USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 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 -79:sc= 1.06 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= -0.796 USER MOD Set 2.1: A 77 THR OG1 : rot 80:sc= -3.29! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -0.545 K(o=-3.8,f=-3.3) USER MOD Single : A 25 MET CE :methyl -163:sc= -0.416 (180deg=-0.722) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1 (180deg=0.523) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -29:sc= 0.0732 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0262 USER MOD Single : A 46 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 93:sc= 0.787 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 1.93 (180deg=1.93) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 72:sc= 0.158 USER MOD Single : A 76 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.26) USER MOD Single : A 79 ASN : amide:sc= -0.983 K(o=-0.98,f=-0.021) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -3:sc= -0.353 USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= 2.52 (180deg=2.34) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 4.316 -6.585 3.101 1.00 0.00 N ATOM 329 CA ALA A 22 4.140 -5.314 2.398 1.00 0.00 C ATOM 330 C ALA A 22 4.136 -4.133 3.367 1.00 0.00 C ATOM 331 O ALA A 22 3.160 -3.387 3.459 1.00 0.00 O ATOM 332 CB ALA A 22 2.877 -5.336 1.543 1.00 0.00 C ATOM 0 HA ALA A 22 4.993 -5.182 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.768 -4.380 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.950 -6.136 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.009 -5.507 2.180 1.00 0.00 H new ATOM 338 N GLU A 23 5.233 -3.981 4.098 1.00 0.00 N ATOM 339 CA GLU A 23 5.369 -2.900 5.060 1.00 0.00 C ATOM 340 C GLU A 23 6.298 -1.809 4.532 1.00 0.00 C ATOM 341 O GLU A 23 7.080 -2.040 3.607 1.00 0.00 O ATOM 342 CB GLU A 23 5.908 -3.440 6.381 1.00 0.00 C ATOM 343 CG GLU A 23 4.944 -4.365 7.104 1.00 0.00 C ATOM 344 CD GLU A 23 5.489 -4.850 8.432 1.00 0.00 C ATOM 345 OE1 GLU A 23 5.539 -4.047 9.389 1.00 0.00 O ATOM 346 OE2 GLU A 23 5.854 -6.038 8.531 1.00 0.00 O ATOM 0 H GLU A 23 6.044 -4.597 4.041 1.00 0.00 H new ATOM 0 HA GLU A 23 4.383 -2.465 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.838 -3.976 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.151 -2.601 7.034 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.002 -3.843 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.725 -5.224 6.470 1.00 0.00 H new ATOM 353 N ILE A 24 6.197 -0.626 5.123 1.00 0.00 N ATOM 354 CA ILE A 24 7.078 0.486 4.790 1.00 0.00 C ATOM 355 C ILE A 24 8.280 0.485 5.733 1.00 0.00 C ATOM 356 O ILE A 24 8.121 0.339 6.948 1.00 0.00 O ATOM 357 CB ILE A 24 6.345 1.847 4.915 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.179 1.942 3.923 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.315 3.006 4.712 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.608 2.072 2.479 1.00 0.00 C ATOM 0 H ILE A 24 5.507 -0.410 5.842 1.00 0.00 H new ATOM 0 HA ILE A 24 7.402 0.359 3.757 1.00 0.00 H new ATOM 0 HB ILE A 24 5.937 1.912 5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.554 1.055 4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.561 2.800 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.778 3.950 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.100 2.960 5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.761 2.938 3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.726 2.134 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.207 2.974 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.200 1.202 2.196 1.00 0.00 H new ATOM 372 N MET A 25 9.477 0.634 5.187 1.00 0.00 N ATOM 373 CA MET A 25 10.682 0.645 6.004 1.00 0.00 C ATOM 374 C MET A 25 11.357 2.009 5.973 1.00 0.00 C ATOM 375 O MET A 25 11.472 2.633 4.917 1.00 0.00 O ATOM 376 CB MET A 25 11.667 -0.439 5.546 1.00 0.00 C ATOM 377 CG MET A 25 11.424 -1.807 6.171 1.00 0.00 C ATOM 378 SD MET A 25 9.781 -2.470 5.828 1.00 0.00 S ATOM 379 CE MET A 25 9.856 -4.030 6.695 1.00 0.00 C ATOM 0 H MET A 25 9.640 0.749 4.187 1.00 0.00 H new ATOM 0 HA MET A 25 10.382 0.433 7.030 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.609 -0.532 4.461 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.681 -0.118 5.785 1.00 0.00 H new ATOM 0 HG2 MET A 25 12.174 -2.506 5.801 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.561 -1.735 7.250 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.057 -4.682 6.341 1.00 0.00 H new ATOM 0 HE2 MET A 25 10.820 -4.503 6.509 1.00 0.00 H new ATOM 0 HE3 MET A 25 9.736 -3.858 7.765 1.00 0.00 H new ATOM 389 N LYS A 26 11.780 2.468 7.147 1.00 0.00 N ATOM 390 CA LYS A 26 12.543 3.699 7.273 1.00 0.00 C ATOM 391 C LYS A 26 13.926 3.504 6.678 1.00 0.00 C ATOM 392 O LYS A 26 14.385 2.380 6.585 1.00 0.00 O ATOM 393 CB LYS A 26 12.656 4.081 8.745 1.00 0.00 C ATOM 394 CG LYS A 26 11.314 4.411 9.378 1.00 0.00 C ATOM 395 CD LYS A 26 11.466 4.945 10.791 1.00 0.00 C ATOM 396 CE LYS A 26 12.219 6.263 10.814 1.00 0.00 C ATOM 397 NZ LYS A 26 12.327 6.815 12.189 1.00 0.00 N ATOM 0 H LYS A 26 11.603 1.996 8.034 1.00 0.00 H new ATOM 0 HA LYS A 26 12.035 4.499 6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.118 3.260 9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.318 4.941 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.796 5.149 8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.691 3.517 9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.481 5.081 11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.994 4.213 11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.217 6.118 10.402 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.711 6.983 10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.848 7.715 12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.375 6.977 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.835 6.140 12.795 1.00 0.00 H new ATOM 411 N LYS A 27 14.601 4.587 6.306 1.00 0.00 N ATOM 412 CA LYS A 27 15.868 4.473 5.586 1.00 0.00 C ATOM 413 C LYS A 27 16.941 3.767 6.420 1.00 0.00 C ATOM 414 O LYS A 27 17.661 2.911 5.912 1.00 0.00 O ATOM 415 CB LYS A 27 16.385 5.844 5.149 1.00 0.00 C ATOM 416 CG LYS A 27 17.627 5.746 4.276 1.00 0.00 C ATOM 417 CD LYS A 27 18.295 7.091 4.065 1.00 0.00 C ATOM 418 CE LYS A 27 19.590 6.936 3.282 1.00 0.00 C ATOM 419 NZ LYS A 27 20.518 5.961 3.923 1.00 0.00 N ATOM 0 H LYS A 27 14.298 5.544 6.488 1.00 0.00 H new ATOM 0 HA LYS A 27 15.666 3.869 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.601 6.367 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.611 6.442 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.337 5.059 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.355 5.323 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.619 7.757 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.502 7.554 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.363 6.607 2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.082 7.905 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 21.477 6.091 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.531 6.118 4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.195 4.992 3.725 1.00 0.00 H new ATOM 433 N THR A 28 17.044 4.115 7.696 1.00 0.00 N ATOM 434 CA THR A 28 18.058 3.526 8.565 1.00 0.00 C ATOM 435 C THR A 28 17.826 2.029 8.726 1.00 0.00 C ATOM 436 O THR A 28 18.771 1.240 8.745 1.00 0.00 O ATOM 437 CB THR A 28 18.070 4.211 9.945 1.00 0.00 C ATOM 438 OG1 THR A 28 18.179 5.632 9.772 1.00 0.00 O ATOM 439 CG2 THR A 28 19.230 3.712 10.797 1.00 0.00 C ATOM 0 H THR A 28 16.441 4.799 8.152 1.00 0.00 H new ATOM 0 HA THR A 28 19.029 3.682 8.095 1.00 0.00 H new ATOM 0 HB THR A 28 17.139 3.967 10.457 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.185 6.069 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.213 4.213 11.765 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.137 2.636 10.944 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.172 3.929 10.293 1.00 0.00 H new ATOM 447 N ASP A 29 16.565 1.644 8.812 1.00 0.00 N ATOM 448 CA ASP A 29 16.212 0.234 8.887 1.00 0.00 C ATOM 449 C ASP A 29 16.311 -0.394 7.507 1.00 0.00 C ATOM 450 O ASP A 29 16.682 -1.551 7.374 1.00 0.00 O ATOM 451 CB ASP A 29 14.802 0.086 9.461 1.00 0.00 C ATOM 452 CG ASP A 29 14.344 -1.355 9.581 1.00 0.00 C ATOM 453 OD1 ASP A 29 14.936 -2.111 10.379 1.00 0.00 O ATOM 454 OD2 ASP A 29 13.350 -1.717 8.916 1.00 0.00 O ATOM 0 H ASP A 29 15.770 2.283 8.832 1.00 