USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 120:sc= 1.15 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0.917 USER MOD Set 2.1: A 76 GLN : amide:sc= 0.951 K(o=1.6,f=-3.7) USER MOD Set 2.2: A 82 HIS : no HE2:sc= 0.686 K(o=1.6,f=-6.6!) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -122:sc= 0.531 (180deg=-0.0204) USER MOD Set 3.2: A 42 THR OG1 : rot -87:sc= 1.24 USER MOD Set 4.1: A 25 MET CE :methyl -170:sc= 0 (180deg=-0.0844) USER MOD Set 4.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0672 USER MOD Single : A 44 SER OG : rot 180:sc= -0.184 USER MOD Single : A 45 THR OG1 : rot 13:sc= 0.694 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 49 MET CE :methyl -165:sc= -0.0291 (180deg=-0.33) USER MOD Single : A 50 SER OG : rot 148:sc= 1.02 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -128:sc= -1.42 (180deg=-2.66!) USER MOD Single : A 74 SER OG : rot 45:sc= 0.239 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 79 ASN : amide:sc= -2.6! K(o=-2.6!,f=-0.16) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= -0.0402 (180deg=-0.398) USER MOD Single : A 88 TYR OH : rot -101:sc= 1.29 USER MOD Single : A 89 LYS NZ :NH3+ 131:sc= 0.667 (180deg=-0.721!) USER MOD Single : A 90 LYS NZ :NH3+ -117:sc= -1.76 (180deg=-2.8!) USER MOD Single : A 91 LYS NZ :NH3+ -178:sc= 1.49 (180deg=1.48) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.469 -6.834 3.294 1.00 0.00 N ATOM 329 CA ALA A 22 4.156 -5.707 2.669 1.00 0.00 C ATOM 330 C ALA A 22 4.264 -4.534 3.636 1.00 0.00 C ATOM 331 O ALA A 22 3.306 -3.776 3.823 1.00 0.00 O ATOM 332 CB ALA A 22 3.444 -5.283 1.395 1.00 0.00 C ATOM 0 HA ALA A 22 5.164 -6.029 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.972 -4.442 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.426 -6.117 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.422 -4.985 1.631 1.00 0.00 H new ATOM 338 N GLU A 23 5.430 -4.395 4.252 1.00 0.00 N ATOM 339 CA GLU A 23 5.641 -3.395 5.286 1.00 0.00 C ATOM 340 C GLU A 23 6.553 -2.261 4.820 1.00 0.00 C ATOM 341 O GLU A 23 7.388 -2.439 3.930 1.00 0.00 O ATOM 342 CB GLU A 23 6.247 -4.060 6.520 1.00 0.00 C ATOM 343 CG GLU A 23 5.290 -4.990 7.246 1.00 0.00 C ATOM 344 CD GLU A 23 4.129 -4.252 7.875 1.00 0.00 C ATOM 345 OE1 GLU A 23 4.318 -3.656 8.956 1.00 0.00 O ATOM 346 OE2 GLU A 23 3.022 -4.255 7.296 1.00 0.00 O ATOM 0 H GLU A 23 6.249 -4.968 4.050 1.00 0.00 H new ATOM 0 HA GLU A 23 4.671 -2.959 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.130 -4.624 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.582 -3.286 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.908 -5.732 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.833 -5.533 8.020 1.00 0.00 H new ATOM 353 N ILE A 24 6.371 -1.092 5.428 1.00 0.00 N ATOM 354 CA ILE A 24 7.250 0.052 5.213 1.00 0.00 C ATOM 355 C ILE A 24 8.331 0.081 6.299 1.00 0.00 C ATOM 356 O ILE A 24 8.020 -0.084 7.482 1.00 0.00 O ATOM 357 CB ILE A 24 6.458 1.383 5.281 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.432 1.477 4.146 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.402 2.581 5.244 1.00 0.00 C ATOM 360 CD1 ILE A 24 6.030 1.827 2.801 1.00 0.00 C ATOM 0 H ILE A 24 5.610 -0.912 6.083 1.00 0.00 H new ATOM 0 HA ILE A 24 7.698 -0.050 4.225 1.00 0.00 H new ATOM 0 HB ILE A 24 5.919 1.397 6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.910 0.524 4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.686 2.228 4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.822 3.503 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.082 2.535 6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.977 2.563 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.239 1.874 2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.527 2.795 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.755 1.065 2.516 1.00 0.00 H new ATOM 372 N MET A 25 9.586 0.291 5.911 1.00 0.00 N ATOM 373 CA MET A 25 10.671 0.381 6.885 1.00 0.00 C ATOM 374 C MET A 25 11.350 1.742 6.796 1.00 0.00 C ATOM 375 O MET A 25 11.237 2.435 5.783 1.00 0.00 O ATOM 376 CB MET A 25 11.708 -0.723 6.662 1.00 0.00 C ATOM 377 CG MET A 25 11.130 -2.130 6.670 1.00 0.00 C ATOM 378 SD MET A 25 10.391 -2.574 8.254 1.00 0.00 S ATOM 379 CE MET A 25 9.869 -4.255 7.916 1.00 0.00 C ATOM 0 H MET A 25 9.876 0.401 4.939 1.00 0.00 H new ATOM 0 HA MET A 25 10.238 0.255 7.877 1.00 0.00 H new ATOM 0 HB2 MET A 25 12.205 -0.552 5.707 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.471 -0.651 7.437 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.376 -2.213 5.887 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.919 -2.843 6.430 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.238 -4.611 8.731 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.306 -4.280 6.983 1.00 0.00 H new ATOM 0 HE3 MET A 25 10.745 -4.897 7.828 1.00 0.00 H new ATOM 389 N LYS A 26 12.042 2.124 7.864 1.00 0.00 N ATOM 390 CA LYS A 26 12.808 3.359 7.893 1.00 0.00 C ATOM 391 C LYS A 26 14.095 3.177 7.114 1.00 0.00 C ATOM 392 O LYS A 26 14.720 2.138 7.212 1.00 0.00 O ATOM 393 CB LYS A 26 13.111 3.714 9.340 1.00 0.00 C ATOM 394 CG LYS A 26 11.853 3.889 10.167 1.00 0.00 C ATOM 395 CD LYS A 26 12.166 4.193 11.620 1.00 0.00 C ATOM 396 CE LYS A 26 10.898 4.241 12.455 1.00 0.00 C ATOM 397 NZ LYS A 26 11.187 4.352 13.909 1.00 0.00 N ATOM 0 H LYS A 26 12.086 1.587 8.730 1.00 0.00 H new ATOM 0 HA LYS A 26 12.236 4.166 7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.727 2.931 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.694 4.634 9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.253 4.697 9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.251 2.982 10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.838 3.432 12.017 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.688 5.147 11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.290 5.090 12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.309 3.342 12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.293 4.382 14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.745 3.530 14.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.726 5.223 14.090 1.00 0.00 H new ATOM 411 N LYS A 27 14.500 4.194 6.369 1.00 0.00 N ATOM 412 CA LYS A 27 15.611 4.064 5.429 1.00 0.00 C ATOM 413 C LYS A 27 16.888 3.593 6.122 1.00 0.00 C ATOM 414 O LYS A 27 17.683 2.861 5.536 1.00 0.00 O ATOM 415 CB LYS A 27 15.861 5.395 4.716 1.00 0.00 C ATOM 416 CG LYS A 27 16.912 5.317 3.620 1.00 0.00 C ATOM 417 CD LYS A 27 17.081 6.652 2.920 1.00 0.00 C ATOM 418 CE LYS A 27 18.115 6.574 1.809 1.00 0.00 C ATOM 419 NZ LYS A 27 18.243 7.865 1.086 1.00 0.00 N ATOM 0 H LYS A 27 14.077 5.122 6.395 1.00 0.00 H new ATOM 0 HA LYS A 27 15.333 3.308 4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.924 5.746 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.171 6.138 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.865 5.006 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.626 4.557 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.124 6.970 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.382 7.408 3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.081 6.295 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.835 5.789 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.957 7.773 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.327 8.118 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.534 8.609 1.752 1.00 0.00 H new ATOM 433 N THR A 28 17.069 3.999 7.369 1.00 0.00 N ATOM 434 CA THR A 28 18.250 3.629 8.127 1.00 0.00 C ATOM 435 C THR A 28 18.272 2.141 8.457 1.00 0.00 C ATOM 436 O THR A 28 19.272 1.463 8.200 1.00 0.00 O ATOM 437 CB THR A 28 18.348 4.467 9.416 1.00 0.00 C ATOM 438 OG1 THR A 28 17.035 4.918 9.798 1.00 0.00 O ATOM 439 CG2 THR A 28 19.268 5.663 9.218 1.00 0.00 C ATOM 0 H THR A 28 16.409 4.587 7.878 1.00 0.00 H new ATOM 0 HA THR A 28 19.117 3.838 7.501 1.00 0.00 H new ATOM 0 HB THR A 28 18.766 3.842 10.206 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.098 5.450 10.619 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.320 6.239 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.266 5.314 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.878 6.294 8.419 1.00 0.00 H new ATOM 447 N ASP A 29 17.180 1.619 9.000 1.00 0.00 N ATOM 448 CA ASP A 29 17.135 0.195 9.315 1.00 0.00 C ATOM 449 C ASP A 29 16.902 -0.589 8.042 1.00 0.00 C ATOM 450 O ASP A 29 17.411 -1.691 7.891 1.00 0.00 O ATOM 451 CB ASP A 29 16.064 -0.136 10.366 1.00 0.00 C