USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 34 MET CE :methyl 147:sc= -2.56 (180deg=-1.75) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.126 X(o=-1.8,f=-1.9) USER MOD Set 1.3: A 37 TYR OH : rot -169:sc= 1.09 USER MOD Set 1.4: A 70 HIS : no HD1:sc= -0.209 K(o=-1.8,f=-10!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.129 USER MOD Set 2.2: A 57 SER OG : rot 81:sc= 0.139 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 170:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.73) USER MOD Single : A 53 THR OG1 : rot -69:sc= 0.369 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 55 MET CE :methyl -172:sc= -6.61! (180deg=-6.98!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.425 K(o=-0.42,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.14) USER MOD Single : A 77 SER OG : rot -79:sc= 0.608 USER MOD Single : A 79 HIS : no HD1:sc= -0.29 X(o=-0.29,f=0.0036) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 179:sc= -0.49 (180deg=-0.491) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 29.071 -24.905 27.202 1.00 0.00 N ATOM 331 CA VAL A 25 27.856 -24.146 26.928 1.00 0.00 C ATOM 332 C VAL A 25 28.170 -22.865 26.164 1.00 0.00 C ATOM 333 O VAL A 25 27.537 -22.562 25.153 1.00 0.00 O ATOM 334 CB VAL A 25 27.113 -23.788 28.228 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.866 -22.972 27.923 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.759 -25.047 29.004 1.00 0.00 C ATOM 0 HA VAL A 25 27.216 -24.782 26.317 1.00 0.00 H new ATOM 0 HB VAL A 25 27.773 -23.181 28.847 1.00 0.00 H new ATOM 0 HG11 VAL A 25 25.354 -22.728 28.854 1.00 0.00 H new ATOM 0 HG12 VAL A 25 26.149 -22.051 27.413 1.00 0.00 H new ATOM 0 HG13 VAL A 25 25.200 -23.551 27.283 1.00 0.00 H new ATOM 0 HG21 VAL A 25 26.234 -24.775 29.920 1.00 0.00 H new ATOM 0 HG22 VAL A 25 26.117 -25.682 28.394 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.671 -25.588 29.256 1.00 0.00 H new ATOM 346 N ASP A 26 29.151 -22.115 26.655 1.00 0.00 N ATOM 347 CA ASP A 26 29.551 -20.866 26.018 1.00 0.00 C ATOM 348 C ASP A 26 29.834 -21.079 24.534 1.00 0.00 C ATOM 349 O ASP A 26 29.508 -20.232 23.702 1.00 0.00 O ATOM 350 CB ASP A 26 30.788 -20.289 26.708 1.00 0.00 C ATOM 351 CG ASP A 26 30.682 -20.336 28.220 1.00 0.00 C ATOM 352 OD1 ASP A 26 31.003 -21.392 28.805 1.00 0.00 O ATOM 353 OD2 ASP A 26 30.278 -19.317 28.818 1.00 0.00 O ATOM 0 H ASP A 26 29.684 -22.351 27.492 1.00 0.00 H new ATOM 0 HA ASP A 26 28.728 -20.158 26.115 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.670 -20.845 26.391 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.930 -19.257 26.388 1.00 0.00 H new ATOM 358 N ASP A 27 30.444 -22.214 24.210 1.00 0.00 N ATOM 359 CA ASP A 27 30.771 -22.538 22.827 1.00 0.00 C ATOM 360 C ASP A 27 29.528 -22.984 22.064 1.00 0.00 C ATOM 361 O ASP A 27 29.236 -22.477 20.982 1.00 0.00 O ATOM 362 CB ASP A 27 31.837 -23.634 22.776 1.00 0.00 C ATOM 363 CG ASP A 27 33.244 -23.072 22.721 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.495 -22.039 23.375 1.00 0.00 O ATOM 365 OD2 ASP A 27 34.093 -23.665 22.022 1.00 0.00 O ATOM 0 H ASP A 27 30.722 -22.925 24.887 1.00 0.00 H new ATOM 0 HA ASP A 27 31.163 -21.638 22.352 1.00 0.00 H new ATOM 0 HB2 ASP A 27 31.739 -24.273 23.653 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.666 -24.263 21.902 1.00 0.00 H new ATOM 370 N TRP A 28 28.800 -23.937 22.636 1.00 0.00 N ATOM 371 CA TRP A 28 27.588 -24.452 22.010 1.00 0.00 C ATOM 372 C TRP A 28 26.635 -23.317 21.652 1.00 0.00 C ATOM 373 O TRP A 28 26.234 -23.171 20.496 1.00 0.00 O ATOM 374 CB TRP A 28 26.890 -25.445 22.941 1.00 0.00 C ATOM 375 CG TRP A 28 25.472 -25.731 22.550 1.00 0.00 C ATOM 376 CD1 TRP A 28 25.023 -26.117 21.319 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.318 -25.651 23.393 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.659 -26.281 21.347 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.203 -26.002 22.608 1.00 0.00 C ATOM 380 CE3 TRP A 28 24.118 -25.318 24.736 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.909 -26.029 23.122 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.834 -25.345 25.244 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.743 -25.699 24.440 1.00 0.00 C ATOM 0 H TRP A 28 29.028 -24.368 23.532 1.00 0.00 H new ATOM 0 HA TRP A 28 27.874 -24.965 21.092 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.452 -26.379 22.951 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.907 -25.052 23.958 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.648 -26.271 20.452 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.080 -26.565 20.557 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.952 -25.045 25.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.067 -26.301 22.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.668 -25.089 26.280 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.752 -25.712 24.868 1.00 0.00 H new ATOM 394 N LEU A 29 26.276 -22.515 22.648 1.00 0.00 N ATOM 395 CA LEU A 29 25.370 -21.392 22.438 1.00 0.00 C ATOM 396 C LEU A 29 25.898 -20.462 21.350 1.00 0.00 C ATOM 397 O LEU A 29 25.129 -19.909 20.564 1.00 0.00 O ATOM 398 CB LEU A 29 25.178 -20.614 23.741 1.00 0.00 C ATOM 399 CG LEU A 29 24.460 -21.358 24.867 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.248 -20.441 26.062 1.00 0.00 C ATOM 401 CD2 LEU A 29 23.131 -21.914 24.376 1.00 0.00 C ATOM 0 H LEU A 29 26.599 -22.622 23.610 1.00 0.00 H new ATOM 0 HA LEU A 29 24.408 -21.790 22.115 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.158 -20.305 24.104 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.619 -19.705 23.519 1.00 0.00 H new ATOM 0 HG LEU A 29 25.086 -22.193 25.182 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.736 -20.988 26.854 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.213 -20.092 26.428 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.643 -19.586 25.761 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.634 -22.440 25.191 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.498 -21.095 24.033 1.00 0.00 H new ATOM 0 HD23 LEU A 29 23.308 -22.605 23.552 1.00 0.00 H new ATOM 413 N SER A 30 27.217 -20.296 21.310 1.00 0.00 N ATOM 414 CA SER A 30 27.849 -19.433 20.319 1.00 0.00 C ATOM 415 C SER A 30 27.750 -20.043 18.924 1.00 0.00 C ATOM 416 O SER A 30 27.914 -19.352 17.919 1.00 0.00 O ATOM 417 CB SER A 30 29.316 -19.194 20.682 1.00 0.00 C ATOM 418 OG SER A 30 29.829 -18.059 20.006 1.00 0.00 O ATOM 0 H SER A 30 27.868 -20.748 21.952 1.00 0.00 H new ATOM 0 HA SER A 30 27.323 -18.478 20.316 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.409 -19.053 21.759 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.906 -20.073 20.423 1.00 0.00 H new ATOM 0 HG SER A 30 30.767 -17.926 20.255 1.00 0.00 H new ATOM 424 N ALA A 31 27.482 -21.344 18.872 1.00 0.00 N ATOM 425 CA ALA A 31 27.360 -22.048 17.602 1.00 0.00 C ATOM 426 C ALA A 31 25.924 -22.011 17.089 1.00 0.00 C ATOM 427 O ALA A 31 25.646 -22.430 15.965 1.00 0.00 O ATOM 428 CB ALA A 31 27.833 -23.487 17.749 1.00 0.00 C ATOM 0 H ALA A 31 27.345 -21.931 19.695 1.00 0.00 H new ATOM 0 HA ALA A 31 27.992 -21.542 16.872 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.736 -24.001 16.793 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.877 -23.497 18.062 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.225 -23.995 18.497 1.00 0.00 H new ATOM 434 N ILE A 32 25.017 -21.509 17.920 1.00 0.00 N ATOM 435 CA ILE A 32 23.611 -21.417 17.550 1.00 0.00 C ATOM 436 C ILE A 32 23.111 -19.980 17.639 1.00 0.00 C ATOM 437 O ILE A 32 21.909 -19.722 17.568 1.00 0.00 O ATOM 438 CB ILE A 32 22.733 -22.310 18.447 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.089 -22.098 19.920 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.898 -23.773 18.062 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.260 -22.934 20.869 1.00 0.00 C ATOM 0 H ILE A 32 25.231 -21.160 18.854 1.00 0.00 H new ATOM 0 HA ILE A 32 23.534 -21.763 16.519 1.00 0.00 H new ATOM 0 HB ILE A 32 21.689 -22.031 18.301 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.143 -22.333 20.068 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.959 -21.045 20.169 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.271 -24.391 18.705 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.600 -23.912 17.023 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.941 -24.065 18.182 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.567 -22.732 21.895 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.206 -22.683 20.750 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.408 -23.991 20.647 1.00 0.00 H new ATOM 453 N LYS A 33 24.042 -19.044 17.793 1.00 0.00 N ATOM 454 CA LYS A 33 23.698 -17.630 17.889 1.00 0.00 C ATOM 455 C LYS A 33 22.930 -17.343 19.175 1.00 0.00 C ATOM 456 O LYS A 33 22.351 -16.269 19.336 1.00 0.00 O ATOM 457 CB LYS A 33 22.864 -17.204 16.678 1.00 0.00 C ATOM 458 CG LYS A 33 23.391 -17.739 15.358 1.00 0.00 C ATOM 459 CD LYS A 33 23.496 -16.641 14.313 1.00 0.00 C ATOM 460 CE LYS A 33 22.222 -16.531 13.490 1.00 0.00 C ATOM 461 NZ LYS A 33 22.485 -16.711 12.035 1.00 0.00 N ATOM 0 H LYS A 33 25.041 -19.240 17.854 1.00 0.00 H new ATOM 0 HA LYS A 33 24.625 -17.056 17.905 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.838 -17.546 16.815 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.834 -16.115 16.633 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.371 -18.190 15.513 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.731 -18.527 14.994 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.697 -15.689 14.803 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.340 -16.844 13.654 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.507 -17.282 13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.764 -15.557 13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.592 -16.629 11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.148 -15.979 11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.899 -17.651 11.871 1.00 0.00 H new ATOM 475 N MET A 34 22.932 -18.308 20.088 1.00 0.00 N ATOM 476 CA MET A 34 22.237 -18.157 21.361 1.00 0.00 C ATOM 477 C MET A 34 23.228 -17.910 22.495 1.00 0.00 C ATOM 478 O MET A 34 22.927 -18.162 23.662 1.00 0.00 O ATOM 479 CB MET A 34 21.400 -19.401 21.662 1.00 0.00 C ATOM 480 CG MET A 34 20.461 -19.790 20.531 1.00 0.00 C ATOM 481 SD MET A 34 19.328 -18.461 20.082 1.00 0.00 S ATOM 482 CE MET A 34 18.241 -18.448 21.506 1.00 0.00 C ATOM 0 H MET A 34 23.407 -19.203 19.970 1.00 0.00 H new ATOM 0 HA MET A 34 21.576 -17.294 21.285 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.068 -20.236 21.872 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.815 -19.226 22.565 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.048 -20.073 19.657 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.886 -20.668 20.826 1.00 0.00 H new ATOM 0 HE1 MET A 34 17.904 -17.429 21.697 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.378 -19.085 21.311 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.778 -18.822 22.377 1.00 0.00 H new ATOM 492 N VAL A 35 24.411 -17.416 22.144 1.00 0.00 N ATOM 493 CA VAL A 35 25.446 -17.135 23.132 1.00 0.00 C ATOM 494 C VAL A 35 24.948 -16.149 24.183 1.00 0.00 C ATOM 495 O VAL A 35 25.479 -16.089 25.292 1.00 0.00 O ATOM 496 CB VAL A 35 26.714 -16.566 22.469 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.642 -15.048 22.394 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.956 -17.011 23.227 1.00 0.00 C ATOM 0 H VAL A 35 24.677 -17.202 21.183 1.00 0.00 H new ATOM 0 HA VAL A 35 25.691 -18.082 23.613 1.00 0.00 H new ATOM 0 HB VAL A 35 26.777 -16.954 21.452 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.547 -14.664 21.923 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.773 -14.754 21.806 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.555 -14.638 23.400 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.843 -16.600 22.745 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.903 -16.653 24.255 1.00 0.00 H new ATOM 0 HG23 VAL A 35 28.013 -18.099 23.225 1.00 