USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 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: B 57 CYS SG : rot 83:sc= 0.513 USER MOD Set 1.2: B 59 THR OG1 : rot -72:sc= 0.539 USER MOD Set 2.1: B 44 CYS SG : rot -139:sc= -0.19 USER MOD Set 2.2: B 49 CYS SG : rot 172:sc= 0.236 USER MOD Set 2.3: B 54 CYS SG : rot 180:sc= 0.233 USER MOD Set 3.1: B 37 TYR OH : rot -78:sc= 0.118 USER MOD Set 3.2: B 65 ASN : amide:sc= -1.12 K(o=-1,f=-2.7!) USER MOD Single : A 329 MET CE :methyl -145:sc= -0.145 (180deg=-0.979) USER MOD Single : A 330 GLN : amide:sc= -0.907 K(o=-0.91,f=-2.6!) USER MOD Single : A 336 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.3) USER MOD Single : A 337 SER OG : rot 75:sc= 0.156 USER MOD Single : A 341 ASN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 348 ASN : amide:sc= -1.73! C(o=-1.7!,f=-9.7!) USER MOD Single : A 349 ASN : amide:sc= -3.34! C(o=-3.3!,f=-2.6!) USER MOD Single : A 354 ASN : amide:sc= -0.0452 K(o=-0.045,f=-1.9!) USER MOD Single : A 356 MET CE :methyl -162:sc= 0 (180deg=-0.0962) USER MOD Single : A 358 SER OG : rot 180:sc= 0 USER MOD Single : B 25 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0217) USER MOD Single : B 30 LYS NZ :NH3+ -161:sc= -0.0271 (180deg=-0.435) USER MOD Single : B 31 HIS : no HD1:sc= -1.3 K(o=-1.3,f=0.069) USER MOD Single : B 36 TYR OH : rot 165:sc= 1.17 USER MOD Single : B 38 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.038) USER MOD Single : B 39 GLN : amide:sc= -0.55 K(o=-0.55,f=-2.4!) USER MOD Single : B 41 THR OG1 : rot -80:sc= 0.464 USER MOD Single : B 46 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.8!) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -0.431 K(o=-0.43,f=-1.3!) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 63 MET CE :methyl -160:sc= -0.0456 (180deg=-0.584) USER MOD Single : B 66 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.38) USER MOD Single : B 71 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.196) USER MOD Single : B 76 TYR OH : rot 30:sc= -0.0212 USER MOD Single : B 77 LYS NZ :NH3+ 150:sc= -0.136 (180deg=-0.699) USER MOD Single : B 79 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.6!) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 299 N ASP A 327 41.678 2.340 -6.374 1.00 0.00 N ATOM 300 CA ASP A 327 43.043 2.262 -5.868 1.00 0.00 C ATOM 301 C ASP A 327 43.052 2.386 -4.349 1.00 0.00 C ATOM 302 O ASP A 327 42.582 3.378 -3.793 1.00 0.00 O ATOM 303 CB ASP A 327 43.888 3.381 -6.478 1.00 0.00 C ATOM 304 CG ASP A 327 44.144 3.097 -7.955 1.00 0.00 C ATOM 305 OD1 ASP A 327 43.902 1.977 -8.373 1.00 0.00 O ATOM 306 OD2 ASP A 327 44.578 4.005 -8.645 1.00 0.00 O ATOM 0 HA ASP A 327 43.464 1.296 -6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 327 43.376 4.337 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 327 44.836 3.464 -5.946 1.00 0.00 H new ATOM 311 N VAL A 328 43.590 1.373 -3.686 1.00 0.00 N ATOM 312 CA VAL A 328 43.660 1.371 -2.230 1.00 0.00 C ATOM 313 C VAL A 328 44.558 2.500 -1.732 1.00 0.00 C ATOM 314 O VAL A 328 44.274 3.133 -0.716 1.00 0.00 O ATOM 315 CB VAL A 328 44.198 0.031 -1.732 1.00 0.00 C ATOM 316 CG1 VAL A 328 44.444 0.111 -0.223 1.00 0.00 C ATOM 317 CG2 VAL A 328 43.181 -1.070 -2.031 1.00 0.00 C ATOM 0 H VAL A 328 43.984 0.544 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 328 42.654 1.524 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 328 45.135 -0.198 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 328 44.828 -0.845 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 328 45.171 0.895 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 328 43.508 0.339 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 328 43.565 -2.026 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 328 42.242 -0.845 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 328 43.010 -1.125 -3.106 1.00 0.00 H new ATOM 327 N MET A 329 45.658 2.725 -2.437 1.00 0.00 N ATOM 328 CA MET A 329 46.610 3.754 -2.043 1.00 0.00 C ATOM 329 C MET A 329 45.950 5.131 -2.107 1.00 0.00 C ATOM 330 O MET A 329 46.375 6.066 -1.429 1.00 0.00 O ATOM 331 CB MET A 329 47.817 3.723 -2.983 1.00 0.00 C ATOM 332 CG MET A 329 48.481 2.335 -2.955 1.00 0.00 C ATOM 333 SD MET A 329 48.898 1.848 -1.258 1.00 0.00 S ATOM 334 CE MET A 329 50.084 3.171 -0.932 1.00 0.00 C ATOM 0 H MET A 329 45.913 2.212 -3.281 1.00 0.00 H new ATOM 0 HA MET A 329 46.937 3.562 -1.021 1.00 0.00 H new ATOM 0 HB2 MET A 329 47.502 3.962 -3.999 1.00 0.00 H new ATOM 0 HB3 MET A 329 48.538 4.484 -2.685 1.00 0.00 H new ATOM 0 HG2 MET A 329 47.809 1.598 -3.394 1.00 0.00 H new ATOM 0 HG3 MET A 329 49.384 2.347 -3.566 1.00 0.00 H new ATOM 0 HE1 MET A 329 50.885 2.793 -0.297 1.00 0.00 H new ATOM 0 HE2 MET A 329 50.504 3.524 -1.874 1.00 0.00 H new ATOM 0 HE3 MET A 329 49.580 3.996 -0.428 1.00 0.00 H new ATOM 344 N GLN A 330 44.905 5.245 -2.919 1.00 0.00 N ATOM 345 CA GLN A 330 44.191 6.508 -3.052 1.00 0.00 C ATOM 346 C GLN A 330 43.142 6.649 -1.951 1.00 0.00 C ATOM 347 O GLN A 330 42.385 7.620 -1.926 1.00 0.00 O ATOM 348 CB GLN A 330 43.512 6.599 -4.417 1.00 0.00 C ATOM 349 CG GLN A 330 44.571 6.702 -5.517 1.00 0.00 C ATOM 350 CD GLN A 330 43.899 6.811 -6.880 1.00 0.00 C ATOM 351 OE1 GLN A 330 42.696 6.578 -7.002 1.00 0.00 O ATOM 352 NE2 GLN A 330 44.608 7.154 -7.921 1.00 0.00 N ATOM 0 H GLN A 330 44.536 4.485 -3.490 1.00 0.00 H new ATOM 0 HA GLN A 330 44.916 7.316 -2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 330 42.887 5.721 -4.582 1.00 0.00 H new ATOM 0 HB3 GLN A 330 42.855 7.468 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 330 45.203 7.573 -5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 330 45.220 5.827 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 330 45.604 7.347 -7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 330 44.166 7.229 -8.837 1.00 0.00 H new ATOM 361 N ASP A 331 43.109 5.673 -1.048 1.00 0.00 N ATOM 362 CA ASP A 331 42.158 5.686 0.059 1.00 0.00 C ATOM 363 C ASP A 331 42.903 5.592 1.388 1.00 0.00 C ATOM 364 O ASP A 331 42.906 4.542 2.041 1.00 0.00 O ATOM 365 CB ASP A 331 41.184 4.515 -0.072 1.00 0.00 C ATOM 366 CG ASP A 331 40.401 4.655 -1.372 1.00 0.00 C ATOM 367 OD1 ASP A 331 41.015 4.575 -2.422 1.00 0.00 O ATOM 368 OD2 ASP A 331 39.201 4.858 -1.296 1.00 0.00 O ATOM 0 H ASP A 331 43.730 4.864 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 331 41.597 6.620 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 331 41.729 3.571 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 331 40.501 4.498 0.777 1.00 0.00 H new ATOM 373 N PRO A 332 43.553 6.662 1.797 1.00 0.00 N ATOM 374 CA PRO A 332 44.329 6.687 3.073 1.00 0.00 C ATOM 375 C PRO A 332 43.437 6.483 4.293 1.00 0.00 C ATOM 376 O PRO A 332 43.887 5.980 5.321 1.00 0.00 O ATOM 377 CB PRO A 332 44.984 8.074 3.089 1.00 0.00 C ATOM 378 CG PRO A 332 44.180 8.910 2.155 1.00 0.00 C ATOM 379 CD PRO A 332 43.626 7.963 1.097 1.00 0.00 C ATOM 0 HA PRO A 332 45.057 5.877 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 332 44.981 8.497 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 332 46.024 8.019 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 332 43.373 9.416 2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 332 44.796 9.684 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 332 42.646 8.284 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 332 44.277 7.912 0.224 1.00 0.00 H new ATOM 387 N GLU A 333 42.173 6.872 4.173 1.00 0.00 N ATOM 388 CA GLU A 333 41.242 6.719 5.281 1.00 0.00 C ATOM 389 C GLU A 333 41.071 5.244 5.631 1.00 0.00 C ATOM 390 O GLU A 333 41.094 4.867 6.803 1.00 0.00 O ATOM 391 CB GLU A 333 39.885 7.318 4.901 1.00 0.00 C ATOM 392 CG GLU A 333 40.000 8.842 4.826 1.00 0.00 C ATOM 393 CD GLU A 333 38.676 9.444 4.370 1.00 0.00 C ATOM 394 OE1 GLU A 333 37.806 8.685 3.976 1.00 0.00 O ATOM 395 OE2 GLU A 333 38.549 10.657 4.424 1.00 0.00 O ATOM 0 H GLU A 333 41.775 7.290 3.332 1.00 0.00 H new ATOM 0 HA GLU A 333 41.641 7.243 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 333 39.557 6.920 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 333 39.132 7.036 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 333 40.274 9.243 5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 333 40.794 9.121 4.133 1.00 0.00 H new ATOM 402 N PHE A 334 40.918 4.414 4.605 1.00 0.00 N ATOM 403 CA PHE A 334 40.763 2.979 4.812 1.00 0.00 C ATOM 404 C PHE A 334 42.050 2.380 5.365 1.00 0.00 C ATOM 405 O PHE A 334 42.026 1.565 6.289 1.00 0.00 O ATOM 406 CB PHE A 334 40.387 2.289 3.498 1.00 0.00 C ATOM 407 CG PHE A 334 40.160 0.816 3.748 1.00 0.00 C ATOM 408 CD1 PHE A 334 38.962 0.383 4.331 1.00 0.00 C ATOM 409 CD2 PHE A 334 41.143 -0.119 3.395 1.00 0.00 C ATOM 410 CE1 PHE A 334 38.748 -0.980 4.566 1.00 0.00 C ATOM 411 CE2 PHE A 334 40.928 -1.482 3.630 1.00 0.00 C ATOM 412 CZ PHE A 334 39.732 -1.913 4.214 1.00 0.00 C ATOM 0 H PHE A 334 40.898 4.707 3.628 1.00 0.00 H new ATOM 0 HA PHE A 334 39.963 2.820 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 334 39.486 2.741 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 334 41.180 2.426 2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 334 38.202 1.102 4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 334 42.066 0.212 2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 334 37.825 -1.312 5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 334 41.686 -2.202 3.360 1.00 0.00 H new ATOM 0 HZ PHE A 334 39.567 -2.965 4.394 1.00 0.00 H new ATOM 422 N LEU A 335 43.174 2.790 4.785 1.00 0.00 N ATOM 423 CA LEU A 335 44.472 2.286 5.221 1.00 0.00 C ATOM 424 C LEU A 335 44.740 2.672 6.670 1.00 0.00 C ATOM 425 O LEU A 335 45.279 1.880 7.444 1.00 0.00 O ATOM 426 CB LEU A 335 45.581 2.852 4.330 1.00 0.00 C ATOM 427 CG LEU A 335 45.488 2.233 2.931 1.00 0.00 C ATOM 428 CD1 LEU A 335 46.468 2.940 1.992 1.00 0.00 C ATOM 429 CD2 LEU A 335 45.824 0.735 2.982 1.00 0.00 C ATOM 0 H LEU A 335 43.213 3.463 4.020 1.00 0.00 H new ATOM 0 HA LEU A 335 44.460 1.199 5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 335 45.490 3.936 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 335 46.556 2.639 4.768 1.00 0.00 H new ATOM 0 HG LEU A 335 44.469 2.354 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 335 46.401 2.499 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 