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 37 TYR OH : rot -170:sc= 2.03 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -162:sc= 0.913 (180deg=0) USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 HIS : no HD1:sc= -0.169 X(o=-0.17,f=0.0027) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -175:sc= 1.02 (180deg=0.805) USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -122:sc= 0 (180deg=-0.135) 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 USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.08) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 42 THR OG1 : rot -75:sc= 1.29 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A 49 MET CE :methyl -159:sc= -0.0802 (180deg=-0.515) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -154:sc= 1.26 (180deg=-0.361) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= 1.25 (180deg=1.03) USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= -0.0513 (180deg=-0.255) USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00706 USER MOD Single : A 74 SER OG : rot 20:sc= 1.16 USER MOD Single : A 76 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.11) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.013) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -141:sc= 1.29 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 2.906 -6.452 2.187 1.00 0.00 N ATOM 329 CA ALA A 22 3.903 -5.414 1.945 1.00 0.00 C ATOM 330 C ALA A 22 3.754 -4.268 2.945 1.00 0.00 C ATOM 331 O ALA A 22 2.658 -3.724 3.121 1.00 0.00 O ATOM 332 CB ALA A 22 3.793 -4.890 0.522 1.00 0.00 C ATOM 0 HA ALA A 22 4.890 -5.857 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.544 -4.117 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.956 -5.707 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.800 -4.469 0.365 1.00 0.00 H new ATOM 338 N GLU A 23 4.852 -3.908 3.604 1.00 0.00 N ATOM 339 CA GLU A 23 4.825 -2.849 4.605 1.00 0.00 C ATOM 340 C GLU A 23 5.979 -1.859 4.395 1.00 0.00 C ATOM 341 O GLU A 23 6.986 -2.185 3.764 1.00 0.00 O ATOM 342 CB GLU A 23 4.889 -3.465 6.007 1.00 0.00 C ATOM 343 CG GLU A 23 4.575 -2.484 7.128 1.00 0.00 C ATOM 344 CD GLU A 23 4.497 -3.147 8.487 1.00 0.00 C ATOM 345 OE1 GLU A 23 3.451 -3.758 8.796 1.00 0.00 O ATOM 346 OE2 GLU A 23 5.474 -3.053 9.257 1.00 0.00 O ATOM 0 H GLU A 23 5.768 -4.333 3.463 1.00 0.00 H new ATOM 0 HA GLU A 23 3.893 -2.294 4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.188 -4.298 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.885 -3.877 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.341 -1.709 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.627 -1.989 6.916 1.00 0.00 H new ATOM 353 N ILE A 24 5.814 -0.649 4.921 1.00 0.00 N ATOM 354 CA ILE A 24 6.826 0.397 4.802 1.00 0.00 C ATOM 355 C ILE A 24 7.870 0.258 5.914 1.00 0.00 C ATOM 356 O ILE A 24 7.533 -0.111 7.042 1.00 0.00 O ATOM 357 CB ILE A 24 6.182 1.801 4.895 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.106 1.982 3.819 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.232 2.898 4.785 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.646 2.083 2.407 1.00 0.00 C ATOM 0 H ILE A 24 4.981 -0.367 5.438 1.00 0.00 H new ATOM 0 HA ILE A 24 7.305 0.285 3.829 1.00 0.00 H new ATOM 0 HB ILE A 24 5.709 1.882 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.412 1.143 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.534 2.883 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.749 3.873 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.954 2.793 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.746 2.815 3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.818 2.209 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.316 2.940 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.193 1.173 2.161 1.00 0.00 H new ATOM 372 N MET A 25 9.128 0.561 5.602 1.00 0.00 N ATOM 373 CA MET A 25 10.209 0.465 6.582 1.00 0.00 C ATOM 374 C MET A 25 11.005 1.769 6.632 1.00 0.00 C ATOM 375 O MET A 25 11.013 2.530 5.665 1.00 0.00 O ATOM 376 CB MET A 25 11.131 -0.708 6.240 1.00 0.00 C ATOM 377 CG MET A 25 10.419 -2.050 6.243 1.00 0.00 C ATOM 378 SD MET A 25 9.923 -2.586 7.893 1.00 0.00 S ATOM 379 CE MET A 25 11.496 -3.121 8.556 1.00 0.00 C ATOM 0 H MET A 25 9.425 0.875 4.678 1.00 0.00 H new ATOM 0 HA MET A 25 9.771 0.291 7.565 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.572 -0.540 5.257 1.00 0.00 H new ATOM 0 HB3 MET A 25 11.951 -0.738 6.957 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.536 -1.987 5.607 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.074 -2.803 5.805 1.00 0.00 H new ATOM 0 HE1 MET A 25 11.428 -4.167 8.855 1.00 0.00 H new ATOM 0 HE2 MET A 25 12.268 -3.010 7.795 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.751 -2.512 9.423 1.00 0.00 H new ATOM 389 N LYS A 26 11.659 2.029 7.764 1.00 0.00 N ATOM 390 CA LYS A 26 12.448 3.246 7.937 1.00 0.00 C ATOM 391 C LYS A 26 13.726 3.205 7.113 1.00 0.00 C ATOM 392 O LYS A 26 14.246 2.134 6.832 1.00 0.00 O ATOM 393 CB LYS A 26 12.812 3.447 9.404 1.00 0.00 C ATOM 394 CG LYS A 26 11.621 3.725 10.300 1.00 0.00 C ATOM 395 CD LYS A 26 12.063 4.349 11.609 1.00 0.00 C ATOM 396 CE LYS A 26 10.884 4.667 12.507 1.00 0.00 C ATOM 397 NZ LYS A 26 11.306 5.413 13.719 1.00 0.00 N ATOM 0 H LYS A 26 11.657 1.411 8.576 1.00 0.00 H new ATOM 0 HA LYS A 26 11.833 4.077 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.326 2.557 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.515 4.276 9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.926 4.392 9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.085 2.797 10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.740 3.669 12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.622 5.262 11.406 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.152 5.255 11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.391 3.741 12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.474 5.614 14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.985 4.841 14.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.754 6.308 13.437 1.00 0.00 H new ATOM 411 N LYS A 27 14.238 4.384 6.768 1.00 0.00 N ATOM 412 CA LYS A 27 15.434 4.517 5.936 1.00 0.00 C ATOM 413 C LYS A 27 16.603 3.689 6.470 1.00 0.00 C ATOM 414 O LYS A 27 17.191 2.894 5.736 1.00 0.00 O ATOM 415 CB LYS A 27 15.849 5.987 5.856 1.00 0.00 C ATOM 416 CG LYS A 27 17.125 6.219 5.065 1.00 0.00 C ATOM 417 CD LYS A 27 17.625 7.643 5.230 1.00 0.00 C ATOM 418 CE LYS A 27 16.626 8.655 4.693 1.00 0.00 C ATOM 419 NZ LYS A 27 17.075 10.050 4.926 1.00 0.00 N ATOM 0 H LYS A 27 13.836 5.276 7.057 1.00 0.00 H new ATOM 0 HA LYS A 27 15.184 4.141 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.041 6.559 5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.983 6.373 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.893 5.521 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.943 6.015 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.814 7.843 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.575 7.758 4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.483 8.493 3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.659 8.500 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.367 10.711 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.187 10.213 5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.986 10.206 4.449 1.00 0.00 H new ATOM 433 N THR A 28 16.927 3.876 7.745 1.00 0.00 N ATOM 434 CA THR A 28 18.091 3.229 8.339 1.00 0.00 C ATOM 435 C THR A 28 17.930 1.714 8.346 1.00 0.00 C ATOM 436 O THR A 28 18.805 0.983 7.886 1.00 0.00 O ATOM 437 CB THR A 28 18.333 3.727 9.780 1.00 0.00 C ATOM 438 OG1 THR A 28 18.453 5.159 9.795 1.00 0.00 O ATOM 439 CG2 THR A 28 19.594 3.106 10.370 1.00 0.00 C ATOM 0 H THR A 28 16.401 4.470 8.386 1.00 0.00 H new ATOM 0 HA THR A 28 18.953 3.492 7.726 1.00 0.00 H new ATOM 0 HB THR A 28 17.479 3.425 10.387 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.605 5.465 10.714 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.740 3.474 11.385 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.491 2.021 10.389 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.454 3.378 9.758 1.00 0.00 H new ATOM 447 N ASP A 29 16.798 1.247 8.844 1.00 0.00 N ATOM 448 CA ASP A 29 16.558 -0.187 8.957 1.00 0.00 C ATOM 449 C ASP A 29 16.378 -0.809 7.580 1.00 0.00 C ATOM 450 O ASP A 29 16.825 -1.926 7.338 1.00 0.00 O ATOM 451 CB ASP A 29 15.330 -0.438 9.831 1.00 0.00 C ATOM 452 CG ASP A 29 15.233 -1.871 