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 -144:sc= 1.71 USER MOD Set 1.2: A 84 THR OG1 : rot 69:sc= 0.723 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.09) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=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= 0.0417 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.18) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0789 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 145:sc= -1.15 (180deg=-3.82!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 135:sc= 1.19 (180deg=-0.176) USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 1.87 (180deg=1.83) USER MOD Single : A 65 LYS NZ :NH3+ 143:sc= 0.595 (180deg=-1.02!) USER MOD Single : A 74 SER OG : rot 49:sc= 1.23 USER MOD Single : A 76 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.82) USER MOD Single : A 77 THR OG1 : rot 100:sc= 0.0571 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= 2.42 (180deg=2.2) USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= 0.341 (180deg=0.176) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= -0.298! (180deg=-0.498!) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.770 -6.241 2.284 1.00 0.00 N ATOM 329 CA ALA A 22 4.320 -5.006 1.740 1.00 0.00 C ATOM 330 C ALA A 22 3.959 -3.789 2.595 1.00 0.00 C ATOM 331 O ALA A 22 2.825 -3.302 2.561 1.00 0.00 O ATOM 332 CB ALA A 22 3.833 -4.812 0.312 1.00 0.00 C ATOM 0 HA ALA A 22 5.406 -5.094 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.246 -3.887 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.159 -5.653 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.744 -4.757 0.303 1.00 0.00 H new ATOM 338 N GLU A 23 4.925 -3.313 3.370 1.00 0.00 N ATOM 339 CA GLU A 23 4.734 -2.138 4.210 1.00 0.00 C ATOM 340 C GLU A 23 6.006 -1.285 4.205 1.00 0.00 C ATOM 341 O GLU A 23 7.057 -1.729 3.737 1.00 0.00 O ATOM 342 CB GLU A 23 4.363 -2.565 5.638 1.00 0.00 C ATOM 343 CG GLU A 23 3.817 -1.435 6.499 1.00 0.00 C ATOM 344 CD GLU A 23 3.387 -1.901 7.873 1.00 0.00 C ATOM 345 OE1 GLU A 23 2.240 -2.375 8.017 1.00 0.00 O ATOM 346 OE2 GLU A 23 4.187 -1.784 8.824 1.00 0.00 O ATOM 0 H GLU A 23 5.855 -3.726 3.434 1.00 0.00 H new ATOM 0 HA GLU A 23 3.915 -1.538 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.620 -3.361 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.245 -2.983 6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.579 -0.663 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.967 -0.977 5.993 1.00 0.00 H new ATOM 353 N ILE A 24 5.902 -0.060 4.704 1.00 0.00 N ATOM 354 CA ILE A 24 7.023 0.874 4.706 1.00 0.00 C ATOM 355 C ILE A 24 8.006 0.536 5.828 1.00 0.00 C ATOM 356 O ILE A 24 7.595 0.132 6.916 1.00 0.00 O ATOM 357 CB ILE A 24 6.530 2.330 4.900 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.515 2.711 3.814 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.701 3.309 4.898 1.00 0.00 C ATOM 360 CD1 ILE A 24 6.105 2.804 2.422 1.00 0.00 C ATOM 0 H ILE A 24 5.046 0.313 5.116 1.00 0.00 H new ATOM 0 HA ILE A 24 7.522 0.786 3.741 1.00 0.00 H new ATOM 0 HB ILE A 24 6.037 2.388 5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.712 1.974 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.066 3.670 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.327 4.324 5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.384 3.061 5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.229 3.243 3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.323 3.078 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.888 3.562 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.528 1.840 2.141 1.00 0.00 H new ATOM 372 N MET A 25 9.297 0.695 5.555 1.00 0.00 N ATOM 373 CA MET A 25 10.331 0.498 6.568 1.00 0.00 C ATOM 374 C MET A 25 11.147 1.769 6.759 1.00 0.00 C ATOM 375 O MET A 25 11.160 2.645 5.892 1.00 0.00 O ATOM 376 CB MET A 25 11.257 -0.660 6.186 1.00 0.00 C ATOM 377 CG MET A 25 10.666 -2.032 6.460 1.00 0.00 C ATOM 378 SD MET A 25 10.410 -2.331 8.218 1.00 0.00 S ATOM 379 CE MET A 25 9.757 -3.999 8.184 1.00 0.00 C ATOM 0 H MET A 25 9.654 0.961 4.637 1.00 0.00 H new ATOM 0 HA MET A 25 9.834 0.253 7.507 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.500 -0.584 5.126 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.193 -0.561 6.736 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.715 -2.126 5.936 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.329 -2.797 6.057 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.547 -4.328 9.202 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.837 -4.018 7.600 1.00 0.00 H new ATOM 0 HE3 MET A 25 10.489 -4.667 7.730 1.00 0.00 H new ATOM 389 N LYS A 26 11.814 1.865 7.902 1.00 0.00 N ATOM 390 CA LYS A 26 12.658 3.008 8.214 1.00 0.00 C ATOM 391 C LYS A 26 13.892 3.020 7.315 1.00 0.00 C ATOM 392 O LYS A 26 14.329 1.970 6.854 1.00 0.00 O ATOM 393 CB LYS A 26 13.070 2.956 9.685 1.00 0.00 C ATOM 394 CG LYS A 26 11.886 2.942 10.641 1.00 0.00 C ATOM 395 CD LYS A 26 12.329 2.860 12.093 1.00 0.00 C ATOM 396 CE LYS A 26 13.100 1.581 12.370 1.00 0.00 C ATOM 397 NZ LYS A 26 13.442 1.440 13.808 1.00 0.00 N ATOM 0 H LYS A 26 11.785 1.156 8.635 1.00 0.00 H new ATOM 0 HA LYS A 26 12.096 3.925 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.676 2.066 9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.699 3.817 9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.290 3.843 10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.243 2.093 10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.953 3.721 12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.456 2.908 12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.507 0.724 12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.015 1.573 11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.967 0.555 13.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.030 2.245 14.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.569 1.422 14.372 1.00 0.00 H new ATOM 411 N LYS A 27 14.463 4.199 7.093 1.00 0.00 N ATOM 412 CA LYS A 27 15.575 4.361 6.155 1.00 0.00 C ATOM 413 C LYS A 27 16.834 3.658 6.670 1.00 0.00 C ATOM 414 O LYS A 27 17.616 3.102 5.897 1.00 0.00 O ATOM 415 CB LYS A 27 15.858 5.851 5.942 1.00 0.00 C ATOM 416 CG LYS A 27 16.813 6.150 4.798 1.00 0.00 C ATOM 417 CD LYS A 27 16.150 5.944 3.443 1.00 0.00 C ATOM 418 CE LYS A 27 17.078 6.341 2.304 1.00 0.00 C ATOM 419 NZ LYS A 27 16.369 6.423 0.997 1.00 0.00 N ATOM 0 H LYS A 27 14.174 5.063 7.552 1.00 0.00 H new ATOM 0 HA LYS A 27 15.295 3.904 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.915 6.365 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.271 6.265 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.166 7.178 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.688 5.505 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.862 4.898 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.235 6.534 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.533 7.306 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.889 5.616 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.043 6.696 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.957 5.496 0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.612 7.134 1.057 1.00 0.00 H new ATOM 433 N THR A 28 17.015 3.682 7.980 1.00 0.00 N ATOM 434 CA THR A 28 18.157 3.048 8.611 1.00 0.00 C ATOM 435 C THR A 28 18.046 1.534 8.544 1.00 0.00 C ATOM 436 O THR A 28 19.001 0.844 8.185 1.00 0.00 O ATOM 437 CB THR A 28 18.263 3.506 10.069 1.00 0.00 C ATOM 438 OG1 THR A 28 16.959 3.518 10.660 1.00 0.00 O ATOM 439 CG2 THR A 28 18.876 4.893 10.156 1.00 0.00 C ATOM 0 H THR A 28 16.377 4.139 8.632 1.00 0.00 H new ATOM 0 HA THR A 28 19.057 3.344 8.073 1.00 0.00 H new ATOM 0 HB THR A 28 18.907 2.810 10.607 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.026 3.809 11.593 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.941 5.197 11.201 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.875 4.877 9.720 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.253 5.601 9.610 1.00 0.00 H new ATOM 447 N ASP A 29 16.869 1.023 8.868 1.00 0.00 N ATOM 448 CA ASP A 29 16.614 -0.402 8.759 1.00 0.00 C ATOM 449 C ASP A 29 16.635 -0.824 7.306 1.00 0.00 C ATOM 450 O ASP A 29 17.013 -1.935 7.003 1.00 0.00 O ATOM 451 CB ASP A 29 15.279 -0.781 9.403 1.00 0.00 C ATOM 452 CG ASP A 29 15.393 -0.978 10.901 1.00 0.00 C ATOM 453 OD1 ASP A 29 15.690 -0.002 11.616 1.00 0.00 O ATOM 454 OD2 ASP A 29 15.206 -2.120 