USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 THR OG1 : rot 9:sc= -1.12! USER MOD Single : A 21 LYS NZ :NH3+ -119:sc= -0.252 (180deg=-3.03!) USER MOD Single : A 23 ASN : amide:sc= -7.51! C(o=-7.5!,f=-11!) USER MOD Single : A 28 ASN : amide:sc= -0.398 K(o=-0.4,f=-1.2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -149:sc= -3.17! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -50:sc= -0.652 USER MOD Single : A 55 LYS NZ :NH3+ -109:sc= -3.72! (180deg=-5.41!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -6.8! C(o=-6.8!,f=-9.4!) USER MOD Single : A 61 TYR OH : rot 147:sc= -5.41! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 157:sc= -0.0198 (180deg=-0.207) USER MOD Single : A 70 TYR OH : rot -2:sc= -3.3! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.27! K(o=-2.3!,f=-0.012) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 252 N VAL A 18 -21.873 -4.163 -1.622 1.00 0.00 N ATOM 253 CA VAL A 18 -21.075 -3.205 -2.430 1.00 0.00 C ATOM 254 C VAL A 18 -19.685 -3.793 -2.666 1.00 0.00 C ATOM 255 O VAL A 18 -19.362 -4.858 -2.177 1.00 0.00 O ATOM 256 CB VAL A 18 -20.945 -1.882 -1.677 1.00 0.00 C ATOM 257 CG1 VAL A 18 -22.315 -1.446 -1.161 1.00 0.00 C ATOM 258 CG2 VAL A 18 -19.984 -2.049 -0.496 1.00 0.00 C ATOM 0 HA VAL A 18 -21.570 -3.028 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 18 -20.555 -1.123 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -22.218 -0.502 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -22.996 -1.317 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.709 -2.207 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.895 -1.103 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.368 -2.812 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.004 -2.351 -0.865 1.00 0.00 H new ATOM 268 N THR A 19 -18.856 -3.114 -3.408 1.00 0.00 N ATOM 269 CA THR A 19 -17.491 -3.646 -3.662 1.00 0.00 C ATOM 270 C THR A 19 -16.558 -2.505 -4.075 1.00 0.00 C ATOM 271 O THR A 19 -16.652 -1.969 -5.161 1.00 0.00 O ATOM 272 CB THR A 19 -17.551 -4.693 -4.777 1.00 0.00 C ATOM 273 OG1 THR A 19 -18.345 -5.791 -4.351 1.00 0.00 O ATOM 274 CG2 THR A 19 -16.138 -5.180 -5.099 1.00 0.00 C ATOM 0 H THR A 19 -19.064 -2.217 -3.847 1.00 0.00 H new ATOM 0 HA THR A 19 -17.108 -4.107 -2.752 1.00 0.00 H new ATOM 0 HB THR A 19 -17.992 -4.248 -5.669 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.784 -5.568 -3.504 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.182 -5.925 -5.893 1.00 0.00 H new ATOM 0 HG22 THR A 19 -15.528 -4.338 -5.426 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.695 -5.625 -4.208 1.00 0.00 H new ATOM 282 N ILE A 20 -15.649 -2.143 -3.213 1.00 0.00 N ATOM 283 CA ILE A 20 -14.690 -1.049 -3.536 1.00 0.00 C ATOM 284 C ILE A 20 -13.405 -1.698 -4.060 1.00 0.00 C ATOM 285 O ILE A 20 -13.168 -2.869 -3.837 1.00 0.00 O ATOM 286 CB ILE A 20 -14.409 -0.270 -2.253 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.484 0.917 -2.526 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.750 -1.206 -1.256 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.190 2.203 -2.100 1.00 0.00 C ATOM 0 H ILE A 20 -15.528 -2.562 -2.291 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.089 -0.368 -4.288 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.348 0.115 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.549 0.801 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.229 0.960 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.542 -0.666 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.418 -2.041 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.817 -1.584 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.539 3.056 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.113 2.317 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.423 2.155 -1.036 1.00 0.00 H new ATOM 301 N LYS A 21 -12.582 -0.979 -4.772 1.00 0.00 N ATOM 302 CA LYS A 21 -11.349 -1.619 -5.304 1.00 0.00 C ATOM 303 C LYS A 21 -10.200 -0.613 -5.397 1.00 0.00 C ATOM 304 O LYS A 21 -10.252 0.343 -6.144 1.00 0.00 O ATOM 305 CB LYS A 21 -11.641 -2.173 -6.697 1.00 0.00 C ATOM 306 CG LYS A 21 -10.853 -3.464 -6.903 1.00 0.00 C ATOM 307 CD LYS A 21 -11.209 -4.069 -8.261 1.00 0.00 C ATOM 308 CE LYS A 21 -10.073 -3.808 -9.251 1.00 0.00 C ATOM 309 NZ LYS A 21 -10.546 -2.882 -10.317 1.00 0.00 N ATOM 0 H LYS A 21 -12.707 0.006 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.052 -2.419 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.708 -2.363 -6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.367 -1.441 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.783 -3.261 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.081 -4.172 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.378 -5.141 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.137 -3.634 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.217 -3.376 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.738 -4.747 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.483 -3.355 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.534 -2.614 -10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.952 -2.029 -10.324 1.00 0.00 H new ATOM 323 N ALA A 22 -9.145 -0.846 -4.668 1.00 0.00 N ATOM 324 CA ALA A 22 -7.972 0.068 -4.732 1.00 0.00 C ATOM 325 C ALA A 22 -6.886 -0.607 -5.570 1.00 0.00 C ATOM 326 O ALA A 22 -7.061 -1.711 -6.044 1.00 0.00 O ATOM 327 CB ALA A 22 -7.438 0.323 -3.322 1.00 0.00 C ATOM 0 H ALA A 22 -9.045 -1.634 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.263 1.019 -5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.579 0.993 -3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.219 0.780 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.135 -0.622 -2.871 1.00 0.00 H new ATOM 333 N ASN A 23 -5.766 0.034 -5.764 1.00 0.00 N ATOM 334 CA ASN A 23 -4.696 -0.604 -6.577 1.00 0.00 C ATOM 335 C ASN A 23 -3.345 0.040 -6.298 1.00 0.00 C ATOM 336 O ASN A 23 -3.237 1.220 -6.057 1.00 0.00 O ATOM 337 CB ASN A 23 -5.022 -0.450 -8.058 1.00 0.00 C ATOM 338 CG ASN A 23 -5.589 -1.756 -8.604 1.00 0.00 C ATOM 339 OD1 ASN A 23 -4.859 -2.593 -9.097 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.873 -1.963 -8.540 1.00 0.00 N ATOM 0 H ASN A 23 -5.548 0.961 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.645 -1.659 -6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.742 0.356 -8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.123 -0.175 -8.610 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.269 -2.830 -8.904 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.483 -1.258 -8.126 1.00 0.00 H new ATOM 347 N LEU A 24 -2.307 -0.736 -6.363 1.00 0.00 N ATOM 348 CA LEU A 24 -0.947 -0.193 -6.139 1.00 0.00 C ATOM 349 C LEU A 24 -0.167 -0.421 -7.430 1.00 0.00 C ATOM 350 O LEU A 24 -0.555 -1.237 -8.236 1.00 0.00 O ATOM 351 CB LEU A 24 -0.284 -0.944 -4.984 1.00 0.00 C ATOM 352 CG LEU A 24 -1.362 -1.425 -4.012 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.660 -2.893 -4.288 1.00 0.00 C ATOM 354 CD2 LEU A 24 -0.868 -1.257 -2.572 1.00 0.00 C ATOM 0 H LEU A 24 -2.344 -1.735 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.975 0.866 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.284 -1.793 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.422 -0.293 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.269 -0.836 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.428 -3.244 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.013 -3.006 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.752 -3.481 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.638 -1.600 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.038 -1.845 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.652 -0.206 -2.382 1.00 0.00 H new ATOM 366 N ILE A 25 0.906 0.280 -7.664 1.00 0.00 N ATOM 367 CA ILE A 25 1.643 0.051 -8.940 1.00 0.00 C ATOM 368 C ILE A 25 3.101 0.492 -8.807 1.00 0.00 C ATOM 369 O ILE A 25 3.416 1.663 -8.857 1.00 0.00 O ATOM 370 CB ILE A 25 0.958 0.843 -10.058 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.477 0.334 -10.223 1.00 0.00 C ATOM 372 CG2 ILE A 25 1.723 0.653 -11.369 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.115 0.965 -11.456 1.00 0.00 C ATOM 0 H ILE A 25 1.299 0.987 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 25 1.630 -1.013 -9.176 1.00 0.00 H new ATOM 0 HB ILE A 25 0.947 1.903 -9.802 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.478 -0.752 -10.318 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.062 0.577 -9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.232 1.218 -12.162 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.746 1.010 -11.248 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.737 -0.405 -11.632 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.135 0.598 -11.566 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.130 2.049 -11.344 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.537 0.700 -12.341 1.00 0.00 H new ATOM 385 N PHE A 26 3.993 -0.449 -8.646 1.00 0.00 N ATOM 386 CA PHE A 26 5.434 -0.103 -8.519 1.00 0.00 C ATOM 387 C PHE A 26 6.037 0.103 -9.900 1.00 0.00 C ATOM 388 O PHE A 26 5.583 -0.445 -10.885 1.00 0.00 O ATOM 389 CB PHE A 26 6.175 -1.237 -7.839 1.00 0.00 C ATOM 390 CG PHE A 26 5.422 -1.691 -6.611 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.358 -0.863 -5.483 1.00 0.00 C ATOM 392 CD2 PHE A 26 4.793 -2.942 -6.599 1.00 0.00 C ATOM 393 CE1 PHE A 26 4.665 -1.286 -4.344 1.00 0.00 C ATOM 394 CE2 PHE A 26 4.102 -3.366 -5.460 1.00 0.00 C ATOM 395 CZ PHE A 26 4.038 -2.540 -4.332 1.00 0.00 C ATOM 0 H PHE A 26 3.782 -1.446 -8.597 1.00 0.00 H new ATOM 0 HA PHE A 26 5.524 0.810 -7.931 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.293 -2.071 -8.531 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.177 -0.911 -7.560 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.844 0.102 -5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.842 -3.579 -7.470 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.613 -0.647 -3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.617 -4.331 -5.451 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.505 -2.869 -3.452 1.00 0.00 H new ATOM 405 N ALA A 27 7.073 0.878 -9.970 1.00 0.00 N ATOM 406 CA ALA A 27 7.745 1.123 -11.274 1.00 0.00 C ATOM 407 C ALA A 27 8.718 -0.020 -11.560 1.00 0.00 C ATOM 408 O ALA A 27 8.969 -0.367 -12.697 1.00 0.00 O ATOM 409 CB ALA A 27 8.514 2.444 -11.221 1.00 0.00 C ATOM 0 H ALA A 27 7.490 1.359 -9.173 1.00 0.00 H new ATOM 0 HA ALA A 27 6.995 1.176 -12.063 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.004 2.618 -12.179 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.822 3.260 -11.014 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.265 2.396 -10.432 1.00 0.00 H new ATOM 415 N ASN A 28 9.286 -0.592 -10.533 1.00 0.00 N ATOM 416 CA ASN A 28 10.263 -1.693 -10.737 1.00 0.00 C ATOM 417 C ASN A 28 9.784 -2.962 -10.030 1.00 0.00 C ATOM 418 O ASN A 28 10.080 -4.064 -10.447 1.00 0.00 O ATOM 419 CB ASN A 28 11.615 -1.274 -10.158 1.00 0.00 C ATOM 420 CG ASN A 28 11.416 -0.242 -9.044 1.00 0.00 C ATOM 421 OD1 ASN A 28 11.133 0.910 -9.309 1.00 0.00 O ATOM 422 ND2 ASN A 28 11.553 -0.610 -7.799 1.00 0.00 N ATOM 0 H ASN A 28 9.113 -0.341 -9.559 1.00 0.00 H new ATOM 0 HA ASN A 28 10.357 -1.895 -11.804 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.137 -2.147 -9.766 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.242 -0.854 -10.945 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.423 0.069 -7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.790 -1.577 -7.576 1.00 0.00 H new ATOM 429 N GLY A 29 9.050 -2.819 -8.961 1.00 0.00 N ATOM 430 CA GLY A 29 8.560 -4.022 -8.231 1.00 0.00 C ATOM 431 C GLY A 29 7.306 -4.572 -8.914 1.00 0.00 C ATOM 432 O GLY A 29 6.604 -5.395 -8.362 1.00 0.00 O ATOM 0 H GLY A 29 8.769 -1.923 -8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.337 -4.786 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.337 -3.764 -7.196 1.00 0.00 H new ATOM 436 N SER A 30 7.014 -4.118 -10.105 1.00 0.00 N ATOM 437 CA SER A 30 5.801 -4.609 -10.820 1.00 0.00 C ATOM 438 C SER A 30 4.586 -3.872 -10.278 1.00 0.00 C ATOM 439 O SER A 30 4.703 -2.990 -9.459 1.00 0.00 O ATOM 440 CB SER A 30 5.631 -6.113 -10.594 1.00 0.00 C ATOM 441 OG SER A 30 5.215 -6.726 -11.805 1.00 0.00 O ATOM 0 H SER A 30 7.565 -3.427 -10.614 1.00 0.00 H new ATOM 0 HA SER A 30 5.906 -4.425 -11.889 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.571 -6.550 -10.256 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.895 -6.294 -9.810 1.00 0.00 H new ATOM 0 HG SER A 30 5.107 -7.690 -11.664 1.00 0.00 H new ATOM 447 N THR A 31 3.418 -4.219 -10.720 1.00 0.00 N ATOM 448 CA THR A 31 2.210 -3.521 -10.208 1.00 0.00 C ATOM 449 C THR A 31 1.397 -4.489 -9.343 1.00 0.00 C ATOM 450 O THR A 31 1.656 -5.676 -9.315 1.00 0.00 O ATOM 451 CB THR A 31 1.357 -3.049 -11.386 1.00 0.00 C ATOM 452 OG1 THR A 31 0.561 -4.129 -11.854 1.00 0.00 O ATOM 453 CG2 THR A 31 2.268 -2.557 -12.513 1.00 0.00 C ATOM 0 H THR A 31 3.244 -4.951 -11.409 1.00 0.00 H new ATOM 0 HA THR A 31 2.509 -2.660 -9.611 1.00 0.00 H new ATOM 0 HB THR A 31 0.710 -2.233 -11.064 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.012 -3.828 -12.608 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.659 -2.221 -13.352 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.878 -1.729 -12.152 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.916 -3.371 -12.838 1.00 0.00 H new ATOM 461 N GLN A 32 0.415 -3.996 -8.643 1.00 0.00 N ATOM 462 CA GLN A 32 -0.418 -4.881 -7.788 1.00 0.00 C ATOM 463 C GLN A 32 -1.775 -4.213 -7.587 1.00 0.00 C ATOM 464 O GLN A 32 -1.986 -3.096 -8.011 1.00 0.00 O ATOM 465 CB GLN A 32 0.265 -5.078 -6.433 1.00 0.00 C ATOM 466 CG GLN A 32 0.898 -6.469 -6.373 1.00 0.00 C ATOM 467 CD GLN A 32 1.391 -6.740 -4.951 1.00 0.00 C ATOM 468 OE1 GLN A 32 2.573 -6.910 -4.726 1.00 0.00 O ATOM 469 NE2 GLN A 32 0.528 -6.786 -3.973 1.00 