USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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 29 GLN : amide:sc= -0.255! C(o=-0.31!,f=-4.2!) USER MOD Set 1.2: A 51 TYR OH : rot 45:sc= -0.0569 USER MOD Set 2.1: A 41 THR OG1 : rot -61:sc= 2.11 USER MOD Set 2.2: A 78 LYS NZ :NH3+ 176:sc= 1.26 (180deg=0) USER MOD Set 3.1: A 32 SER OG : rot 151:sc= 1.15 USER MOD Set 3.2: A 55 GLN : amide:sc= 0.783 K(o=1.9,f=-1.1!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 1.25 (180deg=1.1) USER MOD Single : A 31 SER OG : rot -45:sc= 0.815 USER MOD Single : A 35 HIS : no HD1:sc= 0.566 K(o=0.57,f=-5.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -160:sc= -1.01! (180deg=-2.35!) USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00413 USER MOD Single : A 43 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.08) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.03) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 30:sc= 0.542 USER MOD Single : A 53 GLN : amide:sc= -2.14! C(o=-2.1!,f=-3!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.328 K(o=0.33,f=-2.7!) USER MOD Single : A 61 SER OG : rot -76:sc= 0.488 USER MOD Single : A 69 GLN : amide:sc= 0.292 X(o=0.29,f=-0.0092) USER MOD Single : A 74 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.2!) USER MOD Single : A 75 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.5!) USER MOD Single : A 76 THR OG1 : rot -101:sc= 0.431 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.173 K(o=-0.17,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 79.651 9.752 -12.560 1.00 0.00 N ATOM 291 CA TYR A 21 79.382 8.403 -12.066 1.00 0.00 C ATOM 292 C TYR A 21 78.157 8.380 -11.152 1.00 0.00 C ATOM 293 O TYR A 21 77.863 9.356 -10.461 1.00 0.00 O ATOM 294 CB TYR A 21 80.612 7.850 -11.328 1.00 0.00 C ATOM 295 CG TYR A 21 81.109 8.724 -10.193 1.00 0.00 C ATOM 296 CD1 TYR A 21 80.641 8.546 -8.895 1.00 0.00 C ATOM 297 CD2 TYR A 21 82.055 9.720 -10.416 1.00 0.00 C ATOM 298 CE1 TYR A 21 81.100 9.333 -7.856 1.00 0.00 C ATOM 299 CE2 TYR A 21 82.516 10.510 -9.382 1.00 0.00 C ATOM 300 CZ TYR A 21 82.036 10.313 -8.104 1.00 0.00 C ATOM 301 OH TYR A 21 82.501 11.091 -7.070 1.00 0.00 O ATOM 0 HA TYR A 21 79.170 7.767 -12.925 1.00 0.00 H new ATOM 0 HB2 TYR A 21 80.369 6.864 -10.931 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.421 7.714 -12.046 1.00 0.00 H new ATOM 0 HD1 TYR A 21 79.906 7.780 -8.696 1.00 0.00 H new ATOM 0 HD2 TYR A 21 82.435 9.878 -11.415 1.00 0.00 H new ATOM 0 HE1 TYR A 21 80.727 9.181 -6.854 1.00 0.00 H new ATOM 0 HE2 TYR A 21 83.250 11.279 -9.573 1.00 0.00 H new ATOM 0 HH TYR A 21 83.157 11.733 -7.413 1.00 0.00 H new ATOM 311 N ILE A 22 77.440 7.261 -11.164 1.00 0.00 N ATOM 312 CA ILE A 22 76.250 7.102 -10.336 1.00 0.00 C ATOM 313 C ILE A 22 76.524 6.151 -9.171 1.00 0.00 C ATOM 314 O ILE A 22 77.283 5.191 -9.307 1.00 0.00 O ATOM 315 CB ILE A 22 75.044 6.568 -11.147 1.00 0.00 C ATOM 316 CG1 ILE A 22 75.291 6.691 -12.661 1.00 0.00 C ATOM 317 CG2 ILE A 22 73.774 7.303 -10.745 1.00 0.00 C ATOM 318 CD1 ILE A 22 74.990 8.064 -13.236 1.00 0.00 C ATOM 0 H ILE A 22 77.663 6.449 -11.740 1.00 0.00 H new ATOM 0 HA ILE A 22 76.000 8.093 -9.956 1.00 0.00 H new ATOM 0 HB ILE A 22 74.922 5.509 -10.919 1.00 0.00 H new ATOM 0 HG12 ILE A 22 76.332 6.444 -12.868 1.00 0.00 H new ATOM 0 HG13 ILE A 22 74.679 5.952 -13.178 1.00 0.00 H new ATOM 0 HG21 ILE A 22 72.933 6.919 -11.322 1.00 0.00 H new ATOM 0 HG22 ILE A 22 73.585 7.149 -9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 22 73.892 8.368 -10.942 1.00 0.00 H new ATOM 0 HD11 ILE A 22 75.191 8.062 -14.307 1.00 0.00 H new ATOM 0 HD12 ILE A 22 73.942 8.309 -13.064 1.00 0.00 H new ATOM 0 HD13 ILE A 22 75.621 8.808 -12.750 1.00 0.00 H new ATOM 330 N LYS A 23 75.906 6.424 -8.028 1.00 0.00 N ATOM 331 CA LYS A 23 76.091 5.592 -6.840 1.00 0.00 C ATOM 332 C LYS A 23 75.113 4.417 -6.827 1.00 0.00 C ATOM 333 O LYS A 23 73.959 4.558 -6.421 1.00 0.00 O ATOM 334 CB LYS A 23 75.917 6.430 -5.568 1.00 0.00 C ATOM 335 CG LYS A 23 76.593 7.793 -5.631 1.00 0.00 C ATOM 336 CD LYS A 23 77.679 7.925 -4.575 1.00 0.00 C ATOM 337 CE LYS A 23 78.202 9.351 -4.488 1.00 0.00 C ATOM 338 NZ LYS A 23 77.538 10.120 -3.399 1.00 0.00 N ATOM 0 H LYS A 23 75.273 7.213 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 23 77.105 5.192 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 23 74.853 6.571 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.319 5.875 -4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 23 77.026 7.940 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 23 75.849 8.577 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 23 77.284 7.621 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 23 78.501 7.249 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 23 79.278 9.333 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 23 78.040 9.856 -5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 77.922 11.086 -3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 76.514 10.159 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 77.714 9.652 -2.487 1.00 0.00 H new ATOM 352 N LEU A 24 75.580 3.257 -7.276 1.00 0.00 N ATOM 353 CA LEU A 24 74.749 2.056 -7.315 1.00 0.00 C ATOM 354 C LEU A 24 74.868 1.273 -6.007 1.00 0.00 C ATOM 355 O LEU A 24 75.973 1.016 -5.522 1.00 0.00 O ATOM 356 CB LEU A 24 75.156 1.165 -8.495 1.00 0.00 C ATOM 357 CG LEU A 24 74.620 1.605 -9.860 1.00 0.00 C ATOM 358 CD1 LEU A 24 75.749 2.128 -10.733 1.00 0.00 C ATOM 359 CD2 LEU A 24 73.907 0.451 -10.548 1.00 0.00 C ATOM 0 H LEU A 24 76.531 3.121 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 24 73.711 2.364 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 24 76.244 1.130 -8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 24 74.813 0.149 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 24 73.903 2.411 -9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 24 75.349 2.436 -11.699 1.00 0.00 H new ATOM 0 HD12 LEU A 24 76.220 2.982 -10.246 1.00 0.00 H new ATOM 0 HD13 LEU A 24 76.489 1.341 -10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 24 73.532 0.781 -11.517 1.00 0.00 H new ATOM 0 HD22 LEU A 24 74.604 -0.374 -10.691 1.00 0.00 H new ATOM 0 HD23 LEU A 24 73.073 0.119 -9.930 1.00 0.00 H new ATOM 371 N LYS A 25 73.727 0.896 -5.436 1.00 0.00 N ATOM 372 CA LYS A 25 73.713 0.145 -4.184 1.00 0.00 C ATOM 373 C LYS A 25 73.154 -1.259 -4.395 1.00 0.00 C ATOM 374 O LYS A 25 72.030 -1.432 -4.870 1.00 0.00 O ATOM 375 CB LYS A 25 72.883 0.883 -3.129 1.00 0.00 C ATOM 376 CG LYS A 25 73.701 1.709 -2.150 1.00 0.00 C ATOM 377 CD LYS A 25 72.916 2.915 -1.656 1.00 0.00 C ATOM 378 CE LYS A 25 73.523 3.514 -0.395 1.00 0.00 C ATOM 379 NZ LYS A 25 72.588 3.439 0.761 1.00 0.00 N ATOM 0 H LYS A 25 72.803 1.097 -5.819 1.00 0.00 H new ATOM 0 HA LYS A 25 74.741 0.058 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 25 72.175 1.539 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 25 72.298 0.153 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 25 73.992 1.089 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.620 2.043 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 25 72.885 3.673 -2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.886 2.620 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 25 74.445 2.987 -0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 25 73.790 4.555 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 72.754 4.247 1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 71.607 3.465 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 72.749 2.552 1.280 1.00 0.00 H new ATOM 393 N VAL A 26 73.948 -2.264 -4.046 1.00 0.00 N ATOM 394 CA VAL A 26 73.532 -3.654 -4.187 1.00 0.00 C ATOM 395 C VAL A 26 73.301 -4.295 -2.818 1.00 0.00 C ATOM 396 O VAL A 26 74.162 -4.228 -1.935 1.00 0.00 O ATOM 397 CB VAL A 26 74.572 -4.477 -4.985 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.226 -5.960 -4.980 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.674 -3.964 -6.414 1.00 0.00 C ATOM 0 H VAL A 26 74.885 -2.142 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 26 72.594 -3.657 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 26 75.539 -4.355 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 26 74.975 -6.510 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 26 74.208 -6.326 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.246 -6.107 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.410 -4.554 -6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 26 73.703 -4.052 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 26 74.982 -2.919 -6.404 1.00 0.00 H new ATOM 409 N ILE A 27 72.131 -4.909 -2.645 1.00 0.00 N ATOM 410 CA ILE A 27 71.779 -5.557 -1.381 1.00 0.00 C ATOM 411 C ILE A 27 72.096 -7.051 -1.423 1.00 0.00 C ATOM 412 O ILE A 27 71.536 -7.799 -2.231 1.00 0.00 O ATOM 413 CB ILE A 27 70.280 -5.365 -1.034 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.937 -3.883 -0.824 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.909 -6.164 0.211 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.498 -3.548 -1.149 1.00 0.00 C ATOM 0 H ILE A 27 71.410 -4.972 -3.364 1.00 0.00 H new ATOM 0 HA ILE A 27 72.380 -5.080 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 27 69.700 -5.733 