0.00 H new ATOM 0 HA ASP A 29 16.906 -0.285 9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.769 0.552 10.446 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.102 0.630 8.827 1.00 0.00 H new ATOM 459 N PHE A 30 16.012 0.397 6.487 1.00 0.00 N ATOM 460 CA PHE A 30 16.097 -0.040 5.101 1.00 0.00 C ATOM 461 C PHE A 30 17.511 -0.471 4.737 1.00 0.00 C ATOM 462 O PHE A 30 17.701 -1.545 4.180 1.00 0.00 O ATOM 463 CB PHE A 30 15.632 1.071 4.152 1.00 0.00 C ATOM 464 CG PHE A 30 15.806 0.725 2.704 1.00 0.00 C ATOM 465 CD1 PHE A 30 14.950 -0.169 2.087 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.831 1.287 1.962 1.00 0.00 C ATOM 467 CE1 PHE A 30 15.111 -0.495 0.757 1.00 0.00 C ATOM 468 CE2 PHE A 30 16.998 0.965 0.631 1.00 0.00 C ATOM 469 CZ PHE A 30 16.136 0.070 0.029 1.00 0.00 C ATOM 0 H PHE A 30 15.703 1.363 6.597 1.00 0.00 H new ATOM 0 HA PHE A 30 15.438 -0.901 4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.581 1.286 4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 30 16.189 1.982 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.147 -0.617 2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 30 17.508 1.986 2.431 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.434 -1.193 0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 30 17.800 1.411 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.265 -0.187 -1.012 1.00 0.00 H new ATOM 479 N ASP A 31 18.498 0.362 5.049 1.00 0.00 N ATOM 480 CA ASP A 31 19.891 0.030 4.746 1.00 0.00 C ATOM 481 C ASP A 31 20.306 -1.244 5.466 1.00 0.00 C ATOM 482 O ASP A 31 21.140 -2.008 4.983 1.00 0.00 O ATOM 483 CB ASP A 31 20.843 1.170 5.141 1.00 0.00 C ATOM 484 CG ASP A 31 20.853 2.336 4.164 1.00 0.00 C ATOM 485 OD1 ASP A 31 21.565 2.253 3.139 1.00 0.00 O ATOM 486 OD2 ASP A 31 20.174 3.352 4.434 1.00 0.00 O ATOM 0 H ASP A 31 18.365 1.264 5.507 1.00 0.00 H new ATOM 0 HA ASP A 31 19.959 -0.121 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.562 1.539 6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 31 21.854 0.772 5.226 1.00 0.00 H new ATOM 491 N LYS A 32 19.715 -1.464 6.625 1.00 0.00 N ATOM 492 CA LYS A 32 20.007 -2.643 7.422 1.00 0.00 C ATOM 493 C LYS A 32 19.251 -3.869 6.915 1.00 0.00 C ATOM 494 O LYS A 32 19.795 -4.973 6.899 1.00 0.00 O ATOM 495 CB LYS A 32 19.682 -2.353 8.888 1.00 0.00 C ATOM 496 CG LYS A 32 20.887 -1.880 9.689 1.00 0.00 C ATOM 497 CD LYS A 32 21.503 -0.629 9.085 1.00 0.00 C ATOM 498 CE LYS A 32 22.791 -0.235 9.791 1.00 0.00 C ATOM 499 NZ LYS A 32 23.457 0.918 9.133 1.00 0.00 N ATOM 0 H LYS A 32 19.025 -0.837 7.039 1.00 0.00 H new ATOM 0 HA LYS A 32 21.068 -2.875 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.901 -1.594 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.279 -3.255 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.585 -1.678 10.717 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.634 -2.673 9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.706 -0.798 8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.790 0.193 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.573 0.017 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.471 -1.086 9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.330 1.153 9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.689 0.670 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.819 1.739 9.142 1.00 0.00 H new ATOM 513 N VAL A 33 18.013 -3.680 6.478 1.00 0.00 N ATOM 514 CA VAL A 33 17.218 -4.797 5.978 1.00 0.00 C ATOM 515 C VAL A 33 17.502 -5.064 4.505 1.00 0.00 C ATOM 516 O VAL A 33 17.113 -6.096 3.975 1.00 0.00 O ATOM 517 CB VAL A 33 15.697 -4.597 6.183 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.369 -4.442 7.659 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.180 -3.412 5.385 1.00 0.00 C ATOM 0 H VAL A 33 17.541 -2.776 6.459 1.00 0.00 H new ATOM 0 HA VAL A 33 17.520 -5.662 6.569 1.00 0.00 H new ATOM 0 HB VAL A 33 15.192 -5.489 5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.295 -4.303 7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.682 -5.337 8.197 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.895 -3.575 8.060 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.109 -3.300 5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.694 -2.506 5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.366 -3.579 4.324 1.00 0.00 H new ATOM 529 N ALA A 34 18.200 -4.147 3.841 1.00 0.00 N ATOM 530 CA ALA A 34 18.612 -4.360 2.455 1.00 0.00 C ATOM 531 C ALA A 34 19.578 -5.538 2.372 1.00 0.00 C ATOM 532 O ALA A 34 19.826 -6.094 1.302 1.00 0.00 O ATOM 533 CB ALA A 34 19.256 -3.103 1.887 1.00 0.00 C ATOM 0 H ALA A 34 18.491 -3.253 4.237 1.00 0.00 H new ATOM 0 HA ALA A 34 17.728 -4.588 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.556 -3.282 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.541 -2.281 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.133 -2.844 2.480 1.00 0.00 H new ATOM 539 N SER A 35 20.114 -5.912 3.522 1.00 0.00 N ATOM 540 CA SER A 35 21.018 -7.038 3.625 1.00 0.00 C ATOM 541 C SER A 35 20.237 -8.338 3.837 1.00 0.00 C ATOM 542 O SER A 35 20.791 -9.431 3.725 1.00 0.00 O ATOM 543 CB SER A 35 21.987 -6.799 4.792 1.00 0.00 C ATOM 544 OG SER A 35 22.961 -7.828 4.884 1.00 0.00 O ATOM 0 H SER A 35 19.933 -5.441 4.409 1.00 0.00 H new ATOM 0 HA SER A 35 21.583 -7.133 2.697 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.484 -5.838 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.426 -6.744 5.725 1.00 0.00 H new ATOM 0 HG SER A 35 22.589 -8.663 4.532 1.00 0.00 H new ATOM 550 N GLU A 36 18.947 -8.211 4.142 1.00 0.00 N ATOM 551 CA GLU A 36 18.118 -9.366 4.472 1.00 0.00 C ATOM 552 C GLU A 36 16.897 -9.464 3.558 1.00 0.00 C ATOM 553 O GLU A 36 16.071 -10.368 3.704 1.00 0.00 O ATOM 554 CB GLU A 36 17.652 -9.269 5.925 1.00 0.00 C ATOM 555 CG GLU A 36 18.664 -8.621 6.851 1.00 0.00 C ATOM 556 CD GLU A 36 18.345 -8.854 8.311 1.00 0.00 C ATOM 557 OE1 GLU A 36 17.161 -8.758 8.687 1.00 0.00 O ATOM 558 OE2 GLU A 36 19.277 -9.134 9.090 1.00 0.00 O ATOM 0 H GLU A 36 18.454 -7.318 4.167 1.00 0.00 H new ATOM 0 HA GLU A 36 18.724 -10.261 4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.723 -8.700 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.427 -10.270 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.657 -9.015 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.696 -7.549 6.656 1.00 0.00 H new ATOM 565 N TYR A 37 16.775 -8.528 2.628 1.00 0.00 N ATOM 566 CA TYR A 37 15.653 -8.500 1.701 1.00 0.00 C ATOM 567 C TYR A 37 16.155 -8.341 0.267 1.00 0.00 C ATOM 568 O TYR A 37 17.299 -7.941 0.046 1.00 0.00 O ATOM 569 CB TYR A 37 14.688 -7.367 2.072 1.00 0.00 C ATOM 570 CG TYR A 37 13.912 -7.615 3.352 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.467 -7.343 4.598 1.00 0.00 C ATOM 572 CD2 TYR A 37 12.624 -8.129 3.313 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.762 -7.579 5.764 1.00 0.00 C ATOM 574 CE2 TYR A 37 11.912 -8.363 4.474 1.00 0.00 C ATOM 575 CZ TYR A 37 12.487 -8.089 5.697 1.00 0.00 C ATOM 576 OH TYR A 37 11.781 -8.336 6.853 1.00 0.00 O ATOM 0 H TYR A 37 17.446 -7.771 2.495 1.00 0.00 H new ATOM 0 HA TYR A 37 15.114 -9.445 1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.253 -6.441 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 37 13.983 -7.221 1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.467 -6.940 4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.170 -8.350 2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.211 -7.364 6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.909 -8.759 4.424 1.00 0.00 H new ATOM 0 HH TYR A 37 10.897 -8.694 6.626 1.00 0.00 H new ATOM 586 N THR A 38 15.306 -8.662 -0.702 1.00 0.00 N ATOM 587 CA THR A 38 15.712 -8.657 -2.104 1.00 0.00 C ATOM 588 C THR A 38 14.705 -7.913 -2.983 1.00 0.00 C ATOM 589 O THR A 38 13.511 -8.178 -2.933 1.00 0.00 O ATOM 590 CB THR A 38 15.873 -10.097 -2.633 1.00 0.00 C ATOM 591 OG1 THR A 38 16.865 -10.794 -1.866 1.00 0.00 O ATOM 592 CG2 THR A 38 16.268 -10.105 -4.103 1.00 0.00 C ATOM 0 H THR A 38 14.334 -8.929 -0.544 1.00 0.00 H new ATOM 0 HA THR A 38 16.669 -8.138 -2.153 1.00 0.00 H new ATOM 0 HB THR A 38 14.911 -10.600 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.960 -11.708 -2.207 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.374 -11.134 -4.446 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.498 -9.604 -4.690 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.216 -9.582 -4.228 1.00 0.00 H new ATOM 600 N