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 82 HIS : no HD1:sc= -0.109 K(o=0.43,f=-0.22) USER MOD Set 1.2: A 84 THR OG1 : rot 115:sc= 0.536 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 178:sc= -0.344! (180deg=-1.94!) USER MOD Set 2.2: A 42 THR OG1 : rot -136:sc= 1.1 USER MOD Single : A 25 MET CE :methyl -171:sc= -0.159 (180deg=-0.375) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0269) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 1.3 (180deg=0.387) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -167:sc= 1.21 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 44 SER OG : rot 28:sc= 1.12 USER MOD Single : A 45 THR OG1 : rot 27:sc= -1.5! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -154:sc= 1.26 (180deg=1.21) USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= 1.14 (180deg=0.723) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0733) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 74 SER OG : rot -12:sc= 0.614 USER MOD Single : A 76 GLN : amide:sc= -5.06! K(o=-5.1!,f=-0.87) USER MOD Single : A 77 THR OG1 : rot 56:sc= 0.0453 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 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= -0.0207 (180deg=-0.21) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= 2.27 (180deg=2.16) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.061 -6.692 2.031 1.00 0.00 N ATOM 329 CA ALA A 22 3.967 -5.566 1.869 1.00 0.00 C ATOM 330 C ALA A 22 3.926 -4.654 3.091 1.00 0.00 C ATOM 331 O ALA A 22 2.874 -4.109 3.436 1.00 0.00 O ATOM 332 CB ALA A 22 3.608 -4.789 0.616 1.00 0.00 C ATOM 0 HA ALA A 22 4.982 -5.950 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.291 -3.947 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.689 -5.442 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.586 -4.419 0.698 1.00 0.00 H new ATOM 338 N GLU A 23 5.068 -4.505 3.744 1.00 0.00 N ATOM 339 CA GLU A 23 5.166 -3.723 4.966 1.00 0.00 C ATOM 340 C GLU A 23 6.103 -2.527 4.768 1.00 0.00 C ATOM 341 O GLU A 23 6.960 -2.535 3.881 1.00 0.00 O ATOM 342 CB GLU A 23 5.659 -4.634 6.096 1.00 0.00 C ATOM 343 CG GLU A 23 5.620 -4.010 7.479 1.00 0.00 C ATOM 344 CD GLU A 23 5.855 -5.033 8.573 1.00 0.00 C ATOM 345 OE1 GLU A 23 7.024 -5.321 8.894 1.00 0.00 O ATOM 346 OE2 GLU A 23 4.865 -5.566 9.113 1.00 0.00 O ATOM 0 H GLU A 23 5.949 -4.921 3.443 1.00 0.00 H new ATOM 0 HA GLU A 23 4.186 -3.325 5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.053 -5.540 6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.683 -4.938 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.377 -3.229 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.653 -3.531 7.633 1.00 0.00 H new ATOM 353 N ILE A 24 5.912 -1.490 5.575 1.00 0.00 N ATOM 354 CA ILE A 24 6.735 -0.288 5.497 1.00 0.00 C ATOM 355 C ILE A 24 7.876 -0.362 6.509 1.00 0.00 C ATOM 356 O ILE A 24 7.646 -0.599 7.698 1.00 0.00 O ATOM 357 CB ILE A 24 5.901 0.986 5.776 1.00 0.00 C ATOM 358 CG1 ILE A 24 4.773 1.136 4.750 1.00 0.00 C ATOM 359 CG2 ILE A 24 6.788 2.225 5.776 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.252 1.429 3.343 1.00 0.00 C ATOM 0 H ILE A 24 5.190 -1.457 6.295 1.00 0.00 H new ATOM 0 HA ILE A 24 7.136 -0.232 4.485 1.00 0.00 H new ATOM 0 HB ILE A 24 5.454 0.884 6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.183 0.220 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.109 1.939 5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.180 3.108 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.549 2.128 6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.270 2.327 4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.393 1.521 2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.816 2.362 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.892 0.616 3.000 1.00 0.00 H new ATOM 372 N MET A 25 9.099 -0.161 6.044 1.00 0.00 N ATOM 373 CA MET A 25 10.262 -0.218 6.922 1.00 0.00 C ATOM 374 C MET A 25 10.879 1.161 7.113 1.00 0.00 C ATOM 375 O MET A 25 10.799 2.019 6.231 1.00 0.00 O ATOM 376 CB MET A 25 11.309 -1.189 6.372 1.00 0.00 C ATOM 377 CG MET A 25 11.174 -2.608 6.908 1.00 0.00 C ATOM 378 SD MET A 25 9.518 -3.290 6.699 1.00 0.00 S ATOM 379 CE MET A 25 9.750 -4.949 7.340 1.00 0.00 C ATOM 0 H MET A 25 9.314 0.042 5.068 1.00 0.00 H new ATOM 0 HA MET A 25 9.923 -0.578 7.893 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.233 -1.213 5.285 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.303 -0.812 6.614 1.00 0.00 H new ATOM 0 HG2 MET A 25 11.892 -3.252 6.400 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.433 -2.616 7.967 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.862 -5.546 7.133 1.00 0.00 H new ATOM 0 HE2 MET A 25 10.615 -5.407 6.860 1.00 0.00 H new ATOM 0 HE3 MET A 25 9.914 -4.903 8.417 1.00 0.00 H new ATOM 389 N LYS A 26 11.477 1.363 8.283 1.00 0.00 N ATOM 390 CA LYS A 26 12.170 2.603 8.612 1.00 0.00 C ATOM 391 C LYS A 26 13.365 2.795 7.688 1.00 0.00 C ATOM 392 O LYS A 26 13.899 1.826 7.169 1.00 0.00 O ATOM 393 CB LYS A 26 12.634 2.546 10.066 1.00 0.00 C ATOM 394 CG LYS A 26 11.502 2.282 11.049 1.00 0.00 C ATOM 395 CD LYS A 26 12.025 1.932 12.435 1.00 0.00 C ATOM 396 CE LYS A 26 12.726 0.582 12.441 1.00 0.00 C ATOM 397 NZ LYS A 26 13.236 0.217 13.787 1.00 0.00 N ATOM 0 H LYS A 26 11.494 0.670 9.031 1.00 0.00 H new ATOM 0 HA LYS A 26 11.491 3.446 8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.386 1.764 10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.117 3.489 10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.864 3.163 11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.882 1.466 10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.718 2.704 12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.198 1.917 13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.033 -0.186 12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.555 0.603 11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.705 -0.710 13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.918 0.935 14.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.443 0.170 14.458 1.00 0.00 H new ATOM 411 N LYS A 27 13.789 4.036 7.495 1.00 0.00 N ATOM 412 CA LYS A 27 14.858 4.342 6.544 1.00 0.00 C ATOM 413 C LYS A 27 16.147 3.582 6.872 1.00 0.00 C ATOM 414 O LYS A 27 16.731 2.936 6.001 1.00 0.00 O ATOM 415 CB LYS A 27 15.130 5.848 6.509 1.00 0.00 C ATOM 416 CG LYS A 27 16.195 6.267 5.502 1.00 0.00 C ATOM 417 CD LYS A 27 15.849 5.813 4.090 1.00 0.00 C ATOM 418 CE LYS A 27 16.904 6.251 3.085 1.00 0.00 C ATOM 419 NZ LYS A 27 16.884 7.720 2.854 1.00 0.00 N ATOM 0 H LYS A 27 13.412 4.849 7.982 1.00 0.00 H new ATOM 0 HA LYS A 27 14.521 4.016 5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.201 6.368 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.437 6.174 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.304 7.351 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.157 5.845 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.755 4.727 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.880 6.222 3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.890 5.955 3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.740 5.734 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.547 7.960 2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.924 8.016 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.166 8.212 3.725 1.00 0.00 H new ATOM 433 N THR A 28 16.579 3.652 8.125 1.00 0.00 N ATOM 434 CA THR A 28 17.813 3.000 8.541 1.00 0.00 C ATOM 435 C THR A 28 17.653 1.481 8.517 1.00 0.00 C ATOM 436 O THR A 28 18.535 0.751 8.077 1.00 0.00 O ATOM 437 CB THR A 28 18.217 3.449 9.958 1.00 0.00 C ATOM 438 OG1 THR A 28 18.118 4.877 10.061 1.00 0.00 O ATOM 439 CG2 THR A 28 19.638 3.007 10.284 1.00 0.00 C ATOM 0 H THR A 28 16.094 4.153 8.869 1.00 0.00 H new ATOM 0 HA THR A 28 18.595 3.289 7.839 1.00 0.00 H new ATOM 0 HB THR A 28 17.539 2.983 10.673 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.374 5.158 10.964 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.900 3.336 11.290 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.703 1.920 10.229 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.330 3.448 9.566 1.00 0.00 H new ATOM 447 N ASP A 29 16.505 1.022 8.982 1.00 0.00 N ATOM 448 CA ASP A 29 16.205 -0.401 9.024 1.00 0.00 C ATOM 449 C ASP A 29 16.101 -0.967 7.617 1.00 0.00 C ATOM 450 O ASP A 29 16.620 -2.040 7.339 1.00 0.00 O ATOM 451 CB ASP A 29 14.898 -0.619 9.790 1.00 0.00 C ATOM 452 CG ASP A 29 14.476 -2.072 9.868 1.00 0.00 C ATOM 453 OD1 ASP A 29 14.974 -2.790 10.758 1.00 0.00 O ATOM 454 OD2 ASP A 29 13.619 -2.487 9.064 1.00 0.00 O ATOM 0 H ASP A 29 15.758 1.618 9.339 1.00 0.00 H new ATOM 0 HA ASP A 29 17.013 -0.924 9.536 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.009 -0.227 10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.105 -0.044 9.311 1.00 0.00 H new ATOM 459 N PHE A 30 15.460 -0.221 6.728 1.00 0.00 N ATOM 460 CA PHE A 30 15.283 -0.648 5.348 1.00 0.00 C ATOM 461 C PHE A 30 16.620 -0.834 4.646 1.00 0.00 C ATOM 462 O PHE A 30 16.828 -1.837 3.974 1.00 0.00 O ATOM 463 CB PHE A 30 14.425 0.353 4.568 1.00 0.00 C ATOM 464 CG PHE A 30 14.412 0.101 3.085 1.00 0.00 C ATOM 465 CD1 PHE A 30 13.769 -1.010 2.560 1.00 0.00 C ATOM 466 CD2 PHE A 30 15.052 0.972 2.219 1.00 0.00 C ATOM 467 CE1 PHE A 30 13.764 -1.243 1.199 1.00 0.00 C ATOM 468 CE2 PHE A 30 15.049 0.745 0.858 1.00 0.00 C ATOM 469 CZ PHE A 30 14.404 -0.364 0.347 1.00 0.00 C ATOM 0 H PHE A 30 15.052 0.689 6.941 1.00 0.00 H new ATOM 0 HA PHE A 30 14.770 -1.609 5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.403 0.315 4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 30 14.796 1.361 4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.267 -1.700 3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 30 15.560 1.840 2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.260 -2.112 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.550 1.433 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.400 -0.544 -0.718 1.00 0.00 H new ATOM 479 N ASP A 31 17.524 0.128 4.797 1.00 0.00 N ATOM 480 CA ASP A 31 18.806 0.050 4.108 1.00 0.00 C ATOM 481 C ASP A 31 19.645 -1.093 4.682 1.00 0.00 C ATOM 482 O ASP A 31 20.441 -1.712 3.973 1.00 0.00 O ATOM 483 CB ASP A 31 19.546 1.404 4.148 1.00 0.00 C ATOM 484 CG ASP A 31 20.698 1.472 5.137 1.00 0.00 C ATOM 485 OD1 ASP A 31 21.818 1.037 4.783 1.00 0.00 O ATOM 486 OD2 ASP A 31 20.506 2.002 6.249 1.00 0.00 O ATOM 0 H ASP A 31 17.397 0.956 5.379 1.00 0.00 H new ATOM 0 HA ASP A 31 18.627 -0.171 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.928 1.623 3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 31 18.829 2.187 4.393 1.00 0.00 H new ATOM 491 N LYS A 32 19.430 -1.387 5.957 1.00 0.00 N ATOM 492 CA LYS A 32 20.088 -2.502 6.625 1.00 0.00 C ATOM 493 C LYS A 32 19.494 -3.836 6.178 1.00 0.00 C ATOM 494 O LYS A 32 20.224 -4.776 5.857 1.00 0.00 O ATOM 495 CB LYS A 32 19.963 -2.325 8.143 1.00 0.00 C ATOM 496 CG LYS A 32 21.123 -1.560 8.770 1.00 0.00 C ATOM 497 CD LYS A 32 21.436 -0.309 7.974 1.00 0.00 C ATOM 498 CE LYS A 32 22.382 0.628 8.692 1.00 0.00 C ATOM 499 NZ LYS A 32 22.635 1.849 7.882 1.00 0.00 N ATOM 0 H LYS A 32 18.795 -0.860 6.557 1.00 0.00 H new ATOM 0 HA LYS A 32 21.143 -2.510 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.033 -1.801 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.893 -3.308 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.874 -1.290 9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.005 -2.199 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.873 -0.594 7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.507 0.218 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.960 0.908 9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.324 0.117 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.022 2.597 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.317 1.630 7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.743 2.175 7.458 1.00 0.00 H new ATOM 513 N VAL A 33 18.170 -3.917 6.117 1.00 0.00 N ATOM 514 CA VAL A 33 17.518 -5.160 5.716 1.00 0.00 C ATOM 515 C VAL A 33 17.584 -5.350 4.205 1.00 0.00 C ATOM 516 O VAL A 33 17.396 -6.454 3.714 1.00 0.00 O ATOM 517 CB VAL A 33 16.045 -5.253 6.185 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.960 -5.170 7.701 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.183 -4.181 5.535 1.00 0.00 C ATOM 0 H VAL A 33 17.534 -3.150 6.336 1.00 0.00 H new ATOM 0 HA VAL A 33 18.070 -5.959 6.211 1.00 0.00 H new ATOM 0 HB VAL A 33 15.657 -6.221 5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.917 -5.237 8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.524 -5.992 8.143 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.378 -4.221 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.156 -4.277 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.567 -3.196 5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.208 -4.301 4.452 1.00 0.00 H new ATOM 529 N ALA A 34 17.879 -4.274 3.472 1.00 0.00 N ATOM 530 CA ALA A 34 18.032 -4.338 2.013 1.00 0.00 C ATOM 531 C ALA A 34 19.177 -5.271 1.637 1.00 0.00 C ATOM 532 O ALA A 34 19.250 -5.770 0.514 1.00 0.00 O ATOM 533 CB ALA A 34 18.267 -2.949 1.434 1.00 0.00 C ATOM 0 H ALA A 34 18.018 -3.343 3.865 1.00 0.00 H new ATOM 0 HA ALA A 34 17.108 -4.734 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.378 -3.020 0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.418 -2.308 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.174 -2.524 1.864 1.00 0.00 H new ATOM 539 N SER A 35 20.068 -5.498 2.594 1.00 0.00 N ATOM 540 CA SER A 35 21.157 -6.442 2.429 1.00 0.00 C ATOM 541 C SER A 35 20.606 -7.870 2.462 1.00 0.00 C ATOM 542 O SER A 35 21.119 -8.767 1.788 1.00 0.00 O ATOM 543 CB SER A 35 22.206 -6.223 3.534 1.00 0.00 C ATOM 544 OG SER A 35 23.282 -7.141 3.424 1.00 0.00 O ATOM 0 H SER A 35 20.053 -5.033 3.502 1.00 0.00 H new ATOM 0 HA SER A 35 21.642 -6.284 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.589 -5.204 3.476 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.734 -6.331 4.511 1.00 0.00 H new ATOM 0 HG SER A 35 23.930 -6.973 4.140 1.00 0.00 H new ATOM 550 N GLU A 36 19.535 -8.057 3.227 1.00 0.00 N ATOM 551 CA GLU A 36 18.911 -9.363 3.393 1.00 0.00 C ATOM 552 C GLU A 36 17.605 -9.437 2.603 1.00 0.00 C ATOM 553 O GLU A 36 16.757 -10.298 2.854 1.00 0.00 O ATOM 554 CB GLU A 36 18.626 -9.621 4.871 1.00 0.00 C ATOM 555 CG GLU A 36 19.706 -9.095 5.797 1.00 0.00 C ATOM 556 CD GLU A 36 19.452 -9.455 7.247 1.00 0.00 C ATOM 557 OE1 GLU A 36 18.383 -9.090 7.775 1.00 0.00 O ATOM 558 OE2 GLU A 36 20.313 -10.113 7.863 1.00 0.00 O ATOM 0 H GLU A 36 19.077 -7.309 3.748 1.00 0.00 H new ATOM 0 HA GLU A 36 19.596 -10.122 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.675 -9.159 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.514 -10.694 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.671 -9.497 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.767 -8.011 5.700 1.00 0.00 H new ATOM 565 N TYR A 37 17.450 -8.531 1.646 1.00 0.00 N ATOM 566 CA TYR A 37 16.259 -8.483 0.802 1.00 0.00 C ATOM 567 C TYR A 37 16.657 -8.382 -0.670 1.00 0.00 C ATOM 568 O TYR A 37 17.806 -8.074 -0.990 1.00 0.00 O ATOM 569 CB TYR A 37 15.358 -7.299 1.180 1.00 0.00 C ATOM 570 CG TYR A 37 14.425 -7.552 2.352 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.906 -7.928 3.599 1.00 0.00 C ATOM 572 CD2 TYR A 37 13.054 -7.409 2.201 1.00 0.00 C ATOM 573 CE1 TYR A 37 14.049 -8.151 4.660 1.00 0.00 C ATOM 574 CE2 TYR A 37 12.193 -7.628 3.257 1.00 0.00 C ATOM 575 CZ TYR A 37 12.692 -7.999 4.483 1.00 0.00 C ATOM 576 OH TYR A 37 11.827 -8.216 5.535 1.00 0.00 O ATOM 0 H TYR A 37 18.141 -7.812 1.432 1.00 0.00 H new ATOM 0 HA TYR A 37 15.699 -9.404 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.989 -6.442 1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.760 -7.025 0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.970 -8.048 3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.653 -7.121 1.240 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.442 -8.443 5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.128 -7.508 3.120 1.00 0.00 H new ATOM 0 HH TYR A 37 10.908 -8.269 5.198 1.00 0.00 H new ATOM 586 N THR A 38 15.703 -8.634 -1.553 1.00 0.00 N ATOM 587 CA THR A 38 15.960 -8.626 -2.987 1.00 0.00 C ATOM 588 C THR A 38 14.983 -7.704 -3.712 1.00 0.00 C ATOM 589 O THR A 38 13.768 -7.847 -3.575 1.00 0.00 O ATOM 590 CB THR A 38 15.834 -10.045 -3.577 1.00 0.00 C ATOM 591 OG1 THR A 38 16.712 -10.944 -2.889 1.00 0.00 O ATOM 592 CG2 THR A 38 16.155 -10.054 -5.066 1.00 0.00 C ATOM 0 H THR A 38 14.738 -8.848 -1.301 1.00 0.00 H new ATOM 0 HA THR A 38 16.977 -8.262 -3.131 1.00 0.00 H new ATOM 0 HB THR A 38 14.802 -10.372 -3.446 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.624 -11.843 -3.270 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.057 -11.068 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.462 -9.397 -5.592 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.175 -9.703 -5.220 1.00 0.00 H new ATOM 600 N LYS A 39 15.523 -6.760 -4.475 1.00 0.00 N ATOM 601 CA LYS A 39 14.713 -5.858 -5.280 1.00 0.00 C ATOM 602 C LYS A 39 14.173 -6.585 -6.510 1.00 0.00 C ATOM 603 O LYS A 39 14.925 -6.911 -7.430 1.00 0.00 O ATOM 604 CB LYS A 39 15.539 -4.639 -5.708 1.00 0.00 C ATOM 605 CG LYS A 39 14.805 -3.694 -6.644 1.00 0.00 C ATOM 606 CD LYS A 39 15.699 -2.547 -7.086 1.00 0.00 C ATOM 607 CE LYS A 39 15.045 -1.716 -8.174 1.00 0.00 C ATOM 608 NZ LYS A 39 13.758 -1.126 -7.727 1.00 0.00 N ATOM 0 H LYS A 39 16.527 -6.600 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 39 13.871 -5.517 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.844 -4.089 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.450 -4.984 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.456 -4.243 -7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.922 -3.297 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.927 -1.912 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.647 -2.943 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.723 -0.918 -8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.873 -2.339 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.362 -0.539 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.089 -1.888 -7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.920 -0.537 -6.885 1.00 0.00 H new ATOM 622 N ILE A 40 12.874 -6.839 -6.518 1.00 0.00 N ATOM 623 CA ILE A 40 12.237 -7.544 -7.628 1.00 0.00 C ATOM 624 C ILE A 40 11.963 -6.605 -8.795 1.00 0.00 C ATOM 625 O ILE A 40 11.636 -7.043 -9.898 1.00 0.00 O ATOM 626 CB ILE A 40 10.922 -8.224 -7.197 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.026 -7.244 -6.429 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.218 -9.457 -6.362 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.735 -7.861 -5.928 1.00 0.00 C ATOM 0 H ILE A 40 12.236 -6.569 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 40 12.937 -8.316 -7.948 1.00 0.00 H new ATOM 0 HB ILE A 40 10.384 -8.535 -8.092 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.582 -6.847 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.787 -6.400 -7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.281 -9.928 -6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.808 -10.161 -6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.778 -9.168 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.155 -7.108 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.157 -8.233 -6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.964 -8.687 -5.254 1.00 0.00 H new ATOM 641 N GLY A 41 12.103 -5.316 -8.543 1.00 0.00 N ATOM 642 CA GLY A 41 11.912 -4.334 -9.582 1.00 0.00 C ATOM 643 C GLY A 41 11.293 -3.066 -9.047 1.00 0.00 C ATOM 644 O GLY A 41 11.033 -2.954 -7.848 1.00 0.00 O ATOM 0 H GLY A 41 12.347 -4.931 -7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.871 -4.103 -10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.274 -4.749 -10.362 1.00 0.00 H new ATOM 648 N THR A 42 11.105 -2.097 -9.918 1.00 0.00 N ATOM 649 CA THR A 42 10.446 -0.856 -9.552 1.00 0.00 C ATOM 650 C THR A 42 9.041 -0.812 -10.144 1.00 0.00 C ATOM 651 O THR A 42 8.765 -1.454 -11.163 1.00 0.00 O ATOM 652 CB THR A 42 11.245 0.354 -10.066 1.00 0.00 C ATOM 653 OG1 THR A 42 12.652 0.108 -9.917 1.00 0.00 O ATOM 654 CG2 THR A 42 10.879 1.623 -9.311 1.00 0.00 C ATOM 0 H THR A 42 11.401 -2.144 -10.893 1.00 0.00 H new ATOM 0 HA THR A 42 10.388 -0.812 -8.464 1.00 0.00 H new ATOM 0 HB THR A 42 10.997 0.493 -11.118 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.088 0.909 -9.559 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.462 2.458 -9.699 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.817 1.830 -9.441 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.096 1.491 -8.251 1.00 0.00 H new ATOM 662 N ILE A 43 8.158 -0.061 -9.509 1.00 0.00 N ATOM 663 CA ILE A 43 6.820 0.149 -10.037 1.00 0.00 C ATOM 664 C ILE A 43 6.589 1.639 -10.266 1.00 0.00 C ATOM 665 O ILE A 43 7.320 2.480 -9.735 1.00 0.00 O ATOM 666 CB ILE A 43 5.721 -0.412 -9.101 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.836 0.200 -7.708 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.796 -1.934 -9.025 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.830 -0.346 -6.716 1.00 0.00 C ATOM 0 H ILE A 43 8.343 0.414 -8.626 1.00 0.00 H new ATOM 0 HA ILE A 43 6.752 -0.394 -10.980 1.00 0.00 H new ATOM 0 HB ILE A 43 4.751 -0.140 -9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.842 0.024 -7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.708 1.280 -7.784 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.014 -2.304 -8.362 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.657 -2.355 -10.021 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.771 -2.231 -8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.974 0.136 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.820 -0.146 -7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.971 -1.422 -6.609 1.00 0.00 H new ATOM 681 N SER A 44 5.573 1.962 -11.042 1.00 0.00 N ATOM 682 CA SER A 44 5.302 3.344 -11.409 1.00 0.00 C ATOM 683 C SER A 44 3.811 3.519 -11.705 1.00 0.00 C ATOM 684 O SER A 44 3.064 2.539 -11.736 1.00 0.00 O ATOM 685 CB SER A 44 6.151 3.725 -12.630 1.00 0.00 C ATOM 686 OG SER A 44 6.039 5.103 -12.950 1.00 0.00 O ATOM 0 H SER A 44 4.918 1.286 -11.433 1.00 0.00 H new ATOM 0 HA SER A 44 5.566 4.003 -10.582 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.196 3.483 -12.434 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.840 3.128 -13.487 1.00 0.00 H new ATOM 0 HG SER A 44 5.827 5.611 -12.139 1.00 0.00 H new ATOM 692 N THR A 45 3.373 4.753 -11.913 1.00 0.00 N ATOM 693 CA THR A 45 1.960 5.014 -12.165 1.00 0.00 C ATOM 694 C THR A 45 1.731 5.619 -13.547 1.00 0.00 C ATOM 695 O THR A 45 2.179 6.729 -13.836 1.00 0.00 O ATOM 696 CB THR A 45 1.350 5.959 -11.108 1.00 0.00 C ATOM 697 OG1 THR A 45 2.035 7.211 -11.114 1.00 0.00 O ATOM 698 CG2 THR A 45 1.422 5.357 -9.716 1.00 0.00 C ATOM 0 H THR A 45 3.967 5.582 -11.913 1.00 0.00 H new ATOM 0 HA THR A 45 1.465 4.044 -12.109 1.00 0.00 H new ATOM 0 HB THR A 45 0.302 6.108 -11.367 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.421 7.368 -12.001 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.984 6.049 -8.997 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.871 4.417 -9.697 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.464 5.172 -9.453 1.00 0.00 H new ATOM 706 N THR A 46 1.029 4.896 -14.396 1.00 0.00 N ATOM 707 CA THR A 46 0.602 5.439 -15.667 1.00 0.00 C ATOM 708 C THR A 46 -0.916 5.431 -15.733 1.00 0.00 C ATOM 709 O THR A 46 -1.542 4.372 -15.775 1.00 0.00 O ATOM 710 CB THR A 46 1.181 4.656 -16.856 1.00 0.00 C ATOM 711 OG1 THR A 46 2.608 4.566 -16.726 1.00 0.00 O ATOM 712 CG2 THR A 46 0.835 5.340 -18.171 1.00 0.00 C ATOM 0 H THR A 46 0.743 3.932 -14.228 1.00 0.00 H new ATOM 0 HA THR A 46 0.977 6.460 -15.738 1.00 0.00 H new ATOM 0 HB THR A 46 0.746 3.656 -16.856 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.975 4.065 -17.484 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.255 4.769 -18.999 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.248 5.394 -18.279 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.251 6.348 -18.177 1.00 0.00 H new ATOM 720 N GLY A 47 -1.495 6.615 -15.710 1.00 0.00 N ATOM 721 CA GLY A 47 -2.937 6.737 -15.706 1.00 0.00 C ATOM 722 C GLY A 47 -3.399 8.067 -15.164 1.00 0.00 C ATOM 723 O GLY A 47 -4.553 8.445 -15.342 1.00 0.00 O ATOM 0 H GLY A 47 -0.991 7.502 -15.694 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.313 6.611 -16.721 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.365 5.934 -15.106 1.00 0.00 H new ATOM 727 N GLU A 48 -2.481 8.771 -14.511 1.00 0.00 N ATOM 728 CA GLU A 48 -2.735 10.112 -13.989 1.00 0.00 C ATOM 729 C GLU A 48 -3.897 10.112 -13.001 1.00 0.00 C ATOM 730 O GLU A 48 -5.021 10.485 -13.335 1.00 0.00 O ATOM 731 CB GLU A 48 -2.987 11.084 -15.146 1.00 0.00 C ATOM 732 CG GLU A 48 -1.824 11.159 -16.123 1.00 0.00 C ATOM 733 CD GLU A 48 -2.203 11.779 -17.449 1.00 0.00 C ATOM 734 OE1 GLU A 48 -2.665 11.040 -18.340 1.00 0.00 O ATOM 735 OE2 GLU A 48 -2.051 13.005 -17.608 1.00 0.00 O ATOM 0 H GLU A 48 -1.538 8.429 -14.328 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.852 10.444 -13.444 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.885 10.777 -15.682 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.180 