335 46.219 4.000 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 335 47.483 2.825 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 335 45.753 0.312 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 335 46.837 0.602 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 335 45.120 0.227 3.641 1.00 0.00 H new ATOM 441 N GLN A 336 44.361 3.890 7.033 1.00 0.00 N ATOM 442 CA GLN A 336 44.567 4.364 8.392 1.00 0.00 C ATOM 443 C GLN A 336 43.798 3.492 9.378 1.00 0.00 C ATOM 444 O GLN A 336 44.304 3.152 10.447 1.00 0.00 O ATOM 445 CB GLN A 336 44.093 5.816 8.513 1.00 0.00 C ATOM 446 CG GLN A 336 44.441 6.375 9.898 1.00 0.00 C ATOM 447 CD GLN A 336 45.953 6.424 10.081 1.00 0.00 C ATOM 448 OE1 GLN A 336 46.657 7.018 9.267 1.00 0.00 O ATOM 449 NE2 GLN A 336 46.496 5.836 11.112 1.00 0.00 N ATOM 0 H GLN A 336 43.913 4.562 6.410 1.00 0.00 H new ATOM 0 HA GLN A 336 45.630 4.309 8.625 1.00 0.00 H new ATOM 0 HB2 GLN A 336 44.561 6.424 7.739 1.00 0.00 H new ATOM 0 HB3 GLN A 336 43.016 5.869 8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 336 44.021 7.375 10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 336 43.994 5.752 10.673 1.00 0.00 H new ATOM 0 HE21 GLN A 336 45.909 5.344 11.786 1.00 0.00 H new ATOM 0 HE22 GLN A 336 47.507 5.869 11.244 1.00 0.00 H new ATOM 458 N SER A 337 42.571 3.135 9.012 1.00 0.00 N ATOM 459 CA SER A 337 41.744 2.306 9.879 1.00 0.00 C ATOM 460 C SER A 337 42.396 0.946 10.104 1.00 0.00 C ATOM 461 O SER A 337 42.388 0.419 11.215 1.00 0.00 O ATOM 462 CB SER A 337 40.364 2.115 9.251 1.00 0.00 C ATOM 463 OG SER A 337 39.695 3.368 9.200 1.00 0.00 O ATOM 0 H SER A 337 42.132 3.403 8.131 1.00 0.00 H new ATOM 0 HA SER A 337 41.641 2.808 10.841 1.00 0.00 H new ATOM 0 HB2 SER A 337 40.462 1.701 8.248 1.00 0.00 H new ATOM 0 HB3 SER A 337 39.782 1.402 9.834 1.00 0.00 H new ATOM 0 HG SER A 337 40.081 3.916 8.485 1.00 0.00 H new ATOM 469 N VAL A 338 42.960 0.387 9.042 1.00 0.00 N ATOM 470 CA VAL A 338 43.613 -0.912 9.133 1.00 0.00 C ATOM 471 C VAL A 338 44.813 -0.843 10.074 1.00 0.00 C ATOM 472 O VAL A 338 45.015 -1.727 10.909 1.00 0.00 O ATOM 473 CB VAL A 338 44.068 -1.367 7.744 1.00 0.00 C ATOM 474 CG1 VAL A 338 44.930 -2.625 7.873 1.00 0.00 C ATOM 475 CG2 VAL A 338 42.843 -1.675 6.878 1.00 0.00 C ATOM 0 H VAL A 338 42.979 0.809 8.114 1.00 0.00 H new ATOM 0 HA VAL A 338 42.898 -1.632 9.531 1.00 0.00 H new ATOM 0 HB VAL A 338 44.652 -0.573 7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 338 45.253 -2.948 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 338 45.804 -2.406 8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 338 44.348 -3.419 8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 338 43.168 -1.999 5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 338 42.257 -2.467 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 338 42.230 -0.779 6.783 1.00 0.00 H new ATOM 485 N LEU A 339 45.608 0.212 9.935 1.00 0.00 N ATOM 486 CA LEU A 339 46.786 0.380 10.775 1.00 0.00 C ATOM 487 C LEU A 339 46.385 0.479 12.243 1.00 0.00 C ATOM 488 O LEU A 339 47.032 -0.099 13.114 1.00 0.00 O ATOM 489 CB LEU A 339 47.535 1.649 10.362 1.00 0.00 C ATOM 490 CG LEU A 339 48.176 1.451 8.981 1.00 0.00 C ATOM 491 CD1 LEU A 339 48.764 2.777 8.494 1.00 0.00 C ATOM 492 CD2 LEU A 339 49.291 0.397 9.050 1.00 0.00 C ATOM 0 H LEU A 339 45.460 0.957 9.255 1.00 0.00 H new ATOM 0 HA LEU A 339 47.434 -0.487 10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 339 46.848 2.495 10.336 1.00 0.00 H new ATOM 0 HB3 LEU A 339 48.303 1.885 11.099 1.00 0.00 H new ATOM 0 HG LEU A 339 47.408 1.108 8.287 1.00 0.00 H new ATOM 0 HD11 LEU A 339 49.219 2.635 7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 339 47.971 3.522 8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 339 49.521 3.120 9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 339 49.734 0.270 8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 339 50.058 0.724 9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 339 48.874 -0.553 9.385 1.00 0.00 H new ATOM 504 N GLU A 340 45.308 1.203 12.508 1.00 0.00 N ATOM 505 CA GLU A 340 44.821 1.355 13.873 1.00 0.00 C ATOM 506 C GLU A 340 44.388 0.010 14.441 1.00 0.00 C ATOM 507 O GLU A 340 44.628 -0.289 15.610 1.00 0.00 O ATOM 508 CB GLU A 340 43.649 2.333 13.906 1.00 0.00 C ATOM 509 CG GLU A 340 43.150 2.486 15.346 1.00 0.00 C ATOM 510 CD GLU A 340 42.081 3.568 15.414 1.00 0.00 C ATOM 511 OE1 GLU A 340 41.816 4.177 14.390 1.00 0.00 O ATOM 512 OE2 GLU A 340 41.539 3.772 16.487 1.00 0.00 O ATOM 0 H GLU A 340 44.757 1.692 11.802 1.00 0.00 H new ATOM 0 HA GLU A 340 45.632 1.747 14.486 1.00 0.00 H new ATOM 0 HB2 GLU A 340 43.959 3.301 13.513 1.00 0.00 H new ATOM 0 HB3 GLU A 340 42.843 1.972 13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 340 42.744 1.539 15.701 1.00 0.00 H new ATOM 0 HG3 GLU A 340 43.981 2.743 16.002 1.00 0.00 H new ATOM 519 N ASN A 341 43.745 -0.794 13.605 1.00 0.00 N ATOM 520 CA ASN A 341 43.275 -2.102 14.029 1.00 0.00 C ATOM 521 C ASN A 341 44.445 -2.950 14.501 1.00 0.00 C ATOM 522 O ASN A 341 44.314 -3.732 15.439 1.00 0.00 O ATOM 523 CB ASN A 341 42.568 -2.808 12.872 1.00 0.00 C ATOM 524 CG ASN A 341 42.000 -4.142 13.343 1.00 0.00 C ATOM 525 OD1 ASN A 341 41.176 -4.181 14.256 1.00 0.00 O ATOM 526 ND2 ASN A 341 42.397 -5.246 12.770 1.00 0.00 N ATOM 0 H ASN A 341 43.538 -0.563 12.633 1.00 0.00 H new ATOM 0 HA ASN A 341 42.572 -1.969 14.852 1.00 0.00 H new ATOM 0 HB2 ASN A 341 41.766 -2.178 12.486 1.00 0.00 H new ATOM 0 HB3 ASN A 341 43.268 -2.971 12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 341 42.024 -6.144 13.079 1.00 0.00 H new ATOM 0 HD22 ASN A 341 43.080 -5.211 12.013 1.00 0.00 H new ATOM 533 N LEU A 342 45.583 -2.810 13.839 1.00 0.00 N ATOM 534 CA LEU A 342 46.750 -3.603 14.206 1.00 0.00 C ATOM 535 C LEU A 342 47.122 -3.388 15.682 1.00 0.00 C ATOM 536 O LEU A 342 46.978 -2.283 16.216 1.00 0.00 O ATOM 537 CB LEU A 342 47.942 -3.226 13.326 1.00 0.00 C ATOM 538 CG LEU A 342 47.658 -3.620 11.872 1.00 0.00 C ATOM 539 CD1 LEU A 342 48.785 -3.111 10.972 1.00 0.00 C ATOM 540 CD2 LEU A 342 47.554 -5.145 11.744 1.00 0.00 C ATOM 0 H LEU A 342 45.725 -2.168 13.059 1.00 0.00 H new ATOM 0 HA LEU A 342 46.500 -4.653 14.056 1.00 0.00 H new ATOM 0 HB2 LEU A 342 48.130 -2.154 13.392 1.00 0.00 H new ATOM 0 HB3 LEU A 342 48.841 -3.730 13.680 1.00 0.00 H new ATOM 0 HG LEU A 342 46.712 -3.172 11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 342 48.581 -3.392 9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 342 48.848 -2.025 11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 342 49.730 -3.552 11.288 1.00 0.00 H new ATOM 0 HD21 LEU A 342 47.352 -5.410 10.706 1.00 0.00 H new ATOM 0 HD22 LEU A 342 48.492 -5.601 12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 342 46.744 -5.509 12.376 1.00 0.00 H new ATOM 552 N PRO A 343 47.585 -4.418 16.358 1.00 0.00 N ATOM 553 CA PRO A 343 47.958 -4.318 17.800 1.00 0.00 C ATOM 554 C PRO A 343 49.211 -3.477 18.020 1.00 0.00 C ATOM 555 O PRO A 343 50.193 -3.600 17.288 1.00 0.00 O ATOM 556 CB PRO A 343 48.199 -5.774 18.212 1.00 0.00 C ATOM 557 CG PRO A 343 48.567 -6.483 16.953 1.00 0.00 C ATOM 558 CD PRO A 343 47.810 -5.780 15.831 1.00 0.00 C ATOM 0 HA PRO A 343 47.184 -3.824 18.387 1.00 0.00 H new ATOM 0 HB2 PRO A 343 48.996 -5.847 18.952 1.00 0.00 H new ATOM 0 HB3 PRO A 343 47.306 -6.209 18.662 1.00 0.00 H new ATOM 0 HG2 PRO A 343 49.643 -6.441 16.783 1.00 0.00 H new ATOM 0 HG3 PRO A 343 48.294 -7.537 17.006 1.00 0.00 H new ATOM 0 HD2 PRO A 343 48.389 -5.761 14.908 1.00 0.00 H new ATOM 0 HD3 PRO A 343 46.869 -6.283 15.607 1.00 0.00 H new ATOM 566 N GLY A 344 49.166 -2.629 19.039 1.00 0.00 N ATOM 567 CA GLY A 344 50.301 -1.779 19.358 1.00 0.00 C ATOM 568 C GLY A 344 50.431 -0.648 18.349 1.00 0.00 C ATOM 569 O GLY A 344 51.420 0.083 18.357 1.00 0.00 O ATOM 0 H GLY A 344 48.361 -2.513 19.654 1.00 0.00 H new ATOM 0 HA2 GLY A 344 50.182 -1.366 20.360 1.00 0.00 H new ATOM 0 HA3 GLY A 344 51.215 -2.373 19.365 1.00 0.00 H new ATOM 573 N VAL A 345 49.436 -0.512 17.475 1.00 0.00 N ATOM 574 CA VAL A 345 49.472 0.533 16.463 1.00 0.00 C ATOM 575 C VAL A 345 48.402 1.575 16.744 1.00 0.00 C ATOM 576 O VAL A 345 47.223 1.246 16.857 1.00 0.00 O ATOM 577 CB VAL A 345 49.233 -0.075 15.083 1.00 0.00 C ATOM 578 CG1 VAL A 345 49.322 1.018 14.016 1.00 0.00 C ATOM 579 CG2 VAL A 345 50.288 -1.148 14.810 1.00 0.00 C ATOM 0 H VAL A 345 48.607 -1.105 17.449 1.00 0.00 H new ATOM 0 HA VAL A 345 50.452 1.010 16.489 1.00 0.00 H new ATOM 0 HB VAL A 345 48.241 -0.526 15.052 1.00 0.00 H new ATOM 0 HG11 VAL A 345 49.151 0.581 13.032 1.00 0.00 H new ATOM 0 HG12 VAL A 345 48.567 1.779 14.211 1.00 0.00 H new ATOM 0 HG13 VAL A 345 50.312 1.474 14.043 1.00 0.00 H new ATOM 0 HG21 VAL A 345 50.118 -1.583 13.825 1.00 0.00 H new ATOM 0 HG22 VAL A 345 51.281 -0.699 14.842 1.00 0.00 H new ATOM 0 HG23 VAL A 345 50.218 -1.928 15.568 1.00 0.00 H new ATOM 589 N ASP A 346 48.821 2.832 16.857 1.00 0.00 N ATOM 590 CA ASP A 346 47.881 3.915 17.123 1.00 0.00 C ATOM 591 C ASP A 346 48.095 5.077 16.146 1.00 0.00 C ATOM 592 O ASP A 346 49.220 5.333 15.717 1.00 0.00 O ATOM 593 CB ASP A 346 48.050 4.408 18.563 1.00 0.00 C ATOM 594 CG ASP A 346 47.607 3.320 19.536 1.00 0.00 C ATOM 595 OD1 ASP A 346 46.982 2.372 19.089 1.00 0.00 O ATOM 596 OD2 ASP A 346 47.892 3.452 20.715 1.00 0.00 O ATOM 0 H ASP A 346 49.795 3.124 16.770 1.00 0.00 H new ATOM 0 HA ASP A 346 46.869 3.533 16.986 1.00 0.00 H new ATOM 0 HB2 ASP A 346 49.092 4.672 18.747 1.00 0.00 H new ATOM 0 HB3 ASP A 346 47.460 5.311 18.720 1.00 0.00 H new ATOM 601 N PRO A 347 47.048 5.788 15.793 1.00 0.00 N ATOM 602 CA PRO A 347 47.145 6.948 14.856 1.00 0.00 C ATOM 603 C PRO A 347 47.912 8.121 15.463 1.00 0.00 C ATOM 604 O PRO A 347 48.399 8.994 14.745 1.00 0.00 O ATOM 605 CB PRO A 347 45.685 7.325 14.587 1.00 0.00 C ATOM 606 CG PRO A 347 44.922 6.813 15.761 1.00 0.00 C ATOM 607 CD PRO A 347 45.659 5.565 16.235 1.00 0.00 C ATOM 0 HA PRO A 347 47.696 6.694 13.950 1.00 0.00 H new ATOM 0 HB2 PRO A 347 45.570 8.404 14.484 1.00 0.00 H new ATOM 0 HB3 PRO A 347 45.328 6.877 13.660 1.00 0.00 H new ATOM 0 HG2 PRO A 347 44.876 7.562 16.552 1.00 0.00 H new ATOM 0 HG3 PRO A 347 43.894 6.577 15.485 1.00 0.00 H new ATOM 0 HD2 PRO A 347 45.597 5.451 17.317 1.00 0.00 H new ATOM 0 HD3 PRO A 