USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 101 ASN : amide:sc= 0.165 K(o=-1.5,f=-2.8) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -1.62 K(o=-1.5,f=-2.6!) USER MOD Set 2.1: A 81 ASN : amide:sc= -3.57! K(o=-3.6!,f=-0.17) USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -140:sc= 0.461 (180deg=-0.0721) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= -0.115 (180deg=-0.6) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 31:sc= 0.491 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.509 USER MOD Single : A 72 CYS SG : rot 160:sc= -1.15 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 27:sc= 0.655 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 21:sc=0.000573 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot -22:sc= 0.709 USER MOD Single : A 112 SER OG : rot -120:sc= -0.771 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -128:sc= -1.72 (180deg=-4.35!) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.366 19.356 -1.637 1.00 0.00 N ATOM 363 CA PRO A 29 2.657 18.077 -1.533 1.00 0.00 C ATOM 364 C PRO A 29 1.236 18.243 -1.006 1.00 0.00 C ATOM 365 O PRO A 29 1.032 18.647 0.139 1.00 0.00 O ATOM 366 CB PRO A 29 3.507 17.281 -0.540 1.00 0.00 C ATOM 367 CG PRO A 29 4.200 18.314 0.280 1.00 0.00 C ATOM 368 CD PRO A 29 4.444 19.478 -0.641 1.00 0.00 C ATOM 0 HA PRO A 29 2.545 17.593 -2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.888 16.633 0.080 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.222 16.640 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.588 18.612 1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.138 17.930 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.394 20.428 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.429 19.424 -1.106 1.00 0.00 H new ATOM 376 N ASP A 30 0.258 17.928 -1.847 1.00 0.00 N ATOM 377 CA ASP A 30 -1.145 18.040 -1.465 1.00 0.00 C ATOM 378 C ASP A 30 -1.815 16.669 -1.446 1.00 0.00 C ATOM 379 O ASP A 30 -2.220 16.135 -2.478 1.00 0.00 O ATOM 380 CB ASP A 30 -1.885 18.969 -2.428 1.00 0.00 C ATOM 381 CG ASP A 30 -3.066 19.659 -1.775 1.00 0.00 C ATOM 382 OD1 ASP A 30 -3.243 19.500 -0.548 1.00 0.00 O ATOM 383 OD2 ASP A 30 -3.814 20.359 -2.489 1.00 0.00 O ATOM 0 H ASP A 30 0.410 17.593 -2.798 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.190 18.460 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.193 19.721 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.233 18.395 -3.287 1.00 0.00 H new ATOM 388 N PRO A 31 -1.933 16.085 -0.244 1.00 0.00 N ATOM 389 CA PRO A 31 -2.553 14.769 -0.062 1.00 0.00 C ATOM 390 C PRO A 31 -4.058 14.798 -0.305 1.00 0.00 C ATOM 391 O PRO A 31 -4.627 13.849 -0.844 1.00 0.00 O ATOM 392 CB PRO A 31 -2.254 14.437 1.402 1.00 0.00 C ATOM 393 CG PRO A 31 -2.082 15.761 2.064 1.00 0.00 C ATOM 394 CD PRO A 31 -1.473 16.665 1.028 1.00 0.00 C ATOM 0 HA PRO A 31 -2.166 14.035 -0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.069 13.871 1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.354 13.829 1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.039 16.152 2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.437 15.679 2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.810 17.695 1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.385 16.676 1.094 1.00 0.00 H new ATOM 402 N SER A 32 -4.697 15.893 0.094 1.00 0.00 N ATOM 403 CA SER A 32 -6.137 16.043 -0.078 1.00 0.00 C ATOM 404 C SER A 32 -6.515 15.993 -1.555 1.00 0.00 C ATOM 405 O SER A 32 -7.670 15.748 -1.904 1.00 0.00 O ATOM 406 CB SER A 32 -6.610 17.362 0.538 1.00 0.00 C ATOM 407 OG SER A 32 -6.418 17.367 1.941 1.00 0.00 O ATOM 0 H SER A 32 -4.240 16.689 0.539 1.00 0.00 H new ATOM 0 HA SER A 32 -6.628 15.215 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.064 18.192 0.090 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.665 17.515 0.312 1.00 0.00 H new ATOM 0 HG SER A 32 -6.726 18.221 2.310 1.00 0.00 H new ATOM 413 N LYS A 33 -5.534 16.227 -2.419 1.00 0.00 N ATOM 414 CA LYS A 33 -5.761 16.208 -3.859 1.00 0.00 C ATOM 415 C LYS A 33 -5.480 14.824 -4.436 1.00 0.00 C ATOM 416 O LYS A 33 -5.833 14.534 -5.579 1.00 0.00 O ATOM 417 CB LYS A 33 -4.876 17.249 -4.549 1.00 0.00 C ATOM 418 CG LYS A 33 -5.221 18.681 -4.180 1.00 0.00 C ATOM 419 CD LYS A 33 -6.389 19.203 -5.000 1.00 0.00 C ATOM 420 CE LYS A 33 -5.966 19.538 -6.422 1.00 0.00 C ATOM 421 NZ LYS A 33 -5.150 20.783 -6.479 1.00 0.00 N ATOM 0 H LYS A 33 -4.573 16.432 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.808 16.452 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.835 17.057 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.964 17.130 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.467 18.735 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.351 19.318 -4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.182 18.456 -5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.801 20.092 -4.523 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.392 18.708 -6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.852 19.655 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.425 21.340 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.313 21.344 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.142 20.535 -6.545 1.00 0.00 H new ATOM 435 N VAL A 34 -4.845 13.973 -3.637 1.00 0.00 N ATOM 436 CA VAL A 34 -4.520 12.618 -4.068 1.00 0.00 C ATOM 437 C VAL A 34 -5.756 11.725 -4.053 1.00 0.00 C ATOM 438 O VAL A 34 -6.315 11.438 -2.994 1.00 0.00 O ATOM 439 CB VAL A 34 -3.435 11.990 -3.172 1.00 0.00 C ATOM 440 CG1 VAL A 34 -3.262 10.514 -3.499 1.00 0.00 C ATOM 441 CG2 VAL A 34 -2.119 12.737 -3.327 1.00 0.00 C ATOM 0 H VAL A 34 -4.545 14.197 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.142 12.692 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.753 12.073 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.492 10.087 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.204 9.992 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.966 10.405 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.364 12.280 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.793 12.687 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.256 13.779 -3.039 1.00 0.00 H new ATOM 451 N LYS A 35 -6.177 11.288 -5.234 1.00 0.00 N ATOM 452 CA LYS A 35 -7.346 10.426 -5.359 1.00 0.00 C ATOM 453 C LYS A 35 -6.961 9.068 -5.937 1.00 0.00 C ATOM 454 O LYS A 35 -6.186 8.985 -6.889 1.00 0.00 O ATOM 455 CB LYS A 35 -8.402 11.088 -6.247 1.00 0.00 C ATOM 456 CG LYS A 35 -9.267 12.098 -5.513 1.00 0.00 C ATOM 457 CD LYS A 35 -10.115 12.911 -6.477 1.00 0.00 C ATOM 458 CE LYS A 35 -11.224 12.069 -7.090 1.00 0.00 C ATOM 459 NZ LYS A 35 -12.441 12.045 -6.232 1.00 0.00 N ATOM 0 H LYS A 35 -5.726 11.517 -6.120 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.761 10.274 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.905 11.585 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.042 10.316 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.914 11.579 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.633 12.767 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.550 13.761 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.483 13.314 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.480 12.465 -8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.866 11.051 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.173 11.461 -6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.203 11.643 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.798 13.014 -6.109 1.00 0.00 H new ATOM 473 N ALA A 36 -7.508 8.006 -5.354 1.00 0.00 N ATOM 474 CA ALA A 36 -7.225 6.652 -5.814 1.00 0.00 C ATOM 475 C ALA A 36 -8.480 5.984 -6.364 1.00 0.00 C ATOM 476 O ALA A 36 -9.461 5.795 -5.644 1.00 0.00 O ATOM 477 CB ALA A 36 -6.637 5.822 -4.681 1.00 0.00 C ATOM 0 H ALA A 36 -8.149 8.057 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.496 6.715 -6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.430 4.813 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.711 6.282 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.348 5.776 -3.856 1.00 0.00 H new ATOM 483 N HIS A 37 -8.444 5.630 -7.645 1.00 0.00 N ATOM 484 CA HIS A 37 -9.580 4.983 -8.292 1.00 0.00 C ATOM 485 C HIS A 37 -9.125 3.779 -9.111 1.00 0.00 C ATOM 486 O HIS A 37 -8.226 3.885 -9.944 1.00 0.00 O ATOM 487 CB HIS A 37 -10.315 5.978 -9.191 1.00 0.00 C ATOM 488 CG HIS A 37 -9.400 6.883 -9.957 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.088 6.688 -11.286 1.00 0.00 N ATOM 490 CD2 HIS A 37 -8.730 7.994 -9.574 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.264 7.640 -11.687 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.031 8.446 -10.667 1.00 0.00 N ATOM 0 H HIS A 37 -7.641 5.780 -8.255 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.260 4.635 -7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.940 5.427 -9.894 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.983 6.584 -8.578 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.742 8.442 -8.592 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.851 7.742 -12.680 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.430 9.270 -10.687 1.00 0.00 H new ATOM 501 N GLY A 38 -9.753 2.632 -8.867 1.00 0.00 N ATOM 502 CA GLY A 38 -9.398 1.424 -9.589 1.00 0.00 C ATOM 503 C GLY A 38 -10.043 0.186 -8.998 1.00 0.00 C ATOM 504 O GLY A 38 -10.685 0.234 -7.949 1.00 0.00 O ATOM 0 H GLY A 38 -10.501 2.518 -8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.700 1.525 -10.631 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.315 1.305 -9.581 1.00 0.00 H new ATOM 508 N PRO A 39 -9.875 -0.956 -9.681 1.00 0.00 N ATOM 509 CA PRO A 39 -10.439 -2.234 -9.237 1.00 0.00 C ATOM 510 C PRO A 39 -9.751 -2.768 -7.985 1.00 0.00 C ATOM 511 O PRO A 39 -10.395 -3.340 -7.107 1.00 0.00 O ATOM 512 CB PRO A 39 -10.185 -3.166 -10.425 1.00 0.00 C ATOM 513 CG PRO A 39 -9.010 -2.576 -11.125 1.00 0.00 C ATOM 514 CD PRO A 39 -9.122 -1.088 -10.940 1.00 0.00 C ATOM 0 HA PRO A 39 -11.491 -2.143 -8.966 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.978 -4.183 -10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.053 -3.216 -11.082 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.077 -2.952 -10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.013 -2.839 -12.183 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.142 -0.617 -10.873 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.646 -0.618 -11.772 1.00 0.00 H new ATOM 522 N GLY A 40 -8.438 -2.576 -7.910 1.00 0.00 N ATOM 523 CA GLY A 40 -7.684 -3.044 -6.761 1.00 0.00 C ATOM 524 C GLY A 40 -8.221 -2.495 -5.454 1.00 0.00 C ATOM 525 O GLY A 40 -7.947 -3.041 -4.384 1.00 0.00 O ATOM 0 H GLY A 40 -7.883 -2.105 -8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.710 -4.133 -6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.640 -2.753 -6.872 1.00 0.00 H new ATOM 529 N LEU A 41 -8.985 -1.412 -5.538 1.00 0.00 N ATOM 530 CA LEU A 41 -9.561 -0.787 -4.352 1.00 0.00 C ATOM 531 C LEU A 41 -10.860 -1.477 -3.949 1.00 0.00 C ATOM 532 O LEU A 41 -11.101 -1.727 -2.769 1.00 0.00 O ATOM 533 CB LEU A 41 -9.817 0.699 -4.607 1.00 0.00 C ATOM 534 CG LEU A 41 -8.619 1.511 -5.101 1.00 0.00 C ATOM 535 CD1 LEU A 41 -9.045 2.926 -5.460 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.519 1.534 -4.049 1.00 0.00 C ATOM 0 H LEU A 41 -9.220 -0.948 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.847 -0.891 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.618 0.789 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.179 1.149 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.226 1.033 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.179 3.489 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.797 2.891 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.464 3.414 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.675 2.116 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.900 1.987 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.193 0.515 -3.841 1.00 0.00 H new ATOM 548 N GLU A 42 -11.693 -1.783 -4.939 1.00 0.00 N ATOM 549 CA GLU A 42 -12.968 -2.445 -4.687 1.00 0.00 C ATOM 550 C GLU A 42 -12.753 -3.899 -4.276 1.00 0.00 C ATOM 551 O GLU A 42 -13.508 -4.446 -3.473 1.00 0.00 O ATOM 552 CB GLU A 42 -13.856 -2.382 -5.932 1.00 0.00 C ATOM 553 CG GLU A 42 -14.356 -0.983 -6.251 1.00 0.00 C ATOM 554 CD GLU A 42 -15.459 -0.982 -7.291 1.00 0.00 C ATOM 555 OE1 GLU A 42 -16.319 -1.887 -7.247 1.00 0.00 O ATOM 556 OE2 GLU A 42 -15.463 -0.075 -8.150 1.00 0.00 O ATOM 0 H GLU A 42 -11.508 -1.583 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.464 -1.923 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.297 -2.763 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.712 -3.042 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.722 -0.515 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.524 -0.376 -6.608 1.00 0.00 H new ATOM 563 N GLY A 43 -11.717 -4.519 -4.833 1.00 0.00 N ATOM 564 CA GLY A 43 -11.422 -5.904 -4.513 1.00 0.00 C ATOM 565 C GLY A 43 -10.871 -6.668 -5.700 1.00 0.00 C ATOM 566 O GLY A 43 -10.697 -6.108 -6.782 1.00 0.00 O ATOM 0 H GLY A 43 -11.077 -4.087 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.702 -5.939 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.330 -6.393 -4.159 1.00 0.00 H new ATOM 570 N GLY A 44 -10.594 -7.953 -5.499 1.00 0.00 N ATOM 571 CA GLY A 44 -10.061 -8.774 -6.570 1.00 0.00 C ATOM 572 C GLY A 44 -10.209 -10.257 -6.292 1.00 0.00 C ATOM 573 O GLY A 44 -11.174 -10.684 -5.657 1.00 0.00 O ATOM 0 H GLY A 44 -10.729 -8.440 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.573 -8.529 -7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.007 -8.538 -6.714 1.00 0.00 H new ATOM 577 N LEU A 45 -9.252 -11.045 -6.770 1.00 0.00 N ATOM 578 CA LEU A 45 -9.280 -12.490 -6.571 1.00 0.00 C ATOM 579 C LEU A 45 -7.985 -12.977 -5.929 1.00 0.00 C ATOM 580 O LEU A 45 -6.908 -12.444 -6.197 1.00 0.00 O ATOM 581 CB LEU A 45 -9.501 -13.204 -7.906 1.00 0.00 C ATOM 582 CG LEU A 45 -10.870 -13.003 -8.556 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.837 -13.433 -10.014 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.940 -13.774 -7.795 1.00 0.00 C ATOM 0 H LEU A 45 -8.447 -10.708 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.106 -12.723 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.736 -12.868 -8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.347 -14.272 -7.754 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.117 -11.942 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.820 -13.283 -10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.099 -12.838 -10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.568 -14.487 -10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.908 -13.619 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.697 -14.837 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.982 -13.419 -6.765 1.00 0.00 H new ATOM 596 N VAL A 46 -8.097 -13.994 -5.081 1.00 0.00 N ATOM 597 CA VAL A 46 -6.935 -14.556 -4.403 1.00 0.00 C ATOM 598 C VAL A 46 -5.916 -15.085 -5.406 1.00 0.00 C ATOM 599 O VAL A 46 -6.262 -15.821 -6.329 1.00 0.00 O ATOM 600 CB VAL A 46 -7.338 -15.695 -3.448 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.108 -16.300 -2.788 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.321 -15.191 -2.402 1.00 0.00 C ATOM 0 H VAL A 46 -8.981 -14.446 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.486 -13.749 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.829 -16.475 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.413 -17.103 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.444 -16.700 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.585 -15.531 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.595 -16.009 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.858 -14.391 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.215 -14.811 -2.896 1.00 0.00 H new ATOM 612 N GLY A 47 -4.656 -14.704 -5.218 1.00 0.00 N ATOM 613 CA GLY A 47 -3.605 -15.149 -6.114 1.00 0.00 C ATOM 614 C GLY A 47 -3.510 -14.299 -7.365 1.00 0.00 C ATOM 615 O GLY A 47 -2.469 -14.259 -8.021 1.00 0.00 O ATOM 0 H GLY A 47 -4.345 -14.095 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.650 -15.125 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.788 -16.186 -6.396 1.00 0.00 H new ATOM 619 N LYS A 48 -4.600 -13.616 -7.698 1.00 0.00 N ATOM 620 CA LYS A 48 -4.637 -12.761 -8.879 1.00 0.00 C ATOM 621 C LYS A 48 -4.136 -11.358 -8.552 1.00 0.00 C ATOM 622 O LYS A 48 -4.321 -10.850 -7.446 1.00 0.00 O ATOM 623 CB LYS A 48 -6.060 -12.688 -9.437 1.00 0.00 C ATOM 624 CG LYS A 48 -6.415 -13.848 -10.352 1.00 0.00 C ATOM 625 CD LYS A 48 -6.738 -15.104 -9.560 1.00 0.00 C ATOM 626 CE LYS A 48 -7.122 -16.256 -10.475 1.00 0.00 C ATOM 627 NZ LYS A 48 -8.377 -15.974 -11.226 1.00 0.00 N ATOM 0 H LYS A 48 -5.470 -13.638 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.980 -13.196 -9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.766 -12.662 -8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.179 -11.754 -9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.271 -13.576 -10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.584 -14.047 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.875 -15.388 -8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.555 -14.899 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.312 -16.446 -11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.249 -17.163 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.085 -16.703 -11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.744 -15.040 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.180 -15.982 -12.247 1.00 0.00 H new ATOM 641 N PRO A 49 -3.487 -10.716 -9.534 1.00 0.00 N ATOM 642 CA PRO A 49 -2.947 -9.363 -9.375 1.00 0.00 C ATOM 643 C PRO A 49 -4.045 -8.309 -9.278 1.00 0.00 C ATOM 644 O PRO A 49 -5.099 -8.439 -9.900 1.00 0.00 O ATOM 645 CB PRO A 49 -2.120 -9.158 -10.646 1.00 0.00 C ATOM 646 CG PRO A 49 -2.736 -10.070 -11.650 1.00 0.00 C ATOM 647 CD PRO A 49 -3.230 -11.263 -10.878 1.00 0.00 C ATOM 0 HA PRO A 49 -2.371 -9.260 -8.455 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.156 -8.121 -10.979 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.071 -9.403 -10.480 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.555 -9.578 -12.174 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.008 -10.368 -12.405 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.133 -11.682 -11.321 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.488 -12.061 -10.852 1.00 0.00 H new ATOM 655 N ALA A 50 -3.791 -7.266 -8.495 1.00 0.00 N ATOM 656 CA ALA A 50 -4.757 -6.189 -8.319 1.00 0.00 C ATOM 657 C ALA A 50 -4.057 -4.840 -8.185 1.00 0.00 C ATOM 658 O ALA A 50 -3.215 -4.653 -7.308 1.00 0.00 O ATOM 659 CB ALA A 50 -5.630 -6.456 -7.102 1.00 0.00 C ATOM 0 H ALA A 50 -2.924 -7.144 -7.972 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.390 -6.154 -9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.347 -5.643 -6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.166 -7.395 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.004 -6.521 -6.212 1.00 0.00 H new ATOM 665 N GLU A 51 -4.412 -3.905 -9.061 1.00 0.00 N ATOM 666 CA GLU A 51 -3.816 -2.575 -9.040 1.00 0.00 C ATOM 667 C GLU A 51 -4.884 -1.497 -9.203 1.00 0.00 C ATOM 668 O GLU A 51 -6.028 -1.789 -9.551 1.00 0.00 O ATOM 669 CB GLU A 51 -2.769 -2.443 -10.149 1.00 0.00 C ATOM 670 CG GLU A 51 -3.150 -3.160 -11.433 1.00 0.00 C ATOM 671 CD GLU A 51 -2.007 -3.221 -12.428 1.00 0.00 C ATOM 672 OE1 GLU A 51 -1.320 -2.194 -12.606 1.00 0.00 O ATOM 673 OE2 GLU A 51 -1.800 -4.297 -13.028 1.00 0.00 O ATOM 0 H GLU A 51 -5.109 -4.044 -9.793 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.331 -2.438 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.612 -1.386 -10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.819 -2.839 -9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.475 -4.173 -11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.999 -2.652 -11.891 1.00 0.00 H new ATOM 680 N PHE A 52 -4.502 -0.250 -8.947 1.00 0.00 N ATOM 681 CA PHE A 52 -5.426 0.871 -9.063 1.00 0.00 C ATOM 682 C PHE A 52 -4.736 2.083 -9.684 1.00 0.00 C ATOM 683 O PHE A 52 -3.525 2.076 -9.907 1.00 0.00 O ATOM 684 CB PHE A 52 -5.990 1.239 -7.690 1.00 0.00 C ATOM 685 CG PHE A 52 -4.953 1.269 -6.604 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.593 0.108 -5.939 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.338 2.458 -6.248 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.639 