11.373 1.00 0.00 O ATOM 0 H ASP A 29 16.079 1.572 9.207 1.00 0.00 H new ATOM 0 HA ASP A 29 17.404 -0.928 9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.546 -0.001 9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.906 -1.698 8.946 1.00 0.00 H new ATOM 459 N PHE A 30 16.246 0.079 6.413 1.00 0.00 N ATOM 460 CA PHE A 30 16.286 -0.181 4.975 1.00 0.00 C ATOM 461 C PHE A 30 17.699 -0.542 4.519 1.00 0.00 C ATOM 462 O PHE A 30 17.897 -1.495 3.764 1.00 0.00 O ATOM 463 CB PHE A 30 15.771 1.044 4.212 1.00 0.00 C ATOM 464 CG PHE A 30 15.982 0.975 2.728 1.00 0.00 C ATOM 465 CD1 PHE A 30 15.210 0.138 1.939 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.962 1.748 2.121 1.00 0.00 C ATOM 467 CE1 PHE A 30 15.408 0.073 0.577 1.00 0.00 C ATOM 468 CE2 PHE A 30 17.164 1.685 0.756 1.00 0.00 C ATOM 469 CZ PHE A 30 16.385 0.846 -0.017 1.00 0.00 C ATOM 0 H PHE A 30 15.897 1.005 6.660 1.00 0.00 H new ATOM 0 HA PHE A 30 15.641 -1.033 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.706 1.162 4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 30 16.268 1.934 4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.444 -0.471 2.397 1.00 0.00 H new ATOM 0 HD2 PHE A 30 17.573 2.405 2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.798 -0.583 -0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 30 17.930 2.291 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.540 0.795 -1.085 1.00 0.00 H new ATOM 479 N ASP A 31 18.679 0.207 5.003 1.00 0.00 N ATOM 480 CA ASP A 31 20.078 -0.023 4.646 1.00 0.00 C ATOM 481 C ASP A 31 20.572 -1.345 5.223 1.00 0.00 C ATOM 482 O ASP A 31 21.416 -2.022 4.633 1.00 0.00 O ATOM 483 CB ASP A 31 20.940 1.147 5.146 1.00 0.00 C ATOM 484 CG ASP A 31 22.430 0.924 4.960 1.00 0.00 C ATOM 485 OD1 ASP A 31 22.905 0.951 3.804 1.00 0.00 O ATOM 486 OD2 ASP A 31 23.140 0.757 5.977 1.00 0.00 O ATOM 0 H ASP A 31 18.533 0.984 5.648 1.00 0.00 H new ATOM 0 HA ASP A 31 20.160 -0.082 3.561 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.648 2.055 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.735 1.313 6.204 1.00 0.00 H new ATOM 491 N LYS A 32 20.021 -1.718 6.364 1.00 0.00 N ATOM 492 CA LYS A 32 20.394 -2.955 7.030 1.00 0.00 C ATOM 493 C LYS A 32 19.636 -4.158 6.469 1.00 0.00 C ATOM 494 O LYS A 32 20.180 -5.260 6.393 1.00 0.00 O ATOM 495 CB LYS A 32 20.160 -2.799 8.532 1.00 0.00 C ATOM 496 CG LYS A 32 21.356 -2.213 9.270 1.00 0.00 C ATOM 497 CD LYS A 32 21.727 -0.844 8.725 1.00 0.00 C ATOM 498 CE LYS A 32 23.049 -0.347 9.275 1.00 0.00 C ATOM 499 NZ LYS A 32 23.393 0.990 8.725 1.00 0.00 N ATOM 0 H LYS A 32 19.308 -1.177 6.853 1.00 0.00 H new ATOM 0 HA LYS A 32 21.451 -3.149 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.293 -2.158 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.920 -3.773 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.126 -2.133 10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.208 -2.886 9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.783 -0.891 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.941 -0.131 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.996 -0.293 10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.838 -1.058 9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.249 1.349 9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.566 0.911 7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.605 1.648 8.892 1.00 0.00 H new ATOM 513 N VAL A 33 18.397 -3.948 6.049 1.00 0.00 N ATOM 514 CA VAL A 33 17.600 -5.023 5.480 1.00 0.00 C ATOM 515 C VAL A 33 17.936 -5.215 4.009 1.00 0.00 C ATOM 516 O VAL A 33 17.538 -6.203 3.406 1.00 0.00 O ATOM 517 CB VAL A 33 16.076 -4.809 5.640 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.698 -4.667 7.107 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.599 -3.611 4.832 1.00 0.00 C ATOM 0 H VAL A 33 17.924 -3.046 6.092 1.00 0.00 H new ATOM 0 HA VAL A 33 17.858 -5.920 6.044 1.00 0.00 H new ATOM 0 HB VAL A 33 15.572 -5.692 5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.622 -4.518 7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.983 -5.571 7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.218 -3.810 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.524 -3.487 4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.113 -2.713 5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.817 -3.774 3.777 1.00 0.00 H new ATOM 529 N ALA A 34 18.690 -4.278 3.432 1.00 0.00 N ATOM 530 CA ALA A 34 19.208 -4.455 2.078 1.00 0.00 C ATOM 531 C ALA A 34 20.102 -5.693 2.010 1.00 0.00 C ATOM 532 O ALA A 34 20.443 -6.179 0.931 1.00 0.00 O ATOM 533 CB ALA A 34 19.980 -3.220 1.647 1.00 0.00 C ATOM 0 H ALA A 34 18.953 -3.398 3.877 1.00 0.00 H new ATOM 0 HA ALA A 34 18.369 -4.596 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.361 -3.364 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 34 19.320 -2.353 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.814 -3.056 2.329 1.00 0.00 H new ATOM 539 N SER A 35 20.483 -6.184 3.183 1.00 0.00 N ATOM 540 CA SER A 35 21.319 -7.363 3.304 1.00 0.00 C ATOM 541 C SER A 35 20.462 -8.638 3.388 1.00 0.00 C ATOM 542 O SER A 35 20.874 -9.701 2.922 1.00 0.00 O ATOM 543 CB SER A 35 22.216 -7.217 4.545 1.00 0.00 C ATOM 544 OG SER A 35 23.115 -8.309 4.682 1.00 0.00 O ATOM 0 H SER A 35 20.218 -5.771 4.077 1.00 0.00 H new ATOM 0 HA SER A 35 21.946 -7.453 2.417 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.782 -6.288 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.593 -7.146 5.437 1.00 0.00 H new ATOM 0 HG SER A 35 23.668 -8.179 5.480 1.00 0.00 H new ATOM 550 N GLU A 36 19.273 -8.526 3.980 1.00 0.00 N ATOM 551 CA GLU A 36 18.397 -9.682 4.197 1.00 0.00 C ATOM 552 C GLU A 36 17.265 -9.765 3.171 1.00 0.00 C ATOM 553 O GLU A 36 16.469 -10.708 3.180 1.00 0.00 O ATOM 554 CB GLU A 36 17.785 -9.556 5.578 1.00 0.00 C ATOM 555 CG GLU A 36 18.801 -9.170 6.620 1.00 0.00 C ATOM 556 CD GLU A 36 19.328 -10.362 7.387 1.00 0.00 C ATOM 557 OE1 GLU A 36 18.537 -11.007 8.111 1.00 0.00 O ATOM 558 OE2 GLU A 36 20.532 -10.664 7.249 1.00 0.00 O ATOM 0 H GLU A 36 18.891 -7.643 4.320 1.00 0.00 H new ATOM 0 HA GLU A 36 19.000 -10.584 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.991 -8.810 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.324 -10.504 5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.633 -8.656 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.351 -8.464 7.318 1.00 0.00 H new ATOM 565 N TYR A 37 17.178 -8.772 2.307 1.00 0.00 N ATOM 566 CA TYR A 37 16.078 -8.680 1.356 1.00 0.00 C ATOM 567 C TYR A 37 16.581 -8.694 -0.082 1.00 0.00 C ATOM 568 O TYR A 37 17.784 -8.740 -0.335 1.00 0.00 O ATOM 569 CB TYR A 37 15.245 -7.414 1.612 1.00 0.00 C ATOM 570 CG TYR A 37 14.357 -7.485 2.843 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.897 -7.581 4.121 1.00 0.00 C ATOM 572 CD2 TYR A 37 12.972 -7.444 2.724 1.00 0.00 C ATOM 573 CE1 TYR A 37 14.088 -7.645 5.238 1.00 0.00 C ATOM 574 CE2 TYR A 37 12.156 -7.509 3.839 1.00 0.00 C ATOM 575 CZ TYR A 37 12.720 -7.605 5.093 1.00 0.00 C ATOM 576 OH TYR A 37 11.915 -7.666 6.208 1.00 0.00 O ATOM 0 H TYR A 37 17.857 -8.013 2.241 1.00 0.00 H new ATOM 0 HA TYR A 37 15.445 -9.555 1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.920 -6.564 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.621 -7.222 0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.970 -7.606 4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.526 -7.360 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.527 -7.726 6.221 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.082 -7.485 3.728 1.00 0.00 H new ATOM 0 HH TYR A 37 10.975 -7.625 5.935 1.00 0.00 H new ATOM 586 N THR A 38 15.643 -8.677 -1.016 1.00 0.00 N ATOM 587 CA THR A 38 15.947 -8.692 -2.436 1.00 0.00 C ATOM 588 C THR A 38 14.965 -7.780 -3.174 1.00 0.00 C ATOM 589 O THR A 38 13.908 -7.441 -2.644 1.00 0.00 O ATOM 590 CB THR A 38 15.866 -10.133 -2.991 1.00 0.00 C ATOM 591 OG1 THR A 38 16.632 -11.003 -2.153 1.00 0.00 O ATOM 592 CG2 THR A 38 16.404 -10.223 -4.415 1.00 0.00 C ATOM 0 H THR A 38 14.645 -8.652 -0.808 1.00 0.00 H new ATOM 0 HA THR A 38 16.962 -8.326 -2.589 1.00 0.00 H new ATOM 0 HB THR A 38 14.817 -10.428 -3.003 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.583 -11.918 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.329 -11.252 -4.768 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.820 -9.573 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.448 -9.909 -4.430 