LYS A 39 15.206 -6.997 -3.798 1.00 0.00 N ATOM 601 CA LYS A 39 14.374 -6.218 -4.704 1.00 0.00 C ATOM 602 C LYS A 39 13.888 -7.088 -5.858 1.00 0.00 C ATOM 603 O LYS A 39 14.683 -7.769 -6.508 1.00 0.00 O ATOM 604 CB LYS A 39 15.171 -5.037 -5.265 1.00 0.00 C ATOM 605 CG LYS A 39 14.353 -4.104 -6.147 1.00 0.00 C ATOM 606 CD LYS A 39 15.231 -3.103 -6.883 1.00 0.00 C ATOM 607 CE LYS A 39 15.978 -2.181 -5.929 1.00 0.00 C ATOM 608 NZ LYS A 39 16.849 -1.225 -6.663 1.00 0.00 N ATOM 0 H LYS A 39 16.200 -6.773 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 39 13.514 -5.846 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.587 -4.465 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.013 -5.421 -5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.788 -4.691 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.628 -3.569 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.949 -3.640 -7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.614 -2.506 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.262 -1.629 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.584 -2.776 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.343 -0.612 -5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.548 -1.753 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.267 -0.640 -7.296 1.00 0.00 H new ATOM 622 N ILE A 40 12.588 -7.058 -6.111 1.00 0.00 N ATOM 623 CA ILE A 40 12.015 -7.804 -7.225 1.00 0.00 C ATOM 624 C ILE A 40 11.690 -6.878 -8.388 1.00 0.00 C ATOM 625 O ILE A 40 11.263 -7.322 -9.457 1.00 0.00 O ATOM 626 CB ILE A 40 10.746 -8.573 -6.807 1.00 0.00 C ATOM 627 CG1 ILE A 40 9.747 -7.632 -6.125 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.115 -9.731 -5.894 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.455 -8.308 -5.717 1.00 0.00 C ATOM 0 H ILE A 40 11.911 -6.528 -5.563 1.00 0.00 H new ATOM 0 HA ILE A 40 12.766 -8.528 -7.541 1.00 0.00 H new ATOM 0 HB ILE A 40 10.269 -8.978 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.215 -7.199 -5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.518 -6.808 -6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.212 -10.268 -5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.787 -10.409 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.611 -9.348 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.798 -7.580 -5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.964 -8.717 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.672 -9.114 -5.016 1.00 0.00 H new ATOM 641 N GLY A 41 11.887 -5.588 -8.173 1.00 0.00 N ATOM 642 CA GLY A 41 11.689 -4.625 -9.231 1.00 0.00 C ATOM 643 C GLY A 41 11.077 -3.338 -8.734 1.00 0.00 C ATOM 644 O GLY A 41 10.730 -3.218 -7.559 1.00 0.00 O ATOM 0 H GLY A 41 12.182 -5.190 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.646 -4.409 -9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.045 -5.058 -9.996 1.00 0.00 H new ATOM 648 N THR A 42 10.964 -2.372 -9.628 1.00 0.00 N ATOM 649 CA THR A 42 10.351 -1.097 -9.305 1.00 0.00 C ATOM 650 C THR A 42 8.959 -1.018 -9.927 1.00 0.00 C ATOM 651 O THR A 42 8.690 -1.653 -10.949 1.00 0.00 O ATOM 652 CB THR A 42 11.208 0.074 -9.824 1.00 0.00 C ATOM 653 OG1 THR A 42 12.606 -0.240 -9.687 1.00 0.00 O ATOM 654 CG2 THR A 42 10.903 1.359 -9.066 1.00 0.00 C ATOM 0 H THR A 42 11.292 -2.448 -10.591 1.00 0.00 H new ATOM 0 HA THR A 42 10.276 -1.022 -8.220 1.00 0.00 H new ATOM 0 HB THR A 42 10.965 0.226 -10.876 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.144 0.508 -10.021 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.523 2.167 -9.455 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.851 1.616 -9.193 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.116 1.216 -8.007 1.00 0.00 H new ATOM 662 N ILE A 43 8.080 -0.262 -9.298 1.00 0.00 N ATOM 663 CA ILE A 43 6.739 -0.033 -9.817 1.00 0.00 C ATOM 664 C ILE A 43 6.478 1.463 -9.900 1.00 0.00 C ATOM 665 O ILE A 43 7.219 2.257 -9.318 1.00 0.00 O ATOM 666 CB ILE A 43 5.656 -0.698 -8.934 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.754 -0.180 -7.500 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.787 -2.214 -8.970 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.797 -0.850 -6.537 1.00 0.00 C ATOM 0 H ILE A 43 8.271 0.211 -8.415 1.00 0.00 H new ATOM 0 HA ILE A 43 6.683 -0.484 -10.808 1.00 0.00 H new ATOM 0 HB ILE A 43 4.675 -0.436 -9.331 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.773 -0.323 -7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.563 0.893 -7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.016 -2.661 -8.342 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.669 -2.565 -9.995 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.770 -2.503 -8.598 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.928 -0.428 -5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.772 -0.685 -6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.001 -1.920 -6.507 1.00 0.00 H new ATOM 681 N SER A 44 5.443 1.853 -10.625 1.00 0.00 N ATOM 682 CA SER A 44 5.124 3.253 -10.780 1.00 0.00 C ATOM 683 C SER A 44 3.661 3.466 -11.137 1.00 0.00 C ATOM 684 O SER A 44 2.923 2.513 -11.407 1.00 0.00 O ATOM 685 CB SER A 44 6.006 3.852 -11.862 1.00 0.00 C ATOM 686 OG SER A 44 6.194 2.941 -12.932 1.00 0.00 O ATOM 0 H SER A 44 4.813 1.217 -11.113 1.00 0.00 H new ATOM 0 HA SER A 44 5.306 3.747 -9.826 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.553 4.770 -12.237 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.973 4.124 -11.438 1.00 0.00 H new ATOM 0 HG SER A 44 6.764 3.352 -13.615 1.00 0.00 H new ATOM 692 N THR A 45 3.257 4.725 -11.120 1.00 0.00 N ATOM 693 CA THR A 45 1.928 5.125 -11.543 1.00 0.00 C ATOM 694 C THR A 45 1.939 6.577 -11.991 1.00 0.00 C ATOM 695 O THR A 45 2.739 7.391 -11.515 1.00 0.00 O ATOM 696 CB THR A 45 0.875 4.925 -10.433 1.00 0.00 C ATOM 697 OG1 THR A 45 -0.376 5.514 -10.811 1.00 0.00 O ATOM 698 CG2 THR A 45 1.345 5.518 -9.119 1.00 0.00 C ATOM 0 H THR A 45 3.844 5.500 -10.811 1.00 0.00 H new ATOM 0 HA THR A 45 1.647 4.483 -12.378 1.00 0.00 H new ATOM 0 HB THR A 45 0.737 3.852 -10.299 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.032 5.376 -10.096 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.582 5.362 -8.356 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.271 5.032 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.520 6.587 -9.244 1.00 0.00 H new ATOM 706 N THR A 46 1.050 6.888 -12.910 1.00 0.00 N ATOM 707 CA THR A 46 0.985 8.209 -13.510 1.00 0.00 C ATOM 708 C THR A 46 -0.217 8.299 -14.442 1.00 0.00 C ATOM 709 O THR A 46 -0.579 7.318 -15.098 1.00 0.00 O ATOM 710 CB THR A 46 2.281 8.537 -14.292 1.00 0.00 C ATOM 711 OG1 THR A 46 2.226 9.869 -14.826 1.00 0.00 O ATOM 712 CG2 THR A 46 2.509 7.546 -15.423 1.00 0.00 C ATOM 0 H THR A 46 0.351 6.235 -13.264 1.00 0.00 H new ATOM 0 HA THR A 46 0.879 8.938 -12.707 1.00 0.00 H new ATOM 0 HB THR A 46 3.113 8.463 -13.592 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.550 10.504 -14.154 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.426 7.803 -15.953 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.597 6.540 -15.013 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.668 7.584 -16.115 1.00 0.00 H new ATOM 720 N GLY A 47 -0.839 9.466 -14.493 1.00 0.00 N ATOM 721 CA GLY A 47 -1.987 9.645 -15.351 1.00 0.00 C ATOM 722 C GLY A 47 -2.930 10.692 -14.824 1.00 0.00 C ATOM 723 O GLY A 47 -2.734 11.890 -15.037 1.00 0.00 O ATOM 0 H GLY A 47 -0.569 10.290 -13.956 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.652 9.928 -16.349 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.517 8.697 -15.450 1.00 0.00 H new ATOM 727 N GLU A 48 -3.957 10.232 -14.140 1.00 0.00 N ATOM 728 CA GLU A 48 -4.954 11.114 -13.557 1.00 0.00 C ATOM 729 C GLU A 48 -5.674 10.431 -12.395 1.00 0.00 C ATOM 730 O GLU A 48 -6.692 9.756 -12.572 1.00 0.00 O ATOM 731 CB GLU A 48 -5.932 11.597 -14.633 1.00 0.00 C ATOM 732 CG GLU A 48 -6.416 10.497 -15.558 1.00 0.00 C ATOM 733 CD GLU A 48 -6.987 11.042 -16.847 1.00 0.00 C ATOM 734 OE1 GLU A 48 -6.201 11.277 -17.792 1.00 0.00 O ATOM 735 OE2 GLU A 48 -8.214 11.238 -16.932 1.00 0.00 O ATOM 0 H GLU A 48 -4.126 9.240 -13.971 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.451 11.991 -13.150 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.793 12.056 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.450 12.373 -15.227 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.588 9.826 -15.785 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.176 