347 45.239 4.661 15.794 1.00 0.00 H new ATOM 615 N ASN A 348 48.010 8.139 16.787 1.00 0.00 N ATOM 616 CA ASN A 348 48.714 9.214 17.476 1.00 0.00 C ATOM 617 C ASN A 348 50.222 8.975 17.465 1.00 0.00 C ATOM 618 O ASN A 348 50.992 9.786 17.979 1.00 0.00 O ATOM 619 CB ASN A 348 48.223 9.312 18.921 1.00 0.00 C ATOM 620 CG ASN A 348 48.623 8.060 19.697 1.00 0.00 C ATOM 621 OD1 ASN A 348 49.350 7.212 19.180 1.00 0.00 O ATOM 622 ND2 ASN A 348 48.189 7.894 20.917 1.00 0.00 N ATOM 0 H ASN A 348 47.614 7.427 17.401 1.00 0.00 H new ATOM 0 HA ASN A 348 48.507 10.148 16.953 1.00 0.00 H new ATOM 0 HB2 ASN A 348 48.647 10.196 19.398 1.00 0.00 H new ATOM 0 HB3 ASN A 348 47.139 9.429 18.938 1.00 0.00 H new ATOM 0 HD21 ASN A 348 48.452 7.061 21.443 1.00 0.00 H new ATOM 0 HD22 ASN A 348 47.587 8.598 21.344 1.00 0.00 H new ATOM 629 N ASN A 349 50.638 7.861 16.872 1.00 0.00 N ATOM 630 CA ASN A 349 52.051 7.531 16.796 1.00 0.00 C ATOM 631 C ASN A 349 52.769 8.486 15.853 1.00 0.00 C ATOM 632 O ASN A 349 52.297 8.755 14.748 1.00 0.00 O ATOM 633 CB ASN A 349 52.223 6.095 16.304 1.00 0.00 C ATOM 634 CG ASN A 349 53.579 5.552 16.740 1.00 0.00 C ATOM 635 OD1 ASN A 349 54.045 5.858 17.837 1.00 0.00 O ATOM 636 ND2 ASN A 349 54.241 4.760 15.943 1.00 0.00 N ATOM 0 H ASN A 349 50.018 7.176 16.440 1.00 0.00 H new ATOM 0 HA ASN A 349 52.485 7.627 17.791 1.00 0.00 H new ATOM 0 HB2 ASN A 349 51.426 5.468 16.703 1.00 0.00 H new ATOM 0 HB3 ASN A 349 52.141 6.062 15.218 1.00 0.00 H new ATOM 0 HD21 ASN A 349 55.148 4.392 16.228 1.00 0.00 H new ATOM 0 HD22 ASN A 349 53.851 4.509 15.035 1.00 0.00 H new ATOM 643 N GLU A 350 53.912 8.991 16.297 1.00 0.00 N ATOM 644 CA GLU A 350 54.694 9.915 15.487 1.00 0.00 C ATOM 645 C GLU A 350 55.128 9.244 14.189 1.00 0.00 C ATOM 646 O GLU A 350 55.151 9.875 13.132 1.00 0.00 O ATOM 647 CB GLU A 350 55.928 10.383 16.263 1.00 0.00 C ATOM 648 CG GLU A 350 55.498 11.320 17.393 1.00 0.00 C ATOM 649 CD GLU A 350 56.688 11.630 18.296 1.00 0.00 C ATOM 650 OE1 GLU A 350 57.659 10.894 18.236 1.00 0.00 O ATOM 651 OE2 GLU A 350 56.611 12.600 19.031 1.00 0.00 O ATOM 0 H GLU A 350 54.317 8.778 17.209 1.00 0.00 H new ATOM 0 HA GLU A 350 54.072 10.778 15.250 1.00 0.00 H new ATOM 0 HB2 GLU A 350 56.460 9.524 16.672 1.00 0.00 H new ATOM 0 HB3 GLU A 350 56.618 10.897 15.594 1.00 0.00 H new ATOM 0 HG2 GLU A 350 55.096 12.244 16.977 1.00 0.00 H new ATOM 0 HG3 GLU A 350 54.700 10.859 17.975 1.00 0.00 H new ATOM 658 N ALA A 351 55.473 7.965 14.276 1.00 0.00 N ATOM 659 CA ALA A 351 55.907 7.223 13.098 1.00 0.00 C ATOM 660 C ALA A 351 54.794 7.170 12.058 1.00 0.00 C ATOM 661 O ALA A 351 55.039 7.336 10.864 1.00 0.00 O ATOM 662 CB ALA A 351 56.303 5.800 13.496 1.00 0.00 C ATOM 0 H ALA A 351 55.461 7.424 15.141 1.00 0.00 H new ATOM 0 HA ALA A 351 56.768 7.734 12.666 1.00 0.00 H new ATOM 0 HB1 ALA A 351 56.626 5.251 12.611 1.00 0.00 H new ATOM 0 HB2 ALA A 351 57.119 5.838 14.218 1.00 0.00 H new ATOM 0 HB3 ALA A 351 55.446 5.296 13.943 1.00 0.00 H new ATOM 668 N ILE A 352 53.572 6.941 12.519 1.00 0.00 N ATOM 669 CA ILE A 352 52.433 6.872 11.613 1.00 0.00 C ATOM 670 C ILE A 352 52.221 8.202 10.907 1.00 0.00 C ATOM 671 O ILE A 352 52.016 8.249 9.696 1.00 0.00 O ATOM 672 CB ILE A 352 51.171 6.493 12.394 1.00 0.00 C ATOM 673 CG1 ILE A 352 51.268 5.038 12.872 1.00 0.00 C ATOM 674 CG2 ILE A 352 49.947 6.650 11.491 1.00 0.00 C ATOM 675 CD1 ILE A 352 50.818 4.079 11.764 1.00 0.00 C ATOM 0 H ILE A 352 53.345 6.801 13.503 1.00 0.00 H new ATOM 0 HA ILE A 352 52.638 6.111 10.860 1.00 0.00 H new ATOM 0 HB ILE A 352 51.076 7.149 13.259 1.00 0.00 H new ATOM 0 HG12 ILE A 352 52.294 4.812 13.163 1.00 0.00 H new ATOM 0 HG13 ILE A 352 50.648 4.897 13.757 1.00 0.00 H new ATOM 0 HG21 ILE A 352 49.048 6.380 12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 352 49.871 7.685 11.158 1.00 0.00 H new ATOM 0 HG23 ILE A 352 50.048 5.997 10.624 1.00 0.00 H new ATOM 0 HD11 ILE A 352 50.893 3.051 12.120 1.00 0.00 H new ATOM 0 HD12 ILE A 352 49.784 4.295 11.494 1.00 0.00 H new ATOM 0 HD13 ILE A 352 51.456 4.208 10.890 1.00 0.00 H new ATOM 687 N ARG A 353 52.270 9.280 11.671 1.00 0.00 N ATOM 688 CA ARG A 353 52.073 10.609 11.105 1.00 0.00 C ATOM 689 C ARG A 353 53.133 10.904 10.048 1.00 0.00 C ATOM 690 O ARG A 353 52.821 11.386 8.958 1.00 0.00 O ATOM 691 CB ARG A 353 52.144 11.664 12.210 1.00 0.00 C ATOM 692 CG ARG A 353 51.875 13.050 11.617 1.00 0.00 C ATOM 693 CD ARG A 353 51.813 14.084 12.743 1.00 0.00 C ATOM 694 NE ARG A 353 53.112 14.197 13.397 1.00 0.00 N ATOM 695 CZ ARG A 353 53.257 14.889 14.522 1.00 0.00 C ATOM 696 NH1 ARG A 353 54.430 14.984 15.083 1.00 0.00 N ATOM 697 NH2 ARG A 353 52.224 15.473 15.066 1.00 0.00 N ATOM 0 H ARG A 353 52.443 9.265 12.676 1.00 0.00 H new ATOM 0 HA ARG A 353 51.090 10.641 10.636 1.00 0.00 H new ATOM 0 HB2 ARG A 353 51.412 11.441 12.986 1.00 0.00 H new ATOM 0 HB3 ARG A 353 53.126 11.644 12.683 1.00 0.00 H new ATOM 0 HG2 ARG A 353 52.662 13.314 10.910 1.00 0.00 H new ATOM 0 HG3 ARG A 353 50.937 13.044 11.062 1.00 0.00 H new ATOM 0 HD2 ARG A 353 51.515 15.052 12.341 1.00 0.00 H new ATOM 0 HD3 ARG A 353 51.055 13.794 13.471 1.00 0.00 H new ATOM 0 HE ARG A 353 53.923 13.737 12.984 1.00 0.00 H new ATOM 0 HH11 ARG A 353 55.237 14.527 14.658 1.00 0.00 H new ATOM 0 HH12 ARG A 353 54.541 15.515 15.947 1.00 0.00 H new ATOM 0 HH21 ARG A 353 51.306 15.398 14.627 1.00 0.00 H new ATOM 0 HH22 ARG A 353 52.335 16.004 15.930 1.00 0.00 H new ATOM 711 N ASN A 354 54.384 10.609 10.377 1.00 0.00 N ATOM 712 CA ASN A 354 55.481 10.846 9.447 1.00 0.00 C ATOM 713 C ASN A 354 55.320 9.988 8.197 1.00 0.00 C ATOM 714 O ASN A 354 55.589 10.438 7.083 1.00 0.00 O ATOM 715 CB ASN A 354 56.814 10.527 10.124 1.00 0.00 C ATOM 716 CG ASN A 354 57.132 11.588 11.173 1.00 0.00 C ATOM 717 OD1 ASN A 354 56.609 12.702 11.108 1.00 0.00 O ATOM 718 ND2 ASN A 354 57.956 11.306 12.144 1.00 0.00 N ATOM 0 H ASN A 354 54.663 10.209 11.273 1.00 0.00 H new ATOM 0 HA ASN A 354 55.466 11.896 9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 354 56.768 9.543 10.592 1.00 0.00 H new ATOM 0 HB3 ASN A 354 57.610 10.489 9.380 1.00 0.00 H new ATOM 0 HD21 ASN A 354 58.169 12.008 12.852 1.00 0.00 H new ATOM 0 HD22 ASN A 354 58.387 10.383 12.195 1.00 0.00 H new ATOM 725 N ALA A 355 54.886 8.746 8.389 1.00 0.00 N ATOM 726 CA ALA A 355 54.698 7.829 7.271 1.00 0.00 C ATOM 727 C ALA A 355 53.651 8.365 6.301 1.00 0.00 C ATOM 728 O ALA A 355 53.822 8.288 5.085 1.00 0.00 O ATOM 729 CB ALA A 355 54.259 6.462 7.792 1.00 0.00 C ATOM 0 H ALA A 355 54.659 8.354 9.303 1.00 0.00 H new ATOM 0 HA ALA A 355 55.646 7.733 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 355 54.120 5.780 6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 355 55.023 6.064 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 355 53.320 6.564 8.336 1.00 0.00 H new ATOM 735 N MET A 356 52.569 8.910 6.845 1.00 0.00 N ATOM 736 CA MET A 356 51.506 9.457 6.011 1.00 0.00 C ATOM 737 C MET A 356 52.019 10.649 5.211 1.00 0.00 C ATOM 738 O MET A 356 51.665 10.824 4.045 1.00 0.00 O ATOM 739 CB MET A 356 50.332 9.895 6.892 1.00 0.00 C ATOM 740 CG MET A 356 49.654 8.669 7.522 1.00 0.00 C ATOM 741 SD MET A 356 48.873 7.653 6.239 1.00 0.00 S ATOM 742 CE MET A 356 50.017 6.248 6.308 1.00 0.00 C ATOM 0 H MET A 356 52.405 8.985 7.849 1.00 0.00 H new ATOM 0 HA MET A 356 51.172 8.685 5.317 1.00 0.00 H new ATOM 0 HB2 MET A 356 50.686 10.566 7.675 1.00 0.00 H new ATOM 0 HB3 MET A 356 49.610 10.453 6.296 1.00 0.00 H new ATOM 0 HG2 MET A 356 50.390 8.077 8.066 1.00 0.00 H new ATOM 0 HG3 MET A 356 48.906 8.991 8.246 1.00 0.00 H new ATOM 0 HE1 MET A 356 49.920 5.655 5.399 1.00 0.00 H new ATOM 0 HE2 MET A 356 51.040 6.615 6.394 1.00 0.00 H new ATOM 0 HE3 MET A 356 49.780 5.628 7.173 1.00 0.00 H new ATOM 752 N GLY A 357 52.854 11.469 5.844 1.00 0.00 N ATOM 753 CA GLY A 357 53.405 12.641 5.174 1.00 0.00 C ATOM 754 C GLY A 357 54.250 12.235 3.971 1.00 0.00 C ATOM 755 O GLY A 357 54.143 12.826 2.897 1.00 0.00 O ATOM 0 H GLY A 357 53.161 11.345 6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 357 52.595 13.294 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 357 54.014 13.212 5.875 1.00 0.00 H new ATOM 759 N SER A 358 55.085 11.218 4.160 1.00 0.00 N ATOM 760 CA SER A 358 55.941 10.732 3.083 1.00 0.00 C ATOM 761 C SER A 358 55.106 10.114 1.971 1.00 0.00 C ATOM 762 O SER A 358 55.400 10.290 0.791 1.00 0.00 O ATOM 763 CB SER A 358 56.926 9.693 3.623 1.00 0.00 C ATOM 764 OG SER A 358 57.814 10.318 4.539 1.00 0.00 O ATOM 0 H SER A 358 55.187 10.717 5.043 1.00 0.00 H new ATOM 0 HA SER A 358 56.495 11.579 2.677 1.00 0.00 H new ATOM 0 HB2 SER A 358 56.386 8.885 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 358 57.487 9.246 2.802 1.00 0.00 H new ATOM 0 HG SER A 358 58.445 9.654 4.888 1.00 0.00 H new ATOM 770 N LEU A 359 54.066 9.385 2.354 1.00 0.00 N ATOM 771 CA LEU A 359 53.210 8.736 1.370 1.00 0.00 C ATOM 772 C LEU A 359 52.608 9.776 0.436 1.00 0.00 C ATOM 773 O LEU A 359 52.588 9.594 -0.781 1.00 0.00 O ATOM 774 CB LEU A 359 52.089 7.963 2.081 1.00 0.00 C ATOM 775 CG LEU A 359 51.184 7.267 1.052 1.00 0.00 C ATOM 776 CD1 LEU A 359 52.002 6.260 0.240 1.00 0.00 C ATOM 777 CD2 LEU A 359 50.056 6.532 1.782 1.00 0.00 C ATOM 0 H LEU A 359 53.797 9.229 3.326 1.00 0.00 H new ATOM 0 HA LEU A 359 53.810 8.038 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 359 52.520 7.223 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 359 51.498 8.646 2.692 1.00 0.00 H new ATOM 0 HG LEU A 359 50.762 8.014 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 359 51.356 5.769 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 359 52.806 6.780 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 359 52.427 5.513 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 359 49.413 6.038 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 359 50.482 5.787 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 359 49.469 7.247 2.358 1.00 0.00 H new ATOM 789 N ALA A 360 52.120 10.864 1.013 1.00 0.00 N ATOM 790 CA ALA A 360 51.523 11.928 0.221 1.00 0.00 C ATOM 791 C ALA A 360 52.586 12.927 -0.220 1.00 0.00 C ATOM 792 O ALA A 360 52.322 13.805 -1.042 1.00 0.00 O ATOM 793 CB ALA A 360 50.449 12.647 1.038 1.00 0.00 C ATOM 0 H ALA A 360 52.125 11.033 2.019 1.00 0.00 H new ATOM 0 HA ALA A 360 51.068 11.485 