1.00 0.00 H new ATOM 600 N LYS A 39 15.307 -7.390 -4.389 1.00 0.00 N ATOM 601 CA LYS A 39 14.499 -6.442 -5.144 1.00 0.00 C ATOM 602 C LYS A 39 13.804 -7.165 -6.290 1.00 0.00 C ATOM 603 O LYS A 39 14.451 -7.594 -7.246 1.00 0.00 O ATOM 604 CB LYS A 39 15.382 -5.314 -5.690 1.00 0.00 C ATOM 605 CG LYS A 39 14.648 -4.003 -5.951 1.00 0.00 C ATOM 606 CD LYS A 39 15.594 -2.958 -6.529 1.00 0.00 C ATOM 607 CE LYS A 39 15.054 -1.542 -6.377 1.00 0.00 C ATOM 608 NZ LYS A 39 13.773 -1.336 -7.101 1.00 0.00 N ATOM 0 H LYS A 39 16.141 -7.715 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 39 13.747 -6.007 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.190 -5.128 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.843 -5.649 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.823 -4.175 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.214 -3.633 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.561 -3.031 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.763 -3.169 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.908 -1.325 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.794 -0.833 -6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.266 -0.528 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.968 -1.145 -8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.186 -2.191 -7.019 1.00 0.00 H new ATOM 622 N ILE A 40 12.489 -7.316 -6.187 1.00 0.00 N ATOM 623 CA ILE A 40 11.721 -8.022 -7.208 1.00 0.00 C ATOM 624 C ILE A 40 11.337 -7.096 -8.357 1.00 0.00 C ATOM 625 O ILE A 40 10.718 -7.525 -9.333 1.00 0.00 O ATOM 626 CB ILE A 40 10.443 -8.663 -6.633 1.00 0.00 C ATOM 627 CG1 ILE A 40 9.582 -7.607 -5.927 1.00 0.00 C ATOM 628 CG2 ILE A 40 10.799 -9.797 -5.682 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.245 -8.132 -5.448 1.00 0.00 C ATOM 0 H ILE A 40 11.933 -6.961 -5.410 1.00 0.00 H new ATOM 0 HA ILE A 40 12.371 -8.813 -7.582 1.00 0.00 H new ATOM 0 HB ILE A 40 9.862 -9.078 -7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.134 -7.212 -5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.412 -6.774 -6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.885 -10.239 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.366 -10.557 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.401 -9.408 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.693 -7.329 -4.959 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.673 -8.500 -6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.406 -8.945 -4.740 1.00 0.00 H new ATOM 641 N GLY A 41 11.688 -5.828 -8.222 1.00 0.00 N ATOM 642 CA GLY A 41 11.430 -4.866 -9.274 1.00 0.00 C ATOM 643 C GLY A 41 10.952 -3.542 -8.724 1.00 0.00 C ATOM 644 O GLY A 41 10.676 -3.424 -7.528 1.00 0.00 O ATOM 0 H GLY A 41 12.150 -5.445 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.339 -4.711 -9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.681 -5.267 -9.957 1.00 0.00 H new ATOM 648 N THR A 42 10.894 -2.539 -9.581 1.00 0.00 N ATOM 649 CA THR A 42 10.346 -1.251 -9.206 1.00 0.00 C ATOM 650 C THR A 42 8.976 -1.063 -9.845 1.00 0.00 C ATOM 651 O THR A 42 8.706 -1.600 -10.921 1.00 0.00 O ATOM 652 CB THR A 42 11.263 -0.104 -9.656 1.00 0.00 C ATOM 653 OG1 THR A 42 12.632 -0.452 -9.421 1.00 0.00 O ATOM 654 CG2 THR A 42 10.937 1.184 -8.916 1.00 0.00 C ATOM 0 H THR A 42 11.222 -2.594 -10.545 1.00 0.00 H new ATOM 0 HA THR A 42 10.261 -1.230 -8.120 1.00 0.00 H new ATOM 0 HB THR A 42 11.100 0.057 -10.722 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.211 0.283 -9.712 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.603 1.977 -9.256 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.903 1.467 -9.116 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.071 1.032 -7.845 1.00 0.00 H new ATOM 662 N ILE A 43 8.124 -0.303 -9.184 1.00 0.00 N ATOM 663 CA ILE A 43 6.817 0.035 -9.726 1.00 0.00 C ATOM 664 C ILE A 43 6.692 1.545 -9.814 1.00 0.00 C ATOM 665 O ILE A 43 7.504 2.267 -9.238 1.00 0.00 O ATOM 666 CB ILE A 43 5.657 -0.536 -8.877 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.745 -0.037 -7.433 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.668 -2.055 -8.921 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.656 -0.582 -6.533 1.00 0.00 C ATOM 0 H ILE A 43 8.313 0.096 -8.264 1.00 0.00 H new ATOM 0 HA ILE A 43 6.741 -0.416 -10.716 1.00 0.00 H new ATOM 0 HB ILE A 43 4.716 -0.184 -9.300 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.716 -0.312 -7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.695 1.052 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.846 -2.442 -8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.552 -2.390 -9.952 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.614 -2.424 -8.524 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.783 -0.185 -5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.681 -0.284 -6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.718 -1.670 -6.504 1.00 0.00 H new ATOM 681 N SER A 44 5.705 2.020 -10.543 1.00 0.00 N ATOM 682 CA SER A 44 5.527 3.443 -10.736 1.00 0.00 C ATOM 683 C SER A 44 4.053 3.810 -10.866 1.00 0.00 C ATOM 684 O SER A 44 3.187 2.933 -10.937 1.00 0.00 O ATOM 685 CB SER A 44 6.296 3.874 -11.980 1.00 0.00 C ATOM 686 OG SER A 44 6.313 2.837 -12.950 1.00 0.00 O ATOM 0 H SER A 44 5.011 1.439 -11.013 1.00 0.00 H new ATOM 0 HA SER A 44 5.914 3.967 -9.862 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.837 4.767 -12.405 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.317 4.139 -11.707 1.00 0.00 H new ATOM 0 HG SER A 44 6.810 3.136 -13.740 1.00 0.00 H new ATOM 692 N THR A 45 3.777 5.104 -10.884 1.00 0.00 N ATOM 693 CA THR A 45 2.420 5.592 -11.045 1.00 0.00 C ATOM 694 C THR A 45 2.150 5.942 -12.505 1.00 0.00 C ATOM 695 O THR A 45 2.941 6.638 -13.147 1.00 0.00 O ATOM 696 CB THR A 45 2.160 6.822 -10.151 1.00 0.00 C ATOM 697 OG1 THR A 45 3.290 7.703 -10.185 1.00 0.00 O ATOM 698 CG2 THR A 45 1.885 6.406 -8.715 1.00 0.00 C ATOM 0 H THR A 45 4.480 5.837 -10.788 1.00 0.00 H new ATOM 0 HA THR A 45 1.741 4.797 -10.738 1.00 0.00 H new ATOM 0 HB THR A 45 1.281 7.339 -10.538 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.115 8.481 -9.616 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.705 7.293 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.007 5.761 -8.685 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.746 5.865 -8.322 1.00 0.00 H new ATOM 706 N THR A 46 1.052 5.431 -13.037 1.00 0.00 N ATOM 707 CA THR A 46 0.679 5.684 -14.419 1.00 0.00 C ATOM 708 C THR A 46 -0.840 5.767 -14.553 1.00 0.00 C ATOM 709 O THR A 46 -1.569 4.960 -13.975 1.00 0.00 O ATOM 710 CB THR A 46 1.232 4.581 -15.355 1.00 0.00 C ATOM 711 OG1 THR A 46 2.649 4.450 -15.171 1.00 0.00 O ATOM 712 CG2 THR A 46 0.948 4.906 -16.811 1.00 0.00 C ATOM 0 H THR A 46 0.399 4.834 -12.529 1.00 0.00 H new ATOM 0 HA THR A 46 1.116 6.638 -14.715 1.00 0.00 H new ATOM 0 HB THR A 46 0.735 3.645 -15.101 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.993 3.750 -15.765 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.347 4.115 -17.445 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.129 4.984 -16.963 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.421 5.853 -17.071 1.00 0.00 H new ATOM 720 N GLY A 47 -1.313 6.759 -15.290 1.00 0.00 N ATOM 721 CA GLY A 47 -2.738 6.911 -15.497 1.00 0.00 C ATOM 722 C GLY A 47 -3.260 8.191 -14.891 1.00 0.00 C ATOM 723 O GLY A 47 -4.381 8.609 -15.171 1.00 0.00 O ATOM 0 H GLY A 47 -0.735 7.463 -15.749 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.953 6.901 -16.566 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.261 6.061 -15.058 1.00 0.00 H new ATOM 727 N GLU A 48 -2.423 8.802 -14.057 1.00 0.00 N ATOM 728 CA GLU A 48 -2.731 10.073 -13.395 1.00 0.00 C ATOM 729 C GLU A 48 -4.012 9.990 -12.566 1.00 0.00 C ATOM 730 O GLU A 48 -5.082 10.417 -12.999 1.00 0.00 O ATOM 731 CB GLU A 48 -2.827 11.202 -14.420 1.00 0.00 C ATOM 732 CG GLU A 48 -1.532 11.430 -15.174 1.00 0.00 C ATOM 733 CD GLU A 48 -1.658 12.486 -16.242 1.00 0.00 C ATOM 734 OE1 GLU A 48 -1.523 13.682 -15.920 1.00 0.00 O ATOM 735 OE2 GLU A 48 -1.883 12.126 -17.416 1.00 0.00 O ATOM 0 H GLU A 48 -1.504 8.429 -13.818 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.913 10.289 -12.708 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.620 10.972 -15.132 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.112 12.123 -13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.753 11.723 -14.470 