9.905 -15.048 1.00 0.00 H new ATOM 742 N MET A 49 -5.097 10.580 -11.213 1.00 0.00 N ATOM 743 CA MET A 49 -5.634 10.001 -9.986 1.00 0.00 C ATOM 744 C MET A 49 -5.345 10.953 -8.833 1.00 0.00 C ATOM 745 O MET A 49 -4.863 12.062 -9.051 1.00 0.00 O ATOM 746 CB MET A 49 -4.985 8.641 -9.668 1.00 0.00 C ATOM 747 CG MET A 49 -5.119 7.583 -10.754 1.00 0.00 C ATOM 748 SD MET A 49 -4.358 6.015 -10.278 1.00 0.00 S ATOM 749 CE MET A 49 -4.629 5.046 -11.759 1.00 0.00 C ATOM 0 H MET A 49 -4.236 11.110 -11.074 1.00 0.00 H new ATOM 0 HA MET A 49 -6.705 9.849 -10.120 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.925 8.801 -9.469 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.426 8.253 -8.750 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.175 7.421 -10.973 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.656 7.946 -11.671 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.214 4.048 -11.622 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.699 4.970 -11.954 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.140 5.529 -12.605 1.00 0.00 H new ATOM 759 N SER A 50 -5.638 10.531 -7.615 1.00 0.00 N ATOM 760 CA SER A 50 -5.177 11.252 -6.442 1.00 0.00 C ATOM 761 C SER A 50 -3.871 10.614 -5.978 1.00 0.00 C ATOM 762 O SER A 50 -3.640 9.433 -6.239 1.00 0.00 O ATOM 763 CB SER A 50 -6.226 11.193 -5.328 1.00 0.00 C ATOM 764 OG SER A 50 -7.529 11.396 -5.849 1.00 0.00 O ATOM 0 H SER A 50 -6.190 9.697 -7.413 1.00 0.00 H new ATOM 0 HA SER A 50 -5.016 12.301 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.177 10.226 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.008 11.952 -4.577 1.00 0.00 H new ATOM 0 HG SER A 50 -7.936 10.530 -6.059 1.00 0.00 H new ATOM 770 N PRO A 51 -2.990 11.368 -5.300 1.00 0.00 N ATOM 771 CA PRO A 51 -1.710 10.833 -4.823 1.00 0.00 C ATOM 772 C PRO A 51 -1.902 9.616 -3.920 1.00 0.00 C ATOM 773 O PRO A 51 -1.078 8.706 -3.904 1.00 0.00 O ATOM 774 CB PRO A 51 -1.087 11.995 -4.042 1.00 0.00 C ATOM 775 CG PRO A 51 -2.208 12.948 -3.793 1.00 0.00 C ATOM 776 CD PRO A 51 -3.152 12.787 -4.950 1.00 0.00 C ATOM 0 HA PRO A 51 -1.083 10.487 -5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.649 11.650 -3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.288 12.468 -4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.706 12.727 -2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.842 13.973 -3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.179 13.021 -4.671 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.890 13.442 -5.781 1.00 0.00 H new ATOM 784 N LEU A 52 -3.009 9.602 -3.182 1.00 0.00 N ATOM 785 CA LEU A 52 -3.353 8.471 -2.327 1.00 0.00 C ATOM 786 C LEU A 52 -3.766 7.272 -3.176 1.00 0.00 C ATOM 787 O LEU A 52 -3.373 6.140 -2.901 1.00 0.00 O ATOM 788 CB LEU A 52 -4.488 8.853 -1.370 1.00 0.00 C ATOM 789 CG LEU A 52 -4.225 10.086 -0.500 1.00 0.00 C ATOM 790 CD1 LEU A 52 -5.431 10.381 0.381 1.00 0.00 C ATOM 791 CD2 LEU A 52 -2.987 9.878 0.355 1.00 0.00 C ATOM 0 H LEU A 52 -3.685 10.365 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.475 8.201 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.391 9.028 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.691 8.004 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.055 10.940 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.228 11.260 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.303 10.569 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.627 9.526 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.814 10.763 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.133 9.013 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.124 9.708 -0.289 1.00 0.00 H new ATOM 803 N ASP A 53 -4.542 7.533 -4.227 1.00 0.00 N ATOM 804 CA ASP A 53 -4.972 6.479 -5.145 1.00 0.00 C ATOM 805 C ASP A 53 -3.764 5.868 -5.833 1.00 0.00 C ATOM 806 O ASP A 53 -3.693 4.657 -6.038 1.00 0.00 O ATOM 807 CB ASP A 53 -5.936 7.013 -6.211 1.00 0.00 C ATOM 808 CG ASP A 53 -7.246 7.526 -5.648 1.00 0.00 C ATOM 809 OD1 ASP A 53 -7.869 6.821 -4.830 1.00 0.00 O ATOM 810 OD2 ASP A 53 -7.667 8.635 -6.040 1.00 0.00 O ATOM 0 H ASP A 53 -4.885 8.464 -4.464 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.493 5.725 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.447 7.818 -6.760 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.145 6.220 -6.929 1.00 0.00 H new ATOM 815 N ALA A 54 -2.817 6.725 -6.188 1.00 0.00 N ATOM 816 CA ALA A 54 -1.570 6.286 -6.792 1.00 0.00 C ATOM 817 C ALA A 54 -0.773 5.432 -5.813 1.00 0.00 C ATOM 818 O ALA A 54 -0.218 4.398 -6.181 1.00 0.00 O ATOM 819 CB ALA A 54 -0.758 7.492 -7.226 1.00 0.00 C ATOM 0 H ALA A 54 -2.891 7.735 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.797 5.677 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.176 7.158 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.327 8.071 -7.954 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.539 8.114 -6.358 1.00 0.00 H new ATOM 825 N ARG A 55 -0.736 5.867 -4.559 1.00 0.00 N ATOM 826 CA ARG A 55 -0.051 5.132 -3.515 1.00 0.00 C ATOM 827 C ARG A 55 -0.707 3.775 -3.310 1.00 0.00 C ATOM 828 O ARG A 55 -0.024 2.758 -3.265 1.00 0.00 O ATOM 829 CB ARG A 55 -0.048 5.944 -2.216 1.00 0.00 C ATOM 830 CG ARG A 55 0.981 7.062 -2.210 1.00 0.00 C ATOM 831 CD ARG A 55 0.930 7.852 -0.919 1.00 0.00 C ATOM 832 NE ARG A 55 2.005 8.841 -0.834 1.00 0.00 N ATOM 833 CZ ARG A 55 2.518 9.277 0.314 1.00 0.00 C ATOM 834 NH1 ARG A 55 2.014 8.863 1.469 1.00 0.00 N ATOM 835 NH2 ARG A 55 3.516 10.153 0.306 1.00 0.00 N ATOM 0 H ARG A 55 -1.177 6.731 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 55 0.983 4.965 -3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.039 6.370 -2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.147 5.275 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.978 6.642 -2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.802 7.728 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.033 8.357 -0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.000 7.168 -0.073 1.00 0.00 H new ATOM 0 HE ARG A 55 2.382 9.217 -1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.231 8.209 1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.409 9.199 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.890 10.492 -0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.909 10.487 1.186 1.00 0.00 H new ATOM 849 N GLU A 56 -2.030 3.761 -3.221 1.00 0.00 N ATOM 850 CA GLU A 56 -2.765 2.512 -3.078 1.00 0.00 C ATOM 851 C GLU A 56 -2.513 1.603 -4.271 1.00 0.00 C ATOM 852 O GLU A 56 -2.403 0.392 -4.117 1.00 0.00 O ATOM 853 CB GLU A 56 -4.267 2.765 -2.929 1.00 0.00 C ATOM 854 CG GLU A 56 -4.661 3.376 -1.595 1.00 0.00 C ATOM 855 CD GLU A 56 -6.162 3.422 -1.404 1.00 0.00 C ATOM 856 OE1 GLU A 56 -6.778 2.346 -1.271 1.00 0.00 O ATOM 857 OE2 GLU A 56 -6.737 4.530 -1.396 1.00 0.00 O ATOM 0 H GLU A 56 -2.614 4.597 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.407 2.022 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.595 3.426 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.798 1.822 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.212 2.799 -0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.257 4.386 -1.527 1.00 0.00 H new ATOM 864 N ASP A 57 -2.396 2.194 -5.450 1.00 0.00 N ATOM 865 CA ASP A 57 -2.121 1.430 -6.661 1.00 0.00 C ATOM 866 C ASP A 57 -0.773 0.747 -6.529 1.00 0.00 C ATOM 867 O ASP A 57 -0.639 -0.439 -6.799 1.00 0.00 O ATOM 868 CB ASP A 57 -2.127 2.346 -7.888 1.00 0.00 C ATOM 869 CG ASP A 57 -1.709 1.634 -9.166 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.582 1.057 -9.846 1.00 0.00 O ATOM 871 OD2 ASP A 57 -0.511 1.673 -9.509 1.00 0.00 O ATOM 0 H ASP A 57 -2.487 3.199 -5.596 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.900 0.678 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.127 2.760 -8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.455 3.186 -7.710 1.00 0.00 H new ATOM 876 N LEU A 58 0.204 1.507 -6.070 1.00 0.00 N ATOM 877 CA LEU A 58 1.551 1.005 -5.859 1.00 0.00 C ATOM 878 C LEU A 58 1.568 -0.095 -4.798 1.00 0.00 C ATOM 879 O LEU A 58 2.069 -1.197 -5.028 1.00 0.00 O ATOM 880 CB LEU A 58 2.449 2.162 -5.425 1.00 0.00 C ATOM 881 CG LEU A 58 2.689 3.235 -6.486 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.560 4.353 -5.932 1.00 0.00 C ATOM 883 CD2 LEU A 58 3.324 2.624 -7.723 1.00 0.00 C ATOM 0 H LEU A 58 0.087 2.492 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 58 1.918 0.576 