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 360 50.007 13.442 0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 360 49.674 11.936 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 360 50.899 13.076 1.933 1.00 0.00 H new ATOM 1099 N LYS B 25 36.856 -5.488 -2.502 1.00 0.00 N ATOM 1100 CA LYS B 25 38.225 -5.077 -2.788 1.00 0.00 C ATOM 1101 C LYS B 25 38.902 -4.549 -1.527 1.00 0.00 C ATOM 1102 O LYS B 25 40.077 -4.821 -1.284 1.00 0.00 O ATOM 1103 CB LYS B 25 38.229 -3.992 -3.865 1.00 0.00 C ATOM 1104 CG LYS B 25 37.889 -4.614 -5.221 1.00 0.00 C ATOM 1105 CD LYS B 25 37.777 -3.510 -6.272 1.00 0.00 C ATOM 1106 CE LYS B 25 36.309 -3.121 -6.445 1.00 0.00 C ATOM 1107 NZ LYS B 25 35.626 -4.134 -7.304 1.00 0.00 N ATOM 0 HA LYS B 25 38.778 -5.946 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS B 25 37.504 -3.217 -3.617 1.00 0.00 H new ATOM 0 HB3 LYS B 25 39.207 -3.512 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS B 25 38.660 -5.329 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS B 25 36.951 -5.166 -5.156 1.00 0.00 H new ATOM 0 HD2 LYS B 25 38.361 -2.642 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS B 25 38.188 -3.853 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS B 25 35.820 -3.063 -5.473 1.00 0.00 H new ATOM 0 HE3 LYS B 25 36.234 -2.133 -6.899 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 34.608 -4.138 -7.093 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 35.772 -3.895 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 36.023 -5.076 -7.112 1.00 0.00 H new ATOM 1121 N ARG B 26 38.156 -3.796 -0.725 1.00 0.00 N ATOM 1122 CA ARG B 26 38.705 -3.243 0.507 1.00 0.00 C ATOM 1123 C ARG B 26 39.119 -4.357 1.460 1.00 0.00 C ATOM 1124 O ARG B 26 40.178 -4.295 2.084 1.00 0.00 O ATOM 1125 CB ARG B 26 37.661 -2.357 1.185 1.00 0.00 C ATOM 1126 CG ARG B 26 37.469 -1.078 0.371 1.00 0.00 C ATOM 1127 CD ARG B 26 36.387 -0.223 1.027 1.00 0.00 C ATOM 1128 NE ARG B 26 36.184 1.007 0.267 1.00 0.00 N ATOM 1129 CZ ARG B 26 36.967 2.068 0.451 1.00 0.00 C ATOM 1130 NH1 ARG B 26 37.933 2.023 1.327 1.00 0.00 N ATOM 1131 NH2 ARG B 26 36.771 3.154 -0.247 1.00 0.00 N ATOM 0 H ARG B 26 37.181 -3.557 -0.903 1.00 0.00 H new ATOM 0 HA ARG B 26 39.585 -2.650 0.257 1.00 0.00 H new ATOM 0 HB2 ARG B 26 36.715 -2.892 1.270 1.00 0.00 H new ATOM 0 HB3 ARG B 26 37.980 -2.111 2.198 1.00 0.00 H new ATOM 0 HG2 ARG B 26 38.405 -0.523 0.318 1.00 0.00 H new ATOM 0 HG3 ARG B 26 37.185 -1.323 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG B 26 35.454 -0.784 1.081 1.00 0.00 H new ATOM 0 HD3 ARG B 26 36.674 0.017 2.051 1.00 0.00 H new ATOM 0 HE ARG B 26 35.429 1.054 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG B 26 38.089 1.175 1.871 1.00 0.00 H new ATOM 0 HH12 ARG B 26 38.532 2.836 1.467 1.00 0.00 H new ATOM 0 HH21 ARG B 26 36.018 3.190 -0.934 1.00 0.00 H new ATOM 0 HH22 ARG B 26 37.371 3.966 -0.105 1.00 0.00 H new ATOM 1145 N ALA B 27 38.278 -5.380 1.567 1.00 0.00 N ATOM 1146 CA ALA B 27 38.579 -6.504 2.446 1.00 0.00 C ATOM 1147 C ALA B 27 39.853 -7.210 1.996 1.00 0.00 C ATOM 1148 O ALA B 27 40.694 -7.577 2.815 1.00 0.00 O ATOM 1149 CB ALA B 27 37.417 -7.498 2.445 1.00 0.00 C ATOM 0 H ALA B 27 37.394 -5.455 1.064 1.00 0.00 H new ATOM 0 HA ALA B 27 38.726 -6.119 3.455 1.00 0.00 H new ATOM 0 HB1 ALA B 27 37.652 -8.333 3.105 1.00 0.00 H new ATOM 0 HB2 ALA B 27 36.513 -7.001 2.797 1.00 0.00 H new ATOM 0 HB3 ALA B 27 37.256 -7.869 1.433 1.00 0.00 H new ATOM 1155 N ALA B 28 39.989 -7.395 0.685 1.00 0.00 N ATOM 1156 CA ALA B 28 41.166 -8.059 0.138 1.00 0.00 C ATOM 1157 C ALA B 28 42.427 -7.264 0.461 1.00 0.00 C ATOM 1158 O ALA B 28 43.460 -7.835 0.812 1.00 0.00 O ATOM 1159 CB ALA B 28 41.026 -8.201 -1.380 1.00 0.00 C ATOM 0 H ALA B 28 39.305 -7.097 -0.011 1.00 0.00 H new ATOM 0 HA ALA B 28 41.247 -9.047 0.590 1.00 0.00 H new ATOM 0 HB1 ALA B 28 41.909 -8.698 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA B 28 40.140 -8.793 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA B 28 40.929 -7.213 -1.830 1.00 0.00 H new ATOM 1165 N ALA B 29 42.332 -5.944 0.340 1.00 0.00 N ATOM 1166 CA ALA B 29 43.472 -5.081 0.622 1.00 0.00 C ATOM 1167 C ALA B 29 43.894 -5.212 2.083 1.00 0.00 C ATOM 1168 O ALA B 29 45.084 -5.265 2.393 1.00 0.00 O ATOM 1169 CB ALA B 29 43.114 -3.622 0.318 1.00 0.00 C ATOM 0 H ALA B 29 41.486 -5.453 0.051 1.00 0.00 H new ATOM 0 HA ALA B 29 44.303 -5.389 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA B 29 43.972 -2.985 0.532 1.00 0.00 H new ATOM 0 HB2 ALA B 29 42.843 -3.525 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA B 29 42.272 -3.317 0.939 1.00 0.00 H new ATOM 1175 N LYS B 30 42.909 -5.264 2.974 1.00 0.00 N ATOM 1176 CA LYS B 30 43.186 -5.391 4.401 1.00 0.00 C ATOM 1177 C LYS B 30 43.883 -6.713 4.700 1.00 0.00 C ATOM 1178 O LYS B 30 44.828 -6.762 5.486 1.00 0.00 O ATOM 1179 CB LYS B 30 41.883 -5.302 5.200 1.00 0.00 C ATOM 1180 CG LYS B 30 42.190 -5.388 6.699 1.00 0.00 C ATOM 1181 CD LYS B 30 40.897 -5.215 7.496 1.00 0.00 C ATOM 1182 CE LYS B 30 41.208 -5.287 8.992 1.00 0.00 C ATOM 1183 NZ LYS B 30 41.694 -6.654 9.333 1.00 0.00 N ATOM 0 H LYS B 30 41.918 -5.221 2.736 1.00 0.00 H new ATOM 0 HA LYS B 30 43.846 -4.575 4.695 1.00 0.00 H new ATOM 0 HB2 LYS B 30 41.371 -4.366 4.977 1.00 0.00 H new ATOM 0 HB3 LYS B 30 41.211 -6.110 4.910 1.00 0.00 H new ATOM 0 HG2 LYS B 30 42.648 -6.349 6.933 1.00 0.00 H new ATOM 0 HG3 LYS B 30 42.908 -4.617 6.979 1.00 0.00 H new ATOM 0 HD2 LYS B 30 40.434 -4.258 7.255 1.00 0.00 H new ATOM 0 HD3 LYS B 30 40.183 -5.992 7.224 1.00 0.00 H new ATOM 0 HE2 LYS B 30 41.963 -4.545 9.254 1.00 0.00 H new ATOM 0 HE3 LYS B 30 40.315 -5.052 9.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 41.600 -6.810 10.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 41.128 -7.361 8.821 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 42.693 -6.746 9.059 1.00 0.00 H new ATOM 1197 N HIS B 31 43.401 -7.785 4.080 1.00 0.00 N ATOM 1198 CA HIS B 31 43.980 -9.103 4.304 1.00 0.00 C ATOM 1199 C HIS B 31 45.440 -9.133 3.871 1.00 0.00 C ATOM 1200 O HIS B 31 46.286 -9.711 4.553 1.00 0.00 O ATOM 1201 CB HIS B 31 43.193 -10.157 3.519 1.00 0.00 C ATOM 1202 CG HIS B 31 41.895 -10.450 4.223 1.00 0.00 C ATOM 1203 ND1 HIS B 31 41.849 -11.135 5.428 1.00 0.00 N ATOM 1204 CD2 HIS B 31 40.592 -10.164 3.906 1.00 0.00 C ATOM 1205 CE1 HIS B 31 40.556 -11.236 5.786 1.00 0.00 C ATOM 1206 NE2 HIS B 31 39.747 -10.660 4.893 1.00 0.00 N ATOM 0 H HIS B 31 42.619 -7.768 3.425 1.00 0.00 H new ATOM 0 HA HIS B 31 43.927 -9.324 5.370 1.00 0.00 H new ATOM 0 HB2 HIS B 31 42.997 -9.800 2.508 1.00 0.00 H new ATOM 0 HB3 HIS B 31 43.782 -11.070 3.426 1.00 0.00 H new ATOM 0 HD2 HIS B 31 40.270 -9.633 3.022 1.00 0.00 H new ATOM 0 HE1 HIS B 31 40.214 -11.724 6.687 1.00 0.00 H new ATOM 0 HE2 HIS B 31 38.730 -10.597 4.927 1.00 0.00 H new ATOM 1215 N LEU B 32 45.736 -8.510 2.737 1.00 0.00 N ATOM 1216 CA LEU B 32 47.101 -8.481 2.236 1.00 0.00 C ATOM 1217 C LEU B 32 48.011 -7.741 3.208 1.00 0.00 C ATOM 1218 O LEU B 32 49.100 -8.209 3.531 1.00 0.00 O ATOM 1219 CB LEU B 32 47.133 -7.781 0.876 1.00 0.00 C ATOM 1220 CG LEU B 32 46.443 -8.659 -0.176 1.00 0.00 C ATOM 1221 CD1 LEU B 32 46.306 -7.878 -1.484 1.00 0.00 C ATOM 1222 CD2 LEU B 32 47.258 -9.936 -0.426 1.00 0.00 C ATOM 0 H LEU B 32 45.056 -8.023 2.153 1.00 0.00 H new ATOM 0 HA LEU B 32 47.457 -9.506 2.132 1.00 0.00 H new ATOM 0 HB2 LEU B 32 46.632 -6.815 0.942 1.00 0.00 H new ATOM 0 HB3 LEU B 32 48.164 -7.586 0.581 1.00 0.00 H new ATOM 0 HG LEU B 32 45.456 -8.937 0.192 1.00 0.00 H new ATOM 0 HD11 LEU B 32 45.816 -8.502 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU B 32 45.710 -6.982 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU B 32 47.295 -7.592 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU B 32 46.755 -10.548 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU B 32 48.252 -9.669 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU B 32 47.346 -10.499 0.503 1.00 0.00 H new ATOM 1234 N ILE B 33 47.545 -6.595 3.690 1.00 0.00 N ATOM 1235 CA ILE B 33 48.325 -5.811 4.637 1.00 0.00 C ATOM 1236 C ILE B 33 48.549 -6.596 5.921 1.00 0.00 C ATOM 1237 O ILE B 33 49.654 -6.614 6.465 1.00 0.00 O ATOM 1238 CB ILE B 33 47.615 -4.493 4.948 1.00 0.00 C ATOM 1239 CG1 ILE B 33 47.660 -3.590 3.709 1.00 0.00 C ATOM 1240 CG2 ILE B 33 48.311 -3.800 6.122 1.00 0.00 C ATOM 1241 CD1 ILE B 33 46.724 -2.396 3.905 1.00 0.00 C ATOM 0 H ILE B 33 46.641 -6.192 3.444 1.00 0.00 H new ATOM 0 HA ILE B 33 49.293 -5.593 4.186 1.00 0.00 H new ATOM 0 HB ILE B 33 46.577 -4.690 5.215 1.00 0.00 H new ATOM 0 HG12 ILE B 33 48.679 -3.241 3.538 1.00 0.00 H new ATOM 0 HG13 ILE B 33 47.364 -4.155 2.825 1.00 0.00 H new ATOM 0 HG21 ILE B 33 47.804 -2.861 6.343 1.00 0.00 H new ATOM 0 HG22 ILE B 33 48.275 -4.446 6.999 1.00 0.00 H new ATOM 0 HG23 ILE B 33 49.350 -3.599 5.862 1.00 0.00 H new ATOM 0 HD11 ILE B 33 46.759 -1.757 3.022 1.00 0.00 H new ATOM 0 HD12 ILE B 33 45.705 -2.753 4.054 1.00 0.00 H new ATOM 0 HD13 ILE B 33 47.040 -1.826 4.778 1.00 0.00 H new ATOM 1253 N GLU B 34 47.494 -7.237 6.404 1.00 0.00 N ATOM 1254 CA GLU B 34 47.586 -8.018 7.629 1.00 0.00 C ATOM 1255 C GLU B 34 48.579 -9.161 7.451 1.00 0.00 C ATOM 1256 O GLU B 34 49.365 -9.455 8.350 1.00 0.00 O ATOM 1257 CB GLU B 34 46.209 -8.583 7.994 1.00 0.00 C ATOM 1258 CG GLU B 34 46.362 -9.941 8.693 1.00 0.00 C ATOM 1259 CD GLU B 34 45.119 -10.234 9.522 1.00 0.00 C ATOM 1260 OE1 GLU B 34 44.470 -9.285 9.929 1.00 0.00 O ATOM 1261 OE2 GLU B 34 44.828 -11.400 9.734 1.00 0.00 O ATOM 0 H GLU B 34 46.571 -7.232 5.970 1.00 0.00 H new ATOM 0 HA GLU B 34 47.932 -7.368 8.433 1.00 0.00 H new ATOM 0 HB2 GLU B 34 45.684 -7.887 8.647 1.00 0.00 H new ATOM 0 HB3 GLU B 34 45.604 -8.695 7.095 1.00 0.00 H new ATOM 0 HG2 GLU B 34 46.511 -10.727 7.953 1.00 0.00 H new ATOM 0 HG3 GLU B 34 47.244 -9.934 9.333 1.00 0.00 H new ATOM 1268 N ARG B 35 48.528 -9.810 6.291 1.00 0.00 N ATOM 1269 CA ARG B 35 49.423 -10.930 6.020 1.00 0.00 C ATOM 1270 C ARG B 35 50.878 -10.474 6.036 1.00 0.00 C ATOM 1271 O ARG B 35 51.742 -11.156 6.586 1.00 0.00 O ATOM 1272 CB ARG B 35 49.094 -11.529 4.652 1.00 0.00 C ATOM 1273 CG ARG B 35 47.751 -12.265 4.712 1.00 0.00 C ATOM 1274 CD ARG B 35 47.962 -13.712 5.162 1.00 0.00 C ATOM 1275 NE ARG B 35 48.768 -14.425 4.179 1.00 0.00 N ATOM 1276 