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.213 10.493 -15.631 1.00 0.00 H new ATOM 742 N MET A 49 -3.891 9.417 -11.378 1.00 0.00 N ATOM 743 CA MET A 49 -5.015 9.297 -10.456 1.00 0.00 C ATOM 744 C MET A 49 -4.894 10.355 -9.364 1.00 0.00 C ATOM 745 O MET A 49 -4.147 11.323 -9.512 1.00 0.00 O ATOM 746 CB MET A 49 -5.036 7.898 -9.824 1.00 0.00 C ATOM 747 CG MET A 49 -5.187 6.743 -10.813 1.00 0.00 C ATOM 748 SD MET A 49 -6.849 6.601 -11.518 1.00 0.00 S ATOM 749 CE MET A 49 -6.804 7.809 -12.841 1.00 0.00 C ATOM 0 H MET A 49 -3.018 9.024 -11.026 1.00 0.00 H new ATOM 0 HA MET A 49 -5.944 9.447 -11.006 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.113 7.756 -9.262 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.856 7.852 -9.107 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.469 6.873 -11.622 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.935 5.810 -10.310 1.00 0.00 H new ATOM 0 HE1 MET A 49 -7.397 7.450 -13.682 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.215 8.754 -12.485 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.773 7.959 -13.161 1.00 0.00 H new ATOM 759 N SER A 50 -5.641 10.184 -8.288 1.00 0.00 N ATOM 760 CA SER A 50 -5.502 11.041 -7.122 1.00 0.00 C ATOM 761 C SER A 50 -4.349 10.525 -6.257 1.00 0.00 C ATOM 762 O SER A 50 -4.079 9.331 -6.267 1.00 0.00 O ATOM 763 CB SER A 50 -6.818 11.061 -6.340 1.00 0.00 C ATOM 764 OG SER A 50 -7.904 11.387 -7.198 1.00 0.00 O ATOM 0 H SER A 50 -6.352 9.458 -8.196 1.00 0.00 H new ATOM 0 HA SER A 50 -5.276 12.062 -7.428 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.990 10.087 -5.881 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.756 11.788 -5.531 1.00 0.00 H new ATOM 0 HG SER A 50 -8.737 11.394 -6.683 1.00 0.00 H new ATOM 770 N PRO A 51 -3.652 11.408 -5.515 1.00 0.00 N ATOM 771 CA PRO A 51 -2.454 11.048 -4.734 1.00 0.00 C ATOM 772 C PRO A 51 -2.625 9.790 -3.875 1.00 0.00 C ATOM 773 O PRO A 51 -1.819 8.861 -3.960 1.00 0.00 O ATOM 774 CB PRO A 51 -2.207 12.277 -3.843 1.00 0.00 C ATOM 775 CG PRO A 51 -3.393 13.167 -4.031 1.00 0.00 C ATOM 776 CD PRO A 51 -3.962 12.834 -5.380 1.00 0.00 C ATOM 0 HA PRO A 51 -1.624 10.806 -5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.099 11.986 -2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.287 12.787 -4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.131 13.002 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.103 14.217 -3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.035 13.022 -5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.502 13.426 -6.171 1.00 0.00 H new ATOM 784 N LEU A 52 -3.671 9.751 -3.061 1.00 0.00 N ATOM 785 CA LEU A 52 -3.893 8.621 -2.161 1.00 0.00 C ATOM 786 C LEU A 52 -4.412 7.404 -2.920 1.00 0.00 C ATOM 787 O LEU A 52 -4.206 6.266 -2.497 1.00 0.00 O ATOM 788 CB LEU A 52 -4.859 8.995 -1.030 1.00 0.00 C ATOM 789 CG LEU A 52 -4.305 9.972 0.014 1.00 0.00 C ATOM 790 CD1 LEU A 52 -2.910 9.557 0.459 1.00 0.00 C ATOM 791 CD2 LEU A 52 -4.302 11.400 -0.511 1.00 0.00 C ATOM 0 H LEU A 52 -4.378 10.484 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.931 8.363 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.756 9.431 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.166 8.082 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.964 9.938 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.539 10.265 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.950 8.560 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.241 9.548 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.904 12.068 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.680 11.458 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.321 11.699 -0.759 1.00 0.00 H new ATOM 803 N ASP A 53 -5.079 7.644 -4.041 1.00 0.00 N ATOM 804 CA ASP A 53 -5.609 6.553 -4.855 1.00 0.00 C ATOM 805 C ASP A 53 -4.487 5.907 -5.657 1.00 0.00 C ATOM 806 O ASP A 53 -4.481 4.699 -5.889 1.00 0.00 O ATOM 807 CB ASP A 53 -6.706 7.055 -5.793 1.00 0.00 C ATOM 808 CG ASP A 53 -7.389 5.922 -6.531 1.00 0.00 C ATOM 809 OD1 ASP A 53 -8.252 5.252 -5.926 1.00 0.00 O ATOM 810 OD2 ASP A 53 -7.081 5.704 -7.720 1.00 0.00 O ATOM 0 H ASP A 53 -5.266 8.577 -4.408 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.045 5.809 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.447 7.611 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.275 7.749 -6.515 1.00 0.00 H new ATOM 815 N ALA A 54 -3.528 6.725 -6.066 1.00 0.00 N ATOM 816 CA ALA A 54 -2.342 6.236 -6.749 1.00 0.00 C ATOM 817 C ALA A 54 -1.493 5.416 -5.790 1.00 0.00 C ATOM 818 O ALA A 54 -0.842 4.451 -6.184 1.00 0.00 O ATOM 819 CB ALA A 54 -1.539 7.393 -7.321 1.00 0.00 C ATOM 0 H ALA A 54 -3.550 7.736 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.651 5.598 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.655 7.007 -7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.153 7.946 -8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.232 8.057 -6.513 1.00 0.00 H new ATOM 825 N ARG A 55 -1.513 5.809 -4.522 1.00 0.00 N ATOM 826 CA ARG A 55 -0.858 5.044 -3.483 1.00 0.00 C ATOM 827 C ARG A 55 -1.506 3.672 -3.362 1.00 0.00 C ATOM 828 O ARG A 55 -0.814 2.670 -3.254 1.00 0.00 O ATOM 829 CB ARG A 55 -0.895 5.794 -2.149 1.00 0.00 C ATOM 830 CG ARG A 55 0.162 6.883 -2.049 1.00 0.00 C ATOM 831 CD ARG A 55 0.200 7.502 -0.662 1.00 0.00 C ATOM 832 NE ARG A 55 1.307 8.448 -0.518 1.00 0.00 N ATOM 833 CZ ARG A 55 1.618 9.063 0.620 1.00 0.00 C ATOM 834 NH1 ARG A 55 0.900 8.854 1.714 1.00 0.00 N ATOM 835 NH2 ARG A 55 2.649 9.894 0.657 1.00 0.00 N ATOM 0 H ARG A 55 -1.978 6.655 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 55 0.189 4.908 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.881 6.239 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.754 5.083 -1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.140 6.464 -2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.042 7.658 -2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.743 8.013 -0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.296 6.714 0.085 1.00 0.00 H new ATOM 0 HE ARG A 55 1.875 8.648 -1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.103 8.218 1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.144 9.329 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.201 10.060 -0.185 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.891 10.368 1.527 1.00 0.00 H new ATOM 849 N GLU A 56 -2.836 3.637 -3.414 1.00 0.00 N ATOM 850 CA GLU A 56 -3.575 2.373 -3.428 1.00 0.00 C ATOM 851 C GLU A 56 -3.086 1.478 -4.556 1.00 0.00 C ATOM 852 O GLU A 56 -2.882 0.281 -4.364 1.00 0.00 O ATOM 853 CB GLU A 56 -5.080 2.624 -3.581 1.00 0.00 C ATOM 854 CG GLU A 56 -5.826 2.778 -2.266 1.00 0.00 C ATOM 855 CD GLU A 56 -6.029 1.456 -1.551 1.00 0.00 C ATOM 856 OE1 GLU A 56 -6.662 0.549 -2.135 1.00 0.00 O ATOM 857 OE2 GLU A 56 -5.582 1.326 -0.397 1.00 0.00 O ATOM 0 H GLU A 56 -3.425 4.469 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.398 1.872 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.227 3.525 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.519 1.797 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.273 3.457 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.796 3.237 -2.455 1.00 0.00 H new ATOM 864 N ASP A 57 -2.866 2.071 -5.723 1.00 0.00 N ATOM 865 CA ASP A 57 -2.405 1.319 -6.882 1.00 0.00 C ATOM 866 C ASP A 57 -1.034 0.732 -6.607 1.00 0.00 C ATOM 867 O ASP A 57 -0.786 -0.439 -6.865 1.00 0.00 O ATOM 868 CB ASP A 57 -2.347 2.212 -8.123 1.00 0.00 C ATOM 869 CG ASP A 57 -1.713 1.518 -9.316 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.385 0.682 -9.953 1.00 0.00 O ATOM 871 OD2 ASP A 57 -0.542 1.821 -9.637 1.00 0.00 O ATOM 0 H ASP A 57 -2.999 3.068 -5.891 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.113 0.512 -7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.357 2.528 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.782 3.114 -7.890 1.00 0.00 H new ATOM 876 N LEU A 58 -0.168 1.555 -6.041 1.00 0.00 N ATOM 877 CA LEU A 58 1.199 1.158 -5.742 1.00 0.00 C ATOM 878 C LEU A 58 1.237 0.077 -4.668 1.00 0.00 C ATOM 879 O LEU A 58 1.917 -0.941 -4.814 1.00 0.00 O ATOM 880 CB LEU A 58 1.999 2.379 -5.284 1.00 0.00 C ATOM 881 CG LEU A 58 2.330 3.397 -6.375 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.181 4.524 -5.810 1.00 0.00 C ATOM 883 CD2 LEU A 58 3.036 2.722 -7.537 1.00 0.00 C ATOM 0 H LEU A 58 -0.391 2.514 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 58 1.644 