12.078 -14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.017 11.739 -15.675 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.437 10.155 -16.296 1.00 0.00 H new ATOM 742 N MET A 49 -3.613 9.662 -11.786 1.00 0.00 N ATOM 743 CA MET A 49 -4.615 9.602 -10.730 1.00 0.00 C ATOM 744 C MET A 49 -4.218 10.537 -9.597 1.00 0.00 C ATOM 745 O MET A 49 -3.152 11.151 -9.646 1.00 0.00 O ATOM 746 CB MET A 49 -4.756 8.168 -10.202 1.00 0.00 C ATOM 747 CG MET A 49 -5.310 7.186 -11.224 1.00 0.00 C ATOM 748 SD MET A 49 -7.007 7.555 -11.701 1.00 0.00 S ATOM 749 CE MET A 49 -7.302 6.259 -12.902 1.00 0.00 C ATOM 0 H MET A 49 -2.690 9.331 -11.506 1.00 0.00 H new ATOM 0 HA MET A 49 -5.576 9.915 -11.138 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.780 7.817 -9.867 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.409 8.175 -9.329 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.678 7.198 -12.112 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.264 6.177 -10.813 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.315 6.350 -13.294 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.587 6.351 -13.720 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.183 5.286 -12.424 1.00 0.00 H new ATOM 759 N SER A 50 -5.068 10.645 -8.584 1.00 0.00 N ATOM 760 CA SER A 50 -4.762 11.477 -7.431 1.00 0.00 C ATOM 761 C SER A 50 -3.544 10.912 -6.696 1.00 0.00 C ATOM 762 O SER A 50 -3.385 9.696 -6.613 1.00 0.00 O ATOM 763 CB SER A 50 -5.976 11.534 -6.500 1.00 0.00 C ATOM 764 OG SER A 50 -7.133 11.964 -7.202 1.00 0.00 O ATOM 0 H SER A 50 -5.969 10.169 -8.538 1.00 0.00 H new ATOM 0 HA SER A 50 -4.529 12.489 -7.762 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.154 10.550 -6.067 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.774 12.215 -5.673 1.00 0.00 H new ATOM 0 HG SER A 50 -7.897 11.991 -6.588 1.00 0.00 H new ATOM 770 N PRO A 51 -2.674 11.789 -6.161 1.00 0.00 N ATOM 771 CA PRO A 51 -1.417 11.386 -5.516 1.00 0.00 C ATOM 772 C PRO A 51 -1.584 10.279 -4.475 1.00 0.00 C ATOM 773 O PRO A 51 -0.827 9.308 -4.469 1.00 0.00 O ATOM 774 CB PRO A 51 -0.903 12.677 -4.852 1.00 0.00 C ATOM 775 CG PRO A 51 -2.004 13.676 -4.988 1.00 0.00 C ATOM 776 CD PRO A 51 -2.826 13.247 -6.171 1.00 0.00 C ATOM 0 HA PRO A 51 -0.730 10.963 -6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.659 12.506 -3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.007 13.030 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.612 13.708 -4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.602 14.678 -5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.869 13.546 -6.068 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.459 13.686 -7.099 1.00 0.00 H new ATOM 784 N LEU A 52 -2.573 10.418 -3.603 1.00 0.00 N ATOM 785 CA LEU A 52 -2.807 9.426 -2.561 1.00 0.00 C ATOM 786 C LEU A 52 -3.358 8.137 -3.159 1.00 0.00 C ATOM 787 O LEU A 52 -2.968 7.042 -2.759 1.00 0.00 O ATOM 788 CB LEU A 52 -3.778 9.971 -1.509 1.00 0.00 C ATOM 789 CG LEU A 52 -3.296 11.212 -0.755 1.00 0.00 C ATOM 790 CD1 LEU A 52 -4.380 11.723 0.183 1.00 0.00 C ATOM 791 CD2 LEU A 52 -2.029 10.898 0.021 1.00 0.00 C ATOM 0 H LEU A 52 -3.224 11.204 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.853 9.208 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.723 10.208 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.983 9.183 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.075 11.993 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.018 12.606 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.267 11.983 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.632 10.947 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.697 11.790 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.229 10.102 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.250 10.577 -0.670 1.00 0.00 H new ATOM 803 N ASP A 53 -4.239 8.277 -4.139 1.00 0.00 N ATOM 804 CA ASP A 53 -4.900 7.123 -4.747 1.00 0.00 C ATOM 805 C ASP A 53 -3.903 6.297 -5.549 1.00 0.00 C ATOM 806 O ASP A 53 -3.911 5.065 -5.497 1.00 0.00 O ATOM 807 CB ASP A 53 -6.055 7.577 -5.643 1.00 0.00 C ATOM 808 CG ASP A 53 -6.794 6.416 -6.287 1.00 0.00 C ATOM 809 OD1 ASP A 53 -7.372 5.592 -5.548 1.00 0.00 O ATOM 810 OD2 ASP A 53 -6.824 6.343 -7.534 1.00 0.00 O ATOM 0 H ASP A 53 -4.515 9.177 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.304 6.500 -3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.757 8.165 -5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.667 8.232 -6.423 1.00 0.00 H new ATOM 815 N ALA A 54 -3.031 6.991 -6.273 1.00 0.00 N ATOM 816 CA ALA A 54 -1.998 6.337 -7.063 1.00 0.00 C ATOM 817 C ALA A 54 -0.999 5.615 -6.166 1.00 0.00 C ATOM 818 O ALA A 54 -0.487 4.553 -6.519 1.00 0.00 O ATOM 819 CB ALA A 54 -1.285 7.352 -7.942 1.00 0.00 C ATOM 0 H ALA A 54 -3.021 8.009 -6.328 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.477 5.594 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.515 6.849 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.004 7.820 -8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.824 8.116 -7.316 1.00 0.00 H new ATOM 825 N ARG A 55 -0.744 6.183 -4.991 1.00 0.00 N ATOM 826 CA ARG A 55 0.178 5.589 -4.047 1.00 0.00 C ATOM 827 C ARG A 55 -0.425 4.330 -3.449 1.00 0.00 C ATOM 828 O ARG A 55 0.239 3.300 -3.369 1.00 0.00 O ATOM 829 CB ARG A 55 0.552 6.596 -2.953 1.00 0.00 C ATOM 830 CG ARG A 55 1.906 7.255 -3.180 1.00 0.00 C ATOM 831 CD ARG A 55 2.275 8.211 -2.053 1.00 0.00 C ATOM 832 NE ARG A 55 3.661 8.679 -2.169 1.00 0.00 N ATOM 833 CZ ARG A 55 4.186 9.674 -1.445 1.00 0.00 C ATOM 834 NH1 ARG A 55 3.453 10.317 -0.550 1.00 0.00 N ATOM 835 NH2 ARG A 55 5.460 9.998 -1.591 1.00 0.00 N ATOM 0 H ARG A 55 -1.167 7.056 -4.676 1.00 0.00 H new ATOM 0 HA ARG A 55 1.092 5.313 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.216 7.368 -2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.560 6.088 -1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.673 6.485 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.890 7.798 -4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.600 9.067 -2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.139 7.712 -1.094 1.00 0.00 H new ATOM 0 HE ARG A 55 4.265 8.214 -2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.478 10.055 -0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.864 11.074 -0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.043 9.489 -2.256 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.860 10.757 -1.039 1.00 0.00 H new ATOM 849 N GLU A 56 -1.698 4.406 -3.070 1.00 0.00 N ATOM 850 CA GLU A 56 -2.398 3.253 -2.511 1.00 0.00 C ATOM 851 C GLU A 56 -2.400 2.086 -3.493 1.00 0.00 C ATOM 852 O GLU A 56 -2.256 0.932 -3.097 1.00 0.00 O ATOM 853 CB GLU A 56 -3.841 3.613 -2.140 1.00 0.00 C ATOM 854 CG GLU A 56 -3.956 4.685 -1.069 1.00 0.00 C ATOM 855 CD GLU A 56 -3.275 4.302 0.228 1.00 0.00 C ATOM 856 OE1 GLU A 56 -3.870 3.539 1.016 1.00 0.00 O ATOM 857 OE2 GLU A 56 -2.151 4.781 0.476 1.00 0.00 O ATOM 0 H GLU A 56 -2.265 5.251 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.865 2.955 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.362 3.952 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.352 2.714 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.520 5.612 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.010 4.885 -0.874 1.00 0.00 H new ATOM 864 N ASP A 57 -2.541 2.392 -4.778 1.00 0.00 N ATOM 865 CA ASP A 57 -2.594 1.352 -5.798 1.00 0.00 C ATOM 866 C ASP A 57 -1.222 0.729 -5.997 1.00 0.00 C ATOM 867 O ASP A 57 -1.104 -0.468 -6.252 1.00 0.00 O ATOM 868 CB ASP A 57 -3.117 1.906 -7.120 1.00 0.00 C ATOM 869 CG ASP A 57 -3.414 0.801 -8.113 1.00 0.00 C ATOM 870 OD1 ASP A 57 -4.391 0.053 -7.894 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.672 0.674 -9.114 1.00 0.00 O ATOM 0 H ASP A 57 -2.620 3.344 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.284 0.581 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.022 2.485 -6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.381 2.589 -7.545 1.00 0.00 H new ATOM 876 N LEU A 58 -0.185 1.546 -5.868 1.00 0.00 N ATOM 877 CA LEU A 58 1.184 1.051 -5.916 1.00 0.00 C ATOM 878 C LEU A 58 1.427 0.090 -4.763 1.00 0.00 C ATOM 879 O LEU A 58 2.045 -0.957 -4.928 1.00 0.00 O ATOM 880 CB LEU A 58 2.177 2.211 -5.831 1.00 0.00 C ATOM 881 CG LEU A 58 2.278 3.086 -7.077 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.300 4.192 -6.863 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.648 2.241 -8.288 1.00 0.00 C ATOM 0 H LEU A 58 -0.266 2.553 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 58 1.330 0.530 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.899 2.842 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.165 1.805 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 58 1.307 3.545 -7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.362 4.809 -7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.996 4.810 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.276 3.751 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.716 2.879 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.609 1.758 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.883 1.481 -8.449 1.00 0.00 H new ATOM 895 N ILE A 59 0.904 0.456 -3.604 1.00 0.00 N ATOM 896 CA ILE A 59 1.044 -0.340 -2.396 1.00 0.00 C ATOM 897 C ILE A 59 0.300 -1.661 -2.551 1.00 0.00 C ATOM 898 O ILE A 59 0.787 -2.716 -2.141 1.00 0.00 O ATOM 899 CB ILE A 59 0.513 0.441 -1.171 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.337 1.717 -0.981 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.570 -0.416 0.087 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.567 2.860 -0.353 1.00 0.00 C ATOM 0 H ILE A 59 0.370 1.315 -3.474 1.00 0.00 H new ATOM 0 HA ILE A 59 2.101 -0.552 -2.235 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.529 0.706 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.202 1.489 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.718 2.039 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.191 0.156 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.042 -1.307 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.602 -0.711 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.220 3.727 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.283 3.117 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.208 2.560 0.632 1.00 0.00 H new ATOM 914 N LYS A 60 -0.879 -1.590 -3.160 1.00 0.00 N ATOM 915 CA LYS A 60 -1.652 -2.783 -3.489 1.00 0.00 C ATOM 916 C LYS A 60 -0.860 -3.703 -4.401 1.00 0.00 C ATOM 917 O LYS A 60 -0.610 -4.858 -4.081 1.00 0.00 O ATOM 918 CB LYS A 60 -2.943 -2.406 -4.216 1.00 0.00 C ATOM 919 CG LYS A 60 -3.991 -1.703 -3.370 1.00 0.00 C ATOM 920 CD LYS A 60 -5.053 -1.061 -4.254 1.00 0.00 C ATOM 921 CE LYS A 60 -5.563 -2.025 -5.320 1.00 0.00 C ATOM 922 NZ LYS A 60 -6.190 -1.312 -6.465 1.00 0.00 N ATOM 0 H LYS A 60 -1.322 -0.714 -3.437 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.880 -3.289 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.690 -1.762 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.384 -3.313 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.458 -2.418 -2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.516 -0.941 -2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.887 -0.728 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.639 -0.175 -4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.735 -2.635 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.289 -2.705 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.885 -1.935 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.668 -0.455 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.456 -1.046 -7.152 1.00 0.00 H new ATOM 936 N LYS A 61 -0.467 -3.160 -5.539 1.00 0.00 N ATOM 937 CA LYS A 61 0.148 -3.933 -6.602 1.00 0.00 C ATOM 938 C LYS A 61 1.504 -4.483 -6.192 1.00 0.00 C ATOM 939 O LYS A 61 1.870 -5.588 -6.576 1.00 0.00 O ATOM 940 CB LYS A 61 0.274 -3.049 -7.820 1.00 0.00 C ATOM 941 CG LYS A 61 -0.198 -3.733 -9.073 1.00 0.00 C ATOM 942 CD LYS A 61 -0.924 -2.767 -9.996 1.00 0.00 C ATOM 943 CE LYS A 61 -0.169 -1.459 -10.158 1.00 0.00 C ATOM 944 NZ LYS A 61 -0.921 -0.495 -11.003 1.00 0.00 N ATOM 0 H LYS A 61 -0.566 -2.167 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.481 -4.795 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.304 -2.138 -7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.315 -2.749 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.655 -4.166 -9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.862 -4.556 -8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.059 -3.231 -10.973 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.919 -2.565 -9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.013 -1.019 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.805 -1.654 -10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.261 0.196 -11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.405 -1.008 -11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.624 0.002 -10.420 1.00 0.00 H new ATOM 958 N ALA A 62 2.245 -3.704 -5.430 1.00 0.00 N ATOM 959 CA ALA A 62 3.494 -4.177 -4.842 1.00 0.00 C ATOM 960 C ALA A 62 3.243 -5.369 -3.920 1.00 0.00 C ATOM 961 O ALA A 62 3.972 -6.361 -3.955 1.00 0.00 O ATOM 962 CB ALA A 62 4.176 -3.057 -4.081 1.00 0.00 C ATOM 0 H ALA A 62 2.009 -2.739 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 62 4.150 -4.502 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.106 -3.425 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.393 -2.234 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.519 -2.706 -3.285 1.00 0.00 H new ATOM 968 N ASP A 63 2.200 -5.258 -3.108 1.00 0.00 N ATOM 969 CA ASP A 63 1.781 -6.337 -2.217 1.00 0.00 C ATOM 970 C ASP A 63 1.369 -7.556 -3.042 1.00 0.00 C ATOM 971 O ASP A 63 1.741 -8.689 -2.736 1.00 0.00 O ATOM 972 CB ASP A 63 0.613 -5.845 -1.352 1.00 0.00 C ATOM 973 CG ASP A 63 0.128 -6.864 -0.342 1.00 0.00 C ATOM 974 OD1 ASP A 63 0.695 -6.923 0.771 1.00 0.00 O ATOM 975 OD2 ASP A 63 -0.854 -7.571 -0.639 1.00 0.00 O ATOM 0 H ASP A 63 1.621 -4.421 -3.047 1.00 0.00 H new ATOM 0 HA ASP A 63 2.606 -6.627 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.919 -4.942 -0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.217 -5.568 -2.002 1.00 0.00 H new ATOM 980 N GLU A 64 0.631 -7.294 -4.116 1.00 0.00 N ATOM 981 CA GLU A 64 0.185 -8.321 -5.048 1.00 0.00 C ATOM 982 C GLU A 64 1.360 -8.976 -5.768 1.00 0.00 C ATOM 983 O GLU A 64 1.330 -10.167 -6.081 1.00 0.00 O ATOM 984 CB GLU A 64 -0.755 -7.679 -6.060 1.00 0.00 C ATOM 985 CG GLU A 64 -2.061 -7.227 -5.450 1.00 0.00 C ATOM 986 CD GLU A 64 -2.921 -8.382 -4.979 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.496 -9.088 -5.833 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.038 -8.581 -3.752 1.00 0.00 O ATOM 0 H GLU A 64 0.323 -6.354 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.330 -9.103 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.258 -6.823 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.961 -8.391 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.854 -6.567 -4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.616 -6.642 -6.184 1.00 0.00 H new ATOM 995 N LYS A 65 2.391 -8.187 -6.031 1.00 0.00 N ATOM 996 CA LYS A 65 3.600 -8.676 -6.682 1.00 0.00 C ATOM 997 C LYS A 65 4.342 -9.645 -5.771 1.00 0.00 C ATOM 998 O LYS A 65 5.144 -10.463 -6.230 1.00 0.00 O ATOM 999 CB LYS A 65 4.515 -7.502 -7.047 1.00 0.00 C ATOM 1000 CG LYS A 65 4.781 -7.353 -8.539 1.00 0.00 C ATOM 1001 CD LYS A 65 3.493 -7.178 -9.329 1.00 0.00 C ATOM 1002 CE LYS A 65 3.769 -6.813 -10.782 1.00 0.00 C ATOM 1003 NZ LYS A 65 4.607 -7.832 -11.471 1.00 0.00 N ATOM 0 H LYS A 65 2.415 -7.194 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 65 3.312 -9.201 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.068 -6.580 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.467 -7.625 -6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.430 -6.494 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.314 -8.232 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.913 -8.100 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.886 -6.400 -8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.823 -6.704 -11.313 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.270 -5.846 -10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.670 -7.603 -12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.561 -7.834 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.177 -8.772 -11.355 1.00 0.00 H new ATOM 1017 N GLY A 66 4.057 -9.552 -4.483 1.00 0.00 N ATOM 1018 CA GLY A 66 4.713 -10.403 -3.518 1.00 0.00 C ATOM 1019 C GLY A 66 5.927 -9.740 -2.918 1.00 0.00 C ATOM 1020 O GLY A 66 6.990 -10.354 -2.809 1.00 0.00 O ATOM 0 H GLY A 66 3.380 -8.899 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.011 -10.661 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.009 -11.336 -3.998 1.00 0.00 H new