 1.512 8.495 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.376 6.152 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.215 6.802 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.199 6.602 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.074 7.607 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.961 8.120 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.741 9.337 -2.037 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.333 12.323 -0.760 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.368 13.270 -1.144 1.00 0.00 C ATOM 1308 C GLY A 81 -3.612 12.584 -1.671 1.00 0.00 C ATOM 1309 O GLY A 81 -4.276 13.084 -2.583 1.00 0.00 O ATOM 0 H GLY A 81 -1.185 12.230 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.632 13.884 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.976 13.942 -1.907 1.00 0.00 H new ATOM 1313 N MET A 82 -3.937 11.441 -1.100 1.00 0.00 N ATOM 1314 CA MET A 82 -5.098 10.676 -1.522 1.00 0.00 C ATOM 1315 C MET A 82 -6.335 11.080 -0.736 1.00 0.00 C ATOM 1316 O MET A 82 -6.261 11.861 0.217 1.00 0.00 O ATOM 1317 CB MET A 82 -4.843 9.179 -1.360 1.00 0.00 C ATOM 1318 CG MET A 82 -3.696 8.673 -2.203 1.00 0.00 C ATOM 1319 SD MET A 82 -3.512 6.883 -2.150 1.00 0.00 S ATOM 1320 CE MET A 82 -3.129 6.629 -0.433 1.00 0.00 C ATOM 0 H MET A 82 -3.410 11.017 -0.336 1.00 0.00 H new ATOM 0 HA MET A 82 -5.274 10.893 -2.576 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.636 8.964 -0.312 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.748 8.633 -1.625 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.847 8.986 -3.236 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.771 9.137 -1.862 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.831 5.592 -0.276 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.313 7.289 -0.141 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.008 6.849 0.172 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.471 10.532 -1.124 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.737 10.829 -0.477 1.00 0.00 C ATOM 1332 C GLU A 83 -9.464 9.539 -0.147 1.00 0.00 C ATOM 1333 O GLU A 83 -8.977 8.450 -0.450 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.598 11.713 -1.377 1.00 0.00 C ATOM 1335 CG GLU A 83 -8.978 13.070 -1.662 1.00 0.00 C ATOM 1336 CD GLU A 83 -9.802 13.897 -2.611 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -10.778 14.525 -2.164 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -9.469 13.934 -3.811 1.00 0.00 O ATOM 0 H GLU A 83 -7.543 9.869 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.543 11.369 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.773 11.196 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.571 11.858 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.856 13.613 -0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.982 12.929 -2.081 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.624 9.641 0.479 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.375 8.457 0.838 1.00 0.00 C ATOM 1347 C GLU A 84 -12.006 7.802 -0.381 1.00 0.00 C ATOM 1348 O GLU A 84 -12.331 8.470 -1.362 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.409 8.745 1.950 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.196 10.048 1.800 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.255 9.994 0.723 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.234 9.232 0.883 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.134 10.730 -0.274 1.00 0.00 O ATOM 0 H GLU A 84 -11.060 10.523 0.746 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.667 7.738 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.116 7.917 1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.890 8.764 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.670 10.288 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.502 10.858 1.576 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.117 6.474 -0.328 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.681 5.667 -1.411 1.00 0.00 C ATOM 1362 C GLU A 85 -11.725 5.584 -2.593 1.00 0.00 C ATOM 1363 O GLU A 85 -12.103 5.173 -3.689 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.051 6.195 -1.846 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.214 5.549 -1.125 1.00 0.00 C ATOM 1366 CD GLU A 85 -15.451 4.128 -1.585 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.137 3.940 -2.615 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -14.964 3.191 -0.925 1.00 0.00 O ATOM 0 H GLU A 85 -11.815 5.923 0.476 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.823 4.657 -1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.085 7.271 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.167 6.036 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.023 5.555 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.116 6.138 -1.292 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.484 5.991 -2.379 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.477 5.906 -3.424 1.00 0.00 C ATOM 1377 C ASP A 86 -9.007 4.466 -3.610 1.00 0.00 C ATOM 1378 O ASP A 86 -9.296 3.584 -2.783 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.288 6.814 -3.133 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.752 7.462 -4.390 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.504 6.740 -5.383 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.611 8.701 -4.403 1.00 0.00 O ATOM 0 H ASP A 86 -10.151 6.381 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.942 6.246 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.586 7.587 -2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.497 6.235 -2.657 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.258 4.230 -4.672 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.811 2.894 -5.012 1.00 0.00 C ATOM 1389 C VAL A 87 -6.334 2.890 -5.380 1.00 0.00 C ATOM 1390 O VAL A 87 -5.861 3.717 -6.163 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.647 2.283 -6.181 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.121 2.209 -5.810 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.473 3.086 -7.466 1.00 0.00 C ATOM 0 H VAL A 87 -7.945 4.954 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.959 2.276 