0.00 N ATOM 0 H GLN A 32 0.153 -3.010 -8.627 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.544 -5.854 -8.263 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.028 -4.314 -6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.461 -4.963 -5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.170 -7.225 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.728 -6.534 -7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.464 -6.643 -4.161 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.846 -6.965 -3.020 1.00 0.00 H new ATOM 478 N THR A 33 -2.702 -4.880 -6.964 1.00 0.00 N ATOM 479 CA THR A 33 -4.035 -4.267 -6.763 1.00 0.00 C ATOM 480 C THR A 33 -4.522 -4.534 -5.340 1.00 0.00 C ATOM 481 O THR A 33 -3.845 -5.143 -4.536 1.00 0.00 O ATOM 482 CB THR A 33 -5.025 -4.891 -7.745 1.00 0.00 C ATOM 483 OG1 THR A 33 -5.677 -5.989 -7.121 1.00 0.00 O ATOM 484 CG2 THR A 33 -4.293 -5.376 -8.999 1.00 0.00 C ATOM 0 H THR A 33 -2.592 -5.821 -6.587 1.00 0.00 H new ATOM 0 HA THR A 33 -3.963 -3.192 -6.928 1.00 0.00 H new ATOM 0 HB THR A 33 -5.761 -4.141 -8.035 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.314 -6.391 -7.748 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.010 -5.819 -9.691 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.798 -4.533 -9.480 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.549 -6.123 -8.720 1.00 0.00 H new ATOM 492 N ALA A 34 -5.706 -4.088 -5.038 1.00 0.00 N ATOM 493 CA ALA A 34 -6.279 -4.310 -3.684 1.00 0.00 C ATOM 494 C ALA A 34 -7.796 -4.175 -3.776 1.00 0.00 C ATOM 495 O ALA A 34 -8.310 -3.477 -4.628 1.00 0.00 O ATOM 496 CB ALA A 34 -5.727 -3.266 -2.711 1.00 0.00 C ATOM 0 H ALA A 34 -6.309 -3.573 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.011 -5.303 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.150 -3.433 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.642 -3.353 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.996 -2.268 -3.057 1.00 0.00 H new ATOM 502 N GLU A 35 -8.526 -4.838 -2.924 1.00 0.00 N ATOM 503 CA GLU A 35 -10.009 -4.729 -3.002 1.00 0.00 C ATOM 504 C GLU A 35 -10.643 -5.141 -1.672 1.00 0.00 C ATOM 505 O GLU A 35 -10.248 -6.109 -1.052 1.00 0.00 O ATOM 506 CB GLU A 35 -10.523 -5.643 -4.117 1.00 0.00 C ATOM 507 CG GLU A 35 -10.086 -7.085 -3.848 1.00 0.00 C ATOM 508 CD GLU A 35 -11.078 -8.049 -4.501 1.00 0.00 C ATOM 509 OE1 GLU A 35 -12.269 -7.858 -4.314 1.00 0.00 O ATOM 510 OE2 GLU A 35 -10.632 -8.961 -5.176 1.00 0.00 O ATOM 0 H GLU A 35 -8.166 -5.443 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.279 -3.695 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.610 -5.587 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.136 -5.310 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.085 -7.253 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.038 -7.268 -2.774 1.00 0.00 H new ATOM 517 N PHE A 36 -11.634 -4.412 -1.239 1.00 0.00 N ATOM 518 CA PHE A 36 -12.315 -4.747 0.038 1.00 0.00 C ATOM 519 C PHE A 36 -13.811 -4.468 -0.120 1.00 0.00 C ATOM 520 O PHE A 36 -14.269 -3.364 0.094 1.00 0.00 O ATOM 521 CB PHE A 36 -11.762 -3.897 1.180 1.00 0.00 C ATOM 522 CG PHE A 36 -10.509 -3.156 0.759 1.00 0.00 C ATOM 523 CD1 PHE A 36 -9.254 -3.770 0.886 1.00 0.00 C ATOM 524 CD2 PHE A 36 -10.599 -1.852 0.260 1.00 0.00 C ATOM 525 CE1 PHE A 36 -8.095 -3.077 0.509 1.00 0.00 C ATOM 526 CE2 PHE A 36 -9.441 -1.161 -0.113 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.187 -1.775 0.011 1.00 0.00 C ATOM 0 H PHE A 36 -12.003 -3.592 -1.721 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.144 -5.798 0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.519 -3.182 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.540 -4.534 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.181 -4.775 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.564 -1.378 0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.129 -3.551 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.513 -0.154 -0.497 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.293 -1.242 -0.278 1.00 0.00 H new ATOM 537 N LYS A 37 -14.576 -5.451 -0.504 1.00 0.00 N ATOM 538 CA LYS A 37 -16.034 -5.213 -0.693 1.00 0.00 C ATOM 539 C LYS A 37 -16.737 -5.185 0.667 1.00 0.00 C ATOM 540 O LYS A 37 -16.126 -5.365 1.701 1.00 0.00 O ATOM 541 CB LYS A 37 -16.621 -6.307 -1.606 1.00 0.00 C ATOM 542 CG LYS A 37 -17.269 -7.427 -0.789 1.00 0.00 C ATOM 543 CD LYS A 37 -16.191 -8.210 -0.034 1.00 0.00 C ATOM 544 CE LYS A 37 -16.715 -8.600 1.350 1.00 0.00 C ATOM 545 NZ LYS A 37 -15.989 -9.808 1.833 1.00 0.00 N ATOM 0 H LYS A 37 -14.258 -6.402 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.192 -4.247 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.361 -5.867 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.832 -6.722 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.987 -7.007 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.823 -8.096 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.916 -9.103 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.290 -7.605 0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.576 -7.775 2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.785 -8.801 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.344 -10.074 2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.143 -10.594 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.972 -9.601 1.893 1.00 0.00 H new ATOM 559 N GLY A 38 -18.015 -4.925 0.667 1.00 0.00 N ATOM 560 CA GLY A 38 -18.760 -4.842 1.953 1.00 0.00 C ATOM 561 C GLY A 38 -18.875 -3.366 2.325 1.00 0.00 C ATOM 562 O GLY A 38 -19.950 -2.803 2.374 1.00 0.00 O ATOM 0 H GLY A 38 -18.576 -4.766 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.749 -5.290 1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.238 -5.394 2.734 1.00 0.00 H new ATOM 566 N THR A 39 -17.760 -2.728 2.548 1.00 0.00 N ATOM 567 CA THR A 39 -17.775 -1.278 2.874 1.00 0.00 C ATOM 568 C THR A 39 -17.375 -0.523 1.608 1.00 0.00 C ATOM 569 O THR A 39 -16.291 -0.700 1.090 1.00 0.00 O ATOM 570 CB THR A 39 -16.773 -0.990 3.995 1.00 0.00 C ATOM 571 OG1 THR A 39 -16.615 0.414 4.136 1.00 0.00 O ATOM 572 CG2 THR A 39 -15.426 -1.629 3.654 1.00 0.00 C ATOM 0 H THR A 39 -16.833 -3.153 2.518 1.00 0.00 H new ATOM 0 HA THR A 39 -18.763 -0.965 3.211 1.00 0.00 H new ATOM 0 HB THR A 39 -17.142 -1.409 4.931 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.705 0.612 4.441 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.713 -1.423 4.453 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.551 -2.707 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.052 -1.213 2.718 1.00 0.00 H new ATOM 580 N PHE A 40 -18.249 0.280 1.072 1.00 0.00 N ATOM 581 CA PHE A 40 -17.917 0.994 -0.187 1.00 0.00 C ATOM 582 C PHE A 40 -16.996 2.180 0.069 1.00 0.00 C ATOM 583 O PHE A 40 -15.797 2.096 -0.094 1.00 0.00 O ATOM 584 CB PHE A 40 -19.229 1.449 -0.872 1.00 0.00 C ATOM 585 CG PHE A 40 -19.085 2.784 -1.612 1.00 0.00 C ATOM 586 CD1 PHE A 40 -17.871 3.159 -2.220 1.00 0.00 C ATOM 587 CD2 PHE A 40 -20.174 3.666 -1.651 1.00 0.00 C ATOM 588 CE1 PHE A 40 -17.754 4.397 -2.856 1.00 0.00 C ATOM 589 CE2 PHE A 40 -20.055 4.903 -2.297 1.00 0.00 C ATOM 590 CZ PHE A 40 -18.844 5.267 -2.898 1.00 0.00 C ATOM 0 H PHE A 40 -19.176 0.472 1.451 1.00 0.00 H new ATOM 0 HA PHE A 40 -17.380 0.313 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -19.550 0.682 -1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.013 1.539 -0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -17.027 2.486 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -21.107 3.391 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -16.819 4.681 -3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -20.898 5.577 -2.332 1.00 0.00 H new ATOM 0 HZ PHE A 40 -18.754 6.222 -3.394 1.00 0.00 H new ATOM 600 N GLU A 41 -17.557 3.305 0.374 1.00 0.00 N ATOM 601 CA GLU A 41 -16.733 4.511 0.524 1.00 0.00 C ATOM 602 C GLU A 41 -16.119 4.544 1.915 1.00 0.00 C ATOM 603 O GLU A 41 -15.140 5.224 2.156 1.00 0.00 O ATOM 604 CB GLU A 41 -17.614 5.718 0.211 1.00 0.00 C ATOM 605 CG GLU A 41 -16.736 6.883 -0.235 1.00 0.00 C ATOM 606 CD GLU A 41 -16.648 7.921 0.886 1.00 0.00 C ATOM 607 OE1 GLU A 41 -16.538 7.518 2.033 1.00 0.00 O ATOM 608 OE2 GLU A 41 -16.695 9.101 0.580 1.00 0.00 O ATOM 0 H GLU A 41 -18.557 3.437 0.526 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.893 4.521 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.330 5.467 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.191 5.999 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -15.739 6.523 -0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -17.150 7.339 -1.134 1.00 0.00 H new ATOM 615 N LYS A 42 -16.627 3.752 2.814 1.00 0.00 N ATOM 616 CA LYS A 42 -16.003 3.682 4.146 1.00 0.00 C ATOM 617 C LYS A 42 -14.678 2.938 3.952 1.00 0.00 C ATOM 618 O LYS A 42 -13.765 3.032 4.748 1.00 0.00 O ATOM 619 CB LYS A 42 -16.904 2.910 5.114 1.00 0.00 C ATOM 620 CG LYS A 42 -17.266 3.801 6.308 1.00 0.00 C ATOM 621 CD LYS A 42 -18.682 3.469 6.789 1.00 0.00 C ATOM 622 CE LYS A 42 -19.698 3.888 5.723 1.00 0.00 C ATOM 623 NZ LYS A 42 -21.079 3.619 6.215 1.00 0.00 N ATOM 0 H LYS A 42 -17.443 3.156 2.678 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.848 4.675 4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.810 2.586 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.395 2.011 5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.552 3.649 7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.205 4.851 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.768 2.401 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.889 3.986 7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.583 4.947 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.517 3.340 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -21.768 3.904 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.185 2.604 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.249 4.161 7.086 1.00 0.00 H new ATOM 637 N ALA A 43 -14.577 2.207 2.861 1.00 0.00 N ATOM 638 CA ALA A 43 -13.331 1.456 2.549 1.00 0.00 C ATOM 639 C ALA A 43 -12.331 2.399 1.889 1.00 0.00 C ATOM 640 O ALA A 43 -11.176 2.081 1.758 1.00 0.00 O ATOM 641 CB ALA A 43 -13.648 0.303 1.593 1.00 0.00 C ATOM 0 H ALA A 43 -15.320 2.103 2.170 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.909 1.054 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.733 -0.244 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.367 -0.370 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.070 0.701 0.670 1.00 0.00 H new ATOM 647 N THR A 44 -12.767 3.559 1.472 1.00 0.00 N ATOM 648 CA THR A 44 -11.820 4.523 0.830 1.00 0.00 C ATOM 649 C THR A 44 -10.620 4.740 1.759 1.00 0.00 C ATOM 650 O THR A 44 -9.485 4.764 1.325 1.00 0.00 O ATOM 651 CB THR A 44 -12.547 5.854 0.568 1.00 0.00 C ATOM 652 OG1 THR A 44 -11.896 6.542 -0.490 1.00 0.00 O ATOM 653 CG2 THR A 44 -12.539 6.725 1.829 1.00 0.00 C ATOM 0 H THR A 44 -13.732 3.881 1.547 1.00 0.00 H new ATOM 0 HA THR A 44 -11.465 4.125 -0.121 1.00 0.00 H new ATOM 0 HB THR A 44 -13.581 5.646 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.357 7.390 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.057 7.663 1.627 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.045 6.198 2.638 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.510 6.935 2.120 1.00 0.00 H new ATOM 661 N SER A 45 -10.861 4.882 3.035 1.00 0.00 N ATOM 662 CA SER A 45 -9.732 5.078 3.992 1.00 0.00 C ATOM 663 C SER A 45 -9.010 3.745 4.175 1.00 0.00 C ATOM 664 O SER A 45 -7.846 3.702 4.512 1.00 0.00 O ATOM 665 CB SER A 45 -10.278 5.552 5.339 1.00 0.00 C ATOM 666 OG SER A 45 -11.270 4.640 5.789 1.00 0.00 O ATOM 0 H SER A 45 -11.790 4.871 3.456 1.00 0.00 H new ATOM 0 HA SER A 45 -9.041 5.827 3.604 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.471 5.619 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.703 6.551 5.241 1.00 0.00 H new ATOM 0 HG SER A 45 -11.622 4.939 6.653 1.00 0.00 H new ATOM 672 N GLU A 46 -9.693 2.655 3.943 1.00 0.00 N ATOM 673 CA GLU A 46 -9.041 1.323 4.083 1.00 0.00 C ATOM 674 C GLU A 46 -8.236 1.037 2.816 1.00 0.00 C ATOM 675 O GLU A 46 -7.334 0.227 2.811 1.00 0.00 O ATOM 676 CB GLU A 46 -10.100 0.245 4.266 1.00 0.00 C ATOM 677 CG GLU A 46 -11.027 0.619 5.424 1.00 0.00 C ATOM 678 CD GLU A 46 -10.400 0.171 6.747 1.00 0.00 C ATOM 679 OE1 GLU A 46 -9.999 -0.978 6.831 1.00 0.00 O ATOM 680 OE2 GLU A 46 -10.334 0.985 7.654 1.00 0.00 O ATOM 0 H GLU A 46 -10.673 2.631 3.663 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.384 1.324 4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.677 0.130 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.624 -0.715 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.195 1.696 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.000 0.146 5.292 1.00 0.00 H new ATOM 687 N ALA A 47 -8.553 1.719 1.748 1.00 0.00 N ATOM 688 CA ALA A 47 -7.809 1.530 0.474 1.00 0.00 C ATOM 689 C ALA A 47 -6.555 2.383 0.551 1.00 0.00 C ATOM 690 O ALA A 47 -5.483 1.996 0.136 1.00 0.00 O ATOM 691 CB ALA A 47 -8.673 1.998 -0.699 1.00 0.00 C ATOM 0 H ALA A 47 -9.305 2.407 1.706 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.557 0.480 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.126 1.859 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.594 1.416 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.915 3.053 -0.574 1.00 0.00 H new ATOM 697 N TYR A 48 -6.708 3.552 1.098 1.00 0.00 N ATOM 698 CA TYR A 48 -5.573 4.481 1.248 1.00 0.00 C ATOM 699 C TYR A 48 -4.691 3.957 2.378 1.00 0.00 C ATOM 700 O TYR A 48 -3.482 4.073 2.355 1.00 0.00 O ATOM 701 CB TYR A 48 -6.135 5.852 1.596 1.00 0.00 C ATOM 702 CG TYR A 48 -5.417 6.916 0.808 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.021 6.895 0.685 1.00 0.00 C ATOM 704 CD2 TYR A 48 -6.162 7.930 0.195 1.00 0.00 C ATOM 705 CE1 TYR A 48 -3.372 7.892 -0.052 1.00 0.00 C ATOM 706 CE2 TYR A 48 -5.512 8.927 -0.541 