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 27 70.140 -3.614 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.593 -3.274 -1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.853 -6.016 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.097 -7.223 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.512 -5.825 1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 27 68.324 -2.485 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 27 68.296 -3.786 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 27 67.835 -4.131 -0.509 1.00 0.00 H new ATOM 428 N GLY A 28 72.999 -7.480 -0.546 1.00 0.00 N ATOM 429 CA GLY A 28 73.376 -8.881 -0.486 1.00 0.00 C ATOM 430 C GLY A 28 72.432 -9.703 0.377 1.00 0.00 C ATOM 431 O GLY A 28 71.747 -9.168 1.249 1.00 0.00 O ATOM 0 H GLY A 28 73.478 -6.880 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 28 73.392 -9.293 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.389 -8.965 -0.092 1.00 0.00 H new ATOM 435 N GLN A 29 72.420 -11.014 0.150 1.00 0.00 N ATOM 436 CA GLN A 29 71.551 -11.927 0.900 1.00 0.00 C ATOM 437 C GLN A 29 71.995 -12.076 2.362 1.00 0.00 C ATOM 438 O GLN A 29 71.241 -12.567 3.200 1.00 0.00 O ATOM 439 CB GLN A 29 71.512 -13.302 0.218 1.00 0.00 C ATOM 440 CG GLN A 29 72.885 -13.863 -0.129 1.00 0.00 C ATOM 441 CD GLN A 29 73.340 -13.479 -1.524 1.00 0.00 C ATOM 442 OE1 GLN A 29 73.987 -12.451 -1.719 1.00 0.00 O ATOM 443 NE2 GLN A 29 73.002 -14.300 -2.502 1.00 0.00 N ATOM 0 H GLN A 29 73.004 -11.473 -0.550 1.00 0.00 H new ATOM 0 HA GLN A 29 70.550 -11.495 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 29 70.999 -14.006 0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 29 70.921 -13.226 -0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 29 73.614 -13.504 0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 29 72.860 -14.950 -0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 29 72.465 -15.143 -2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 29 73.278 -14.091 -3.461 1.00 0.00 H new ATOM 452 N ASP A 30 73.218 -11.645 2.663 1.00 0.00 N ATOM 453 CA ASP A 30 73.749 -11.725 4.023 1.00 0.00 C ATOM 454 C ASP A 30 73.635 -10.374 4.741 1.00 0.00 C ATOM 455 O ASP A 30 74.412 -10.083 5.653 1.00 0.00 O ATOM 456 CB ASP A 30 75.209 -12.184 3.989 1.00 0.00 C ATOM 457 CG ASP A 30 75.454 -13.403 4.857 1.00 0.00 C ATOM 458 OD1 ASP A 30 75.184 -13.331 6.075 1.00 0.00 O ATOM 459 OD2 ASP A 30 75.917 -14.431 4.318 1.00 0.00 O ATOM 0 H ASP A 30 73.860 -11.237 1.984 1.00 0.00 H new ATOM 0 HA ASP A 30 73.157 -12.453 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.491 -12.411 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.851 -11.369 4.323 1.00 0.00 H new ATOM 464 N SER A 31 72.662 -9.558 4.317 1.00 0.00 N ATOM 465 CA SER A 31 72.428 -8.226 4.896 1.00 0.00 C ATOM 466 C SER A 31 73.629 -7.302 4.670 1.00 0.00 C ATOM 467 O SER A 31 74.014 -6.528 5.549 1.00 0.00 O ATOM 468 CB SER A 31 72.108 -8.331 6.396 1.00 0.00 C ATOM 469 OG SER A 31 71.827 -7.057 6.949 1.00 0.00 O ATOM 0 H SER A 31 72.016 -9.800 3.566 1.00 0.00 H new ATOM 0 HA SER A 31 71.567 -7.792 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 31 71.253 -8.991 6.543 1.00 0.00 H new ATOM 0 HB3 SER A 31 72.952 -8.780 6.920 1.00 0.00 H new ATOM 0 HG SER A 31 72.495 -6.411 6.638 1.00 0.00 H new ATOM 475 N SER A 32 74.205 -7.383 3.476 1.00 0.00 N ATOM 476 CA SER A 32 75.365 -6.568 3.122 1.00 0.00 C ATOM 477 C SER A 32 75.000 -5.492 2.100 1.00 0.00 C ATOM 478 O SER A 32 74.160 -5.708 1.228 1.00 0.00 O ATOM 479 CB SER A 32 76.476 -7.456 2.558 1.00 0.00 C ATOM 480 OG SER A 32 75.935 -8.575 1.871 1.00 0.00 O ATOM 0 H SER A 32 73.888 -8.006 2.734 1.00 0.00 H new ATOM 0 HA SER A 32 75.714 -6.073 4.028 1.00 0.00 H new ATOM 0 HB2 SER A 32 77.101 -6.876 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 32 77.119 -7.799 3.369 1.00 0.00 H new ATOM 0 HG SER A 32 76.549 -8.850 1.159 1.00 0.00 H new ATOM 486 N GLU A 33 75.640 -4.332 2.216 1.00 0.00 N ATOM 487 CA GLU A 33 75.393 -3.221 1.299 1.00 0.00 C ATOM 488 C GLU A 33 76.693 -2.764 0.638 1.00 0.00 C ATOM 489 O GLU A 33 77.566 -2.196 1.294 1.00 0.00 O ATOM 490 CB GLU A 33 74.744 -2.050 2.044 1.00 0.00 C ATOM 491 CG GLU A 33 73.963 -1.107 1.141 1.00 0.00 C ATOM 492 CD GLU A 33 73.899 0.309 1.683 1.00 0.00 C ATOM 493 OE1 GLU A 33 74.964 0.869 2.023 1.00 0.00 O ATOM 494 OE2 GLU A 33 72.782 0.868 1.758 1.00 0.00 O ATOM 0 H GLU A 33 76.335 -4.136 2.937 1.00 0.00 H new ATOM 0 HA GLU A 33 74.712 -3.567 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.074 -2.444 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 33 75.520 -1.485 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 33 74.424 -1.092 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.950 -1.489 1.014 1.00 0.00 H new ATOM 501 N ILE A 34 76.820 -3.013 -0.662 1.00 0.00 N ATOM 502 CA ILE A 34 78.025 -2.626 -1.395 1.00 0.00 C ATOM 503 C ILE A 34 77.788 -1.359 -2.222 1.00 0.00 C ATOM 504 O ILE A 34 76.729 -1.191 -2.828 1.00 0.00 O ATOM 505 CB ILE A 34 78.543 -3.747 -2.333 1.00 0.00 C ATOM 506 CG1 ILE A 34 77.744 -5.052 -2.152 1.00 0.00 C ATOM 507 CG2 ILE A 34 80.030 -3.982 -2.099 1.00 0.00 C ATOM 508 CD1 ILE A 34 78.251 -5.947 -1.036 1.00 0.00 C ATOM 0 H ILE A 34 76.110 -3.478 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 34 78.785 -2.437 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 34 78.398 -3.420 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 34 76.702 -4.801 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 34 77.766 -5.610 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.383 -4.771 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 34 80.580 -3.063 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.193 -4.280 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 34 77.632 -6.842 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 34 79.283 -6.232 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 34 78.202 -5.410 -0.089 1.00 0.00 H new ATOM 520 N HIS A 35 78.782 -0.473 -2.232 1.00 0.00 N ATOM 521 CA HIS A 35 78.684 0.788 -2.973 1.00 0.00 C ATOM 522 C HIS A 35 79.508 0.742 -4.258 1.00 0.00 C ATOM 523 O HIS A 35 80.729 0.590 -4.217 1.00 0.00 O ATOM 524 CB HIS A 35 79.162 1.959 -2.105 1.00 0.00 C ATOM 525 CG HIS A 35 78.254 2.290 -0.957 1.00 0.00 C ATOM 526 ND1 HIS A 35 78.388 3.433 -0.198 1.00 0.00 N ATOM 527 CD2 HIS A 35 77.202 1.620 -0.429 1.00 0.00 C ATOM 528 CE1 HIS A 35 77.464 3.450 0.745 1.00 0.00 C ATOM 529 NE2 HIS A 35 76.729 2.361 0.627 1.00 0.00 N ATOM 0 H HIS A 35 79.664 -0.602 -1.737 1.00 0.00 H new ATOM 0 HA HIS A 35 77.636 0.933 -3.235 1.00 0.00 H new ATOM 0 HB2 HIS A 35 80.152 1.725 -1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 35 79.269 2.842 -2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 35 76.807 0.676 -0.775 1.00 0.00 H new ATOM 0 HE1 HIS A 35 77.332 4.224 1.487 1.00 0.00 H new ATOM 0 HE2 HIS A 35 75.939 2.110 1.222 1.00 0.00 H new ATOM 537 N PHE A 36 78.835 0.877 -5.398 1.00 0.00 N ATOM 538 CA PHE A 36 79.514 0.854 -6.692 1.00 0.00 C ATOM 539 C PHE A 36 79.331 2.178 -7.433 1.00 0.00 C ATOM 540 O PHE A 36 78.224 2.531 -7.836 1.00 0.00 O ATOM 541 CB PHE A 36 78.993 -0.304 -7.549 1.00 0.00 C ATOM 542 CG PHE A 36 79.212 -1.655 -6.927 1.00 0.00 C ATOM 543 CD1 PHE A 36 78.169 -2.559 -6.821 1.00 0.00 C ATOM 544 CD2 PHE A 36 80.460 -2.018 -6.447 1.00 0.00 C ATOM 545 CE1 PHE A 36 78.366 -3.799 -6.246 1.00 0.00 C ATOM 546 CE2 PHE A 36 80.662 -3.256 -5.872 1.00 0.00 C ATOM 547 CZ PHE A 36 79.615 -4.148 -5.772 1.00 0.00 C ATOM 0 H PHE A 36 77.824 1.003 -5.453 1.00 0.00 H new ATOM 0 HA PHE A 36 80.579 0.709 -6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 36 77.927 -0.163 -7.727 1.00 0.00 H new ATOM 0 HB3 PHE A 36 79.485 -0.276 -8.521 1.00 0.00 H new ATOM 0 HD1 PHE A 36 77.191 -2.292 -7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 36 81.284 -1.324 -6.524 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.544 -4.495 -6.167 1.00 0.00 H new ATOM 0 HE2 PHE A 36 81.639 -3.526 -5.501 1.00 0.00 H new ATOM 0 HZ PHE A 36 79.772 -5.118 -5.324 1.00 0.00 H new ATOM 557 N LYS A 37 80.427 2.908 -7.610 1.00 0.00 N ATOM 558 CA LYS A 37 80.391 4.196 -8.300 1.00 0.00 C ATOM 559 C LYS A 37 80.884 4.067 -9.743 1.00 0.00 C ATOM 560 O LYS A 37 82.078 4.189 -10.014 1.00 0.00 O ATOM 561 CB LYS A 37 81.235 5.223 -7.543 1.00 0.00 C ATOM 562 CG LYS A 37 80.615 5.681 -6.231 1.00 0.00 C ATOM 563 CD LYS A 37 81.435 5.221 -5.036 1.00 0.00 C ATOM 564 CE LYS A 37 80.858 5.741 -3.730 1.00 0.00 C ATOM 565 NZ LYS A 37 81.275 7.143 -3.455 1.00 0.00 N ATOM 0 H LYS A 37 81.353 2.631 -7.285 1.00 0.00 H new ATOM 0 HA LYS A 37 79.355 4.535 -8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 37 82.216 4.794 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.393 6.092 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 37 80.538 6.768 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.601 5.289 -6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 37 81.466 4.132 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 37 82.463 5.567 -5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 37 79.770 5.687 -3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 37 81.181 5.099 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 80.860 