CZ ARG B 35 48.221 -14.916 3.071 1.00 0.00 C ATOM 1277 NH1 ARG B 35 46.942 -14.762 2.852 1.00 0.00 N ATOM 1278 NH2 ARG B 35 48.960 -15.549 2.203 1.00 0.00 N ATOM 0 H ARG B 35 47.885 -9.583 5.532 1.00 0.00 H new ATOM 0 HA ARG B 35 49.283 -11.681 6.797 1.00 0.00 H new ATOM 0 HB2 ARG B 35 49.053 -10.740 3.901 1.00 0.00 H new ATOM 0 HB3 ARG B 35 49.882 -12.218 4.348 1.00 0.00 H new ATOM 0 HG2 ARG B 35 47.079 -11.756 5.403 1.00 0.00 H new ATOM 0 HG3 ARG B 35 47.274 -12.247 3.732 1.00 0.00 H new ATOM 0 HD2 ARG B 35 48.456 -13.731 6.133 1.00 0.00 H new ATOM 0 HD3 ARG B 35 46.999 -14.208 5.284 1.00 0.00 H new ATOM 0 HE ARG B 35 49.767 -14.549 4.344 1.00 0.00 H new ATOM 0 HH11 ARG B 35 46.365 -14.266 3.531 1.00 0.00 H new ATOM 0 HH12 ARG B 35 46.521 -15.138 2.002 1.00 0.00 H new ATOM 0 HH21 ARG B 35 49.959 -15.668 2.374 1.00 0.00 H new ATOM 0 HH22 ARG B 35 48.540 -15.925 1.353 1.00 0.00 H new ATOM 1292 N TYR B 36 51.140 -9.318 5.439 1.00 0.00 N ATOM 1293 CA TYR B 36 52.497 -8.789 5.400 1.00 0.00 C ATOM 1294 C TYR B 36 52.974 -8.438 6.806 1.00 0.00 C ATOM 1295 O TYR B 36 54.118 -8.707 7.170 1.00 0.00 O ATOM 1296 CB TYR B 36 52.550 -7.541 4.515 1.00 0.00 C ATOM 1297 CG TYR B 36 52.440 -7.944 3.062 1.00 0.00 C ATOM 1298 CD1 TYR B 36 51.496 -7.326 2.233 1.00 0.00 C ATOM 1299 CD2 TYR B 36 53.279 -8.938 2.546 1.00 0.00 C ATOM 1300 CE1 TYR B 36 51.389 -7.702 0.890 1.00 0.00 C ATOM 1301 CE2 TYR B 36 53.173 -9.312 1.201 1.00 0.00 C ATOM 1302 CZ TYR B 36 52.229 -8.697 0.373 1.00 0.00 C ATOM 1303 OH TYR B 36 52.123 -9.070 -0.951 1.00 0.00 O ATOM 0 H TYR B 36 50.440 -8.735 4.980 1.00 0.00 H new ATOM 0 HA TYR B 36 53.152 -9.554 4.985 1.00 0.00 H new ATOM 0 HB2 TYR B 36 51.738 -6.862 4.777 1.00 0.00 H new ATOM 0 HB3 TYR B 36 53.483 -7.003 4.684 1.00 0.00 H new ATOM 0 HD1 TYR B 36 50.850 -6.558 2.631 1.00 0.00 H new ATOM 0 HD2 TYR B 36 54.007 -9.416 3.184 1.00 0.00 H new ATOM 0 HE1 TYR B 36 50.659 -7.226 0.252 1.00 0.00 H new ATOM 0 HE2 TYR B 36 53.822 -10.077 0.802 1.00 0.00 H new ATOM 0 HH TYR B 36 52.916 -9.584 -1.210 1.00 0.00 H new ATOM 1313 N TYR B 37 52.084 -7.839 7.591 1.00 0.00 N ATOM 1314 CA TYR B 37 52.419 -7.456 8.957 1.00 0.00 C ATOM 1315 C TYR B 37 52.778 -8.679 9.791 1.00 0.00 C ATOM 1316 O TYR B 37 53.802 -8.697 10.473 1.00 0.00 O ATOM 1317 CB TYR B 37 51.239 -6.724 9.601 1.00 0.00 C ATOM 1318 CG TYR B 37 51.579 -6.381 11.032 1.00 0.00 C ATOM 1319 CD1 TYR B 37 52.428 -5.303 11.309 1.00 0.00 C ATOM 1320 CD2 TYR B 37 51.046 -7.140 12.080 1.00 0.00 C ATOM 1321 CE1 TYR B 37 52.744 -4.983 12.635 1.00 0.00 C ATOM 1322 CE2 TYR B 37 51.363 -6.820 13.406 1.00 0.00 C ATOM 1323 CZ TYR B 37 52.211 -5.742 13.684 1.00 0.00 C ATOM 1324 OH TYR B 37 52.523 -5.427 14.991 1.00 0.00 O ATOM 0 H TYR B 37 51.132 -7.610 7.307 1.00 0.00 H new ATOM 0 HA TYR B 37 53.283 -6.793 8.922 1.00 0.00 H new ATOM 0 HB2 TYR B 37 51.012 -5.816 9.042 1.00 0.00 H new ATOM 0 HB3 TYR B 37 50.347 -7.350 9.568 1.00 0.00 H new ATOM 0 HD1 TYR B 37 52.839 -4.718 10.500 1.00 0.00 H new ATOM 0 HD2 TYR B 37 50.391 -7.972 11.866 1.00 0.00 H new ATOM 0 HE1 TYR B 37 53.399 -4.151 12.849 1.00 0.00 H new ATOM 0 HE2 TYR B 37 50.953 -7.406 14.215 1.00 0.00 H new ATOM 0 HH TYR B 37 53.418 -5.764 15.204 1.00 0.00 H new ATOM 1334 N HIS B 38 51.927 -9.700 9.730 1.00 0.00 N ATOM 1335 CA HIS B 38 52.167 -10.923 10.485 1.00 0.00 C ATOM 1336 C HIS B 38 53.439 -11.610 10.012 1.00 0.00 C ATOM 1337 O HIS B 38 54.233 -12.091 10.819 1.00 0.00 O ATOM 1338 CB HIS B 38 50.981 -11.878 10.323 1.00 0.00 C ATOM 1339 CG HIS B 38 49.847 -11.426 11.201 1.00 0.00 C ATOM 1340 ND1 HIS B 38 48.575 -11.970 11.104 1.00 0.00 N ATOM 1341 CD2 HIS B 38 49.781 -10.497 12.210 1.00 0.00 C ATOM 1342 CE1 HIS B 38 47.805 -11.368 12.031 1.00 0.00 C ATOM 1343 NE2 HIS B 38 48.492 -10.463 12.733 1.00 0.00 N ATOM 0 H HIS B 38 51.074 -9.704 9.171 1.00 0.00 H new ATOM 0 HA HIS B 38 52.283 -10.658 11.536 1.00 0.00 H new ATOM 0 HB2 HIS B 38 50.660 -11.903 9.281 1.00 0.00 H new ATOM 0 HB3 HIS B 38 51.279 -12.892 10.589 1.00 0.00 H new ATOM 0 HD2 HIS B 38 50.605 -9.885 12.547 1.00 0.00 H new ATOM 0 HE1 HIS B 38 46.760 -11.590 12.187 1.00 0.00 H new ATOM 0 HE2 HIS B 38 48.146 -9.873 13.490 1.00 0.00 H new ATOM 1352 N GLN B 39 53.633 -11.648 8.699 1.00 0.00 N ATOM 1353 CA GLN B 39 54.820 -12.278 8.141 1.00 0.00 C ATOM 1354 C GLN B 39 56.086 -11.516 8.509 1.00 0.00 C ATOM 1355 O GLN B 39 57.118 -12.115 8.813 1.00 0.00 O ATOM 1356 CB GLN B 39 54.716 -12.329 6.614 1.00 0.00 C ATOM 1357 CG GLN B 39 55.733 -13.331 6.056 1.00 0.00 C ATOM 1358 CD GLN B 39 55.621 -13.395 4.538 1.00 0.00 C ATOM 1359 OE1 GLN B 39 55.801 -12.385 3.858 1.00 0.00 O ATOM 1360 NE2 GLN B 39 55.328 -14.531 3.964 1.00 0.00 N ATOM 0 H GLN B 39 52.992 -11.255 8.010 1.00 0.00 H new ATOM 0 HA GLN B 39 54.878 -13.284 8.557 1.00 0.00 H new ATOM 0 HB2 GLN B 39 53.707 -12.618 6.319 1.00 0.00 H new ATOM 0 HB3 GLN B 39 54.899 -11.340 6.195 1.00 0.00 H new ATOM 0 HG2 GLN B 39 56.742 -13.035 6.342 1.00 0.00 H new ATOM 0 HG3 GLN B 39 55.556 -14.318 6.484 1.00 0.00 H new ATOM 0 HE21 GLN B 39 55.180 -15.366 4.531 1.00 0.00 H new ATOM 0 HE22 GLN B 39 55.248 -14.584 2.949 1.00 0.00 H new ATOM 1369 N LEU B 40 55.997 -10.191 8.501 1.00 0.00 N ATOM 1370 CA LEU B 40 57.141 -9.362 8.858 1.00 0.00 C ATOM 1371 C LEU B 40 57.488 -9.536 10.333 1.00 0.00 C ATOM 1372 O LEU B 40 58.656 -9.668 10.695 1.00 0.00 O ATOM 1373 CB LEU B 40 56.825 -7.890 8.570 1.00 0.00 C ATOM 1374 CG LEU B 40 58.046 -7.017 8.891 1.00 0.00 C ATOM 1375 CD1 LEU B 40 59.220 -7.417 7.993 1.00 0.00 C ATOM 1376 CD2 LEU B 40 57.698 -5.547 8.645 1.00 0.00 C ATOM 0 H LEU B 40 55.154 -9.672 8.254 1.00 0.00 H new ATOM 0 HA LEU B 40 57.997 -9.673 8.259 1.00 0.00 H new ATOM 0 HB2 LEU B 40 56.546 -7.768 7.524 1.00 0.00 H new ATOM 0 HB3 LEU B 40 55.972 -7.569 9.167 1.00 0.00 H new ATOM 0 HG LEU B 40 58.326 -7.159 9.935 1.00 0.00 H new ATOM 0 HD11 LEU B 40 60.084 -6.794 8.225 1.00 0.00 H new ATOM 0 HD12 LEU B 40 59.470 -8.464 8.166 1.00 0.00 H new ATOM 0 HD13 LEU B 40 58.943 -7.278 6.948 1.00 0.00 H new ATOM 0 HD21 LEU B 40 58.564 -4.925 8.872 1.00 0.00 H new ATOM 0 HD22 LEU B 40 57.417 -5.410 7.601 1.00 0.00 H new ATOM 0 HD23 LEU B 40 56.865 -5.258 9.286 1.00 0.00 H new ATOM 1388 N THR B 41 56.464 -9.521 11.179 1.00 0.00 N ATOM 1389 CA THR B 41 56.672 -9.665 12.615 1.00 0.00 C ATOM 1390 C THR B 41 57.058 -11.095 12.970 1.00 0.00 C ATOM 1391 O THR B 41 57.736 -11.333 13.970 1.00 0.00 O ATOM 1392 CB THR B 41 55.402 -9.266 13.370 1.00 0.00 C ATOM 1393 OG1 THR B 41 54.321 -10.083 12.940 1.00 0.00 O ATOM 1394 CG2 THR B 41 55.081 -7.795 13.093 1.00 0.00 C ATOM 0 H THR B 41 55.489 -9.412 10.899 1.00 0.00 H new ATOM 0 HA THR B 41 57.489 -9.006 12.909 1.00 0.00 H new ATOM 0 HB THR B 41 55.556 -9.403 14.440 1.00 0.00 H new ATOM 0 HG1 THR B 41 53.968 -9.739 12.093 1.00 0.00 H new ATOM 0 HG21 THR B 41 54.176 -7.512 13.631 1.00 0.00 H new ATOM 0 HG22 THR B 41 55.911 -7.172 13.427 1.00 0.00 H new ATOM 0 HG23 THR B 41 54.927 -7.651 12.024 1.00 0.00 H new ATOM 1402 N GLU B 42 56.618 -12.045 12.150 1.00 0.00 N ATOM 1403 CA GLU B 42 56.918 -13.450 12.395 1.00 0.00 C ATOM 1404 C GLU B 42 57.967 -13.963 11.411 1.00 0.00 C ATOM 1405 O GLU B 42 59.138 -14.110 11.762 1.00 0.00 O ATOM 1406 CB GLU B 42 55.643 -14.282 12.254 1.00 0.00 C ATOM 1407 CG GLU B 42 54.595 -13.781 13.249 1.00 0.00 C ATOM 1408 CD GLU B 42 55.055 -14.061 14.675 1.00 0.00 C ATOM 1409 OE1 GLU B 42 55.922 -14.901 14.842 1.00 0.00 O ATOM 1410 OE2 GLU B 42 54.531 -13.430 15.579 1.00 0.00 O ATOM 0 H GLU B 42 56.057 -11.869 11.317 1.00 0.00 H new ATOM 0 HA GLU B 42 57.313 -13.544 13.407 1.00 0.00 H new ATOM 0 HB2 GLU B 42 55.259 -14.208 11.237 1.00 0.00 H new ATOM 0 HB3 GLU B 42 55.860 -15.334 12.437 1.00 0.00 H new ATOM 0 HG2 GLU B 42 54.435 -12.711 13.113 1.00 0.00 H new ATOM 0 HG3 GLU B 42 53.640 -14.273 13.063 1.00 0.00 H new ATOM 1417 N GLY B 43 57.537 -14.234 10.181 1.00 0.00 N ATOM 1418 CA GLY B 43 58.471 -14.624 9.124 1.00 0.00 C ATOM 1419 C GLY B 43 57.921 -15.882 8.468 1.00 0.00 C ATOM 1420 O GLY B 43 56.708 -16.083 8.404 1.00 0.00 O ATOM 0 H GLY B 43 56.560 -14.192 9.892 1.00 0.00 H new ATOM 0 HA2 GLY B 43 58.576 -13.824 8.391 1.00 0.00 H new ATOM 0 HA3 GLY B 43 59.462 -14.809 9.538 1.00 0.00 H new ATOM 1424 N CYS B 44 58.824 -16.724 7.983 1.00 0.00 N ATOM 1425 CA CYS B 44 58.421 -17.967 7.333 1.00 0.00 C ATOM 1426 C CYS B 44 58.545 -19.144 8.293 1.00 0.00 C ATOM 1427 O CYS B 44 58.096 -20.251 7.994 1.00 0.00 O ATOM 1428 CB CYS B 44 59.284 -18.213 6.094 1.00 0.00 C ATOM 1429 SG CYS B 44 61.016 -17.826 6.466 1.00 0.00 S ATOM 0 H CYS B 44 59.832 -16.573 8.026 1.00 0.00 H new ATOM 0 HA CYS B 44 57.377 -17.875 7.032 1.00 0.00 H new ATOM 0 HB2 CYS B 44 59.194 -19.252 5.777 1.00 0.00 H new ATOM 0 HB3 CYS B 44 58.933 -17.596 5.267 1.00 0.00 H new ATOM 0 HG CYS B 44 61.547 -17.199 5.458 1.00 0.00 H new ATOM 1434 N GLY B 45 59.151 -18.897 9.448 1.00 0.00 N ATOM 1435 CA GLY B 45 59.320 -19.944 10.449 1.00 0.00 C ATOM 1436 C GLY B 45 60.662 -20.648 10.279 1.00 0.00 C ATOM 1437 O GLY B 45 61.142 -21.321 11.191 1.00 0.00 O ATOM 0 H GLY B 45 59.531 -17.989 9.714 1.00 0.00 H new ATOM 0 HA2 GLY B 45 59.255 -19.512 11.448 1.00 0.00 H new ATOM 0 HA3 GLY B 45 58.511 -20.669 10.363 1.00 0.00 H new ATOM 1441 N ASN B 46 61.262 -20.486 9.103 1.00 0.00 N ATOM 1442 CA ASN B 46 62.548 -21.108 8.817 1.00 0.00 C ATOM 1443 C ASN B 46 63.648 -20.454 9.641 1.00 0.00 C ATOM 1444 O ASN B 46 63.591 -19.261 9.938 1.00 0.00 O ATOM 1445 CB ASN B 46 62.871 -20.976 7.328 1.00 0.00 C ATOM 1446 CG ASN B 46 61.942 -21.866 6.509 1.00 0.00 C ATOM 1447 OD1 ASN B 46 61.383 -22.830 7.034 1.00 0.00 O ATOM 1448 ND2 ASN B 46 61.741 -21.598 5.249 1.00 0.00 N ATOM 0 H ASN B 46 60.879 -19.932 8.337 1.00 0.00 H new ATOM 0 HA ASN B 46 62.491 -22.164 9.081 1.00 0.00 H new ATOM 0 HB2 ASN B 46 62.762 -19.938 7.015 1.00 0.00 H new ATOM 0 HB3 ASN B 46 63.909 -21.256 7.147 1.00 0.00 H new ATOM 0 HD21 ASN B 46 61.119 -22.187 4.695 1.00 0.00 H new ATOM 0 HD22 ASN B 46 62.205 -20.799 4.817 1.00 0.00 H new ATOM 1455 N GLU B 47 64.644 -21.247 10.013 1.00 0.00 N ATOM 1456 CA GLU B 47 65.752 -20.740 10.813 1.00 0.00 C ATOM 1457 C GLU B 47 66.499 -19.650 10.052 1.00 0.00 C ATOM 1458 O GLU B 47 66.903 -18.642 10.629 1.00 0.00 O ATOM 1459 CB GLU B 47 66.718 -21.879 11.153 1.00 0.00 C ATOM 