USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 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 Set 1.1: A 59 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 ASN : amide:sc= -0.185 X(o=-0.97,f=-0.91) USER MOD Set 1.3: A 61 SER OG : rot -130:sc= -0.78 USER MOD Set 2.1: A 46 LYS NZ :NH3+ -167:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 50 SER OG : rot 75:sc= 2.27 USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.13) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0.954 (180deg=0.514) USER MOD Single : A 29 GLN : amide:sc= -4.12! C(o=-4.1!,f=-14!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0.522 K(o=0.52,f=-5.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -142:sc= -1.89! (180deg=-4.18!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -150:sc= -0.0693 USER MOD Single : A 43 HIS : no HE2:sc= -0.876 K(o=-0.88,f=-2.8!) USER MOD Single : A 45 LYS NZ :NH3+ -143:sc= 1.15 (180deg=-1.1!) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= -0.833 (180deg=-3.17!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 67:sc= 0.5 USER MOD Single : A 53 GLN : amide:sc= 1.09 K(o=1.1,f=-0.84) USER MOD Single : A 55 GLN : amide:sc= 0.281 K(o=0.28,f=-5.6!) USER MOD Single : A 69 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.4) USER MOD Single : A 74 ASN : amide:sc= -0.668 K(o=-0.67,f=-5!) USER MOD Single : A 75 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-7.4!) USER MOD Single : A 76 THR OG1 : rot -130:sc= -2.68! USER MOD Single : A 78 LYS NZ :NH3+ -138:sc= 1.09 (180deg=-0.193) USER MOD Single : A 82 MET CE :methyl -179:sc= -4.94! (180deg=-5.03!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.873 K(o=-0.87,f=-0.0045) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -10.091 7.608 7.206 1.00 0.00 N ATOM 312 CA ILE A 22 -10.271 7.447 5.788 1.00 0.00 C ATOM 313 C ILE A 22 -10.225 5.973 5.431 1.00 0.00 C ATOM 314 O ILE A 22 -9.539 5.192 6.057 1.00 0.00 O ATOM 315 CB ILE A 22 -9.189 8.253 4.987 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.904 7.625 3.619 1.00 0.00 C ATOM 317 CG2 ILE A 22 -7.904 8.379 5.792 1.00 0.00 C ATOM 318 CD1 ILE A 22 -8.000 8.462 2.739 1.00 0.00 C ATOM 0 HA ILE A 22 -11.247 7.846 5.511 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.593 9.250 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.447 6.647 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.849 7.461 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.168 8.941 5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.110 8.901 6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.512 7.385 6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.844 7.952 1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.464 9.432 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.040 8.605 3.235 1.00 0.00 H new ATOM 330 N LYS A 23 -10.995 5.585 4.467 1.00 0.00 N ATOM 331 CA LYS A 23 -11.005 4.217 4.013 1.00 0.00 C ATOM 332 C LYS A 23 -10.266 4.126 2.690 1.00 0.00 C ATOM 333 O LYS A 23 -10.198 5.095 1.957 1.00 0.00 O ATOM 334 CB LYS A 23 -12.447 3.736 3.875 1.00 0.00 C ATOM 335 CG LYS A 23 -13.318 4.690 3.084 1.00 0.00 C ATOM 336 CD LYS A 23 -14.760 4.244 3.049 1.00 0.00 C ATOM 337 CE LYS A 23 -15.604 5.244 2.292 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.950 4.716 1.963 1.00 0.00 N ATOM 0 H LYS A 23 -11.637 6.200 3.967 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.501 3.576 4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.453 2.760 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.875 3.601 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.257 5.685 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.938 4.768 2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.833 3.265 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.138 4.135 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.708 6.151 2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.092 5.524 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.632 5.501 1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.920 4.241 1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.244 4.035 2.692 1.00 0.00 H new ATOM 352 N LEU A 24 -9.678 2.990 2.400 1.00 0.00 N ATOM 353 CA LEU A 24 -8.955 2.799 1.134 1.00 0.00 C ATOM 354 C LEU A 24 -9.158 1.396 0.584 1.00 0.00 C ATOM 355 O LEU A 24 -9.469 0.463 1.329 1.00 0.00 O ATOM 356 CB LEU A 24 -7.453 3.051 1.321 1.00 0.00 C ATOM 357 CG LEU A 24 -7.031 4.500 1.562 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.551 4.570 1.866 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.360 5.362 0.352 1.00 0.00 C ATOM 0 H LEU A 24 -9.678 2.175 3.014 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.360 3.519 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.108 2.450 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.933 2.687 0.435 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.585 4.882 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.263 5.608 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.335 3.983 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.987 4.170 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.052 6.390 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.830 4.981 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.434 5.334 0.166 1.00 0.00 H new ATOM 371 N LYS A 25 -8.989 1.240 -0.725 1.00 0.00 N ATOM 372 CA LYS A 25 -9.088 -0.054 -1.351 1.00 0.00 C ATOM 373 C LYS A 25 -7.882 -0.313 -2.225 1.00 0.00 C ATOM 374 O LYS A 25 -7.469 0.530 -3.022 1.00 0.00 O ATOM 375 CB LYS A 25 -10.410 -0.189 -2.144 1.00 0.00 C ATOM 376 CG LYS A 25 -10.456 -1.338 -3.177 1.00 0.00 C ATOM 377 CD LYS A 25 -9.962 -0.888 -4.549 1.00 0.00 C ATOM 378 CE LYS A 25 -10.451 -1.797 -5.665 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.931 -1.814 -5.780 1.00 0.00 N ATOM 0 H LYS A 25 -8.782 2.004 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.102 -0.815 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.225 -0.330 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.598 0.750 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.844 -2.168 -2.825 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.477 -1.709 -3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.301 0.131 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.872 -0.867 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.020 -1.469 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.092 -2.811 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.205 -2.278 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.336 -2.337 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.291 -0.838 -5.774 1.00 0.00 H new ATOM 393 N VAL A 26 -7.296 -1.460 -2.054 1.00 0.00 N ATOM 394 CA VAL A 26 -6.174 -1.864 -2.854 1.00 0.00 C ATOM 395 C VAL A 26 -6.655 -2.812 -3.935 1.00 0.00 C ATOM 396 O VAL A 26 -7.458 -3.712 -3.675 1.00 0.00 O ATOM 397 CB VAL A 26 -5.079 -2.540 -1.993 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.960 -3.084 -2.864 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.523 -1.558 -0.979 1.00 0.00 C ATOM 0 H VAL A 26 -7.582 -2.145 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.730 -0.978 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.535 -3.376 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.204 -3.553 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.364 -3.822 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.507 -2.268 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.754 -2.048 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.089 -0.704 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.326 -1.215 -0.327 1.00 0.00 H new ATOM 409 N ILE A 27 -6.198 -2.598 -5.145 1.00 0.00 N ATOM 410 CA ILE A 27 -6.591 -3.419 -6.260 1.00 0.00 C ATOM 411 C ILE A 27 -5.352 -3.977 -6.951 1.00 0.00 C ATOM 412 O ILE A 27 -4.273 -3.406 -6.863 1.00 0.00 O ATOM 413 CB ILE A 27 -7.458 -2.615 -7.277 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.144 -3.559 -8.268 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.618 -1.574 -8.014 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.010 -2.857 -9.292 1.00 0.00 C ATOM 0 H ILE A 27 -5.545 -1.851 -5.382 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.197 -4.242 -5.882 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.229 -2.087 -6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.382 -4.138 -8.789 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.759 -4.267 -7.713 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.248 -1.029 -8.716 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.189 -0.877 -7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.816 -2.073 -8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.460 -3.595 -9.956 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.797 -2.300 -8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.398 -2.169 -9.876 1.00 0.00 H new ATOM 428 N GLY A 28 -5.497 -5.110 -7.596 1.00 0.00 N ATOM 429 CA GLY A 28 -4.392 -5.696 -8.317 1.00 0.00 C ATOM 430 C GLY A 28 -4.760 -5.940 -9.755 