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.117 8.909 -0.664 1.00 0.00 C ATOM 708 OH TYR A 48 -3.475 9.891 -1.389 1.00 0.00 O ATOM 0 H TYR A 48 -7.596 3.906 1.454 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.982 4.557 0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.202 5.883 1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.023 6.040 2.664 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.448 6.111 1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.238 7.943 0.290 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.296 7.878 -0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.086 9.710 -1.014 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.137 10.518 -1.748 1.00 0.00 H new ATOM 718 N ALA A 49 -5.302 3.329 3.342 1.00 0.00 N ATOM 719 CA ALA A 49 -4.528 2.732 4.462 1.00 0.00 C ATOM 720 C ALA A 49 -3.849 1.493 3.895 1.00 0.00 C ATOM 721 O ALA A 49 -2.702 1.205 4.172 1.00 0.00 O ATOM 722 CB ALA A 49 -5.469 2.339 5.603 1.00 0.00 C ATOM 0 H ALA A 49 -6.312 3.203 3.402 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.801 3.438 4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.891 1.903 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.993 3.224 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.194 1.610 5.242 1.00 0.00 H new ATOM 728 N TYR A 50 -4.551 0.798 3.042 1.00 0.00 N ATOM 729 CA TYR A 50 -3.963 -0.385 2.369 1.00 0.00 C ATOM 730 C TYR A 50 -2.804 0.150 1.540 1.00 0.00 C ATOM 731 O TYR A 50 -1.798 -0.499 1.327 1.00 0.00 O ATOM 732 CB TYR A 50 -5.023 -1.009 1.456 1.00 0.00 C ATOM 733 CG TYR A 50 -4.601 -2.386 1.013 1.00 0.00 C ATOM 734 CD1 TYR A 50 -4.963 -3.503 1.772 1.00 0.00 C ATOM 735 CD2 TYR A 50 -3.868 -2.547 -0.166 1.00 0.00 C ATOM 736 CE1 TYR A 50 -4.588 -4.783 1.352 1.00 0.00 C ATOM 737 CE2 TYR A 50 -3.494 -3.827 -0.587 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.854 -4.946 0.172 1.00 0.00 C ATOM 739 OH TYR A 50 -3.485 -6.209 -0.242 1.00 0.00 O ATOM 0 H TYR A 50 -5.516 1.005 2.783 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.627 -1.146 3.073 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.975 -1.067 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.179 -0.373 0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.532 -3.377 2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.590 -1.683 -0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.865 -5.646 1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.927 -3.952 -1.498 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.982 -6.144 -1.080 1.00 0.00 H new ATOM 749 N ALA A 51 -2.961 1.365 1.093 1.00 0.00 N ATOM 750 CA ALA A 51 -1.914 2.041 0.289 1.00 0.00 C ATOM 751 C ALA A 51 -0.768 2.479 1.206 1.00 0.00 C ATOM 752 O ALA A 51 0.362 2.614 0.783 1.00 0.00 O ATOM 753 CB ALA A 51 -2.536 3.280 -0.367 1.00 0.00 C ATOM 0 H ALA A 51 -3.795 1.929 1.258 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.527 1.362 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.782 3.793 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.362 2.975 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.907 3.953 0.406 1.00 0.00 H new ATOM 759 N ASP A 52 -1.053 2.713 2.460 1.00 0.00 N ATOM 760 CA ASP A 52 0.021 3.152 3.398 1.00 0.00 C ATOM 761 C ASP A 52 0.627 1.936 4.104 1.00 0.00 C ATOM 762 O ASP A 52 1.639 2.033 4.767 1.00 0.00 O ATOM 763 CB ASP A 52 -0.570 4.107 4.440 1.00 0.00 C ATOM 764 CG ASP A 52 0.470 5.165 4.815 1.00 0.00 C ATOM 765 OD1 ASP A 52 0.539 6.171 4.128 1.00 0.00 O ATOM 766 OD2 ASP A 52 1.178 4.953 5.786 1.00 0.00 O ATOM 0 H ASP A 52 -1.980 2.619 2.874 1.00 0.00 H new ATOM 0 HA ASP A 52 0.801 3.663 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.464 4.587 4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.874 3.551 5.327 1.00 0.00 H new ATOM 771 N THR A 53 0.019 0.790 3.966 1.00 0.00 N ATOM 772 CA THR A 53 0.566 -0.428 4.628 1.00 0.00 C ATOM 773 C THR A 53 1.726 -0.976 3.795 1.00 0.00 C ATOM 774 O THR A 53 2.595 -1.664 4.294 1.00 0.00 O ATOM 775 CB THR A 53 -0.531 -1.488 4.732 1.00 0.00 C ATOM 776 OG1 THR A 53 -1.765 -0.932 4.297 1.00 0.00 O ATOM 777 CG2 THR A 53 -0.661 -1.952 6.182 1.00 0.00 C ATOM 0 H THR A 53 -0.833 0.644 3.424 1.00 0.00 H new ATOM 0 HA THR A 53 0.920 -0.174 5.627 1.00 0.00 H new ATOM 0 HB THR A 53 -0.274 -2.341 4.104 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.915 -0.075 4.748 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.443 -2.707 6.254 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.286 -2.378 6.514 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.918 -1.102 6.814 1.00 0.00 H new ATOM 785 N LEU A 54 1.746 -0.669 2.529 1.00 0.00 N ATOM 786 CA LEU A 54 2.845 -1.161 1.655 1.00 0.00 C ATOM 787 C LEU A 54 4.167 -0.539 2.112 1.00 0.00 C ATOM 788 O LEU A 54 4.959 -1.173 2.779 1.00 0.00 O ATOM 789 CB LEU A 54 2.552 -0.747 0.210 1.00 0.00 C ATOM 790 CG LEU A 54 2.656 -1.961 -0.715 1.00 0.00 C ATOM 791 CD1 LEU A 54 1.839 -3.119 -0.145 1.00 0.00 C ATOM 792 CD2 LEU A 54 2.107 -1.589 -2.093 1.00 0.00 C ATOM 0 H LEU A 54 1.045 -0.096 2.060 1.00 0.00 H new ATOM 0 HA LEU A 54 2.917 -2.247 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.554 -0.313 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.256 0.022 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 54 3.700 -2.264 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.917 -3.980 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.222 -3.384 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.794 -2.820 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.178 -2.450 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.064 -1.288 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.687 -0.764 -2.505 1.00 0.00 H new ATOM 804 N LYS A 55 4.389 0.704 1.766 1.00 0.00 N ATOM 805 CA LYS A 55 5.644 1.412 2.173 1.00 0.00 C ATOM 806 C LYS A 55 6.823 0.437 2.277 1.00 0.00 C ATOM 807 O LYS A 55 7.687 0.590 3.116 1.00 0.00 O ATOM 808 CB LYS A 55 5.416 2.077 3.528 1.00 0.00 C ATOM 809 CG LYS A 55 4.231 3.036 3.422 1.00 0.00 C ATOM 810 CD LYS A 55 4.170 3.904 4.676 1.00 0.00 C ATOM 811 CE LYS A 55 3.437 5.207 4.359 1.00 0.00 C ATOM 812 NZ LYS A 55 4.344 6.114 3.601 1.00 0.00 N ATOM 0 H LYS A 55 3.745 1.267 1.211 1.00 0.00 H new ATOM 0 HA LYS A 55 5.886 2.158 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.221 1.322 4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.311 2.618 3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.334 3.663 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.303 2.475 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.656 3.371 5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.178 4.119 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.541 5.000 3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.112 5.688 5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.627 6.909 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.190 5.588 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.849 