0.131 -4.940 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.382 2.488 -5.250 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.033 1.323 -4.594 1.00 0.00 C ATOM 0 H PHE A 52 -3.559 0.009 -8.658 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.245 0.568 -9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.467 2.217 -7.752 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.766 0.522 -7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.064 -0.827 -6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.608 3.372 -6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.367 -0.782 -4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.908 3.421 -4.983 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.288 1.344 -3.812 1.00 0.00 H new ATOM 700 N THR A 53 -5.516 3.123 -9.961 1.00 0.00 N ATOM 701 CA THR A 53 -4.982 4.342 -10.556 1.00 0.00 C ATOM 702 C THR A 53 -4.918 5.471 -9.534 1.00 0.00 C ATOM 703 O THR A 53 -5.927 5.824 -8.922 1.00 0.00 O ATOM 704 CB THR A 53 -5.832 4.799 -11.757 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.299 3.660 -12.489 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.025 5.703 -12.677 1.00 0.00 C ATOM 0 H THR A 53 -6.520 3.146 -9.783 1.00 0.00 H new ATOM 0 HA THR A 53 -3.974 4.111 -10.900 1.00 0.00 H new ATOM 0 HB THR A 53 -6.685 5.361 -11.377 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.840 3.959 -13.250 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.645 6.013 -13.518 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.695 6.583 -12.125 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.155 5.161 -13.048 1.00 0.00 H new ATOM 714 N ILE A 54 -3.728 6.034 -9.356 1.00 0.00 N ATOM 715 CA ILE A 54 -3.535 7.125 -8.409 1.00 0.00 C ATOM 716 C ILE A 54 -3.277 8.443 -9.133 1.00 0.00 C ATOM 717 O ILE A 54 -2.462 8.508 -10.054 1.00 0.00 O ATOM 718 CB ILE A 54 -2.361 6.840 -7.454 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.599 5.534 -6.693 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.174 7.997 -6.484 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.418 5.098 -5.855 1.00 0.00 C ATOM 0 H ILE A 54 -2.884 5.753 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.454 7.205 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.450 6.735 -8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.468 5.653 -6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.838 4.746 -7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.341 7.780 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.964 8.909 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.083 8.131 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.659 4.166 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.551 4.946 -6.499 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.191 5.868 -5.117 1.00 0.00 H new ATOM 733 N ASP A 55 -3.977 9.490 -8.710 1.00 0.00 N ATOM 734 CA ASP A 55 -3.822 10.807 -9.316 1.00 0.00 C ATOM 735 C ASP A 55 -3.017 11.732 -8.409 1.00 0.00 C ATOM 736 O ASP A 55 -3.461 12.091 -7.318 1.00 0.00 O ATOM 737 CB ASP A 55 -5.192 11.423 -9.606 1.00 0.00 C ATOM 738 CG ASP A 55 -5.735 11.015 -10.961 1.00 0.00 C ATOM 739 OD1 ASP A 55 -4.944 10.526 -11.794 1.00 0.00 O ATOM 740 OD2 ASP A 55 -6.951 11.187 -11.189 1.00 0.00 O ATOM 0 H ASP A 55 -4.657 9.452 -7.950 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.280 10.686 -10.254 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.895 11.120 -8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.116 12.509 -9.561 1.00 0.00 H new ATOM 745 N THR A 56 -1.828 12.114 -8.866 1.00 0.00 N ATOM 746 CA THR A 56 -0.960 12.994 -8.096 1.00 0.00 C ATOM 747 C THR A 56 -0.478 14.169 -8.940 1.00 0.00 C ATOM 748 O THR A 56 0.552 14.777 -8.648 1.00 0.00 O ATOM 749 CB THR A 56 0.264 12.237 -7.546 1.00 0.00 C ATOM 750 OG1 THR A 56 0.737 11.299 -8.520 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.086 11.506 -6.259 1.00 0.00 C ATOM 0 H THR A 56 -1.445 11.827 -9.767 1.00 0.00 H new ATOM 0 HA THR A 56 -1.552 13.368 -7.261 1.00 0.00 H new ATOM 0 HB THR A 56 1.047 12.964 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.555 11.642 -9.420 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.793 10.979 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.419 12.225 -5.511 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.884 10.789 -6.453 1.00 0.00 H new ATOM 759 N LYS A 57 -1.230 14.484 -9.989 1.00 0.00 N ATOM 760 CA LYS A 57 -0.882 15.588 -10.876 1.00 0.00 C ATOM 761 C LYS A 57 -1.018 16.927 -10.159 1.00 0.00 C ATOM 762 O LYS A 57 -0.068 17.705 -10.089 1.00 0.00 O ATOM 763 CB LYS A 57 -1.774 15.571 -12.120 1.00 0.00 C ATOM 764 CG LYS A 57 -1.705 14.270 -12.900 1.00 0.00 C ATOM 765 CD LYS A 57 -2.942 14.068 -13.759 1.00 0.00 C ATOM 766 CE LYS A 57 -3.161 12.598 -14.084 1.00 0.00 C ATOM 767 NZ LYS A 57 -4.495 12.360 -14.702 1.00 0.00 N ATOM 0 H LYS A 57 -2.085 13.990 -10.246 1.00 0.00 H new ATOM 0 HA LYS A 57 0.157 15.463 -11.179 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.806 15.750 -11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.486 16.393 -12.775 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.818 14.271 -13.533 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.602 13.435 -12.207 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.816 14.461 -13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.840 14.635 -14.684 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.380 12.256 -14.763 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.072 12.007 -13.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.606 11.347 -14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.241 12.663 -14.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.570 12.904 -15.585 1.00 0.00 H new ATOM 781 N GLY A 58 -2.208 17.189 -9.624 1.00 0.00 N ATOM 782 CA GLY A 58 -2.445 18.434 -8.917 1.00 0.00 C ATOM 783 C GLY A 58 -2.181 18.315 -7.430 1.00 0.00 C ATOM 784 O GLY A 58 -2.792 19.018 -6.626 1.00 0.00 O ATOM 0 H GLY A 58 -3.011 16.561 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.807 19.213 -9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.477 18.748 -9.076 1.00 0.00 H new ATOM 788 N ALA A 59 -1.268 17.422 -7.062 1.00 0.00 N ATOM 789 CA ALA A 59 -0.923 17.215 -5.661 1.00 0.00 C ATOM 790 C ALA A 59 0.445 17.806 -5.338 1.00 0.00 C ATOM 791 O ALA A 59 0.616 18.482 -4.325 1.00 0.00 O ATOM 792 CB ALA A 59 -0.952 15.731 -5.325 1.00 0.00 C ATOM 0 H ALA A 59 -0.754 16.830 -7.715 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.664 17.730 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.692 15.590 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.951 15.336 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.233 15.202 -5.951 1.00 0.00 H new ATOM 798 N GLY A 60 1.417 17.544 -6.207 1.00 0.00 N ATOM 799 CA GLY A 60 2.758 18.057 -5.996 1.00 0.00 C ATOM 800 C GLY A 60 3.808 16.964 -6.024 1.00 0.00 C ATOM 801 O GLY A 60 3.722 16.030 -6.821 1.00 0.00 O ATOM 0 H GLY A 60 1.300 16.986 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.986 18.796 -6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.800 18.572 -5.036 1.00 0.00 H new ATOM 805 N THR A 61 4.805 17.081 -5.152 1.00 0.00 N ATOM 806 CA THR A 61 5.878 16.097 -5.083 1.00 0.00 C ATOM 807 C THR A 61 6.236 15.776 -3.636 1.00 0.00 C ATOM 808 O THR A 61 6.190 16.645 -2.767 1.00 0.00 O ATOM 809 CB THR A 61 7.141 16.589 -5.815 1.00 0.00 C ATOM 810 OG1 THR A 61 7.945 15.472 -6.211 1.00 0.00 O ATOM 811 CG2 THR A 61 7.955 17.517 -4.926 1.00 0.00 C ATOM 0 H THR A 61 4.891 17.847 -4.484 1.00 0.00 H new ATOM 0 HA THR A 61 5.512 15.195 -5.574 1.00 0.00 H new ATOM 0 HB THR A 61 6.828 17.142 -6.700 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.745 15.794 -6.677 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.842 17.851 -5.464 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.350 18.381 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.257 16.984 -4.024 1.00 0.00 H new ATOM 819 N GLY A 62 6.594 14.520 -3.384 1.00 0.00 N ATOM 820 CA GLY A 62 6.956 14.107 -2.041 1.00 0.00 C ATOM 821 C GLY A 62 7.241 12.621 -1.949 1.00 0.00 C ATOM 822 O GLY A 62 8.210 12.131 -2.528 1.00 0.00 O ATOM 0 H GLY A 62 6.640 13.782 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.836 14.663 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.148 14.362 -1.355 1.00 0.00 H new ATOM 826 N GLY A 63 6.396 11.902 -1.217 1.00 0.00 N ATOM 827 CA GLY A 63 6.581 10.470 -1.062 1.00 0.00 C ATOM 828 C GLY A 63 5.336 9.778 -0.544 1.00 0.00 C ATOM 829 O GLY A 63 4.885 10.047 0.571 1.00 0.00 O ATOM 0 H GLY A 63 5.587 12.285 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.861 10.037 -2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.408 10.286 -0.376 1.00 0.00 H new ATOM 833 N LEU A 64 4.777 8.885 -1.353 1.00 0.00 N ATOM 834 CA LEU A 64 3.575 8.152 -0.971 1.00 0.00 C ATOM 835 C LEU A 64 3.932 6.794 -0.375 1.00 0.00 C ATOM 836 O LEU A 64 4.757 6.062 -0.922 1.00 0.00 O ATOM 837 CB LEU A 64 2.660 7.966 -2.182 1.00 0.00 C ATOM 838 CG LEU A 64 1.253 7.445 -1.887 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.375 8.559 -1.339 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.634 6.843 -3.140 1.00 0.00 C ATOM 0 H LEU A 64 5.137 8.651 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 64 3.050 8.734 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.571 8.923 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.143 7.277 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 64 1.327 6.664 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.622 8.169 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.810 8.944 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.307 9.363 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.367 6.477 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.574 7.604 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.252 6.016 -3.489 1.00 0.00 H new ATOM 852 N GLY A 65 3.303 6.462 0.748 1.00 0.00 N ATOM 853 CA GLY A 65 3.565 5.191 1.397 1.00 0.00 C ATOM 854 C GLY A 65 2.347 4.289 1.421 1.00 0.00 C ATOM 855 O GLY A 65 1.301 4.659 1.956 1.00 0.00 O ATOM 0 H GLY A 65 2.617 7.051 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.379 4.683 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.900 5.371 