1.00 0.00 C ATOM 431 O GLY A 28 -5.930 -5.814 -10.126 1.00 0.00 O ATOM 0 H GLY A 28 -6.366 -5.643 -7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.527 -5.035 -8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.103 -6.636 -7.847 1.00 0.00 H new ATOM 435 N GLN A 29 -3.785 -6.318 -10.587 1.00 0.00 N ATOM 436 CA GLN A 29 -4.058 -6.584 -12.008 1.00 0.00 C ATOM 437 C GLN A 29 -4.954 -7.805 -12.181 1.00 0.00 C ATOM 438 O GLN A 29 -5.416 -8.101 -13.281 1.00 0.00 O ATOM 439 CB GLN A 29 -2.770 -6.776 -12.822 1.00 0.00 C ATOM 440 CG GLN A 29 -2.034 -8.086 -12.555 1.00 0.00 C ATOM 441 CD GLN A 29 -1.085 -7.997 -11.391 1.00 0.00 C ATOM 442 OE1 GLN A 29 0.063 -7.635 -11.557 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.539 -8.366 -10.215 1.00 0.00 N ATOM 0 H GLN A 29 -2.812 -6.446 -10.309 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.574 -5.703 -12.389 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.016 -6.723 -13.883 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.095 -5.947 -12.609 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.763 -8.874 -12.364 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.480 -8.374 -13.448 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.509 -8.664 -10.113 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.921 -8.354 -9.403 1.00 0.00 H new ATOM 452 N ASP A 30 -5.207 -8.514 -11.093 1.00 0.00 N ATOM 453 CA ASP A 30 -6.064 -9.689 -11.131 1.00 0.00 C ATOM 454 C ASP A 30 -7.502 -9.298 -10.861 1.00 0.00 C ATOM 455 O ASP A 30 -8.378 -10.152 -10.712 1.00 0.00 O ATOM 456 CB ASP A 30 -5.609 -10.712 -10.102 1.00 0.00 C ATOM 457 CG ASP A 30 -4.235 -11.236 -10.393 1.00 0.00 C ATOM 458 OD1 ASP A 30 -3.253 -10.606 -9.953 1.00 0.00 O ATOM 459 OD2 ASP A 30 -4.126 -12.277 -11.082 1.00 0.00 O ATOM 0 H ASP A 30 -4.830 -8.296 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.995 -10.132 -12.124 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.620 -10.258 -9.111 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.315 -11.542 -10.080 1.00 0.00 H new ATOM 464 N SER A 31 -7.745 -7.982 -10.793 1.00 0.00 N ATOM 465 CA SER A 31 -9.067 -7.430 -10.507 1.00 0.00 C ATOM 466 C SER A 31 -9.490 -7.757 -9.078 1.00 0.00 C ATOM 467 O SER A 31 -10.670 -7.692 -8.719 1.00 0.00 O ATOM 468 CB SER A 31 -10.095 -7.933 -11.522 1.00 0.00 C ATOM 469 OG SER A 31 -9.699 -7.586 -12.845 1.00 0.00 O ATOM 0 H SER A 31 -7.026 -7.273 -10.936 1.00 0.00 H new ATOM 0 HA SER A 31 -9.015 -6.345 -10.598 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.198 -9.015 -11.439 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.072 -7.502 -11.303 1.00 0.00 H new ATOM 0 HG SER A 31 -10.366 -7.916 -13.483 1.00 0.00 H new ATOM 475 N SER A 32 -8.512 -8.086 -8.254 1.00 0.00 N ATOM 476 CA SER A 32 -8.745 -8.387 -6.867 1.00 0.00 C ATOM 477 C SER A 32 -8.788 -7.090 -6.077 1.00 0.00 C ATOM 478 O SER A 32 -8.070 -6.140 -6.397 1.00 0.00 O ATOM 479 CB SER A 32 -7.636 -9.303 -6.348 1.00 0.00 C ATOM 480 OG SER A 32 -7.553 -10.487 -7.132 1.00 0.00 O ATOM 0 H SER A 32 -7.534 -8.150 -8.536 1.00 0.00 H new ATOM 0 HA SER A 32 -9.699 -8.902 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.682 -8.777 -6.373 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.830 -9.563 -5.307 1.00 0.00 H new ATOM 0 HG SER A 32 -6.837 -11.059 -6.786 1.00 0.00 H new ATOM 486 N GLU A 33 -9.618 -7.037 -5.057 1.00 0.00 N ATOM 487 CA GLU A 33 -9.760 -5.824 -4.282 1.00 0.00 C ATOM 488 C GLU A 33 -9.894 -6.097 -2.803 1.00 0.00 C ATOM 489 O GLU A 33 -10.485 -7.094 -2.381 1.00 0.00 O ATOM 490 CB GLU A 33 -10.948 -5.001 -4.764 1.00 0.00 C ATOM 491 CG GLU A 33 -12.304 -5.633 -4.520 1.00 0.00 C ATOM 492 CD GLU A 33 -13.426 -4.651 -4.752 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.312 -3.497 -4.286 1.00 0.00 O ATOM 494 OE2 GLU A 33 -14.423 -5.022 -5.387 1.00 0.00 O ATOM 0 H GLU A 33 -10.201 -7.814 -4.747 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.843 -5.254 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.922 -4.029 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.835 -4.819 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.429 -6.492 -5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.353 -6.007 -3.497 1.00 0.00 H new ATOM 501 N ILE A 34 -9.341 -5.203 -2.014 1.00 0.00 N ATOM 502 CA ILE A 34 -9.421 -5.275 -0.569 1.00 0.00 C ATOM 503 C ILE A 34 -9.699 -3.893 -0.001 1.00 0.00 C ATOM 504 O ILE A 34 -9.048 -2.917 -0.367 1.00 0.00 O ATOM 505 CB ILE A 34 -8.120 -5.834 0.057 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.893 -5.120 -0.524 1.00 0.00 C ATOM 507 CG2 ILE A 34 -8.027 -7.342 -0.148 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.577 -5.570 0.067 1.00 0.00 C ATOM 0 H ILE A 34 -8.818 -4.398 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.234 -5.957 -0.319 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.144 -5.644 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.869 -5.282 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.002 -4.047 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.105 -7.714 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.881 -7.827 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.028 -7.565 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.761 -5.017 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.577 -5.382 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.442 -6.636 -0.115 1.00 0.00 H new ATOM 520 N HIS A 35 -10.681 -3.801 0.866 1.00 0.00 N ATOM 521 CA HIS A 35 -11.046 -2.527 1.480 1.00 0.00 C ATOM 522 C HIS A 35 -10.602 -2.511 2.928 1.00 0.00 C ATOM 523 O HIS A 35 -10.853 -3.460 3.673 1.00 0.00 O ATOM 524 CB HIS A 35 -12.565 -2.290 1.411 1.00 0.00 C ATOM 525 CG HIS A 35 -13.119 -2.081 0.031 1.00 0.00 C ATOM 526 ND1 HIS A 35 -14.068 -1.127 -0.258 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.884 -2.731 -1.132 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.393 -1.199 -1.533 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.687 -2.165 -2.084 1.00 0.00 N ATOM 0 H HIS A 35 -11.249 -4.592 1.169 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.547 -1.731 0.928 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.070 -3.144 1.862 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.808 -1.418 2.018 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.191 -3.546 -1.281 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.114 -0.574 -2.039 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.732 -2.446 -3.064 1.00 0.00 H new ATOM 538 N PHE A 36 -9.934 -1.449 3.331 1.00 0.00 N ATOM 539 CA PHE A 36 -9.460 -1.327 4.700 1.00 0.00 C ATOM 540 C PHE A 36 -9.673 0.073 5.243 1.00 0.00 C ATOM 541 O PHE A 36 -9.745 1.054 4.491 1.00 0.00 O ATOM 542 CB PHE A 36 -7.980 -1.709 4.811 1.00 0.00 C ATOM 543 CG PHE A 36 -7.724 -3.188 4.739 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.913 -3.987 5.855 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.297 -3.780 3.561 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.681 -5.347 5.799 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.063 -5.142 3.502 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.256 -5.925 4.622 1.00 0.00 C ATOM 0 H PHE A 36 -9.706 -0.656 2.732 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.047 -2.021 5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.427 -1.216 4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.587 -1.328 5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.246 -3.541 6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.146 -3.172 2.681 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.832 -5.958 6.677 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.729 -5.593 2.579 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.074 -6.989 4.576 1.00 0.00 H new ATOM 558 N LYS A 37 -9.783 0.159 6.551 1.00 0.00 N ATOM 559 CA LYS A 37 -9.964 1.423 7.232 1.00 0.00 C ATOM 560 C LYS A 37 -8.643 1.930 7.751 1.00 0.00 C ATOM 561 O LYS A 37 -7.915 1.213 8.441 1.00 0.00 O ATOM 562 CB LYS A 37 -10.956 1.276 8.367 1.00 0.00 C ATOM 563 CG LYS A 37 -11.269 2.584 9.081 1.00 0.00 C ATOM 564 CD LYS A 37 -12.568 2.487 9.850 1.00 0.00 C ATOM 565 CE LYS A 37 -13.724 2.209 8.908 1.00 0.00 C ATOM 566 NZ LYS A 37 -15.023 2.161 9.615 1.00 0.00 N ATOM 0 H LYS A 37 -9.749 -0.648 7.174 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.360 2.147 6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.882 0.855 7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.563 0.562 9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.456 2.833 9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.333 3.393 8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.499 1.693 10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.747 3.416 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.759 2.982 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.555 1.261 8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.783 1.969 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.001 1.406 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.199 