ATOM 1024 N ALA A 67 5.777 -8.478 -2.554 1.00 0.00 N ATOM 1025 CA ALA A 67 6.847 -7.737 -1.908 1.00 0.00 C ATOM 1026 C ALA A 67 6.698 -7.806 -0.396 1.00 0.00 C ATOM 1027 O ALA A 67 5.585 -7.804 0.124 1.00 0.00 O ATOM 1028 CB ALA A 67 6.857 -6.292 -2.378 1.00 0.00 C ATOM 0 H ALA A 67 4.920 -7.943 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 67 7.798 -8.192 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.665 -5.754 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.008 -6.261 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.905 -5.823 -2.132 1.00 0.00 H new ATOM 1034 N ASP A 68 7.825 -7.872 0.292 1.00 0.00 N ATOM 1035 CA ASP A 68 7.842 -7.944 1.751 1.00 0.00 C ATOM 1036 C ASP A 68 7.912 -6.532 2.320 1.00 0.00 C ATOM 1037 O ASP A 68 7.209 -6.189 3.268 1.00 0.00 O ATOM 1038 CB ASP A 68 9.049 -8.777 2.211 1.00 0.00 C ATOM 1039 CG ASP A 68 9.030 -9.129 3.693 1.00 0.00 C ATOM 1040 OD1 ASP A 68 9.328 -8.251 4.530 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.766 -10.304 4.018 1.00 0.00 O ATOM 0 H ASP A 68 8.750 -7.877 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 68 6.933 -8.425 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.084 -9.698 1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.963 -8.226 1.991 1.00 0.00 H new ATOM 1046 N VAL A 69 8.748 -5.708 1.695 1.00 0.00 N ATOM 1047 CA VAL A 69 8.910 -4.313 2.093 1.00 0.00 C ATOM 1048 C VAL A 69 8.676 -3.403 0.894 1.00 0.00 C ATOM 1049 O VAL A 69 9.111 -3.715 -0.219 1.00 0.00 O ATOM 1050 CB VAL A 69 10.323 -4.042 2.661 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.512 -2.569 2.989 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.571 -4.889 3.893 1.00 0.00 C ATOM 0 H VAL A 69 9.329 -5.986 0.904 1.00 0.00 H new ATOM 0 HA VAL A 69 8.178 -4.107 2.874 1.00 0.00 H new ATOM 0 HB VAL A 69 11.048 -4.314 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.515 -2.410 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.382 -1.975 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.775 -2.264 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.570 -4.686 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.831 -4.647 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.491 -5.944 3.631 1.00 0.00 H new ATOM 1062 N VAL A 70 7.991 -2.287 1.115 1.00 0.00 N ATOM 1063 CA VAL A 70 7.748 -1.330 0.045 1.00 0.00 C ATOM 1064 C VAL A 70 8.223 0.061 0.455 1.00 0.00 C ATOM 1065 O VAL A 70 8.107 0.450 1.617 1.00 0.00 O ATOM 1066 CB VAL A 70 6.253 -1.275 -0.349 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.812 -2.597 -0.953 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.381 -0.931 0.849 1.00 0.00 C ATOM 0 H VAL A 70 7.597 -2.025 2.019 1.00 0.00 H new ATOM 0 HA VAL A 70 8.314 -1.666 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 70 6.134 -0.489 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.758 -2.540 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.405 -2.806 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.957 -3.396 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.336 -0.900 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.509 -1.689 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.672 0.042 1.244 1.00 0.00 H new ATOM 1078 N VAL A 71 8.769 0.804 -0.501 1.00 0.00 N ATOM 1079 CA VAL A 71 9.232 2.161 -0.250 1.00 0.00 C ATOM 1080 C VAL A 71 8.689 3.107 -1.311 1.00 0.00 C ATOM 1081 O VAL A 71 8.904 2.910 -2.506 1.00 0.00 O ATOM 1082 CB VAL A 71 10.779 2.246 -0.226 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.246 3.685 -0.033 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.345 1.357 0.871 1.00 0.00 C ATOM 0 H VAL A 71 8.902 0.486 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 71 8.860 2.455 0.732 1.00 0.00 H new ATOM 0 HB VAL A 71 11.149 1.894 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.336 3.715 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.876 4.301 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.861 4.069 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.433 1.429 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.958 1.680 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.050 0.323 0.690 1.00 0.00 H new ATOM 1094 N LEU A 72 7.977 4.128 -0.872 1.00 0.00 N ATOM 1095 CA LEU A 72 7.377 5.081 -1.788 1.00 0.00 C ATOM 1096 C LEU A 72 8.384 6.148 -2.198 1.00 0.00 C ATOM 1097 O LEU A 72 8.518 7.176 -1.537 1.00 0.00 O ATOM 1098 CB LEU A 72 6.144 5.730 -1.152 1.00 0.00 C ATOM 1099 CG LEU A 72 5.009 4.768 -0.804 1.00 0.00 C ATOM 1100 CD1 LEU A 72 3.876 5.507 -0.108 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.499 4.063 -2.053 1.00 0.00 C ATOM 0 H LEU A 72 7.800 4.319 0.114 1.00 0.00 H new ATOM 0 HA LEU A 72 7.067 4.542 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.453 6.246 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.760 6.488 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 72 5.399 4.014 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.077 4.805 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.248 5.961 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.490 6.285 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.691 3.383 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.128 4.803 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.312 3.498 -2.509 1.00 0.00 H new ATOM 1113 N THR A 73 9.113 5.883 -3.274 1.00 0.00 N ATOM 1114 CA THR A 73 10.028 6.865 -3.834 1.00 0.00 C ATOM 1115 C THR A 73 9.239 7.984 -4.502 1.00 0.00 C ATOM 1116 O THR A 73 9.503 9.168 -4.280 1.00 0.00 O ATOM 1117 CB THR A 73 10.982 6.208 -4.849 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.245 5.329 -5.714 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.073 5.425 -4.135 1.00 0.00 C ATOM 0 H THR A 73 9.087 4.995 -3.776 1.00 0.00 H new ATOM 0 HA THR A 73 10.627 7.282 -3.025 1.00 0.00 H new ATOM 0 HB THR A 73 11.449 6.995 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 73 10.857 4.915 -6.358 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.735 4.969 -4.871 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.647 6.098 -3.498 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.620 4.645 -3.523 1.00 0.00 H new ATOM 1127 N SER A 74 8.265 7.578 -5.314 1.00 0.00 N ATOM 1128 CA SER A 74 7.270 8.477 -5.885 1.00 0.00 C ATOM 1129 C SER A 74 7.899 9.639 -6.652 1.00 0.00 C ATOM 1130 O SER A 74 9.041 9.562 -7.110 1.00 0.00 O ATOM 1131 CB SER A 74 6.360 8.992 -4.765 1.00 0.00 C ATOM 1132 OG SER A 74 5.768 7.910 -4.059 1.00 0.00 O ATOM 0 H SER A 74 8.145 6.605 -5.596 1.00 0.00 H new ATOM 0 HA SER A 74 6.684 7.915 -6.612 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.937 9.609 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.581 9.627 -5.186 1.00 0.00 H new ATOM 0 HG SER A 74 5.908 7.078 -4.558 1.00 0.00 H new ATOM 1138 N GLY A 75 7.121 10.693 -6.825 1.00 0.00 N ATOM 1139 CA GLY A 75 7.603 11.878 -7.468 1.00 0.00 C ATOM 1140 C GLY A 75 7.349 13.085 -6.599 1.00 0.00 C ATOM 1141 O GLY A 75 6.210 13.374 -6.247 1.00 0.00 O ATOM 0 H GLY A 75 6.148 10.741 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.670 11.783 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.109 12.004 -8.431 1.00 0.00 H new ATOM 1145 N GLN A 76 8.420 13.755 -6.221 1.00 0.00 N ATOM 1146 CA GLN A 76 8.340 14.951 -5.385 1.00 0.00 C ATOM 1147 C GLN A 76 7.502 16.035 -6.066 1.00 0.00 C ATOM 1148 O GLN A 76 6.942 16.914 -5.412 1.00 0.00 O ATOM 1149 CB GLN A 76 9.748 15.477 -5.100 1.00 0.00 C ATOM 1150 CG GLN A 76 9.815 16.522 -3.994 1.00 0.00 C ATOM 1151 CD GLN A 76 9.667 15.937 -2.596 1.00 0.00 C ATOM 1152 OE1 GLN A 76 10.249 16.452 -1.642 1.00 0.00 O ATOM 1153 NE2 GLN A 76 8.887 14.874 -2.451 1.00 0.00 N ATOM 0 H GLN A 76 9.371 13.492 -6.480 1.00 0.00 H new ATOM 0 HA GLN A 76 7.856 14.686 -4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.389 14.638 -4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.155 15.907 -6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.767 17.049 -4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.030 17.261 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.418 14.471 -3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.756 14.460 -1.528 1.00 0.00 H new ATOM 1162 N THR A 77 7.420 15.950 -7.384 1.00 0.00 N ATOM 1163 CA THR A 77 6.633 16.867 -8.180 1.00 0.00 C ATOM 1164 C THR A 77 5.179 16.403 -8.240 1.00 0.00 C ATOM 1165 O THR A 77 4.701 15.941 -9.275 1.00 0.00 O ATOM 1166 CB THR A 77 7.216 16.980 -9.600 1.00 0.00 C ATOM 1167 OG1 THR A 77 