2.419 1.00 0.00 H new ATOM 859 N LEU A 66 2.480 3.103 0.837 1.00 0.00 N ATOM 860 CA LEU A 66 1.381 2.145 0.791 1.00 0.00 C ATOM 861 C LEU A 66 1.728 0.880 1.570 1.00 0.00 C ATOM 862 O LEU A 66 2.735 0.226 1.297 1.00 0.00 O ATOM 863 CB LEU A 66 1.048 1.790 -0.659 1.00 0.00 C ATOM 864 CG LEU A 66 0.495 0.384 -0.896 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.776 0.167 -0.089 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.234 0.156 -2.378 1.00 0.00 C ATOM 0 H LEU A 66 3.338 2.782 0.389 1.00 0.00 H new ATOM 0 HA LEU A 66 0.509 2.607 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.321 2.512 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.951 1.909 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 66 1.240 -0.339 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.155 -0.839 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.558 0.287 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.527 0.897 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.159 -0.850 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.492 0.886 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.166 0.268 -2.933 1.00 0.00 H new ATOM 878 N THR A 67 0.885 0.539 2.540 1.00 0.00 N ATOM 879 CA THR A 67 1.102 -0.648 3.357 1.00 0.00 C ATOM 880 C THR A 67 -0.158 -1.504 3.429 1.00 0.00 C ATOM 881 O THR A 67 -1.231 -1.017 3.786 1.00 0.00 O ATOM 882 CB THR A 67 1.537 -0.274 4.787 1.00 0.00 C ATOM 883 OG1 THR A 67 0.766 0.836 5.259 1.00 0.00 O ATOM 884 CG2 THR A 67 3.017 0.075 4.828 1.00 0.00 C ATOM 0 H THR A 67 0.046 1.068 2.779 1.00 0.00 H new ATOM 0 HA THR A 67 1.899 -1.218 2.880 1.00 0.00 H new ATOM 0 HB THR A 67 1.365 -1.135 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.047 1.066 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.301 0.336 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.602 -0.782 4.496 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.209 0.922 4.170 1.00 0.00 H new ATOM 892 N VAL A 68 -0.021 -2.781 3.089 1.00 0.00 N ATOM 893 CA VAL A 68 -1.148 -3.705 3.117 1.00 0.00 C ATOM 894 C VAL A 68 -1.382 -4.244 4.524 1.00 0.00 C ATOM 895 O VAL A 68 -0.675 -5.141 4.981 1.00 0.00 O ATOM 896 CB VAL A 68 -0.928 -4.889 2.156 1.00 0.00 C ATOM 897 CG1 VAL A 68 -1.966 -5.974 2.399 1.00 0.00 C ATOM 898 CG2 VAL A 68 -0.967 -4.415 0.711 1.00 0.00 C ATOM 0 H VAL A 68 0.860 -3.200 2.791 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.025 -3.144 2.795 1.00 0.00 H new ATOM 0 HB VAL A 68 0.057 -5.314 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.795 -6.802 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.885 -6.332 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.964 -5.566 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.810 -5.264 0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.937 -3.965 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.182 -3.677 0.549 1.00 0.00 H new ATOM 908 N GLU A 69 -2.381 -3.691 5.206 1.00 0.00 N ATOM 909 CA GLU A 69 -2.708 -4.116 6.562 1.00 0.00 C ATOM 910 C GLU A 69 -3.641 -5.323 6.543 1.00 0.00 C ATOM 911 O GLU A 69 -4.339 -5.598 7.518 1.00 0.00 O ATOM 912 CB GLU A 69 -3.357 -2.968 7.338 1.00 0.00 C ATOM 913 CG GLU A 69 -2.359 -2.091 8.074 1.00 0.00 C ATOM 914 CD GLU A 69 -1.635 -2.833 9.181 1.00 0.00 C ATOM 915 OE1 GLU A 69 -2.210 -3.801 9.721 1.00 0.00 O ATOM 916 OE2 GLU A 69 -0.493 -2.445 9.507 1.00 0.00 O ATOM 0 H GLU A 69 -2.977 -2.948 4.841 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.781 -4.402 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.929 -2.351 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.065 -3.381 8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.629 -1.703 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.879 -1.232 8.497 1.00 0.00 H new ATOM 923 N GLY A 70 -3.647 -6.042 5.424 1.00 0.00 N ATOM 924 CA GLY A 70 -4.498 -7.211 5.298 1.00 0.00 C ATOM 925 C GLY A 70 -4.220 -8.248 6.367 1.00 0.00 C ATOM 926 O GLY A 70 -3.325 -8.091 7.198 1.00 0.00 O ATOM 0 H GLY A 70 -3.078 -5.836 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.542 -6.904 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.352 -7.659 4.315 1.00 0.00 H new ATOM 930 N PRO A 71 -5.002 -9.338 6.357 1.00 0.00 N ATOM 931 CA PRO A 71 -4.856 -10.426 7.328 1.00 0.00 C ATOM 932 C PRO A 71 -3.574 -11.224 7.116 1.00 0.00 C ATOM 933 O PRO A 71 -3.159 -11.993 7.985 1.00 0.00 O ATOM 934 CB PRO A 71 -6.082 -11.304 7.065 1.00 0.00 C ATOM 935 CG PRO A 71 -6.445 -11.032 5.646 1.00 0.00 C ATOM 936 CD PRO A 71 -6.089 -9.592 5.397 1.00 0.00 C ATOM 0 HA PRO A 71 -4.793 -10.054 8.350 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.854 -12.359 7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.901 -11.052 7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.900 -11.691 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.507 -11.207 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.763 -9.431 4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.939 -8.932 5.569 1.00 0.00 H new ATOM 944 N CYS A 72 -2.950 -11.036 5.958 1.00 0.00 N ATOM 945 CA CYS A 72 -1.714 -11.739 5.632 1.00 0.00 C ATOM 946 C CYS A 72 -0.766 -10.837 4.849 1.00 0.00 C ATOM 947 O CYS A 72 -1.184 -9.833 4.273 1.00 0.00 O ATOM 948 CB CYS A 72 -2.019 -13.002 4.825 1.00 0.00 C ATOM 949 SG CYS A 72 -0.633 -14.157 4.710 1.00 0.00 S ATOM 0 H CYS A 72 -3.280 -10.403 5.229 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.229 -12.022 6.566 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.868 -13.514 5.278 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.322 -12.713 3.819 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.078 -15.339 4.401 1.00 0.00 H new ATOM 955 N GLU A 73 0.512 -11.201 4.835 1.00 0.00 N ATOM 956 CA GLU A 73 1.520 -10.422 4.124 1.00 0.00 C ATOM 957 C GLU A 73 1.440 -10.672 2.621 1.00 0.00 C ATOM 958 O GLU A 73 1.776 -11.755 2.143 1.00 0.00 O ATOM 959 CB GLU A 73 2.919 -10.769 4.637 1.00 0.00 C ATOM 960 CG GLU A 73 3.934 -9.657 4.434 1.00 0.00 C ATOM 961 CD GLU A 73 5.312 -10.023 4.953 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.409 -10.461 6.119 1.00 0.00 O ATOM 963 OE2 GLU A 73 6.292 -9.871 4.195 1.00 0.00 O ATOM 0 H GLU A 73 0.874 -12.029 5.307 1.00 0.00 H new ATOM 0 HA GLU A 73 1.325 -9.366 4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.859 -11.005 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.270 -11.668 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.001 -9.420 3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.587 -8.756 4.940 1.00 0.00 H new ATOM 970 N ALA A 74 0.992 -9.662 1.882 1.00 0.00 N ATOM 971 CA ALA A 74 0.870 -9.771 0.434 1.00 0.00 C ATOM 972 C ALA A 74 1.906 -8.903 -0.271 1.00 0.00 C ATOM 973 O ALA A 74 2.163 -7.770 0.135 1.00 0.00 O ATOM 974 CB ALA A 74 -0.534 -9.383 -0.007 1.00 0.00 C ATOM 0 H ALA A 74 0.708 -8.759 2.263 1.00 0.00 H new ATOM 0 HA ALA A 74 1.054 -10.809 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.612 -9.469 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.259 -10.047 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.738 -8.355 0.291 1.00 0.00 H new ATOM 980 N LYS A 75 2.501 -9.443 -1.330 1.00 0.00 N ATOM 981 CA LYS A 75 3.510 -8.719 -2.093 1.00 0.00 C ATOM 982 C LYS A 75 2.934 -7.431 -2.673 1.00 0.00 C ATOM 983 O LYS A 75 1.735 -7.342 -2.938 1.00 0.00 O ATOM 984 CB LYS A 75 4.056 -9.599 -3.220 1.00 0.00 C ATOM 985 CG LYS A 75 5.468 -9.236 -3.645 1.00 0.00 C ATOM 986 CD LYS A 75 6.144 -10.386 -4.374 1.00 0.00 C ATOM 987 CE LYS A 75 6.738 -11.391 -3.399 1.00 0.00 C ATOM 988 NZ LYS A 75 7.231 -12.613 -4.093 1.00 0.00 N ATOM 0 H LYS A 75 2.301 -10.380 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 75 4.324 -8.459 -1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.039 -10.640 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.395 -9.522 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.440 -8.360 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.055 -8.965 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.420 -10.886 -5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.930 -9.996 -5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.560 -10.926 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.985 -11.671 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.628 -13.273 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.442 -13.071 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.968 -12.350 -4.778 1.00 0.00 H new ATOM 1002 N ILE A 76 3.795 -6.438 -2.868 1.00 0.00 N ATOM 1003 CA ILE A 76 3.370 -5.157 -3.419 1.00 0.00 C ATOM 1004 C ILE A 76 4.366 -4.647 -4.456 1.00 0.00 C ATOM 1005 O ILE A 76 5.551 -4.489 -4.166 1.00 0.00 O ATOM 1006 CB ILE A 76 3.207 -4.096 -2.315 1.00 0.00 C ATOM 1007 CG1 ILE A 76 2.334 -4.638 -1.182 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.607 -2.822 -2.890 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.428 -3.828 0.093 1.00 0.00 C ATOM 0 H ILE A 76 4.790 -6.496 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 76 2.405 -5.323 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 76 4.191 -3.860 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.296 -4.661 -1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.624 -5.667 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.498 -2.081 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.263 -2.429 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.629 -3.042 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.783 -4.270 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.459 -3.826 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.110 -2.804 -0.102 1.00 0.00 H new ATOM 1021 N GLU A 77 3.875 -4.391 -5.664 1.00 0.00 N ATOM 1022 CA GLU A 77 4.723 -3.898 -6.744 1.00 0.00 C ATOM 1023 C GLU A 77 4.342 -2.471 -7.126 1.00 0.00 C ATOM 1024 O GLU A 77 3.349 -2.247 -7.819 1.00 0.00 O ATOM 1025 CB GLU A 77 4.613 -4.812 -7.966 1.00 0.00 C ATOM 1026 CG GLU A 77 5.404 -4.320 -9.167 1.00 0.00 C ATOM 1027 CD GLU A 77 6.877 -4.670 -9.078 1.00 0.00 C ATOM 1028 OE1 GLU A 77 7.509 -4.320 -8.059 1.00 0.00 O ATOM 1029 OE2 GLU A 77 7.397 -5.292 -10.027 1.00 0.00 O ATOM 0 H GLU A 77 2.896 -4.516 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 77 5.754 -3.898 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.961 -5.809 -7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.564 -4.906 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.986 -4.753 -10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.296 -3.239 -9.251 1.00 0.00 H new ATOM 1036 N CYS A 78 5.137 -1.510 -6.668 1.00 0.00 N ATOM 1037 CA CYS A 78 4.883 -0.104 -6.961 1.00 0.00 C ATOM 1038 C CYS A 78 5.858 0.418 -8.011 1.00 0.00 C ATOM 1039 O CYS A 78 7.067 0.466 -7.780 1.00 0.00 O ATOM 1040 CB CYS A 78 4.993 0.732 -5.684 1.00 0.00 C ATOM 1041 SG CYS A 78 6.667 0.830 -5.009 1.00 0.00 S ATOM 0 H CYS A 78 5.962 -1.679 -6.093 1.00 0.00 H new ATOM 0 HA CYS A 78 3.871 -0.018 -7.357 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.637 1.741 -5.891 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.332 0.309 -4.928 1.00 0.00 H new ATOM 0 HG CYS A 78 7.531 0.684 -5.969 1.00 0.00 H new ATOM 1047 N SER A 79 5.326 0.806 -9.165 1.00 0.00 N ATOM 1048 CA SER A 79 6.150 1.320 -10.253 1.00 0.00 C ATOM 1049 C SER A 79 5.505 2.546 -10.891 1.00 0.00 C ATOM 1050 O SER A 79 4.524 2.434 -11.627 1.00 0.00 O ATOM 1051 CB SER A 79 6.368 0.236 -11.310 1.00 0.00 C ATOM 1052 OG SER A 79 7.027 0.761 -12.450 1.00 0.00 O ATOM 0 H SER A 79 4.328 0.774 -9.371 1.00 0.00 H new ATOM 0 HA SER A 79 7.114 1.613 -9.839 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.959 -0.576 -10.886 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.408 -0.188 -11.604 1.00 0.00 H new ATOM 0 HG SER A 79 7.156 0.048 -13.110 1.00 0.00 H new ATOM 1058 N ASP A 80 6.062 3.717 -10.603 1.00 0.00 N ATOM 1059 CA ASP A 80 5.543 4.966 -11.149 1.00 0.00 C ATOM 1060 C ASP A 80 5.507 4.919 -12.673 1.00 0.00 C ATOM 1061 O ASP A 80 6.340 4.269 -13.304 1.00 0.00 O ATOM 1062 CB ASP A 80 6.398 6.145 -10.682 1.00 0.00 C ATOM 1063 CG ASP A 80 7.614 6.363 -11.561 1.00 0.00 C ATOM 1064 OD1 ASP A 80 8.529 5.514 -11.529 1.00 0.00 O ATOM 1065 OD2 ASP A 80 7.650 7.382 -12.282 1.00 0.00 O ATOM 0 H ASP A 80 6.873 3.828 -9.994 1.00 0.00 H new ATOM 0 HA ASP A 80 4.525 5.099 -10.784 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.791 7.050 -10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.722 5.971 -9.656 1.00 0.00 H new ATOM 1070 N ASN A 81 4.537 5.613 -13.259 1.00 0.00 N ATOM 1071 CA ASN A 81 4.391 5.650 -14.709 1.00 0.00 C ATOM 1072 C ASN A 81 5.328 6.685 -15.324 1.00 0.00 C ATOM 1073 O ASN A 81 5.991 6.420 -16.326 1.00 0.00 O ATOM 1074 CB ASN A 81 2.943 5.966 -15.090 1.00 0.00 C ATOM 1075 CG ASN A 81 1.970 4.921 -14.579 1.00 0.00 C ATOM 1076 OD1 ASN A 81 1.492 4.078 -15.339 1.00 0.00 O ATOM 1077 ND2 ASN A 81 1.671 4.973 -13.286 1.00 0.00 N ATOM 0 H ASN A 81 3.840 6.158 -12.751 1.00 0.00 H new ATOM 0 HA ASN A 81 4.656 4.668 -15.100 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.669 6.941 -14.688 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.862 6.034 -16.175 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.021 4.297 -12.885 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.091 5.689 -12.694 1.00 0.00 H new ATOM 1084 N GLY A 82 5.378 7.866 -14.715 1.00 0.00 N ATOM 1085 CA GLY A 82 6.237 8.923 -15.216 1.00 0.00 C ATOM 1086 C GLY A 82 5.451 10.111 -15.736 1.00 0.00 C ATOM 1087 O GLY A 82 6.005 11.194 -15.928 1.00 0.00 O ATOM 0 H GLY A 82 4.839 8.109 -13.884 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.904 9.253 -14.420 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.865 8.529 -16.015 1.00 0.00 H new ATOM 1091 N ASP A 83 4.159 9.908 -15.965 1.00 0.00 N ATOM 1092 CA ASP A 83 3.295 10.972 -16.467 1.00 0.00 C ATOM 1093 C ASP A 83 2.589 11.685 -15.318 1.00 0.00 C ATOM 1094 O ASP A 83 1.922 12.699 -15.521 1.00 0.00 O ATOM 1095 CB ASP A 83 2.263 10.402 -17.442 1.00 0.00 C ATOM 1096 CG ASP A 83 1.537 11.486 -18.214 1.00 0.00 C ATOM 1097 OD1 ASP A 83 2.081 11.950 -19.238 1.00 0.00 O ATOM 1098 OD2 ASP A 83 0.426 11.872 -17.794 1.00 0.00 O ATOM 0 H ASP A 83 3.686 9.017 -15.812 1.00 0.00 H new ATOM 0 HA ASP A 83 3.918 11.696 -16.992 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.761 9.732 -18.143 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.537 9.804 -16.890 1.00 0.00 H new ATOM 1103 N GLY A 84 2.740 11.147 -14.112 1.00 0.00 N ATOM 1104 CA GLY A 84 2.110 11.745 -12.949 1.00 0.00 C ATOM 1105 C GLY A 84 1.151 10.797 -12.257 1.00 0.00 C ATOM 1106 O GLY A 84 0.388 11.203 -11.380 1.00 0.00 O ATOM 0 H GLY A 84 3.287 10.308 -13.919 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.880 12.057 -12.243 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.572 12.643 -13.253 1.00 0.00 H new ATOM 1110 N THR A 85 1.187 9.528 -12.653 1.00 0.00 N ATOM 1111 CA THR A 85 0.313 8.519 -12.067 1.00 0.00 C ATOM 1112 C THR A 85 1.118 7.349 -11.513 1.00 0.00 C ATOM 1113 O THR A 85 2.343 7.313 -11.635 1.00 0.00 O ATOM 1114 CB THR A 85 -0.701 7.988 -13.098 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.015 7.526 -14.267 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.698 9.071 -13.483 1.00 0.00 C ATOM 0 H THR A 85 1.812 9.175 -13.377 1.00 0.00 H new ATOM 0 HA THR A 85 -0.227 9.002 -11.253 1.00 0.00 H new ATOM 0 HB THR A 85 -1.246 7.159 -12.646 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.666 7.189 -14.917 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.404 8.673 -14.212 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.239 9.400 -12.596 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.166 9.917 -13.918 1.00 0.00 H new ATOM 1124 N CYS A 86 0.423 6.394 -10.906 1.00 0.00 N ATOM 1125 CA CYS A 86 1.074 5.221 -10.333 1.00 0.00 C ATOM 1126 C CYS A 86 0.264 3.959 -10.613 1.00 0.00 C ATOM 1127 O CYS A 86 -0.965 3.974 -10.560 1.00 0.00 O ATOM 1128 CB CYS A 86 1.257 5.400 -8.825 1.00 0.00 C ATOM 1129 SG CYS A 86 2.720 6.358 -8.368 1.00 0.00 S ATOM 0 H CYS A 86 -0.591 6.409 -10.798 1.00 0.00 H new ATOM 0 HA CYS A 86 2.053 5.114 -10.800 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.373 5.891 -8.418 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.319 4.417 -8.358 1.00 0.00 H new ATOM 0 HG CYS A 86 3.094 7.087 -9.377 1.00 0.00 H new ATOM 1135 N SER A 87 0.963 2.869 -10.913 1.00 0.00 N ATOM 1136 CA SER A 87 0.310 1.599 -11.208 1.00 0.00 C ATOM 1137 C SER A 87 0.804 0.503 -10.269 1.00 0.00 C ATOM 1138 O SER A 87 1.528 -0.403 -10.680 1.00 0.00 O ATOM 1139 CB SER A 87 0.565 1.195 -12.661 1.00 0.00 C ATOM 1140 OG SER A 87 -0.432 1.721 -13.520 1.00 0.00 O ATOM 0 H SER A 87 1.982 2.840 -10.958 1.00 0.00 H new ATOM 0 HA SER A 87 -0.762 1.727 -11.057 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.545 1.554 -12.975 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.582 0.108 -12.742 1.00 0.00 H new ATOM 0 HG SER A 87 -0.245 1.450 -14.443 1.00 0.00 H new ATOM 1146 N VAL A 88 0.407 0.593 -9.003 1.00 0.00 N ATOM 1147 CA VAL A 88 0.808 -0.390 -8.004 1.00 0.00 C ATOM 1148 C VAL A 88 -0.062 -1.640 -8.084 1.00 0.00 C ATOM 1149 O VAL A 88 -1.290 -1.554 -8.098 1.00 0.00 O ATOM 1150 CB VAL A 88 0.724 0.190 -6.580 1.00 0.00 C ATOM 1151 CG1 VAL A 88 1.219 -0.824 -5.560 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.518 1.485 -6.485 1.00 0.00 C ATOM 0 H VAL A 88 -0.192 1.337 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 88 1.843 -0.656 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.320 0.413 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.152 -0.396 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.604 -1.723 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.256 -1.081 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.448 1.881 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.563 1.290 -6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.113 2.213 -7.188 1.00 0.00 H new ATOM 1162 N SER A 89 0.583 -2.801 -8.135 1.00 0.00 N ATOM 1163 CA SER A 89 -0.131 -4.069 -8.216 1.00 0.00 C ATOM 1164 C SER A 89 0.289 -5.003 -7.085 1.00 0.00 C ATOM 1165 O SER A 89 1.479 -5.219 -6.853 1.00 0.00 O ATOM 1166 CB SER A 89 0.127 -4.739 -9.567 1.00 0.00 C ATOM 1167 OG SER A 89 1.516 -4.837 -9.831 1.00 0.00 O ATOM 0 H SER A 89 1.599 -2.889 -8.122 1.00 0.00 H new ATOM 0 HA SER A 89 -1.197 -3.863 -8.118 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.319 -5.734 -9.574 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.357 -4.167 -10.358 1.00 0.00 H new ATOM 0 HG SER A 89 1.654 -5.270 -10.699 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.696 -5.554 -6.384 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.430 -6.463 -5.276 1.00 0.00 C ATOM 1175 C TYR A 90 -0.978 -7.856 -5.569 1.00 0.00 C ATOM 1176 O TYR A 90 -1.827 -8.030 -6.445 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.047 -5.921 -3.985 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.552 -6.058 -3.930 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.146 -7.232 -3.486 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.379 -5.012 -4.321 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.521 -7.362 -3.434 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.754 -5.133 -4.272 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.320 -6.310 -3.828 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.690 -6.435 -3.777 1.00 0.00 O ATOM 0 H TYR A 90 -1.686 -5.387 -6.564 1.00 0.00 H new ATOM 0 HA TYR A 90 0.650 -6.537 -5.152 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.611 -6.447 -3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.782 -4.869 -3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.523 -8.058 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.939 -4.089 -4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.967 -8.282 -3.087 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.383 -4.310 -4.580 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.106 -5.604 -4.088 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.487 -8.845 -4.831 1.00 0.00 N ATOM 1195 CA LEU A 91 -0.927 -10.224 -5.010 1.00 0.00 C ATOM 1196 C LEU A 91 -1.254 -10.870 -3.667 1.00 0.00 C ATOM 1197 O LEU A 91 -0.368 -11.230 -2.891 1.00 0.00 O ATOM 1198 CB LEU A 91 0.151 -11.035 -5.730 1.00 0.00 C ATOM 1199 CG LEU A 91 0.049 -11.084 -7.255 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.412 -11.352 -7.873 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -0.953 -12.144 -7.688 1.00 0.00 C ATOM 0 H LEU A 91 0.216 -8.718 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.832 -10.215 