3.074 10.080 1.00 0.00 H new ATOM 580 N VAL A 38 -8.324 3.166 7.430 1.00 0.00 N ATOM 581 CA VAL A 38 -7.064 3.740 7.803 1.00 0.00 C ATOM 582 C VAL A 38 -7.258 5.137 8.389 1.00 0.00 C ATOM 583 O VAL A 38 -8.370 5.670 8.417 1.00 0.00 O ATOM 584 CB VAL A 38 -6.113 3.791 6.576 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.927 2.401 6.004 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.629 4.743 5.503 1.00 0.00 C ATOM 0 H VAL A 38 -8.933 3.793 6.905 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.612 3.111 8.569 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.149 4.171 6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.259 2.448 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.496 1.750 6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.893 2.004 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.937 4.752 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.610 4.411 5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.709 5.748 5.917 1.00 0.00 H new ATOM 622 N MET A 40 -5.175 9.170 8.916 1.00 0.00 N ATOM 623 CA MET A 40 -4.584 10.162 8.030 1.00 0.00 C ATOM 624 C MET A 40 -3.118 9.833 7.758 1.00 0.00 C ATOM 625 O MET A 40 -2.615 10.030 6.654 1.00 0.00 O ATOM 626 CB MET A 40 -4.718 11.564 8.635 1.00 0.00 C ATOM 627 CG MET A 40 -4.332 12.712 7.703 1.00 0.00 C ATOM 628 SD MET A 40 -5.639 13.185 6.527 1.00 0.00 S ATOM 629 CE MET A 40 -5.673 11.795 5.392 1.00 0.00 C ATOM 0 HA MET A 40 -5.120 10.142 7.081 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.750 11.708 8.955 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.097 11.618 9.529 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.068 13.581 8.305 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.440 12.428 7.144 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.841 12.157 4.378 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.721 11.267 5.435 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.478 11.116 5.673 1.00 0.00 H new ATOM 639 N THR A 41 -2.443 9.299 8.756 1.00 0.00 N ATOM 640 CA THR A 41 -1.030 8.993 8.645 1.00 0.00 C ATOM 641 C THR A 41 -0.743 7.487 8.678 1.00 0.00 C ATOM 642 O THR A 41 0.337 7.064 9.095 1.00 0.00 O ATOM 643 CB THR A 41 -0.241 9.691 9.760 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.849 9.428 11.035 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.197 11.185 9.519 1.00 0.00 C ATOM 0 H THR A 41 -2.854 9.066 9.660 1.00 0.00 H new ATOM 0 HA THR A 41 -0.708 9.366 7.672 1.00 0.00 H new ATOM 0 HB THR A 41 0.777 9.300 9.759 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.337 9.876 11.740 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.366 11.666 10.319 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.287 11.385 8.563 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.212 11.581 9.502 1.00 0.00 H new ATOM 653 N THR A 42 -1.694 6.676 8.227 1.00 0.00 N ATOM 654 CA THR A 42 -1.495 5.229 8.189 1.00 0.00 C ATOM 655 C THR A 42 -0.422 4.847 7.179 1.00 0.00 C ATOM 656 O THR A 42 -0.522 5.170 5.992 1.00 0.00 O ATOM 657 CB THR A 42 -2.799 4.478 7.834 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.747 4.641 8.883 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.535 2.990 7.628 1.00 0.00 C ATOM 0 H THR A 42 -2.602 6.990 7.885 1.00 0.00 H new ATOM 0 HA THR A 42 -1.178 4.936 9.190 1.00 0.00 H new ATOM 0 HB THR A 42 -3.190 4.897 6.907 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.329 3.854 8.923 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.469 2.486 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.823 2.856 6.814 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.125 2.563 8.543 1.00 0.00 H new ATOM 667 N HIS A 43 0.619 4.175 7.651 1.00 0.00 N ATOM 668 CA HIS A 43 1.660 3.691 6.769 1.00 0.00 C ATOM 669 C HIS A 43 1.129 2.504 6.009 1.00 0.00 C ATOM 670 O HIS A 43 1.050 1.386 6.523 1.00 0.00 O ATOM 671 CB HIS A 43 2.941 3.344 7.542 1.00 0.00 C ATOM 672 CG HIS A 43 3.642 4.556 8.084 1.00 0.00 C ATOM 673 ND1 HIS A 43 5.011 4.694 8.120 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.141 5.692 8.611 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.319 5.865 8.648 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.199 6.488 8.952 1.00 0.00 N ATOM 0 H HIS A 43 0.761 3.956 8.637 1.00 0.00 H new ATOM 0 HA HIS A 43 1.935 4.477 6.066 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.692 2.675 8.366 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.620 2.801 6.885 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.683 4.001 7.791 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.095 5.929 8.740 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.317 6.246 8.804 1.00 0.00 H new ATOM 685 N LEU A 44 0.743 2.755 4.781 1.00 0.00 N ATOM 686 CA LEU A 44 0.068 1.770 3.943 1.00 0.00 C ATOM 687 C LEU A 44 0.921 0.561 3.612 1.00 0.00 C ATOM 688 O LEU A 44 0.412 -0.433 3.087 1.00 0.00 O ATOM 689 CB LEU A 44 -0.424 2.423 2.668 1.00 0.00 C ATOM 690 CG LEU A 44 -1.492 3.492 2.853 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.846 4.111 1.524 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.730 2.904 3.517 1.00 0.00 C ATOM 0 H LEU A 44 0.886 3.655 4.323 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.774 1.399 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.428 2.870 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.820 1.648 2.012 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.094 4.271 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.611 4.874 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.958 4.567 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.226 3.340 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.482 3.684 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.133 2.107 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.462 2.500 4.493 1.00 0.00 H new ATOM 704 N LYS A 45 2.202 0.629 3.908 1.00 0.00 N ATOM 705 CA LYS A 45 3.100 -0.469 3.671 1.00 0.00 C ATOM 706 C LYS A 45 2.612 -1.692 4.413 1.00 0.00 C ATOM 707 O LYS A 45 2.634 -2.808 3.894 1.00 0.00 O ATOM 708 CB LYS A 45 4.482 -0.082 4.161 1.00 0.00 C ATOM 709 CG LYS A 45 5.609 -0.934 3.617 1.00 0.00 C ATOM 710 CD LYS A 45 5.809 -2.228 4.369 1.00 0.00 C ATOM 711 CE LYS A 45 7.081 -2.893 3.893 1.00 0.00 C ATOM 712 NZ LYS A 45 7.377 -4.168 4.595 1.00 0.00 N ATOM 0 H LYS A 45 2.645 1.450 4.320 1.00 0.00 H new ATOM 0 HA LYS A 45 3.139 -0.697 2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.669 0.958 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.495 -0.138 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.409 -1.160 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.535 -0.359 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.866 -2.034 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.958 -2.890 4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.003 -3.085 2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.916 -2.207 4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.403 -4.255 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.896 -4.176 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.039 -4.967 4.021 1.00 0.00 H new ATOM 726 N LYS A 46 2.128 -1.474 5.622 1.00 0.00 N ATOM 727 CA LYS A 46 1.671 -2.550 6.457 1.00 0.00 C ATOM 728 C LYS A 46 0.410 -3.198 5.858 1.00 0.00 C ATOM 729 O LYS A 46 0.207 -4.408 5.966 1.00 0.00 O ATOM 730 CB LYS A 46 1.412 -2.039 7.892 1.00 0.00 C ATOM 731 CG LYS A 46 1.275 -3.136 8.951 1.00 0.00 C ATOM 732 CD LYS A 46 -0.078 -3.830 8.896 1.00 0.00 C ATOM 733 CE LYS A 46 -0.059 -5.121 9.684 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.341 -5.861 9.577 1.00 0.00 N ATOM 0 H LYS A 46 2.044 -0.549 6.043 1.00 0.00 H new ATOM 0 HA LYS A 46 2.447 -3.314 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.229 -1.377 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.501 -1.440 7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.065 -3.874 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.418 -2.702 9.941 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.846 -3.168 9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.342 -4.037 7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.754 -5.752 9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.146 -4.902 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.368 -6.613 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.134 -5.206 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.420 -6.283 8.630 1.00 0.00 H new ATOM 748 N LEU A 47 -0.418 -2.396 5.192 1.00 0.00 N ATOM 749 CA LEU A 47 -1.642 -2.902 4.584 1.00 0.00 C ATOM 750 C LEU A 47 -1.264 -3.832 3.455 1.00 0.00 C ATOM 751 O LEU A 47 -1.766 -4.950 3.344 1.00 0.00 O ATOM 752 CB LEU A 47 -2.504 -1.727 4.051 1.00 0.00 C ATOM 753 CG LEU A 47 -3.936 -2.067 3.558 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.730 -0.796 3.323 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.914 -2.892 2.276 1.00 0.00 C ATOM 0 H LEU A 47 -0.263 -1.396 5.061 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.231 -3.441 