7.459 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 82.312 7.191 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 80.945 7.761 -4.224 1.00 0.00 H new ATOM 579 N VAL A 38 79.954 3.822 -10.662 1.00 0.00 N ATOM 580 CA VAL A 38 80.290 3.673 -12.080 1.00 0.00 C ATOM 581 C VAL A 38 79.277 4.395 -12.970 1.00 0.00 C ATOM 582 O VAL A 38 78.350 5.039 -12.476 1.00 0.00 O ATOM 583 CB VAL A 38 80.355 2.185 -12.504 1.00 0.00 C ATOM 584 CG1 VAL A 38 81.760 1.631 -12.311 1.00 0.00 C ATOM 585 CG2 VAL A 38 79.337 1.351 -11.738 1.00 0.00 C ATOM 0 H VAL A 38 78.961 3.722 -10.453 1.00 0.00 H new ATOM 0 HA VAL A 38 81.275 4.122 -12.210 1.00 0.00 H new ATOM 0 HB VAL A 38 80.106 2.127 -13.564 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.783 0.584 -12.615 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.463 2.201 -12.919 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.041 1.710 -11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.405 0.311 -12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 38 79.542 1.418 -10.670 1.00 0.00 H new ATOM 0 HG23 VAL A 38 78.334 1.727 -11.939 1.00 0.00 H new ATOM 595 N LYS A 39 79.459 4.294 -14.282 1.00 0.00 N ATOM 596 CA LYS A 39 78.552 4.936 -15.233 1.00 0.00 C ATOM 597 C LYS A 39 77.288 4.095 -15.440 1.00 0.00 C ATOM 598 O LYS A 39 77.286 2.891 -15.194 1.00 0.00 O ATOM 599 CB LYS A 39 79.255 5.162 -16.573 1.00 0.00 C ATOM 600 CG LYS A 39 79.272 6.619 -17.013 1.00 0.00 C ATOM 601 CD LYS A 39 80.476 6.924 -17.891 1.00 0.00 C ATOM 602 CE LYS A 39 80.606 8.415 -18.160 1.00 0.00 C ATOM 603 NZ LYS A 39 81.405 9.102 -17.108 1.00 0.00 N ATOM 0 H LYS A 39 80.224 3.775 -14.713 1.00 0.00 H new ATOM 0 HA LYS A 39 78.259 5.901 -14.819 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.281 4.801 -16.501 1.00 0.00 H new ATOM 0 HB3 LYS A 39 78.760 4.565 -17.339 1.00 0.00 H new ATOM 0 HG2 LYS A 39 78.356 6.846 -17.559 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.288 7.265 -16.135 1.00 0.00 H new ATOM 0 HD2 LYS A 39 81.382 6.560 -17.407 1.00 0.00 H new ATOM 0 HD3 LYS A 39 80.383 6.389 -18.836 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.076 8.569 -19.131 1.00 0.00 H new ATOM 0 HE3 LYS A 39 79.613 8.862 -18.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 81.470 10.116 -17.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 80.943 8.977 -16.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.361 8.693 -17.075 1.00 0.00 H new ATOM 617 N MET A 40 76.220 4.738 -15.903 1.00 0.00 N ATOM 618 CA MET A 40 74.949 4.047 -16.132 1.00 0.00 C ATOM 619 C MET A 40 74.941 3.274 -17.461 1.00 0.00 C ATOM 620 O MET A 40 74.056 2.454 -17.696 1.00 0.00 O ATOM 621 CB MET A 40 73.794 5.051 -16.110 1.00 0.00 C ATOM 622 CG MET A 40 72.896 4.923 -14.887 1.00 0.00 C ATOM 623 SD MET A 40 71.395 3.963 -15.200 1.00 0.00 S ATOM 624 CE MET A 40 70.841 4.633 -16.769 1.00 0.00 C ATOM 0 H MET A 40 76.206 5.733 -16.127 1.00 0.00 H new ATOM 0 HA MET A 40 74.824 3.322 -15.328 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.202 6.061 -16.147 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.191 4.918 -17.008 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.458 4.453 -14.080 1.00 0.00 H new ATOM 0 HG3 MET A 40 72.617 5.919 -14.544 1.00 0.00 H new ATOM 0 HE1 MET A 40 69.783 4.409 -16.907 1.00 0.00 H new ATOM 0 HE2 MET A 40 70.987 5.713 -16.775 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.415 4.184 -17.579 1.00 0.00 H new ATOM 634 N THR A 41 75.917 3.539 -18.335 1.00 0.00 N ATOM 635 CA THR A 41 75.987 2.850 -19.625 1.00 0.00 C ATOM 636 C THR A 41 77.151 1.845 -19.676 1.00 0.00 C ATOM 637 O THR A 41 77.884 1.760 -20.666 1.00 0.00 O ATOM 638 CB THR A 41 76.106 3.863 -20.792 1.00 0.00 C ATOM 639 OG1 THR A 41 76.240 3.173 -22.041 1.00 0.00 O ATOM 640 CG2 THR A 41 77.293 4.801 -20.593 1.00 0.00 C ATOM 0 H THR A 41 76.661 4.218 -18.175 1.00 0.00 H new ATOM 0 HA THR A 41 75.057 2.292 -19.737 1.00 0.00 H new ATOM 0 HB THR A 41 75.194 4.460 -20.806 1.00 0.00 H new ATOM 0 HG1 THR A 41 77.056 2.630 -22.029 1.00 0.00 H new ATOM 0 HG21 THR A 41 77.349 5.499 -21.428 1.00 0.00 H new ATOM 0 HG22 THR A 41 77.166 5.356 -19.664 1.00 0.00 H new ATOM 0 HG23 THR A 41 78.213 4.218 -20.545 1.00 0.00 H new ATOM 648 N THR A 42 77.308 1.068 -18.606 1.00 0.00 N ATOM 649 CA THR A 42 78.378 0.071 -18.531 1.00 0.00 C ATOM 650 C THR A 42 77.821 -1.349 -18.423 1.00 0.00 C ATOM 651 O THR A 42 76.659 -1.546 -18.063 1.00 0.00 O ATOM 652 CB THR A 42 79.331 0.338 -17.343 1.00 0.00 C ATOM 653 OG1 THR A 42 80.511 -0.465 -17.474 1.00 0.00 O ATOM 654 CG2 THR A 42 78.657 0.039 -16.009 1.00 0.00 C ATOM 0 H THR A 42 76.710 1.108 -17.780 1.00 0.00 H new ATOM 0 HA THR A 42 78.942 0.160 -19.459 1.00 0.00 H new ATOM 0 HB THR A 42 79.599 1.395 -17.361 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.111 -0.290 -16.719 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.355 0.238 -15.196 1.00 0.00 H new ATOM 0 HG22 THR A 42 77.778 0.673 -15.895 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.355 -1.008 -15.980 1.00 0.00 H new ATOM 662 N HIS A 43 78.653 -2.336 -18.751 1.00 0.00 N ATOM 663 CA HIS A 43 78.249 -3.744 -18.688 1.00 0.00 C ATOM 664 C HIS A 43 78.136 -4.218 -17.237 1.00 0.00 C ATOM 665 O HIS A 43 78.861 -3.740 -16.362 1.00 0.00 O ATOM 666 CB HIS A 43 79.255 -4.615 -19.444 1.00 0.00 C ATOM 667 CG HIS A 43 78.938 -4.777 -20.901 1.00 0.00 C ATOM 668 ND1 HIS A 43 79.824 -5.318 -21.808 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.827 -4.464 -21.610 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.275 -5.332 -23.007 1.00 0.00 C ATOM 671 NE2 HIS A 43 78.061 -4.820 -22.917 1.00 0.00 N ATOM 0 H HIS A 43 79.613 -2.189 -19.064 1.00 0.00 H new ATOM 0 HA HIS A 43 77.269 -3.837 -19.157 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.248 -4.177 -19.344 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.292 -5.600 -18.978 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.924 -4.017 -21.220 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.740 -5.700 -23.910 1.00 0.00 H new ATOM 0 HE2 HIS A 43 77.405 -4.707 -23.690 1.00 0.00 H new ATOM 679 N LEU A 44 77.238 -5.172 -16.988 1.00 0.00 N ATOM 680 CA LEU A 44 77.031 -5.694 -15.634 1.00 0.00 C ATOM 681 C LEU A 44 78.238 -6.484 -15.100 1.00 0.00 C ATOM 682 O LEU A 44 78.316 -6.747 -13.899 1.00 0.00 O ATOM 683 CB LEU A 44 75.767 -6.555 -15.586 1.00 0.00 C ATOM 684 CG LEU A 44 74.564 -5.914 -14.883 1.00 0.00 C ATOM 685 CD1 LEU A 44 74.890 -5.605 -13.429 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.127 -4.648 -15.609 1.00 0.00 C ATOM 0 H LEU A 44 76.645 -5.598 -17.700 1.00 0.00 H new ATOM 0 HA LEU A 44 76.911 -4.830 -14.980 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.479 -6.806 -16.607 1.00 0.00 H new ATOM 0 HB3 LEU A 44 76.004 -7.492 -15.082 1.00 0.00 H new ATOM 0 HG LEU A 44 73.740 -6.627 -14.907 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.022 -5.151 -12.950 1.00 0.00 H new ATOM 0 HD12 LEU A 44 75.149 -6.528 -12.910 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.732 -4.914 -13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.272 -4.210 -15.094 1.00 0.00 H new ATOM 0 HD22 LEU A 44 74.950 -3.933 -15.621 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.846 -4.894 -16.633 1.00 0.00 H new ATOM 698 N LYS A 45 79.169 -6.867 -15.989 1.00 0.00 N ATOM 699 CA LYS A 45 80.369 -7.618 -15.600 1.00 0.00 C ATOM 700 C LYS A 45 81.091 -6.970 -14.414 1.00 0.00 C ATOM 701 O LYS A 45 81.460 -7.649 -13.457 1.00 0.00 O ATOM 702 CB LYS A 45 81.342 -7.713 -16.781 1.00 0.00 C ATOM 703 CG LYS A 45 80.781 -8.438 -17.991 1.00 0.00 C ATOM 704 CD LYS A 45 81.706 -8.308 -19.191 1.00 0.00 C ATOM 705 CE LYS A 45 81.018 -8.734 -20.478 1.00 0.00 C ATOM 706 NZ LYS A 45 81.996 -8.969 -21.578 1.00 0.00 N ATOM 0 H LYS A 45 79.111 -6.666 -16.987 1.00 0.00 H new ATOM 0 HA LYS A 45 80.040 -8.613 -15.302 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.635 -6.706 -17.078 1.00 0.00 H new ATOM 0 HB3 LYS A 45 82.247 -8.224 -16.452 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.638 -9.492 -17.752 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.801 -8.031 -18.239 1.00 0.00 H new ATOM 0 HD2 LYS A 45 82.041 -7.275 -19.282 1.00 0.00 H new ATOM 0 HD3 LYS A 45 82.595 -8.919 -19.034 1.00 0.00 H new ATOM 0 HE2 LYS A 45 80.446 -9.645 -20.300 1.00 0.00 H new ATOM 0 HE3 LYS A 45 80.307 -7.965 -20.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 81.488 -9.258 -22.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 82.525 -8.093 -21.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 82.659 -9.720 -21.299 1.00 0.00 H new ATOM 720 N LYS A 46 81.279 -5.654 -14.487 1.00 0.00 N ATOM 721 CA LYS A 46 81.961 -4.903 -13.432 1.00 0.00 C ATOM 722 C LYS A 46 81.228 -5.000 -12.090 1.00 0.00 C ATOM 723 O LYS A 46 81.833 -5.318 -11.070 1.00 0.00 O ATOM 724 CB LYS A 46 82.102 -3.435 -13.839 1.00 0.00 C ATOM 725 CG LYS A 46 83.518 -2.897 -13.713 1.00 0.00 C ATOM 726 CD LYS A 46 83.612 -1.454 -14.185 1.00 0.00 C ATOM 727 CE LYS A 46 84.002 -1.370 -15.653 1.00 0.00 C ATOM 728 NZ LYS A 46 85.469 -1.195 -15.829 1.00 0.00 N ATOM 0 H LYS A 46 80.967 -5.081 -15.271 1.00 0.00 H new ATOM 0 HA LYS A 46 82.948 -5.347 -13.303 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.770 -3.320 -14.871 1.00 0.00 H new ATOM 0 HB3 LYS A 46 81.437 -2.831 -13.221 1.00 0.00 H new ATOM 0 HG2 LYS A 46 83.842 -2.963 -12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 46 84.197 -3.517 -14.298 1.00 0.00 H new ATOM 0 HD2 LYS A 46 82.653 -0.958 -14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 46 84.346 -0.920 -13.582 1.00 0.00 H new ATOM 0 HE2 LYS A 46 83.680 -2.276 -16.166 1.00 0.00 H new ATOM 0 HE3 LYS A 46 83.478 -0.536 -16.