ATOM 452 CG ASP A 29 14.655 -0.206 9.812 1.00 0.00 C ATOM 453 OD1 ASP A 29 13.978 0.839 9.764 1.00 0.00 O ATOM 454 OD2 ASP A 29 14.201 -1.318 9.471 1.00 0.00 O ATOM 0 H ASP A 29 16.334 2.142 9.227 1.00 0.00 H new ATOM 0 HA ASP A 29 18.093 -0.088 9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.308 -1.092 10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.097 0.618 11.153 1.00 0.00 H new ATOM 459 N PHE A 30 16.168 0.011 7.115 1.00 0.00 N ATOM 460 CA PHE A 30 15.894 -0.597 5.823 1.00 0.00 C ATOM 461 C PHE A 30 17.180 -0.893 5.070 1.00 0.00 C ATOM 462 O PHE A 30 17.327 -1.967 4.506 1.00 0.00 O ATOM 463 CB PHE A 30 14.994 0.305 4.972 1.00 0.00 C ATOM 464 CG PHE A 30 14.927 -0.105 3.534 1.00 0.00 C ATOM 465 CD1 PHE A 30 14.239 -1.244 3.156 1.00 0.00 C ATOM 466 CD2 PHE A 30 15.577 0.640 2.564 1.00 0.00 C ATOM 467 CE1 PHE A 30 14.192 -1.627 1.833 1.00 0.00 C ATOM 468 CE2 PHE A 30 15.536 0.260 1.241 1.00 0.00 C ATOM 469 CZ PHE A 30 14.845 -0.876 0.877 1.00 0.00 C ATOM 0 H PHE A 30 15.747 0.932 7.238 1.00 0.00 H new ATOM 0 HA PHE A 30 15.376 -1.537 6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.988 0.300 5.390 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.359 1.330 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.735 -1.838 3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 30 16.122 1.528 2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.645 -2.513 1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 30 16.043 0.850 0.492 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.815 -1.179 -0.159 1.00 0.00 H new ATOM 479 N ASP A 31 18.113 0.052 5.055 1.00 0.00 N ATOM 480 CA ASP A 31 19.360 -0.138 4.316 1.00 0.00 C ATOM 481 C ASP A 31 20.172 -1.268 4.942 1.00 0.00 C ATOM 482 O ASP A 31 20.843 -2.039 4.252 1.00 0.00 O ATOM 483 CB ASP A 31 20.170 1.165 4.297 1.00 0.00 C ATOM 484 CG ASP A 31 21.274 1.163 3.255 1.00 0.00 C ATOM 485 OD1 ASP A 31 22.346 0.582 3.515 1.00 0.00 O ATOM 486 OD2 ASP A 31 21.077 1.761 2.173 1.00 0.00 O ATOM 0 H ASP A 31 18.034 0.947 5.538 1.00 0.00 H new ATOM 0 HA ASP A 31 19.124 -0.410 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.498 2.001 4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.608 1.328 5.282 1.00 0.00 H new ATOM 491 N LYS A 32 20.066 -1.376 6.253 1.00 0.00 N ATOM 492 CA LYS A 32 20.758 -2.409 7.011 1.00 0.00 C ATOM 493 C LYS A 32 20.075 -3.767 6.883 1.00 0.00 C ATOM 494 O LYS A 32 20.748 -4.796 6.801 1.00 0.00 O ATOM 495 CB LYS A 32 20.852 -1.983 8.479 1.00 0.00 C ATOM 496 CG LYS A 32 22.165 -1.304 8.834 1.00 0.00 C ATOM 497 CD LYS A 32 22.391 -0.064 7.988 1.00 0.00 C ATOM 498 CE LYS A 32 23.711 0.608 8.313 1.00 0.00 C ATOM 499 NZ LYS A 32 23.933 1.817 7.479 1.00 0.00 N ATOM 0 H LYS A 32 19.498 -0.751 6.825 1.00 0.00 H new ATOM 0 HA LYS A 32 21.761 -2.522 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.029 -1.305 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 32 20.724 -2.861 9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 32 22.162 -1.031 9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.989 -2.002 8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.372 -0.336 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 32 21.575 0.640 8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.728 0.885 9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 32 24.527 -0.097 8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.845 2.249 7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.942 1.549 6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.168 2.501 7.648 1.00 0.00 H new ATOM 513 N VAL A 33 18.751 -3.779 6.852 1.00 0.00 N ATOM 514 CA VAL A 33 18.023 -5.038 6.731 1.00 0.00 C ATOM 515 C VAL A 33 17.820 -5.423 5.268 1.00 0.00 C ATOM 516 O VAL A 33 17.418 -6.547 4.970 1.00 0.00 O ATOM 517 CB VAL A 33 16.663 -5.011 7.461 1.00 0.00 C ATOM 518 CG1 VAL A 33 16.861 -4.778 8.951 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.745 -3.954 6.870 1.00 0.00 C ATOM 0 H VAL A 33 18.164 -2.947 6.908 1.00 0.00 H new ATOM 0 HA VAL A 33 18.642 -5.793 7.215 1.00 0.00 H new ATOM 0 HB VAL A 33 16.187 -5.982 7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.891 -4.762 9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.469 -5.581 9.367 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.364 -3.824 9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.795 -3.958 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.211 -2.973 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.570 -4.172 5.816 1.00 0.00 H new ATOM 529 N ALA A 34 18.119 -4.492 4.357 1.00 0.00 N ATOM 530 CA ALA A 34 18.076 -4.771 2.920 1.00 0.00 C ATOM 531 C ALA A 34 19.117 -5.818 2.573 1.00 0.00 C ATOM 532 O ALA A 34 19.024 -6.503 1.554 1.00 0.00 O ATOM 533 CB ALA A 34 18.313 -3.503 2.113 1.00 0.00 C ATOM 0 H ALA A 34 18.394 -3.538 4.590 1.00 0.00 H new ATOM 0 HA ALA A 34 17.086 -5.150 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.276 -3.737 1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.541 -2.771 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.292 -3.092 2.361 1.00 0.00 H new ATOM 539 N SER A 35 20.105 -5.936 3.446 1.00 0.00 N ATOM 540 CA SER A 35 21.105 -6.980 3.349 1.00 0.00 C ATOM 541 C SER A 35 20.429 -8.358 3.350 1.00 0.00 C ATOM 542 O SER A 35 20.929 -9.310 2.754 1.00 0.00 O ATOM 543 CB SER A 35 22.096 -6.832 4.515 1.00 0.00 C ATOM 544 OG SER A 35 22.938 -7.968 4.638 1.00 0.00 O ATOM 0 H SER A 35 20.234 -5.309 4.240 1.00 0.00 H new ATOM 0 HA SER A 35 21.656 -6.888 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.706 -5.942 4.363 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.545 -6.685 5.444 1.00 0.00 H new ATOM 0 HG SER A 35 23.555 -7.838 5.388 1.00 0.00 H new ATOM 550 N GLU A 36 19.265 -8.439 3.995 1.00 0.00 N ATOM 551 CA GLU A 36 18.497 -9.676 4.067 1.00 0.00 C ATOM 552 C GLU A 36 17.276 -9.620 3.143 1.00 0.00 C ATOM 553 O GLU A 36 16.330 -10.393 3.307 1.00 0.00 O ATOM 554 CB GLU A 36 18.039 -9.909 5.507 1.00 0.00 C ATOM 555 CG GLU A 36 19.092 -9.550 6.537 1.00 0.00 C ATOM 556 CD GLU A 36 18.697 -9.946 7.947 1.00 0.00 C ATOM 557 OE1 GLU A 36 17.892 -9.218 8.565 1.00 0.00 O ATOM 558 OE2 GLU A 36 19.208 -10.971 8.450 1.00 0.00 O ATOM 0 H GLU A 36 18.832 -7.652 4.479 1.00 0.00 H new ATOM 0 HA GLU A 36 19.136 -10.498 3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.141 -9.320 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.764 -10.957 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.030 -10.040 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.274 -8.476 6.504 1.00 0.00 H new ATOM 565 N TYR A 37 17.309 -8.721 2.161 1.00 0.00 N ATOM 566 CA TYR A 37 16.190 -8.539 1.235 1.00 0.00 C ATOM 567 C TYR A 37 16.655 -8.683 -0.212 1.00 0.00 C ATOM 568 O TYR A 37 17.850 -8.663 -0.484 1.00 0.00 O ATOM 569 CB TYR A 37 15.545 -7.160 1.416 1.00 0.00 C ATOM 570 CG TYR A 37 14.866 -6.947 2.748 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.371 -8.015 3.485 1.00 0.00 C ATOM 572 CD2 TYR A 37 14.715 -5.671 3.265 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.752 -7.816 4.703 1.00 0.00 C ATOM 574 CE2 TYR A 37 14.096 -5.462 4.480 1.00 0.00 C ATOM 575 CZ TYR A 37 13.616 -6.538 5.198 1.00 0.00 C ATOM 576 OH TYR A 37 13.004 -6.336 6.416 1.00 0.00 O ATOM 0 H TYR A 37 18.102 -8.104 1.985 1.00 0.00 H new ATOM 0 HA TYR A 37 15.454 -9.312 1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.312 -6.396 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.812 -7.010 0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.472 -9.018 3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.088 -4.825 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.376 -8.658 5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.988 -4.460 4.868 1.00 0.00 H new ATOM 0 HH TYR A 37 12.990 -5.378 6.620 1.00 0.00 H new ATOM 586 N THR A 38 15.709 -8.804 -1.131 1.00 0.00 N ATOM 587 CA THR A 38 16.011 -8.940 -2.546 1.00 0.00 C ATOM 588 C THR A 38 14.961 -8.213 -3.384 1.00 0.00 C ATOM 589 O THR A 38 13.778 -8.553 -3.347 1.00 0.00 O ATOM 590 CB THR A 38 16.074 -10.426 -2.973 1.00 0.00 C ATOM 591 OG1 THR A 38 17.098 -11.110 -2.233 1.00 0.00 O ATOM 592 CG2 THR A 38 16.350 -10.559 -4.466 1.00 0.00 C ATOM 0 H THR A 38 14.712 -8.811 -0.916 1.00 0.00 H new ATOM 0 HA THR A 38 16.990 -8.492 -2.717 1.00 0.00 H new ATOM 0 HB THR A 38 15.105 -10.877 -2.759 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.129 -12.050 -2.509 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.389 -11.614 -4.736 