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.125 -10.624 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.122 -12.057 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.302 -10.114 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.319 -11.383 -8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.102 -10.557 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.793 -12.308 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.013 -12.165 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.631 -13.119 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.934 -11.908 -7.275 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.556 -11.024 -3.386 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.030 -11.630 -2.138 1.00 0.00 C ATOM 1215 C PRO A 92 -2.739 -13.125 -2.072 1.00 0.00 C ATOM 1216 O PRO A 92 -2.153 -13.696 -2.993 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.540 -11.380 -2.173 1.00 0.00 C ATOM 1218 CG PRO A 92 -4.869 -11.252 -3.620 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.667 -10.619 -4.264 1.00 0.00 C ATOM 0 HA PRO A 92 -2.534 -11.206 -1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.088 -12.202 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.804 -10.475 -1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.079 -12.227 -4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.758 -10.638 -3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.523 -10.975 -5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.763 -9.535 -4.316 1.00 0.00 H new ATOM 1227 N THR A 93 -3.152 -13.757 -0.978 1.00 0.00 N ATOM 1228 CA THR A 93 -2.935 -15.186 -0.792 1.00 0.00 C ATOM 1229 C THR A 93 -4.211 -15.880 -0.328 1.00 0.00 C ATOM 1230 O THR A 93 -4.496 -17.009 -0.728 1.00 0.00 O ATOM 1231 CB THR A 93 -1.817 -15.456 0.232 1.00 0.00 C ATOM 1232 OG1 THR A 93 -1.754 -16.854 0.532 1.00 0.00 O ATOM 1233 CG2 THR A 93 -2.052 -14.667 1.511 1.00 0.00 C ATOM 0 H THR A 93 -3.639 -13.301 -0.207 1.00 0.00 H new ATOM 0 HA THR A 93 -2.636 -15.589 -1.760 1.00 0.00 H new ATOM 0 HB THR A 93 -0.871 -15.136 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.040 -17.017 1.183 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.249 -14.874 2.219 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.069 -13.601 1.283 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.006 -14.959 1.949 1.00 0.00 H new ATOM 1241 N LYS A 94 -4.976 -15.198 0.517 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.224 -15.748 1.034 1.00 0.00 C ATOM 1243 C LYS A 94 -7.346 -14.718 0.955 1.00 0.00 C ATOM 1244 O LYS A 94 -7.118 -13.510 1.012 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.041 -16.208 2.482 1.00 0.00 C ATOM 1246 CG LYS A 94 -5.654 -15.088 3.432 1.00 0.00 C ATOM 1247 CD LYS A 94 -6.878 -14.435 4.052 1.00 0.00 C ATOM 1248 CE LYS A 94 -7.504 -15.322 5.117 1.00 0.00 C ATOM 1249 NZ LYS A 94 -8.375 -14.547 6.043 1.00 0.00 N ATOM 0 H LYS A 94 -4.754 -14.263 0.859 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.497 -16.605 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.968 -16.664 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.274 -16.982 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.013 -15.483 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.073 -14.338 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.597 -13.478 4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.612 -14.225 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.090 -16.106 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.717 -15.816 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.783 -15.187 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.810 -13.815 6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.141 -14.096 5.503 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.589 -15.206 0.822 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.772 -14.344 0.735 1.00 0.00 C ATOM 1265 C PRO A 95 -10.081 -13.647 2.056 1.00 0.00 C ATOM 1266 O PRO A 95 -9.961 -14.243 3.125 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.894 -15.318 0.369 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.433 -16.638 0.884 1.00 0.00 C ATOM 1269 CD PRO A 95 -8.935 -16.635 0.748 1.00 0.00 C ATOM 0 HA PRO A 95 -9.636 -13.538 0.014 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.839 -15.023 0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.056 -15.348 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.730 -16.777 1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.875 -17.455 0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.458 -17.206 1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.616 -17.077 -0.196 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.479 -12.382 1.973 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.800 -11.625 3.169 1.00 0.00 C ATOM 1279 C GLY A 96 -11.012 -10.152 2.884 1.00 0.00 C ATOM 1280 O GLY A 96 -11.934 -9.780 2.159 1.00 0.00 O ATOM 0 H GLY A 96 -10.585 -11.867 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.700 -12.037 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.995 -11.739 3.894 1.00 0.00 H new ATOM 1284 N GLU A 97 -10.157 -9.310 3.457 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.258 -7.869 3.262 1.00 0.00 C ATOM 1286 C GLU A 97 -8.905 -7.195 3.471 1.00 0.00 C ATOM 1287 O GLU A 97 -8.297 -7.315 4.535 1.00 0.00 O ATOM 1288 CB GLU A 97 -11.290 -7.273 4.221 1.00 0.00 C ATOM 1289 CG GLU A 97 -10.941 -7.466 5.687 1.00 0.00 C ATOM 1290 CD GLU A 97 -10.697 -8.920 6.042 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -11.682 -9.683 6.132 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -9.521 -9.295 6.230 1.00 0.00 O ATOM 0 H GLU A 97 -9.387 -9.601 4.060 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.579 -7.689 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.390 -6.207 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.261 -7.727 4.025 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.051 -6.884 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.751 -7.076 6.304 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.439 -6.487 2.448 1.00 0.00 N ATOM 1300 CA TYR A 98 -7.156 -5.797 2.518 1.00 0.00 C ATOM 1301 C TYR A 98 -7.355 -4.289 2.634 1.00 0.00 C ATOM 1302 O TYR A 98 -8.169 -3.701 1.921 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.313 -6.118 1.283 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.950 -7.581 1.160 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.901 -8.524 0.790 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.657 -8.020 1.416 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.575 -9.861 0.677 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.321 -9.355 1.305 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.284 -10.272 0.935 1.00 0.00 C ATOM 1310 OH TYR A 98 -4.953 -11.603 0.825 1.00 0.00 O ATOM 0 H TYR A 98 -8.930 -6.376 1.561 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.632 -6.146 3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.860 -5.812 0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.398 -5.527 1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.913 -8.206 0.587 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.902 -7.305 1.707 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.327 -10.581 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.311 -9.679 1.507 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.763 -12.149 0.904 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.605 -3.668 3.538 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.697 -2.228 3.749 1.00 0.00 C ATOM 1322 C PHE A 99 -5.476 -1.514 3.176 1.00 0.00 C ATOM 1323 O PHE A 99 -4.371 -1.628 3.706 1.00 0.00 O ATOM 1324 CB PHE A 99 -6.829 -1.918 5.242 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.187 -2.232 5.802 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.718 -3.507 5.691 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -8.932 -1.253 6.439 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -9.968 -3.799 6.205 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.182 -1.539 6.954 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.700 -2.814 6.838 1.00 0.00 C ATOM 0 H PHE A 99 -5.927 -4.139 4.136 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.584 -1.866 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.078 -2.487 5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.612 -0.862 5.406 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.149 -4.281 5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.531 -0.255 6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.371 -4.796 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.753 -0.766 7.447 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.676 -3.040 7.242 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.684 -0.779 2.089 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.602 -0.046 1.443 1.00 0.00 C ATOM 1342 C VAL A 100 -4.372 1.301 2.117 1.00 0.00 C ATOM 1343 O VAL A 100 -5.108 2.258 1.883 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.894 0.184 -0.052 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.768 0.976 -0.700 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -5.101 -1.144 -0.764 1.00 0.00 C ATOM 0 H VAL A 100 -6.592 -0.675 1.637 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.704 -0.656 1.541 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.812 0.765 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.991 1.129 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.672 1.943 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.833 0.425 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.306 -0.963 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.202 -1.752 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.944 -1.670 -0.315 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.343 1.369 2.957 1.00 0.00 N ATOM 1357 CA ASN A 101 -3.015 2.600 3.666 1.00 0.00 C ATOM 1358 C ASN A 101 -2.254 3.563 2.760 1.00 0.00 C ATOM 1359 O ASN A 101 -1.049 3.415 2.552 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.183 2.289 4.912 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.944 1.451 5.921 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.432 1.964 6.928 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -3.048 