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 85.693 -1.142 -16.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 85.772 -0.317 -15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 85.968 -2.003 -15.406 1.00 0.00 H new ATOM 742 N LEU A 47 79.924 -4.737 -12.106 1.00 0.00 N ATOM 743 CA LEU A 47 79.108 -4.780 -10.890 1.00 0.00 C ATOM 744 C LEU A 47 79.019 -6.194 -10.301 1.00 0.00 C ATOM 745 O LEU A 47 79.185 -6.385 -9.094 1.00 0.00 O ATOM 746 CB LEU A 47 77.702 -4.251 -11.184 1.00 0.00 C ATOM 747 CG LEU A 47 77.503 -2.756 -10.925 1.00 0.00 C ATOM 748 CD1 LEU A 47 77.273 -2.012 -12.232 1.00 0.00 C ATOM 749 CD2 LEU A 47 76.338 -2.533 -9.975 1.00 0.00 C ATOM 0 H LEU A 47 79.406 -4.491 -12.949 1.00 0.00 H new ATOM 0 HA LEU A 47 79.595 -4.146 -10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.464 -4.458 -12.227 1.00 0.00 H new ATOM 0 HB3 LEU A 47 76.987 -4.807 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 47 78.408 -2.364 -10.462 1.00 0.00 H new ATOM 0 HD11 LEU A 47 77.134 -0.951 -12.027 1.00 0.00 H new ATOM 0 HD12 LEU A 47 78.137 -2.145 -12.883 1.00 0.00 H new ATOM 0 HD13 LEU A 47 76.384 -2.406 -12.723 1.00 0.00 H new ATOM 0 HD21 LEU A 47 76.210 -1.465 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 47 75.427 -2.941 -10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 47 76.540 -3.033 -9.028 1.00 0.00 H new ATOM 761 N LYS A 48 78.763 -7.181 -11.160 1.00 0.00 N ATOM 762 CA LYS A 48 78.642 -8.576 -10.729 1.00 0.00 C ATOM 763 C LYS A 48 79.963 -9.121 -10.169 1.00 0.00 C ATOM 764 O LYS A 48 79.982 -9.752 -9.110 1.00 0.00 O ATOM 765 CB LYS A 48 78.171 -9.447 -11.899 1.00 0.00 C ATOM 766 CG LYS A 48 77.035 -10.393 -11.543 1.00 0.00 C ATOM 767 CD LYS A 48 76.462 -11.061 -12.784 1.00 0.00 C ATOM 768 CE LYS A 48 75.492 -12.175 -12.421 1.00 0.00 C ATOM 769 NZ LYS A 48 75.005 -12.902 -13.626 1.00 0.00 N ATOM 0 H LYS A 48 78.635 -7.040 -12.162 1.00 0.00 H new ATOM 0 HA LYS A 48 77.905 -8.609 -9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.850 -8.800 -12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 48 79.015 -10.030 -12.268 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.396 -11.154 -10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.248 -9.842 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 48 75.951 -10.317 -13.395 1.00 0.00 H new ATOM 0 HD3 LYS A 48 77.274 -11.467 -13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.982 -12.877 -11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 48 74.642 -11.755 -11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 74.470 -13.744 -13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 74.387 -12.277 -14.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 75.817 -13.193 -14.207 1.00 0.00 H new ATOM 783 N GLU A 49 81.066 -8.866 -10.876 1.00 0.00 N ATOM 784 CA GLU A 49 82.384 -9.339 -10.443 1.00 0.00 C ATOM 785 C GLU A 49 82.864 -8.615 -9.182 1.00 0.00 C ATOM 786 O GLU A 49 83.498 -9.223 -8.317 1.00 0.00 O ATOM 787 CB GLU A 49 83.410 -9.153 -11.565 1.00 0.00 C ATOM 788 CG GLU A 49 84.605 -10.089 -11.462 1.00 0.00 C ATOM 789 CD GLU A 49 85.881 -9.470 -12.000 1.00 0.00 C ATOM 790 OE1 GLU A 49 86.038 -9.410 -13.238 1.00 0.00 O ATOM 791 OE2 GLU A 49 86.726 -9.042 -11.181 1.00 0.00 O ATOM 0 H GLU A 49 81.074 -8.337 -11.748 1.00 0.00 H new ATOM 0 HA GLU A 49 82.287 -10.399 -10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.918 -9.310 -12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.765 -8.122 -11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 49 84.753 -10.369 -10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 49 84.391 -11.006 -12.011 1.00 0.00 H new ATOM 798 N SER A 50 82.547 -7.321 -9.077 1.00 0.00 N ATOM 799 CA SER A 50 82.956 -6.519 -7.920 1.00 0.00 C ATOM 800 C SER A 50 82.367 -7.074 -6.624 1.00 0.00 C ATOM 801 O SER A 50 83.097 -7.372 -5.680 1.00 0.00 O ATOM 802 CB SER A 50 82.537 -5.059 -8.098 1.00 0.00 C ATOM 803 OG SER A 50 83.550 -4.178 -7.640 1.00 0.00 O ATOM 0 H SER A 50 82.010 -6.808 -9.776 1.00 0.00 H new ATOM 0 HA SER A 50 84.043 -6.570 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 50 82.328 -4.863 -9.150 1.00 0.00 H new ATOM 0 HB3 SER A 50 81.614 -4.873 -7.550 1.00 0.00 H new ATOM 0 HG SER A 50 83.259 -3.251 -7.766 1.00 0.00 H new ATOM 809 N TYR A 51 81.041 -7.211 -6.590 1.00 0.00 N ATOM 810 CA TYR A 51 80.347 -7.753 -5.412 1.00 0.00 C ATOM 811 C TYR A 51 80.838 -9.174 -5.077 1.00 0.00 C ATOM 812 O TYR A 51 81.010 -9.522 -3.907 1.00 0.00 O ATOM 813 CB TYR A 51 78.816 -7.749 -5.628 1.00 0.00 C ATOM 814 CG TYR A 51 78.096 -8.949 -5.043 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.753 -8.991 -3.698 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.772 -10.041 -5.838 1.00 0.00 C ATOM 817 CE1 TYR A 51 77.109 -10.089 -3.160 1.00 0.00 C ATOM 818 CE2 TYR A 51 77.126 -11.142 -5.309 1.00 0.00 C ATOM 819 CZ TYR A 51 76.797 -11.161 -3.969 1.00 0.00 C ATOM 820 OH TYR A 51 76.160 -12.259 -3.438 1.00 0.00 O ATOM 0 H TYR A 51 80.424 -6.956 -7.361 1.00 0.00 H new ATOM 0 HA TYR A 51 80.581 -7.107 -4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.402 -6.842 -5.187 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.613 -7.705 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.993 -8.152 -3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 51 78.029 -10.029 -6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.851 -10.107 -2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.880 -11.983 -5.941 1.00 0.00 H new ATOM 0 HH TYR A 51 75.423 -11.964 -2.863 1.00 0.00 H new ATOM 830 N CYS A 52 81.076 -9.979 -6.116 1.00 0.00 N ATOM 831 CA CYS A 52 81.536 -11.371 -5.942 1.00 0.00 C ATOM 832 C CYS A 52 82.858 -11.450 -5.173 1.00 0.00 C ATOM 833 O CYS A 52 82.951 -12.138 -4.154 1.00 0.00 O ATOM 834 CB CYS A 52 81.700 -12.076 -7.300 1.00 0.00 C ATOM 835 SG CYS A 52 82.163 -13.818 -7.174 1.00 0.00 S ATOM 0 H CYS A 52 80.960 -9.696 -7.089 1.00 0.00 H new ATOM 0 HA CYS A 52 80.766 -11.877 -5.360 1.00 0.00 H new ATOM 0 HB2 CYS A 52 80.764 -11.999 -7.853 1.00 0.00 H new ATOM 0 HB3 CYS A 52 82.458 -11.551 -7.881 1.00 0.00 H new ATOM 0 HG CYS A 52 81.676 -14.318 -6.077 1.00 0.00 H new ATOM 841 N GLN A 53 83.876 -10.736 -5.658 1.00 0.00 N ATOM 842 CA GLN A 53 85.194 -10.745 -5.018 1.00 0.00 C ATOM 843 C GLN A 53 85.200 -9.969 -3.694 1.00 0.00 C ATOM 844 O GLN A 53 86.107 -10.134 -2.879 1.00 0.00 O ATOM 845 CB GLN A 53 86.259 -10.192 -5.977 1.00 0.00 C ATOM 846 CG GLN A 53 86.302 -8.674 -6.055 1.00 0.00 C ATOM 847 CD GLN A 53 86.521 -8.157 -7.468 1.00 0.00 C ATOM 848 OE1 GLN A 53 86.124 -7.042 -7.803 1.00 0.00 O ATOM 849 NE2 GLN A 53 87.162 -8.957 -8.305 1.00 0.00 N ATOM 0 H GLN A 53 83.814 -10.147 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 53 85.435 -11.782 -4.782 1.00 0.00 H new ATOM 0 HB2 GLN A 53 87.238 -10.556 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 53 86.075 -10.591 -6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 53 85.367 -8.269 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 53 87.101 -8.305 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 53 87.477 -9.875 -7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 53 87.341 -8.655 -9.263 1.00 0.00 H new ATOM 858 N ARG A 54 84.188 -9.124 -3.483 1.00 0.00 N ATOM 859 CA ARG A 54 84.085 -8.344 -2.251 1.00 0.00 C ATOM 860 C ARG A 54 83.677 -9.237 -1.079 1.00 0.00 C ATOM 861 O ARG A 54 84.255 -9.163 0.004 1.00 0.00 O ATOM 862 CB ARG A 54 83.067 -7.210 -2.421 1.00 0.00 C ATOM 863 CG ARG A 54 83.571 -5.856 -1.945 1.00 0.00 C ATOM 864 CD ARG A 54 84.363 -5.141 -3.028 1.00 0.00 C ATOM 865 NE ARG A 54 83.647 -3.979 -3.555 1.00 0.00 N ATOM 866 CZ ARG A 54 83.832 -2.739 -3.133 1.00 0.00 C ATOM 867 NH1 ARG A 54 84.697 -2.480 -2.181 1.00 0.00 N ATOM 868 NH2 ARG A 54 83.150 -1.753 -3.663 1.00 0.00 N ATOM 0 H ARG A 54 83.431 -8.964 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 54 85.064 -7.914 -2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.792 -7.136 -3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.160 -7.463 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 54 82.725 -5.238 -1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.198 -5.990 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.324 -4.822 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.574 -5.836 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 54 82.962 -4.135 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 54 85.234 -3.238 -1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 54 84.833 -1.521 -1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 54 82.474 -1.941 -4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 54 83.295 -0.798 -3.335 1.00 0.00 H new ATOM 882 N GLN A 55 82.670 -10.074 -1.306 1.00 0.00 N ATOM 883 CA GLN A 55 82.189 -10.996 -0.271 1.00 0.00 C ATOM 884 C