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.555 -10.069 -5.028 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.304 -10.089 -4.703 1.00 0.00 H new ATOM 600 N LYS A 39 15.398 -7.192 -4.105 1.00 0.00 N ATOM 601 CA LYS A 39 14.522 -6.420 -4.971 1.00 0.00 C ATOM 602 C LYS A 39 14.032 -7.269 -6.138 1.00 0.00 C ATOM 603 O LYS A 39 14.797 -8.033 -6.731 1.00 0.00 O ATOM 604 CB LYS A 39 15.255 -5.184 -5.502 1.00 0.00 C ATOM 605 CG LYS A 39 14.396 -4.292 -6.385 1.00 0.00 C ATOM 606 CD LYS A 39 15.179 -3.109 -6.922 1.00 0.00 C ATOM 607 CE LYS A 39 14.318 -2.240 -7.818 1.00 0.00 C ATOM 608 NZ LYS A 39 15.071 -1.076 -8.346 1.00 0.00 N ATOM 0 H LYS A 39 16.368 -6.876 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 39 13.660 -6.101 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.621 -4.600 -4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.129 -5.507 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.002 -4.875 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.540 -3.932 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.559 -2.514 -6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.044 -3.466 -7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.941 -2.836 -8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.451 -1.889 -7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.591 -0.197 -8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.036 -1.082 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.114 -1.132 -9.384 1.00 0.00 H new ATOM 622 N ILE A 40 12.756 -7.139 -6.451 1.00 0.00 N ATOM 623 CA ILE A 40 12.172 -7.851 -7.576 1.00 0.00 C ATOM 624 C ILE A 40 11.906 -6.904 -8.740 1.00 0.00 C ATOM 625 O ILE A 40 11.839 -7.328 -9.893 1.00 0.00 O ATOM 626 CB ILE A 40 10.864 -8.570 -7.177 1.00 0.00 C ATOM 627 CG1 ILE A 40 9.911 -7.596 -6.473 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.173 -9.766 -6.287 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.604 -8.227 -6.046 1.00 0.00 C ATOM 0 H ILE A 40 12.101 -6.546 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 40 12.895 -8.604 -7.889 1.00 0.00 H new ATOM 0 HB ILE A 40 10.372 -8.932 -8.080 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.409 -7.184 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.700 -6.761 -7.141 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.244 -10.265 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.814 -10.464 -6.825 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.683 -9.427 -5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.982 -7.478 -5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.084 -8.614 -6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.804 -9.044 -5.352 1.00 0.00 H new ATOM 641 N GLY A 41 11.772 -5.621 -8.433 1.00 0.00 N ATOM 642 CA GLY A 41 11.536 -4.635 -9.466 1.00 0.00 C ATOM 643 C GLY A 41 10.902 -3.380 -8.915 1.00 0.00 C ATOM 644 O GLY A 41 10.538 -3.329 -7.739 1.00 0.00 O ATOM 0 H GLY A 41 11.823 -5.246 -7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.480 -4.382 -9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.890 -5.061 -10.233 1.00 0.00 H new ATOM 648 N THR A 42 10.792 -2.364 -9.752 1.00 0.00 N ATOM 649 CA THR A 42 10.166 -1.115 -9.360 1.00 0.00 C ATOM 650 C THR A 42 8.785 -1.001 -9.999 1.00 0.00 C ATOM 651 O THR A 42 8.529 -1.585 -11.055 1.00 0.00 O ATOM 652 CB THR A 42 11.016 0.098 -9.797 1.00 0.00 C ATOM 653 OG1 THR A 42 12.396 -0.128 -9.485 1.00 0.00 O ATOM 654 CG2 THR A 42 10.566 1.375 -9.105 1.00 0.00 C ATOM 0 H THR A 42 11.131 -2.381 -10.714 1.00 0.00 H new ATOM 0 HA THR A 42 10.080 -1.114 -8.273 1.00 0.00 H new ATOM 0 HB THR A 42 10.885 0.214 -10.873 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.575 0.159 -8.565 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.187 2.207 -9.437 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.525 1.577 -9.355 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.664 1.258 -8.026 1.00 0.00 H new ATOM 662 N ILE A 43 7.906 -0.258 -9.355 1.00 0.00 N ATOM 663 CA ILE A 43 6.603 0.065 -9.919 1.00 0.00 C ATOM 664 C ILE A 43 6.517 1.574 -10.085 1.00 0.00 C ATOM 665 O ILE A 43 7.325 2.303 -9.511 1.00 0.00 O ATOM 666 CB ILE A 43 5.428 -0.447 -9.047 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.540 0.077 -7.615 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.383 -1.968 -9.050 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.492 -0.480 -6.669 1.00 0.00 C ATOM 0 H ILE A 43 8.071 0.139 -8.430 1.00 0.00 H new ATOM 0 HA ILE A 43 6.511 -0.439 -10.881 1.00 0.00 H new ATOM 0 HB ILE A 43 4.501 -0.069 -9.477 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.530 -0.165 -7.227 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.460 1.164 -7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.552 -2.309 -8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.247 -2.326 -10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.317 -2.360 -8.649 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.640 -0.060 -5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.498 -0.216 -7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.584 -1.565 -6.622 1.00 0.00 H new ATOM 681 N SER A 44 5.561 2.047 -10.860 1.00 0.00 N ATOM 682 CA SER A 44 5.502 3.465 -11.172 1.00 0.00 C ATOM 683 C SER A 44 4.069 3.938 -11.371 1.00 0.00 C ATOM 684 O SER A 44 3.150 3.134 -11.535 1.00 0.00 O ATOM 685 CB SER A 44 6.323 3.752 -12.435 1.00 0.00 C ATOM 686 OG SER A 44 6.550 5.143 -12.607 1.00 0.00 O ATOM 0 H SER A 44 4.824 1.482 -11.281 1.00 0.00 H new ATOM 0 HA SER A 44 5.920 4.011 -10.326 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.279 3.232 -12.374 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.800 3.358 -13.307 1.00 0.00 H new ATOM 0 HG SER A 44 7.077 5.290 -13.420 1.00 0.00 H new ATOM 692 N THR A 45 3.904 5.250 -11.357 1.00 0.00 N ATOM 693 CA THR A 45 2.620 5.883 -11.587 1.00 0.00 C ATOM 694 C THR A 45 2.795 7.136 -12.429 1.00 0.00 C ATOM 695 O THR A 45 3.452 8.093 -12.012 1.00 0.00 O ATOM 696 CB THR A 45 1.923 6.259 -10.268 1.00 0.00 C ATOM 697 OG1 THR A 45 2.899 6.654 -9.294 1.00 0.00 O ATOM 698 CG2 THR A 45 1.093 5.107 -9.735 1.00 0.00 C ATOM 0 H THR A 45 4.663 5.909 -11.184 1.00 0.00 H new ATOM 0 HA THR A 45 1.995 5.162 -12.114 1.00 0.00 H new ATOM 0 HB THR A 45 1.251 7.094 -10.466 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.764 6.788 -9.734 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.614 5.405 -8.802 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.330 4.840 -10.466 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.738 4.247 -9.553 1.00 0.00 H new ATOM 706 N THR A 46 2.244 7.116 -13.629 1.00 0.00 N ATOM 707 CA THR A 46 2.310 8.264 -14.518 1.00 0.00 C ATOM 708 C THR A 46 1.090 8.282 -15.430 1.00 0.00 C ATOM 709 O THR A 46 0.855 7.337 -16.187 1.00 0.00 O ATOM 710 CB THR A 46 3.594 8.249 -15.371 1.00 0.00 C ATOM 711 OG1 THR A 46 4.734 7.995 -14.535 1.00 0.00 O ATOM 712 CG2 THR A 46 3.784 9.577 -16.091 1.00 0.00 C ATOM 0 H THR A 46 1.744 6.314 -14.013 1.00 0.00 H new ATOM 0 HA THR A 46 2.325 9.163 -13.901 1.00 0.00 H new ATOM 0 HB THR A 46 3.498 7.458 -16.114 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.546 7.985 -15.083 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.697 9.541 -16.686 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.932 9.762 -16.745 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.860 10.380 -15.358 1.00 0.00 H new ATOM 720 N GLY A 47 0.308 9.343 -15.330 1.00 0.00 N ATOM 721 CA GLY A 47 -0.891 9.462 -16.130 1.00 0.00 C ATOM 722 C GLY A 47 -1.618 10.756 -15.858 1.00 0.00 C ATOM 723 O GLY A 47 -1.137 11.828 -16.218 1.00 0.00 O ATOM 0 H GLY A 47 0.484 10.129 -14.705 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.630 9.406 -17.187 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.553 8.622 -15.921 1.00 0.00 H new ATOM 727 N GLU A 48 -2.782 10.651 -15.240 1.00 0.00 N ATOM 728 CA GLU A 48 -3.543 11.820 -14.813 1.00 0.00 C ATOM 729 C GLU A 48 -4.625 11.406 -13.823 1.00 0.00 C ATOM 730 O GLU A 48 -5.818 11.616 -14.035 1.00 0.00 O ATOM 731 CB GLU A 48 -4.126 12.567 -16.019 1.00 0.00 C ATOM 732 CG GLU A 48 -4.879 11.685 -16.989 1.00 0.00 C ATOM 733 CD GLU A 48 -5.049 12.345 -18.336 1.00 0.00 C ATOM 734 OE1 GLU A 48 -5.933 13.211 -18.475 1.00 0.00 O ATOM 735 OE2 GLU A 48 -4.272 12.022 -19.259 1.00 0.00 O ATOM 0 H GLU A 48 -3.227 9.760 -15.020 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.871 12.512 -14.306 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.796 13.348 -15.659 