1460 CG GLU B 47 66.054 -22.863 12.126 1.00 0.00 C ATOM 1461 CD GLU B 47 65.118 -23.807 11.373 1.00 0.00 C ATOM 1462 OE1 GLU B 47 65.108 -23.761 10.155 1.00 0.00 O ATOM 1463 OE2 GLU B 47 64.421 -24.565 12.030 1.00 0.00 O ATOM 0 H GLU B 47 64.708 -22.237 9.776 1.00 0.00 H new ATOM 0 HA GLU B 47 65.350 -20.320 11.735 1.00 0.00 H new ATOM 0 HB2 GLU B 47 67.013 -22.400 10.242 1.00 0.00 H new ATOM 0 HB3 GLU B 47 67.627 -21.474 11.597 1.00 0.00 H new ATOM 0 HG2 GLU B 47 66.818 -23.439 12.649 1.00 0.00 H new ATOM 0 HG3 GLU B 47 65.495 -22.314 12.883 1.00 0.00 H new ATOM 1470 N ALA B 48 66.672 -19.858 8.750 1.00 0.00 N ATOM 1471 CA ALA B 48 67.361 -18.883 7.915 1.00 0.00 C ATOM 1472 C ALA B 48 66.564 -18.621 6.642 1.00 0.00 C ATOM 1473 O ALA B 48 66.136 -19.554 5.964 1.00 0.00 O ATOM 1474 CB ALA B 48 68.757 -19.396 7.552 1.00 0.00 C ATOM 0 H ALA B 48 66.346 -20.688 8.254 1.00 0.00 H new ATOM 0 HA ALA B 48 67.455 -17.952 8.473 1.00 0.00 H new ATOM 0 HB1 ALA B 48 69.264 -18.660 6.928 1.00 0.00 H new ATOM 0 HB2 ALA B 48 69.333 -19.558 8.463 1.00 0.00 H new ATOM 0 HB3 ALA B 48 68.669 -20.336 7.007 1.00 0.00 H new ATOM 1480 N CYS B 49 66.367 -17.342 6.328 1.00 0.00 N ATOM 1481 CA CYS B 49 65.618 -16.957 5.137 1.00 0.00 C ATOM 1482 C CYS B 49 66.457 -16.053 4.240 1.00 0.00 C ATOM 1483 O CYS B 49 67.022 -15.060 4.698 1.00 0.00 O ATOM 1484 CB CYS B 49 64.336 -16.229 5.541 1.00 0.00 C ATOM 1485 SG CYS B 49 63.419 -15.759 4.054 1.00 0.00 S ATOM 0 H CYS B 49 66.715 -16.558 6.881 1.00 0.00 H new ATOM 0 HA CYS B 49 65.365 -17.861 4.584 1.00 0.00 H new ATOM 0 HB2 CYS B 49 63.723 -16.872 6.172 1.00 0.00 H new ATOM 0 HB3 CYS B 49 64.577 -15.343 6.128 1.00 0.00 H new ATOM 0 HG CYS B 49 62.251 -15.300 4.392 1.00 0.00 H new ATOM 1490 N THR B 50 66.536 -16.404 2.961 1.00 0.00 N ATOM 1491 CA THR B 50 67.311 -15.616 2.011 1.00 0.00 C ATOM 1492 C THR B 50 66.413 -14.622 1.280 1.00 0.00 C ATOM 1493 O THR B 50 66.351 -14.613 0.051 1.00 0.00 O ATOM 1494 CB THR B 50 67.981 -16.543 0.993 1.00 0.00 C ATOM 1495 OG1 THR B 50 68.822 -17.463 1.674 1.00 0.00 O ATOM 1496 CG2 THR B 50 68.815 -15.713 0.016 1.00 0.00 C ATOM 0 H THR B 50 66.077 -17.222 2.561 1.00 0.00 H new ATOM 0 HA THR B 50 68.073 -15.064 2.560 1.00 0.00 H new ATOM 0 HB THR B 50 67.217 -17.090 0.441 1.00 0.00 H new ATOM 0 HG1 THR B 50 69.250 -18.058 1.024 1.00 0.00 H new ATOM 0 HG21 THR B 50 69.291 -16.374 -0.708 1.00 0.00 H new ATOM 0 HG22 THR B 50 68.168 -15.008 -0.507 1.00 0.00 H new ATOM 0 HG23 THR B 50 69.580 -15.165 0.565 1.00 0.00 H new ATOM 1504 N ASN B 51 65.723 -13.782 2.045 1.00 0.00 N ATOM 1505 CA ASN B 51 64.836 -12.784 1.460 1.00 0.00 C ATOM 1506 C ASN B 51 64.824 -11.520 2.312 1.00 0.00 C ATOM 1507 O ASN B 51 64.579 -11.574 3.518 1.00 0.00 O ATOM 1508 CB ASN B 51 63.417 -13.344 1.342 1.00 0.00 C ATOM 1509 CG ASN B 51 62.563 -12.423 0.479 1.00 0.00 C ATOM 1510 OD1 ASN B 51 63.063 -11.820 -0.469 1.00 0.00 O ATOM 1511 ND2 ASN B 51 61.294 -12.279 0.751 1.00 0.00 N ATOM 0 H ASN B 51 65.761 -13.772 3.064 1.00 0.00 H new ATOM 0 HA ASN B 51 65.204 -12.534 0.465 1.00 0.00 H new ATOM 0 HB2 ASN B 51 63.446 -14.342 0.905 1.00 0.00 H new ATOM 0 HB3 ASN B 51 62.973 -13.443 2.332 1.00 0.00 H new ATOM 0 HD21 ASN B 51 60.716 -11.666 0.177 1.00 0.00 H new ATOM 0 HD22 ASN B 51 60.881 -12.780 1.538 1.00 0.00 H new ATOM 1518 N GLU B 52 65.094 -10.384 1.679 1.00 0.00 N ATOM 1519 CA GLU B 52 65.116 -9.113 2.390 1.00 0.00 C ATOM 1520 C GLU B 52 63.747 -8.807 2.985 1.00 0.00 C ATOM 1521 O GLU B 52 63.645 -8.326 4.113 1.00 0.00 O ATOM 1522 CB GLU B 52 65.526 -7.986 1.437 1.00 0.00 C ATOM 1523 CG GLU B 52 65.604 -6.663 2.204 1.00 0.00 C ATOM 1524 CD GLU B 52 66.113 -5.556 1.286 1.00 0.00 C ATOM 1525 OE1 GLU B 52 66.414 -5.855 0.143 1.00 0.00 O ATOM 1526 OE2 GLU B 52 66.188 -4.427 1.739 1.00 0.00 O ATOM 0 H GLU B 52 65.299 -10.318 0.682 1.00 0.00 H new ATOM 0 HA GLU B 52 65.842 -9.185 3.200 1.00 0.00 H new ATOM 0 HB2 GLU B 52 66.492 -8.213 0.985 1.00 0.00 H new ATOM 0 HB3 GLU B 52 64.805 -7.904 0.624 1.00 0.00 H new ATOM 0 HG2 GLU B 52 64.620 -6.400 2.593 1.00 0.00 H new ATOM 0 HG3 GLU B 52 66.268 -6.769 3.062 1.00 0.00 H new ATOM 1533 N PHE B 53 62.696 -9.077 2.219 1.00 0.00 N ATOM 1534 CA PHE B 53 61.344 -8.812 2.691 1.00 0.00 C ATOM 1535 C PHE B 53 60.784 -10.023 3.433 1.00 0.00 C ATOM 1536 O PHE B 53 59.758 -10.579 3.044 1.00 0.00 O ATOM 1537 CB PHE B 53 60.437 -8.479 1.503 1.00 0.00 C ATOM 1538 CG PHE B 53 61.052 -7.360 0.696 1.00 0.00 C ATOM 1539 CD1 PHE B 53 61.507 -7.601 -0.607 1.00 0.00 C ATOM 1540 CD2 PHE B 53 61.174 -6.082 1.253 1.00 0.00 C ATOM 1541 CE1 PHE B 53 62.083 -6.564 -1.351 1.00 0.00 C ATOM 1542 CE2 PHE B 53 61.749 -5.044 0.509 1.00 0.00 C ATOM 1543 CZ PHE B 53 62.205 -5.286 -0.793 1.00 0.00 C ATOM 0 H PHE B 53 62.753 -9.474 1.281 1.00 0.00 H new ATOM 0 HA PHE B 53 61.378 -7.965 3.377 1.00 0.00 H new ATOM 0 HB2 PHE B 53 60.302 -9.361 0.877 1.00 0.00 H new ATOM 0 HB3 PHE B 53 59.449 -8.185 1.858 1.00 0.00 H new ATOM 0 HD1 PHE B 53 61.413 -8.587 -1.038 1.00 0.00 H new ATOM 0 HD2 PHE B 53 60.824 -5.896 2.258 1.00 0.00 H new ATOM 0 HE1 PHE B 53 62.433 -6.750 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE B 53 61.841 -4.058 0.939 1.00 0.00 H new ATOM 0 HZ PHE B 53 62.651 -4.487 -1.366 1.00 0.00 H new ATOM 1553 N CYS B 54 61.457 -10.419 4.510 1.00 0.00 N ATOM 1554 CA CYS B 54 61.005 -11.555 5.303 1.00 0.00 C ATOM 1555 C CYS B 54 61.821 -11.670 6.584 1.00 0.00 C ATOM 1556 O CYS B 54 63.024 -11.409 6.587 1.00 0.00 O ATOM 1557 CB CYS B 54 61.138 -12.847 4.502 1.00 0.00 C ATOM 1558 SG CYS B 54 60.192 -14.157 5.315 1.00 0.00 S ATOM 0 H CYS B 54 62.309 -9.974 4.850 1.00 0.00 H new ATOM 0 HA CYS B 54 59.958 -11.395 5.559 1.00 0.00 H new ATOM 0 HB2 CYS B 54 60.774 -12.697 3.486 1.00 0.00 H new ATOM 0 HB3 CYS B 54 62.187 -13.134 4.425 1.00 0.00 H new ATOM 0 HG CYS B 54 60.302 -15.259 4.634 1.00 0.00 H new ATOM 1563 N ALA B 55 61.166 -12.072 7.665 1.00 0.00 N ATOM 1564 CA ALA B 55 61.848 -12.232 8.940 1.00 0.00 C ATOM 1565 C ALA B 55 62.772 -13.443 8.889 1.00 0.00 C ATOM 1566 O ALA B 55 62.885 -14.104 7.858 1.00 0.00 O ATOM 1567 CB ALA B 55 60.833 -12.415 10.068 1.00 0.00 C ATOM 0 H ALA B 55 60.170 -12.292 7.684 1.00 0.00 H new ATOM 0 HA ALA B 55 62.436 -11.334 9.132 1.00 0.00 H new ATOM 0 HB1 ALA B 55 61.359 -12.533 11.015 1.00 0.00 H new ATOM 0 HB2 ALA B 55 60.185 -11.540 10.120 1.00 0.00 H new ATOM 0 HB3 ALA B 55 60.230 -13.302 9.875 1.00 0.00 H new ATOM 1573 N SER B 56 63.436 -13.714 10.004 1.00 0.00 N ATOM 1574 CA SER B 56 64.357 -14.840 10.084 1.00 0.00 C ATOM 1575 C SER B 56 65.514 -14.638 9.123 1.00 0.00 C ATOM 1576 O SER B 56 66.304 -15.550 8.891 1.00 0.00 O ATOM 1577 CB SER B 56 63.638 -16.148 9.749 1.00 0.00 C ATOM 1578 OG SER B 56 62.417 -16.206 10.469 1.00 0.00 O ATOM 0 H SER B 56 63.355 -13.171 10.864 1.00 0.00 H new ATOM 0 HA SER B 56 64.739 -14.897 11.103 1.00 0.00 H new ATOM 0 HB2 SER B 56 63.446 -16.207 8.678 1.00 0.00 H new ATOM 0 HB3 SER B 56 64.267 -17.000 10.007 1.00 0.00 H new ATOM 0 HG SER B 56 61.951 -17.042 10.257 1.00 0.00 H new ATOM 1584 N CYS B 57 65.605 -13.440 8.559 1.00 0.00 N ATOM 1585 CA CYS B 57 66.674 -13.135 7.621 1.00 0.00 C ATOM 1586 C CYS B 57 67.727 -12.229 8.287 1.00 0.00 C ATOM 1587 O CYS B 57 67.394 -11.128 8.719 1.00 0.00 O ATOM 1588 CB CYS B 57 66.113 -12.449 6.374 1.00 0.00 C ATOM 1589 SG CYS B 57 67.474 -12.094 5.240 1.00 0.00 S ATOM 0 H CYS B 57 64.957 -12.671 8.733 1.00 0.00 H new ATOM 0 HA CYS B 57 67.147 -14.071 7.324 1.00 0.00 H new ATOM 0 HB2 CYS B 57 65.376 -13.090 5.890 1.00 0.00 H new ATOM 0 HB3 CYS B 57 65.601 -11.527 6.649 1.00 0.00 H new ATOM 0 HG CYS B 57 67.740 -13.154 4.536 1.00 0.00 H new ATOM 1595 N PRO B 58 68.978 -12.651 8.384 1.00 0.00 N ATOM 1596 CA PRO B 58 70.055 -11.823 9.019 1.00 0.00 C ATOM 1597 C PRO B 58 70.066 -10.378 8.510 1.00 0.00 C ATOM 1598 O PRO B 58 70.369 -9.450 9.261 1.00 0.00 O ATOM 1599 CB PRO B 58 71.342 -12.534 8.596 1.00 0.00 C ATOM 1600 CG PRO B 58 70.960 -13.957 8.385 1.00 0.00 C ATOM 1601 CD PRO B 58 69.505 -13.954 7.923 1.00 0.00 C ATOM 0 HA PRO B 58 69.919 -11.746 10.098 1.00 0.00 H new ATOM 0 HB2 PRO B 58 71.750 -12.098 7.684 1.00 0.00 H new ATOM 0 HB3 PRO B 58 72.111 -12.444 9.364 1.00 0.00 H new ATOM 0 HG2 PRO B 58 71.603 -14.424 7.639 1.00 0.00 H new ATOM 0 HG3 PRO B 58 71.073 -14.529 9.306 1.00 0.00 H new ATOM 0 HD2 PRO B 58 69.431 -14.052 6.840 1.00 0.00 H new ATOM 0 HD3 PRO B 58 68.948 -14.784 8.357 1.00 0.00 H new ATOM 1609 N THR B 59 69.745 -10.196 7.234 1.00 0.00 N ATOM 1610 CA THR B 59 69.732 -8.859 6.643 1.00 0.00 C ATOM 1611 C THR B 59 68.572 -8.032 7.197 1.00 0.00 C ATOM 1612 O THR B 59 68.618 -6.803 7.192 1.00 0.00 O ATOM 1613 CB THR B 59 69.600 -8.960 5.123 1.00 0.00 C ATOM 1614 OG1 THR B 59 68.353 -9.554 4.796 1.00 0.00 O ATOM 1615 CG2 THR B 59 70.736 -9.819 4.569 1.00 0.00 C ATOM 0 H THR B 59 69.492 -10.948 6.593 1.00 0.00 H new ATOM 0 HA THR B 59 70.670 -8.366 6.898 1.00 0.00 H new ATOM 0 HB THR B 59 69.653 -7.963 4.686 1.00 0.00 H new ATOM 0 HG1 THR B 59 68.377 -10.508 5.018 1.00 0.00 H new ATOM 0 HG21 THR B 59 70.642 -9.891 3.485 1.00 0.00 H new ATOM 0 HG22 THR B 59 71.693 -9.363 4.821 1.00 0.00 H new ATOM 0 HG23 THR B 59 70.684 -10.817 5.005 1.00 0.00 H new ATOM 1623 N PHE B 60 67.534 -8.719 7.668 1.00 0.00 N ATOM 1624 CA PHE B 60 66.411 -8.046 8.323 1.00 0.00 C ATOM 1625 C PHE B 60 66.417 -8.137 9.843 1.00 0.00 C ATOM 1626 O PHE B 60 66.630 -9.210 10.410 1.00 0.00 O ATOM 1627 CB PHE B 60 65.131 -8.686 7.791 1.00 0.00 C ATOM 1628 CG PHE B 60 63.932 -8.018 8.424 1.00 0.00 C ATOM 1629 CD1 PHE B 60 63.425 -6.832 7.880 1.00 0.00 C ATOM 1630 CD2 PHE B 60 63.327 -8.583 9.556 1.00 0.00 C ATOM 1631 CE1 PHE B 60 62.314 -6.215 8.465 1.00 0.00 C ATOM 1632 CE2 PHE B 60 62.217 -7.963 10.139 1.00 0.00 C ATOM 1633 CZ PHE B 60 61.710 -6.779 9.594 1.00 0.00 C ATOM 0 H PHE B 60 67.445 -9.733 7.610 1.00 0.00 H new ATOM 0 HA PHE B 60 66.487 -6.983 8.094 1.00 0.00 H new ATOM 0 HB2 PHE B 60 65.086 -8.586 6.707 1.00 0.00 H new ATOM 0 HB3 PHE B 60 65.126 -9.753 8.014 1.00 0.00 H new ATOM 0 HD1 PHE B 60 63.891 -6.394 7.010 1.00 0.00 H new ATOM 0 HD2 PHE B 60 63.718 -9.497 9.978 1.00 0.00 H new ATOM 0 HE1 PHE B 60 61.922 -5.301 8.044 1.00 0.00 H new ATOM 0 HE2 PHE B 60 61.751 -8.399 11.010 1.00 0.00 H new ATOM 0 HZ PHE B 60 60.853 -6.300 10.044 