0.747 -6.648 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.438 2.885 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.932 2.034 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 58 1.397 3.824 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.408 5.240 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.636 5.026 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.110 4.115 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.264 3.462 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.962 2.267 -7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.390 1.951 -7.957 1.00 0.00 H new ATOM 895 N ILE A 59 0.486 0.300 -3.603 1.00 0.00 N ATOM 896 CA ILE A 59 0.462 -0.607 -2.464 1.00 0.00 C ATOM 897 C ILE A 59 -0.106 -1.967 -2.858 1.00 0.00 C ATOM 898 O ILE A 59 0.444 -3.010 -2.491 1.00 0.00 O ATOM 899 CB ILE A 59 -0.364 0.003 -1.305 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.301 1.293 -0.810 1.00 0.00 C ATOM 901 CG2 ILE A 59 -0.517 -0.989 -0.159 1.00 0.00 C ATOM 902 CD1 ILE A 59 -0.642 2.248 -0.103 1.00 0.00 C ATOM 0 H ILE A 59 -0.123 1.112 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 59 1.488 -0.752 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.360 0.237 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.113 1.032 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.750 1.806 -1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.101 -0.534 0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.027 -1.883 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.468 -1.261 0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.092 3.134 0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.441 2.542 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.072 1.756 0.769 1.00 0.00 H new ATOM 914 N LYS A 60 -1.191 -1.958 -3.623 1.00 0.00 N ATOM 915 CA LYS A 60 -1.825 -3.197 -4.042 1.00 0.00 C ATOM 916 C LYS A 60 -0.992 -3.899 -5.110 1.00 0.00 C ATOM 917 O LYS A 60 -0.847 -5.114 -5.080 1.00 0.00 O ATOM 918 CB LYS A 60 -3.245 -2.939 -4.550 1.00 0.00 C ATOM 919 CG LYS A 60 -4.149 -2.289 -3.512 1.00 0.00 C ATOM 920 CD LYS A 60 -4.195 -3.090 -2.219 1.00 0.00 C ATOM 921 CE LYS A 60 -5.021 -2.384 -1.156 1.00 0.00 C ATOM 922 NZ LYS A 60 -6.432 -2.215 -1.585 1.00 0.00 N ATOM 0 H LYS A 60 -1.646 -1.111 -3.963 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.888 -3.852 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.197 -2.299 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.687 -3.884 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.794 -1.280 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.157 -2.194 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.618 -4.075 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.181 -3.246 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.988 -2.956 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.585 -1.408 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.066 -2.473 -0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.597 -1.224 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.623 -2.830 -2.402 1.00 0.00 H new ATOM 936 N LYS A 61 -0.433 -3.129 -6.040 1.00 0.00 N ATOM 937 CA LYS A 61 0.404 -3.677 -7.104 1.00 0.00 C ATOM 938 C LYS A 61 1.636 -4.363 -6.527 1.00 0.00 C ATOM 939 O LYS A 61 2.061 -5.409 -7.017 1.00 0.00 O ATOM 940 CB LYS A 61 0.820 -2.553 -8.047 1.00 0.00 C ATOM 941 CG LYS A 61 0.719 -2.921 -9.506 1.00 0.00 C ATOM 942 CD LYS A 61 0.557 -1.685 -10.380 1.00 0.00 C ATOM 943 CE LYS A 61 1.652 -0.657 -10.138 1.00 0.00 C ATOM 944 NZ LYS A 61 1.428 0.578 -10.939 1.00 0.00 N ATOM 0 H LYS A 61 -0.546 -2.116 -6.078 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.169 -4.423 -7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.195 -1.680 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.847 -2.264 -7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.613 -3.467 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.129 -3.589 -9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.566 -1.981 -11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.414 -1.230 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.687 -0.403 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.620 -1.088 -10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.210 1.244 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.386 0.334 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.532 1.020 -10.652 1.00 0.00 H new ATOM 958 N ALA A 62 2.206 -3.763 -5.489 1.00 0.00 N ATOM 959 CA ALA A 62 3.300 -4.386 -4.754 1.00 0.00 C ATOM 960 C ALA A 62 2.869 -5.741 -4.197 1.00 0.00 C ATOM 961 O ALA A 62 3.619 -6.716 -4.248 1.00 0.00 O ATOM 962 CB ALA A 62 3.762 -3.475 -3.629 1.00 0.00 C ATOM 0 H ALA A 62 1.929 -2.846 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 62 4.132 -4.545 -5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.579 -3.951 -3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.106 -2.528 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.933 -3.291 -2.946 1.00 0.00 H new ATOM 968 N ASP A 63 1.652 -5.792 -3.666 1.00 0.00 N ATOM 969 CA ASP A 63 1.083 -7.038 -3.160 1.00 0.00 C ATOM 970 C ASP A 63 0.814 -8.019 -4.300 1.00 0.00 C ATOM 971 O ASP A 63 0.993 -9.229 -4.148 1.00 0.00 O ATOM 972 CB ASP A 63 -0.213 -6.761 -2.397 1.00 0.00 C ATOM 973 CG ASP A 63 -0.942 -8.030 -2.005 1.00 0.00 C ATOM 974 OD1 ASP A 63 -0.510 -8.695 -1.042 1.00 0.00 O ATOM 975 OD2 ASP A 63 -1.948 -8.370 -2.666 1.00 0.00 O ATOM 0 H ASP A 63 1.038 -4.983 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 63 1.808 -7.487 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.014 -6.185 -1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.868 -6.146 -3.013 1.00 0.00 H new ATOM 980 N GLU A 64 0.386 -7.483 -5.436 1.00 0.00 N ATOM 981 CA GLU A 64 0.120 -8.275 -6.626 1.00 0.00 C ATOM 982 C GLU A 64 1.340 -9.085 -7.047 1.00 0.00 C ATOM 983 O GLU A 64 1.214 -10.248 -7.436 1.00 0.00 O ATOM 984 CB GLU A 64 -0.327 -7.354 -7.760 1.00 0.00 C ATOM 985 CG GLU A 64 -1.678 -6.723 -7.517 1.00 0.00 C ATOM 986 CD GLU A 64 -2.802 -7.736 -7.504 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.088 -8.328 -8.565 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.408 -7.944 -6.430 1.00 0.00 O ATOM 0 H GLU A 64 0.214 -6.485 -5.556 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.675 -8.984 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.415 -6.567 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.361 -7.923 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.661 -6.193 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.872 -5.981 -8.291 1.00 0.00 H new ATOM 995 N LYS A 65 2.515 -8.478 -6.964 1.00 0.00 N ATOM 996 CA LYS A 65 3.741 -9.170 -7.324 1.00 0.00 C ATOM 997 C LYS A 65 4.295 -9.929 -6.121 1.00 0.00 C ATOM 998 O LYS A 65 5.002 -10.923 -6.277 1.00 0.00 O ATOM 999 CB LYS A 65 4.775 -8.180 -7.867 1.00 0.00 C ATOM 1000 CG LYS A 65 5.876 -8.844 -8.677 1.00 0.00 C ATOM 1001 CD LYS A 65 6.761 -7.824 -9.371 1.00 0.00 C ATOM 1002 CE LYS A 65 7.687 -8.494 -10.374 1.00 0.00 C ATOM 1003 NZ LYS A 65 8.664 -9.407 -9.721 1.00 0.00 N ATOM 0 H LYS A 65 2.644 -7.515 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 65 3.517 -9.892 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.269 -7.443 -8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.223 -7.639 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.485 -9.466 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.431 -9.505 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.141 -7.087 -9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.351 -7.286 -8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.093 -9.057 -11.094 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.226 -7.730 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.814 -10.242 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.568 -8.910 -9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.294 -9.708 -8.797 1.00 0.00 H new ATOM 1017 N GLY A 66 3.961 -9.459 -4.923 1.00 0.00 N ATOM 1018 CA GLY A 66 4.375 -10.146 -3.715 1.00 0.00 C ATOM 1019 C GLY A 66 5.646 -9.568 -3.122 1.00 0.00 C ATOM 1020 O GLY A 66 6.741 -10.050 -3.404 1.00 0.00 O ATOM 0 H GLY A 66 3.411 -8.614 -4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.575 -10.089 -2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.529 -11.202 -3.937 1.00 0.00 H new ATOM 1024 N ALA A 67 5.498 -8.539 -2.297 1.00 0.00 N ATOM 1025 CA ALA A 67 