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.315 13.064 -16.551 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.346 10.742 -17.112 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.859 11.445 -16.576 1.00 0.00 H new ATOM 742 N MET A 49 -4.180 10.797 -12.736 1.00 0.00 N ATOM 743 CA MET A 49 -5.082 10.321 -11.700 1.00 0.00 C ATOM 744 C MET A 49 -4.892 11.158 -10.444 1.00 0.00 C ATOM 745 O MET A 49 -4.261 12.215 -10.490 1.00 0.00 O ATOM 746 CB MET A 49 -4.798 8.843 -11.392 1.00 0.00 C ATOM 747 CG MET A 49 -4.708 7.952 -12.627 1.00 0.00 C ATOM 748 SD MET A 49 -6.245 7.863 -13.562 1.00 0.00 S ATOM 749 CE MET A 49 -7.294 6.981 -12.403 1.00 0.00 C ATOM 0 H MET A 49 -3.193 10.620 -12.548 1.00 0.00 H new ATOM 0 HA MET A 49 -6.111 10.414 -12.047 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.862 8.772 -10.838 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.584 8.462 -10.740 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.917 8.325 -13.278 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.420 6.947 -12.320 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.180 6.614 -12.921 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.744 6.139 -11.983 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.595 7.654 -11.600 1.00 0.00 H new ATOM 759 N SER A 50 -5.435 10.700 -9.328 1.00 0.00 N ATOM 760 CA SER A 50 -5.210 11.365 -8.058 1.00 0.00 C ATOM 761 C SER A 50 -4.126 10.621 -7.273 1.00 0.00 C ATOM 762 O SER A 50 -4.066 9.387 -7.307 1.00 0.00 O ATOM 763 CB SER A 50 -6.523 11.441 -7.278 1.00 0.00 C ATOM 764 OG SER A 50 -7.241 10.222 -7.369 1.00 0.00 O ATOM 0 H SER A 50 -6.032 9.874 -9.277 1.00 0.00 H new ATOM 0 HA SER A 50 -4.862 12.384 -8.226 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.316 11.668 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.134 12.256 -7.666 1.00 0.00 H new ATOM 0 HG SER A 50 -7.749 10.079 -6.543 1.00 0.00 H new ATOM 770 N PRO A 51 -3.266 11.355 -6.548 1.00 0.00 N ATOM 771 CA PRO A 51 -2.073 10.788 -5.905 1.00 0.00 C ATOM 772 C PRO A 51 -2.378 9.669 -4.913 1.00 0.00 C ATOM 773 O PRO A 51 -1.823 8.577 -5.020 1.00 0.00 O ATOM 774 CB PRO A 51 -1.429 11.983 -5.188 1.00 0.00 C ATOM 775 CG PRO A 51 -2.494 13.025 -5.118 1.00 0.00 C ATOM 776 CD PRO A 51 -3.380 12.802 -6.311 1.00 0.00 C ATOM 0 HA PRO A 51 -1.427 10.318 -6.646 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.086 11.705 -4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.559 12.347 -5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.061 12.940 -4.191 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.061 14.025 -5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.410 13.097 -6.109 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.047 13.379 -7.174 1.00 0.00 H new ATOM 784 N LEU A 52 -3.265 9.933 -3.960 1.00 0.00 N ATOM 785 CA LEU A 52 -3.566 8.962 -2.907 1.00 0.00 C ATOM 786 C LEU A 52 -4.175 7.697 -3.491 1.00 0.00 C ATOM 787 O LEU A 52 -3.828 6.588 -3.085 1.00 0.00 O ATOM 788 CB LEU A 52 -4.515 9.557 -1.855 1.00 0.00 C ATOM 789 CG LEU A 52 -3.935 10.682 -0.985 1.00 0.00 C ATOM 790 CD1 LEU A 52 -3.876 11.997 -1.748 1.00 0.00 C ATOM 791 CD2 LEU A 52 -4.754 10.842 0.285 1.00 0.00 C ATOM 0 H LEU A 52 -3.788 10.806 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.624 8.708 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.399 9.939 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.849 8.753 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.915 10.407 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.461 12.773 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.244 11.879 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.881 12.283 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.331 11.643 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.784 11.088 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.735 9.910 0.850 1.00 0.00 H new ATOM 803 N ASP A 53 -5.046 7.871 -4.474 1.00 0.00 N ATOM 804 CA ASP A 53 -5.757 6.751 -5.079 1.00 0.00 C ATOM 805 C ASP A 53 -4.795 5.835 -5.818 1.00 0.00 C ATOM 806 O ASP A 53 -4.841 4.614 -5.662 1.00 0.00 O ATOM 807 CB ASP A 53 -6.830 7.249 -6.046 1.00 0.00 C ATOM 808 CG ASP A 53 -7.953 7.994 -5.359 1.00 0.00 C ATOM 809 OD1 ASP A 53 -7.771 9.190 -5.045 1.00 0.00 O ATOM 810 OD2 ASP A 53 -9.030 7.400 -5.155 1.00 0.00 O ATOM 0 H ASP A 53 -5.279 8.781 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.234 6.190 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.368 7.903 -6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.245 6.399 -6.587 1.00 0.00 H new ATOM 815 N ALA A 54 -3.913 6.426 -6.618 1.00 0.00 N ATOM 816 CA ALA A 54 -2.952 5.650 -7.388 1.00 0.00 C ATOM 817 C ALA A 54 -1.872 5.067 -6.487 1.00 0.00 C ATOM 818 O ALA A 54 -1.282 4.033 -6.799 1.00 0.00 O ATOM 819 CB ALA A 54 -2.336 6.498 -8.478 1.00 0.00 C ATOM 0 H ALA A 54 -3.845 7.435 -6.749 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.484 4.821 -7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.620 5.901 -9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.119 6.855 -9.147 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.824 7.350 -8.031 1.00 0.00 H new ATOM 825 N ARG A 55 -1.616 5.725 -5.362 1.00 0.00 N ATOM 826 CA ARG A 55 -0.667 5.208 -4.402 1.00 0.00 C ATOM 827 C ARG A 55 -1.221 3.941 -3.786 1.00 0.00 C ATOM 828 O ARG A 55 -0.489 2.983 -3.582 1.00 0.00 O ATOM 829 CB ARG A 55 -0.326 6.250 -3.331 1.00 0.00 C ATOM 830 CG ARG A 55 0.768 7.216 -3.773 1.00 0.00 C ATOM 831 CD ARG A 55 1.288 8.067 -2.625 1.00 0.00 C ATOM 832 NE ARG A 55 0.254 8.927 -2.058 1.00 0.00 N ATOM 833 CZ ARG A 55 0.405 10.231 -1.839 1.00 0.00 C ATOM 834 NH1 ARG A 55 1.556 10.833 -2.134 1.00 0.00 N ATOM 835 NH2 ARG A 55 -0.590 10.927 -1.309 1.00 0.00 N ATOM 0 H ARG A 55 -2.052 6.609 -5.100 1.00 0.00 H new ATOM 0 HA ARG A 55 0.265 4.974 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.224 6.815 -3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.008 5.739 -2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.594 6.652 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.380 7.866 -4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.684 7.417 -1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.115 8.682 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.641 8.502 -1.814 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.327 10.294 -2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.667 11.833 -1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.467 10.463 -1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.479 11.927 -1.139 1.00 0.00 H new ATOM 849 N GLU A 56 -2.528 3.928 -3.525 1.00 0.00 N ATOM 850 CA GLU A 56 -3.198 2.717 -3.064 1.00 0.00 C ATOM 851 C GLU A 56 -3.062 1.611 -4.099 1.00 0.00 C ATOM 852 O GLU A 56 -2.899 0.446 -3.753 1.00 0.00 O ATOM 853 CB GLU A 56 -4.678 2.966 -2.784 1.00 0.00 C ATOM 854 CG GLU A 56 -4.947 3.847 -1.578 1.00 0.00 C ATOM 855 CD GLU A 56 -6.425 3.930 -1.261 1.00 0.00 C ATOM 856 OE1 GLU A 56 -6.930 3.054 -0.527 1.00 0.00 O ATOM 857 OE2 GLU A 56 -7.094 4.851 -1.767 1.00 0.00 O ATOM 0 H GLU A 56 -3.139 4.739 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.717 2.413 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.129 3.426 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.174 2.007 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.411 3.454 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.559 4.848 -1.765 1.00 0.00 H new ATOM 864 N ASP A 57 -3.117 1.988 -5.373 1.00 0.00 N ATOM 865 CA ASP A 57 -2.972 1.026 -6.462 1.00 0.00 C ATOM 866 C ASP A 57 -1.571 0.433 -6.425 1.00 0.00 C ATOM 867 O ASP A 57 -1.391 -0.771 -6.587 1.00 0.00 O ATOM 868 CB ASP A 57 -3.234 1.692 -7.818 1.00 0.00 C ATOM 869 CG ASP A 57 -3.276 0.698 -8.968 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.203 0.292 -9.454 1.00 0.00 O ATOM 871 OD2 ASP A 57 -4.390 0.331 -9.400 1.00 0.00 O ATOM 0 H ASP A 57 -3.261 2.951 -5.677 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.707 0.231 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.181 2.231 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.456 2.430 -8.011 1.00 0.00 H new ATOM 876 N LEU A 58 -0.589 1.295 -6.180 1.00 0.00 N ATOM 877 CA LEU A 58 0.799 0.873 -6.003 1.00 0.00 C ATOM 878 C LEU A 58 0.928 -0.055 -4.804 1.00 0.00 C ATOM 879 O LEU A 58 1.547 -1.116 -4.885 1.00 0.00 O ATOM 880 CB LEU A 58 1.702 2.091 -5.789 1.00 0.00 C ATOM 881 CG LEU A 58 1.913 2.985 -7.010 1.00 0.00 C ATOM 882 CD1 LEU A 58 2.772 4.183 -6.638 