10.304 1.00 0.00 C ATOM 453 OD1 ASP A 29 16.085 -2.291 11.116 1.00 0.00 O ATOM 454 OD2 ASP A 29 14.292 -2.575 9.892 1.00 0.00 O ATOM 0 H ASP A 29 16.032 1.834 9.176 1.00 0.00 H new ATOM 0 HA ASP A 29 17.423 -0.656 9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.363 0.224 10.696 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.431 -0.184 9.269 1.00 0.00 H new ATOM 459 N PHE A 30 15.757 -0.068 6.668 1.00 0.00 N ATOM 460 CA PHE A 30 15.581 -0.527 5.294 1.00 0.00 C ATOM 461 C PHE A 30 16.934 -0.698 4.618 1.00 0.00 C ATOM 462 O PHE A 30 17.162 -1.669 3.908 1.00 0.00 O ATOM 463 CB PHE A 30 14.715 0.449 4.490 1.00 0.00 C ATOM 464 CG PHE A 30 14.589 0.084 3.039 1.00 0.00 C ATOM 465 CD1 PHE A 30 13.859 -1.026 2.653 1.00 0.00 C ATOM 466 CD2 PHE A 30 15.214 0.845 2.065 1.00 0.00 C ATOM 467 CE1 PHE A 30 13.750 -1.370 1.319 1.00 0.00 C ATOM 468 CE2 PHE A 30 15.109 0.507 0.730 1.00 0.00 C ATOM 469 CZ PHE A 30 14.376 -0.601 0.358 1.00 0.00 C ATOM 0 H PHE A 30 15.366 0.855 6.856 1.00 0.00 H new ATOM 0 HA PHE A 30 15.071 -1.490 5.325 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.720 0.490 4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.140 1.449 4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.369 -1.630 3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 30 15.790 1.712 2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.177 -2.238 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.600 1.109 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.292 -0.867 -0.685 1.00 0.00 H new ATOM 479 N ASP A 31 17.832 0.248 4.853 1.00 0.00 N ATOM 480 CA ASP A 31 19.178 0.186 4.294 1.00 0.00 C ATOM 481 C ASP A 31 19.932 -1.021 4.830 1.00 0.00 C ATOM 482 O ASP A 31 20.770 -1.614 4.142 1.00 0.00 O ATOM 483 CB ASP A 31 19.931 1.486 4.614 1.00 0.00 C ATOM 484 CG ASP A 31 21.415 1.417 4.309 1.00 0.00 C ATOM 485 OD1 ASP A 31 21.787 1.457 3.119 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.226 1.327 5.262 1.00 0.00 O ATOM 0 H ASP A 31 17.653 1.071 5.429 1.00 0.00 H new ATOM 0 HA ASP A 31 19.105 0.077 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.489 2.303 4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.796 1.724 5.669 1.00 0.00 H new ATOM 491 N LYS A 32 19.611 -1.398 6.048 1.00 0.00 N ATOM 492 CA LYS A 32 20.240 -2.532 6.689 1.00 0.00 C ATOM 493 C LYS A 32 19.608 -3.837 6.229 1.00 0.00 C ATOM 494 O LYS A 32 20.313 -4.817 5.983 1.00 0.00 O ATOM 495 CB LYS A 32 20.156 -2.372 8.210 1.00 0.00 C ATOM 496 CG LYS A 32 21.370 -1.679 8.810 1.00 0.00 C ATOM 497 CD LYS A 32 21.570 -0.309 8.188 1.00 0.00 C ATOM 498 CE LYS A 32 22.894 0.317 8.585 1.00 0.00 C ATOM 499 NZ LYS A 32 23.166 1.555 7.806 1.00 0.00 N ATOM 0 H LYS A 32 18.909 -0.929 6.621 1.00 0.00 H new ATOM 0 HA LYS A 32 21.291 -2.567 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.261 -1.802 8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 32 20.045 -3.356 8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.242 -1.579 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.259 -2.289 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.523 -0.395 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.755 0.348 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.883 0.551 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.699 -0.400 8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.178 1.788 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.904 1.404 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.606 2.340 8.195 1.00 0.00 H new ATOM 513 N VAL A 33 18.289 -3.842 6.071 1.00 0.00 N ATOM 514 CA VAL A 33 17.594 -5.053 5.645 1.00 0.00 C ATOM 515 C VAL A 33 17.605 -5.201 4.125 1.00 0.00 C ATOM 516 O VAL A 33 17.241 -6.247 3.602 1.00 0.00 O ATOM 517 CB VAL A 33 16.138 -5.126 6.158 1.00 0.00 C ATOM 518 CG1 VAL A 33 16.099 -5.090 7.682 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.282 -4.018 5.560 1.00 0.00 C ATOM 0 H VAL A 33 17.686 -3.034 6.228 1.00 0.00 H new ATOM 0 HA VAL A 33 18.147 -5.879 6.093 1.00 0.00 H new ATOM 0 HB VAL A 33 15.716 -6.076 5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.064 -5.142 8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.655 -5.939 8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.550 -4.163 8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.264 -4.098 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.697 -3.049 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.271 -4.113 4.474 1.00 0.00 H new ATOM 529 N ALA A 34 18.035 -4.157 3.411 1.00 0.00 N ATOM 530 CA ALA A 34 18.194 -4.237 1.958 1.00 0.00 C ATOM 531 C ALA A 34 19.263 -5.262 1.611 1.00 0.00 C ATOM 532 O ALA A 34 19.259 -5.856 0.532 1.00 0.00 O ATOM 533 CB ALA A 34 18.554 -2.874 1.380 1.00 0.00 C ATOM 0 H ALA A 34 18.278 -3.252 3.813 1.00 0.00 H new ATOM 0 HA ALA A 34 17.247 -4.551 1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.668 -2.956 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.762 -2.161 1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.490 -2.529 1.818 1.00 0.00 H new ATOM 539 N SER A 35 20.171 -5.465 2.556 1.00 0.00 N ATOM 540 CA SER A 35 21.222 -6.455 2.425 1.00 0.00 C ATOM 541 C SER A 35 20.647 -7.852 2.676 1.00 0.00 C ATOM 542 O SER A 35 21.118 -8.848 2.122 1.00 0.00 O ATOM 543 CB SER A 35 22.349 -6.134 3.421 1.00 0.00 C ATOM 544 OG SER A 35 23.469 -6.984 3.239 1.00 0.00 O ATOM 0 H SER A 35 20.196 -4.946 3.434 1.00 0.00 H new ATOM 0 HA SER A 35 21.633 -6.432 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.657 -5.096 3.299 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.975 -6.238 4.439 1.00 0.00 H new ATOM 0 HG SER A 35 24.166 -6.750 3.887 1.00 0.00 H new ATOM 550 N GLU A 36 19.595 -7.899 3.490 1.00 0.00 N ATOM 551 CA GLU A 36 18.947 -9.148 3.874 1.00 0.00 C ATOM 552 C GLU A 36 17.768 -9.465 2.954 1.00 0.00 C ATOM 553 O GLU A 36 17.107 -10.492 3.106 1.00 0.00 O ATOM 554 CB GLU A 36 18.437 -9.024 5.308 1.00 0.00 C ATOM 555 CG GLU A 36 19.435 -8.367 6.238 1.00 0.00 C ATOM 556 CD GLU A 36 18.932 -8.243 7.661 1.00 0.00 C ATOM 557 OE1 GLU A 36 18.334 -9.204 8.178 1.00 0.00 O ATOM 558 OE2 GLU A 36 19.154 -7.180 8.278 1.00 0.00 O ATOM 0 H GLU A 36 19.168 -7.069 3.902 1.00 0.00 H new ATOM 0 HA GLU A 36 19.676 -9.954 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.513 -8.446 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.194 -10.016 5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.359 -8.945 6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.678 -7.375 5.858 1.00 0.00 H new ATOM 565 N TYR A 37 17.504 -8.572 2.009 1.00 0.00 N ATOM 566 CA TYR A 37 16.345 -8.700 1.132 1.00 0.00 C ATOM 567 C TYR A 37 16.762 -8.769 -0.331 1.00 0.00 C ATOM 568 O TYR A 37 17.951 -8.758 -0.648 1.00 0.00 O ATOM 569 CB TYR A 37 15.380 -7.531 1.349 1.00 0.00 C ATOM 570 CG TYR A 37 14.393 -7.755 2.472 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.805 -8.239 3.706 1.00 0.00 C ATOM 572 CD2 TYR A 37 13.044 -7.485 2.291 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.903 -8.453 4.728 1.00 0.00 C ATOM 574 CE2 TYR A 37 12.135 -7.694 3.307 1.00 0.00 C ATOM 575 CZ TYR A 37 12.567 -8.178 4.524 1.00 0.00 C ATOM 576 OH TYR A 37 11.658 -8.391 5.534 1.00 0.00 O ATOM 0 H TYR A 37 18.078 -7.748 1.829 1.00 0.00 H new ATOM 0 HA TYR A 37 15.839 -9.632 1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.957 -6.630 1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.830 -7.350 0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.851 -8.452 3.869 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.701 -7.105 1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.241 -8.833 5.681 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.088 -7.479 3.150 1.00 0.00 H new ATOM 0 HH TYR A 37 10.749 -8.300 5.180 1.00 0.00 H new ATOM 586 N THR A 38 15.778 -8.860 -1.217 1.00 0.00 N ATOM 587 CA THR A 38 16.029 -8.942 -2.650 1.00 0.00 C ATOM 588 C THR A 38 14.952 -8.186 -3.423 1.00 0.00 C ATOM 589 O THR A 38 13.763 -8.434 -3.243 1.00 0.00 O ATOM 590 CB THR A 38 16.058 -10.416 -3.114 1.00 0.00 C ATOM 591 OG1 THR A 38 17.013 -11.146 -2.333 1.00 0.00 O ATOM 592 CG2 THR A 38 16.419 -10.527 -4.588 1.00 0.00 C ATOM 0 H THR A 38 14.790 -8.879 -0.965 1.00 0.00 H new ATOM 0 HA THR A 38 17.000 -8.488 -2.850 1.00 0.00 H new ATOM 0 HB THR A 38 15.061 -10.835 -2.975 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.030 -12.081 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.431 -11.577 -4.882 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.681 -9.991 -5.185 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.405 -10.093 -4.755 1.00 0.00 H new ATOM 600 N LYS A 39 15.365 -7.258 -4.272 1.00 0.00 N ATOM 601 CA LYS A 39 14.422 -6.473 -5.056 1.00 0.00 C ATOM 602 C LYS A 39 13.918 -7.264 -6.259 1.00 0.00 C ATOM 603 O LYS A 39 14.704 -7.818 -7.025 1.00 0.00 O ATOM 604 CB LYS A 39 15.063 -5.158 -5.508 1.00 0.00 C ATOM 605 CG LYS A 39 14.245 -4.406 -6.544 1.00 0.00 C ATOM 606 CD LYS A 39 14.391 -2.902 -6.401 1.00 0.00 C ATOM 607 CE LYS A 39 15.837 -2.448 -6.517 1.00 0.00 C ATOM 608 NZ LYS A 39 15.962 -0.983 -6.319 1.00 0.00 N ATOM 0 H LYS A 39 16.345 -7.030 -4.436 1.00 0.00 H new ATOM 0 HA LYS A 39 13.566 -6.242 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.209 -4.517 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.050 -5.368 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.560 -4.707 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.195 -4.679 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.795 -2.407 -7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.991 -2.591 -5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.444 -2.970 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.227 -2.719 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.946 -0.693 -6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.336 -0.488 -6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.692 -0.740 -5.345 1.00 0.00 H new ATOM 622 N ILE A 40 12.600 -7.319 -6.407 1.00 0.00 N ATOM 623 CA ILE A 40 11.979 -8.028 -7.522 1.00 0.00 C ATOM 624 C ILE A 40 11.692 -7.082 -8.681 1.00 0.00 C ATOM 625 O ILE A 40 11.413 -7.515 -9.798 1.00 0.00 O ATOM 626 CB ILE A 40 10.668 -8.724 -7.091 1.00 0.00 C ATOM 627 CG1 ILE A 40 9.715 -7.727 -6.424 1.00 0.00 C ATOM 628 CG2 ILE A 40 10.978 -9.878 -6.156 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.432 -8.354 -5.917 1.00 0.00 C ATOM 0 H ILE A 40 11.938 -6.880 -5.767 1.00 0.00 H new ATOM 0 HA ILE A 40 12.688 -8.789 -7.849 1.00 0.00 H new ATOM 0 HB ILE A 40 10.173 -9.116 -7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.229 -7.249 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.467 -6.942 -7.138 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.049 -10.363 -5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.616 -10.599 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.492 -9.502 -5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.809 -7.587 -5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.895 -8.807 -6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.668 -9.120 -5.178 1.00 0.00 H new ATOM 641 N GLY A 41 11.759 -5.788 -8.403 1.00 0.00 N ATOM 642 CA GLY A 41 11.528 -4.794 -9.426 1.00 0.00 C ATOM 643 C GLY A 41 10.962 -3.518 -8.852 1.00 0.00 C ATOM 644 O GLY A 41 10.481 -3.504 -7.719 1.00 0.00 O ATOM 0 H GLY A 41 11.971 -5.409 -7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.465 -4.577 -9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.840 -5.193 -10.172 1.00 0.00 H new ATOM 648 N THR A 42 11.043 -2.445 -9.617 1.00 0.00 N ATOM 649 CA THR A 42 10.493 -1.168 -9.205 1.00 0.00 C ATOM 650 C THR A 42 9.215 -0.882 -9.984 1.00 0.00 C ATOM 651 O THR A 42 9.072 -1.298 -11.134 1.00 0.00 O ATOM 652 CB THR A 42 11.505 -0.030 -9.449 1.00 0.00 C ATOM 653 OG1 THR A 42 12.808 -0.434 -9.002 1.00 0.00 O ATOM 654 CG2 THR A 42 11.101 1.244 -8.722 1.00 0.00 C ATOM 0 H THR A 42 11.488 -2.434 -10.535 1.00 0.00 H new ATOM 0 HA THR A 42 10.273 -1.218 -8.139 1.00 0.00 H new ATOM 0 HB THR A 42 11.521 0.176 -10.519 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.839 -0.414 -8.023 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.837 2.023 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.124 1.571 -9.077 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.052 1.051 -7.650 1.00 0.00 H new ATOM 662 N ILE A 43 8.293 -0.179 -9.358 1.00 0.00 N ATOM 663 CA ILE A 43 7.033 0.172 -9.996 1.00 0.00 C ATOM 664 C ILE A 43 6.931 1.683 -10.131 1.00 0.00 C ATOM 665 O ILE A 43 7.679 2.419 -9.484 1.00 0.00 O ATOM 666 CB ILE A 43 5.806 -0.355 -9.214 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.784 0.229 -7.803 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.811 -1.877 -9.163 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.613 -0.236 -6.967 1.00 0.00 C ATOM 0 H ILE A 43 8.390 0.164 -8.402 1.00 0.00 H new ATOM 0 HA ILE A 43 7.026 -0.301 -10.978 1.00 0.00 H new ATOM 0 HB ILE A 43 4.904 -0.036 -9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.710 -0.039 -7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.761 1.317 -7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.940 -2.225 -8.609 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.779 -2.275 -10.177 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.718 -2.221 -8.667 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.667 0.221 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.681 0.056 -7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.646 -1.321 -6.867 1.00 0.00 H new ATOM 681 N SER A 44 6.014 2.144 -10.962 1.00 0.00 N ATOM 682 CA SER A 44 5.853 3.559 -11.207 1.00 0.00 C ATOM 683 C SER A 44 4.426 3.894 -11.619 1.00 0.00 C ATOM 684 O SER A 44 3.605 3.004 -11.835 1.00 0.00 O ATOM 685 CB SER A 44 6.820 4.001 -12.296 1.00 0.00 C ATOM 686 OG SER A 44 6.891 3.044 -13.342 1.00 0.00 O ATOM 0 H SER A 44 5.366 1.551 -11.481 1.00 0.00 H new ATOM 0 HA SER A 44 6.069 4.091 -10.280 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.501 4.962 -12.700 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.811 4.149 -11.867 1.00 0.00 H new ATOM 0 HG SER A 44 7.518 3.355 -14.028 1.00 0.00 H new ATOM 692 N THR A 45 4.147 5.182 -11.729 1.00 0.00 N ATOM 693 CA THR A 45 2.846 5.659 -12.165 1.00 0.00 C ATOM 694 C THR A 45 2.984 6.782 -13.182 1.00 0.00 C ATOM 695 O THR A 45 3.853 7.643 -13.055 1.00 0.00 O ATOM 696 CB THR A 45 2.006 6.170 -10.979 1.00 0.00 C ATOM 697 OG1 THR A 45 2.870 6.683 -9.955 1.00 0.00 O ATOM 698 CG2 THR A 45 1.126 5.070 -10.416 1.00 0.00 C ATOM 0 H THR A 45 4.814 5.924 -11.519 1.00 0.00 H new ATOM 0 HA THR A 45 2.341 4.810 -12.625 1.00 0.00 H new ATOM 0 HB THR A 45 1.358 6.969 -11.339 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.330 7.008 -9.204 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.545 5.461 -9.580 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.450 4.712 -11.192 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.750 4.246 -10.070 1.00 0.00 H new ATOM 706 N THR A 46 2.149 6.741 -14.205 1.00 0.00 N ATOM 707 CA THR A 46 2.018 7.849 -15.130 1.00 0.00 C ATOM 708 C THR A 46 0.573 7.966 -15.577 1.00 0.00 C ATOM 709 O THR A 46 0.114 7.229 -16.451 1.00 0.00 O ATOM 710 CB THR A 46 2.899 7.700 -16.376 1.00 0.00 C ATOM 711 OG1 THR A 46 4.280 7.552 -16.010 1.00 0.00 O ATOM 712 CG2 THR A 46 2.738 8.912 -17.281 1.00 0.00 C ATOM 0 H THR A 46 1.548 5.945 -14.416 1.00 0.00 H new ATOM 0 HA THR A 46 2.345 8.741 -14.596 1.00 0.00 H new ATOM 0 HB THR A 46 2.581 6.805 -16.911 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.825 7.457 -16.819 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.369 8.794 -18.162 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.696 9.000 -17.589 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.034 9.811 -16.741 1.00 0.00 H new ATOM 720 N GLY A 47 -0.145 8.867 -14.950 1.00 0.00 N ATOM 721 CA GLY A 47 -1.513 9.098 -15.316 1.00 0.00 C ATOM 722 C GLY A 47 -2.158 10.144 -14.446 1.00 0.00 C ATOM 723 O GLY A 47 -1.548 11.167 -14.129 1.00 0.00 O ATOM 0 H GLY A 47 0.199 9.449 -14.186 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.562 9.412 -16.359 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.072 8.166 -15.238 1.00 0.00 H new ATOM 727 N GLU A 48 -3.380 9.874 -14.048 1.00 0.00 N ATOM 728 CA GLU A 48 -4.163 10.822 -13.272 1.00 0.00 C ATOM 729 C GLU A 48 -5.245 10.122 -12.452 1.00 0.00 C ATOM 730 O GLU A 48 -6.331 9.813 -12.944 1.00 0.00 O ATOM 731 CB GLU A 48 -4.768 11.891 -14.192 1.00 0.00 C ATOM 732 CG GLU A 48 -5.402 11.333 -15.454 1.00 0.00 C ATOM 733 CD GLU A 48 -5.798 12.417 -16.431 1.00 0.00 C ATOM 734 OE1 GLU A 48 -4.926 13.245 -16.789 1.00 0.00 O ATOM 735 OE2 GLU A 48 -6.973 12.457 -16.843 1.00 0.00 O ATOM 0 H GLU A 48 -3.862 8.998 -14.249 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.494 11.313 -12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.521 12.450 -13.636 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.988 12.599 -14.472 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.702 