1.00 0.00 H new ATOM 1643 N LEU B 61 66.177 -7.006 10.498 1.00 0.00 N ATOM 1644 CA LEU B 61 66.152 -6.963 11.955 1.00 0.00 C ATOM 1645 C LEU B 61 64.720 -6.793 12.449 1.00 0.00 C ATOM 1646 O LEU B 61 63.901 -6.138 11.802 1.00 0.00 O ATOM 1647 CB LEU B 61 67.016 -5.800 12.454 1.00 0.00 C ATOM 1648 CG LEU B 61 68.436 -5.941 11.899 1.00 0.00 C ATOM 1649 CD1 LEU B 61 69.285 -4.755 12.359 1.00 0.00 C ATOM 1650 CD2 LEU B 61 69.069 -7.243 12.405 1.00 0.00 C ATOM 0 H LEU B 61 65.998 -6.110 10.045 1.00 0.00 H new ATOM 0 HA LEU B 61 66.551 -7.900 12.344 1.00 0.00 H new ATOM 0 HB2 LEU B 61 66.584 -4.851 12.138 1.00 0.00 H new ATOM 0 HB3 LEU B 61 67.040 -5.792 13.544 1.00 0.00 H new ATOM 0 HG LEU B 61 68.392 -5.961 10.810 1.00 0.00 H new ATOM 0 HD11 LEU B 61 70.296 -4.856 11.964 1.00 0.00 H new ATOM 0 HD12 LEU B 61 68.843 -3.828 11.994 1.00 0.00 H new ATOM 0 HD13 LEU B 61 69.322 -4.735 13.448 1.00 0.00 H new ATOM 0 HD21 LEU B 61 70.079 -7.336 12.006 1.00 0.00 H new ATOM 0 HD22 LEU B 61 69.109 -7.229 13.494 1.00 0.00 H new ATOM 0 HD23 LEU B 61 68.469 -8.091 12.075 1.00 0.00 H new ATOM 1662 N ARG B 62 64.423 -7.393 13.593 1.00 0.00 N ATOM 1663 CA ARG B 62 63.085 -7.314 14.163 1.00 0.00 C ATOM 1664 C ARG B 62 62.672 -5.858 14.340 1.00 0.00 C ATOM 1665 O ARG B 62 63.473 -5.016 14.751 1.00 0.00 O ATOM 1666 CB ARG B 62 63.068 -8.012 15.524 1.00 0.00 C ATOM 1667 CG ARG B 62 63.454 -9.488 15.372 1.00 0.00 C ATOM 1668 CD ARG B 62 62.234 -10.312 14.951 1.00 0.00 C ATOM 1669 NE ARG B 62 62.586 -11.722 14.860 1.00 0.00 N ATOM 1670 CZ ARG B 62 61.671 -12.635 14.563 1.00 0.00 C ATOM 1671 NH1 ARG B 62 60.436 -12.272 14.349 1.00 0.00 N ATOM 1672 NH2 ARG B 62 62.006 -13.893 14.484 1.00 0.00 N ATOM 0 H ARG B 62 65.087 -7.938 14.143 1.00 0.00 H new ATOM 0 HA ARG B 62 62.384 -7.804 13.487 1.00 0.00 H new ATOM 0 HB2 ARG B 62 63.762 -7.516 16.203 1.00 0.00 H new ATOM 0 HB3 ARG B 62 62.076 -7.933 15.968 1.00 0.00 H new ATOM 0 HG2 ARG B 62 64.245 -9.590 14.629 1.00 0.00 H new ATOM 0 HG3 ARG B 62 63.851 -9.867 16.314 1.00 0.00 H new ATOM 0 HD2 ARG B 62 61.428 -10.177 15.673 1.00 0.00 H new ATOM 0 HD3 ARG B 62 61.863 -9.960 13.989 1.00 0.00 H new ATOM 0 HE ARG B 62 63.550 -12.012 15.027 1.00 0.00 H new ATOM 0 HH11 ARG B 62 60.176 -11.288 14.410 1.00 0.00 H new ATOM 0 HH12 ARG B 62 59.731 -12.973 14.120 1.00 0.00 H new ATOM 0 HH21 ARG B 62 62.972 -14.175 14.651 1.00 0.00 H new ATOM 0 HH22 ARG B 62 61.302 -14.595 14.256 1.00 0.00 H new ATOM 1686 N MET B 63 61.416 -5.574 14.014 1.00 0.00 N ATOM 1687 CA MET B 63 60.886 -4.218 14.122 1.00 0.00 C ATOM 1688 C MET B 63 59.702 -4.181 15.083 1.00 0.00 C ATOM 1689 O MET B 63 59.048 -5.199 15.322 1.00 0.00 O ATOM 1690 CB MET B 63 60.424 -3.730 12.749 1.00 0.00 C ATOM 1691 CG MET B 63 61.475 -4.083 11.699 1.00 0.00 C ATOM 1692 SD MET B 63 63.075 -3.357 12.146 1.00 0.00 S ATOM 1693 CE MET B 63 62.660 -1.625 11.828 1.00 0.00 C ATOM 0 H MET B 63 60.746 -6.263 13.673 1.00 0.00 H new ATOM 0 HA MET B 63 61.677 -3.571 14.500 1.00 0.00 H new ATOM 0 HB2 MET B 63 59.469 -4.189 12.491 1.00 0.00 H new ATOM 0 HB3 MET B 63 60.264 -2.652 12.770 1.00 0.00 H new ATOM 0 HG2 MET B 63 61.569 -5.166 11.618 1.00 0.00 H new ATOM 0 HG3 MET B 63 61.161 -3.716 10.722 1.00 0.00 H new ATOM 0 HE1 MET B 63 63.576 -1.050 11.696 1.00 0.00 H new ATOM 0 HE2 MET B 63 62.054 -1.556 10.924 1.00 0.00 H new ATOM 0 HE3 MET B 63 62.099 -1.224 12.672 1.00 0.00 H new ATOM 1703 N ASP B 64 59.427 -2.998 15.621 1.00 0.00 N ATOM 1704 CA ASP B 64 58.316 -2.822 16.544 1.00 0.00 C ATOM 1705 C ASP B 64 56.995 -2.883 15.794 1.00 0.00 C ATOM 1706 O ASP B 64 56.968 -2.914 14.566 1.00 0.00 O ATOM 1707 CB ASP B 64 58.436 -1.481 17.270 1.00 0.00 C ATOM 1708 CG ASP B 64 59.570 -1.540 18.289 1.00 0.00 C ATOM 1709 OD1 ASP B 64 60.041 -2.632 18.561 1.00 0.00 O ATOM 1710 OD2 ASP B 64 59.951 -0.491 18.783 1.00 0.00 O ATOM 0 H ASP B 64 59.959 -2.148 15.433 1.00 0.00 H new ATOM 0 HA ASP B 64 58.346 -3.627 17.278 1.00 0.00 H new ATOM 0 HB2 ASP B 64 58.623 -0.684 16.551 1.00 0.00 H new ATOM 0 HB3 ASP B 64 57.497 -1.244 17.771 1.00 0.00 H new ATOM 1715 N ASN B 65 55.900 -2.915 16.540 1.00 0.00 N ATOM 1716 CA ASN B 65 54.585 -2.992 15.925 1.00 0.00 C ATOM 1717 C ASN B 65 54.349 -1.791 15.021 1.00 0.00 C ATOM 1718 O ASN B 65 53.845 -1.931 13.908 1.00 0.00 O ATOM 1719 CB ASN B 65 53.501 -3.024 17.010 1.00 0.00 C ATOM 1720 CG ASN B 65 53.514 -4.365 17.736 1.00 0.00 C ATOM 1721 OD1 ASN B 65 54.092 -5.334 17.246 1.00 0.00 O ATOM 1722 ND2 ASN B 65 52.892 -4.480 18.878 1.00 0.00 N ATOM 0 H ASN B 65 55.896 -2.889 17.560 1.00 0.00 H new ATOM 0 HA ASN B 65 54.537 -3.904 15.330 1.00 0.00 H new ATOM 0 HB2 ASN B 65 53.667 -2.216 17.723 1.00 0.00 H new ATOM 0 HB3 ASN B 65 52.522 -2.856 16.560 1.00 0.00 H new ATOM 0 HD21 ASN B 65 52.884 -5.375 19.367 1.00 0.00 H new ATOM 0 HD22 ASN B 65 52.414 -3.675 19.282 1.00 0.00 H new ATOM 1729 N ASN B 66 54.728 -0.615 15.495 1.00 0.00 N ATOM 1730 CA ASN B 66 54.556 0.592 14.705 1.00 0.00 C ATOM 1731 C ASN B 66 55.453 0.565 13.473 1.00 0.00 C ATOM 1732 O ASN B 66 55.017 0.871 12.365 1.00 0.00 O ATOM 1733 CB ASN B 66 54.897 1.822 15.553 1.00 0.00 C ATOM 1734 CG ASN B 66 54.299 1.686 16.948 1.00 0.00 C ATOM 1735 OD1 ASN B 66 53.083 1.753 17.111 1.00 0.00 O ATOM 1736 ND2 ASN B 66 55.088 1.502 17.973 1.00 0.00 N ATOM 0 H ASN B 66 55.152 -0.471 16.412 1.00 0.00 H new ATOM 0 HA ASN B 66 53.516 0.643 14.382 1.00 0.00 H new ATOM 0 HB2 ASN B 66 55.979 1.935 15.623 1.00 0.00 H new ATOM 0 HB3 ASN B 66 54.513 2.722 15.072 1.00 0.00 H new ATOM 0 HD21 ASN B 66 54.695 1.414 18.910 1.00 0.00 H new ATOM 0 HD22 ASN B 66 56.097 1.447 17.836 1.00 0.00 H new ATOM 1743 N ALA B 67 56.711 0.189 13.676 1.00 0.00 N ATOM 1744 CA ALA B 67 57.662 0.129 12.573 1.00 0.00 C ATOM 1745 C ALA B 67 57.257 -0.940 11.569 1.00 0.00 C ATOM 1746 O ALA B 67 57.313 -0.722 10.358 1.00 0.00 O ATOM 1747 CB ALA B 67 59.065 -0.164 13.106 1.00 0.00 C ATOM 0 H ALA B 67 57.093 -0.076 14.584 1.00 0.00 H new ATOM 0 HA ALA B 67 57.663 1.095 12.069 1.00 0.00 H new ATOM 0 HB1 ALA B 67 59.768 -0.207 12.275 1.00 0.00 H new ATOM 0 HB2 ALA B 67 59.365 0.626 13.795 1.00 0.00 H new ATOM 0 HB3 ALA B 67 59.063 -1.120 13.629 1.00 0.00 H new ATOM 1753 N ALA B 68 56.845 -2.091 12.082 1.00 0.00 N ATOM 1754 CA ALA B 68 56.425 -3.184 11.227 1.00 0.00 C ATOM 1755 C ALA B 68 55.229 -2.760 10.386 1.00 0.00 C ATOM 1756 O ALA B 68 55.131 -3.108 9.210 1.00 0.00 O ATOM 1757 CB ALA B 68 56.053 -4.393 12.085 1.00 0.00 C ATOM 0 H ALA B 68 56.794 -2.288 13.081 1.00 0.00 H new ATOM 0 HA ALA B 68 57.246 -3.452 10.562 1.00 0.00 H new ATOM 0 HB1 ALA B 68 55.738 -5.213 11.440 1.00 0.00 H new ATOM 0 HB2 ALA B 68 56.918 -4.704 12.671 1.00 0.00 H new ATOM 0 HB3 ALA B 68 55.237 -4.125 12.757 1.00 0.00 H new ATOM 1763 N ALA B 69 54.319 -2.005 10.992 1.00 0.00 N ATOM 1764 CA ALA B 69 53.135 -1.549 10.277 1.00 0.00 C ATOM 1765 C ALA B 69 53.520 -0.694 9.073 1.00 0.00 C ATOM 1766 O ALA B 69 52.955 -0.843 7.989 1.00 0.00 O ATOM 1767 CB ALA B 69 52.248 -0.729 11.214 1.00 0.00 C ATOM 0 H ALA B 69 54.377 -1.700 11.963 1.00 0.00 H new ATOM 0 HA ALA B 69 52.592 -2.426 9.925 1.00 0.00 H new ATOM 0 HB1 ALA B 69 51.364 -0.390 10.674 1.00 0.00 H new ATOM 0 HB2 ALA B 69 51.943 -1.346 12.059 1.00 0.00 H new ATOM 0 HB3 ALA B 69 52.804 0.135 11.578 1.00 0.00 H new ATOM 1773 N ILE B 70 54.485 0.195 9.265 1.00 0.00 N ATOM 1774 CA ILE B 70 54.932 1.062 8.181 1.00 0.00 C ATOM 1775 C ILE B 70 55.573 0.240 7.075 1.00 0.00 C ATOM 1776 O ILE B 70 55.300 0.443 5.890 1.00 0.00 O ATOM 1777 CB ILE B 70 55.942 2.090 8.713 1.00 0.00 C ATOM 1778 CG1 ILE B 70 55.280 2.973 9.782 1.00 0.00 C ATOM 1779 CG2 ILE B 70 56.466 2.963 7.570 1.00 0.00 C ATOM 1780 CD1 ILE B 70 54.030 3.655 9.229 1.00 0.00 C ATOM 0 H ILE B 70 54.970 0.335 10.151 1.00 0.00 H new ATOM 0 HA ILE B 70 54.066 1.585 7.775 1.00 0.00 H new ATOM 0 HB ILE B 70 56.780 1.555 9.159 1.00 0.00 H new ATOM 0 HG12 ILE B 70 55.015 2.366 10.648 1.00 0.00 H new ATOM 0 HG13 ILE B 70 55.988 3.727 10.126 1.00 0.00 H new ATOM 0 HG21 ILE B 70 57.181 3.686 7.963 1.00 0.00 H new ATOM 0 HG22 ILE B 70 56.957 2.334 6.828 1.00 0.00 H new ATOM 0 HG23 ILE B 70 55.634 3.491 7.105 1.00 0.00 H new ATOM 0 HD11 ILE B 70 53.580 4.274 10.005 1.00 0.00 H new ATOM 0 HD12 ILE B 70 54.303 4.280 8.379 1.00 0.00 H new ATOM 0 HD13 ILE B 70 53.314 2.898 8.908 1.00 0.00 H new ATOM 1792 N LYS B 71 56.423 -0.696 7.463 1.00 0.00 N ATOM 1793 CA LYS B 71 57.085 -1.538 6.485 1.00 0.00 C ATOM 1794 C LYS B 71 56.060 -2.394 5.756 1.00 0.00 C ATOM 1795 O LYS B 71 56.151 -2.597 4.544 1.00 0.00 O ATOM 1796 CB LYS B 71 58.120 -2.432 7.165 1.00 0.00 C ATOM 1797 CG LYS B 71 59.286 -1.572 7.671 1.00 0.00 C ATOM 1798 CD LYS B 71 60.463 -2.464 8.080 1.00 0.00 C ATOM 1799 CE LYS B 71 61.307 -2.820 6.847 1.00 0.00 C ATOM 1800 NZ LYS B 71 62.727 -3.008 7.256 1.00 0.00 N ATOM 0 H LYS B 71 56.668 -0.889 8.434 1.00 0.00 H new ATOM 0 HA LYS B 71 57.595 -0.899 5.764 1.00 0.00 H new ATOM 0 HB2 LYS B 71 57.663 -2.969 7.996 1.00 0.00 H new ATOM 0 HB3 LYS B 71 58.485 -3.182 6.464 1.00 0.00 H new ATOM 0 HG2 LYS B 71 59.600 -0.878 6.892 1.00 0.00 H new ATOM 0 HG3 LYS B 71 58.962 -0.972 8.521 1.00 0.00 H new ATOM 0 HD2 LYS B 71 61.080 -1.950 8.817 1.00 0.00 H new ATOM 0 HD3 LYS B 71 60.093 -3.374 8.553 1.00 0.00 H new ATOM 0 HE2 LYS B 71 60.927 -3.730 6.383 1.00 0.00 H new ATOM 0 HE3 LYS B 71 61.234 -2.028 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 63.218 -3.591 6.