0.154 5.655 1.00 0.00 N ATOM 0 H ASN A 101 -2.723 0.586 3.163 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.948 3.075 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.275 1.762 4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.872 3.223 5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.548 -0.460 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.628 -0.228 4.808 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.965 4.551 2.226 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.356 5.539 1.345 1.00 0.00 C ATOM 1372 C ILE A 102 -2.078 6.841 2.088 1.00 0.00 C ATOM 1373 O ILE A 102 -3.002 7.553 2.484 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.253 5.837 0.128 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.798 4.535 -0.461 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.478 6.617 -0.923 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.703 4.744 -1.655 1.00 0.00 C ATOM 0 H ILE A 102 -3.963 4.688 2.388 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.415 5.114 0.997 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.095 6.446 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.962 3.901 -0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.348 3.998 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.125 6.820 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.134 7.559 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.619 6.032 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.052 3.778 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.559 5.352 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.151 5.253 -2.445 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.799 7.149 2.273 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.398 8.367 2.968 1.00 0.00 C ATOM 1391 C LEU A 103 0.684 9.108 2.187 1.00 0.00 C ATOM 1392 O LEU A 103 1.680 8.515 1.772 1.00 0.00 O ATOM 1393 CB LEU A 103 0.108 8.034 4.372 1.00 0.00 C ATOM 1394 CG LEU A 103 0.738 6.652 4.549 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.233 6.709 4.274 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.471 6.119 5.948 1.00 0.00 C ATOM 0 H LEU A 103 -0.022 6.572 1.951 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.271 9.015 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.843 8.786 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.727 8.122 5.068 1.00 0.00 H new ATOM 0 HG LEU A 103 0.282 5.971 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.665 5.717 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.402 7.047 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.704 7.404 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.927 5.135 6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.899 6.799 6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.604 6.040 6.108 1.00 0.00 H new ATOM 1408 N PHE A 104 0.482 10.407 1.994 1.00 0.00 N ATOM 1409 CA PHE A 104 1.441 11.229 1.265 1.00 0.00 C ATOM 1410 C PHE A 104 2.282 12.065 2.225 1.00 0.00 C ATOM 1411 O PHE A 104 1.779 12.988 2.864 1.00 0.00 O ATOM 1412 CB PHE A 104 0.713 12.144 0.278 1.00 0.00 C ATOM 1413 CG PHE A 104 1.584 12.626 -0.847 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.196 11.724 -1.703 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.792 13.981 -1.048 1.00 0.00 C ATOM 1416 CE1 PHE A 104 2.998 12.164 -2.739 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.592 14.427 -2.083 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.197 13.518 -2.928 1.00 0.00 C ATOM 0 H PHE A 104 -0.337 10.913 2.332 1.00 0.00 H new ATOM 0 HA PHE A 104 2.105 10.564 0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.141 11.610 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.319 13.006 0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.044 10.664 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.324 14.697 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.468 11.451 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.744 15.486 -2.231 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.825 13.865 -3.735 1.00 0.00 H new ATOM 1428 N GLU A 105 3.566 11.732 2.321 1.00 0.00 N ATOM 1429 CA GLU A 105 4.476 12.451 3.204 1.00 0.00 C ATOM 1430 C GLU A 105 4.038 12.321 4.660 1.00 0.00 C ATOM 1431 O GLU A 105 4.018 13.302 5.402 1.00 0.00 O ATOM 1432 CB GLU A 105 4.544 13.928 2.810 1.00 0.00 C ATOM 1433 CG GLU A 105 5.209 14.170 1.466 1.00 0.00 C ATOM 1434 CD GLU A 105 5.920 15.508 1.398 1.00 0.00 C ATOM 1435 OE1 GLU A 105 5.562 16.409 2.186 1.00 0.00 O ATOM 1436 OE2 GLU A 105 6.832 15.654 0.559 1.00 0.00 O ATOM 0 H GLU A 105 3.998 10.970 1.799 1.00 0.00 H new ATOM 0 HA GLU A 105 5.467 12.009 3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.533 14.335 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.089 14.476 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.925 13.372 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.456 14.123 0.679 1.00 0.00 H new ATOM 1443 N GLU A 106 3.687 11.102 5.059 1.00 0.00 N ATOM 1444 CA GLU A 106 3.248 10.844 6.426 1.00 0.00 C ATOM 1445 C GLU A 106 1.876 11.461 6.682 1.00 0.00 C ATOM 1446 O GLU A 106 1.540 11.809 7.814 1.00 0.00 O ATOM 1447 CB GLU A 106 4.264 11.401 7.426 1.00 0.00 C ATOM 1448 CG GLU A 106 5.708 11.115 7.049 1.00 0.00 C ATOM 1449 CD GLU A 106 6.617 11.016 8.259 1.00 0.00 C ATOM 1450 OE1 GLU A 106 7.165 12.058 8.675 1.00 0.00 O ATOM 1451 OE2 GLU A 106 6.781 9.897 8.788 1.00 0.00 O ATOM 0 H GLU A 106 3.698 10.279 4.456 1.00 0.00 H new ATOM 0 HA GLU A 106 3.173 9.765 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.126 12.479 7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.063 10.977 8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.755 10.183 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.071 11.904 6.390 1.00 0.00 H new ATOM 1458 N VAL A 107 1.086 11.593 5.621 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.250 12.167 5.729 1.00 0.00 C ATOM 1460 C VAL A 107 -1.291 11.265 5.075 1.00 0.00 C ATOM 1461 O VAL A 107 -1.287 11.077 3.857 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.316 13.562 5.081 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.600 14.275 5.476 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.902 14.387 5.467 1.00 0.00 C ATOM 0 H VAL A 107 1.348 11.310 4.677 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.470 12.258 6.793 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.315 13.440 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.628 15.259 5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.458 13.690 5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.635 14.387 6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.839 15.370 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.935 14.501 6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.806 13.882 5.127 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.181 10.708 5.890 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.229 9.826 5.390 1.00 0.00 C ATOM 1476 C HIS A 108 -4.206 10.591 4.503 1.00 0.00 C ATOM 1477 O HIS A 108 -4.788 11.592 4.923 1.00 0.00 O ATOM 1478 CB HIS A 108 -3.979 9.179 6.555 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.398 7.868 6.987 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.029 6.660 6.777 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.237 7.579 7.619 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.282 5.685 7.262 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.188 6.216 7.778 1.00 0.00 N ATOM 0 H HIS A 108 -2.197 10.852 6.900 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.758 9.046 4.792 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -3.978 9.864 7.403 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.020 9.029 6.268 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.488 8.288 7.939 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.524 4.633 7.240 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.430 5.698 8.222 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.381 10.114 3.275 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.287 10.754 2.330 1.00 0.00 C ATOM 1494 C ILE A 109 -6.743 10.509 2.712 1.00 0.00 C ATOM 1495 O ILE A 109 -7.087 9.503 3.334 1.00 0.00 O ATOM 1496 CB ILE A 109 -5.053 10.247 0.894 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.506 8.791 0.764 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.587 10.387 0.516 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.675 8.336 -0.668 1.00 0.00 C ATOM 0 H ILE A 109 -3.907 9.287 2.912 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.079 11.823 2.368 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.644 10.854 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.778 8.147 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.452 8.665 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.437 10.025 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.295 11.435 0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.977 9.801 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.997 7.295 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.425 8.955 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.725 8.429 -1.194 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.621 11.449 2.332 1.00 0.00 N ATOM 1512 CA PRO A 110 -9.055 11.357 2.623 1.00 0.00 C ATOM 1513 C PRO A 110 -9.739 10.254 1.821 1.00 0.00 C ATOM 1514 O PRO A 110 -10.377 10.519 0.803 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.590 12.730 2.208 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.623 13.220 1.186 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.282 12.674 1.589 1.00 0.00 C ATOM 0 HA PRO A 110 -9.244 11.109 3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.597 12.655 1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.643 13.408 3.060 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.901 12.876 0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.607 14.309 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.659 12.458 0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.731 13.380 2.209 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.602 9.017 2.288 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.213 7.893 1.603 1.00 0.00 C ATOM 1527 C GLY