6.478 2.762 1.00 0.00 H new ATOM 826 N LYS A 56 6.873 -0.557 1.432 1.00 0.00 N ATOM 827 CA LYS A 56 8.006 -1.525 1.499 1.00 0.00 C ATOM 828 C LYS A 56 9.276 -0.845 0.984 1.00 0.00 C ATOM 829 O LYS A 56 10.163 -0.506 1.741 1.00 0.00 O ATOM 830 CB LYS A 56 7.690 -2.746 0.631 1.00 0.00 C ATOM 831 CG LYS A 56 6.939 -3.786 1.467 1.00 0.00 C ATOM 832 CD LYS A 56 7.939 -4.763 2.088 1.00 0.00 C ATOM 833 CE LYS A 56 7.313 -5.422 3.318 1.00 0.00 C ATOM 834 NZ LYS A 56 8.390 -5.921 4.219 1.00 0.00 N ATOM 0 H LYS A 56 6.184 -0.740 0.703 1.00 0.00 H new ATOM 0 HA LYS A 56 8.154 -1.847 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.087 -2.449 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.612 -3.176 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.364 -3.292 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.228 -4.326 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.221 -5.523 1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.851 -4.237 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.685 -4.705 3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.669 -6.247 3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.963 -6.369 5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.972 -6.618 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.988 -5.125 4.520 1.00 0.00 H new ATOM 848 N ASP A 57 9.362 -0.638 -0.300 1.00 0.00 N ATOM 849 CA ASP A 57 10.561 0.025 -0.878 1.00 0.00 C ATOM 850 C ASP A 57 10.136 0.818 -2.113 1.00 0.00 C ATOM 851 O ASP A 57 10.882 0.967 -3.059 1.00 0.00 O ATOM 852 CB ASP A 57 11.581 -1.037 -1.279 1.00 0.00 C ATOM 853 CG ASP A 57 10.921 -2.054 -2.210 1.00 0.00 C ATOM 854 OD1 ASP A 57 10.876 -1.796 -3.402 1.00 0.00 O ATOM 855 OD2 ASP A 57 10.471 -3.074 -1.716 1.00 0.00 O ATOM 0 H ASP A 57 8.647 -0.902 -0.978 1.00 0.00 H new ATOM 0 HA ASP A 57 11.009 0.695 -0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.431 -0.570 -1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.968 -1.538 -0.392 1.00 0.00 H new ATOM 860 N ASN A 58 8.931 1.316 -2.111 1.00 0.00 N ATOM 861 CA ASN A 58 8.436 2.089 -3.281 1.00 0.00 C ATOM 862 C ASN A 58 8.694 3.584 -3.063 1.00 0.00 C ATOM 863 O ASN A 58 9.419 4.210 -3.812 1.00 0.00 O ATOM 864 CB ASN A 58 6.941 1.836 -3.461 1.00 0.00 C ATOM 865 CG ASN A 58 6.558 0.486 -2.844 1.00 0.00 C ATOM 866 OD1 ASN A 58 6.919 -0.554 -3.357 1.00 0.00 O ATOM 867 ND2 ASN A 58 5.837 0.461 -1.756 1.00 0.00 N ATOM 0 H ASN A 58 8.265 1.219 -1.344 1.00 0.00 H new ATOM 0 HA ASN A 58 8.965 1.768 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.369 2.635 -2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.688 1.845 -4.521 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.577 -0.432 -1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.534 1.334 -1.325 1.00 0.00 H new ATOM 874 N GLY A 59 8.118 4.165 -2.044 1.00 0.00 N ATOM 875 CA GLY A 59 8.352 5.618 -1.791 1.00 0.00 C ATOM 876 C GLY A 59 7.026 6.347 -1.546 1.00 0.00 C ATOM 877 O GLY A 59 6.979 7.559 -1.507 1.00 0.00 O ATOM 0 H GLY A 59 7.499 3.700 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.005 5.741 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.865 6.063 -2.644 1.00 0.00 H new ATOM 881 N GLU A 60 5.955 5.620 -1.384 1.00 0.00 N ATOM 882 CA GLU A 60 4.630 6.268 -1.143 1.00 0.00 C ATOM 883 C GLU A 60 4.058 6.764 -2.471 1.00 0.00 C ATOM 884 O GLU A 60 4.785 7.027 -3.408 1.00 0.00 O ATOM 885 CB GLU A 60 4.786 7.458 -0.187 1.00 0.00 C ATOM 886 CG GLU A 60 5.711 7.083 0.974 1.00 0.00 C ATOM 887 CD GLU A 60 5.550 8.105 2.101 1.00 0.00 C ATOM 888 OE1 GLU A 60 4.865 9.091 1.886 1.00 0.00 O ATOM 889 OE2 GLU A 60 6.115 7.885 3.159 1.00 0.00 O ATOM 0 H GLU A 60 5.938 4.600 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 60 3.956 5.537 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.193 8.315 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.810 7.756 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.471 6.084 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.747 7.059 0.635 1.00 0.00 H new ATOM 896 N TYR A 61 2.762 6.906 -2.563 1.00 0.00 N ATOM 897 CA TYR A 61 2.169 7.401 -3.838 1.00 0.00 C ATOM 898 C TYR A 61 0.900 8.207 -3.582 1.00 0.00 C ATOM 899 O TYR A 61 0.523 8.472 -2.457 1.00 0.00 O ATOM 900 CB TYR A 61 1.825 6.246 -4.773 1.00 0.00 C ATOM 901 CG TYR A 61 1.064 5.145 -4.072 1.00 0.00 C ATOM 902 CD1 TYR A 61 0.453 5.345 -2.822 1.00 0.00 C ATOM 903 CD2 TYR A 61 0.962 3.907 -4.708 1.00 0.00 C ATOM 904 CE1 TYR A 61 -0.254 4.293 -2.215 1.00 0.00 C ATOM 905 CE2 TYR A 61 0.259 2.866 -4.111 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.347 3.050 -2.869 1.00 0.00 C ATOM 907 OH TYR A 61 -1.032 2.007 -2.292 1.00 0.00 O ATOM 0 H TYR A 61 2.095 6.703 -1.818 1.00 0.00 H new ATOM 0 HA TYR A 61 2.920 8.039 -4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.231 6.621 -5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.743 5.838 -5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.527 6.304 -2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.431 3.756 -5.669 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.723 4.437 -1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.182 1.912 -4.611 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.449 1.462 -2.992 1.00 0.00 H new ATOM 917 N THR A 62 0.238 8.586 -4.639 1.00 0.00 N ATOM 918 CA THR A 62 -1.018 9.368 -4.515 1.00 0.00 C ATOM 919 C THR A 62 -2.180 8.508 -5.018 1.00 0.00 C ATOM 920 O THR A 62 -2.006 7.648 -5.857 1.00 0.00 O ATOM 921 CB THR A 62 -0.904 10.623 -5.378 1.00 0.00 C ATOM 922 OG1 THR A 62 0.231 11.375 -4.971 1.00 0.00 O ATOM 923 CG2 THR A 62 -2.165 11.474 -5.225 1.00 0.00 C ATOM 0 H THR A 62 0.521 8.382 -5.598 1.00 0.00 H new ATOM 0 HA THR A 62 -1.190 9.652 -3.477 1.00 0.00 H new ATOM 0 HB THR A 62 -0.793 10.333 -6.423 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.306 12.180 -5.525 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.078 12.368 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.034 10.897 -5.542 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.283 11.765 -4.181 1.00 0.00 H new ATOM 931 N VAL A 63 -3.363 8.732 -4.518 1.00 0.00 N ATOM 932 CA VAL A 63 -4.527 7.921 -4.975 1.00 0.00 C ATOM 933 C VAL A 63 -5.179 8.601 -6.183 1.00 0.00 C ATOM 934 O VAL A 63 -5.271 9.811 -6.252 1.00 0.00 O ATOM 935 CB VAL A 63 -5.533 7.798 -3.824 1.00 0.00 C ATOM 936 CG1 VAL A 63 -6.936 7.499 -4.366 1.00 0.00 C ATOM 937 CG2 VAL A 63 -5.100 6.659 -2.897 1.00 0.00 C ATOM 0 H VAL A 63 -3.575 9.440 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.197 6.925 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.559 8.740 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.637 7.415 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.251 8.307 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.919 6.562 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.812 6.567 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.070 5.725 