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.561 2.201 -8.144 1.00 0.00 C ATOM 0 H LEU A 58 -0.730 2.302 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 58 1.107 0.343 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.279 2.697 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.676 1.742 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 58 0.941 3.341 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.916 4.814 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.276 4.757 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.740 3.838 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.703 2.855 -9.004 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.527 1.818 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.917 1.367 -8.424 1.00 0.00 H new ATOM 895 N ILE A 59 0.332 0.366 -3.695 1.00 0.00 N ATOM 896 CA ILE A 59 0.359 -0.388 -2.449 1.00 0.00 C ATOM 897 C ILE A 59 -0.272 -1.764 -2.645 1.00 0.00 C ATOM 898 O ILE A 59 0.248 -2.773 -2.159 1.00 0.00 O ATOM 899 CB ILE A 59 -0.383 0.386 -1.334 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.343 1.700 -1.027 1.00 0.00 C ATOM 901 CG2 ILE A 59 -0.503 -0.460 -0.073 1.00 0.00 C ATOM 902 CD1 ILE A 59 -0.551 2.776 -0.439 1.00 0.00 C ATOM 0 H ILE A 59 -0.185 1.243 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 59 1.398 -0.521 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.389 0.614 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.158 1.499 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.793 2.078 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.028 0.106 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.059 -1.370 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.492 -0.722 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.037 3.674 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.352 3.008 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.981 2.420 0.497 1.00 0.00 H new ATOM 914 N LYS A 60 -1.383 -1.799 -3.369 1.00 0.00 N ATOM 915 CA LYS A 60 -2.043 -3.052 -3.698 1.00 0.00 C ATOM 916 C LYS A 60 -1.190 -3.875 -4.653 1.00 0.00 C ATOM 917 O LYS A 60 -0.959 -5.047 -4.417 1.00 0.00 O ATOM 918 CB LYS A 60 -3.419 -2.802 -4.323 1.00 0.00 C ATOM 919 CG LYS A 60 -4.442 -2.233 -3.353 1.00 0.00 C ATOM 920 CD LYS A 60 -5.780 -1.990 -4.033 1.00 0.00 C ATOM 921 CE LYS A 60 -6.371 -3.280 -4.588 1.00 0.00 C ATOM 922 NZ LYS A 60 -7.686 -3.056 -5.243 1.00 0.00 N ATOM 0 H LYS A 60 -1.846 -0.970 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.176 -3.608 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.307 -2.115 -5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.799 -3.740 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.576 -2.922 -2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.069 -1.297 -2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.476 -1.548 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.652 -1.270 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.678 -3.716 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.487 -4.002 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.051 -3.959 -5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.356 -2.664 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.572 -2.387 -6.031 1.00 0.00 H new ATOM 936 N LYS A 61 -0.708 -3.241 -5.716 1.00 0.00 N ATOM 937 CA LYS A 61 0.060 -3.925 -6.753 1.00 0.00 C ATOM 938 C LYS A 61 1.325 -4.564 -6.184 1.00 0.00 C ATOM 939 O LYS A 61 1.681 -5.682 -6.550 1.00 0.00 O ATOM 940 CB LYS A 61 0.423 -2.928 -7.850 1.00 0.00 C ATOM 941 CG LYS A 61 0.201 -3.459 -9.248 1.00 0.00 C ATOM 942 CD LYS A 61 0.278 -2.349 -10.280 1.00 0.00 C ATOM 943 CE LYS A 61 1.656 -1.705 -10.320 1.00 0.00 C ATOM 944 NZ LYS A 61 1.707 -0.567 -11.279 1.00 0.00 N ATOM 0 H LYS A 61 -0.837 -2.243 -5.884 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.554 -4.725 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.168 -2.022 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.470 -2.645 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.949 -4.220 -9.473 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.774 -3.944 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.037 -2.751 -11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.471 -1.590 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.922 -1.353 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.398 -2.452 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.662 -0.155 -11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.478 -0.908 -12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.017 0.157 -10.995 1.00 0.00 H new ATOM 958 N ALA A 62 2.007 -3.846 -5.305 1.00 0.00 N ATOM 959 CA ALA A 62 3.167 -4.389 -4.603 1.00 0.00 C ATOM 960 C ALA A 62 2.793 -5.637 -3.799 1.00 0.00 C ATOM 961 O ALA A 62 3.500 -6.646 -3.831 1.00 0.00 O ATOM 962 CB ALA A 62 3.770 -3.333 -3.692 1.00 0.00 C ATOM 0 H ALA A 62 1.779 -2.883 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 62 3.908 -4.680 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.634 -3.750 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.083 -2.475 -4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.027 -3.016 -2.961 1.00 0.00 H new ATOM 968 N ASP A 63 1.666 -5.563 -3.097 1.00 0.00 N ATOM 969 CA ASP A 63 1.165 -6.686 -2.302 1.00 0.00 C ATOM 970 C ASP A 63 0.718 -7.821 -3.216 1.00 0.00 C ATOM 971 O ASP A 63 0.962 -8.995 -2.943 1.00 0.00 O ATOM 972 CB ASP A 63 -0.006 -6.221 -1.433 1.00 0.00 C ATOM 973 CG ASP A 63 -0.497 -7.284 -0.471 1.00 0.00 C ATOM 974 OD1 ASP A 63 -1.248 -8.185 -0.901 1.00 0.00 O ATOM 975 OD2 ASP A 63 -0.157 -7.200 0.726 1.00 0.00 O ATOM 0 H ASP A 63 1.077 -4.731 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 63 1.966 -7.051 -1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.298 -5.341 -0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.830 -5.916 -2.078 1.00 0.00 H new ATOM 980 N GLU A 64 0.070 -7.443 -4.310 1.00 0.00 N ATOM 981 CA GLU A 64 -0.396 -8.383 -5.319 1.00 0.00 C ATOM 982 C GLU A 64 0.778 -9.073 -6.001 1.00 0.00 C ATOM 983 O GLU A 64 0.692 -10.239 -6.387 1.00 0.00 O ATOM 984 CB GLU A 64 -1.254 -7.646 -6.352 1.00 0.00 C ATOM 985 CG GLU A 64 -2.606 -7.213 -5.821 1.00 0.00 C ATOM 986 CD GLU A 64 -3.492 -6.616 -6.891 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.266 -5.454 -7.283 1.00 0.00 O ATOM 988 OE2 GLU A 64 -4.418 -7.315 -7.355 1.00 0.00 O ATOM 0 H GLU A 64 -0.148 -6.470 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.999 -9.149 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.712 -6.767 -6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.403 -8.293 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.109 -8.072 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.462 -6.482 -5.026 1.00 0.00 H new ATOM 995 N LYS A 65 1.874 -8.342 -6.155 1.00 0.00 N ATOM 996 CA LYS A 65 3.104 -8.913 -6.671 1.00 0.00 C ATOM 997 C LYS A 65 3.698 -9.851 -5.629 1.00 0.00 C ATOM 998 O LYS A 65 4.252 -10.899 -5.961 1.00 0.00 O ATOM 999 CB LYS A 65 4.102 -7.805 -7.025 1.00 0.00 C ATOM 1000 CG LYS A 65 5.341 -8.293 -7.768 1.00 0.00 C ATOM 1001 CD LYS A 65 5.161 -8.312 -9.290 1.00 0.00 C ATOM 1002 CE LYS A 65 4.116 -9.323 -9.759 1.00 0.00 C ATOM 1003 NZ LYS A 65 2.742 -8.746 -9.790 1.00 0.00 N ATOM 0 H LYS A 65 1.933 -7.349 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 65 2.887 -9.475 -7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.596 -7.058 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.415 -7.307 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.185 -7.651 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.591 -9.297 -7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.872 -7.317 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.117 -8.543 -9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.380 -9.679 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.129 -10.189 -9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.094 -9.364 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.752 -7.802 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.420 -8.669 -10.776 1.00 0.00 H new ATOM 1017 N GLY A 66 3.563 -9.465 -4.367 1.00 0.00 N ATOM 1018 CA GLY A 66 3.980 -10.325 -3.280 1.00 0.00 C ATOM 1019 C GLY A 66 5.169 -9.788 -2.511 1.00 0.00 C ATOM 1020 O GLY A 66 5.738 -10.504 -1.692 1.00 0.00 O ATOM 0 H GLY A 66 3.171 -8.569 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.144 -10.462 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.229 -11.308 -3.679 