10.651 -15.937 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.283 10.750 -15.187 1.00 0.00 H new ATOM 742 N MET A 49 -4.920 9.861 -11.201 1.00 0.00 N ATOM 743 CA MET A 49 -5.849 9.254 -10.260 1.00 0.00 C ATOM 744 C MET A 49 -5.811 10.045 -8.962 1.00 0.00 C ATOM 745 O MET A 49 -5.042 10.997 -8.853 1.00 0.00 O ATOM 746 CB MET A 49 -5.470 7.793 -9.992 1.00 0.00 C ATOM 747 CG MET A 49 -5.606 6.885 -11.204 1.00 0.00 C ATOM 748 SD MET A 49 -7.325 6.538 -11.631 1.00 0.00 S ATOM 749 CE MET A 49 -7.816 5.512 -10.246 1.00 0.00 C ATOM 0 H MET A 49 -4.002 10.063 -10.805 1.00 0.00 H new ATOM 0 HA MET A 49 -6.854 9.271 -10.681 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.440 7.755 -9.637 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.099 7.407 -9.190 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.111 7.349 -12.057 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.089 5.946 -11.008 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.689 4.921 -10.523 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.996 4.845 -9.978 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.062 6.145 -9.393 1.00 0.00 H new ATOM 759 N SER A 50 -6.627 9.668 -7.987 1.00 0.00 N ATOM 760 CA SER A 50 -6.587 10.326 -6.688 1.00 0.00 C ATOM 761 C SER A 50 -5.241 10.044 -6.022 1.00 0.00 C ATOM 762 O SER A 50 -4.703 8.949 -6.164 1.00 0.00 O ATOM 763 CB SER A 50 -7.736 9.831 -5.809 1.00 0.00 C ATOM 764 OG SER A 50 -8.975 9.923 -6.495 1.00 0.00 O ATOM 0 H SER A 50 -7.316 8.920 -8.068 1.00 0.00 H new ATOM 0 HA SER A 50 -6.701 11.402 -6.821 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.555 8.797 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.778 10.420 -4.893 1.00 0.00 H new ATOM 0 HG SER A 50 -9.695 9.599 -5.914 1.00 0.00 H new ATOM 770 N PRO A 51 -4.678 11.016 -5.289 1.00 0.00 N ATOM 771 CA PRO A 51 -3.336 10.890 -4.712 1.00 0.00 C ATOM 772 C PRO A 51 -3.183 9.687 -3.779 1.00 0.00 C ATOM 773 O PRO A 51 -2.221 8.926 -3.891 1.00 0.00 O ATOM 774 CB PRO A 51 -3.134 12.204 -3.947 1.00 0.00 C ATOM 775 CG PRO A 51 -4.492 12.802 -3.810 1.00 0.00 C ATOM 776 CD PRO A 51 -5.288 12.321 -4.988 1.00 0.00 C ATOM 0 HA PRO A 51 -2.592 10.720 -5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.685 12.024 -2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.464 12.873 -4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.959 12.495 -2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.437 13.891 -3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.347 12.226 -4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.213 13.006 -5.833 1.00 0.00 H new ATOM 784 N LEU A 52 -4.130 9.506 -2.869 1.00 0.00 N ATOM 785 CA LEU A 52 -4.086 8.382 -1.940 1.00 0.00 C ATOM 786 C LEU A 52 -4.476 7.101 -2.664 1.00 0.00 C ATOM 787 O LEU A 52 -3.888 6.044 -2.438 1.00 0.00 O ATOM 788 CB LEU A 52 -5.025 8.655 -0.750 1.00 0.00 C ATOM 789 CG LEU A 52 -4.930 7.681 0.433 1.00 0.00 C ATOM 790 CD1 LEU A 52 -5.448 8.347 1.695 1.00 0.00 C ATOM 791 CD2 LEU A 52 -5.719 6.405 0.168 1.00 0.00 C ATOM 0 H LEU A 52 -4.936 10.120 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.073 8.262 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.825 9.661 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.052 8.648 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.881 7.413 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.377 7.650 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.850 9.233 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.489 8.638 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.630 5.738 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.768 6.653 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.324 5.910 -0.719 1.00 0.00 H new ATOM 803 N ASP A 53 -5.439 7.217 -3.568 1.00 0.00 N ATOM 804 CA ASP A 53 -5.971 6.054 -4.276 1.00 0.00 C ATOM 805 C ASP A 53 -4.922 5.454 -5.206 1.00 0.00 C ATOM 806 O ASP A 53 -4.792 4.234 -5.309 1.00 0.00 O ATOM 807 CB ASP A 53 -7.223 6.441 -5.065 1.00 0.00 C ATOM 808 CG ASP A 53 -7.908 5.248 -5.702 1.00 0.00 C ATOM 809 OD1 ASP A 53 -8.248 4.293 -4.971 1.00 0.00 O ATOM 810 OD2 ASP A 53 -8.150 5.284 -6.927 1.00 0.00 O ATOM 0 H ASP A 53 -5.870 8.104 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.240 5.299 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.925 6.945 -4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.951 7.156 -5.842 1.00 0.00 H new ATOM 815 N ALA A 54 -4.160 6.320 -5.864 1.00 0.00 N ATOM 816 CA ALA A 54 -3.101 5.882 -6.760 1.00 0.00 C ATOM 817 C ALA A 54 -1.937 5.300 -5.971 1.00 0.00 C ATOM 818 O ALA A 54 -1.275 4.368 -6.425 1.00 0.00 O ATOM 819 CB ALA A 54 -2.624 7.029 -7.634 1.00 0.00 C ATOM 0 H ALA A 54 -4.258 7.333 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.507 5.103 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.832 6.677 -8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.456 7.402 -8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.241 7.832 -7.004 1.00 0.00 H new ATOM 825 N ARG A 55 -1.699 5.848 -4.783 1.00 0.00 N ATOM 826 CA ARG A 55 -0.671 5.329 -3.905 1.00 0.00 C ATOM 827 C ARG A 55 -1.047 3.935 -3.444 1.00 0.00 C ATOM 828 O ARG A 55 -0.248 3.009 -3.538 1.00 0.00 O ATOM 829 CB ARG A 55 -0.465 6.259 -2.707 1.00 0.00 C ATOM 830 CG ARG A 55 0.493 7.404 -2.986 1.00 0.00 C ATOM 831 CD ARG A 55 0.821 8.176 -1.719 1.00 0.00 C ATOM 832 NE ARG A 55 -0.346 8.867 -1.175 1.00 0.00 N ATOM 833 CZ ARG A 55 -0.714 8.805 0.102 1.00 0.00 C ATOM 834 NH1 ARG A 55 -0.029 8.058 0.954 1.00 0.00 N ATOM 835 NH2 ARG A 55 -1.760 9.505 0.526 1.00 0.00 N ATOM 0 H ARG A 55 -2.207 6.651 -4.412 1.00 0.00 H new ATOM 0 HA ARG A 55 0.269 5.276 -4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.429 6.668 -2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.088 5.677 -1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.412 7.013 -3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.052 8.078 -3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.217 7.490 -0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.605 8.903 -1.931 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.911 9.429 -1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.782 7.529 0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.312 8.011 1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.281 10.090 -0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.042 9.458 1.505 1.00 0.00 H new ATOM 849 N GLU A 56 -2.282 3.784 -2.980 1.00 0.00 N ATOM 850 CA GLU A 56 -2.787 2.484 -2.568 1.00 0.00 C ATOM 851 C GLU A 56 -2.772 1.502 -3.729 1.00 0.00 C ATOM 852 O GLU A 56 -2.502 0.320 -3.542 1.00 0.00 O ATOM 853 CB GLU A 56 -4.198 2.605 -1.995 1.00 0.00 C ATOM 854 CG GLU A 56 -4.220 3.050 -0.542 1.00 0.00 C ATOM 855 CD GLU A 56 -3.551 2.046 0.376 1.00 0.00 C ATOM 856 OE1 GLU A 56 -4.173 1.003 0.671 1.00 0.00 O ATOM 857 OE2 GLU A 56 -2.401 2.285 0.794 1.00 0.00 O ATOM 0 H GLU A 56 -2.951 4.548 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.129 2.103 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.766 3.316 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.701 1.642 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.718 4.013 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.252 3.198 -0.225 1.00 0.00 H new ATOM 864 N ASP A 57 -3.034 1.998 -4.931 1.00 0.00 N ATOM 865 CA ASP A 57 -2.998 1.159 -6.124 1.00 0.00 C ATOM 866 C ASP A 57 -1.587 0.628 -6.344 1.00 0.00 C ATOM 867 O ASP A 57 -1.393 -0.549 -6.634 1.00 0.00 O ATOM 868 CB ASP A 57 -3.465 1.943 -7.352 1.00 0.00 C ATOM 869 CG ASP A 57 -3.504 1.087 -8.605 1.00 0.00 C ATOM 870 OD1 ASP A 57 -4.466 0.308 -8.766 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.579 1.204 -9.440 1.00 0.00 O ATOM 0 H ASP A 57 -3.273 2.974 -5.107 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.676 0.318 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.458 2.351 -7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.798 2.790 -7.514 1.00 0.00 H new ATOM 876 N LEU A 58 -0.608 1.506 -6.174 1.00 0.00 N ATOM 877 CA LEU A 58 0.795 1.128 -6.275 1.00 0.00 C ATOM 878 C LEU A 58 1.175 0.142 -5.176 1.00 0.00 C ATOM 879 O LEU A 58 1.718 -0.930 -5.442 1.00 0.00 O ATOM 880 CB LEU A 58 1.679 2.370 -6.166 1.00 0.00 C ATOM 881 CG LEU A 58 1.822 3.191 -7.445 1.00 0.00 C ATOM 882 CD1 LEU A 58 2.696 4.410 -7.199 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.410 2.339 -8.560 1.00 0.00 C ATOM 0 H LEU A 58 -0.762 2.492 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 58 0.947 0.650 -7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.275 3.014 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.672 2.060 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 58 0.831 3.529 -7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.788 4.984 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.243 5.033 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.685 4.089 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.505 2.939 -9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.393 1.975 -8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.753 1.491 -8.755 1.00 0.00 H new ATOM 895 N ILE A 59 0.866 0.520 -3.944 1.00 0.00 N ATOM 896 CA ILE A 59 1.223 -0.259 -2.770 1.00 0.00 C ATOM 897 C ILE A 59 0.586 -1.646 -2.810 1.00 0.00 C ATOM 898 O ILE A 59 1.267 -2.650 -2.618 1.00 0.00 O ATOM 899 CB ILE A 59 0.789 0.476 -1.479 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.498 1.833 -1.381 1.00 0.00 C ATOM 901 CG2 ILE A 59 1.086 -0.366 -0.245 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.763 2.854 -0.534 1.00 0.00 C ATOM 0 H ILE A 59 0.359 1.379 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 59 2.307 -0.377 -2.770 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.288 0.640 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.494 1.681 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.629 2.236 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.771 0.174 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.543 -1.309 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.156 -0.566 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.329 3.786 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.224 3.037 -0.960 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.655 2.474 0.482 1.00 0.00 H new ATOM 914 N LYS A 60 -0.712 -1.693 -3.093 1.00 0.00 N ATOM 915 CA LYS A 60 -1.451 -2.950 -3.105 1.00 0.00 C ATOM 916 C LYS A 60 -1.036 -3.838 -4.271 1.00 0.00 C ATOM 917 O LYS A 60 -1.020 -5.051 -4.144 1.00 0.00 O ATOM 918 CB LYS A 60 -2.958 -2.692 -3.154 1.00 0.00 C ATOM 919 CG LYS A 60 -3.514 -2.097 -1.871 1.00 0.00 C ATOM 920 CD LYS A 60 -3.393 -3.071 -0.715 1.00 0.00 C ATOM 921 CE LYS A 60 -3.849 -2.453 0.597 1.00 0.00 C ATOM 922 NZ LYS A 60 -2.952 -1.351 1.036 1.00 0.00 N ATOM 0 H LYS A 60 -1.275 -0.873 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.210 -3.474 -2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.176 -2.018 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.472 -3.630 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.979 -1.178 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.561 -1.829 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.989 -3.959 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.357 -3.397 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.864 -2.071 0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.882 -3.223 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.002 -1.254 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.974 -1.567 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.252 -0.461 0.590 1.00 0.00 H new ATOM 936 N LYS A 61 -0.694 -3.234 -5.400 1.00 0.00 N ATOM 937 CA LYS A 61 -0.278 -3.994 -6.573 1.00 0.00 C ATOM 938 C LYS A 61 1.084 -4.641 -6.346 1.00 0.00 C ATOM 939 O LYS A 61 1.290 -5.803 -6.680 1.00 0.00 O ATOM 940 CB LYS A 61 -0.243 -3.073 -7.787 1.00 0.00 C ATOM 941 CG LYS A 61 -1.018 -3.615 -8.966 1.00 0.00 C ATOM 942 CD LYS A 61 -1.605 -2.494 -9.812 1.00 0.00 C ATOM 943 CE LYS A 61 -0.541 -1.507 -10.264 1.00 0.00 C ATOM 944 NZ LYS A 61 -1.132 -0.367 -11.020 1.00 0.00 N ATOM 0 H LYS A 61 -0.696 -2.222 -5.530 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.997 -4.793 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.649 -2.100 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.793 -2.913 -8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.362 -4.231 -9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.820 -4.261 -8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.100 -2.919 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.368 -1.968 -9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.004 -1.128 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.189 -2.020 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.436 -0.005 -11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.980 -0.690 -11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.393 0.391 -10.357 1.00 0.00 H new ATOM 958 N ALA A 62 2.010 -3.878 -5.782 1.00 0.00 N ATOM 959 CA ALA A 62 3.296 -4.427 -5.361 1.00 0.00 C ATOM 960 C ALA A 62 3.087 -5.512 -4.305 1.00 0.00 C ATOM 961 O ALA A 62 3.717 -6.572 -4.343 1.00 0.00 O ATOM 962 CB ALA A 62 4.190 -3.321 -4.822 1.00 0.00 C ATOM 0 H ALA A 62 1.898 -2.880 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 62 3.786 -4.876 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.145 -3.744 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.358 -2.577 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.708 -2.848 -3.967 1.00 0.00 H new ATOM 968 N ASP A 63 2.178 -5.231 -3.379 1.00 0.00 N ATOM 969 CA ASP A 63 1.773 -6.176 -2.340 1.00 0.00 C ATOM 970 C ASP A 63 1.221 -7.455 -2.979 1.00 0.00 C ATOM 971 O ASP A 63 1.549 -8.570 -2.574 1.00 0.00 O ATOM 972 CB ASP A 63 0.708 -5.499 -1.466 1.00 0.00 C ATOM 973 CG ASP A 63 0.362 -6.260 -0.204 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.163 -7.105 0.231 1.00 0.00 O ATOM 975 OD2 ASP A 63 -0.714 -5.985 0.377 1.00 0.00 O ATOM 0 H ASP A 63 1.696 -4.334 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 63 2.629 -6.455 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.059 -4.504 -1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.199 -5.366 -2.056 1.00 0.00 H new ATOM 980 N GLU A 64 0.419 -7.264 -4.021 1.00 0.00 N ATOM 981 CA GLU A 64 -0.212 -8.354 -4.758 1.00 0.00 C ATOM 982 C GLU A 64 0.809 -9.180 -5.528 1.00 0.00 C ATOM 983 O GLU A 64 0.680 -10.403 -5.635 1.00 0.00 O ATOM 984 CB GLU A 64 -1.248 -7.778 -5.727 1.00 0.00 C ATOM 985 CG GLU A 64 -2.601 -7.531 -5.102 1.00 0.00 C ATOM 986 CD GLU A 64 -3.641 -7.128 -6.124 1.00 0.00 C ATOM 987 OE1 GLU A 64 -4.224 -8.026 -6.767 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.881 -5.917 -6.300 1.00 0.00 O ATOM 0 H GLU A 64 0.186 -6.339 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.696 -9.014 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.869 -6.840 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.366 -8.463 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.931 -8.433 -4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.513 -6.748 -4.348 1.00 0.00 H new ATOM 995 N LYS A 65 1.818 -8.506 -6.069 1.00 0.00 N ATOM 996 CA LYS A 65 2.872 -9.170 -6.828 1.00 0.00 C ATOM 997 C LYS A 65 3.708 -10.059 -5.911 1.00 0.00 C ATOM 998 O LYS A 65 4.303 -11.047 -6.350 1.00 0.00 O ATOM 999 CB LYS A 65 3.755 -8.123 -7.520 1.00 0.00 C ATOM 1000 CG LYS A 65 4.830 -8.711 -8.418 1.00 0.00 C ATOM 1001 CD LYS A 65 5.589 -7.621 -9.161 1.00 0.00 C ATOM 1002 CE LYS A 65 6.668 -8.198 -10.065 1.00 0.00 C ATOM 1003 NZ LYS A 65 6.115 -9.160 -11.056 1.00 0.00 N ATOM 0 H LYS A 65 1.928 -7.495 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 65 2.416 -9.802 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.121 -7.465 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.231 -7.505 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.526 -9.298 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.374 -9.393 -9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.891 -7.034 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.044 -6.940 -8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.172 -7.387 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.421 -8.699 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.831 -9.359 -11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.856 -10.045 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.271 -8.750 -11.504 1.00 0.00 H new ATOM 1017 N GLY A 66 3.732 -9.710 -4.635 1.00 0.00 N ATOM 1018 CA GLY A 66 4.465 -10.499 -3.669 1.00 0.00 C ATOM 1019 C GLY A 66 5.666 -9.769 -3.111 1.00 0.00 C ATOM 1020 O GLY A 66 6.794 -10.252 -3.196 1.00 0.00 O ATOM 0 H GLY A 66 3.256 -8.894 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.800 -10.774 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.794 -11.426 -4.138 1.00 0.00 H new ATOM 1024 N ALA A 67 5.421 -8.600 -2.548 1.00 0.00 N ATOM 1025 CA ALA A 67 6.472 -7.826 -1.912 1.00 0.00 C ATOM 1026 C ALA A 67 6.315 -7.880 -0.402 1.00 0.00 C ATOM 1027 O ALA A 67 5.199 -7.901 0.112 1.00 0.00 O ATOM 1028 CB ALA A 67 6.448 -6.387 -2.400 1.00 0.00 C ATOM 0 H ALA A 67 4.499 -8.164 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 67 7.436 -8.259 -2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.243 -5.824 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.599 -6.366 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.485 -5.937 -2.160 1.00 0.00 H new ATOM 1034 N ASP A 68 7.432 -7.919 0.301 1.00 0.00 N ATOM 1035 CA ASP A 68 7.409 -7.965 1.757 1.00 0.00 C ATOM 1036 C ASP A 68 7.604 -6.562 2.318 1.00 0.00 C ATOM 1037 O ASP A 68 6.938 -6.153 3.269 1.00 0.00 O ATOM 1038 CB ASP A 68 8.495 -8.913 2.272 1.00 0.00 C ATOM 1039 CG ASP A 68 8.425 -9.140 3.770 1.00 0.00 C ATOM 1040 OD1 ASP A 68 7.325 -9.414 4.290 1.00 0.00 O ATOM 1041 OD2 ASP A 68 9.480 -9.084 4.429 1.00 0.00 O ATOM 0 H ASP A 68 8.366 -7.920 -0.109 1.00 0.00 H new ATOM 0 HA ASP A 68 6.442 -8.342 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.405 -9.871 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.474 -8.507 2.017 1.00 0.00 H new ATOM 1046 N VAL A 69 8.508 -5.821 1.695 1.00 0.00 N ATOM 1047 CA VAL A 69 8.771 -4.440 2.075 1.00 0.00 C ATOM 1048 C VAL A 69 8.611 -3.518 0.871 1.00 0.00 C ATOM 1049 O VAL A 69 9.058 -3.843 -0.231 1.00 0.00 O ATOM 1050 CB VAL A 69 10.187 -4.275 2.671 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.539 -2.809 2.857 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.294 -5.010 3.995 1.00 0.00 C ATOM 0 H VAL A 69 9.077 -6.156 0.917 1.00 0.00 H new ATOM 0 HA VAL A 69 8.045 -4.167 2.840 1.00 0.00 H new ATOM 0 HB VAL A 69 10.897 -4.708 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.541 -2.726 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.507 -2.302 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.822 -2.346 3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.298 -4.884 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.565 -4.604 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.096 -6.071 3.839 1.00 0.00 H new ATOM 1062 N VAL A 70 7.972 -2.377 1.083 1.00 0.00 N ATOM 1063 CA VAL A 70 7.761 -1.411 0.016 1.00 0.00 C ATOM 1064 C VAL A 70 8.249 -0.033 0.446 1.00 0.00 C ATOM 1065 O VAL A 70 8.153 0.332 1.618 1.00 0.00 O ATOM 1066 CB VAL A 70 6.272 -1.322 -0.405 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.828 -2.610 -1.078 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.383 -1.024 0.792 1.00 0.00 C ATOM 0 H VAL A 70 7.590 -2.097 1.986 1.00 0.00 H new ATOM 0 HA VAL A 70 8.334 -1.755 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 70 6.175 -0.502 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.780 -2.527 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.436 -2.785 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.949 -3.443 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.344 -0.967 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.490 -1.818 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.677 -0.073 1.236 1.00 0.00 H new ATOM 1078 N VAL A 71 8.799 0.715 -0.499 1.00 0.00 N ATOM 1079 CA VAL A 71 9.254 2.072 -0.234 1.00 0.00 C ATOM 1080 C VAL A 71 8.732 3.022 -1.306 1.00 0.00 C ATOM 1081 O VAL A 71 8.952 2.807 -2.498 1.00 0.00 O ATOM 1082 CB VAL A 71 10.797 2.153 -0.179 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.261 3.586 0.031 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.343 1.256 0.920 1.00 0.00 C ATOM 0 H VAL A 71 8.941 0.404 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 71 8.861 2.366 0.739 1.00 0.00 H new ATOM 0 HB VAL A 71 11.184 1.805 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.350 3.614 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.908 4.207 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.858 3.965 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.430 1.328 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.939 1.572 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.051 0.224 0.726 1.00 0.00 H new ATOM 1094 N LEU A 72 8.030 4.061 -0.879 1.00 0.00 N ATOM 1095 CA LEU A 72 7.474 5.039 -1.804 1.00 0.00 C ATOM 1096 C LEU A 72 8.535 6.053 -2.218 1.00 0.00 C ATOM 1097 O LEU A 72 8.919 6.917 -1.434 1.00 0.00 O ATOM 1098 CB LEU A 72 6.278 5.758 -1.173 1.00 0.00 C ATOM 1099 CG LEU A 72 5.074 4.869 -0.855 1.00 0.00 C ATOM 1100 CD1 LEU A 72 3.957 5.692 -0.234 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.582 4.166 -2.113 1.00 0.00 C ATOM 0 H LEU A 72 7.831 4.249 0.104 1.00 0.00 H new ATOM 0 HA LEU A 72 7.134 4.508 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.608 6.237 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.955 6.551 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 72 5.385 4.110 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.108 5.045 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.313 6.151 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.648 6.471 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.725 3.538 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.287 4.909 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.381 3.546 -2.520 1.00 0.00 H new ATOM 1113 N THR A 73 9.022 5.919 -3.439 1.00 0.00 N ATOM 1114 CA THR A 73 10.022 6.828 -3.976 1.00 0.00 C ATOM 1115 C THR A 73 9.366 7.965 -4.763 1.00 0.00 C ATOM 1116 O THR A 73 10.043 8.855 -5.288 1.00 0.00 O ATOM 1117 CB THR A 73 10.985 6.062 -4.892 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.568 4.692 -4.989 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.410 6.124 -4.364 1.00 0.00 C ATOM 0 H THR A 73 8.738 5.182 -4.084 1.00 0.00 H new ATOM 0 HA THR A 73 10.573 7.258 -3.139 1.00 0.00 H new ATOM 0 HB THR A 73 10.964 6.528 -5.877 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.183 4.204 -5.576 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.070 5.573 -5.033 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.733 7.164 -4.311 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.449 5.680 -3.369 1.00 0.00 H new ATOM 1127 N SER A 74 8.044 7.920 -4.831 1.00 0.00 N ATOM 1128 CA SER A 74 7.258 8.899 -5.569 1.00 0.00 C ATOM 1129 C SER A 74 7.448 10.308 -5.013 1.00 0.00 C ATOM 1130 O SER A 74 7.471 10.509 -3.802 1.00 0.00 O ATOM 1131 CB SER A 74 5.777 8.516 -5.514 1.00 0.00 C ATOM 1132 OG SER A 74 5.560 7.230 -6.073 1.00 0.00 O ATOM 0 H SER A 74 7.483 7.201 -4.374 1.00 0.00 H new ATOM 0 HA SER A 74 7.604 8.898 -6.603 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.433 8.529 -4.480 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.187 9.255 -6.055 1.00 0.00 H new ATOM 0 HG SER A 74 6.405 6.734 -6.091 1.00 0.00 H new ATOM 1138 N GLY A 75 7.584 11.275 -5.910 1.00 0.00 N ATOM 1139 CA GLY A 75 7.742 12.654 -5.497 1.00 0.00 C ATOM 1140 C GLY A 75 7.638 13.615 -6.663 1.00 0.00 C ATOM 1141 O GLY A 75 8.649 14.112 -7.151 1.00 0.00 O ATOM 0 H GLY A 75 7.588 11.128 -6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.980 12.900 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.710 12.778 -5.011 1.00 0.00 H new ATOM 1145 N GLN A 76 6.417 13.856 -7.124 1.00 0.00 N ATOM 1146 CA GLN A 76 6.181 14.795 -8.212 1.00 0.00 C ATOM 1147 C GLN A 76 5.132 15.825 -7.817 1.00 0.00 C ATOM 1148 O GLN A 76 5.457 16.884 -7.281 1.00 0.00 O ATOM 1149 CB GLN A 76 5.739 14.064 -9.486 1.00 0.00 C ATOM 1150 CG GLN A 76 6.803 13.156 -10.081 1.00 0.00 C ATOM 1151 CD GLN A 76 8.062 13.903 -10.485 1.00 0.00 C ATOM 1152 OE1 GLN A 76 9.158 13.347 -10.449 1.00 0.00 O ATOM 1153 NE2 GLN A 76 7.915 15.159 -10.882 1.00 0.00 N ATOM 0 H GLN A 76 5.574 13.413 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 76 7.121 15.308 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.853 13.470 -9.262 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.447 14.802 -10.233 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.062 12.385 -9.356 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.393 12.648 -10.954 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.988 15.584 -10.897 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.729 15.701 -11.172 1.00 0.00 H new ATOM 1162 N THR A 77 3.871 15.486 -8.054 1.00 0.00 N ATOM 1163 CA THR A 77 2.765 16.381 -7.812 1.00 0.00 C ATOM 1164 C THR A 77 1.465 15.705 -8.253 1.00 0.00 C ATOM 1165 O THR A 77 1.344 15.244 -9.389 1.00 0.00 O ATOM 1166 CB THR A 77 2.950 17.749 -8.523 1.00 0.00 C ATOM 1167 OG1 THR A 77 1.858 18.620 -8.208 1.00 0.00 O ATOM 1168 CG2 THR A 77 3.065 17.596 -10.034 1.00 0.00 C ATOM 0 H THR A 77 3.594 