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 63.194 -2.081 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 62.762 -3.483 8.181 1.00 0.00 H new ATOM 1814 N ALA B 72 55.079 -2.886 6.502 1.00 0.00 N ATOM 1815 CA ALA B 72 54.037 -3.710 5.917 1.00 0.00 C ATOM 1816 C ALA B 72 53.269 -2.914 4.871 1.00 0.00 C ATOM 1817 O ALA B 72 52.938 -3.434 3.806 1.00 0.00 O ATOM 1818 CB ALA B 72 53.074 -4.190 7.003 1.00 0.00 C ATOM 0 H ALA B 72 54.986 -2.729 7.505 1.00 0.00 H new ATOM 0 HA ALA B 72 54.501 -4.575 5.442 1.00 0.00 H new ATOM 0 HB1 ALA B 72 52.296 -4.807 6.553 1.00 0.00 H new ATOM 0 HB2 ALA B 72 53.621 -4.777 7.741 1.00 0.00 H new ATOM 0 HB3 ALA B 72 52.617 -3.329 7.490 1.00 0.00 H new ATOM 1824 N LEU B 73 52.991 -1.648 5.176 1.00 0.00 N ATOM 1825 CA LEU B 73 52.262 -0.806 4.234 1.00 0.00 C ATOM 1826 C LEU B 73 53.061 -0.631 2.948 1.00 0.00 C ATOM 1827 O LEU B 73 52.512 -0.703 1.848 1.00 0.00 O ATOM 1828 CB LEU B 73 51.982 0.561 4.867 1.00 0.00 C ATOM 1829 CG LEU B 73 51.225 1.461 3.880 1.00 0.00 C ATOM 1830 CD1 LEU B 73 49.885 0.820 3.511 1.00 0.00 C ATOM 1831 CD2 LEU B 73 50.976 2.825 4.527 1.00 0.00 C ATOM 0 H LEU B 73 53.254 -1.191 6.049 1.00 0.00 H new ATOM 0 HA LEU B 73 51.316 -1.289 3.992 1.00 0.00 H new ATOM 0 HB2 LEU B 73 51.396 0.435 5.777 1.00 0.00 H new ATOM 0 HB3 LEU B 73 52.920 1.035 5.155 1.00 0.00 H new ATOM 0 HG LEU B 73 51.822 1.585 2.977 1.00 0.00 H new ATOM 0 HD11 LEU B 73 49.354 1.465 2.811 1.00 0.00 H new ATOM 0 HD12 LEU B 73 50.061 -0.151 3.048 1.00 0.00 H new ATOM 0 HD13 LEU B 73 49.284 0.689 4.411 1.00 0.00 H new ATOM 0 HD21 LEU B 73 50.439 3.466 3.828 1.00 0.00 H new ATOM 0 HD22 LEU B 73 50.382 2.696 5.432 1.00 0.00 H new ATOM 0 HD23 LEU B 73 51.930 3.286 4.783 1.00 0.00 H new ATOM 1843 N GLU B 74 54.356 -0.382 3.094 1.00 0.00 N ATOM 1844 CA GLU B 74 55.219 -0.179 1.937 1.00 0.00 C ATOM 1845 C GLU B 74 55.260 -1.429 1.073 1.00 0.00 C ATOM 1846 O GLU B 74 55.255 -1.336 -0.150 1.00 0.00 O ATOM 1847 CB GLU B 74 56.635 0.173 2.399 1.00 0.00 C ATOM 1848 CG GLU B 74 56.630 1.546 3.076 1.00 0.00 C ATOM 1849 CD GLU B 74 56.360 2.636 2.046 1.00 0.00 C ATOM 1850 OE1 GLU B 74 56.492 2.356 0.866 1.00 0.00 O ATOM 1851 OE2 GLU B 74 56.027 3.738 2.452 1.00 0.00 O ATOM 0 H GLU B 74 54.829 -0.316 3.995 1.00 0.00 H new ATOM 0 HA GLU B 74 54.815 0.642 1.345 1.00 0.00 H new ATOM 0 HB2 GLU B 74 57.000 -0.584 3.093 1.00 0.00 H new ATOM 0 HB3 GLU B 74 57.315 0.179 1.547 1.00 0.00 H new ATOM 0 HG2 GLU B 74 55.868 1.574 3.855 1.00 0.00 H new ATOM 0 HG3 GLU B 74 57.589 1.724 3.562 1.00 0.00 H new ATOM 1858 N LEU B 75 55.296 -2.595 1.715 1.00 0.00 N ATOM 1859 CA LEU B 75 55.336 -3.865 0.991 1.00 0.00 C ATOM 1860 C LEU B 75 54.094 -4.019 0.122 1.00 0.00 C ATOM 1861 O LEU B 75 54.177 -4.441 -1.032 1.00 0.00 O ATOM 1862 CB LEU B 75 55.410 -5.017 1.996 1.00 0.00 C ATOM 1863 CG LEU B 75 56.815 -5.075 2.608 1.00 0.00 C ATOM 1864 CD1 LEU B 75 56.756 -5.772 3.968 1.00 0.00 C ATOM 1865 CD2 LEU B 75 57.756 -5.880 1.700 1.00 0.00 C ATOM 0 H LEU B 75 55.298 -2.687 2.731 1.00 0.00 H new ATOM 0 HA LEU B 75 56.215 -3.881 0.347 1.00 0.00 H new ATOM 0 HB2 LEU B 75 54.666 -4.877 2.780 1.00 0.00 H new ATOM 0 HB3 LEU B 75 55.178 -5.960 1.501 1.00 0.00 H new ATOM 0 HG LEU B 75 57.185 -4.056 2.717 1.00 0.00 H new ATOM 0 HD11 LEU B 75 57.756 -5.812 4.400 1.00 0.00 H new ATOM 0 HD12 LEU B 75 56.095 -5.216 4.633 1.00 0.00 H new ATOM 0 HD13 LEU B 75 56.375 -6.785 3.841 1.00 0.00 H new ATOM 0 HD21 LEU B 75 58.750 -5.914 2.145 1.00 0.00 H new ATOM 0 HD22 LEU B 75 57.374 -6.895 1.588 1.00 0.00 H new ATOM 0 HD23 LEU B 75 57.813 -5.404 0.721 1.00 0.00 H new ATOM 1877 N TYR B 76 52.947 -3.651 0.678 1.00 0.00 N ATOM 1878 CA TYR B 76 51.693 -3.727 -0.057 1.00 0.00 C ATOM 1879 C TYR B 76 51.759 -2.848 -1.300 1.00 0.00 C ATOM 1880 O TYR B 76 51.352 -3.259 -2.385 1.00 0.00 O ATOM 1881 CB TYR B 76 50.526 -3.293 0.831 1.00 0.00 C ATOM 1882 CG TYR B 76 49.263 -3.238 0.005 1.00 0.00 C ATOM 1883 CD1 TYR B 76 48.566 -4.415 -0.300 1.00 0.00 C ATOM 1884 CD2 TYR B 76 48.792 -2.005 -0.459 1.00 0.00 C ATOM 1885 CE1 TYR B 76 47.398 -4.355 -1.071 1.00 0.00 C ATOM 1886 CE2 TYR B 76 47.624 -1.946 -1.229 1.00 0.00 C ATOM 1887 CZ TYR B 76 46.927 -3.121 -1.535 1.00 0.00 C ATOM 1888 OH TYR B 76 45.777 -3.065 -2.293 1.00 0.00 O ATOM 0 H TYR B 76 52.860 -3.299 1.631 1.00 0.00 H new ATOM 0 HA TYR B 76 51.532 -4.761 -0.363 1.00 0.00 H new ATOM 0 HB2 TYR B 76 50.403 -3.993 1.658 1.00 0.00 H new ATOM 0 HB3 TYR B 76 50.731 -2.316 1.268 1.00 0.00 H new ATOM 0 HD1 TYR B 76 48.929 -5.367 0.059 1.00 0.00 H new ATOM 0 HD2 TYR B 76 49.329 -1.098 -0.223 1.00 0.00 H new ATOM 0 HE1 TYR B 76 46.860 -5.261 -1.308 1.00 0.00 H new ATOM 0 HE2 TYR B 76 47.261 -0.994 -1.587 1.00 0.00 H new ATOM 0 HH TYR B 76 45.180 -3.798 -2.036 1.00 0.00 H new ATOM 1898 N LYS B 77 52.268 -1.632 -1.136 1.00 0.00 N ATOM 1899 CA LYS B 77 52.368 -0.700 -2.254 1.00 0.00 C ATOM 1900 C LYS B 77 53.166 -1.324 -3.396 1.00 0.00 C ATOM 1901 O LYS B 77 52.749 -1.277 -4.554 1.00 0.00 O ATOM 1902 CB LYS B 77 53.066 0.582 -1.785 1.00 0.00 C ATOM 1903 CG LYS B 77 53.179 1.569 -2.951 1.00 0.00 C ATOM 1904 CD LYS B 77 53.826 2.866 -2.471 1.00 0.00 C ATOM 1905 CE LYS B 77 55.345 2.767 -2.622 1.00 0.00 C ATOM 1906 NZ LYS B 77 55.702 2.759 -4.071 1.00 0.00 N ATOM 0 H LYS B 77 52.615 -1.270 -0.248 1.00 0.00 H new ATOM 0 HA LYS B 77 51.365 -0.467 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS B 77 52.505 1.034 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS B 77 54.058 0.346 -1.399 1.00 0.00 H new ATOM 0 HG2 LYS B 77 53.773 1.131 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS B 77 52.191 1.775 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS B 77 53.447 3.709 -3.049 1.00 0.00 H new ATOM 0 HD3 LYS B 77 53.565 3.051 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS B 77 55.826 3.608 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS B 77 55.710 1.859 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 56.640 3.190 -4.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 55.720 1.779 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 54.995 3.303 -4.606 1.00 0.00 H new ATOM 1920 N ILE B 78 54.305 -1.910 -3.063 1.00 0.00 N ATOM 1921 CA ILE B 78 55.150 -2.547 -4.073 1.00 0.00 C ATOM 1922 C ILE B 78 54.646 -3.947 -4.388 1.00 0.00 C ATOM 1923 O ILE B 78 55.172 -4.626 -5.271 1.00 0.00 O ATOM 1924 CB ILE B 78 56.598 -2.615 -3.581 1.00 0.00 C ATOM 1925 CG1 ILE B 78 56.651 -3.411 -2.290 1.00 0.00 C ATOM 1926 CG2 ILE B 78 57.121 -1.204 -3.322 1.00 0.00 C ATOM 1927 CD1 ILE B 78 58.096 -3.496 -1.796 1.00 0.00 C ATOM 0 H ILE B 78 54.668 -1.960 -2.111 1.00 0.00 H new ATOM 0 HA ILE B 78 55.108 -1.948 -4.983 1.00 0.00 H new ATOM 0 HB ILE B 78 57.215 -3.097 -4.340 1.00 0.00 H new ATOM 0 HG12 ILE B 78 56.025 -2.938 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE B 78 56.252 -4.412 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE B 78 58.152 -1.257 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE B 78 57.080 -0.626 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE B 78 56.505 -0.721 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE B 78 58.131 -4.068 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE B 78 58.710 -3.989 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE B 78 58.479 -2.491 -1.617 1.00 0.00 H new ATOM 1939 N ASN B 79 53.628 -4.376 -3.656 1.00 0.00 N ATOM 1940 CA ASN B 79 53.065 -5.699 -3.861 1.00 0.00 C ATOM 1941 C ASN B 79 54.145 -6.764 -3.722 1.00 0.00 C ATOM 1942 O ASN B 79 54.186 -7.722 -4.495 1.00 0.00 O ATOM 1943 CB ASN B 79 52.429 -5.787 -5.250 1.00 0.00 C ATOM 1944 CG ASN B 79 51.481 -6.979 -5.313 1.00 0.00 C ATOM 1945 OD1 ASN B 79 50.818 -7.301 -4.326 1.00 0.00 O ATOM 1946 ND2 ASN B 79 51.377 -7.659 -6.422 1.00 0.00 N ATOM 0 H ASN B 79 53.179 -3.830 -2.920 1.00 0.00 H new ATOM 0 HA ASN B 79 52.301 -5.872 -3.103 1.00 0.00 H new ATOM 0 HB2 ASN B 79 51.886 -4.868 -5.470 1.00 0.00 H new ATOM 0 HB3 ASN B 79 53.205 -5.888 -6.009 1.00 0.00 H new ATOM 0 HD21 ASN B 79 50.746 -8.459 -6.473 1.00 0.00 H new ATOM 0 HD22 ASN B 79 51.927 -7.391 -7.238 1.00 0.00 H new ATOM 1953 N ALA B 80 55.019 -6.593 -2.734 1.00 0.00 N ATOM 1954 CA ALA B 80 56.094 -7.552 -2.510 1.00 0.00 C ATOM 1955 C ALA B 80 55.526 -8.962 -2.395 1.00 0.00 C ATOM 1956 O ALA B 80 54.485 -9.178 -1.775 1.00 0.00 O ATOM 1957 CB ALA B 80 56.841 -7.202 -1.222 1.00 0.00 C ATOM 0 H ALA B 80 55.004 -5.808 -2.083 1.00 0.00 H new ATOM 0 HA ALA B 80 56.781 -7.510 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA B 80 57.643 -7.922 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA B 80 57.264 -6.201 -1.307 1.00 0.00 H new ATOM 0 HB3 ALA B 80 56.149 -7.234 -0.380 1.00 0.00 H new ATOM 1963 N LYS B 81 56.219 -9.914 -3.008 1.00 0.00 N ATOM 1964 CA LYS B 81 55.784 -11.306 -2.988 1.00 0.00 C ATOM 1965 C LYS B 81 56.025 -11.928 -1.618 1.00 0.00 C ATOM 1966 O LYS B 81 57.018 -11.629 -0.954 1.00 0.00 O ATOM 1967 CB LYS B 81 56.543 -12.105 -4.051 1.00 0.00 C ATOM 1968 CG LYS B 81 56.184 -11.576 -5.442 1.00 0.00 C ATOM 1969 CD LYS B 81 56.943 -12.379 -6.505 1.00 0.00 C ATOM 1970 CE LYS B 81 56.589 -11.853 -7.898 1.00 0.00 C ATOM 1971 NZ LYS B 81 57.331 -12.633 -8.930 1.00 0.00 N ATOM 0 H LYS B 81 57.083 -9.749 -3.524 1.00 0.00 H new ATOM 0 HA LYS B 81 54.716 -11.333 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS B 81 57.617 -12.022 -3.885 1.00 0.00 H new ATOM 0 HB3 LYS B 81 56.289 -13.162 -3.976 1.00 0.00 H new ATOM 0 HG2 LYS B 81 55.110 -11.657 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS B 81 56.439 -10.519 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS B 81 58.017 -12.299 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS B 81 56.687 -13.436 -6.429 1.00 0.00 H new ATOM 0 HE2 LYS B 81 55.515 -11.936 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS B 81 56.843 -10.796 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 57.090 -12.275 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 58.354 -12.532 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 57.067 -13.637 -8.862 1.00 0.00 H new ATOM 1985 N LEU B 82 55.111 -12.799 -1.207 1.00 0.00 N ATOM 1986 CA LEU B 82 55.229 -13.472 0.081 1.00 0.00 C ATOM 1987 C LEU B 82 56.301 -14.547 0.033 1.00 0.00 C ATOM 1988 O LEU B 82 56.516 -15.186 -0.998 1.00 0.00 O ATOM 1989 CB LEU B 82 53.893 -14.099 0.479 1.00 0.00 C ATOM 1990 CG LEU B 82 52.903 -12.990 0.846 1.00 0.00 C ATOM 1991 CD1 LEU B 82 51.501 -13.582 0.989 1.00 0.00 C ATOM 1992 CD2 LEU B 82 53.305 -12.320 2.170 1.00 0.00 C ATOM 0 H LEU B 82 54.283 -13.055 -1.745 1.00 0.00 H new ATOM 0 HA LEU B 82 55.512 -12.727 0.824 1.00 0.00 H new ATOM 0 HB2 LEU B 82 53.499 -14.696 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU B 82 54.032 -14.773 1.324 1.00 0.00 H new ATOM 0 HG LEU B 82 52.913 -12.241 0.054 1.00 0.00 H new ATOM 0 HD11 LEU B 82 50.797 -12.792 1.250 1.00 0.00 H new ATOM 0 HD12 LEU B 82 51.201 -14.038 0.046 1.00 0.00 H new ATOM 0 HD13 LEU B 82 51.504 -14.339 1.773 1.00 0.00 H new ATOM 0 HD21 LEU B 82 52.589 -11.535 2.413 1.00 0.00 H new ATOM 0 HD22 LEU B 82 53.312 -13.064 2.967 1.00 0.00 H new ATOM 0 HD23 LEU B 82 54.300 -11.885 2.071 1.00 0.00 H new