1.00 0.00 H new ATOM 1024 N ALA A 67 5.542 -8.535 -2.764 1.00 0.00 N ATOM 1025 CA ALA A 67 6.711 -7.928 -2.119 1.00 0.00 C ATOM 1026 C ALA A 67 6.517 -7.823 -0.609 1.00 0.00 C ATOM 1027 O ALA A 67 5.417 -7.549 -0.132 1.00 0.00 O ATOM 1028 CB ALA A 67 6.978 -6.555 -2.712 1.00 0.00 C ATOM 0 H ALA A 67 5.053 -7.917 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 67 7.572 -8.571 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.848 -6.112 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.168 -6.651 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.110 -5.915 -2.554 1.00 0.00 H new ATOM 1034 N ASP A 68 7.599 -8.034 0.132 1.00 0.00 N ATOM 1035 CA ASP A 68 7.548 -8.042 1.590 1.00 0.00 C ATOM 1036 C ASP A 68 7.800 -6.646 2.143 1.00 0.00 C ATOM 1037 O ASP A 68 7.233 -6.249 3.157 1.00 0.00 O ATOM 1038 CB ASP A 68 8.588 -9.010 2.161 1.00 0.00 C ATOM 1039 CG ASP A 68 8.403 -10.431 1.671 1.00 0.00 C ATOM 1040 OD1 ASP A 68 7.299 -10.985 1.823 1.00 0.00 O ATOM 1041 OD2 ASP A 68 9.360 -10.996 1.101 1.00 0.00 O ATOM 0 H ASP A 68 8.527 -8.203 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 68 6.552 -8.370 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.586 -8.665 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.531 -8.996 3.249 1.00 0.00 H new ATOM 1046 N VAL A 69 8.662 -5.904 1.472 1.00 0.00 N ATOM 1047 CA VAL A 69 8.995 -4.552 1.890 1.00 0.00 C ATOM 1048 C VAL A 69 8.746 -3.585 0.748 1.00 0.00 C ATOM 1049 O VAL A 69 9.090 -3.870 -0.399 1.00 0.00 O ATOM 1050 CB VAL A 69 10.466 -4.450 2.346 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.802 -3.039 2.801 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.742 -5.442 3.463 1.00 0.00 C ATOM 0 H VAL A 69 9.147 -6.216 0.631 1.00 0.00 H new ATOM 0 HA VAL A 69 8.359 -4.295 2.737 1.00 0.00 H new ATOM 0 HB VAL A 69 11.101 -4.691 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.844 -2.997 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.644 -2.344 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.159 -2.763 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.783 -5.359 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.091 -5.226 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.550 -6.454 3.107 1.00 0.00 H new ATOM 1062 N VAL A 70 8.134 -2.451 1.044 1.00 0.00 N ATOM 1063 CA VAL A 70 7.817 -1.488 0.009 1.00 0.00 C ATOM 1064 C VAL A 70 8.379 -0.117 0.362 1.00 0.00 C ATOM 1065 O VAL A 70 8.417 0.260 1.531 1.00 0.00 O ATOM 1066 CB VAL A 70 6.292 -1.390 -0.220 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.755 -2.686 -0.799 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.559 -1.056 1.067 1.00 0.00 C ATOM 0 H VAL A 70 7.850 -2.178 1.985 1.00 0.00 H new ATOM 0 HA VAL A 70 8.279 -1.834 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 70 6.118 -0.583 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.680 -2.598 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.243 -2.888 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.956 -3.504 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.489 -0.995 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.748 -1.835 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.913 -0.099 1.450 1.00 0.00 H new ATOM 1078 N VAL A 71 8.840 0.613 -0.646 1.00 0.00 N ATOM 1079 CA VAL A 71 9.343 1.963 -0.444 1.00 0.00 C ATOM 1080 C VAL A 71 8.671 2.907 -1.433 1.00 0.00 C ATOM 1081 O VAL A 71 8.926 2.845 -2.636 1.00 0.00 O ATOM 1082 CB VAL A 71 10.877 2.039 -0.626 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.394 3.431 -0.301 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.582 1.003 0.234 1.00 0.00 C ATOM 0 H VAL A 71 8.875 0.291 -1.613 1.00 0.00 H new ATOM 0 HA VAL A 71 9.111 2.256 0.580 1.00 0.00 H new ATOM 0 HB VAL A 71 11.096 1.823 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.475 3.458 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.926 4.157 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.152 3.677 0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.659 1.079 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.347 1.180 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.247 0.005 -0.050 1.00 0.00 H new ATOM 1094 N LEU A 72 7.794 3.759 -0.925 1.00 0.00 N ATOM 1095 CA LEU A 72 7.032 4.662 -1.772 1.00 0.00 C ATOM 1096 C LEU A 72 7.824 5.926 -2.082 1.00 0.00 C ATOM 1097 O LEU A 72 7.888 6.845 -1.266 1.00 0.00 O ATOM 1098 CB LEU A 72 5.703 5.029 -1.103 1.00 0.00 C ATOM 1099 CG LEU A 72 4.760 3.858 -0.828 1.00 0.00 C ATOM 1100 CD1 LEU A 72 3.501 4.342 -0.130 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.406 3.135 -2.118 1.00 0.00 C ATOM 0 H LEU A 72 7.592 3.844 0.071 1.00 0.00 H new ATOM 0 HA LEU A 72 6.829 4.146 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.917 5.530 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.185 5.750 -1.735 1.00 0.00 H new ATOM 0 HG LEU A 72 5.273 3.155 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.841 3.495 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.768 4.812 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.990 5.067 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.734 2.306 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.915 3.828 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.315 2.752 -2.582 1.00 0.00 H new ATOM 1113 N THR A 73 8.445 5.953 -3.252 1.00 0.00 N ATOM 1114 CA THR A 73 9.147 7.142 -3.726 1.00 0.00 C ATOM 1115 C THR A 73 8.195 8.095 -4.448 1.00 0.00 C ATOM 1116 O THR A 73 8.571 9.203 -4.830 1.00 0.00 O ATOM 1117 CB THR A 73 10.284 6.750 -4.678 1.00 0.00 C ATOM 1118 OG1 THR A 73 9.948 5.536 -5.363 1.00 0.00 O ATOM 1119 CG2 THR A 73 11.593 6.570 -3.927 1.00 0.00 C ATOM 0 H THR A 73 8.478 5.162 -3.895 1.00 0.00 H new ATOM 0 HA THR A 73 9.559 7.649 -2.853 1.00 0.00 H new ATOM 0 HB THR A 73 10.414 7.555 -5.401 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.934 5.699 -6.329 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.380 6.292 -4.628 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.860 7.504 -3.433 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.479 5.784 -3.180 1.00 0.00 H new ATOM 1127 N SER A 74 6.974 7.625 -4.641 1.00 0.00 N ATOM 1128 CA SER A 74 5.924 8.368 -5.330 1.00 0.00 C ATOM 1129 C SER A 74 5.695 9.753 -4.727 1.00 0.00 C ATOM 1130 O SER A 74 5.087 9.892 -3.662 1.00 0.00 O ATOM 1131 CB SER A 74 4.625 7.555 -5.298 1.00 0.00 C ATOM 1132 OG SER A 74 4.334 7.127 -3.977 1.00 0.00 O ATOM 0 H SER A 74 6.677 6.704 -4.320 1.00 0.00 H new ATOM 0 HA SER A 74 6.246 8.522 -6.360 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.802 8.160 -5.679 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.715 6.690 -5.954 1.00 0.00 H new ATOM 0 HG SER A 74 4.470 7.872 -3.354 1.00 0.00 H new ATOM 1138 N GLY A 75 6.198 10.767 -5.417 1.00 0.00 N ATOM 1139 CA GLY A 75 5.969 12.132 -5.026 1.00 0.00 C ATOM 1140 C GLY A 75 6.297 13.080 -6.159 1.00 0.00 C ATOM 1141 O GLY A 75 6.060 12.751 -7.326 1.00 0.00 O ATOM 0 H GLY A 75 6.770 10.658 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.928 12.260 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.580 12.373 -4.156 1.00 0.00 H new ATOM 1145 N GLN A 76 6.853 14.234 -5.803 1.00 0.00 N ATOM 1146 CA GLN A 76 7.273 15.275 -6.753 1.00 0.00 C ATOM 1147 C GLN A 76 6.083 15.931 -7.450 1.00 0.00 C ATOM 1148 O GLN A 76 5.847 17.130 -7.312 1.00 0.00 O ATOM 1149 CB GLN A 76 8.241 14.714 -7.802 1.00 0.00 C ATOM 1150 CG GLN A 76 8.701 15.757 -8.808 1.00 0.00 C ATOM 1151 CD GLN A 76 9.524 15.170 -9.936 1.00 0.00 C ATOM 1152 OE1 GLN A 76 9.335 14.016 -10.330 1.00 0.00 O ATOM 1153 NE2 GLN A 76 10.438 15.964 -10.469 1.00 0.00 N ATOM 0 H GLN A 76 7.030 14.483 -4.830 1.00 0.00 H new ATOM 0 HA GLN A 76 7.786 16.038 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.112 14.296 -7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.757 13.895 -8.333 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.829 16.260 -9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.290 16.516 -8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.561 16.912 -10.112 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.020 15.629 -11.237 1.00 0.00 H new ATOM 1162 N THR A 77 5.333 15.131 -8.172 1.00 0.00 N ATOM 1163 CA THR A 77 4.262 15.615 -9.013 1.00 0.00 C ATOM 1164 C THR A 77 2.978 14.890 -8.652 1.00 0.00 C ATOM 1165 O THR A 77 2.699 13.806 -9.149 1.00 0.00 O ATOM 1166 CB THR A 77 4.578 15.397 -10.508 1.00 0.00 C ATOM 1167 OG1 THR A 77 5.890 15.882 -10.814 1.00 0.00 O ATOM 1168 CG2 