14.576 -8.421 1.00 0.00 H new ATOM 0 HA THR A 77 2.723 16.593 -6.744 1.00 0.00 H new ATOM 0 HB THR A 77 3.883 18.181 -8.160 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.985 19.480 -8.660 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.193 18.578 -10.490 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.925 16.970 -10.272 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.159 17.131 -10.423 1.00 0.00 H new ATOM 1176 N GLU A 78 0.555 15.609 -7.298 1.00 0.00 N ATOM 1177 CA GLU A 78 -0.771 14.976 -7.441 1.00 0.00 C ATOM 1178 C GLU A 78 -1.317 14.925 -8.879 1.00 0.00 C ATOM 1179 O GLU A 78 -1.507 13.842 -9.432 1.00 0.00 O ATOM 1180 CB GLU A 78 -1.764 15.729 -6.557 1.00 0.00 C ATOM 1181 CG GLU A 78 -3.189 15.214 -6.643 1.00 0.00 C ATOM 1182 CD GLU A 78 -4.171 16.165 -6.002 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -4.612 17.112 -6.684 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -4.495 15.982 -4.811 1.00 0.00 O ATOM 0 H GLU A 78 0.713 15.980 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.646 13.936 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.430 15.668 -5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.753 16.783 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.458 15.064 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.254 14.242 -6.155 1.00 0.00 H new ATOM 1191 N ASN A 79 -1.560 16.092 -9.473 1.00 0.00 N ATOM 1192 CA ASN A 79 -2.300 16.194 -10.735 1.00 0.00 C ATOM 1193 C ASN A 79 -1.677 15.356 -11.856 1.00 0.00 C ATOM 1194 O ASN A 79 -2.388 14.802 -12.696 1.00 0.00 O ATOM 1195 CB ASN A 79 -2.379 17.657 -11.173 1.00 0.00 C ATOM 1196 CG ASN A 79 -3.402 17.893 -12.267 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -3.214 18.745 -13.134 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -4.507 17.169 -12.217 1.00 0.00 N ATOM 0 H ASN A 79 -1.253 16.990 -9.098 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.299 15.799 -10.552 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.628 18.276 -10.311 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.399 17.979 -11.524 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.240 17.308 -12.913 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.627 16.471 -11.483 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.358 15.256 -11.860 1.00 0.00 N ATOM 1206 CA LYS A 80 0.351 14.549 -12.916 1.00 0.00 C ATOM 1207 C LYS A 80 1.408 13.630 -12.321 1.00 0.00 C ATOM 1208 O LYS A 80 2.553 13.593 -12.779 1.00 0.00 O ATOM 1209 CB LYS A 80 0.997 15.548 -13.875 1.00 0.00 C ATOM 1210 CG LYS A 80 1.924 16.535 -13.184 1.00 0.00 C ATOM 1211 CD LYS A 80 2.613 17.452 -14.182 1.00 0.00 C ATOM 1212 CE LYS A 80 3.501 16.661 -15.130 1.00 0.00 C ATOM 1213 NZ LYS A 80 4.201 17.536 -16.104 1.00 0.00 N ATOM 0 H LYS A 80 0.246 15.656 -11.142 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.364 13.941 -13.471 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.559 15.002 -14.632 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.214 16.099 -14.395 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.354 17.133 -12.473 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.675 15.990 -12.612 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.864 18.001 -14.753 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.212 18.190 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.237 16.101 -14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.896 15.932 -15.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.794 16.954 -16.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.500 18.052 -16.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.800 18.216 -15.593 1.00 0.00 H new ATOM 1227 N ILE A 81 1.009 12.905 -11.288 1.00 0.00 N ATOM 1228 CA ILE A 81 1.900 11.987 -10.588 1.00 0.00 C ATOM 1229 C ILE A 81 2.659 11.061 -11.535 1.00 0.00 C ATOM 1230 O ILE A 81 2.076 10.259 -12.270 1.00 0.00 O ATOM 1231 CB ILE A 81 1.152 11.133 -9.548 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -0.151 10.588 -10.138 1.00 0.00 C ATOM 1233 CG2 ILE A 81 0.890 11.937 -8.282 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -0.892 9.648 -9.214 1.00 0.00 C ATOM 0 H ILE A 81 0.062 12.934 -10.910 1.00 0.00 H new ATOM 0 HA ILE A 81 2.621 12.626 -10.077 1.00 0.00 H new ATOM 0 HB ILE A 81 1.780 10.284 -9.280 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.803 11.424 -10.390 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.072 10.067 -11.069 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.361 11.316 -7.560 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.839 12.262 -7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.283 12.809 -8.524 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.804 9.303 -9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.259 8.792 -8.982 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.148 10.170 -8.292 1.00 0.00 H new ATOM 1246 N HIS A 82 3.970 11.210 -11.508 1.00 0.00 N ATOM 1247 CA HIS A 82 4.876 10.334 -12.225 1.00 0.00 C ATOM 1248 C HIS A 82 5.884 9.795 -11.224 1.00 0.00 C ATOM 1249 O HIS A 82 7.084 10.060 -11.308 1.00 0.00 O ATOM 1250 CB HIS A 82 5.567 11.092 -13.370 1.00 0.00 C ATOM 1251 CG HIS A 82 6.547 10.275 -14.171 1.00 0.00 C ATOM 1252 ND1 HIS A 82 7.619 10.832 -14.834 1.00 0.00 N ATOM 1253 CD2 HIS A 82 6.618 8.942 -14.406 1.00 0.00 C ATOM 1254 CE1 HIS A 82 8.303 9.881 -15.441 1.00 0.00 C ATOM 1255 NE2 HIS A 82 7.720 8.724 -15.197 1.00 0.00 N ATOM 0 H HIS A 82 4.439 11.948 -10.984 1.00 0.00 H new ATOM 0 HA HIS A 82 4.332 9.506 -12.680 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.802 11.479 -14.044 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.089 11.953 -12.953 1.00 0.00 H new ATOM 0 HD2 HIS A 82 5.935 8.190 -14.039 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.191 10.026 -16.038 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.035 7.816 -15.539 1.00 0.00 H new ATOM 1264 N GLY A 83 5.372 9.072 -10.246 1.00 0.00 N ATOM 1265 CA GLY A 83 6.198 8.617 -9.154 1.00 0.00 C ATOM 1266 C GLY A 83 6.608 7.174 -9.302 1.00 0.00 C ATOM 1267 O GLY A 83 6.102 6.462 -10.169 1.00 0.00 O ATOM 0 H GLY A 83 4.393 8.791 -10.189 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.090 9.240 -9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.657 8.743 -8.216 1.00 0.00 H new ATOM 1271 N THR A 84 7.532 6.753 -8.457 1.00 0.00 N ATOM 1272 CA THR A 84 8.014 5.389 -8.447 1.00 0.00 C ATOM 1273 C THR A 84 7.867 4.789 -7.054 1.00 0.00 C ATOM 1274 O THR A 84 7.659 5.509 -6.076 1.00 0.00 O ATOM 1275 CB THR A 84 9.500 5.333 -8.870 1.00 0.00 C ATOM 1276 OG1 THR A 84 10.247 6.333 -8.161 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.657 5.546 -10.370 1.00 0.00 C ATOM 0 H THR A 84 7.969 7.352 -7.757 1.00 0.00 H new ATOM 0 HA THR A 84 7.419 4.815 -9.157 1.00 0.00 H new ATOM 0 HB THR A 84 9.883 4.343 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.188 6.292 -8.432 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.713 5.501 -10.635 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.114 4.768 -10.907 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.256 6.522 -10.643 1.00 0.00 H new ATOM 1285 N ALA A 85 7.947 3.479 -6.965 1.00 0.00 N ATOM 1286 CA ALA A 85 8.000 2.806 -5.680 1.00 0.00 C ATOM 1287 C ALA A 85 8.925 1.608 -5.777 1.00 0.00 C ATOM 1288 O ALA A 85 8.822 0.812 -6.713 1.00 0.00 O ATOM 1289 CB ALA A 85 6.611 2.387 -5.223 1.00 0.00 C ATOM 0 H ALA A 85 7.977 2.854 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 85 8.391 3.498 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.681 1.885 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.978 3.269 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.177 1.706 -5.955 1.00 0.00 H new ATOM 1295 N ASP A 86 9.814 1.473 -4.810 1.00 0.00 N ATOM 1296 CA ASP A 86 10.843 0.445 -4.867 1.00 0.00 C ATOM 1297 C ASP A 86 10.581 -0.609 -3.808 1.00 0.00 C ATOM 1298 O ASP A 86 10.518 -0.312 -2.615 1.00 0.00 O ATOM 1299 CB ASP A 86 12.221 1.074 -4.685 1.00 0.00 C ATOM 1300 CG ASP A 86 13.337 0.222 -5.254 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.382 0.052 -6.495 1.00 0.00 O ATOM 1302 OD2 ASP A 86 14.194 -0.249 -4.483 1.00 0.00 O ATOM 0 H ASP A 86 9.846 2.060 -3.976 1.00 0.00 H new ATOM 0 HA ASP A 86 10.816 -0.038 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.235 2.052 -5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.402 1.239 -3.623 1.00 0.00 H new ATOM 1307 N ILE A 87 10.395 -1.834 -4.255 1.00 0.00 N ATOM 1308 CA ILE A 87 9.947 -2.901 -3.374 