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.007 2.634 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.413 1.757 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 58 1.727 3.662 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.719 5.107 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.065 4.810 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.521 3.945 -5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.488 3.401 -8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.278 2.170 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.662 1.862 -8.133 1.00 0.00 H new ATOM 895 N ILE A 59 0.993 0.215 -3.647 1.00 0.00 N ATOM 896 CA ILE A 59 0.999 -0.681 -2.500 1.00 0.00 C ATOM 897 C ILE A 59 0.270 -1.990 -2.811 1.00 0.00 C ATOM 898 O ILE A 59 0.769 -3.076 -2.517 1.00 0.00 O ATOM 899 CB ILE A 59 0.352 0.013 -1.275 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.151 1.269 -0.903 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.281 -0.940 -0.086 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.345 2.315 -0.158 1.00 0.00 C ATOM 0 H ILE A 59 0.508 1.097 -3.481 1.00 0.00 H new ATOM 0 HA ILE A 59 2.037 -0.921 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.665 0.303 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.003 0.977 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.552 1.715 -1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.177 -0.430 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.318 -1.811 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.287 -1.261 0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.981 3.171 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.492 2.638 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.034 1.889 0.771 1.00 0.00 H new ATOM 914 N LYS A 60 -0.895 -1.882 -3.434 1.00 0.00 N ATOM 915 CA LYS A 60 -1.704 -3.054 -3.736 1.00 0.00 C ATOM 916 C LYS A 60 -1.096 -3.862 -4.882 1.00 0.00 C ATOM 917 O LYS A 60 -1.139 -5.087 -4.869 1.00 0.00 O ATOM 918 CB LYS A 60 -3.143 -2.627 -4.047 1.00 0.00 C ATOM 919 CG LYS A 60 -3.876 -2.098 -2.819 1.00 0.00 C ATOM 920 CD LYS A 60 -4.999 -1.131 -3.180 1.00 0.00 C ATOM 921 CE LYS A 60 -6.090 -1.790 -4.001 1.00 0.00 C ATOM 922 NZ LYS A 60 -7.184 -0.835 -4.329 1.00 0.00 N ATOM 0 H LYS A 60 -1.300 -0.997 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.721 -3.705 -2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.131 -1.857 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.690 -3.477 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.289 -2.936 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.165 -1.595 -2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.432 -0.724 -2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.586 -0.291 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.663 -2.185 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.499 -2.637 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.912 -1.321 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.607 -0.477 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.798 -0.039 -4.876 1.00 0.00 H new ATOM 936 N LYS A 61 -0.499 -3.170 -5.850 1.00 0.00 N ATOM 937 CA LYS A 61 0.156 -3.819 -6.984 1.00 0.00 C ATOM 938 C LYS A 61 1.379 -4.604 -6.522 1.00 0.00 C ATOM 939 O LYS A 61 1.658 -5.695 -7.024 1.00 0.00 O ATOM 940 CB LYS A 61 0.572 -2.759 -7.998 1.00 0.00 C ATOM 941 CG LYS A 61 0.205 -3.096 -9.423 1.00 0.00 C ATOM 942 CD LYS A 61 0.108 -1.838 -10.273 1.00 0.00 C ATOM 943 CE LYS A 61 1.374 -0.996 -10.194 1.00 0.00 C ATOM 944 NZ LYS A 61 1.217 0.294 -10.914 1.00 0.00 N ATOM 0 H LYS A 61 -0.455 -2.151 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.543 -4.516 -7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.107 -1.811 -7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.651 -2.615 -7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.952 -3.768 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.747 -3.626 -9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.079 -2.115 -11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.744 -1.243 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.619 -0.803 -9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.209 -1.552 -10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.098 0.842 -10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.007 0.109 -11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.436 0.835 -10.491 1.00 0.00 H new ATOM 958 N ALA A 62 2.116 -4.032 -5.581 1.00 0.00 N ATOM 959 CA ALA A 62 3.216 -4.736 -4.932 1.00 0.00 C ATOM 960 C ALA A 62 2.728 -6.033 -4.290 1.00 0.00 C ATOM 961 O ALA A 62 3.400 -7.061 -4.357 1.00 0.00 O ATOM 962 CB ALA A 62 3.876 -3.844 -3.894 1.00 0.00 C ATOM 0 H ALA A 62 1.972 -3.079 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 62 3.954 -4.991 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.695 -4.384 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.265 -2.948 -4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.143 -3.559 -3.140 1.00 0.00 H new ATOM 968 N ASP A 63 1.552 -5.978 -3.675 1.00 0.00 N ATOM 969 CA ASP A 63 0.929 -7.165 -3.090 1.00 0.00 C ATOM 970 C ASP A 63 0.491 -8.139 -4.183 1.00 0.00 C ATOM 971 O ASP A 63 0.564 -9.358 -4.010 1.00 0.00 O ATOM 972 CB ASP A 63 -0.274 -6.764 -2.233 1.00 0.00 C ATOM 973 CG ASP A 63 -1.056 -7.962 -1.730 1.00 0.00 C ATOM 974 OD1 ASP A 63 -0.673 -8.536 -0.687 1.00 0.00 O ATOM 975 OD2 ASP A 63 -2.066 -8.331 -2.370 1.00 0.00 O ATOM 0 H ASP A 63 1.007 -5.122 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 63 1.665 -7.662 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.070 -6.176 -1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.934 -6.123 -2.817 1.00 0.00 H new ATOM 980 N GLU A 64 0.045 -7.585 -5.308 1.00 0.00 N ATOM 981 CA GLU A 64 -0.371 -8.373 -6.464 1.00 0.00 C ATOM 982 C GLU A 64 0.746 -9.307 -6.939 1.00 0.00 C ATOM 983 O GLU A 64 0.483 -10.433 -7.366 1.00 0.00 O ATOM 984 CB GLU A 64 -0.792 -7.432 -7.595 1.00 0.00 C ATOM 985 CG GLU A 64 -2.013 -6.597 -7.273 1.00 0.00 C ATOM 986 CD GLU A 64 -3.293 -7.404 -7.236 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.901 -7.603 -8.307 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.704 -7.835 -6.138 1.00 0.00 O ATOM 0 H GLU A 64 -0.038 -6.577 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.216 -8.996 -6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.039 -6.767 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.992 -8.021 -8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.869 -6.111 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.111 -5.806 -8.017 1.00 0.00 H new ATOM 995 N LYS A 65 1.988 -8.842 -6.865 1.00 0.00 N ATOM 996 CA LYS A 65 3.123 -9.684 -7.216 1.00 0.00 C ATOM 997 C LYS A 65 3.651 -10.405 -5.975 1.00 0.00 C ATOM 998 O LYS A 65 4.232 -11.483 -6.071 1.00 0.00 O ATOM 999 CB LYS A 65 4.230 -8.861 -7.888 1.00 0.00 C ATOM 1000 CG LYS A 65 5.405 -9.709 -8.351 1.00 0.00 C ATOM 1001 CD LYS A 65 6.198 -9.043 -9.465 1.00 0.00 C ATOM 1002 CE LYS A 65 6.816 -7.724 -9.034 1.00 0.00 C ATOM 1003 NZ LYS A 65 7.793 -7.233 -10.042 1.00 0.00 N ATOM 0 H LYS A 65 2.232 -7.897 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 65 2.788 -10.434 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.812 -8.331 -8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.588 -8.105 -7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.065 -9.903 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.038 -10.675 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.987 -9.718 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.543 -8.871 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.031 -6.981 -8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.314 -7.850 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.199 -6.331 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.553 -7.933 -10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.311 -7.091 -10.952 1.00 0.00 H new ATOM 1017 N GLY A 66 3.429 -9.808 -4.810 1.00 0.00 N ATOM 1018 CA GLY A 66 3.800 -10.451 -3.563 1.00 0.00 C ATOM 1019 C GLY A 66 5.102 -9.933 -2.986 1.00 0.00 C ATOM 1020 O GLY A 66 6.055 -10.687 -2.816 1.00 0.00 O ATOM 0 H GLY A 66 2.998 -8.889 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.003 -10.302 -2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.885 -11.525 -3.727 1.00 0.00 H new ATOM 1024 N ALA A 67 5.147 -8.645 -2.690 1.00 0.00 N ATOM 1025 CA ALA A 67 6.303 -8.048 -2.030 1.00 0.00 C ATOM 