THR A 77 3.565 16.106 -11.388 1.00 0.00 C ATOM 0 H THR A 77 5.450 14.118 -8.193 1.00 0.00 H new ATOM 0 HA THR A 77 4.150 16.686 -8.846 1.00 0.00 H new ATOM 0 HB THR A 77 4.528 14.326 -10.706 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.079 15.736 -11.764 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.811 15.936 -12.436 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.568 15.717 -11.182 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.587 17.176 -11.179 1.00 0.00 H new ATOM 1176 N GLU A 78 2.235 15.481 -7.742 1.00 0.00 N ATOM 1177 CA GLU A 78 1.008 14.883 -7.232 1.00 0.00 C ATOM 1178 C GLU A 78 -0.185 15.086 -8.170 1.00 0.00 C ATOM 1179 O GLU A 78 -1.144 14.322 -8.126 1.00 0.00 O ATOM 1180 CB GLU A 78 0.698 15.472 -5.862 1.00 0.00 C ATOM 1181 CG GLU A 78 1.728 15.113 -4.805 1.00 0.00 C ATOM 1182 CD GLU A 78 1.482 15.819 -3.491 1.00 0.00 C ATOM 1183 OE1 GLU A 78 0.678 15.310 -2.680 1.00 0.00 O ATOM 1184 OE2 GLU A 78 2.090 16.886 -3.263 1.00 0.00 O ATOM 0 H GLU A 78 2.459 16.388 -7.332 1.00 0.00 H new ATOM 0 HA GLU A 78 1.171 13.808 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.638 16.557 -5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.282 15.122 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.716 14.035 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.723 15.369 -5.170 1.00 0.00 H new ATOM 1191 N ASN A 79 -0.114 16.117 -9.009 1.00 0.00 N ATOM 1192 CA ASN A 79 -1.228 16.489 -9.885 1.00 0.00 C ATOM 1193 C ASN A 79 -1.680 15.320 -10.766 1.00 0.00 C ATOM 1194 O ASN A 79 -2.775 14.794 -10.582 1.00 0.00 O ATOM 1195 CB ASN A 79 -0.835 17.674 -10.767 1.00 0.00 C ATOM 1196 CG ASN A 79 -2.036 18.425 -11.320 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -1.938 19.605 -11.650 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -3.178 17.764 -11.410 1.00 0.00 N ATOM 0 H ASN A 79 0.708 16.714 -9.102 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.064 16.769 -9.244 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.218 18.362 -10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.224 17.317 -11.596 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.012 18.233 -11.762 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.224 16.785 -11.127 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.858 14.946 -11.744 1.00 0.00 N ATOM 1206 CA LYS A 80 -1.172 13.806 -12.602 1.00 0.00 C ATOM 1207 C LYS A 80 -0.292 12.626 -12.241 1.00 0.00 C ATOM 1208 O LYS A 80 -0.319 11.583 -12.899 1.00 0.00 O ATOM 1209 CB LYS A 80 -0.998 14.154 -14.082 1.00 0.00 C ATOM 1210 CG LYS A 80 0.413 14.571 -14.462 1.00 0.00 C ATOM 1211 CD LYS A 80 0.600 14.558 -15.970 1.00 0.00 C ATOM 1212 CE LYS A 80 1.901 15.221 -16.381 1.00 0.00 C ATOM 1213 NZ LYS A 80 1.903 16.669 -16.053 1.00 0.00 N ATOM 0 H LYS A 80 0.023 15.411 -11.961 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.217 13.543 -12.439 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.284 13.291 -14.683 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.685 14.961 -14.337 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.617 15.570 -14.076 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.132 13.897 -13.997 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.587 13.529 -16.329 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.236 15.072 -16.445 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.735 14.732 -15.877 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.055 15.090 -17.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.622 17.154 -16.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.967 17.073 -16.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.121 16.796 -15.044 1.00 0.00 H new ATOM 1227 N ILE A 81 0.466 12.817 -11.169 1.00 0.00 N ATOM 1228 CA ILE A 81 1.374 11.810 -10.628 1.00 0.00 C ATOM 1229 C ILE A 81 2.570 11.570 -11.549 1.00 0.00 C ATOM 1230 O ILE A 81 2.480 11.683 -12.772 1.00 0.00 O ATOM 1231 CB ILE A 81 0.663 10.476 -10.333 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -0.699 10.737 -9.690 1.00 0.00 C ATOM 1233 CG2 ILE A 81 1.517 9.620 -9.407 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -1.555 9.504 -9.559 1.00 0.00 C ATOM 0 H ILE A 81 0.468 13.690 -10.641 1.00 0.00 H new ATOM 0 HA ILE A 81 1.738 12.213 -9.683 1.00 0.00 H new ATOM 0 HB ILE A 81 0.516 9.943 -11.272 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.547 11.169 -8.701 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.234 11.479 -10.283 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.004 8.679 -9.205 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.476 9.416 -9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.682 10.151 -8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.505 9.768 -9.094 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.739 9.082 -10.547 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.041 8.768 -8.941 1.00 0.00 H new ATOM 1246 N HIS A 82 3.689 11.239 -10.932 1.00 0.00 N ATOM 1247 CA HIS A 82 4.950 11.035 -11.631 1.00 0.00 C ATOM 1248 C HIS A 82 5.889 10.244 -10.723 1.00 0.00 C ATOM 1249 O HIS A 82 7.109 10.264 -10.881 1.00 0.00 O ATOM 1250 CB HIS A 82 5.570 12.396 -12.002 1.00 0.00 C ATOM 1251 CG HIS A 82 6.811 12.313 -12.843 1.00 0.00 C ATOM 1252 ND1 HIS A 82 8.028 12.823 -12.441 1.00 0.00 N ATOM 1253 CD2 HIS A 82 7.019 11.770 -14.064 1.00 0.00 C ATOM 1254 CE1 HIS A 82 8.926 12.601 -13.379 1.00 0.00 C ATOM 1255 NE2 HIS A 82 8.340 11.963 -14.373 1.00 0.00 N ATOM 0 H HIS A 82 3.752 11.102 -9.923 1.00 0.00 H new ATOM 0 HA HIS A 82 4.783 10.477 -12.552 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.825 12.986 -12.536 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.805 12.935 -11.084 1.00 0.00 H new ATOM 0 HD1 HIS A 82 8.205 13.298 -11.556 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.282 11.277 -14.680 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.965 12.892 -13.340 1.00 0.00 H new ATOM 1264 N GLY A 83 5.300 9.512 -9.789 1.00 0.00 N ATOM 1265 CA GLY A 83 6.084 8.866 -8.760 1.00 0.00 C ATOM 1266 C GLY A 83 6.287 7.392 -9.023 1.00 0.00 C ATOM 1267 O GLY A 83 5.584 6.795 -9.839 1.00 0.00 O ATOM 0 H GLY A 83 4.294 9.355 -9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.055 9.355 -8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.590 8.995 -7.797 1.00 0.00 H new ATOM 1271 N THR A 84 7.244 6.809 -8.330 1.00 0.00 N ATOM 1272 CA THR A 84 7.522 5.393 -8.442 1.00 0.00 C ATOM 1273 C THR A 84 7.375 4.730 -7.080 1.00 0.00 C ATOM 1274 O THR A 84 6.985 5.374 -6.110 1.00 0.00 O ATOM 1275 CB THR A 84 8.953 5.161 -8.961 1.00 0.00 C ATOM 1276 OG1 THR A 84 9.884 5.891 -8.147 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.089 5.599 -10.412 1.00 0.00 C ATOM 0 H THR A 84 7.850 7.303 -7.675 1.00 0.00 H new ATOM 0 HA THR A 84 6.812 4.959 -9.146 1.00 0.00 H new ATOM 0 HB THR A 84 9.169 4.094 -8.905 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.795 5.741 -8.477 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.110 5.423 -10.751 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.398 5.027 -11.031 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.857 6.661 -10.495 1.00 0.00 H new ATOM 1285 N ALA A 85 7.659 3.446 -7.013 1.00 0.00 N ATOM 1286 CA ALA A 85 7.775 2.761 -5.741 1.00 0.00 C ATOM 1287 C ALA A 85 8.701 1.571 -5.897 1.00 0.00 C ATOM 1288 O ALA A 85 8.561 0.788 -6.836 1.00 0.00 O ATOM 1289 CB ALA A 85 6.410 2.326 -5.229 1.00 0.00 C ATOM 0 H ALA A 85 7.815 2.853 -7.828 1.00 0.00 H new ATOM 0 HA ALA A 85 8.194 3.446 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.526 1.815 -4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.775 3.202 -5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.950 1.649 -5.949 1.00 0.00 H new ATOM 1295 N ASP A 86 9.633 1.428 -4.979 1.00 0.00 N ATOM 1296 CA ASP A 86 10.645 0.389 -5.089 1.00 0.00 C ATOM 1297 C ASP A 86 10.383 -0.671 -4.045 1.00 0.00 C ATOM 1298 O ASP A 86 10.342 -0.385 -2.849 1.00 0.00 O ATOM 1299 CB ASP A 86 12.035 0.989 -4.920 1.00 0.00 C ATOM 1300 CG ASP A 86 13.080 0.333 -5.803 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.044 0.545 -7.036 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.959 -0.376 -5.277 1.00 0.00 O ATOM 0 H ASP A 86 9.714 2.015 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 86 10.596 -0.069 -6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.994 2.054 -5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.339 0.896 -3.877 1.00 0.00 H new ATOM 1307 N ILE A 87 10.170 -1.885 -4.504 1.00 