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.587 -0.982 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.965 -1.259 3.227 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.412 -2.661 4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.732 -1.051 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.800 -0.233 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.230 -0.189 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.936 -3.108 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.407 -2.331 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.383 -3.827 2.454 1.00 0.00 H new ATOM 767 N LYS A 48 -0.362 -3.361 2.618 1.00 0.00 N ATOM 768 CA LYS A 48 0.119 -4.131 1.496 1.00 0.00 C ATOM 769 C LYS A 48 0.764 -5.421 1.976 1.00 0.00 C ATOM 770 O LYS A 48 0.528 -6.486 1.415 1.00 0.00 O ATOM 771 CB LYS A 48 1.088 -3.306 0.653 1.00 0.00 C ATOM 772 CG LYS A 48 0.410 -2.328 -0.315 1.00 0.00 C ATOM 773 CD LYS A 48 -0.546 -1.378 0.390 1.00 0.00 C ATOM 774 CE LYS A 48 -1.058 -0.314 -0.552 1.00 0.00 C ATOM 775 NZ LYS A 48 -2.129 0.515 0.066 1.00 0.00 N ATOM 0 H LYS A 48 0.056 -2.434 2.699 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.729 -4.394 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.743 -2.744 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.721 -3.984 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.173 -1.750 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.135 -2.891 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.386 -1.940 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.039 -0.907 1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.232 0.329 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.442 -0.786 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.908 0.637 -0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.485 0.041 0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.743 1.446 0.321 1.00 0.00 H new ATOM 789 N GLU A 49 1.582 -5.326 3.027 1.00 0.00 N ATOM 790 CA GLU A 49 2.176 -6.511 3.649 1.00 0.00 C ATOM 791 C GLU A 49 1.100 -7.489 4.093 1.00 0.00 C ATOM 792 O GLU A 49 1.222 -8.688 3.893 1.00 0.00 O ATOM 793 CB GLU A 49 3.024 -6.120 4.852 1.00 0.00 C ATOM 794 CG GLU A 49 4.382 -5.576 4.490 1.00 0.00 C ATOM 795 CD GLU A 49 5.293 -6.630 3.890 1.00 0.00 C ATOM 796 OE1 GLU A 49 4.970 -7.835 3.982 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.350 -6.253 3.353 1.00 0.00 O ATOM 0 H GLU A 49 1.847 -4.443 3.464 1.00 0.00 H new ATOM 0 HA GLU A 49 2.808 -6.991 2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.487 -5.372 5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.152 -6.992 5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.264 -4.757 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.852 -5.160 5.381 1.00 0.00 H new ATOM 804 N SER A 50 0.030 -6.968 4.679 1.00 0.00 N ATOM 805 CA SER A 50 -1.064 -7.805 5.153 1.00 0.00 C ATOM 806 C SER A 50 -1.661 -8.599 3.997 1.00 0.00 C ATOM 807 O SER A 50 -2.008 -9.768 4.143 1.00 0.00 O ATOM 808 CB SER A 50 -2.136 -6.948 5.826 1.00 0.00 C ATOM 809 OG SER A 50 -1.574 -6.159 6.864 1.00 0.00 O ATOM 0 H SER A 50 -0.104 -5.969 4.837 1.00 0.00 H new ATOM 0 HA SER A 50 -0.673 -8.508 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.608 -6.301 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.918 -7.589 6.233 1.00 0.00 H new ATOM 0 HG SER A 50 -1.075 -5.412 6.473 1.00 0.00 H new ATOM 815 N TYR A 51 -1.751 -7.964 2.838 1.00 0.00 N ATOM 816 CA TYR A 51 -2.266 -8.603 1.647 1.00 0.00 C ATOM 817 C TYR A 51 -1.244 -9.568 1.060 1.00 0.00 C ATOM 818 O TYR A 51 -1.590 -10.672 0.651 1.00 0.00 O ATOM 819 CB TYR A 51 -2.684 -7.539 0.612 1.00 0.00 C ATOM 820 CG TYR A 51 -2.493 -7.946 -0.837 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.449 -8.696 -1.506 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.345 -7.582 -1.525 1.00 0.00 C ATOM 823 CE1 TYR A 51 -3.268 -9.075 -2.825 1.00 0.00 C ATOM 824 CE2 TYR A 51 -1.151 -7.955 -2.844 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.117 -8.702 -3.489 1.00 0.00 C ATOM 826 OH TYR A 51 -1.929 -9.079 -4.807 1.00 0.00 O ATOM 0 H TYR A 51 -1.468 -6.993 2.702 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.147 -9.184 1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.734 -7.293 0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.113 -6.629 0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.350 -8.989 -0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.589 -6.997 -1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.023 -9.659 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.251 -7.664 -3.365 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.069 -8.735 -5.126 1.00 0.00 H new ATOM 836 N CYS A 52 0.016 -9.177 1.031 1.00 0.00 N ATOM 837 CA CYS A 52 1.032 -10.018 0.453 1.00 0.00 C ATOM 838 C CYS A 52 1.251 -11.254 1.297 1.00 0.00 C ATOM 839 O CYS A 52 1.264 -12.344 0.793 1.00 0.00 O ATOM 840 CB CYS A 52 2.338 -9.247 0.282 1.00 0.00 C ATOM 841 SG CYS A 52 2.175 -7.749 -0.711 1.00 0.00 S ATOM 0 H CYS A 52 0.353 -8.288 1.400 1.00 0.00 H new ATOM 0 HA CYS A 52 0.689 -10.334 -0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.722 -8.979 1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.077 -9.901 -0.182 1.00 0.00 H new ATOM 0 HG CYS A 52 1.438 -6.886 -0.077 1.00 0.00 H new ATOM 847 N GLN A 53 1.374 -11.084 2.596 1.00 0.00 N ATOM 848 CA GLN A 53 1.630 -12.211 3.481 1.00 0.00 C ATOM 849 C GLN A 53 0.429 -13.151 3.545 1.00 0.00 C ATOM 850 O GLN A 53 0.582 -14.368 3.546 1.00 0.00 O ATOM 851 CB GLN A 53 2.021 -11.730 4.885 1.00 0.00 C ATOM 852 CG GLN A 53 3.230 -10.798 4.901 1.00 0.00 C ATOM 853 CD GLN A 53 4.453 -11.402 4.230 1.00 0.00 C ATOM 854 OE1 GLN A 53 4.652 -12.615 4.249 1.00 0.00 O ATOM 855 NE2 GLN A 53 5.274 -10.558 3.632 1.00 0.00 N ATOM 0 H GLN A 53 1.302 -10.182 3.066 1.00 0.00 H new ATOM 0 HA GLN A 53 2.469 -12.770 3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.171 -11.215 5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.234 -12.597 5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.970 -9.866 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.475 -10.547 5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.072 -9.558 3.639 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.110 -10.906 3.163 1.00 0.00 H new ATOM 864 N ARG A 54 -0.775 -12.589 3.592 1.00 0.00 N ATOM 865 CA ARG A 54 -1.998 -13.394 3.626 1.00 0.00 C ATOM 866 C ARG A 54 -2.140 -14.228 2.355 1.00 0.00 C ATOM 867 O ARG A 54 -2.531 -15.399 2.394 1.00 0.00 O ATOM 868 CB ARG A 54 -3.217 -12.490 3.782 1.00 0.00 C ATOM 869 CG ARG A 54 -4.505 -13.239 4.024 1.00 0.00 C ATOM 870 CD ARG A 54 -5.668 -12.289 4.244 1.00 0.00 C ATOM 871 NE ARG A 54 -6.246 -11.810 2.985 1.00 0.00 N ATOM 872 CZ ARG A 54 -7.046 -10.737 2.883 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.279 -9.971 3.947 1.00 0.00 N ATOM 874 NH2 ARG A 54 -7.592 -10.421 1.717 1.00 0.00 N ATOM 0 H ARG A 54 -0.933 -11.581 3.607 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.933 -14.069 4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.045 -11.804 4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.324 -11.883 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.717 -13.885 3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.393 -13.886 4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.440 -12.793 4.826 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.330 -11.436 4.833 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.026 -12.325 2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.849 -10.199 4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.887 -9.156 3.866 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.405 -10.994 0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.199 -9.605 1.643 1.00 0.00 H new ATOM 888 N GLN A 55 -1.813 -13.623 1.230 1.00 0.00 N ATOM 889 CA GLN A 55 -1.917 -14.289 -0.068 1.00 0.00 C ATOM 890 C GLN A 55 -0.622 -15.070 -0.374 1.00 0.00 C ATOM 891 O GLN A 55 -0.542 -15.856 -1.320 1.00 0.00 O ATOM 892 CB GLN A 55 -2.198 -13.243 -1.161 1.00 0.00 C ATOM 893 CG GLN A 55 -3.668 -12.786 -1.274 1.00 0.00 C ATOM 894 CD GLN A 55 -4.336 -12.438 0.055 1.00 0.00 C ATOM 895 OE1 GLN A 55 -4.916 -13.289 0.721 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.276 -11.178 0.432 1.00 0.00 N ATOM 0 H GLN A 55 -1.470 -12.664 1.182 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.742 -15.002 -0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.576 -12.368 -0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.887 -13.653 -2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.713 -11.914 -1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.243 -13.576 -1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.785 -10.496 -0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.720 -10.884 1.302 1.00 0.00 H new ATOM 905 N GLY A 56 0.376 -14.823 0.447 1.00 0.00 N ATOM 906 CA GLY A 56 1.668 -15.488 0.330 1.00 0.00 C ATOM 907 C GLY A 56 2.484 -14.978 -0.848 1.00 0.00 C ATOM 908 O GLY A 56 3.214 -15.730 -1.489 1.00 0.00 O ATOM 