1026 C ALA A 67 6.123 -8.081 -0.515 1.00 0.00 C ATOM 1027 O ALA A 67 5.018 -8.295 -0.017 1.00 0.00 O ATOM 1028 CB ALA A 67 6.504 -6.620 -2.510 1.00 0.00 C ATOM 0 H ALA A 67 4.395 -7.988 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 67 7.190 -8.628 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.370 -6.186 -2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.669 -6.618 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.617 -6.030 -2.278 1.00 0.00 H new ATOM 1034 N ASP A 68 7.215 -7.873 0.205 1.00 0.00 N ATOM 1035 CA ASP A 68 7.194 -7.897 1.663 1.00 0.00 C ATOM 1036 C ASP A 68 7.544 -6.524 2.211 1.00 0.00 C ATOM 1037 O ASP A 68 7.076 -6.119 3.274 1.00 0.00 O ATOM 1038 CB ASP A 68 8.182 -8.938 2.200 1.00 0.00 C ATOM 1039 CG ASP A 68 7.872 -10.346 1.729 1.00 0.00 C ATOM 1040 OD1 ASP A 68 7.090 -11.043 2.403 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.417 -10.763 0.681 1.00 0.00 O ATOM 0 H ASP A 68 8.133 -7.684 -0.198 1.00 0.00 H new ATOM 0 HA ASP A 68 6.190 -8.169 1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.191 -8.669 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.170 -8.914 3.290 1.00 0.00 H new ATOM 1046 N VAL A 69 8.368 -5.813 1.470 1.00 0.00 N ATOM 1047 CA VAL A 69 8.755 -4.456 1.822 1.00 0.00 C ATOM 1048 C VAL A 69 8.448 -3.537 0.654 1.00 0.00 C ATOM 1049 O VAL A 69 8.673 -3.907 -0.496 1.00 0.00 O ATOM 1050 CB VAL A 69 10.260 -4.365 2.157 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.669 -2.927 2.451 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.600 -5.265 3.331 1.00 0.00 C ATOM 0 H VAL A 69 8.790 -6.156 0.607 1.00 0.00 H new ATOM 0 HA VAL A 69 8.192 -4.157 2.706 1.00 0.00 H new ATOM 0 HB VAL A 69 10.820 -4.704 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.733 -2.892 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.468 -2.306 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.099 -2.553 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.664 -5.188 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.024 -4.957 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.356 -6.297 3.081 1.00 0.00 H new ATOM 1062 N VAL A 70 7.911 -2.360 0.931 1.00 0.00 N ATOM 1063 CA VAL A 70 7.637 -1.401 -0.122 1.00 0.00 C ATOM 1064 C VAL A 70 8.207 -0.036 0.249 1.00 0.00 C ATOM 1065 O VAL A 70 8.185 0.364 1.415 1.00 0.00 O ATOM 1066 CB VAL A 70 6.117 -1.287 -0.410 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.578 -2.588 -0.985 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.347 -0.916 0.848 1.00 0.00 C ATOM 0 H VAL A 70 7.658 -2.049 1.869 1.00 0.00 H new ATOM 0 HA VAL A 70 8.121 -1.758 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 70 5.979 -0.494 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.510 -2.485 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.096 -2.816 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.741 -3.396 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.284 -0.843 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.501 -1.682 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.703 0.044 1.223 1.00 0.00 H new ATOM 1078 N VAL A 71 8.734 0.671 -0.736 1.00 0.00 N ATOM 1079 CA VAL A 71 9.250 2.006 -0.515 1.00 0.00 C ATOM 1080 C VAL A 71 8.660 2.943 -1.548 1.00 0.00 C ATOM 1081 O VAL A 71 9.015 2.880 -2.723 1.00 0.00 O ATOM 1082 CB VAL A 71 10.793 2.055 -0.602 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.299 3.458 -0.280 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.423 1.024 0.330 1.00 0.00 C ATOM 0 H VAL A 71 8.815 0.340 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 71 8.965 2.313 0.492 1.00 0.00 H new ATOM 0 HB VAL A 71 11.087 1.809 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.387 3.476 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.881 4.168 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.992 3.733 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.509 1.078 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.123 1.231 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.088 0.026 0.048 1.00 0.00 H new ATOM 1094 N LEU A 72 7.729 3.775 -1.116 1.00 0.00 N ATOM 1095 CA LEU A 72 7.092 4.725 -2.008 1.00 0.00 C ATOM 1096 C LEU A 72 8.058 5.843 -2.351 1.00 0.00 C ATOM 1097 O LEU A 72 8.119 6.863 -1.660 1.00 0.00 O ATOM 1098 CB LEU A 72 5.817 5.294 -1.379 1.00 0.00 C ATOM 1099 CG LEU A 72 4.756 4.261 -1.005 1.00 0.00 C ATOM 1100 CD1 LEU A 72 3.565 4.943 -0.355 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.318 3.472 -2.231 1.00 0.00 C ATOM 0 H LEU A 72 7.398 3.811 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 72 6.813 4.205 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.091 5.850 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.376 6.008 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 72 5.190 3.563 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.816 4.196 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.890 5.462 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.133 5.662 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.562 2.742 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.900 4.153 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.178 2.955 -2.657 1.00 0.00 H new ATOM 1113 N THR A 73 8.831 5.625 -3.401 1.00 0.00 N ATOM 1114 CA THR A 73 9.830 6.577 -3.834 1.00 0.00 C ATOM 1115 C THR A 73 9.168 7.898 -4.212 1.00 0.00 C ATOM 1116 O THR A 73 9.633 8.967 -3.815 1.00 0.00 O ATOM 1117 CB THR A 73 10.612 6.029 -5.040 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.460 4.602 -5.116 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.083 6.372 -4.921 1.00 0.00 C ATOM 0 H THR A 73 8.781 4.783 -3.974 1.00 0.00 H new ATOM 0 HA THR A 73 10.524 6.744 -3.010 1.00 0.00 H new ATOM 0 HB THR A 73 10.213 6.488 -5.945 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.058 4.174 -4.468 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.620 5.976 -5.783 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.202 7.455 -4.885 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.487 5.932 -4.009 1.00 0.00 H new ATOM 1127 N SER A 74 8.068 7.791 -4.955 1.00 0.00 N ATOM 1128 CA SER A 74 7.262 8.939 -5.359 1.00 0.00 C ATOM 1129 C SER A 74 8.012 9.844 -6.344 1.00 0.00 C ATOM 1130 O SER A 74 9.160 9.585 -6.704 1.00 0.00 O ATOM 1131 CB SER A 74 6.818 9.735 -4.126 1.00 0.00 C ATOM 1132 OG SER A 74 6.229 8.880 -3.157 1.00 0.00 O ATOM 0 H SER A 74 7.709 6.899 -5.295 1.00 0.00 H new ATOM 0 HA SER A 74 6.379 8.560 -5.874 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.676 10.248 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.103 10.503 -4.422 1.00 0.00 H new ATOM 0 HG SER A 74 6.924 8.325 -2.744 1.00 0.00 H new ATOM 1138 N GLY A 75 7.333 10.885 -6.793 1.00 0.00 N ATOM 1139 CA GLY A 75 7.918 11.847 -7.676 1.00 0.00 C ATOM 1140 C GLY A 75 7.377 13.222 -7.382 1.00 0.00 C ATOM 1141 O GLY A 75 6.251 13.359 -6.892 1.00 0.00 O ATOM 0 H GLY A 75 6.361 11.077 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.002 11.843 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.705 11.578 -8.711 1.00 0.00 H new ATOM 1145 N GLN A 76 8.172 14.225 -7.673 1.00 0.00 N ATOM 1146 CA GLN A 76 7.819 15.619 -7.408 1.00 0.00 C ATOM 1147 C GLN A 76 6.846 16.111 -8.470 1.00 0.00 C ATOM 1148 O GLN A 76 7.159 16.974 -9.288 1.00 0.00 O ATOM 1149 CB GLN A 76 9.074 16.493 -7.395 1.00 0.00 C ATOM 1150 CG GLN A 76 9.016 17.688 -6.443 1.00 0.00 C ATOM 1151 CD GLN A 76 7.790 18.570 -6.634 1.00 0.00 C ATOM 1152 OE1 GLN A 76 7.791 19.488 -7.453 1.00 0.00 O ATOM 1153 NE2 GLN A 76 6.750 18.319 -5.850 1.00 0.00 N ATOM 0 H GLN A 76 9.089 14.107 -8.103 1.00 0.00 H new ATOM 0 HA GLN A 76 7.344 15.685 -6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.928 15.873 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.254 16.860 -8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.032 17.323 -5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.912 18.293 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.788 17.548 -5.183 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.912 18.897 -5.914 1.00 0.00 H new ATOM 1162 N THR A 77 5.683 15.511 -8.467 1.00 0.00 N ATOM 1163 CA THR A 77 4.632 15.872 -9.397 1.00 0.00 C ATOM 1164 C THR A 77 3.326 16.116 -8.655 1.00 0.00 C ATOM 1165 O THR A 77 2.876 17.258 -8.532 1.00 0.00 O ATOM 1166 CB THR A 77 4.412 14.759 -10.431 1.00 0.00 C ATOM 1167 OG1 THR A 77 5.671 14.202 -10.822 1.00 0.00 O ATOM 1168 CG2 THR A 77 3.675 15.286 -11.652 1.00 