GLN A 55 83.048 -12.267 -0.192 1.00 0.00 C ATOM 885 O GLN A 55 83.381 -12.725 0.901 1.00 0.00 O ATOM 886 CB GLN A 55 80.724 -11.373 -0.516 1.00 0.00 C ATOM 887 CG GLN A 55 79.819 -10.176 -0.766 1.00 0.00 C ATOM 888 CD GLN A 55 79.001 -9.796 0.453 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.778 -9.694 0.391 1.00 0.00 O ATOM 890 NE2 GLN A 55 79.671 -9.578 1.570 1.00 0.00 N ATOM 0 H GLN A 55 82.170 -10.137 -2.193 1.00 0.00 H new ATOM 0 HA GLN A 55 82.270 -10.474 0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.669 -12.044 -1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.351 -11.926 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.426 -9.324 -1.071 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.147 -10.401 -1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 55 80.687 -9.673 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 55 79.173 -9.315 2.420 1.00 0.00 H new ATOM 899 N GLY A 56 83.392 -12.840 -1.346 1.00 0.00 N ATOM 900 CA GLY A 56 84.200 -14.049 -1.365 1.00 0.00 C ATOM 901 C GLY A 56 83.360 -15.310 -1.483 1.00 0.00 C ATOM 902 O GLY A 56 83.582 -16.285 -0.767 1.00 0.00 O ATOM 0 H GLY A 56 83.126 -12.489 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 56 84.898 -14.002 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.796 -14.098 -0.454 1.00 0.00 H new ATOM 906 N VAL A 57 82.396 -15.292 -2.400 1.00 0.00 N ATOM 907 CA VAL A 57 81.510 -16.435 -2.611 1.00 0.00 C ATOM 908 C VAL A 57 81.449 -16.822 -4.092 1.00 0.00 C ATOM 909 O VAL A 57 81.580 -15.967 -4.966 1.00 0.00 O ATOM 910 CB VAL A 57 80.076 -16.140 -2.110 1.00 0.00 C ATOM 911 CG1 VAL A 57 79.895 -16.640 -0.684 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.759 -14.653 -2.202 1.00 0.00 C ATOM 0 H VAL A 57 82.208 -14.497 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 57 81.925 -17.264 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 57 79.377 -16.673 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 57 78.881 -16.424 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.066 -17.716 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.608 -16.139 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.745 -14.474 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.465 -14.092 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.840 -14.327 -3.239 1.00 0.00 H new ATOM 922 N PRO A 58 81.254 -18.122 -4.390 1.00 0.00 N ATOM 923 CA PRO A 58 81.177 -18.614 -5.775 1.00 0.00 C ATOM 924 C PRO A 58 79.944 -18.105 -6.524 1.00 0.00 C ATOM 925 O PRO A 58 78.827 -18.125 -5.996 1.00 0.00 O ATOM 926 CB PRO A 58 81.114 -20.138 -5.611 1.00 0.00 C ATOM 927 CG PRO A 58 80.594 -20.357 -4.232 1.00 0.00 C ATOM 928 CD PRO A 58 81.104 -19.210 -3.407 1.00 0.00 C ATOM 0 HA PRO A 58 82.022 -18.267 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.458 -20.588 -6.356 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.098 -20.590 -5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 58 79.504 -20.387 -4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 58 80.941 -21.310 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.404 -18.942 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.052 -19.451 -2.927 1.00 0.00 H new ATOM 936 N MET A 59 80.152 -17.676 -7.770 1.00 0.00 N ATOM 937 CA MET A 59 79.067 -17.151 -8.608 1.00 0.00 C ATOM 938 C MET A 59 78.056 -18.237 -8.991 1.00 0.00 C ATOM 939 O MET A 59 76.960 -17.938 -9.459 1.00 0.00 O ATOM 940 CB MET A 59 79.642 -16.511 -9.874 1.00 0.00 C ATOM 941 CG MET A 59 79.460 -15.003 -9.925 1.00 0.00 C ATOM 942 SD MET A 59 79.710 -14.329 -11.577 1.00 0.00 S ATOM 943 CE MET A 59 80.666 -12.862 -11.203 1.00 0.00 C ATOM 0 H MET A 59 81.065 -17.681 -8.225 1.00 0.00 H new ATOM 0 HA MET A 59 78.539 -16.399 -8.021 1.00 0.00 H new ATOM 0 HB2 MET A 59 80.705 -16.743 -9.939 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.164 -16.957 -10.746 1.00 0.00 H new ATOM 0 HG2 MET A 59 78.457 -14.750 -9.582 1.00 0.00 H new ATOM 0 HG3 MET A 59 80.161 -14.533 -9.235 1.00 0.00 H new ATOM 0 HE1 MET A 59 80.900 -12.335 -12.128 1.00 0.00 H new ATOM 0 HE2 MET A 59 80.089 -12.209 -10.549 1.00 0.00 H new ATOM 0 HE3 MET A 59 81.592 -13.148 -10.705 1.00 0.00 H new ATOM 953 N ASN A 60 78.429 -19.497 -8.792 1.00 0.00 N ATOM 954 CA ASN A 60 77.547 -20.621 -9.102 1.00 0.00 C ATOM 955 C ASN A 60 76.557 -20.872 -7.960 1.00 0.00 C ATOM 956 O ASN A 60 75.739 -21.793 -8.021 1.00 0.00 O ATOM 957 CB ASN A 60 78.366 -21.891 -9.365 1.00 0.00 C ATOM 958 CG ASN A 60 79.760 -21.597 -9.892 1.00 0.00 C ATOM 959 OD1 ASN A 60 80.640 -21.164 -9.149 1.00 0.00 O ATOM 960 ND2 ASN A 60 79.969 -21.830 -11.176 1.00 0.00 N ATOM 0 H ASN A 60 79.338 -19.768 -8.417 1.00 0.00 H new ATOM 0 HA ASN A 60 76.985 -20.366 -10.001 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.446 -22.464 -8.441 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.836 -22.517 -10.083 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.886 -21.651 -11.584 1.00 0.00 H new ATOM 0 HD22 ASN A 60 79.213 -22.189 -11.759 1.00 0.00 H new ATOM 967 N SER A 61 76.635 -20.049 -6.916 1.00 0.00 N ATOM 968 CA SER A 61 75.750 -20.187 -5.759 1.00 0.00 C ATOM 969 C SER A 61 74.774 -19.012 -5.639 1.00 0.00 C ATOM 970 O SER A 61 73.646 -19.184 -5.168 1.00 0.00 O ATOM 971 CB SER A 61 76.577 -20.310 -4.475 1.00 0.00 C ATOM 972 OG SER A 61 77.164 -19.070 -4.115 1.00 0.00 O ATOM 0 H SER A 61 77.301 -19.280 -6.847 1.00 0.00 H new ATOM 0 HA SER A 61 75.161 -21.093 -5.905 1.00 0.00 H new ATOM 0 HB2 SER A 61 75.941 -20.662 -3.663 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.358 -21.057 -4.614 1.00 0.00 H new ATOM 0 HG SER A 61 77.937 -18.894 -4.691 1.00 0.00 H new ATOM 978 N LEU A 62 75.195 -17.827 -6.071 1.00 0.00 N ATOM 979 CA LEU A 62 74.341 -16.641 -5.994 1.00 0.00 C ATOM 980 C LEU A 62 74.229 -15.933 -7.343 1.00 0.00 C ATOM 981 O LEU A 62 75.207 -15.820 -8.083 1.00 0.00 O ATOM 982 CB LEU A 62 74.871 -15.662 -4.941 1.00 0.00 C ATOM 983 CG LEU A 62 76.295 -15.928 -4.450 1.00 0.00 C ATOM 984 CD1 LEU A 62 77.283 -14.994 -5.136 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.368 -15.774 -2.939 1.00 0.00 C ATOM 0 H LEU A 62 76.116 -17.660 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 62 73.346 -16.980 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.831 -14.654 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.200 -15.681 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 62 76.565 -16.952 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 62 78.290 -15.199 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 62 77.246 -15.153 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 62 77.021 -13.960 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.387 -15.966 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.079 -14.760 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 62 75.690 -16.486 -2.468 1.00 0.00 H new ATOM 997 N ARG A 63 73.031 -15.446 -7.646 1.00 0.00 N ATOM 998 CA ARG A 63 72.777 -14.745 -8.904 1.00 0.00 C ATOM 999 C ARG A 63 72.185 -13.360 -8.652 1.00 0.00 C ATOM 1000 O ARG A 63 71.485 -13.142 -7.663 1.00 0.00 O ATOM 1001 CB ARG A 63 71.825 -15.554 -9.796 1.00 0.00 C ATOM 1002 CG ARG A 63 71.874 -17.058 -9.559 1.00 0.00 C ATOM 1003 CD ARG A 63 71.418 -17.832 -10.786 1.00 0.00 C ATOM 1004 NE ARG A 63 70.091 -18.416 -10.600 1.00 0.00 N ATOM 1005 CZ ARG A 63 69.193 -18.534 -11.565 1.00 0.00 C ATOM 1006 NH1 ARG A 63 69.459 -18.121 -12.781 1.00 0.00 N ATOM 1007 NH2 ARG A 63 68.024 -19.070 -11.311 1.00 0.00 N ATOM 0 H ARG A 63 72.216 -15.523 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 63 73.734 -14.631 -9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.806 -15.205 -9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 63 72.066 -15.354 -10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 63 72.890 -17.353 -9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 63 71.240 -17.314 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 63 71.404 -17.168 -11.650 1.00 0.00 H new ATOM 0 HD3 ARG A 63 72.136 -18.623 -11.004 1.00 0.00 H new ATOM 0 HE ARG A 63 69.842 -18.753 -9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 63 70.366 -17.704 -12.991 1.00 0.00 H new ATOM 0 HH12 ARG A 63 68.759 -18.217 -13.517 1.00 0.00 H new ATOM 0 HH21 ARG A 63 67.806 -19.396 -10.369 1.00 0.00 H new ATOM 0 HH22 ARG A 63 67.332 -19.161 -12.055 1.00 0.00 H new ATOM 1021 N LEU A 64 72.462 -12.426 -9.555 1.00 0.00 N ATOM 1022 CA LEU A 64 71.946 -11.062 -9.429 1.00 0.00 C ATOM 1023 C LEU A 64 70.642 -10.911 -10.218 1.00 0.00 C ATOM 1024 O LEU A 64 70.534 -11.392 -11.348 1.00 0.00 O ATOM 1025 CB LEU A 64 72.986 -10.039 -9.913 1.00 0.00 C ATOM 1026 CG LEU A 64 73.444 -9.027 -8.861 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.701 -9.519 -8.160 1.00 0.00 C ATOM 1028 CD2 LEU A 64 73.689 -7.669 -9.500 1.00 0.00 C ATOM 0 H LEU A 64 73.039 -12.585 -10.381 1.00 0.00 H new ATOM 0 HA LEU A 64 71.742 -10.869 -8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.859 -10.579 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.569 -9.495 -10.760 1.00 0.00 H new ATOM 0 HG LEU A 64 72.654 -8.921 -8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.012 -8.787 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.495 -10.470 