1.00 0.00 C ATOM 1309 C ILE A 87 10.986 -4.017 -3.245 1.00 0.00 C ATOM 1310 O ILE A 87 11.797 -4.235 -4.147 1.00 0.00 O ATOM 1311 CB ILE A 87 8.608 -3.489 -3.871 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.790 -4.180 -5.225 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.566 -2.383 -3.979 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.509 -4.761 -5.795 1.00 0.00 C ATOM 0 H ILE A 87 10.546 -2.119 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 87 9.806 -2.460 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 87 8.265 -4.233 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.200 -3.463 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.524 -4.979 -5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.624 -2.804 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.417 -1.926 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.910 -1.626 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.719 -5.233 -6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.108 -5.503 -5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.779 -3.964 -5.935 1.00 0.00 H new ATOM 1326 N TYR A 88 10.943 -4.724 -2.120 1.00 0.00 N ATOM 1327 CA TYR A 88 11.865 -5.825 -1.855 1.00 0.00 C ATOM 1328 C TYR A 88 11.123 -7.023 -1.271 1.00 0.00 C ATOM 1329 O TYR A 88 10.113 -6.870 -0.576 1.00 0.00 O ATOM 1330 CB TYR A 88 12.970 -5.397 -0.881 1.00 0.00 C ATOM 1331 CG TYR A 88 14.050 -4.523 -1.486 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.797 -3.208 -1.852 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.334 -5.017 -1.682 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.787 -2.414 -2.397 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.330 -4.228 -2.223 1.00 0.00 C ATOM 1336 CZ TYR A 88 16.051 -2.928 -2.580 1.00 0.00 C ATOM 1337 OH TYR A 88 17.040 -2.137 -3.120 1.00 0.00 O ATOM 0 H TYR A 88 10.273 -4.552 -1.370 1.00 0.00 H new ATOM 0 HA TYR A 88 12.317 -6.107 -2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.513 -4.861 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.436 -6.291 -0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.808 -2.798 -1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.557 -6.037 -1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.570 -1.394 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.323 -4.629 -2.365 1.00 0.00 H new ATOM 0 HH TYR A 88 17.873 -2.650 -3.181 1.00 0.00 H new ATOM 1347 N LYS A 89 11.622 -8.210 -1.568 1.00 0.00 N ATOM 1348 CA LYS A 89 11.107 -9.431 -0.979 1.00 0.00 C ATOM 1349 C LYS A 89 12.103 -9.969 0.038 1.00 0.00 C ATOM 1350 O LYS A 89 13.303 -9.713 -0.064 1.00 0.00 O ATOM 1351 CB LYS A 89 10.831 -10.481 -2.044 1.00 0.00 C ATOM 1352 CG LYS A 89 12.065 -11.017 -2.734 1.00 0.00 C ATOM 1353 CD LYS A 89 11.689 -12.181 -3.617 1.00 0.00 C ATOM 1354 CE LYS A 89 12.874 -12.697 -4.422 1.00 0.00 C ATOM 1355 NZ LYS A 89 12.490 -13.811 -5.333 1.00 0.00 N ATOM 0 H LYS A 89 12.392 -8.353 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 89 10.165 -9.201 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.297 -11.313 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.168 -10.052 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.530 -10.232 -3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.800 -11.333 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.291 -12.988 -3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.894 -11.877 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.297 -11.881 -5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.653 -13.039 -3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.327 -14.132 -5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.110 -14.601 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.765 -13.479 -6.001 1.00 0.00 H new ATOM 1369 N LYS A 90 11.604 -10.700 1.020 1.00 0.00 N ATOM 1370 CA LYS A 90 12.456 -11.284 2.042 1.00 0.00 C ATOM 1371 C LYS A 90 13.227 -12.461 1.453 1.00 0.00 C ATOM 1372 O LYS A 90 12.720 -13.168 0.582 1.00 0.00 O ATOM 1373 CB LYS A 90 11.605 -11.753 3.226 1.00 0.00 C ATOM 1374 CG LYS A 90 12.397 -12.065 4.489 1.00 0.00 C ATOM 1375 CD LYS A 90 11.547 -12.796 5.523 1.00 0.00 C ATOM 1376 CE LYS A 90 10.271 -12.032 5.860 1.00 0.00 C ATOM 1377 NZ LYS A 90 10.535 -10.784 6.629 1.00 0.00 N ATOM 0 H LYS A 90 10.611 -10.904 1.131 1.00 0.00 H new ATOM 0 HA LYS A 90 13.163 -10.533 2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.868 -10.983 3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.052 -12.644 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.263 -12.675 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.776 -11.138 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.288 -13.785 5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.131 -12.945 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.748 -11.782 4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.608 -12.676 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.658 -10.468 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.259 -10.969 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.873 -10.043 5.982 1.00 0.00 H new ATOM 1391 N LYS A 91 14.452 -12.662 1.913 1.00 0.00 N ATOM 1392 CA LYS A 91 15.255 -13.781 1.440 1.00 0.00 C ATOM 1393 C LYS A 91 14.915 -15.052 2.203 1.00 0.00 C ATOM 1394 O LYS A 91 13.938 -15.108 2.949 1.00 0.00 O ATOM 1395 CB LYS A 91 16.748 -13.499 1.592 1.00 0.00 C ATOM 1396 CG LYS A 91 17.271 -12.399 0.693 1.00 0.00 C ATOM 1397 CD LYS A 91 18.782 -12.310 0.794 1.00 0.00 C ATOM 1398 CE LYS A 91 19.463 -13.360 -0.068 1.00 0.00 C ATOM 1399 NZ LYS A 91 20.942 -13.318 0.073 1.00 0.00 N ATOM 0 H LYS A 91 14.910 -12.071 2.607 1.00 0.00 H new ATOM 0 HA LYS A 91 15.024 -13.915 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.951 -13.232 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.301 -14.415 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.980 -12.594 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.824 -11.446 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.110 -11.317 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.086 -12.438 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.100 -14.349 0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.193 -13.203 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.384 -13.480 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.230 -12.387 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.249 -14.058 0.737 1.00 0.00 H new ATOM 1413 N LEU A 92 15.749 -16.065 2.026 1.00 0.00 N ATOM 1414 CA LEU A 92 15.556 -17.346 2.686 1.00 0.00 C ATOM 1415 C LEU A 92 16.631 -17.565 3.743 1.00 0.00 C ATOM 1416 O LEU A 92 16.727 -18.635 4.344 1.00 0.00 O ATOM 1417 CB LEU A 92 15.550 -18.480 1.651 1.00 0.00 C ATOM 1418 CG LEU A 92 16.636 -18.408 0.567 1.00 0.00 C ATOM 1419 CD1 LEU A 92 17.997 -18.819 1.110 1.00 0.00 C ATOM 1420 CD2 LEU A 92 16.252 -19.276 -0.617 1.00 0.00 C ATOM 0 H LEU A 92 16.572 -16.023 1.426 1.00 0.00 H new ATOM 0 HA LEU A 92 14.589 -17.345 3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.654 -19.428 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.576 -18.493 1.161 1.00 0.00 H new ATOM 0 HG LEU A 92 16.713 -17.372 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.740 -18.756 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 92 18.280 -18.153 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.947 -19.843 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.029 -19.217 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.142 -20.310 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.308 -18.926 -1.034 1.00 0.00 H new ATOM 1432 N GLU A 93 17.431 -16.532 3.967 1.00 0.00 N ATOM 1433 CA GLU A 93 18.496 -16.585 4.953 1.00 0.00 C ATOM 1434 C GLU A 93 18.055 -15.880 6.221 1.00 0.00 C ATOM 1435 O GLU A 93 17.694 -14.705 6.192 1.00 0.00 O ATOM 1436 CB GLU A 93 19.763 -15.914 4.419 1.00 0.00 C ATOM 1437 CG GLU A 93 20.247 -16.467 3.093 1.00 0.00 C ATOM 1438 CD GLU A 93 21.527 -15.804 2.632 1.00 0.00 C ATOM 1439 OE1 GLU A 93 21.504 -14.587 2.353 1.00 0.00 O ATOM 1440 OE2 GLU A 93 22.565 -16.494 2.552 1.00 0.00 O ATOM 0 H GLU A 93 17.360 -15.642 3.474 1.00 0.00 H new ATOM 0 HA GLU A 93 18.714 -17.631 5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 93 19.576 -14.846 4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 93 20.557 -16.023 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 93 20.409 -17.541 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.474 -16.325 2.338 1.00 0.00 H new