0.00 C ATOM 0 H THR A 77 5.434 14.760 -7.824 1.00 0.00 H new ATOM 0 HA THR A 77 4.942 16.784 -9.908 1.00 0.00 H new ATOM 0 HB THR A 77 3.800 13.982 -9.973 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.973 13.566 -10.140 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.533 14.477 -12.368 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.704 15.678 -11.350 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.259 16.081 -12.115 1.00 0.00 H new ATOM 1176 N GLU A 78 2.729 15.020 -8.169 1.00 0.00 N ATOM 1177 CA GLU A 78 1.472 15.045 -7.413 1.00 0.00 C ATOM 1178 C GLU A 78 0.277 15.403 -8.306 1.00 0.00 C ATOM 1179 O GLU A 78 -0.725 14.691 -8.303 1.00 0.00 O ATOM 1180 CB GLU A 78 1.589 15.997 -6.210 1.00 0.00 C ATOM 1181 CG GLU A 78 0.366 16.045 -5.302 1.00 0.00 C ATOM 1182 CD GLU A 78 -0.682 17.028 -5.786 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -0.338 18.216 -5.966 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -1.841 16.621 -6.002 1.00 0.00 O ATOM 0 H GLU A 78 3.110 14.082 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 78 1.287 14.040 -7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.453 15.701 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.787 17.003 -6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.075 15.050 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.677 16.319 -4.294 1.00 0.00 H new ATOM 1191 N ASN A 79 0.404 16.485 -9.072 1.00 0.00 N ATOM 1192 CA ASN A 79 -0.671 16.975 -9.942 1.00 0.00 C ATOM 1193 C ASN A 79 -1.269 15.857 -10.794 1.00 0.00 C ATOM 1194 O ASN A 79 -2.412 15.447 -10.580 1.00 0.00 O ATOM 1195 CB ASN A 79 -0.147 18.087 -10.855 1.00 0.00 C ATOM 1196 CG ASN A 79 -1.262 18.799 -11.592 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -1.124 19.156 -12.762 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -2.362 19.040 -10.901 1.00 0.00 N ATOM 0 H ASN A 79 1.253 17.049 -9.109 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.457 17.366 -9.296 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.411 18.810 -10.260 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.550 17.663 -11.578 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.138 19.540 -11.335 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.435 18.726 -9.933 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.498 15.374 -11.763 1.00 0.00 N ATOM 1206 CA LYS A 80 -0.933 14.265 -12.607 1.00 0.00 C ATOM 1207 C LYS A 80 -0.186 12.999 -12.213 1.00 0.00 C ATOM 1208 O LYS A 80 -0.324 11.946 -12.836 1.00 0.00 O ATOM 1209 CB LYS A 80 -0.711 14.599 -14.086 1.00 0.00 C ATOM 1210 CG LYS A 80 0.742 14.861 -14.455 1.00 0.00 C ATOM 1211 CD LYS A 80 0.862 15.475 -15.843 1.00 0.00 C ATOM 1212 CE LYS A 80 0.240 16.864 -15.895 1.00 0.00 C ATOM 1213 NZ LYS A 80 0.353 17.484 -17.243 1.00 0.00 N ATOM 0 H LYS A 80 0.431 15.733 -11.984 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.000 14.098 -12.461 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.085 13.775 -14.693 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.303 15.478 -14.341 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.190 15.529 -13.720 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.302 13.926 -14.419 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.913 15.535 -16.126 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.372 14.829 -16.571 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.811 16.799 -15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.727 17.505 -15.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.084 18.428 -17.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.356 17.571 -17.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.134 16.887 -17.942 1.00 0.00 H new ATOM 1227 N ILE A 81 0.590 13.143 -11.142 1.00 0.00 N ATOM 1228 CA ILE A 81 1.365 12.061 -10.534 1.00 0.00 C ATOM 1229 C ILE A 81 2.445 11.505 -11.469 1.00 0.00 C ATOM 1230 O ILE A 81 2.312 11.491 -12.690 1.00 0.00 O ATOM 1231 CB ILE A 81 0.466 10.899 -10.056 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -0.834 11.434 -9.450 1.00 0.00 C ATOM 1233 CG2 ILE A 81 1.200 10.043 -9.029 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -1.805 10.347 -9.059 1.00 0.00 C ATOM 0 H ILE A 81 0.701 14.035 -10.660 1.00 0.00 H new ATOM 0 HA ILE A 81 1.855 12.513 -9.672 1.00 0.00 H new ATOM 0 HB ILE A 81 0.222 10.283 -10.922 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.597 12.033 -8.570 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.314 12.099 -10.168 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.552 9.229 -8.703 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.103 9.630 -9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.471 10.657 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.704 10.797 -8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.071 9.763 -9.940 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.343 9.695 -8.318 1.00 0.00 H new ATOM 1246 N HIS A 82 3.519 11.055 -10.858 1.00 0.00 N ATOM 1247 CA HIS A 82 4.641 10.437 -11.544 1.00 0.00 C ATOM 1248 C HIS A 82 5.367 9.554 -10.545 1.00 0.00 C ATOM 1249 O HIS A 82 6.573 9.328 -10.645 1.00 0.00 O ATOM 1250 CB HIS A 82 5.610 11.496 -12.075 1.00 0.00 C ATOM 1251 CG HIS A 82 5.483 11.780 -13.542 1.00 0.00 C ATOM 1252 ND1 HIS A 82 6.286 11.192 -14.497 1.00 0.00 N ATOM 1253 CD2 HIS A 82 4.656 12.613 -14.216 1.00 0.00 C ATOM 1254 CE1 HIS A 82 5.953 11.647 -15.690 1.00 0.00 C ATOM 1255 NE2 HIS A 82 4.968 12.513 -15.548 1.00 0.00 N ATOM 0 H HIS A 82 3.643 11.108 -9.847 1.00 0.00 H new ATOM 0 HA HIS A 82 4.274 9.858 -12.391 1.00 0.00 H new ATOM 0 HB2 HIS A 82 5.452 12.423 -11.524 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.630 11.172 -11.868 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.891 13.241 -13.784 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.410 11.359 -16.625 1.00 0.00 H new ATOM 0 HE2 HIS A 82 4.513 13.024 -16.304 1.00 0.00 H new ATOM 1264 N GLY A 83 4.602 9.054 -9.582 1.00 0.00 N ATOM 1265 CA GLY A 83 5.182 8.395 -8.434 1.00 0.00 C ATOM 1266 C GLY A 83 5.678 7.004 -8.733 1.00 0.00 C ATOM 1267 O GLY A 83 5.045 6.246 -9.473 1.00 0.00 O ATOM 0 H GLY A 83 3.583 9.095 -9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.010 8.996 -8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.439 8.345 -7.638 1.00 0.00 H new ATOM 1271 N THR A 84 6.822 6.686 -8.168 1.00 0.00 N ATOM 1272 CA THR A 84 7.406 5.361 -8.290 1.00 0.00 C ATOM 1273 C THR A 84 7.492 4.705 -6.919 1.00 0.00 C ATOM 1274 O THR A 84 7.306 5.369 -5.897 1.00 0.00 O ATOM 1275 CB THR A 84 8.816 5.430 -8.914 1.00 0.00 C ATOM 1276 OG1 THR A 84 9.662 6.291 -8.136 1.00 0.00 O ATOM 1277 CG2 THR A 84 8.753 5.946 -10.345 1.00 0.00 C ATOM 0 H THR A 84 7.376 7.336 -7.610 1.00 0.00 H new ATOM 0 HA THR A 84 6.766 4.769 -8.944 1.00 0.00 H new ATOM 0 HB THR A 84 9.229 4.421 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.554 6.326 -8.540 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.759 5.985 -10.762 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.137 5.277 -10.946 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.318 6.945 -10.353 1.00 0.00 H new ATOM 1285 N ALA A 85 7.748 3.409 -6.890 1.00 0.00 N ATOM 1286 CA ALA A 85 7.959 2.707 -5.638 1.00 0.00 C ATOM 1287 C ALA A 85 8.889 1.529 -5.854 1.00 0.00 C ATOM 1288 O ALA A 85 8.730 0.773 -6.811 1.00 0.00 O ATOM 1289 CB ALA A 85 6.632 2.240 -5.054 1.00 0.00 C ATOM 0 H ALA A 85 7.815 2.821 -7.721 1.00 0.00 H new ATOM 0 HA ALA A 85 8.420 3.392 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.812 1.716 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.991 3.103 -4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.142 1.567 -5.757 1.00 0.00 H new ATOM 1295 N ASP A 86 9.864 1.381 -4.977 1.00 0.00 N ATOM 1296 CA ASP A 86 10.781 0.267 -5.052 1.00 0.00 C ATOM 1297 C ASP A 86 10.413 -0.763 -4.001 1.00 0.00 C ATOM 1298 O ASP A 86 10.307 -0.451 -2.817 1.00 0.00 O ATOM 1299 CB ASP A 86 12.239 0.735 -4.910 1.00 0.00 C ATOM 1300 CG ASP A 86 12.479 1.722 -3.777 1.00 0.00 C ATOM 1301 OD1 ASP A 86 12.184 2.928 -3.953 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.009 1.308 -2.727 1.00 0.00 O ATOM 0 H ASP A 86 10.039 2.022 -4.203 1.00 0.00 H new ATOM 0 HA ASP A 86 10.698 -0.198 -6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.874 -0.138 -4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.552 1.195 -5.847 1.00 0.00 H new ATOM 1307 N ILE A 87 10.166 -1.987 -4.445 1.00 0.00 N ATOM 1308 CA ILE A 87 9.665 -3.020 -3.553 1.00 0.00 C ATOM 1309 C ILE A 87 10.668 -4.158 -3.384 1.00 0.00 C ATOM 1310 O ILE A 87 11.475 -4.444 -4.276 1.00 0.00 O ATOM 1311 CB ILE A 87 8.314 -3.577 -4.053 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.458 -4.185 -5.452 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.266 -2.472 -4.057 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.160 -4.718 -6.020 1.00 0.00 C ATOM 0 H ILE A 87 10.303 -2.287 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 87 9.515 -2.554 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 87 7.992 -4.367 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.857 -3.429 -6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.187 -4.994 -5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.316 -2.873 -4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.142 -2.084 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.589 -1.667 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.340 -5.133 -7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.770 -5.498 -5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.434 -3.908 -6.092 1.00 0.00 H new ATOM 1326 N TYR A 88 10.594 -4.809 -2.232 1.00 0.00 N ATOM 1327 CA TYR A 88 11.547 -5.834 -1.848 1.00 0.00 C ATOM 1328 C TYR A 88 10.813 -7.011 -1.219 1.00 0.00 C ATOM 1329 O TYR A 88 9.703 -6.862 -0.702 1.00 0.00 O ATOM 1330 CB TYR A 88 12.569 -5.259 -0.854 1.00 0.00 C ATOM 1331 CG TYR A 88 13.356 -4.078 -1.395 1.00 0.00 C ATOM 1332 CD1 TYR A 88 12.782 -2.815 -1.475 1.00 0.00 C ATOM 1333 CD2 TYR A 88 14.662 -4.229 -1.842 1.00 0.00 C ATOM 1334 CE1 TYR A 88 13.482 -1.740 -1.981 1.00 0.00 C ATOM 1335 CE2 TYR A 88 15.370 -3.155 -2.355 1.00 0.00 C ATOM 1336 CZ TYR A 88 14.772 -1.912 -2.422 1.00 0.00 C ATOM 1337 OH TYR A 88 15.464 -0.842 -2.943 1.00 0.00 O ATOM 0 H TYR A 88 9.868 -4.639 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 88 12.077 -6.178 -2.737 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.047 -4.951 0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.266 -6.047 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.767 -2.672 -1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.133 -5.199 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.018 -0.766 -2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.384 -3.289 -2.701 1.00 0.00 H new ATOM 0 HH TYR A 88 14.879 -0.056 -2.970 1.00 0.00 H new ATOM 1347 N LYS A 89 11.421 -8.175 -1.284 1.00 0.00 N ATOM 1348 CA LYS A 89 10.854 -9.367 -0.693 1.00 0.00 C ATOM 1349 C LYS A 89 11.732 -9.896 0.418 1.00 0.00 C ATOM 1350 O LYS A 89 12.927 -9.605 0.477 1.00 0.00 O ATOM 1351 CB LYS A 89 10.657 -10.446 -1.736 1.00 0.00 C ATOM 1352 CG LYS A 89 9.490 -10.173 -2.651 1.00 0.00 C ATOM 1353 CD LYS A 89 9.068 -11.423 -3.394 1.00 0.00 C ATOM 1354 CE LYS A 89 8.785 -12.589 -2.446 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.729 -12.281 -1.442 1.00 0.00 N ATOM 0 H LYS A 89 12.318 -8.322 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 89 9.885 -9.093 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.565 -10.538 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.505 -11.403 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.650 -9.793 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.760 -9.396 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.176 -11.210 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.852 -11.709 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.481 -13.458 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.704 -12.859 -1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.401 -13.164 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.118 -11.653 -0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.929 -11.811 -1.912 1.00 0.00 H new ATOM 1369 N LYS A 90 11.126 -10.685 1.279 1.00 0.00 N ATOM 1370 CA LYS A 90 11.808 -11.245 2.428 1.00 0.00 C ATOM 1371 C LYS A 90 12.579 -12.495 2.037 1.00 0.00 C ATOM 1372 O LYS A 90 12.088 -13.337 1.287 1.00 0.00 O ATOM 1373 CB LYS A 90 10.781 -11.560 3.512 1.00 0.00 C ATOM 1374 CG LYS A 90 11.367 -11.907 4.869 1.00 0.00 C ATOM 1375 CD LYS A 90 10.255 -12.102 5.883 1.00 0.00 C ATOM 1376 CE LYS A 90 10.784 -12.271 7.293 1.00 0.00 C ATOM 1377 NZ LYS A 90 9.676 -12.453 8.264 1.00 0.00 N ATOM 0 H LYS A 90 10.146 -10.957 1.203 1.00 0.00 H new ATOM 0 HA LYS A 90 12.526 -10.520 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.121 -10.700 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.164 -12.393 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.965 -12.815 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.035 -11.112 5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.582 -11.245 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.668 -12.979 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.451 -13.132 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.374 -11.397 7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.068 -12.566 9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.054 -11.620 8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.129 -13.301 8.012 1.00 0.00 H new ATOM 1391 N LYS A 91 13.794 -12.597 2.542 1.00 0.00 N ATOM 1392 CA LYS A 91 14.646 -13.738 2.254 1.00 0.00 C ATOM 1393 C LYS A 91 14.583 -14.753 3.381 1.00 0.00 C ATOM 1394 O LYS A 91 13.699 -14.713 4.235 1.00 0.00 O ATOM 1395 CB LYS A 91 16.099 -13.306 2.093 1.00 0.00 C ATOM 1396 CG LYS A 91 16.322 -12.208 1.082 1.00 0.00 C ATOM 1397 CD LYS A 91 17.753 -11.718 1.150 1.00 0.00 C ATOM 1398 CE LYS A 91 18.693 -12.558 0.301 1.00 0.00 C ATOM 1399 NZ LYS A 91 20.059 -11.971 0.252 1.00 0.00 N ATOM 0 H LYS A 91 14.216 -11.901 3.157 1.00 0.00 H new ATOM 0 HA LYS A 91 14.285 -14.182 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.474 -12.972 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 91 16.692 -14.174 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.103 -12.576 0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.637 -11.382 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.795 -10.681 0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.091 -11.734 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.745 -13.569 0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.295 -12.640 -0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.630 -12.480 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.996 -10.967 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.507 -12.055 1.187 1.00 0.00 H new ATOM 1413 N LEU A 92 15.552 -15.647 3.373 1.00 0.00 N ATOM 1414 CA LEU A 92 15.746 -16.603 4.447 1.00 0.00 C ATOM 1415 C LEU A 92 17.102 -16.321 5.068 1.00 0.00 C ATOM 1416 O LEU A 92 17.681 -17.140 5.779 1.00 0.00 O ATOM 1417 CB LEU A 92 15.678 -18.050 3.933 1.00 0.00 C ATOM 1418 CG LEU A 92 16.720 -18.448 2.874 1.00 0.00 C ATOM 1419 CD1 LEU A 92 16.950 -19.951 2.907 1.00 0.00 C ATOM 1420 CD2 LEU A 92 16.273 -18.029 1.479 1.00 0.00 C ATOM 0 H LEU A 92 16.231 -15.732 2.617 1.00 0.00 H new ATOM 0 HA LEU A 92 14.952 -16.496 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.784 -18.721 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.685 -18.218 3.516 1.00 0.00 H new ATOM 0 HG LEU A 92 17.651 -17.932 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.689 -20.223 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.313 -20.242 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.013 -20.467 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.029 -18.323 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.328 -18.516 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.142 -16.947 1.449 1.00 0.00 H new ATOM 1432 N GLU A 93 17.580 -15.120 4.786 1.00 0.00 N ATOM 1433 CA GLU A 93 18.922 -14.698 5.132 1.00 0.00 C ATOM 1434 C GLU A 93 18.863 -13.420 5.961 1.00 0.00 C ATOM 1435 O GLU A 93 18.328 -12.410 5.508 1.00 0.00 O ATOM 1436 CB GLU A 93 19.695 -14.461 3.833 1.00 0.00 C ATOM 1437 CG GLU A 93 21.123 -13.985 4.013 1.00 0.00 C ATOM 1438 CD GLU A 93 21.743 -13.595 2.691 1.00 0.00 C ATOM 1439 OE1 GLU A 93 22.245 -14.485 1.974 1.00 0.00 O ATOM 1440 OE2 GLU A 93 21.698 -12.400 2.342 1.00 0.00 O ATOM 0 H GLU A 93 17.037 -14.403 4.304 1.00 0.00 H new ATOM 0 HA GLU A 93 19.423 -15.463 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 93 19.707 -15.389 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 93 19.156 -13.725 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 93 21.141 -13.132 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 93 21.716 -14.774 4.476 1.00 0.00 H new