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.497 -9.653 -8.892 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.014 -6.961 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.462 -7.760 -10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 64 72.767 -7.311 -9.958 1.00 0.00 H new ATOM 1040 N LEU A 65 69.652 -10.250 -9.621 1.00 0.00 N ATOM 1041 CA LEU A 65 68.360 -10.061 -10.285 1.00 0.00 C ATOM 1042 C LEU A 65 67.784 -8.659 -10.041 1.00 0.00 C ATOM 1043 O LEU A 65 68.095 -8.007 -9.044 1.00 0.00 O ATOM 1044 CB LEU A 65 67.359 -11.188 -9.899 1.00 0.00 C ATOM 1045 CG LEU A 65 66.580 -11.088 -8.559 1.00 0.00 C ATOM 1046 CD1 LEU A 65 67.457 -10.640 -7.401 1.00 0.00 C ATOM 1047 CD2 LEU A 65 65.361 -10.182 -8.695 1.00 0.00 C ATOM 0 H LEU A 65 69.716 -9.840 -8.689 1.00 0.00 H new ATOM 0 HA LEU A 65 68.530 -10.136 -11.359 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.624 -11.261 -10.700 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.912 -12.127 -9.887 1.00 0.00 H new ATOM 0 HG LEU A 65 66.239 -12.097 -8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.859 -10.588 -6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 65 68.269 -11.354 -7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.873 -9.656 -7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.836 -10.132 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.682 -9.182 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.692 -10.584 -9.456 1.00 0.00 H new ATOM 1059 N PHE A 66 66.955 -8.202 -10.974 1.00 0.00 N ATOM 1060 CA PHE A 66 66.337 -6.879 -10.873 1.00 0.00 C ATOM 1061 C PHE A 66 64.870 -6.919 -11.306 1.00 0.00 C ATOM 1062 O PHE A 66 64.559 -7.316 -12.429 1.00 0.00 O ATOM 1063 CB PHE A 66 67.113 -5.869 -11.725 1.00 0.00 C ATOM 1064 CG PHE A 66 66.571 -4.471 -11.647 1.00 0.00 C ATOM 1065 CD1 PHE A 66 66.685 -3.731 -10.479 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.948 -3.894 -12.741 1.00 0.00 C ATOM 1067 CE1 PHE A 66 66.183 -2.446 -10.405 1.00 0.00 C ATOM 1068 CE2 PHE A 66 65.445 -2.611 -12.674 1.00 0.00 C ATOM 1069 CZ PHE A 66 65.562 -1.885 -11.504 1.00 0.00 C ATOM 0 H PHE A 66 66.694 -8.726 -11.809 1.00 0.00 H new ATOM 0 HA PHE A 66 66.372 -6.568 -9.829 1.00 0.00 H new ATOM 0 HB2 PHE A 66 68.155 -5.863 -11.406 1.00 0.00 H new ATOM 0 HB3 PHE A 66 67.099 -6.197 -12.764 1.00 0.00 H new ATOM 0 HD1 PHE A 66 67.172 -4.164 -9.618 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.855 -4.456 -13.659 1.00 0.00 H new ATOM 0 HE1 PHE A 66 66.276 -1.881 -9.489 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.960 -2.175 -13.535 1.00 0.00 H new ATOM 0 HZ PHE A 66 65.169 -0.881 -11.449 1.00 0.00 H new ATOM 1079 N GLU A 67 63.983 -6.508 -10.390 1.00 0.00 N ATOM 1080 CA GLU A 67 62.523 -6.462 -10.613 1.00 0.00 C ATOM 1081 C GLU A 67 61.947 -7.767 -11.202 1.00 0.00 C ATOM 1082 O GLU A 67 60.941 -7.750 -11.914 1.00 0.00 O ATOM 1083 CB GLU A 67 62.133 -5.237 -11.473 1.00 0.00 C ATOM 1084 CG GLU A 67 62.365 -5.388 -12.973 1.00 0.00 C ATOM 1085 CD GLU A 67 61.103 -5.175 -13.788 1.00 0.00 C ATOM 1086 OE1 GLU A 67 60.250 -4.364 -13.367 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.968 -5.817 -14.852 1.00 0.00 O ATOM 0 H GLU A 67 64.258 -6.193 -9.460 1.00 0.00 H new ATOM 0 HA GLU A 67 62.069 -6.356 -9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 67 61.078 -5.019 -11.306 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.697 -4.373 -11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 67 63.123 -4.673 -13.292 1.00 0.00 H new ATOM 0 HG3 GLU A 67 62.760 -6.383 -13.177 1.00 0.00 H new ATOM 1094 N GLY A 68 62.567 -8.898 -10.873 1.00 0.00 N ATOM 1095 CA GLY A 68 62.084 -10.181 -11.367 1.00 0.00 C ATOM 1096 C GLY A 68 62.891 -10.739 -12.533 1.00 0.00 C ATOM 1097 O GLY A 68 62.818 -11.933 -12.821 1.00 0.00 O ATOM 0 H GLY A 68 63.392 -8.951 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 68 62.099 -10.902 -10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 68 61.045 -10.072 -11.677 1.00 0.00 H new ATOM 1101 N GLN A 69 63.662 -9.889 -13.206 1.00 0.00 N ATOM 1102 CA GLN A 69 64.469 -10.334 -14.342 1.00 0.00 C ATOM 1103 C GLN A 69 65.898 -10.671 -13.901 1.00 0.00 C ATOM 1104 O GLN A 69 66.433 -10.070 -12.968 1.00 0.00 O ATOM 1105 CB GLN A 69 64.470 -9.269 -15.451 1.00 0.00 C ATOM 1106 CG GLN A 69 65.658 -8.315 -15.416 1.00 0.00 C ATOM 1107 CD GLN A 69 65.392 -7.022 -16.164 1.00 0.00 C ATOM 1108 OE1 GLN A 69 65.382 -6.989 -17.391 1.00 0.00 O ATOM 1109 NE2 GLN A 69 65.174 -5.947 -15.425 1.00 0.00 N ATOM 0 H GLN A 69 63.746 -8.896 -12.988 1.00 0.00 H new ATOM 0 HA GLN A 69 64.023 -11.244 -14.744 1.00 0.00 H new ATOM 0 HB2 GLN A 69 64.453 -9.771 -16.418 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.551 -8.687 -15.378 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.905 -8.086 -14.379 1.00 0.00 H new ATOM 0 HG3 GLN A 69 66.528 -8.808 -15.849 1.00 0.00 H new ATOM 0 HE21 GLN A 69 65.191 -6.016 -14.407 1.00 0.00 H new ATOM 0 HE22 GLN A 69 64.989 -5.049 -15.873 1.00 0.00 H new ATOM 1118 N ARG A 70 66.504 -11.645 -14.575 1.00 0.00 N ATOM 1119 CA ARG A 70 67.869 -12.062 -14.258 1.00 0.00 C ATOM 1120 C ARG A 70 68.896 -11.100 -14.859 1.00 0.00 C ATOM 1121 O ARG A 70 68.653 -10.481 -15.898 1.00 0.00 O ATOM 1122 CB ARG A 70 68.122 -13.496 -14.748 1.00 0.00 C ATOM 1123 CG ARG A 70 68.326 -13.616 -16.253 1.00 0.00 C ATOM 1124 CD ARG A 70 68.797 -15.009 -16.643 1.00 0.00 C ATOM 1125 NE ARG A 70 70.215 -15.029 -16.996 1.00 0.00 N ATOM 1126 CZ ARG A 70 70.747 -15.871 -17.867 1.00 0.00 C ATOM 1127 NH1 ARG A 70 70.001 -16.762 -18.476 1.00 0.00 N ATOM 1128 NH2 ARG A 70 72.029 -15.824 -18.130 1.00 0.00 N ATOM 0 H ARG A 70 66.073 -12.160 -15.343 1.00 0.00 H new ATOM 0 HA ARG A 70 67.983 -12.039 -13.174 1.00 0.00 H new ATOM 0 HB2 ARG A 70 69.002 -13.891 -14.241 1.00 0.00 H new ATOM 0 HB3 ARG A 70 67.278 -14.122 -14.456 1.00 0.00 H new ATOM 0 HG2 ARG A 70 67.392 -13.390 -16.767 1.00 0.00 H new ATOM 0 HG3 ARG A 70 69.058 -12.878 -16.582 1.00 0.00 H new ATOM 0 HD2 ARG A 70 68.620 -15.696 -15.816 1.00 0.00 H new ATOM 0 HD3 ARG A 70 68.208 -15.368 -17.487 1.00 0.00 H new ATOM 0 HE ARG A 70 70.831 -14.354 -16.544 1.00 0.00 H new ATOM 0 HH11 ARG A 70 69.001 -16.810 -18.280 1.00 0.00 H new ATOM 0 HH12 ARG A 70 70.421 -17.407 -19.146 1.00 0.00 H new ATOM 0 HH21 ARG A 70 72.621 -15.137 -17.663 1.00 0.00 H new ATOM 0 HH22 ARG A 70 72.436 -16.475 -18.802 1.00 0.00 H new ATOM 1142 N ILE A 71 70.041 -10.971 -14.202 1.00 0.00 N ATOM 1143 CA ILE A 71 71.091 -10.077 -14.676 1.00 0.00 C ATOM 1144 C ILE A 71 72.231 -10.849 -15.346 1.00 0.00 C ATOM 1145 O ILE A 71 72.817 -11.767 -14.765 1.00 0.00 O ATOM 1146 CB ILE A 71 71.632 -9.184 -13.523 1.00 0.00 C ATOM 1147 CG1 ILE A 71 70.878 -7.856 -13.499 1.00 0.00 C ATOM 1148 CG2 ILE A 71 73.130 -8.935 -13.646 1.00 0.00 C ATOM 1149 CD1 ILE A 71 70.517 -7.390 -12.109 1.00 0.00 C ATOM 0 H ILE A 71 70.267 -11.472 -13.342 1.00 0.00 H new ATOM 0 HA ILE A 71 70.645 -9.427 -15.429 1.00 0.00 H new ATOM 0 HB ILE A 71 71.467 -9.717 -12.587 1.00 0.00 H new ATOM 0 HG12 ILE A 71 71.488 -7.093 -13.982 1.00 0.00 H new ATOM 0 HG13 ILE A 71 69.966 -7.955 -14.088 1.00 0.00 H new ATOM 0 HG21 ILE A 71 73.464 -8.307 -12.820 1.00 0.00 H new ATOM 0 HG22 ILE A 71 73.661 -9.887 -13.616 1.00 0.00 H new ATOM 0 HG23 ILE A 71 73.339 -8.433 -14.591 1.00 0.00 H new ATOM 0 HD11 ILE A 71 69.984 -6.441 -12.170 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.880 -8.134 -11.630 1.00 0.00 H new ATOM 0 HD13 ILE A 71 71.426 -7.258 -11.522 1.00 0.00 H new ATOM 1161 N ALA A 72 72.513 -10.482 -16.592 1.00 0.00 N ATOM 1162 CA ALA A 72 73.585 -11.103 -17.362 1.00 0.00 C ATOM 1163 C ALA A 72 74.875 -10.277 -17.283 1.00 0.00 C ATOM 1164 O ALA A 72 75.012 -9.400 -16.438 1.00 0.00 O ATOM 1165 CB ALA A 72 73.153 -11.285 -18.812 1.00 0.00 C ATOM 0 H ALA A 72 72.009 -9.751 -17.094 1.00 0.00 H new ATOM 0 HA ALA A 72 73.791 -12.083 -16.931 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.961 -11.749 -19.377 1.00 0.00 H new ATOM 0 HB2 ALA A 72 72.270 -11.923 -18.851 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.918 -10.313 -19.246 1.00 0.00 H new ATOM 1171 N ASP A 73 75.818 -10.565 -18.174 1.00 0.00 N ATOM 1172 CA ASP A 73 77.103 -9.867 -18.203 1.00 0.00 C ATOM 1173 C ASP A 73 77.129 -8.750 -19.253 1.00 0.00 C ATOM 1174 O ASP A 73 77.542 -7.626 -18.965 1.00 0.00 O ATOM 1175 CB ASP A 73 78.224 -10.872 -18.476 1.00 0.00 C ATOM 1176 CG ASP A 73 78.572 -11.700 -17.251 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.797 -12.624 -16.920 1.00 0.00 O ATOM 1178 OD2 ASP A 73 79.616 -11.424 -16.626 1.00 0.00 O ATOM 0 H ASP A 73 75.717 -11.283 -18.892 1.00 0.00 H new ATOM 0 HA ASP A 73 77.252 -9.399 -17.230 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.923 -11.536 -19.286 1.00 0.00 H new ATOM 0 HB3 ASP A 73 79.112 -10.338 -18.814 1.00 0.00 H new ATOM 1183 N ASN A 74 76.673 -9.063 -20.467 1.00 0.00 N ATOM 1184 CA ASN A 74 76.657 -8.094 -21.572 1.00 0.00 C ATOM 1185 C ASN A 74 75.432 -7.171 -21.524 1.00 0.00 C ATOM 1186 O ASN A 74 74.999 -6.648 -22.550 1.00 0.00 O ATOM 1187 CB ASN A 74 76.703 -8.826 -22.919 1.00 0.00 C ATOM 1188 CG ASN A 74 75.854 -10.087 -22.945 1.00 0.00 C ATOM 1189 OD1 ASN A 74 74.854 -10.201 -22.240 1.00 0.00 O ATOM 1190 ND2 ASN A 74 76.253 -11.050 -23.760 