0.00 N ATOM 1308 CA ILE A 87 9.735 -2.956 -3.619 1.00 0.00 C ATOM 1309 C ILE A 87 10.770 -4.072 -3.516 1.00 0.00 C ATOM 1310 O ILE A 87 11.550 -4.313 -4.442 1.00 0.00 O ATOM 1311 CB ILE A 87 8.376 -3.532 -4.067 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.461 -4.098 -5.487 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.303 -2.453 -3.985 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.148 -4.658 -5.988 1.00 0.00 C ATOM 0 H ILE A 87 10.289 -2.159 -5.479 1.00 0.00 H new ATOM 0 HA ILE A 87 9.620 -2.516 -2.628 1.00 0.00 H new ATOM 0 HB ILE A 87 8.109 -4.349 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.795 -3.312 -6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.216 -4.883 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.346 -2.867 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.222 -2.098 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.573 -1.621 -4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.279 -5.042 -7.000 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.823 -5.466 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.395 -3.870 -5.994 1.00 0.00 H new ATOM 1326 N TYR A 88 10.750 -4.757 -2.381 1.00 0.00 N ATOM 1327 CA TYR A 88 11.738 -5.766 -2.060 1.00 0.00 C ATOM 1328 C TYR A 88 11.075 -6.979 -1.427 1.00 0.00 C ATOM 1329 O TYR A 88 10.050 -6.865 -0.756 1.00 0.00 O ATOM 1330 CB TYR A 88 12.772 -5.189 -1.087 1.00 0.00 C ATOM 1331 CG TYR A 88 13.438 -3.930 -1.589 1.00 0.00 C ATOM 1332 CD1 TYR A 88 12.855 -2.687 -1.378 1.00 0.00 C ATOM 1333 CD2 TYR A 88 14.636 -3.985 -2.286 1.00 0.00 C ATOM 1334 CE1 TYR A 88 13.444 -1.535 -1.851 1.00 0.00 C ATOM 1335 CE2 TYR A 88 15.236 -2.834 -2.756 1.00 0.00 C ATOM 1336 CZ TYR A 88 14.634 -1.613 -2.535 1.00 0.00 C ATOM 1337 OH TYR A 88 15.215 -0.468 -3.019 1.00 0.00 O ATOM 0 H TYR A 88 10.044 -4.625 -1.657 1.00 0.00 H new ATOM 0 HA TYR A 88 12.231 -6.072 -2.982 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.285 -4.977 -0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.536 -5.942 -0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.924 -2.623 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.106 -4.941 -2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.974 -0.577 -1.686 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.171 -2.889 -3.293 1.00 0.00 H new ATOM 0 HH TYR A 88 15.039 -0.393 -3.980 1.00 0.00 H new ATOM 1347 N LYS A 89 11.657 -8.134 -1.664 1.00 0.00 N ATOM 1348 CA LYS A 89 11.247 -9.360 -1.007 1.00 0.00 C ATOM 1349 C LYS A 89 12.281 -9.724 0.039 1.00 0.00 C ATOM 1350 O LYS A 89 13.341 -9.111 0.098 1.00 0.00 O ATOM 1351 CB LYS A 89 11.120 -10.488 -2.032 1.00 0.00 C ATOM 1352 CG LYS A 89 9.884 -10.392 -2.900 1.00 0.00 C ATOM 1353 CD LYS A 89 8.630 -10.657 -2.090 1.00 0.00 C ATOM 1354 CE LYS A 89 8.566 -12.091 -1.590 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.449 -12.289 -0.628 1.00 0.00 N ATOM 0 H LYS A 89 12.430 -8.252 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 89 10.277 -9.215 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.002 -10.485 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.110 -11.443 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.828 -9.401 -3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.952 -11.110 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.597 -9.975 -1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.753 -10.447 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.441 -12.766 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.510 -12.352 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.900 -13.129 -0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.834 -12.423 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.830 -11.453 -0.638 1.00 0.00 H new ATOM 1369 N LYS A 90 11.973 -10.689 0.875 1.00 0.00 N ATOM 1370 CA LYS A 90 12.940 -11.185 1.831 1.00 0.00 C ATOM 1371 C LYS A 90 13.842 -12.222 1.198 1.00 0.00 C ATOM 1372 O LYS A 90 13.445 -12.937 0.279 1.00 0.00 O ATOM 1373 CB LYS A 90 12.247 -11.776 3.052 1.00 0.00 C ATOM 1374 CG LYS A 90 12.021 -10.761 4.152 1.00 0.00 C ATOM 1375 CD LYS A 90 11.221 -11.334 5.314 1.00 0.00 C ATOM 1376 CE LYS A 90 12.033 -12.324 6.141 1.00 0.00 C ATOM 1377 NZ LYS A 90 12.226 -13.631 5.453 1.00 0.00 N ATOM 0 H LYS A 90 11.062 -11.146 0.914 1.00 0.00 H new ATOM 0 HA LYS A 90 13.549 -10.340 2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.288 -12.197 2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.847 -12.598 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.984 -10.405 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.496 -9.897 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.882 -10.520 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.330 -11.830 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.007 -11.890 6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.531 -12.491 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.768 -14.385 6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.802 -13.590 4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.243 -13.832 5.369 1.00 0.00 H new ATOM 1391 N LYS A 91 15.061 -12.288 1.698 1.00 0.00 N ATOM 1392 CA LYS A 91 16.010 -13.298 1.257 1.00 0.00 C ATOM 1393 C LYS A 91 15.660 -14.657 1.860 1.00 0.00 C ATOM 1394 O LYS A 91 14.657 -14.804 2.562 1.00 0.00 O ATOM 1395 CB LYS A 91 17.442 -12.918 1.660 1.00 0.00 C ATOM 1396 CG LYS A 91 18.130 -11.932 0.723 1.00 0.00 C ATOM 1397 CD LYS A 91 19.577 -11.704 1.144 1.00 0.00 C ATOM 1398 CE LYS A 91 20.425 -11.129 0.016 1.00 0.00 C ATOM 1399 NZ LYS A 91 20.219 -9.668 -0.165 1.00 0.00 N ATOM 0 H LYS A 91 15.420 -11.654 2.412 1.00 0.00 H new ATOM 0 HA LYS A 91 15.952 -13.357 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.421 -12.490 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 91 18.042 -13.826 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.099 -12.312 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.592 -10.984 0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.602 -11.025 1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 91 20.009 -12.648 1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.478 -11.321 0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.184 -11.644 -0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.792 -9.333 -0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.214 -9.480 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.506 -9.167 0.700 1.00 0.00 H new ATOM 1413 N LEU A 92 16.520 -15.634 1.615 1.00 0.00 N ATOM 1414 CA LEU A 92 16.346 -16.978 2.148 1.00 0.00 C ATOM 1415 C LEU A 92 17.081 -17.092 3.474 1.00 0.00 C ATOM 1416 O LEU A 92 17.491 -18.174 3.891 1.00 0.00 O ATOM 1417 CB LEU A 92 16.840 -18.023 1.135 1.00 0.00 C ATOM 1418 CG LEU A 92 18.150 -17.691 0.399 1.00 0.00 C ATOM 1419 CD1 LEU A 92 19.357 -17.804 1.321 1.00 0.00 C ATOM 1420 CD2 LEU A 92 18.316 -18.601 -0.809 1.00 0.00 C ATOM 0 H LEU A 92 17.356 -15.519 1.043 1.00 0.00 H new ATOM 0 HA LEU A 92 15.288 -17.170 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.971 -18.971 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.058 -18.175 0.391 1.00 0.00 H new ATOM 0 HG LEU A 92 18.091 -16.656 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 92 20.263 -17.562 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 92 19.245 -17.109 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 92 19.428 -18.822 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 92 19.246 -18.358 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 92 18.344 -19.640 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 92 17.477 -18.458 -1.490 1.00 0.00 H new ATOM 1432 N GLU A 93 17.242 -15.931 4.101 1.00 0.00 N ATOM 1433 CA GLU A 93 17.935 -15.784 5.380 1.00 0.00 C ATOM 1434 C GLU A 93 17.566 -16.868 6.396 1.00 0.00 C ATOM 1435 O GLU A 93 16.539 -16.804 7.069 1.00 0.00 O ATOM 1436 CB GLU A 93 17.704 -14.373 5.960 1.00 0.00 C ATOM 1437 CG GLU A 93 16.317 -13.777 5.698 1.00 0.00 C ATOM 1438 CD GLU A 93 15.323 -14.020 6.818 1.00 0.00 C ATOM 1439 OE1 GLU A 93 15.521 -13.468 7.922 1.00 0.00 O ATOM 1440 OE2 GLU A 93 14.320 -14.738 6.595 1.00 0.00 O ATOM 0 H GLU A 93 16.889 -15.049 3.729 1.00 0.00 H new ATOM 0 HA GLU A 93 18.998 -15.914 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.868 -14.409 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.455 -13.700 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.417 -12.703 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.920 -14.198 4.775 1.00 0.00 H new