A 111 -9.595 6.567 1.999 1.00 0.00 C ATOM 1528 O GLY A 111 -10.186 5.510 1.782 1.00 0.00 O ATOM 0 H GLY A 111 -9.079 8.773 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.280 7.873 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.113 8.030 0.526 1.00 0.00 H new ATOM 1532 N SER A 112 -8.401 6.622 2.581 1.00 0.00 N ATOM 1533 CA SER A 112 -7.700 5.415 3.003 1.00 0.00 C ATOM 1534 C SER A 112 -7.804 5.228 4.514 1.00 0.00 C ATOM 1535 O SER A 112 -7.995 6.179 5.272 1.00 0.00 O ATOM 1536 CB SER A 112 -6.230 5.481 2.586 1.00 0.00 C ATOM 1537 OG SER A 112 -5.397 4.861 3.550 1.00 0.00 O ATOM 0 H SER A 112 -7.899 7.489 2.771 1.00 0.00 H new ATOM 0 HA SER A 112 -8.170 4.561 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.101 4.992 1.621 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.931 6.522 2.459 1.00 0.00 H new ATOM 0 HG SER A 112 -4.756 5.515 3.897 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.674 3.971 4.963 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.446 2.830 4.071 1.00 0.00 C ATOM 1545 C PRO A 113 -8.670 2.505 3.222 1.00 0.00 C ATOM 1546 O PRO A 113 -9.798 2.840 3.586 1.00 0.00 O ATOM 1547 CB PRO A 113 -7.142 1.680 5.034 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.814 2.065 6.307 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.740 3.565 6.377 1.00 0.00 C ATOM 0 HA PRO A 113 -6.647 3.026 3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.526 0.733 4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.068 1.555 5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.849 1.724 6.320 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.317 1.609 7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.612 3.987 6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.863 3.898 6.932 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.442 1.849 2.089 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.527 1.479 1.188 1.00 0.00 C ATOM 1559 C PHE A 114 -9.808 -0.019 1.263 1.00 0.00 C ATOM 1560 O PHE A 114 -9.187 -0.816 0.560 1.00 0.00 O ATOM 1561 CB PHE A 114 -9.182 1.873 -0.250 1.00 0.00 C ATOM 1562 CG PHE A 114 -9.314 3.345 -0.516 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -8.303 4.221 -0.156 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -10.450 3.852 -1.126 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.422 5.577 -0.400 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.574 5.206 -1.373 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.560 6.070 -1.008 1.00 0.00 C ATOM 0 H PHE A 114 -7.515 1.563 1.773 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.423 2.016 1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -8.160 1.563 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.833 1.328 -0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.412 3.841 0.321 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -11.247 3.182 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.626 6.250 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.464 5.589 -1.851 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.657 7.129 -1.198 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.750 -0.396 2.121 1.00 0.00 N ATOM 1578 CA LYS A 115 -11.117 -1.797 2.290 1.00 0.00 C ATOM 1579 C LYS A 115 -11.450 -2.438 0.946 1.00 0.00 C ATOM 1580 O LYS A 115 -12.359 -1.995 0.246 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.312 -1.923 3.237 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.676 -3.359 3.570 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.430 -3.453 4.886 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.859 -2.950 4.747 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.701 -3.345 5.910 1.00 0.00 N ATOM 0 H LYS A 115 -11.274 0.250 2.711 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.264 -2.320 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.090 -1.390 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.175 -1.434 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -13.287 -3.775 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.769 -3.962 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.439 -4.488 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -12.910 -2.870 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.854 -1.864 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.296 -3.347 3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.667 -2.984 5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.726 -4.382 5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.298 -2.946 6.782 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.708 -3.483 0.594 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.927 -4.186 -0.664 1.00 0.00 C ATOM 1601 C ALA A 116 -11.354 -5.629 -0.418 1.00 0.00 C ATOM 1602 O ALA A 116 -10.548 -6.463 -0.004 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.669 -4.143 -1.519 1.00 0.00 C ATOM 0 H ALA A 116 -9.950 -3.861 1.162 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.732 -3.682 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.847 -4.672 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.409 -3.106 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.848 -4.620 -0.983 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.625 -5.917 -0.676 1.00 0.00 N ATOM 1610 CA ASP A 117 -13.159 -7.261 -0.483 1.00 0.00 C ATOM 1611 C ASP A 117 -12.651 -8.207 -1.566 1.00 0.00 C ATOM 1612 O ASP A 117 -12.994 -8.064 -2.740 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.688 -7.231 -0.490 1.00 0.00 C ATOM 1614 CG ASP A 117 -15.267 -6.917 0.876 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -15.150 -7.771 1.779 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.838 -5.819 1.041 1.00 0.00 O ATOM 0 H ASP A 117 -13.305 -5.238 -1.019 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.816 -7.627 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -15.031 -6.485 -1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -15.066 -8.196 -0.829 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.832 -9.174 -1.164 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.278 -10.143 -2.100 1.00 0.00 C ATOM 1623 C ILE A 118 -12.121 -11.413 -2.140 1.00 0.00 C ATOM 1624 O ILE A 118 -12.525 -11.934 -1.101 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.829 -10.514 -1.735 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.916 -9.295 -1.877 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.337 -11.656 -2.611 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.721 -8.850 -3.310 1.00 0.00 C ATOM 0 H ILE A 118 -11.538 -9.306 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.287 -9.672 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.805 -10.843 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.334 -8.469 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.944 -9.526 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.311 -11.906 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.974 -12.528 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.373 -11.353 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.063 -7.981 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.274 -9.661 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.686 -8.587 -3.744 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.382 -11.907 -3.347 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.177 -13.117 -3.521 1.00 0.00 C ATOM 1642 C GLU A 119 -12.311 -14.268 -4.026 1.00 0.00 C ATOM 1643 O GLU A 119 -11.213 -14.054 -4.538 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.327 -12.862 -4.498 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.216 -11.696 -4.100 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.185 -11.300 -5.197 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -16.966 -12.169 -5.640 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -16.162 -10.123 -5.614 1.00 0.00 O ATOM 0 H GLU A 119 -12.055 -11.488 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.589 -13.394 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.915 -12.672 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.936 -13.763 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.777 -11.961 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.592 -10.839 -3.845 1.00 0.00 H new ATOM 1655 N MET A 120 -12.815 -15.489 -3.877 1.00 0.00 N ATOM 1656 CA MET A 120 -12.089 -16.674 -4.319 1.00 0.00 C ATOM 1657 C MET A 120 -12.320 -16.931 -5.805 1.00 0.00 C ATOM 1658 O MET A 120 -13.442 -16.849 -6.306 1.00 0.00 O ATOM 1659 CB MET A 120 -12.520 -17.895 -3.505 1.00 0.00 C ATOM 1660 CG MET A 120 -11.992 -17.892 -2.079 1.00 0.00 C ATOM 1661 SD MET A 120 -12.477 -19.363 -1.156 1.00 0.00 S ATOM 1662 CE MET A 120 -10.918 -19.818 -0.401 1.00 0.00 C ATOM 0 H MET A 120 -13.723 -15.683 -3.454 1.00 0.00 H new ATOM 0 HA MET A 120 -11.025 -16.498 -4.161 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.609 -17.939 -3.481 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.176 -18.798 -4.009 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.904 -17.822 -2.099 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.359 -17.006 -1.562 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.704 -20.866 -0.611 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.121 -19.196 -0.809 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.979 -19.669 0.677 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.236 -17.250 -6.527 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.296 -17.526 -7.965 1.00 0.00 C ATOM 1674 C PRO A 121 -12.009 -18.838 -8.275 1.00 0.00 C ATOM 1675 O PRO A 121 -12.156 -19.696 -7.404 1.00 0.00 O ATOM 1676 CB PRO A 121 -9.823 -17.608 -8.373 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.107 -18.000 -7.126 1.00 0.00 C ATOM 1678 CD PRO A 121 -9.868 -17.366 -5.995 1.00 0.00 C ATOM 0 HA PRO A 121 -11.859 -16.763 -8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.671 -18.342 -9.164 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.463 -16.652 -8.752 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.078 -19.084 -7.017 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.074 -17.653 -7.144 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.837 -17.981 -5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.456 -16.392 -5.730 1.00 0.00 H new