7.570 15.676 -10.086 1.00 0.00 O ATOM 1168 CG2 THR A 77 8.446 17.872 -9.611 1.00 0.00 C ATOM 0 H THR A 77 7.902 15.237 -7.931 1.00 0.00 H new ATOM 0 HA THR A 77 6.666 17.851 -7.711 1.00 0.00 H new ATOM 0 HB THR A 77 6.457 17.422 -10.246 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.787 15.088 -10.046 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.840 17.936 -10.625 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.176 18.869 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.206 17.452 -8.953 1.00 0.00 H new ATOM 1176 N GLU A 78 4.509 16.510 -7.099 1.00 0.00 N ATOM 1177 CA GLU A 78 3.126 16.050 -6.924 1.00 0.00 C ATOM 1178 C GLU A 78 2.214 16.469 -8.083 1.00 0.00 C ATOM 1179 O GLU A 78 1.389 15.683 -8.553 1.00 0.00 O ATOM 1180 CB GLU A 78 2.566 16.601 -5.610 1.00 0.00 C ATOM 1181 CG GLU A 78 1.200 16.042 -5.240 1.00 0.00 C ATOM 1182 CD GLU A 78 0.590 16.739 -4.044 1.00 0.00 C ATOM 1183 OE1 GLU A 78 0.992 16.434 -2.900 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -0.296 17.598 -4.241 1.00 0.00 O ATOM 0 H GLU A 78 4.910 16.922 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 78 3.147 14.960 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.268 16.380 -4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.496 17.686 -5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.529 16.139 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.293 14.977 -5.027 1.00 0.00 H new ATOM 1191 N ASN A 79 2.382 17.699 -8.543 1.00 0.00 N ATOM 1192 CA ASN A 79 1.542 18.265 -9.591 1.00 0.00 C ATOM 1193 C ASN A 79 1.655 17.498 -10.908 1.00 0.00 C ATOM 1194 O ASN A 79 0.728 17.495 -11.716 1.00 0.00 O ATOM 1195 CB ASN A 79 1.930 19.724 -9.802 1.00 0.00 C ATOM 1196 CG ASN A 79 0.990 20.450 -10.737 1.00 0.00 C ATOM 1197 OD1 ASN A 79 1.285 20.634 -11.918 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -0.161 20.845 -10.220 1.00 0.00 N ATOM 0 H ASN A 79 3.104 18.334 -8.202 1.00 0.00 H new ATOM 0 HA ASN A 79 0.504 18.188 -9.268 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.944 20.235 -8.839 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.943 19.772 -10.203 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.846 21.323 -10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.364 20.672 -9.236 1.00 0.00 H new ATOM 1205 N LYS A 80 2.787 16.845 -11.114 1.00 0.00 N ATOM 1206 CA LYS A 80 3.037 16.127 -12.360 1.00 0.00 C ATOM 1207 C LYS A 80 3.695 14.774 -12.090 1.00 0.00 C ATOM 1208 O LYS A 80 4.592 14.349 -12.820 1.00 0.00 O ATOM 1209 CB LYS A 80 3.918 16.979 -13.285 1.00 0.00 C ATOM 1210 CG LYS A 80 5.246 17.389 -12.665 1.00 0.00 C ATOM 1211 CD LYS A 80 6.042 18.298 -13.591 1.00 0.00 C ATOM 1212 CE LYS A 80 7.367 18.699 -12.967 1.00 0.00 C ATOM 1213 NZ LYS A 80 8.136 19.630 -13.835 1.00 0.00 N ATOM 0 H LYS A 80 3.549 16.795 -10.437 1.00 0.00 H new ATOM 0 HA LYS A 80 2.082 15.942 -12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.113 16.421 -14.201 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.368 17.876 -13.569 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.064 17.901 -11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.832 16.498 -12.437 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.223 17.788 -14.537 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.459 19.191 -13.817 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.184 19.172 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.963 17.806 -12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.033 19.877 -13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.334 19.171 -14.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.580 20.494 -13.996 1.00 0.00 H new ATOM 1227 N ILE A 81 3.227 14.096 -11.051 1.00 0.00 N ATOM 1228 CA ILE A 81 3.790 12.812 -10.649 1.00 0.00 C ATOM 1229 C ILE A 81 3.675 11.750 -11.737 1.00 0.00 C ATOM 1230 O ILE A 81 2.599 11.501 -12.281 1.00 0.00 O ATOM 1231 CB ILE A 81 3.125 12.262 -9.373 1.00 0.00 C ATOM 1232 CG1 ILE A 81 1.601 12.372 -9.470 1.00 0.00 C ATOM 1233 CG2 ILE A 81 3.646 12.981 -8.142 1.00 0.00 C ATOM 1234 CD1 ILE A 81 0.866 11.730 -8.313 1.00 0.00 C ATOM 0 H ILE A 81 2.454 14.415 -10.467 1.00 0.00 H new ATOM 0 HA ILE A 81 4.844 13.016 -10.459 1.00 0.00 H new ATOM 0 HB ILE A 81 3.383 11.207 -9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.325 13.425 -9.524 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.271 11.908 -10.400 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.163 12.577 -7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.724 12.838 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.426 14.046 -8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.208 11.849 -8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.111 10.669 -8.270 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.165 12.209 -7.381 1.00 0.00 H new ATOM 1246 N HIS A 82 4.805 11.134 -12.056 1.00 0.00 N ATOM 1247 CA HIS A 82 4.809 9.934 -12.870 1.00 0.00 C ATOM 1248 C HIS A 82 4.623 8.721 -11.974 1.00 0.00 C ATOM 1249 O HIS A 82 4.411 7.609 -12.444 1.00 0.00 O ATOM 1250 CB HIS A 82 6.111 9.818 -13.678 1.00 0.00 C ATOM 1251 CG HIS A 82 7.367 9.861 -12.858 1.00 0.00 C ATOM 1252 ND1 HIS A 82 8.065 11.026 -12.622 1.00 0.00 N ATOM 1253 CD2 HIS A 82 8.056 8.879 -12.222 1.00 0.00 C ATOM 1254 CE1 HIS A 82 9.125 10.762 -11.882 1.00 0.00 C ATOM 1255 NE2 HIS A 82 9.141 9.469 -11.625 1.00 0.00 N ATOM 0 H HIS A 82 5.730 11.448 -11.762 1.00 0.00 H new ATOM 0 HA HIS A 82 3.986 9.987 -13.583 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.092 8.884 -14.239 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.142 10.627 -14.408 1.00 0.00 H new ATOM 0 HD2 HIS A 82 7.798 7.831 -12.192 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.855 11.482 -11.544 1.00 0.00 H new ATOM 0 HE2 HIS A 82 9.847 8.985 -11.071 1.00 0.00 H new ATOM 1264 N GLY A 83 4.692 8.974 -10.671 1.00 0.00 N ATOM 1265 CA GLY A 83 4.538 7.936 -9.669 1.00 0.00 C ATOM 1266 C GLY A 83 5.655 6.921 -9.689 1.00 0.00 C ATOM 1267 O GLY A 83 6.079 6.463 -10.744 1.00 0.00 O ATOM 0 H GLY A 83 4.856 9.904 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.492 8.396 -8.682 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.588 7.425 -9.827 1.00 0.00 H new ATOM 1271 N THR A 84 6.147 6.578 -8.522 1.00 0.00 N ATOM 1272 CA THR A 84 7.194 5.580 -8.410 1.00 0.00 C ATOM 1273 C THR A 84 7.155 4.908 -7.041 1.00 0.00 C ATOM 1274 O THR A 84 6.700 5.508 -6.064 1.00 0.00 O ATOM 1275 CB THR A 84 8.590 6.208 -8.617 1.00 0.00 C ATOM 1276 OG1 THR A 84 8.471 7.577 -9.043 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.377 5.427 -9.650 1.00 0.00 C ATOM 0 H THR A 84 5.841 6.974 -7.633 1.00 0.00 H new ATOM 0 HA THR A 84 7.016 4.838 -9.189 1.00 0.00 H new ATOM 0 HB THR A 84 9.118 6.175 -7.664 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.840 8.167 -8.353 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.358 5.884 -9.782 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.499 4.398 -9.313 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.841 5.436 -10.599 1.00 0.00 H new ATOM 1285 N ALA A 85 7.601 3.664 -6.980 1.00 0.00 N ATOM 1286 CA ALA A 85 7.793 2.981 -5.707 1.00 0.00 C ATOM 1287 C ALA A 85 8.817 1.866 -5.863 1.00 0.00 C ATOM 1288 O ALA A 85 8.851 1.187 -6.892 1.00 0.00 O ATOM 1289 CB ALA A 85 6.474 2.438 -5.168 1.00 0.00 C ATOM 0 H ALA A 85 7.838 3.104 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 85 8.170 3.703 -4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.649 1.934 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.775 3.261 -5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.053 1.730 -5.882 1.00 0.00 H new ATOM 1295 N ASP A 86 9.655 1.685 -4.851 1.00 0.00 N ATOM 1296 CA ASP A 86 10.718 0.694 -4.908 1.00 0.00 C ATOM 1297 C ASP A 86 10.460 -0.388 -3.885 1.00 0.00 C ATOM 1298 O ASP A 86 10.347 -0.117 -2.687 1.00 0.00 O ATOM 1299 CB ASP A 86 12.066 1.348 -4.650 1.00 0.00 C ATOM 1300 CG ASP A 86 13.181 0.700 -5.436 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.551 -0.448 -5.130 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.672 1.329 -6.398 1.00 0.00 O ATOM 0 H ASP A 86 9.618 2.213 -3.979 1.00 0.00 H new ATOM 0 HA ASP A 86 10.735 0.250 -5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.009 2.405 -4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.296 1.293 -3.586 1.00 0.00 H new ATOM 1307 N ILE A 87 10.327 -1.602 -4.367 1.00 0.00 N ATOM 1308 CA ILE A 87 9.919 -2.710 -3.519 1.00 0.00 C ATOM 1309 C ILE A 87 10.978 -3.808 -3.429 1.00 0.00 C ATOM 1310 O ILE A 87 11.774 -4.008 -4.351 1.00 0.00 O ATOM 1311 CB ILE A 87 8.588 -3.310 -4.010 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.724 -3.850 -5.437 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.496 -2.256 -3.952 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.437 -4.420 -5.998 1.00 0.00 C ATOM 0 H ILE A 87 10.494 -1.853 -5.341 1.00 0.00 H new ATOM 0 HA ILE A 87 9.789 -2.299 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 87 8.322 -4.141 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.070 -3.047 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.491 -4.625 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.557 -2.686 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.378 -1.910 -2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.768 -1.414 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.611 -4.783 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.100 -5.245 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.673 -3.643 -6.017 1.00 0.00 H new ATOM 1326 N TYR A 88 10.955 -4.535 -2.320 1.00 0.00 N ATOM 1327 CA TYR A 88 11.894 -5.622 -2.073 1.00 0.00 C ATOM 1328 C TYR A 88 11.160 -6.835 -1.520 1.00 0.00 C ATOM 1329 O TYR A 88 10.144 -6.694 -0.837 1.00 0.00 O ATOM 1330 CB TYR A 88 12.965 -5.196 -1.061 1.00 0.00 C ATOM 1331 CG TYR A 88 14.061 -4.303 -1.611 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.796 -3.009 -2.042 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.371 -4.761 -1.690 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.802 -2.201 -2.537 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.381 -3.957 -2.181 1.00 0.00 C ATOM 1336 CZ TYR A 88 16.091 -2.679 -2.604 1.00 0.00 C ATOM 1337 OH TYR A 88 17.095 -1.875 -3.095 1.00 0.00 O ATOM 0 H TYR A 88 10.285 -4.388 -1.566 1.00 0.00 H new ATOM 0 HA TYR A 88 12.370 -5.873 -3.021 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.476 -4.677 -0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.425 -6.092 -0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.787 -2.628 -1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.603 -5.763 -1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.578 -1.198 -2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.394 -4.329 -2.233 1.00 0.00 H new ATOM 0 HH TYR A 88 17.945 -2.363 -3.073 1.00 0.00 H new ATOM 1347 N LYS A 89 11.674 -8.020 -1.808 1.00 0.00 N ATOM 1348 CA LYS A 89 11.152 -9.238 -1.220 1.00 0.00 C ATOM 1349 C LYS A 89 12.181 -9.813 -0.261 1.00 0.00 C ATOM 1350 O LYS A 89 13.382 -9.664 -0.477 1.00 0.00 O ATOM 1351 CB LYS A 89 10.777 -10.256 -2.288 1.00 0.00 C ATOM 1352 CG LYS A 89 11.945 -10.915 -2.993 1.00 0.00 C ATOM 1353 CD LYS A 89 11.418 -11.915 -3.994 1.00 0.00 C ATOM 1354 CE LYS A 89 12.526 -12.549 -4.827 1.00 0.00 C ATOM 1355 NZ LYS A 89 13.242 -13.629 -4.100 1.00 0.00 N ATOM 0 H LYS A 89 12.455 -8.162 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 89 10.241 -9.000 -0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.167 -11.033 -1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.155 -9.762 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.553 -10.163 -3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.589 -11.412 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.871 -12.697 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.708 -11.421 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.099 -12.955 -5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.240 -11.779 -5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.984 -14.026 -4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.674 -13.240 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.569 -14.379 -3.841 1.00 0.00 H new ATOM 1369 N LYS A 90 11.714 -10.439 0.806 1.00 0.00 N ATOM 1370 CA LYS A 90 12.610 -10.992 1.808 1.00 0.00 C ATOM 1371 C LYS A 90 13.408 -12.159 1.238 1.00 0.00 C ATOM 1372 O LYS A 90 12.850 -13.051 0.598 1.00 0.00 O ATOM 1373 CB LYS A 90 11.813 -11.448 3.026 1.00 0.00 C ATOM 1374 CG LYS A 90 12.670 -12.047 4.129 1.00 0.00 C ATOM 1375 CD LYS A 90 11.813 -12.653 5.223 1.00 0.00 C ATOM 1376 CE LYS A 90 10.912 -13.748 4.680 1.00 0.00 C ATOM 1377 NZ LYS A 90 11.689 -14.822 4.000 1.00 0.00 N ATOM 0 H LYS A 90 10.722 -10.577 1.001 1.00 0.00 H new ATOM 0 HA LYS A 90 13.311 -10.213 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.262 -10.597 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.075 -12.186 2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.324 -12.812 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.313 -11.276 4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.454 -13.061 6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.205 -11.875 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.334 -14.180 5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.199 -13.316 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.067 -15.633 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.070 -14.460 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.473 -15.124 4.612 1.00 0.00 H new ATOM 1391 N LYS A 91 14.707 -12.151 1.496 1.00 0.00 N ATOM 1392 CA LYS A 91 15.593 -13.211 1.028 1.00 0.00 C ATOM 1393 C LYS A 91 15.473 -14.459 1.884 1.00 0.00 C ATOM 1394 O LYS A 91 14.643 -14.547 2.794 1.00 0.00 O ATOM 1395 CB LYS A 91 17.051 -12.774 1.097 1.00 0.00 C ATOM 1396 CG LYS A 91 17.512 -11.817 0.021 1.00 0.00 C ATOM 1397 CD LYS A 91 18.949 -11.424 0.297 1.00 0.00 C ATOM 1398 CE LYS A 91 19.580 -10.650 -0.838 1.00 0.00 C ATOM 1399 NZ LYS A 91 21.015 -10.396 -0.557 1.00 0.00 N ATOM 0 H LYS A 91 15.175 -11.419 2.030 1.00 0.00 H new ATOM 0 HA LYS A 91 15.294 -13.422 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.224 -12.308 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.678 -13.665 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.431 -12.285 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.876 -10.932 0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.987 -10.822 1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.536 -12.323 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.479 -11.209 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.057 -9.704 -0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.474 -10.017 -1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.100 -9.707 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.478 -11.286 -0.281 1.00 0.00 H new ATOM 1413 N LEU A 92 16.339 -15.415 1.578 1.00 0.00 N ATOM 1414 CA LEU A 92 16.571 -16.558 2.434 1.00 0.00 C ATOM 1415 C LEU A 92 17.617 -16.195 3.484 1.00 0.00 C ATOM 1416 O LEU A 92 17.859 -16.937 4.436 1.00 0.00 O ATOM 1417 CB LEU A 92 17.014 -17.765 1.590 1.00 0.00 C ATOM 1418 CG LEU A 92 18.134 -17.511 0.566 1.00 0.00 C ATOM 1419 CD1 LEU A 92 19.504 -17.498 1.232 1.00 0.00 C ATOM 1420 CD2 LEU A 92 18.089 -18.563 -0.533 1.00 0.00 C ATOM 0 H LEU A 92 16.899 -15.415 0.726 1.00 0.00 H new ATOM 0 HA LEU A 92 15.649 -16.834 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 92 17.343 -18.553 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.143 -18.146 1.056 1.00 0.00 H new ATOM 0 HG LEU A 92 17.970 -16.528 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 92 20.272 -17.316 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 92 19.536 -16.708 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 92 19.685 -18.460 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 92 18.886 -18.373 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 92 18.223 -19.552 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 92 17.125 -18.518 -1.040 1.00 0.00 H new ATOM 1432 N GLU A 93 18.221 -15.021 3.300 1.00 0.00 N ATOM 1433 CA GLU A 93 19.250 -14.523 4.206 1.00 0.00 C ATOM 1434 C GLU A 93 18.624 -13.799 5.392 1.00 0.00 C ATOM 1435 O GLU A 93 19.318 -13.270 6.253 1.00 0.00 O ATOM 1436 CB GLU A 93 20.210 -13.584 3.464 1.00 0.00 C ATOM 1437 CG GLU A 93 20.932 -14.242 2.299 1.00 0.00 C ATOM 1438 CD GLU A 93 21.858 -13.288 1.562 1.00 0.00 C ATOM 1439 OE1 GLU A 93 22.909 -12.926 2.120 1.00 0.00 O ATOM 1440 OE2 GLU A 93 21.540 -12.907 0.415 1.00 0.00 O ATOM 0 H GLU A 93 18.011 -14.394 2.523 1.00 0.00 H new ATOM 0 HA GLU A 93 19.813 -15.378 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 93 19.650 -12.725 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 93 20.949 -13.203 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 93 21.510 -15.089 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 93 20.196 -14.639 1.600 1.00 0.00 H new