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.276 1.273 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.684 1.780 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.243 1.582 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.494 3.211 -5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.068 2.635 -8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.805 4.111 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.422 3.087 -7.755 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.595 1.974 -4.795 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.187 1.826 -5.094 1.00 0.00 C ATOM 1405 C ILE A 88 -4.004 0.634 -6.006 1.00 0.00 C ATOM 1406 O ILE A 88 -4.677 -0.386 -5.843 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.318 1.643 -3.800 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.170 2.966 -3.029 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.939 1.080 -4.138 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.450 3.486 -2.426 1.00 0.00 C ATOM 0 H ILE A 88 -5.950 1.314 -4.103 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.847 2.740 -5.581 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.840 0.930 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.438 2.828 -2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.768 3.722 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.359 0.964 -3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.051 0.110 -4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.422 1.764 -4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.252 4.421 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.180 3.661 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.845 2.753 -1.723 1.00 0.00 H new ATOM 1422 N GLU A 89 -3.078 0.732 -6.929 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.871 -0.310 -7.904 1.00 0.00 C ATOM 1424 C GLU A 89 -1.703 -1.200 -7.476 1.00 0.00 C ATOM 1425 O GLU A 89 -0.672 -0.717 -6.989 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.587 0.307 -9.274 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.458 -0.707 -10.391 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.776 -1.029 -11.059 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.688 -1.537 -10.386 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.896 -0.776 -12.281 1.00 0.00 O ATOM 0 H GLU A 89 -2.451 1.531 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.773 -0.919 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.388 1.004 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.666 0.887 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.762 -0.327 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.027 -1.625 -9.992 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.866 -2.485 -7.625 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.836 -3.432 -7.269 1.00 0.00 C ATOM 1439 C VAL A 90 -0.591 -4.417 -8.398 1.00 0.00 C ATOM 1440 O VAL A 90 -1.527 -4.989 -8.969 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.186 -4.196 -5.956 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.446 -5.530 -5.877 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.856 -3.342 -4.741 1.00 0.00 C ATOM 0 H VAL A 90 -2.716 -2.910 -7.997 1.00 0.00 H new ATOM 0 HA VAL A 90 0.078 -2.864 -7.095 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.256 -4.402 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.711 -6.039 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.727 -6.153 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.629 -5.352 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.106 -3.890 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.208 -3.105 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.433 -2.418 -4.778 1.00 0.00 H new ATOM 1453 N TYR A 91 0.663 -4.616 -8.731 1.00 0.00 N ATOM 1454 CA TYR A 91 1.027 -5.553 -9.754 1.00 0.00 C ATOM 1455 C TYR A 91 1.959 -6.581 -9.188 1.00 0.00 C ATOM 1456 O TYR A 91 2.680 -6.315 -8.239 1.00 0.00 O ATOM 1457 CB TYR A 91 1.699 -4.866 -10.939 1.00 0.00 C ATOM 1458 CG TYR A 91 0.848 -3.835 -11.627 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -0.258 -4.208 -12.377 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.153 -2.489 -11.532 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -1.036 -3.266 -13.015 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.385 -1.543 -12.166 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.709 -1.934 -12.906 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.482 -0.982 -13.537 1.00 0.00 O ATOM 0 H TYR A 91 1.451 -4.133 -8.300 1.00 0.00 H new ATOM 0 HA TYR A 91 0.112 -6.026 -10.110 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.617 -4.390 -10.594 1.00 0.00 H new ATOM 0 HB3 TYR A 91 1.988 -5.625 -11.667 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.514 -5.254 -12.462 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.008 -2.177 -10.950 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.894 -3.571 -13.595 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.638 -0.496 -12.085 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.376 -0.967 -13.135 1.00 0.00 H new ATOM 1474 N GLN A 92 1.944 -7.750 -9.748 1.00 0.00 N ATOM 1475 CA GLN A 92 2.821 -8.801 -9.313 1.00 0.00 C ATOM 1476 C GLN A 92 3.642 -9.317 -10.491 1.00 0.00 C ATOM 1477 O GLN A 92 3.113 -9.911 -11.428 1.00 0.00 O ATOM 1478 CB GLN A 92 2.023 -9.916 -8.608 1.00 0.00 C ATOM 1479 CG GLN A 92 0.881 -10.507 -9.433 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.080 -11.346 -8.603 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.644 -12.326 -9.088 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.309 -10.944 -7.356 1.00 0.00 N ATOM 0 H GLN A 92 1.326 -8.006 -10.518 1.00 0.00 H new ATOM 0 HA GLN A 92 3.523 -8.409 -8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.709 -10.718 -8.336 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.614 -9.519 -7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 92 0.329 -9.698 -9.911 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.297 -11.123 -10.230 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.177 -10.127 -6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.970 -11.453 -6.769 1.00 0.00 H new