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.109 6.873 -2.496 1.00 0.00 H new ATOM 947 N ASP A 64 -5.640 7.830 -7.130 1.00 0.00 N ATOM 948 CA ASP A 64 -6.294 8.421 -8.320 1.00 0.00 C ATOM 949 C ASP A 64 -7.788 8.516 -8.055 1.00 0.00 C ATOM 950 O ASP A 64 -8.275 8.123 -7.013 1.00 0.00 O ATOM 951 CB ASP A 64 -6.053 7.531 -9.543 1.00 0.00 C ATOM 952 CG ASP A 64 -4.810 8.016 -10.291 1.00 0.00 C ATOM 953 OD1 ASP A 64 -4.035 8.751 -9.700 1.00 0.00 O ATOM 954 OD2 ASP A 64 -4.653 7.645 -11.442 1.00 0.00 O ATOM 0 H ASP A 64 -5.589 6.811 -7.126 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.880 9.411 -8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.922 6.495 -9.231 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.921 7.558 -10.202 1.00 0.00 H new ATOM 959 N VAL A 65 -8.514 9.037 -8.988 1.00 0.00 N ATOM 960 CA VAL A 65 -9.982 9.167 -8.800 1.00 0.00 C ATOM 961 C VAL A 65 -10.705 8.782 -10.092 1.00 0.00 C ATOM 962 O VAL A 65 -10.717 9.523 -11.055 1.00 0.00 O ATOM 963 CB VAL A 65 -10.311 10.613 -8.437 1.00 0.00 C ATOM 964 CG1 VAL A 65 -11.791 10.725 -8.068 1.00 0.00 C ATOM 965 CG2 VAL A 65 -9.453 11.042 -7.242 1.00 0.00 C ATOM 0 H VAL A 65 -8.158 9.382 -9.879 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.309 8.503 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.102 11.259 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.024 11.758 -7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.402 10.417 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.003 10.080 -7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.685 12.074 -6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.665 10.395 -6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.398 10.963 -7.504 1.00 0.00 H new ATOM 975 N ALA A 66 -11.310 7.626 -10.119 1.00 0.00 N ATOM 976 CA ALA A 66 -12.032 7.190 -11.348 1.00 0.00 C ATOM 977 C ALA A 66 -13.146 6.213 -10.964 1.00 0.00 C ATOM 978 O ALA A 66 -13.020 5.451 -10.026 1.00 0.00 O ATOM 979 CB ALA A 66 -11.050 6.496 -12.293 1.00 0.00 C ATOM 0 H ALA A 66 -11.336 6.964 -9.343 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.465 8.058 -11.845 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.575 6.176 -13.193 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.254 7.190 -12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.619 5.627 -11.796 1.00 0.00 H new ATOM 985 N ASP A 67 -14.235 6.228 -11.682 1.00 0.00 N ATOM 986 CA ASP A 67 -15.351 5.300 -11.353 1.00 0.00 C ATOM 987 C ASP A 67 -16.049 5.771 -10.077 1.00 0.00 C ATOM 988 O ASP A 67 -16.553 4.980 -9.306 1.00 0.00 O ATOM 989 CB ASP A 67 -14.799 3.900 -11.141 1.00 0.00 C ATOM 990 CG ASP A 67 -15.769 2.872 -11.726 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.964 3.099 -11.642 1.00 0.00 O ATOM 992 OD2 ASP A 67 -15.299 1.874 -12.247 1.00 0.00 O ATOM 0 H ASP A 67 -14.399 6.841 -12.480 1.00 0.00 H new ATOM 0 HA ASP A 67 -16.067 5.289 -12.175 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.823 3.807 -11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.653 3.713 -10.077 1.00 0.00 H new ATOM 997 N LYS A 68 -16.079 7.057 -9.843 1.00 0.00 N ATOM 998 CA LYS A 68 -16.739 7.568 -8.609 1.00 0.00 C ATOM 999 C LYS A 68 -15.863 7.233 -7.405 1.00 0.00 C ATOM 1000 O LYS A 68 -16.342 6.785 -6.384 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.104 6.891 -8.442 1.00 0.00 C ATOM 1002 CG LYS A 68 -19.033 7.792 -7.623 1.00 0.00 C ATOM 1003 CD LYS A 68 -18.858 7.489 -6.132 1.00 0.00 C ATOM 1004 CE LYS A 68 -17.977 8.563 -5.491 1.00 0.00 C ATOM 1005 NZ LYS A 68 -18.748 9.834 -5.372 1.00 0.00 N ATOM 0 H LYS A 68 -15.677 7.771 -10.450 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.875 8.647 -8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.544 6.692 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.984 5.928 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.807 8.840 -7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -20.069 7.628 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -19.830 7.460 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -18.405 6.506 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.643 8.235 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.083 8.723 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.333 10.423 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.712 10.348 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.738 9.619 -5.136 1.00 0.00 H new ATOM 1019 N GLY A 69 -14.576 7.427 -7.516 1.00 0.00 N ATOM 1020 CA GLY A 69 -13.683 7.094 -6.372 1.00 0.00 C ATOM 1021 C GLY A 69 -14.063 5.709 -5.848 1.00 0.00 C ATOM 1022 O GLY A 69 -13.845 5.385 -4.698 1.00 0.00 O ATOM 0 H GLY A 69 -14.109 7.799 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.640 7.106 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.785 7.839 -5.583 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.640 4.896 -6.691 1.00 0.00 N ATOM 1027 CA TYR A 70 -15.052 3.536 -6.268 1.00 0.00 C ATOM 1028 C TYR A 70 -13.926 2.556 -6.599 1.00 0.00 C ATOM 1029 O TYR A 70 -13.795 1.510 -5.994 1.00 0.00 O ATOM 1030 CB TYR A 70 -16.311 3.145 -7.030 1.00 0.00 C ATOM 1031 CG TYR A 70 -17.296 2.464 -6.106 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -18.185 3.235 -5.343 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -17.334 1.067 -6.026 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -19.111 2.609 -4.506 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -18.258 0.440 -5.178 1.00 0.00 C ATOM 1036 CZ TYR A 70 -19.147 1.212 -4.421 1.00 0.00 C ATOM 1037 OH TYR A 70 -20.066 0.595 -3.595 1.00 0.00 O ATOM 0 H TYR A 70 -14.844 5.123 -7.664 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.252 3.515 -5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.768 4.032 -7.469 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -16.053 2.478 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -18.153 4.313 -5.403 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.652 0.473 -6.617 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -19.800 3.203 -3.924 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -18.284 -0.637 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 70 -20.590 1.275 -3.123 1.00 0.00 H new ATOM 1047 N THR A 71 -13.109 2.895 -7.559 1.00 0.00 N ATOM 1048 CA THR A 71 -11.981 2.002 -7.941 1.00 0.00 C ATOM 1049 C THR A 71 -10.728 2.849 -8.164 1.00 0.00 C ATOM 1050 O THR A 71 -10.151 2.867 -9.233 1.00 0.00 O ATOM 1051 CB THR A 71 -12.333 1.252 -9.227 1.00 0.00 C ATOM 1052 OG1 THR A 71 -13.678 0.802 -9.155 1.00 0.00 O ATOM 1053 CG2 THR A 71 -11.398 0.054 -9.391 1.00 0.00 C ATOM 0 H THR A 71 -13.176 3.758 -8.098 1.00 0.00 H new ATOM 0 HA THR A 71 -11.798 1.279 -7.146 1.00 0.00 H new ATOM 0 HB THR A 71 -12.218 1.918 -10.082 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.907 0.322 -9.978 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.649 -0.480 -10.307 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.367 0.402 -9.445 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.511 -0.615 -8.538 1.00 0.00 H new ATOM 1061 N LEU A 72 -10.315 3.562 -7.153 1.00 0.00 N ATOM 1062 CA LEU A 72 -9.112 4.433 -7.274 1.00 0.00 C ATOM 1063 C LEU A 72 -7.876 3.610 -7.665 1.00 0.00 C ATOM 1064 O LEU A 72 -7.701 2.485 -7.242 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.856 5.111 -5.927 1.00 0.00 C ATOM 1066 CG LEU A 72 -8.973 4.078 -4.805 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -7.586 3.794 -4.228 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -9.882 4.623 -3.700 1.00 0.00 C ATOM 0 H LEU A 72 -10.765 3.578 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.293 5.176 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.864 5.563 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.574 5.916 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.398 3.157 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.668 3.058 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.938 3.405 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.162 4.716 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.965 3.886 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.458 5.545 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.871 4.826 -4.110 1.00 0.00 H new ATOM 1080 N ASN A 73 -7.011 4.188 -8.457 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.762 3.484 -8.877 1.00 0.00 C ATOM 1082 C ASN A 73 -4.571 4.216 -8.257 1.00 0.00 C ATOM 1083 O ASN A 73 -4.569 5.421 -8.145 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.648 3.513 -10.394 1.00 0.00 C ATOM 1085 CG ASN A 73 -6.754 2.654 -11.023 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -6.887 2.611 -12.229 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -7.559 1.962 -10.257 1.00 0.00 N ATOM 0 H ASN A 73 -7.118 5.129 -8.835 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.781 2.446 -8.544 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.726 4.539 -10.753 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.670 3.142 -10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.294 1.390 -10.674 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.452 1.995 -9.243 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.570 3.514 -7.820 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.429 4.215 -7.183 1.00 0.00 C ATOM 1096 C ILE A 74 -1.114 3.874 -7.898 1.00 0.00 C ATOM 1097 O ILE A 74 -1.011 2.880 -8.588 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.362 3.812 -5.717 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.771 3.529 -5.174 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.771 4.966 -4.932 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -3.664 2.706 -3.890 1.00 0.00 C ATOM 0 H ILE A 74 -3.492 2.498 -7.875 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.576 5.292 -7.259 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.753 2.914 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.292 4.466 -4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.358 2.989 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.714 4.697 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.771 5.185 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.403 5.847 -5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.663 2.504 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.160 1.763 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.093 3.263 -3.147 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.111 4.711 -7.753 1.00 0.00 N ATOM 1114 CA LYS A 75 1.192 4.453 -8.442 1.00 0.00 C ATOM 1115 C LYS A 75 2.368 4.938 -7.579 1.00 0.00 C ATOM 1116 O LYS A 75 2.513 6.117 -7.324 1.00 0.00 O ATOM 1117 CB LYS A 75 1.212 5.227 -9.762 1.00 0.00 C ATOM 1118 CG LYS A 75 1.487 4.275 -10.928 1.00 0.00 C ATOM 1119 CD LYS A 75 0.206 4.093 -11.745 1.00 0.00 C ATOM 1120 CE LYS A 75 -0.148 5.410 -12.442 1.00 0.00 C ATOM 1121 NZ LYS A 75 0.294 5.358 -13.864 1.00 0.00 N ATOM 0 H LYS A 75 -0.141 5.560 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 75 1.292 3.381 -8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.257 5.730 -9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.978 6.001 -9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.281 4.674 -11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.832 3.312 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.343 3.304 -12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.612 3.782 -11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.223 5.583 -12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.333 6.244 -11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.053 6.253 -14.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.323 5.213 -13.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.185 4.572 -14.348 1.00 0.00 H new ATOM 1135 N PHE A 76 3.222 4.045 -7.146 1.00 0.00 N ATOM 1136 CA PHE A 76 4.398 4.470 -6.323 1.00 0.00 C ATOM 1137 C PHE A 76 5.415 5.179 -7.215 1.00 0.00 C ATOM 1138 O PHE A 76 5.665 4.781 -8.336 1.00 0.00 O ATOM 1139 CB PHE A 76 5.040 3.246 -5.675 1.00 0.00 C ATOM 1140 CG PHE A 76 4.171 2.796 -4.528 1.00 0.00 C ATOM 1141 CD1 PHE A 76 4.048 3.600 -3.388 1.00 0.00 C ATOM 1142 CD2 PHE A 76 3.479 1.583 -4.608 1.00 0.00 C ATOM 1143 CE1 PHE A 76 3.230 3.189 -2.328 1.00 0.00 C ATOM 1144 CE2 PHE A 76 2.665 1.172 -3.548 1.00 0.00 C ATOM 1145 CZ PHE A 76 2.539 1.975 -2.407 1.00 0.00 C ATOM 0 H PHE A 76 3.157 3.043 -7.325 1.00 0.00 H new ATOM 0 HA PHE A 76 4.067 5.154 -5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.147 2.444 -6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.041 3.488 -5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.583 4.536 -3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.573 0.964 -5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.133 3.809 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.133 0.234 -3.609 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.909 1.657 -1.589 1.00 0.00 H new ATOM 1155 N ALA A 77 5.991 6.236 -6.721 1.00 0.00 N ATOM 1156 CA ALA A 77 6.986 6.997 -7.525 1.00 0.00 C ATOM 1157 C ALA A 77 8.346 6.298 -7.460 1.00 0.00 C ATOM 1158 O ALA A 77 8.610 5.368 -8.197 1.00 0.00 O ATOM 1159 CB ALA A 77 7.104 8.415 -6.964 1.00 0.00 C ATOM 0 H ALA A 77 5.815 6.609 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 77 6.661 7.042 -8.564 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.832 8.978 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.134 8.910 -7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.431 8.369 -5.925 1.00 0.00 H new ATOM 1165 N GLY A 78 9.215 6.736 -6.588 1.00 0.00 N ATOM 1166 CA GLY A 78 10.555 6.092 -6.486 1.00 0.00 C ATOM 1167 C GLY A 78 11.539 6.809 -7.412 1.00 0.00 C ATOM 1168 O GLY A 78 12.328 7.595 -6.913 1.00 0.00 O ATOM 1169 OXT GLY A 78 11.487 6.562 -8.606 1.00 0.00 O ATOM 0 H GLY A 78 9.054 7.510 -5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.912 6.133 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.485 5.039 -6.758 1.00 0.00 H new