0 H GLY A 56 0.320 -14.156 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.233 -15.340 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.512 -16.561 0.221 1.00 0.00 H new ATOM 912 N VAL A 57 2.359 -13.700 -1.133 1.00 0.00 N ATOM 913 CA VAL A 57 3.075 -13.075 -2.230 1.00 0.00 C ATOM 914 C VAL A 57 4.355 -12.428 -1.704 1.00 0.00 C ATOM 915 O VAL A 57 4.345 -11.787 -0.650 1.00 0.00 O ATOM 916 CB VAL A 57 2.220 -11.971 -2.911 1.00 0.00 C ATOM 917 CG1 VAL A 57 2.797 -11.585 -4.266 1.00 0.00 C ATOM 918 CG2 VAL A 57 0.771 -12.398 -3.045 1.00 0.00 C ATOM 0 H VAL A 57 1.758 -13.062 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 57 3.302 -13.852 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 57 2.251 -11.091 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.177 -10.811 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.811 -11.208 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.816 -12.460 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.200 -11.603 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.713 -13.303 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.357 -12.595 -2.056 1.00 0.00 H new ATOM 928 N PRO A 58 5.473 -12.596 -2.413 1.00 0.00 N ATOM 929 CA PRO A 58 6.728 -11.983 -2.032 1.00 0.00 C ATOM 930 C PRO A 58 6.717 -10.490 -2.297 1.00 0.00 C ATOM 931 O PRO A 58 6.372 -10.037 -3.394 1.00 0.00 O ATOM 932 CB PRO A 58 7.783 -12.661 -2.905 1.00 0.00 C ATOM 933 CG PRO A 58 7.058 -13.649 -3.761 1.00 0.00 C ATOM 934 CD PRO A 58 5.586 -13.388 -3.627 1.00 0.00 C ATOM 0 HA PRO A 58 6.922 -12.107 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.308 -11.928 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.533 -13.158 -2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.369 -13.552 -4.801 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.294 -14.667 -3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.197 -12.850 -4.491 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.022 -14.318 -3.550 1.00 0.00 H new ATOM 942 N MET A 59 7.121 -9.726 -1.303 1.00 0.00 N ATOM 943 CA MET A 59 7.142 -8.271 -1.380 1.00 0.00 C ATOM 944 C MET A 59 8.112 -7.770 -2.459 1.00 0.00 C ATOM 945 O MET A 59 7.967 -6.668 -2.970 1.00 0.00 O ATOM 946 CB MET A 59 7.508 -7.672 -0.016 1.00 0.00 C ATOM 947 CG MET A 59 8.845 -8.158 0.539 1.00 0.00 C ATOM 948 SD MET A 59 8.799 -9.883 1.084 1.00 0.00 S ATOM 949 CE MET A 59 10.505 -10.137 1.562 1.00 0.00 C ATOM 0 H MET A 59 7.447 -10.096 -0.410 1.00 0.00 H new ATOM 0 HA MET A 59 6.141 -7.942 -1.659 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.536 -6.586 -0.104 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.721 -7.914 0.698 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.613 -8.045 -0.227 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.136 -7.525 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.659 -11.185 1.820 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.159 -9.868 0.733 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.738 -9.513 2.425 1.00 0.00 H new ATOM 959 N ASN A 60 9.098 -8.581 -2.801 1.00 0.00 N ATOM 960 CA ASN A 60 10.084 -8.203 -3.813 1.00 0.00 C ATOM 961 C ASN A 60 9.609 -8.580 -5.199 1.00 0.00 C ATOM 962 O ASN A 60 10.134 -8.111 -6.201 1.00 0.00 O ATOM 963 CB ASN A 60 11.443 -8.859 -3.528 1.00 0.00 C ATOM 964 CG ASN A 60 11.355 -10.372 -3.420 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.401 -11.085 -4.417 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.256 -10.869 -2.199 1.00 0.00 N ATOM 0 H ASN A 60 9.242 -9.506 -2.396 1.00 0.00 H new ATOM 0 HA ASN A 60 10.203 -7.120 -3.768 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.142 -8.596 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.848 -8.456 -2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.215 -11.879 -2.061 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.221 -10.243 -1.395 1.00 0.00 H new ATOM 973 N SER A 61 8.605 -9.413 -5.250 1.00 0.00 N ATOM 974 CA SER A 61 8.080 -9.896 -6.500 1.00 0.00 C ATOM 975 C SER A 61 6.911 -9.056 -6.968 1.00 0.00 C ATOM 976 O SER A 61 6.672 -8.886 -8.163 1.00 0.00 O ATOM 977 CB SER A 61 7.633 -11.313 -6.304 1.00 0.00 C ATOM 978 OG SER A 61 8.729 -12.138 -5.966 1.00 0.00 O ATOM 0 H SER A 61 8.127 -9.777 -4.426 1.00 0.00 H new ATOM 0 HA SER A 61 8.858 -9.835 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.881 -11.357 -5.516 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.162 -11.681 -7.215 1.00 0.00 H new ATOM 0 HG SER A 61 8.733 -12.930 -6.543 1.00 0.00 H new ATOM 984 N LEU A 62 6.184 -8.531 -6.036 1.00 0.00 N ATOM 985 CA LEU A 62 5.051 -7.718 -6.350 1.00 0.00 C ATOM 986 C LEU A 62 5.377 -6.235 -6.075 1.00 0.00 C ATOM 987 O LEU A 62 6.400 -5.923 -5.471 1.00 0.00 O ATOM 988 CB LEU A 62 3.801 -8.269 -5.591 1.00 0.00 C ATOM 989 CG LEU A 62 3.383 -7.641 -4.243 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.558 -7.426 -3.321 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.598 -6.375 -4.464 1.00 0.00 C ATOM 0 H LEU A 62 6.357 -8.652 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 62 4.806 -7.766 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.949 -8.188 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.969 -9.332 -5.416 1.00 0.00 H new ATOM 0 HG LEU A 62 2.731 -8.354 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.212 -6.983 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.037 -8.383 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.276 -6.757 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.314 -5.950 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.210 -5.658 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.700 -6.599 -5.040 1.00 0.00 H new ATOM 1003 N ARG A 63 4.536 -5.333 -6.532 1.00 0.00 N ATOM 1004 CA ARG A 63 4.781 -3.911 -6.356 1.00 0.00 C ATOM 1005 C ARG A 63 3.479 -3.153 -6.131 1.00 0.00 C ATOM 1006 O ARG A 63 2.468 -3.414 -6.792 1.00 0.00 O ATOM 1007 CB ARG A 63 5.499 -3.346 -7.577 1.00 0.00 C ATOM 1008 CG ARG A 63 4.676 -3.424 -8.845 1.00 0.00 C ATOM 1009 CD ARG A 63 5.423 -2.872 -10.027 1.00 0.00 C ATOM 1010 NE ARG A 63 6.556 -3.715 -10.402 1.00 0.00 N ATOM 1011 CZ ARG A 63 6.941 -3.936 -11.658 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.300 -3.355 -12.666 1.00 0.00 N ATOM 1013 NH2 ARG A 63 7.970 -4.734 -11.904 1.00 0.00 N ATOM 0 H ARG A 63 3.674 -5.556 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 63 5.410 -3.786 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.762 -2.306 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.433 -3.889 -7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.403 -4.461 -9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.747 -2.870 -8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.744 -2.780 -10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.779 -1.869 -9.794 1.00 0.00 H new ATOM 0 HE ARG A 63 7.086 -4.163 -9.654 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.510 -2.737 -12.480 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.598 -3.527 -13.626 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.467 -5.179 -11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.265 -4.904 -12.865 1.00 0.00 H new ATOM 1027 N PHE A 64 3.492 -2.239 -5.184 1.00 0.00 N ATOM 1028 CA PHE A 64 2.332 -1.415 -4.895 1.00 0.00 C ATOM 1029 C PHE A 64 2.586 0.018 -5.309 1.00 0.00 C ATOM 1030 O PHE A 64 3.472 0.684 -4.775 1.00 0.00 O ATOM 1031 CB PHE A 64 1.987 -1.459 -3.402 1.00 0.00 C ATOM 1032 CG PHE A 64 2.912 -2.316 -2.577 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.688 -3.674 -2.464 1.00 0.00 C ATOM 1034 CD2 PHE A 64 3.999 -1.762 -1.919 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.524 -4.471 -1.714 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.845 -2.554 -1.162 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.606 -3.912 -1.061 1.00 0.00 C ATOM 0 H PHE A 64 4.301 -2.045 -4.594 1.00 0.00 H new ATOM 0 HA PHE A 64 1.491 -1.813 -5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.003 -0.443 -3.007 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.968 -1.829 -3.287 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.844 -4.118 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.188 -0.702 -1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.334 -5.531 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.689 -2.113 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.264 -4.535 -0.473 1.00 0.00 H new ATOM 1047 N LEU A 65 1.819 0.497 -6.257 1.00 0.00 N ATOM 1048 CA LEU A 65 1.983 1.851 -6.728 1.00 0.00 C ATOM 1049 C LEU A 65 0.659 2.575 -6.912 1.00 0.00 C ATOM 1050 O LEU A 65 -0.392 1.969 -7.103 1.00 0.00 O ATOM 1051 CB LEU A 65 2.837 1.892 -8.014 1.00 0.00 C ATOM 1052 CG LEU A 65 2.563 0.805 -9.063 1.00 0.00 C ATOM 1053 CD1 LEU A 65 1.176 0.947 -9.653 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.613 0.860 -10.159 1.00 0.00 C ATOM 0 H LEU A 65 1.076 -0.029 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 65 2.519 2.392 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.693 2.864 -8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.887 1.830 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 65 2.617 -0.165 -8.568 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.013 0.163 -10.392 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.433 0.859 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.082 1.922 -10.132 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.409 0.085 -10.898 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.585 1.837 -10.641 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.600 0.698 -9.726 1.00 0.00 H new ATOM 1066 N PHE A 66 0.717 3.876 -6.820 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.432 4.726 -7.017 1.00 0.00 C ATOM 1068 C PHE A 66 -0.006 5.950 -7.791 1.00 0.00 C ATOM 1069 O PHE A 66 0.935 6.620 -7.405 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.038 5.133 -5.673 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.135 6.144 -5.801 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.337 5.799 -6.376 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.958 7.440 -5.351 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.350 6.722 -6.501 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.966 8.371 -5.472 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.166 8.010 -6.050 1.00 0.00 C ATOM 0 H PHE A 66 1.574 4.385 -6.603 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.193 4.182 -7.577 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.427 4.246 -5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.252 5.538 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.487 4.791 -6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.019 7.725 -4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.289 6.436 -6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.818 9.380 -5.116 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.959 8.736 -6.148 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.680 6.234 -8.895 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.330 7.365 -9.762 1.00 0.00 C ATOM 1088 C GLU A 67 1.124 7.283 -10.244 1.00 0.00 C ATOM 1089 O GLU A 67 1.741 8.288 -10.581 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.576 8.708 -9.062 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.041 9.016 -8.826 1.00 0.00 C ATOM 1092 CD GLU A 67 -2.279 10.482 -8.542 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -2.256 11.283 -9.501 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -2.488 10.850 -7.367 1.00 0.00 O ATOM 0 H GLU A 67 -1.482 5.694 -9.220 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.983 7.304 -10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.055 8.709 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.139 9.506 -9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.618 8.719 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.405 8.422 -7.988 1.00 0.00 H new ATOM 1101 N GLY A 68 1.663 6.075 -10.283 1.00 0.00 N ATOM 1102 CA GLY A 68 3.008 5.878 -10.776 1.00 0.00 C ATOM 1103 C GLY A 68 4.059 5.997 -9.693 1.00 0.00 C ATOM 1104 O GLY A 68 5.257 6.065 -9.983 1.00 0.00 O ATOM 0 H GLY A 68 1.190 5.224 -9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.079 4.893 -11.237 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.214 6.611 -11.556 1.00 0.00 H new ATOM 1108 N GLN A 69 3.633 6.022 -8.440 1.00 0.00 N ATOM 1109 CA GLN A 69 4.566 6.122 -7.334 1.00 0.00 C ATOM 1110 C GLN A 69 4.431 4.916 -6.432 1.00 0.00 C ATOM 1111 O GLN A 69 3.321 4.480 -6.117 1.00 0.00 O ATOM 1112 CB GLN A 69 4.336 7.418 -6.552 1.00 0.00 C ATOM 1113 CG GLN A 69 3.102 7.411 -5.674 1.00 0.00 C ATOM 1114 CD GLN A 69 2.685 8.800 -5.254 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.519 9.678 -5.040 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.390 9.015 -5.161 1.00 0.00 N ATOM 0 H GLN A 69 2.652 5.975 -8.166 1.00 0.00 H new ATOM 0 HA GLN A 69 5.581 6.145 -7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.209 7.611 -5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.259 8.245 -7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.281 6.935 -6.210 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.295 6.809 -4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.733 8.258 -5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.044 9.939 -4.903 1.00 0.00 H new ATOM 1125 N ARG A 70 5.546 4.362 -6.028 1.00 0.00 N ATOM 1126 CA ARG A 70 5.548 3.189 -5.180 1.00 0.00 C ATOM 1127 C ARG A 70 5.150 3.558 -3.760 1.00 0.00 C ATOM 1128 O ARG A 70 5.532 4.620 -3.240 1.00 0.00 O ATOM 1129 CB ARG A 70 6.925 2.513 -5.198 1.00 0.00 C ATOM 1130 CG ARG A 70 8.054 3.398 -4.692 1.00 0.00 C ATOM 1131 CD ARG A 70 9.410 2.762 -4.936 1.00 0.00 C ATOM 1132 NE ARG A 70 10.507 3.645 -4.535 1.00 0.00 N ATOM 1133 CZ ARG A 70 11.648 3.793 -5.216 1.00 0.00 C ATOM 1134 NH1 ARG A 70 11.851 3.111 -6.341 1.00 0.00 N ATOM 1135 NH2 ARG A 70 12.581 4.622 -4.773 1.00 0.00 N ATOM 0 H ARG A 70 6.474 4.706 -6.274 1.00 0.00 H new ATOM 0 HA ARG A 70 4.815 2.482 -5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.883 1.610 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.151 2.199 -6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.010 4.366 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.924 3.582 -3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.477 1.826 -4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.510 2.515 -5.993 1.00 0.00 H new ATOM 0 HE ARG A 70 10.393 4.184 -3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.135 2.472 -6.687 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.723 3.227 -6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.429 5.148 -3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.451 4.735 -5.293 1.00 0.00 H new ATOM 1149 N ILE A 71 4.358 2.723 -3.136 1.00 0.00 N ATOM 1150 CA ILE A 71 3.944 2.976 -1.784 1.00 0.00 C ATOM 1151 C ILE A 71 5.050 2.572 -0.818 1.00 0.00 C ATOM 1152 O ILE A 71 5.230 1.400 -0.503 1.00 0.00 O ATOM 1153 CB ILE A 71 2.631 2.241 -1.424 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.622 2.318 -2.586 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.028 2.857 -0.172 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.224 3.730 -2.975 1.00 0.00 C ATOM 0 H ILE A 71 3.989 1.864 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 71 3.751 4.045 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 71 2.860 1.191 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.050 1.821 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.725 1.763 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.103 2.338 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.733 2.765 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.815 3.911 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.512 3.693 -3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.764 4.227 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.109 4.285 -3.285 1.00 0.00 H new ATOM 1168 N ALA A 72 5.805 3.562 -0.372 1.00 0.00 N ATOM 1169 CA ALA A 72 6.922 3.362 0.530 1.00 0.00 C ATOM 1170 C ALA A 72 6.459 2.992 1.925 1.00 0.00 C ATOM 1171 O ALA A 72 5.275 3.125 2.264 1.00 0.00 O ATOM 1172 CB ALA A 72 7.755 4.630 0.590 1.00 0.00 C ATOM 0 H ALA A 72 5.656 4.537 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 72 7.520 2.535 0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.596 4.481 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.130 4.867 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.139 5.453 0.951 1.00 0.00 H new ATOM 1178 N ASP A 73 7.404 2.566 2.750 1.00 0.00 N ATOM 1179 CA ASP A 73 7.131 2.192 4.132 1.00 0.00 C ATOM 1180 C ASP A 73 6.648 3.387 4.925 1.00 0.00 C ATOM 1181 O ASP A 73 6.015 3.246 5.969 1.00 0.00 O ATOM 1182 CB ASP A 73 8.373 1.632 4.819 1.00 0.00 C ATOM 1183 CG ASP A 73 8.982 0.443 4.133 1.00 0.00 C ATOM 1184 OD1 ASP A 73 9.638 0.619 3.089 1.00 0.00 O ATOM 1185 OD2 ASP A 73 8.839 -0.676 4.656 1.00 0.00 O ATOM 0 H ASP A 73 8.383 2.469 2.481 1.00 0.00 H new ATOM 0 HA ASP A 73 6.359 1.423 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.123 2.421 4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.113 1.353 5.840 1.00 0.00 H new ATOM 1190 N ASN A 74 6.929 4.568 4.418 1.00 0.00 N ATOM 1191 CA ASN A 74 6.600 5.798 5.101 1.00 0.00 C ATOM 1192 C ASN A 74 5.458 6.513 4.396 1.00 0.00 C ATOM 1193 O ASN A 74 5.057 7.614 4.786 1.00 0.00 O ATOM 1194 CB ASN A 74 7.837 6.712 5.151 1.00 0.00 C ATOM 1195 CG ASN A 74 8.417 7.018 3.765 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.699 7.078 2.766 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.719 7.195 3.700 1.00 0.00 N ATOM 0 H ASN A 74 7.393 4.701 3.519 1.00 0.00 H new ATOM 0 HA ASN A 74 6.285 5.559 6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.570 7.648 5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.605 6.240 5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.163 7.389 2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.284 7.139 4.547 1.00 0.00 H new ATOM 1204 N HIS A 75 4.916 5.890 3.353 1.00 0.00 N ATOM 1205 CA HIS A 75 3.865 6.521 2.589 1.00 0.00 C ATOM 