6.637 -7.884 -1.663 1.00 0.00 C ATOM 1026 C ALA A 67 6.477 -7.875 -0.150 1.00 0.00 C ATOM 1027 O ALA A 67 5.375 -8.047 0.366 1.00 0.00 O ATOM 1028 CB ALA A 67 6.793 -6.462 -2.185 1.00 0.00 C ATOM 0 H ALA A 67 4.594 -8.137 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 67 7.536 -8.447 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.647 -5.989 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.953 -6.486 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.890 -5.893 -1.965 1.00 0.00 H new ATOM 1034 N ASP A 68 7.584 -7.686 0.549 1.00 0.00 N ATOM 1035 CA ASP A 68 7.575 -7.607 2.005 1.00 0.00 C ATOM 1036 C ASP A 68 7.737 -6.164 2.455 1.00 0.00 C ATOM 1037 O ASP A 68 7.160 -5.734 3.448 1.00 0.00 O ATOM 1038 CB ASP A 68 8.702 -8.458 2.601 1.00 0.00 C ATOM 1039 CG ASP A 68 8.402 -9.943 2.592 1.00 0.00 C ATOM 1040 OD1 ASP A 68 7.612 -10.403 3.442 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.974 -10.661 1.744 1.00 0.00 O ATOM 0 H ASP A 68 8.508 -7.583 0.130 1.00 0.00 H new ATOM 0 HA ASP A 68 6.618 -7.991 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.619 -8.277 2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.886 -8.138 3.627 1.00 0.00 H new ATOM 1046 N VAL A 69 8.536 -5.417 1.717 1.00 0.00 N ATOM 1047 CA VAL A 69 8.778 -4.015 2.032 1.00 0.00 C ATOM 1048 C VAL A 69 8.470 -3.145 0.825 1.00 0.00 C ATOM 1049 O VAL A 69 8.727 -3.540 -0.310 1.00 0.00 O ATOM 1050 CB VAL A 69 10.242 -3.776 2.484 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.522 -2.299 2.713 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.547 -4.567 3.743 1.00 0.00 C ATOM 0 H VAL A 69 9.031 -5.755 0.892 1.00 0.00 H new ATOM 0 HA VAL A 69 8.118 -3.745 2.857 1.00 0.00 H new ATOM 0 HB VAL A 69 10.894 -4.121 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.557 -2.170 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.353 -1.749 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.856 -1.918 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.579 -4.387 4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.875 -4.253 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.407 -5.630 3.548 1.00 0.00 H new ATOM 1062 N VAL A 70 7.896 -1.976 1.065 1.00 0.00 N ATOM 1063 CA VAL A 70 7.676 -1.014 0.001 1.00 0.00 C ATOM 1064 C VAL A 70 8.326 0.317 0.362 1.00 0.00 C ATOM 1065 O VAL A 70 8.345 0.716 1.529 1.00 0.00 O ATOM 1066 CB VAL A 70 6.172 -0.789 -0.293 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.530 -2.059 -0.820 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.432 -0.302 0.943 1.00 0.00 C ATOM 0 H VAL A 70 7.576 -1.673 1.985 1.00 0.00 H new ATOM 0 HA VAL A 70 8.130 -1.425 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 70 6.100 -0.016 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.474 -1.877 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.026 -2.362 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.628 -2.851 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.379 -0.154 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.522 -1.044 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.864 0.641 1.277 1.00 0.00 H new ATOM 1078 N VAL A 71 8.876 0.987 -0.632 1.00 0.00 N ATOM 1079 CA VAL A 71 9.465 2.301 -0.440 1.00 0.00 C ATOM 1080 C VAL A 71 8.863 3.279 -1.439 1.00 0.00 C ATOM 1081 O VAL A 71 9.125 3.195 -2.637 1.00 0.00 O ATOM 1082 CB VAL A 71 11.005 2.280 -0.610 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.598 3.663 -0.354 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.643 1.246 0.314 1.00 0.00 C ATOM 0 H VAL A 71 8.928 0.640 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 71 9.246 2.614 0.581 1.00 0.00 H new ATOM 0 HB VAL A 71 11.224 1.997 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.680 3.624 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.176 4.376 -1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.361 3.978 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.724 1.252 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.409 1.491 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.252 0.256 0.078 1.00 0.00 H new ATOM 1094 N LEU A 72 8.028 4.182 -0.949 1.00 0.00 N ATOM 1095 CA LEU A 72 7.376 5.152 -1.812 1.00 0.00 C ATOM 1096 C LEU A 72 8.358 6.236 -2.242 1.00 0.00 C ATOM 1097 O LEU A 72 8.521 7.249 -1.562 1.00 0.00 O ATOM 1098 CB LEU A 72 6.165 5.777 -1.107 1.00 0.00 C ATOM 1099 CG LEU A 72 5.056 4.801 -0.712 1.00 0.00 C ATOM 1100 CD1 LEU A 72 3.924 5.540 -0.017 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.534 4.055 -1.932 1.00 0.00 C ATOM 0 H LEU A 72 7.787 4.263 0.039 1.00 0.00 H new ATOM 0 HA LEU A 72 7.025 4.631 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.513 6.287 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.739 6.538 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 72 5.473 4.071 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.142 4.832 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.305 6.027 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.512 6.291 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.746 3.366 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.134 4.769 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.348 3.495 -2.392 1.00 0.00 H new ATOM 1113 N THR A 73 9.024 6.002 -3.367 1.00 0.00 N ATOM 1114 CA THR A 73 9.974 6.956 -3.916 1.00 0.00 C ATOM 1115 C THR A 73 9.264 8.065 -4.683 1.00 0.00 C ATOM 1116 O THR A 73 9.897 8.975 -5.214 1.00 0.00 O ATOM 1117 CB THR A 73 10.978 6.258 -4.847 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.464 4.982 -5.270 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.321 6.078 -4.157 1.00 0.00 C ATOM 0 H THR A 73 8.920 5.151 -3.919 1.00 0.00 H new ATOM 0 HA THR A 73 10.510 7.396 -3.075 1.00 0.00 H new ATOM 0 HB THR A 73 11.124 6.889 -5.724 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.201 4.341 -5.344 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.015 5.582 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.720 7.053 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.192 5.470 -3.262 1.00 0.00 H new ATOM 1127 N SER A 74 7.950 7.953 -4.762 1.00 0.00 N ATOM 1128 CA SER A 74 7.118 8.973 -5.378 1.00 0.00 C ATOM 1129 C SER A 74 7.271 10.307 -4.651 1.00 0.00 C ATOM 1130 O SER A 74 6.757 10.494 -3.548 1.00 0.00 O ATOM 1131 CB SER A 74 5.655 8.528 -5.382 1.00 0.00 C ATOM 1132 OG SER A 74 5.488 7.332 -6.124 1.00 0.00 O ATOM 0 H SER A 74 7.429 7.153 -4.401 1.00 0.00 H new ATOM 0 HA SER A 74 7.444 9.110 -6.409 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.315 8.375 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.033 9.315 -5.809 1.00 0.00 H new ATOM 0 HG SER A 74 6.155 6.673 -5.837 1.00 0.00 H new ATOM 1138 N GLY A 75 8.005 11.214 -5.276 1.00 0.00 N ATOM 1139 CA GLY A 75 8.270 12.510 -4.675 1.00 0.00 C ATOM 1140 C GLY A 75 7.070 13.437 -4.697 1.00 0.00 C ATOM 1141 O GLY A 75 6.390 13.608 -3.684 1.00 0.00 O ATOM 0 H GLY A 75 8.426 11.077 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.590 12.366 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.097 12.985 -5.202 1.00 0.00 H new ATOM 1145 N GLN A 76 6.795 14.018 -5.859 1.00 0.00 N ATOM 1146 CA GLN A 76 5.734 15.008 -6.002 1.00 0.00 C ATOM 1147 C GLN A 76 4.388 14.314 -6.116 1.00 0.00 C ATOM 1148 O GLN A 76 3.745 14.311 -7.167 1.00 0.00 O ATOM 1149 CB GLN A 76 5.990 15.880 -7.226 1.00 0.00 C ATOM 1150 CG GLN A 76 5.206 17.181 -7.240 1.00 0.00 C ATOM 1151 CD GLN A 76 5.607 18.113 -6.111 1.00 0.00 C ATOM 1152 OE1 GLN A 76 6.752 18.106 -5.656 1.00 0.00 O ATOM 1153 NE2 GLN A 76 4.674 18.937 -5.668 1.00 0.00 N ATOM 0 H GLN A 76 7.298 13.818 -6.724 1.00 0.00 H new ATOM 0 HA GLN A 76 5.724 15.647 -5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.054 16.110 -7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.743 15.310 -8.122 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.360 17.684 -8.194 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.141 16.961 -7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.738 18.911 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.890 19.599 -4.923 1.00 0.00 H new ATOM 1162 N THR A 77 3.994 13.707 -5.025 1.00 0.00 N ATOM 1163 CA THR A 77 2.765 12.945 -4.966 1.00 0.00 C ATOM 1164 C THR A 77 1.605 13.799 -4.484 1.00 0.00 C ATOM 1165 O THR A 77 1.256 13.798 -3.304 1.00 0.00 O ATOM 1166 CB THR A 77 2.882 11.716 -4.055 1.00 0.00 C ATOM 1167 OG1 THR A 77 4.080 10.992 -4.358 1.00 0.00 O ATOM 1168 CG2 THR A 77 1.674 