1.00 0.00 N ATOM 0 H ASN A 74 76.308 -9.983 -20.714 1.00 0.00 H new ATOM 0 HA ASN A 74 77.543 -7.468 -21.461 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.363 -8.151 -23.704 1.00 0.00 H new ATOM 0 HB3 ASN A 74 77.736 -9.087 -23.148 1.00 0.00 H new ATOM 0 HD21 ASN A 74 75.725 -11.921 -23.817 1.00 0.00 H new ATOM 0 HD22 ASN A 74 77.088 -10.921 -24.331 1.00 0.00 H new ATOM 1197 N HIS A 75 74.890 -6.961 -20.331 1.00 0.00 N ATOM 1198 CA HIS A 75 73.720 -6.101 -20.160 1.00 0.00 C ATOM 1199 C HIS A 75 74.110 -4.763 -19.537 1.00 0.00 C ATOM 1200 O HIS A 75 75.179 -4.633 -18.942 1.00 0.00 O ATOM 1201 CB HIS A 75 72.687 -6.786 -19.268 1.00 0.00 C ATOM 1202 CG HIS A 75 71.790 -7.749 -19.987 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.854 -8.526 -19.339 1.00 0.00 N ATOM 1204 CD2 HIS A 75 71.679 -8.055 -21.303 1.00 0.00 C ATOM 1205 CE1 HIS A 75 70.206 -9.266 -20.219 1.00 0.00 C ATOM 1206 NE2 HIS A 75 70.686 -8.999 -21.420 1.00 0.00 N ATOM 0 H HIS A 75 75.240 -7.373 -19.466 1.00 0.00 H new ATOM 0 HA HIS A 75 73.293 -5.920 -21.146 1.00 0.00 H new ATOM 0 HB2 HIS A 75 73.208 -7.318 -18.472 1.00 0.00 H new ATOM 0 HB3 HIS A 75 72.072 -6.022 -18.792 1.00 0.00 H new ATOM 0 HD2 HIS A 75 72.262 -7.635 -22.109 1.00 0.00 H new ATOM 0 HE1 HIS A 75 69.418 -9.970 -19.995 1.00 0.00 H new ATOM 0 HE2 HIS A 75 70.371 -9.424 -22.292 1.00 0.00 H new ATOM 1214 N THR A 76 73.235 -3.775 -19.681 1.00 0.00 N ATOM 1215 CA THR A 76 73.470 -2.443 -19.122 1.00 0.00 C ATOM 1216 C THR A 76 72.248 -1.979 -18.324 1.00 0.00 C ATOM 1217 O THR A 76 71.121 -2.380 -18.625 1.00 0.00 O ATOM 1218 CB THR A 76 73.768 -1.397 -20.219 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.594 -1.163 -21.006 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.908 -1.849 -21.123 1.00 0.00 C ATOM 0 H THR A 76 72.351 -3.869 -20.182 1.00 0.00 H new ATOM 0 HA THR A 76 74.341 -2.523 -18.472 1.00 0.00 H new ATOM 0 HB THR A 76 74.069 -0.473 -19.726 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.663 -1.654 -21.851 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.092 -1.090 -21.884 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.810 -1.992 -20.528 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.639 -2.789 -21.605 1.00 0.00 H new ATOM 1228 N PRO A 77 72.449 -1.134 -17.291 1.00 0.00 N ATOM 1229 CA PRO A 77 71.346 -0.616 -16.464 1.00 0.00 C ATOM 1230 C PRO A 77 70.276 0.109 -17.285 1.00 0.00 C ATOM 1231 O PRO A 77 69.084 0.012 -16.988 1.00 0.00 O ATOM 1232 CB PRO A 77 72.037 0.365 -15.513 1.00 0.00 C ATOM 1233 CG PRO A 77 73.459 -0.077 -15.470 1.00 0.00 C ATOM 1234 CD PRO A 77 73.760 -0.640 -16.832 1.00 0.00 C ATOM 0 HA PRO A 77 70.815 -1.423 -15.959 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.953 1.390 -15.874 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.585 0.338 -14.521 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.120 0.758 -15.238 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.611 -0.828 -14.695 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.161 0.120 -17.502 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.497 -1.441 -16.782 1.00 0.00 H new ATOM 1242 N LYS A 78 70.707 0.832 -18.319 1.00 0.00 N ATOM 1243 CA LYS A 78 69.782 1.567 -19.183 1.00 0.00 C ATOM 1244 C LYS A 78 68.895 0.614 -20.000 1.00 0.00 C ATOM 1245 O LYS A 78 67.778 0.966 -20.377 1.00 0.00 O ATOM 1246 CB LYS A 78 70.549 2.523 -20.111 1.00 0.00 C ATOM 1247 CG LYS A 78 71.286 1.841 -21.256 1.00 0.00 C ATOM 1248 CD LYS A 78 72.278 2.781 -21.921 1.00 0.00 C ATOM 1249 CE LYS A 78 72.914 2.143 -23.148 1.00 0.00 C ATOM 1250 NZ LYS A 78 74.034 2.965 -23.684 1.00 0.00 N ATOM 0 H LYS A 78 71.689 0.925 -18.579 1.00 0.00 H new ATOM 0 HA LYS A 78 69.129 2.157 -18.540 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.847 3.245 -20.528 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.269 3.085 -19.517 1.00 0.00 H new ATOM 0 HG2 LYS A 78 71.812 0.963 -20.880 1.00 0.00 H new ATOM 0 HG3 LYS A 78 70.566 1.489 -21.995 1.00 0.00 H new ATOM 0 HD2 LYS A 78 71.771 3.702 -22.210 1.00 0.00 H new ATOM 0 HD3 LYS A 78 73.055 3.055 -21.208 1.00 0.00 H new ATOM 0 HE2 LYS A 78 73.283 1.150 -22.891 1.00 0.00 H new ATOM 0 HE3 LYS A 78 72.158 2.011 -23.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 74.484 2.464 -24.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 73.666 3.879 -24.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 74.736 3.127 -22.934 1.00 0.00 H new ATOM 1264 N GLU A 79 69.395 -0.594 -20.263 1.00 0.00 N ATOM 1265 CA GLU A 79 68.638 -1.591 -21.019 1.00 0.00 C ATOM 1266 C GLU A 79 67.751 -2.422 -20.090 1.00 0.00 C ATOM 1267 O GLU A 79 66.634 -2.792 -20.450 1.00 0.00 O ATOM 1268 CB GLU A 79 69.589 -2.508 -21.795 1.00 0.00 C ATOM 1269 CG GLU A 79 69.914 -2.004 -23.192 1.00 0.00 C ATOM 1270 CD GLU A 79 71.181 -2.617 -23.753 1.00 0.00 C ATOM 1271 OE1 GLU A 79 71.091 -3.675 -24.412 1.00 0.00 O ATOM 1272 OE2 GLU A 79 72.271 -2.042 -23.526 1.00 0.00 O ATOM 0 H GLU A 79 70.319 -0.905 -19.964 1.00 0.00 H new ATOM 0 HA GLU A 79 67.998 -1.064 -21.727 1.00 0.00 H new ATOM 0 HB2 GLU A 79 70.516 -2.617 -21.232 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.144 -3.500 -21.870 1.00 0.00 H new ATOM 0 HG2 GLU A 79 69.081 -2.228 -23.858 1.00 0.00 H new ATOM 0 HG3 GLU A 79 70.020 -0.919 -23.167 1.00 0.00 H new ATOM 1279 N LEU A 80 68.260 -2.716 -18.892 1.00 0.00 N ATOM 1280 CA LEU A 80 67.515 -3.501 -17.901 1.00 0.00 C ATOM 1281 C LEU A 80 66.373 -2.699 -17.253 1.00 0.00 C ATOM 1282 O LEU A 80 65.487 -3.276 -16.622 1.00 0.00 O ATOM 1283 CB LEU A 80 68.466 -4.019 -16.819 1.00 0.00 C ATOM 1284 CG LEU A 80 69.451 -5.094 -17.285 1.00 0.00 C ATOM 1285 CD1 LEU A 80 70.410 -5.462 -16.166 1.00 0.00 C ATOM 1286 CD2 LEU A 80 68.706 -6.327 -17.774 1.00 0.00 C ATOM 0 H LEU A 80 69.187 -2.423 -18.583 1.00 0.00 H new ATOM 0 HA LEU A 80 67.063 -4.340 -18.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 69.032 -3.177 -16.420 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.873 -4.422 -15.998 1.00 0.00 H new ATOM 0 HG LEU A 80 70.030 -4.690 -18.115 1.00 0.00 H new ATOM 0 HD11 LEU A 80 71.102 -6.227 -16.517 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.970 -4.578 -15.862 1.00 0.00 H new ATOM 0 HD13 LEU A 80 69.847 -5.845 -15.315 1.00 0.00 H new ATOM 0 HD21 LEU A 80 69.423 -7.080 -18.101 1.00 0.00 H new ATOM 0 HD22 LEU A 80 68.100 -6.731 -16.963 1.00 0.00 H new ATOM 0 HD23 LEU A 80 68.060 -6.055 -18.609 1.00 0.00 H new ATOM 1298 N GLY A 81 66.401 -1.372 -17.402 1.00 0.00 N ATOM 1299 CA GLY A 81 65.354 -0.538 -16.838 1.00 0.00 C ATOM 1300 C GLY A 81 65.669 0.006 -15.454 1.00 0.00 C ATOM 1301 O GLY A 81 64.792 0.048 -14.590 1.00 0.00 O ATOM 0 H GLY A 81 67.130 -0.864 -17.903 1.00 0.00 H new ATOM 0 HA2 GLY A 81 65.169 0.299 -17.512 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.432 -1.117 -16.788 1.00 0.00 H new ATOM 1305 N MET A 82 66.911 0.428 -15.232 1.00 0.00 N ATOM 1306 CA MET A 82 67.294 0.989 -13.934 1.00 0.00 C ATOM 1307 C MET A 82 67.029 2.494 -13.903 1.00 0.00 C ATOM 1308 O MET A 82 67.052 3.163 -14.937 1.00 0.00 O ATOM 1309 CB MET A 82 68.763 0.691 -13.598 1.00 0.00 C ATOM 1310 CG MET A 82 68.930 -0.488 -12.651 1.00 0.00 C ATOM 1311 SD MET A 82 70.503 -1.344 -12.865 1.00 0.00 S ATOM 1312 CE MET A 82 69.939 -3.033 -13.050 1.00 0.00 C ATOM 0 H MET A 82 67.662 0.395 -15.921 1.00 0.00 H new ATOM 0 HA MET A 82 66.680 0.509 -13.172 1.00 0.00 H new ATOM 0 HB2 MET A 82 69.307 0.488 -14.521 1.00 0.00 H new ATOM 0 HB3 MET A 82 69.214 1.576 -13.150 1.00 0.00 H new ATOM 0 HG2 MET A 82 68.851 -0.135 -11.623 1.00 0.00 H new ATOM 0 HG3 MET A 82 68.114 -1.193 -12.810 1.00 0.00 H new ATOM 0 HE1 MET A 82 70.797 -3.690 -13.192 1.00 0.00 H new ATOM 0 HE2 MET A 82 69.395 -3.335 -12.155 1.00 0.00 H new ATOM 0 HE3 MET A 82 69.281 -3.104 -13.916 1.00 0.00 H new ATOM 1322 N GLU A 83 66.787 3.019 -12.709 1.00 0.00 N ATOM 1323 CA GLU A 83 66.485 4.438 -12.542 1.00 0.00 C ATOM 1324 C GLU A 83 67.333 5.054 -11.434 1.00 0.00 C ATOM 1325 O GLU A 83 68.205 4.388 -10.885 1.00 0.00 O ATOM 1326 CB GLU A 83 64.989 4.640 -12.247 1.00 0.00 C ATOM 1327 CG GLU A 83 64.519 4.034 -10.930 1.00 0.00 C ATOM 1328 CD GLU A 83 63.800 5.038 -10.048 1.00 0.00 C ATOM 1329 OE1 GLU A 83 64.482 5.701 -9.235 1.00 0.00 O ATOM 1330 OE2 GLU A 83 62.565 5.164 -10.172 1.00 0.00 O ATOM 0 H GLU A 83 66.794 2.485 -11.840 1.00 0.00 H new ATOM 0 HA GLU A 83 66.729 4.945 -13.476 1.00 0.00 H new ATOM 0 HB2 GLU A 83 64.774 5.709 -12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 83 64.409 4.205 -13.061 1.00 0.00 H new ATOM 0 HG2 GLU A 83 63.853 3.196 -11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 83 65.378 3.633 -10.392 1.00 0.00 H new ATOM 1337 N GLU A 84 67.086 6.340 -11.155 1.00 0.00 N ATOM 1338 CA GLU A 84 67.795 7.102 -10.103 1.00 0.00 C ATOM 1339 C GLU A 84 68.220 6.259 -8.879 1.00 0.00 C ATOM 1340 O GLU A 84 69.368 6.352 -8.445 1.00 0.00 O ATOM 1341 CB GLU A 84 66.923 8.270 -9.633 1.00 0.00 C ATOM 1342 CG GLU A 84 67.125 9.550 -10.435 1.00 0.00 C ATOM 1343 CD GLU A 84 67.868 10.618 -9.653 1.00 0.00 C ATOM 1344 OE1 GLU A 84 67.306 11.127 -8.659 1.00 0.00 O ATOM 1345 OE2 GLU A 84 69.009 10.948 -10.037 1.00 0.00 O ATOM 0 H GLU A 84 66.386 6.890 -11.652 1.00 0.00 H new ATOM 0 HA GLU A 84 68.716 7.457 -10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 84 65.875 7.976 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 84 67.138 8.472 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 84 67.679 9.320 -11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 84 66.154 9.939 -10.742 1.00 0.00 H new ATOM 1352 N GLU A 85 67.304 5.457 -8.310 1.00 0.00 N ATOM 1353 CA GLU A 85 67.635 4.627 -7.140 1.00 0.00 C ATOM 1354 C GLU A 85 68.771 3.636 -7.439 1.00 0.00 C ATOM 1355 O GLU A 85 69.652 3.436 -6.604 1.00 0.00 O ATOM 1356 CB GLU A 85 66.398 3.858 -6.655 1.00 0.00 C ATOM 1357 CG GLU A 85 65.569 4.615 -5.625 1.00 0.00 C ATOM 1358 CD GLU A 85 64.091 4.647 -5.969 1.00 0.00 C ATOM 1359 OE1 GLU A 85 63.663 3.863 -6.842 1.00 0.00 O ATOM 1360 OE2 GLU A 85 63.360 5.460 -5.362 1.00 0.00 O ATOM 0 H GLU A 85 66.342 5.366 -8.636 1.00 0.00 H new ATOM 0 HA GLU A 85 67.974 5.304 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 85 65.768 3.623 -7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 85 66.717 2.909 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 85 65.700 4.151 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 85 65.941 5.636 -5.545 1.00 0.00 H new ATOM 1367 N ASP A 86 68.744 3.028 -8.636 1.00 0.00 N ATOM 1368 CA ASP A 86 69.784 2.081 -9.073 1.00 0.00 C ATOM 1369 C ASP A 86 70.045 0.934 -8.076 1.00 0.00 C ATOM 1370 O ASP A 86 71.100 0.302 -8.115 1.00 0.00 O ATOM 1371 CB ASP A 86 71.074 2.839 -9.378 1.00 0.00 C ATOM 1372 CG ASP A 86 71.220 3.168 -10.851 1.00 0.00 C ATOM 1373 OD1 ASP A 86 70.753 2.366 -11.685 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.806 4.223 -11.170 1.00 0.00 O ATOM 0 H ASP A 86 68.006 3.177 -9.324 1.00 0.00 H new ATOM 0 HA ASP A 86 69.410 1.600 -9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 86 71.095 3.762 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 86 71.927 2.242 -9.056 1.00 0.00 H new ATOM 1379 N VAL A 87 69.088 0.672 -7.185 1.00 0.00 N ATOM 1380 CA VAL A 87 69.241 -0.373 -6.173 1.00 0.00 C ATOM 1381 C VAL A 87 68.988 -1.769 -6.753 1.00 0.00 C ATOM 1382 O VAL A 87 67.911 -2.055 -7.283 1.00 0.00 O ATOM 1383 CB VAL A 87 68.263 -0.148 -4.998 1.00 0.00 C ATOM 1384 CG1 VAL A 87 68.473 -1.183 -3.903 1.00 0.00 C ATOM 1385 CG2 VAL A 87 68.397 1.260 -4.437 1.00 0.00 C ATOM 0 H VAL A 87 68.198 1.169 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 87 70.270 -0.315 -5.820 1.00 0.00 H new ATOM 0 HB VAL A 87 67.251 -0.265 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 87 67.771 -1.000 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 87 68.306 -2.181 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 87 69.493 -1.111 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 87 67.697 1.391 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 87 69.415 1.413 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 87 68.175 1.986 -5.219 1.00 0.00 H new ATOM 1395 N ILE A 88 69.996 -2.634 -6.645 1.00 0.00 N ATOM 1396 CA ILE A 88 69.911 -4.008 -7.148 1.00 0.00 C ATOM 1397 C ILE A 88 69.995 -5.014 -5.995 1.00 0.00 C ATOM 1398 O ILE A 88 70.588 -4.732 -4.954 1.00 0.00 O ATOM 1399 CB ILE A 88 71.023 -4.322 -8.177 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.421 -3.062 -8.958 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.562 -5.412 -9.134 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.640 -3.244 -9.840 1.00 0.00 C ATOM 0 H ILE A 88 70.890 -2.406 -6.210 1.00 0.00 H new ATOM 0 HA ILE A 88 68.946 -4.099 -7.647 1.00 0.00 H new ATOM 0 HB ILE A 88 71.899 -4.676 -7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.580 -2.750 -9.577 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.613 -2.255 -8.252 1.00 0.00 H new ATOM 0 HG21 ILE A 88 71.353 -5.624 -9.853 1.00 0.00 H new ATOM 0 HG22 ILE A 88 70.332 -6.317 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.670 -5.077 -9.664 1.00 0.00 H new ATOM 0 HD11 ILE A 88 72.857 -2.310 -10.358 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.495 -3.525 -9.225 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.446 -4.028 -10.572 1.00 0.00 H new ATOM 1414 N GLU A 89 69.402 -6.192 -6.180 1.00 0.00 N ATOM 1415 CA GLU A 89 69.411 -7.223 -5.140 1.00 0.00 C ATOM 1416 C GLU A 89 70.030 -8.533 -5.641 1.00 0.00 C ATOM 1417 O GLU A 89 70.061 -8.804 -6.842 1.00 0.00 O ATOM 1418 CB GLU A 89 67.985 -7.481 -4.631 1.00 0.00 C ATOM 1419 CG GLU A 89 67.924 -7.965 -3.190 1.00 0.00 C ATOM 1420 CD GLU A 89 66.581 -7.701 -2.540 1.00 0.00 C ATOM 1421 OE1 GLU A 89 66.413 -6.617 -1.940 1.00 0.00 O ATOM 1422 OE2 GLU A 89 65.693 -8.576 -2.631 1.00 0.00 O ATOM 0 H GLU A 89 68.912 -6.457 -7.034 1.00 0.00 H new ATOM 0 HA GLU A 89 70.027 -6.853 -4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 89 67.406 -6.562 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.509 -8.222 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 89 68.133 -9.034 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 89 68.706 -7.472 -2.612 1.00 0.00 H new ATOM 1429 N VAL A 90 70.538 -9.335 -4.707 1.00 0.00 N ATOM 1430 CA VAL A 90 71.143 -10.624 -5.036 1.00 0.00 C ATOM 1431 C VAL A 90 70.296 -11.776 -4.486 1.00 0.00 C ATOM 1432 O VAL A 90 69.680 -11.650 -3.426 1.00 0.00 O ATOM 1433 CB VAL A 90 72.582 -10.741 -4.478 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.349 -11.845 -5.193 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.323 -9.418 -4.599 1.00 0.00 C ATOM 0 H VAL A 90 70.542 -9.113 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 90 71.186 -10.687 -6.123 1.00 0.00 H new ATOM 0 HB VAL A 90 72.511 -10.997 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.358 -11.910 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.837 -12.796 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.402 -11.620 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.331 -9.528 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 90 73.378 -9.126 -5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.792 -8.651 -4.036 1.00 0.00 H new ATOM 1445 N TYR A 91 70.270 -12.897 -5.201 1.00 0.00 N ATOM 1446 CA TYR A 91 69.485 -14.056 -4.772 1.00 0.00 C ATOM 1447 C TYR A 91 70.359 -15.302 -4.613 1.00 0.00 C ATOM 1448 O TYR A 91 71.338 -15.489 -5.336 1.00 0.00 O ATOM 1449 CB TYR A 91 68.350 -14.340 -5.764 1.00 0.00 C ATOM 1450 CG TYR A 91 66.974 -14.294 -5.140 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.423 -13.090 -4.717 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.225 -15.453 -4.979 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.165 -13.042 -4.148 1.00 0.00 C ATOM 1454 CE2 TYR A 91 64.965 -15.413 -4.410 1.00 0.00 C ATOM 1455 CZ TYR A 91 64.441 -14.206 -3.998 1.00 0.00 C ATOM 1456 OH TYR A 91 63.186 -14.164 -3.432 1.00 0.00 O ATOM 0 H TYR A 91 70.779 -13.030 -6.075 1.00 0.00 H new ATOM 0 HA TYR A 91 69.057 -13.814 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.397 -13.612 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.505 -15.323 -6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.988 -12.177 -4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 91 66.633 -16.399 -5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.751 -12.099 -3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 91 64.395 -16.322 -4.289 1.00 0.00 H new ATOM 0 HH TYR A 91 62.811 -15.069 -3.400 1.00 0.00 H new ATOM 1466 N GLN A 92 69.991 -16.150 -3.657 1.00 0.00 N ATOM 1467 CA GLN A 92 70.731 -17.382 -3.385 1.00 0.00 C ATOM 1468 C GLN A 92 70.053 -18.586 -4.044 1.00 0.00 C ATOM 1469 O GLN A 92 68.860 -18.819 -3.856 1.00 0.00 O ATOM 1470 CB GLN A 92 70.831 -17.606 -1.871 1.00 0.00 C ATOM 1471 CG GLN A 92 72.240 -17.911 -1.381 1.00 0.00 C ATOM 1472 CD GLN A 92 72.303 -18.110 0.121 1.00 0.00 C ATOM 1473 OE1 GLN A 92 72.393 -17.152 0.882 1.00 0.00 O ATOM 1474 NE2 GLN A 92 72.254 -19.357 0.558 1.00 0.00 N ATOM 0 H GLN A 92 69.181 -16.007 -3.054 1.00 0.00 H new ATOM 0 HA GLN A 92 71.732 -17.280 -3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 92 70.463 -16.717 -1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 92 70.174 -18.430 -1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 92 72.608 -18.808 -1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 92 72.904 -17.094 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 92 72.179 -20.128 -0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 92 72.291 -19.548 1.559 1.00 0.00 H new ATOM 1483 N GLU A 93 70.822 -19.348 -4.816 1.00 0.00 N ATOM 1484 CA GLU A 93 70.293 -20.528 -5.498 1.00 0.00 C ATOM 1485 C GLU A 93 71.071 -21.790 -5.113 1.00 0.00 C ATOM 1486 O GLU A 93 70.484 -22.856 -4.944 1.00 0.00 O ATOM 1487 CB GLU A 93 70.336 -20.328 -7.017 1.00 0.00 C ATOM 1488 CG GLU A 93 69.475 -21.316 -7.790 1.00 0.00 C ATOM 1489 CD GLU A 93 68.023 -20.879 -7.891 1.00 0.00 C ATOM 1490 OE1 GLU A 93 67.702 -20.093 -8.811 1.00 0.00 O ATOM 1491 OE2 GLU A 93 67.210 -21.323 -7.056 1.00 0.00 O ATOM 0 H GLU A 93 71.812 -19.171 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 93 69.258 -20.659 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.009 -19.315 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 93 71.368 -20.416 -7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 93 69.883 -21.439 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 93 69.523 -22.291 -7.304 1.00 0.00 H new