1206 C HIS A 75 2.517 6.336 3.238 1.00 0.00 C ATOM 1207 O HIS A 75 2.174 5.250 3.719 1.00 0.00 O ATOM 1208 CB HIS A 75 3.840 6.016 1.152 1.00 0.00 C ATOM 1209 CG HIS A 75 4.629 6.871 0.212 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.816 6.559 -1.119 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.254 8.058 0.405 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.515 7.513 -1.695 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.793 8.430 -0.796 1.00 0.00 N ATOM 0 H HIS A 75 5.188 4.962 3.028 1.00 0.00 H new ATOM 0 HA HIS A 75 4.084 7.589 2.570 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.232 4.999 1.124 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.807 5.968 0.809 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.315 8.607 1.333 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.811 7.538 -2.733 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.326 9.283 -0.966 1.00 0.00 H new ATOM 1222 N THR A 76 1.745 7.399 3.240 1.00 0.00 N ATOM 1223 CA THR A 76 0.440 7.414 3.853 1.00 0.00 C ATOM 1224 C THR A 76 -0.564 8.049 2.902 1.00 0.00 C ATOM 1225 O THR A 76 -0.168 8.668 1.905 1.00 0.00 O ATOM 1226 CB THR A 76 0.495 8.274 5.133 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.797 9.622 4.777 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.573 7.784 6.062 1.00 0.00 C ATOM 0 H THR A 76 2.010 8.286 2.811 1.00 0.00 H new ATOM 0 HA THR A 76 0.142 6.392 4.087 1.00 0.00 H new ATOM 0 HB THR A 76 -0.471 8.207 5.633 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.535 9.949 5.332 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.592 8.406 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.369 6.751 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.539 7.840 5.560 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.877 7.911 3.176 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.912 8.562 2.380 1.00 0.00 C ATOM 1238 C PRO A 77 -2.731 10.077 2.351 1.00 0.00 C ATOM 1239 O PRO A 77 -3.003 10.728 1.337 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.221 8.192 3.092 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.811 7.684 4.432 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.456 7.080 4.244 1.00 0.00 C ATOM 0 HA PRO A 77 -2.886 8.241 1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.877 9.058 3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.771 7.433 2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.781 8.492 5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.520 6.944 4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.863 7.124 5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.517 6.031 3.953 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.239 10.642 3.456 1.00 0.00 N ATOM 1251 CA LYS A 78 -2.015 12.077 3.540 1.00 0.00 C ATOM 1252 C LYS A 78 -0.803 12.464 2.689 1.00 0.00 C ATOM 1253 O LYS A 78 -0.771 13.522 2.071 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.758 12.512 5.003 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.316 12.305 5.435 1.00 0.00 C ATOM 1256 CD LYS A 78 0.096 13.194 6.579 1.00 0.00 C ATOM 1257 CE LYS A 78 1.615 13.293 6.645 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.143 14.299 5.692 1.00 0.00 N ATOM 0 H LYS A 78 -1.991 10.125 4.299 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.909 12.580 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.018 13.564 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.415 11.949 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.177 11.263 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.341 12.490 4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.336 14.187 6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.291 12.796 7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.918 13.558 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.053 12.319 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.995 13.924 5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.421 14.508 4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.383 15.171 6.205 1.00 0.00 H new ATOM 1272 N GLU A 79 0.192 11.575 2.646 1.00 0.00 N ATOM 1273 CA GLU A 79 1.444 11.854 1.974 1.00 0.00 C ATOM 1274 C GLU A 79 1.276 11.751 0.476 1.00 0.00 C ATOM 1275 O GLU A 79 1.845 12.520 -0.287 1.00 0.00 O ATOM 1276 CB GLU A 79 2.510 10.872 2.440 1.00 0.00 C ATOM 1277 CG GLU A 79 3.914 11.446 2.454 1.00 0.00 C ATOM 1278 CD GLU A 79 4.011 12.717 3.268 1.00 0.00 C ATOM 1279 OE1 GLU A 79 4.051 12.630 4.509 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.049 13.816 2.671 1.00 0.00 O ATOM 0 H GLU A 79 0.145 10.651 3.075 1.00 0.00 H new ATOM 0 HA GLU A 79 1.753 12.869 2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.259 10.528 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.493 9.997 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.602 10.705 2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.231 11.648 1.431 1.00 0.00 H new ATOM 1287 N LEU A 80 0.497 10.783 0.060 1.00 0.00 N ATOM 1288 CA LEU A 80 0.246 10.550 -1.343 1.00 0.00 C ATOM 1289 C LEU A 80 -0.858 11.457 -1.867 1.00 0.00 C ATOM 1290 O LEU A 80 -1.061 11.578 -3.077 1.00 0.00 O ATOM 1291 CB LEU A 80 -0.104 9.088 -1.540 1.00 0.00 C ATOM 1292 CG LEU A 80 0.985 8.117 -1.095 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.460 6.708 -1.026 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.168 8.194 -2.028 1.00 0.00 C ATOM 0 H LEU A 80 0.018 10.133 0.684 1.00 0.00 H new ATOM 0 HA LEU A 80 1.144 10.787 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.018 8.868 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.319 8.917 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 80 1.307 8.405 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.258 6.038 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.362 6.661 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.103 6.404 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.937 7.496 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.852 7.935 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.571 9.207 -2.022 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.572 12.103 -0.957 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.635 13.010 -1.350 1.00 0.00 C ATOM 1308 C GLY A 81 -3.814 12.287 -1.957 1.00 0.00 C ATOM 1309 O GLY A 81 -4.388 12.730 -2.950 1.00 0.00 O ATOM 0 H GLY A 81 -1.435 12.016 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.968 13.575 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.246 13.732 -2.068 1.00 0.00 H new ATOM 1313 N MET A 82 -4.181 11.172 -1.365 1.00 0.00 N ATOM 1314 CA MET A 82 -5.285 10.374 -1.864 1.00 0.00 C ATOM 1315 C MET A 82 -6.578 10.757 -1.176 1.00 0.00 C ATOM 1316 O MET A 82 -6.587 11.552 -0.236 1.00 0.00 O ATOM 1317 CB MET A 82 -5.004 8.890 -1.660 1.00 0.00 C ATOM 1318 CG MET A 82 -3.731 8.423 -2.330 1.00 0.00 C ATOM 1319 SD MET A 82 -3.453 6.654 -2.170 1.00 0.00 S ATOM 1320 CE MET A 82 -3.266 6.506 -0.410 1.00 0.00 C ATOM 0 H MET A 82 -3.730 10.794 -0.532 1.00 0.00 H new ATOM 0 HA MET A 82 -5.389 10.569 -2.931 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.941 8.683 -0.592 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.843 8.312 -2.047 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.768 8.684 -3.388 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.884 8.958 -1.899 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.069 5.466 -0.151 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.433 7.126 -0.079 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.181 6.835 0.082 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.670 10.187 -1.636 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.970 10.458 -1.062 1.00 0.00 C ATOM 1332 C GLU A 83 -9.539 9.191 -0.454 1.00 0.00 C ATOM 1333 O GLU A 83 -8.913 8.135 -0.510 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.916 11.026 -2.118 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.430 12.335 -2.718 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.440 12.958 -3.646 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.397 13.581 -3.152 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.283 12.830 -4.876 1.00 0.00 O ATOM 0 H GLU A 83 -7.683 9.527 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.860 11.204 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.042 10.293 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.898 11.182 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.200 13.035 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.502 12.158 -3.262 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.709 9.278 0.139 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.310 8.114 0.755 1.00 0.00 C ATOM 1347 C GLU A 84 -11.892 7.164 -0.276 1.00 0.00 C ATOM 1348 O GLU A 84 -12.494 7.579 -1.270 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.351 8.491 1.794 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.224 9.653 1.398 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.477 9.718 2.225 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.413 