10.817 -4.248 1.00 0.00 C ATOM 0 H THR A 77 4.515 13.725 -4.149 1.00 0.00 H new ATOM 0 HA THR A 77 2.576 12.608 -5.985 1.00 0.00 H new ATOM 0 HB THR A 77 2.922 12.046 -3.017 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.774 11.220 -3.705 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.762 9.946 -3.599 1.00 0.00 H new ATOM 0 HG22 THR A 77 0.767 11.367 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.625 10.492 -5.287 1.00 0.00 H new ATOM 1176 N GLU A 78 1.055 14.562 -5.400 1.00 0.00 N ATOM 1177 CA GLU A 78 -0.180 15.292 -5.146 1.00 0.00 C ATOM 1178 C GLU A 78 -0.880 15.629 -6.455 1.00 0.00 C ATOM 1179 O GLU A 78 -2.074 15.384 -6.617 1.00 0.00 O ATOM 1180 CB GLU A 78 0.095 16.570 -4.351 1.00 0.00 C ATOM 1181 CG GLU A 78 -1.171 17.337 -4.001 1.00 0.00 C ATOM 1182 CD GLU A 78 -0.908 18.544 -3.130 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -0.407 19.561 -3.650 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -1.216 18.486 -1.923 1.00 0.00 O ATOM 0 H GLU A 78 1.440 14.698 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.834 14.652 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.623 16.313 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.756 17.216 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.660 17.659 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.864 16.670 -3.488 1.00 0.00 H new ATOM 1191 N ASN A 79 -0.127 16.177 -7.395 1.00 0.00 N ATOM 1192 CA ASN A 79 -0.690 16.621 -8.652 1.00 0.00 C ATOM 1193 C ASN A 79 -0.116 15.841 -9.828 1.00 0.00 C ATOM 1194 O ASN A 79 -0.731 14.897 -10.320 1.00 0.00 O ATOM 1195 CB ASN A 79 -0.421 18.109 -8.837 1.00 0.00 C ATOM 1196 CG ASN A 79 -1.290 18.689 -9.916 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -0.915 18.746 -11.087 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -2.466 19.123 -9.522 1.00 0.00 N ATOM 0 H ASN A 79 0.879 16.324 -7.307 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.765 16.441 -8.624 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.603 18.633 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.628 18.263 -9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.113 19.529 -10.198 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.732 19.054 -8.540 1.00 0.00 H new ATOM 1205 N LYS A 80 1.084 16.220 -10.256 1.00 0.00 N ATOM 1206 CA LYS A 80 1.729 15.594 -11.407 1.00 0.00 C ATOM 1207 C LYS A 80 2.412 14.292 -11.002 1.00 0.00 C ATOM 1208 O LYS A 80 3.594 14.071 -11.279 1.00 0.00 O ATOM 1209 CB LYS A 80 2.737 16.559 -12.033 1.00 0.00 C ATOM 1210 CG LYS A 80 3.814 17.029 -11.070 1.00 0.00 C ATOM 1211 CD LYS A 80 4.714 18.074 -11.713 1.00 0.00 C ATOM 1212 CE LYS A 80 5.819 18.526 -10.772 1.00 0.00 C ATOM 1213 NZ LYS A 80 6.648 19.605 -11.374 1.00 0.00 N ATOM 0 H LYS A 80 1.633 16.962 -9.821 1.00 0.00 H new ATOM 0 HA LYS A 80 0.965 15.358 -12.147 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.212 16.072 -12.885 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.203 17.428 -12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.349 17.447 -10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.414 16.178 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.156 17.664 -12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.116 18.935 -12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.380 18.882 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.454 17.676 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.391 19.887 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.087 19.258 -12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.046 20.426 -11.590 1.00 0.00 H new ATOM 1227 N ILE A 81 1.652 13.441 -10.340 1.00 0.00 N ATOM 1228 CA ILE A 81 2.158 12.168 -9.868 1.00 0.00 C ATOM 1229 C ILE A 81 2.693 11.316 -11.013 1.00 0.00 C ATOM 1230 O ILE A 81 1.972 10.956 -11.946 1.00 0.00 O ATOM 1231 CB ILE A 81 1.095 11.369 -9.088 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -0.185 11.218 -9.909 1.00 0.00 C ATOM 1233 CG2 ILE A 81 0.795 12.043 -7.757 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -1.215 10.320 -9.262 1.00 0.00 C ATOM 0 H ILE A 81 0.672 13.612 -10.115 1.00 0.00 H new ATOM 0 HA ILE A 81 2.977 12.404 -9.188 1.00 0.00 H new ATOM 0 HB ILE A 81 1.494 10.373 -8.893 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.623 12.203 -10.069 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.068 10.819 -10.891 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.043 11.467 -7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.707 12.095 -7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.420 13.051 -7.936 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.097 10.259 -9.900 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.795 9.323 -9.127 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.497 10.729 -8.292 1.00 0.00 H new ATOM 1246 N HIS A 82 3.979 11.040 -10.947 1.00 0.00 N ATOM 1247 CA HIS A 82 4.638 10.173 -11.908 1.00 0.00 C ATOM 1248 C HIS A 82 5.828 9.530 -11.224 1.00 0.00 C ATOM 1249 O HIS A 82 6.804 9.135 -11.861 1.00 0.00 O ATOM 1250 CB HIS A 82 5.085 10.969 -13.139 1.00 0.00 C ATOM 1251 CG HIS A 82 5.116 10.149 -14.394 1.00 0.00 C ATOM 1252 ND1 HIS A 82 4.068 10.116 -15.290 1.00 0.00 N ATOM 1253 CD2 HIS A 82 6.064 9.325 -14.898 1.00 0.00 C ATOM 1254 CE1 HIS A 82 4.368 9.305 -16.286 1.00 0.00 C ATOM 1255 NE2 HIS A 82 5.571 8.816 -16.073 1.00 0.00 N ATOM 0 H HIS A 82 4.599 11.409 -10.226 1.00 0.00 H new ATOM 0 HA HIS A 82 3.946 9.404 -12.252 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.411 11.814 -13.281 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.078 11.380 -12.957 1.00 0.00 H new ATOM 0 HD2 HIS A 82 7.027 9.109 -14.458 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.735 9.081 -17.132 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.060 8.162 -16.685 1.00 0.00 H new ATOM 1264 N GLY A 83 5.721 9.423 -9.905 1.00 0.00 N ATOM 1265 CA GLY A 83 6.798 8.888 -9.109 1.00 0.00 C ATOM 1266 C GLY A 83 6.821 7.377 -9.121 1.00 0.00 C ATOM 1267 O GLY A 83 6.040 6.734 -9.829 1.00 0.00 O ATOM 0 H GLY A 83 4.897 9.702 -9.373 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.748 9.267 -9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.698 9.240 -8.082 1.00 0.00 H new ATOM 1271 N THR A 84 7.698 6.807 -8.321 1.00 0.00 N ATOM 1272 CA THR A 84 7.891 5.367 -8.313 1.00 0.00 C ATOM 1273 C THR A 84 7.718 4.802 -6.915 1.00 0.00 C ATOM 1274 O THR A 84 7.478 5.538 -5.958 1.00 0.00 O ATOM 1275 CB THR A 84 9.302 4.995 -8.822 1.00 0.00 C ATOM 1276 OG1 THR A 84 10.298 5.699 -8.066 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.461 5.326 -10.299 1.00 0.00 C ATOM 0 H THR A 84 8.290 7.317 -7.666 1.00 0.00 H new ATOM 0 HA THR A 84 7.138 4.940 -8.975 1.00 0.00 H new ATOM 0 HB THR A 84 9.432 3.920 -8.693 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.323 5.348 -7.151 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.464 5.053 -10.627 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.725 4.768 -10.878 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.308 6.394 -10.451 1.00 0.00 H new ATOM 1285 N ALA A 85 7.817 3.495 -6.814 1.00 0.00 N ATOM 1286 CA ALA A 85 7.929 2.839 -5.534 1.00 0.00 C ATOM 1287 C ALA A 85 8.841 1.640 -5.674 1.00 0.00 C ATOM 1288 O ALA A 85 8.695 0.840 -6.602 1.00 0.00 O ATOM 1289 CB ALA A 85 6.562 2.429 -5.007 1.00 0.00 C ATOM 0 H ALA A 85 7.822 2.861 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 85 8.356 3.533 -4.810 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.677 1.937 -4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.936 3.314 -4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.092 1.742 -5.711 1.00 0.00 H new ATOM 1295 N ASP A 86 9.782 1.520 -4.762 1.00 0.00 N ATOM 1296 CA ASP A 86 10.728 0.432 -4.786 1.00 0.00 C ATOM 1297 C ASP A 86 10.335 -0.597 -3.760 1.00 0.00 C ATOM 1298 O ASP A 86 10.295 -0.313 -2.568 1.00 0.00 O ATOM 1299 CB ASP A 86 12.134 0.935 -4.499 1.00 0.00 C ATOM 1300 CG ASP A 86 12.687 1.792 -5.617 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.296 1.224 -6.548 1.00 0.00 O ATOM 1302 OD2 ASP A 86 12.518 3.031 -5.565 1.00 0.00 O ATOM 0 H ASP A 86 9.910 2.172 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 86 10.720 -0.018 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.127 1.512 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.795 0.083 -4.339 1.00 0.00 H new ATOM 1307 N ILE A 87 10.025 -1.786 -4.218 1.00 0.00 N ATOM 1308 CA ILE A 87 9.573 -2.823 -3.323 1.00 0.00 C ATOM 1309 C ILE A 87 10.646 -3.882 -3.144 1.00 0.00 C ATOM 1310 O ILE A 87 11.477 -4.108 -4.030 1.00 0.00 O ATOM 1311 CB ILE A 87 8.261 -3.459 -3.819 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.437 -4.059 -5.218 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.152 -2.417 -3.831 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.160 -4.629 -5.793 1.00 0.00 C ATOM 0 H ILE A 87 10.077 -2.058 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 87 9.375 -2.363 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 87 7.990 -4.264 -3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.817 -3.290 -5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.190 -4.846 -5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.227 -2.874 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.005 -2.031 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.428 -1.599 -4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.358 -5.037 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.790 -5.421 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.411 -3.841 -5.868 1.00 0.00 H new ATOM 1326 N TYR A 88 10.623 -4.524 -1.994 1.00 0.00 N ATOM 1327 CA TYR A 88 11.634 -5.490 -1.631 1.00 0.00 C ATOM 1328 C TYR A 88 10.993 -6.713 -1.012 1.00 0.00 C ATOM 1329 O TYR A 88 9.998 -6.619 -0.296 1.00 0.00 O ATOM 1330 CB TYR A 88 12.644 -4.868 -0.662 1.00 0.00 C ATOM 1331 CG TYR A 88 13.472 -3.767 -1.287 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.013 -2.456 -1.315 1.00 0.00 C ATOM 1333 CD2 TYR A 88 14.702 -4.045 -1.870 1.00 0.00 C ATOM 1334 CE1 TYR A 88 13.756 -1.451 -1.902 1.00 0.00 C ATOM 1335 CE2 TYR A 88 15.451 -3.045 -2.460 1.00 0.00 C ATOM 1336 CZ TYR A 88 14.974 -1.751 -2.476 1.00 0.00 C ATOM 1337 OH TYR A 88 15.715 -0.751 -3.067 1.00 0.00 O ATOM 0 H TYR A 88 9.902 -4.389 -1.286 1.00 0.00 H new ATOM 0 HA TYR A 88 12.164 -5.794 -2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.111 -4.467 0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.309 -5.648 -0.291 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.058 -2.219 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.078 -5.057 -1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.386 -0.436 -1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.407 -3.276 -2.907 1.00 0.00 H new ATOM 0 HH TYR A 88 16.547 -1.127 -3.423 1.00 0.00 H new ATOM 1347 N LYS A 89 11.559 -7.854 -1.314 1.00 0.00 N ATOM 1348 CA LYS A 89 11.076 -9.117 -0.823 1.00 0.00 C ATOM 1349 C LYS A 89 12.086 -9.686 0.161 1.00 0.00 C ATOM 1350 O LYS A 89 13.289 -9.585 -0.063 1.00 0.00 O ATOM 1351 CB LYS A 89 10.904 -10.058 -2.016 1.00 0.00 C ATOM 1352 CG LYS A 89 10.580 -11.485 -1.641 1.00 0.00 C ATOM 1353 CD LYS A 89 9.137 -11.621 -1.197 1.00 0.00 C ATOM 1354 CE LYS A 89 8.874 -12.971 -0.564 1.00 0.00 C ATOM 1355 NZ LYS A 89 9.493 -13.088 0.784 1.00 0.00 N ATOM 0 H LYS A 89 12.379 -7.931 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 89 10.121 -8.997 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.109 -9.673 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.820 -10.049 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.764 -12.139 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.242 -11.813 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.899 -10.832 -0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.478 -11.486 -2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.799 -13.130 -0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.265 -13.756 -1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.190 -13.978 1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.529 -13.082 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.193 -12.286 1.375 1.00 0.00 H new ATOM 1369 N LYS A 90 11.611 -10.260 1.251 1.00 0.00 N ATOM 1370 CA LYS A 90 12.505 -10.863 2.225 1.00 0.00 C ATOM 1371 C LYS A 90 13.004 -12.190 1.686 1.00 0.00 C ATOM 1372 O LYS A 90 12.255 -12.925 1.036 1.00 0.00 O ATOM 1373 CB LYS A 90 11.788 -11.046 3.565 1.00 0.00 C ATOM 1374 CG LYS A 90 12.714 -11.075 4.773 1.00 0.00 C ATOM 1375 CD LYS A 90 13.212 -12.470 5.101 1.00 0.00 C ATOM 1376 CE LYS A 90 14.115 -12.450 6.323 1.00 0.00 C ATOM 1377 NZ LYS A 90 14.401 -13.816 6.833 1.00 0.00 N ATOM 0 H LYS A 90 10.620 -10.322 1.484 1.00 0.00 H new ATOM 0 HA LYS A 90 13.359 -10.207 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.069 -10.237 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.219 -11.976 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.568 -10.424 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.188 -10.670 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.364 -13.130 5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.756 -12.876 4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.053 -11.954 6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.645 -11.861 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.635 -13.767 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.564 -14.418 6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.205 -14.220 6.311 1.00 0.00 H new ATOM 1391 N LYS A 91 14.268 -12.481 1.937 1.00 0.00 N ATOM 1392 CA LYS A 91 14.885 -13.691 1.412 1.00 0.00 C ATOM 1393 C LYS A 91 14.369 -14.930 2.128 1.00 0.00 C ATOM 1394 O LYS A 91 13.462 -14.855 2.959 1.00 0.00 O ATOM 1395 CB LYS A 91 16.403 -13.617 1.527 1.00 0.00 C ATOM 1396 CG LYS A 91 17.017 -12.515 0.685 1.00 0.00 C ATOM 1397 CD LYS A 91 18.509 -12.417 0.921 1.00 0.00 C ATOM 1398 CE LYS A 91 19.317 -13.189 -0.115 1.00 0.00 C ATOM 1399 NZ LYS A 91 19.089 -14.655 -0.038 1.00 0.00 N ATOM 0 H LYS A 91 14.888 -11.899 2.500 1.00 0.00 H new ATOM 0 HA LYS A 91 14.614 -13.767 0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.674 -13.460 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 91 16.830 -14.574 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.824 -12.709 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.544 -11.563 0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.808 -11.369 0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.742 -12.798 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.055 -12.836 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.377 -12.982 0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.791 -15.147 -0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.184 -14.970 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.133 -14.876 -0.381 1.00 0.00 H new ATOM 1413 N LEU A 92 14.980 -16.061 1.833 1.00 0.00 N ATOM 1414 CA LEU A 92 14.441 -17.339 2.276 1.00 0.00 C ATOM 1415 C LEU A 92 15.199 -17.875 3.482 1.00 0.00 C ATOM 1416 O LEU A 92 14.793 -18.866 4.087 1.00 0.00 O ATOM 1417 CB LEU A 92 14.413 -18.374 1.136 1.00 0.00 C ATOM 1418 CG LEU A 92 15.674 -18.478 0.271 1.00 0.00 C ATOM 1419 CD1 LEU A 92 15.757 -19.860 -0.355 1.00 0.00 C ATOM 1420 CD2 LEU A 92 15.665 -17.419 -0.826 1.00 0.00 C ATOM 0 H LEU A 92 15.843 -16.125 1.293 1.00 0.00 H new ATOM 0 HA LEU A 92 13.410 -17.161 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.217 -19.354 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.571 -18.140 0.484 1.00 0.00 H new ATOM 0 HG LEU A 92 16.543 -18.313 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.655 -19.928 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.797 -20.614 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.879 -20.031 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.569 -17.511 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.790 -17.560 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.629 -16.428 -0.374 1.00 0.00 H new ATOM 1432 N GLU A 93 16.288 -17.213 3.835 1.00 0.00 N ATOM 1433 CA GLU A 93 17.025 -17.550 5.040 1.00 0.00 C ATOM 1434 C GLU A 93 16.172 -17.225 6.257 1.00 0.00 C ATOM 1435 O GLU A 93 15.879 -16.059 6.527 1.00 0.00 O ATOM 1436 CB GLU A 93 18.358 -16.789 5.117 1.00 0.00 C ATOM 1437 CG GLU A 93 19.302 -17.058 3.952 1.00 0.00 C ATOM 1438 CD GLU A 93 18.934 -16.282 2.702 1.00 0.00 C ATOM 1439 OE1 GLU A 93 18.147 -16.796 1.879 1.00 0.00 O ATOM 1440 OE2 GLU A 93 19.429 -15.155 2.533 1.00 0.00 O ATOM 0 H GLU A 93 16.682 -16.437 3.302 1.00 0.00 H new ATOM 0 HA GLU A 93 17.253 -18.616 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 93 18.150 -15.720 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.862 -17.055 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 93 20.319 -16.799 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.297 -18.124 3.726 1.00 0.00 H new