10.209 3.371 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -15.534 9.258 1.742 1.00 0.00 O ATOM 0 H GLU A 84 -11.260 10.134 0.208 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.506 7.590 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.984 7.625 1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.845 8.733 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.665 10.582 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.488 9.566 0.344 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.701 5.884 -0.010 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.113 4.785 -0.870 1.00 0.00 C ATOM 1362 C GLU A 85 -11.350 4.831 -2.187 1.00 0.00 C ATOM 1363 O GLU A 85 -11.763 4.252 -3.195 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.633 4.763 -1.083 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.171 3.380 -1.433 1.00 0.00 C ATOM 1366 CD GLU A 85 -15.672 3.271 -1.276 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.149 3.134 -0.123 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.385 3.305 -2.299 1.00 0.00 O ATOM 0 H GLU A 85 -11.238 5.568 0.842 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.863 3.850 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.125 5.119 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.892 5.459 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.901 3.141 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.690 2.638 -0.796 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.209 5.521 -2.165 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.337 5.615 -3.326 1.00 0.00 C ATOM 1377 C ASP A 86 -8.776 4.239 -3.648 1.00 0.00 C ATOM 1378 O ASP A 86 -8.927 3.291 -2.860 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.194 6.601 -3.068 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.759 7.329 -4.321 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.274 6.675 -5.262 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.918 8.574 -4.372 1.00 0.00 O ATOM 0 H ASP A 86 -9.869 6.025 -1.346 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.917 5.981 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.509 7.329 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.343 6.063 -2.651 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.102 4.110 -4.765 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.637 2.813 -5.178 1.00 0.00 C ATOM 1389 C VAL A 87 -6.139 2.798 -5.465 1.00 0.00 C ATOM 1390 O VAL A 87 -5.613 3.621 -6.218 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.431 2.265 -6.405 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -9.929 2.331 -6.150 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.080 3.009 -7.690 1.00 0.00 C ATOM 0 H VAL A 87 -7.867 4.877 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.821 2.149 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.140 1.223 -6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.463 1.944 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.176 1.730 -5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.223 3.366 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.655 2.596 -8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.318 4.066 -7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.015 2.897 -7.896 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.448 1.871 -4.836 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.029 1.680 -5.059 1.00 0.00 C ATOM 1405 C ILE A 88 -3.853 0.511 -6.002 1.00 0.00 C ATOM 1406 O ILE A 88 -4.575 -0.477 -5.901 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.253 1.399 -3.723 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.070 2.687 -2.902 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.896 0.746 -3.988 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.354 3.266 -2.359 1.00 0.00 C ATOM 0 H ILE A 88 -5.853 1.228 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.617 2.595 -5.484 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.859 0.702 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.398 2.481 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.583 3.436 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.387 0.566 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.043 -0.202 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.289 1.407 -4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.134 4.171 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.022 3.508 -3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.834 2.538 -1.705 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.897 0.600 -6.893 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.684 -0.437 -7.876 1.00 0.00 C ATOM 1424 C GLU A 89 -1.557 -1.356 -7.429 1.00 0.00 C ATOM 1425 O GLU A 89 -0.536 -0.905 -6.896 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.364 0.180 -9.230 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.209 -0.829 -10.351 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.490 -1.567 -10.653 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.313 -1.040 -11.437 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.681 -2.675 -10.127 1.00 0.00 O ATOM 0 H GLU A 89 -2.249 1.385 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.596 -1.026 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.156 0.881 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.443 0.757 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.869 -0.316 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.435 -1.548 -10.082 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.737 -2.635 -7.631 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.761 -3.609 -7.226 1.00 0.00 C ATOM 1439 C VAL A 90 -0.481 -4.609 -8.338 1.00 0.00 C ATOM 1440 O VAL A 90 -1.392 -5.231 -8.892 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.208 -4.357 -5.936 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.466 -5.671 -5.783 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.985 -3.483 -4.709 1.00 0.00 C ATOM 0 H VAL A 90 -2.563 -3.029 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 90 0.160 -3.068 -7.009 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.272 -4.574 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.798 -6.172 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.671 -6.307 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.605 -5.479 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.303 -4.021 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.073 -3.236 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.566 -2.566 -4.805 1.00 0.00 H new ATOM 1453 N TYR A 91 0.780 -4.767 -8.667 1.00 0.00 N ATOM 1454 CA TYR A 91 1.181 -5.710 -9.678 1.00 0.00 C ATOM 1455 C TYR A 91 2.016 -6.808 -9.061 1.00 0.00 C ATOM 1456 O TYR A 91 2.799 -6.567 -8.154 1.00 0.00 O ATOM 1457 CB TYR A 91 1.956 -5.028 -10.798 1.00 0.00 C ATOM 1458 CG TYR A 91 1.156 -3.999 -11.556 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.134 -4.383 -12.408 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.426 -2.645 -11.425 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.601 -3.450 -13.108 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.694 -1.705 -12.124 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.315 -2.112 -12.963 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.044 -1.176 -13.664 1.00 0.00 O ATOM 0 H TYR A 91 1.550 -4.249 -8.244 1.00 0.00 H new ATOM 0 HA TYR A 91 0.279 -6.143 -10.110 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.839 -4.548 -10.376 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.309 -5.787 -11.497 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.091 -5.433 -12.526 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.219 -2.321 -10.768 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.396 -3.767 -13.766 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.914 -0.654 -12.011 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.717 -0.278 -13.448 1.00 0.00 H new ATOM 1474 N GLN A 92 1.852 -8.015 -9.546 1.00 0.00 N ATOM 1475 CA GLN A 92 2.577 -9.150 -9.023 1.00 0.00 C ATOM 1476 C GLN A 92 3.279 -9.918 -10.150 1.00 0.00 C ATOM 1477 O GLN A 92 2.636 -10.485 -11.036 1.00 0.00 O ATOM 1478 CB GLN A 92 1.633 -10.066 -8.221 1.00 0.00 C ATOM 1479 CG GLN A 92 0.481 -10.669 -9.032 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.442 -11.531 -8.194 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.967 -12.533 -8.666 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.688 -11.118 -6.965 1.00 0.00 N ATOM 0 H GLN A 92 1.215 -8.239 -10.311 1.00 0.00 H new ATOM 0 HA GLN A 92 3.349 -8.786 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.218 -10.878 -7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.215 -9.496 -7.391 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.096 -9.864 -9.488 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.890 -11.268 -9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.231 -10.279 -6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.335 -11.638 -6.372 1.00 0.00 H new