0.00 H new ATOM 508 N GLN A 36 23.926 -15.378 23.826 1.00 0.00 N ATOM 509 CA GLN A 36 23.357 -14.394 24.739 1.00 0.00 C ATOM 510 C GLN A 36 22.929 -15.049 26.048 1.00 0.00 C ATOM 511 O GLN A 36 22.870 -14.397 27.091 1.00 0.00 O ATOM 512 CB GLN A 36 22.161 -13.696 24.090 1.00 0.00 C ATOM 513 CG GLN A 36 20.970 -14.613 23.864 1.00 0.00 C ATOM 514 CD GLN A 36 20.298 -14.379 22.526 1.00 0.00 C ATOM 515 OE1 GLN A 36 20.929 -14.485 21.474 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.010 -14.058 22.558 1.00 0.00 N ATOM 0 H GLN A 36 23.475 -15.416 22.912 1.00 0.00 H new ATOM 0 HA GLN A 36 24.126 -13.653 24.959 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.852 -12.862 24.720 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.472 -13.275 23.134 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.299 -15.650 23.924 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.243 -14.462 24.662 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.526 -13.981 23.452 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.505 -13.888 21.688 1.00 0.00 H new ATOM 525 N TYR A 37 22.631 -16.343 25.987 1.00 0.00 N ATOM 526 CA TYR A 37 22.206 -17.086 27.166 1.00 0.00 C ATOM 527 C TYR A 37 23.362 -17.894 27.748 1.00 0.00 C ATOM 528 O TYR A 37 23.154 -18.928 28.382 1.00 0.00 O ATOM 529 CB TYR A 37 21.044 -18.017 26.817 1.00 0.00 C ATOM 530 CG TYR A 37 19.815 -17.291 26.317 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.036 -16.529 27.180 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.433 -17.367 24.984 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.913 -15.864 26.728 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.311 -16.705 24.523 1.00 0.00 C ATOM 535 CZ TYR A 37 17.555 -15.955 25.399 1.00 0.00 C ATOM 536 OH TYR A 37 16.436 -15.294 24.945 1.00 0.00 O ATOM 0 H TYR A 37 22.676 -16.898 25.133 1.00 0.00 H new ATOM 0 HA TYR A 37 21.875 -16.368 27.916 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.372 -18.725 26.056 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.778 -18.599 27.699 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.313 -16.456 28.221 1.00 0.00 H new ATOM 0 HD2 TYR A 37 20.023 -17.954 24.296 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.318 -15.276 27.411 1.00 0.00 H new ATOM 0 HE2 TYR A 37 18.028 -16.775 23.483 1.00 0.00 H new ATOM 0 HH TYR A 37 16.223 -15.597 24.038 1.00 0.00 H new ATOM 546 N ARG A 38 24.581 -17.412 27.527 1.00 0.00 N ATOM 547 CA ARG A 38 25.772 -18.089 28.028 1.00 0.00 C ATOM 548 C ARG A 38 25.881 -17.946 29.543 1.00 0.00 C ATOM 549 O ARG A 38 26.486 -18.783 30.213 1.00 0.00 O ATOM 550 CB ARG A 38 27.026 -17.522 27.360 1.00 0.00 C ATOM 551 CG ARG A 38 27.305 -16.072 27.720 1.00 0.00 C ATOM 552 CD ARG A 38 28.730 -15.675 27.369 1.00 0.00 C ATOM 553 NE ARG A 38 28.825 -15.104 26.029 1.00 0.00 N ATOM 554 CZ ARG A 38 28.523 -13.842 25.744 1.00 0.00 C ATOM 555 NH1 ARG A 38 28.109 -13.024 26.702 1.00 0.00 N ATOM 556 NH2 ARG A 38 28.634 -13.396 24.500 1.00 0.00 N ATOM 0 H ARG A 38 24.770 -16.556 27.005 1.00 0.00 H new ATOM 0 HA ARG A 38 25.687 -19.148 27.785 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.885 -18.130 27.644 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.920 -17.605 26.278 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.605 -15.424 27.192 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.137 -15.922 28.786 1.00 0.00 H new ATOM 0 HD2 ARG A 38 29.095 -14.951 28.098 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.377 -16.550 27.437 1.00 0.00 H new ATOM 0 HE ARG A 38 29.141 -15.707 25.269 1.00 0.00 H new ATOM 0 HH11 ARG A 38 28.022 -13.363 27.660 1.00 0.00 H new ATOM 0 HH12 ARG A 38 27.878 -12.055 26.481 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.952 -14.022 23.760 1.00 0.00 H new ATOM 0 HH22 ARG A 38 28.402 -12.427 24.283 1.00 0.00 H new ATOM 570 N ASP A 39 25.293 -16.881 30.076 1.00 0.00 N ATOM 571 CA ASP A 39 25.324 -16.628 31.512 1.00 0.00 C ATOM 572 C ASP A 39 24.113 -17.251 32.199 1.00 0.00 C ATOM 573 O ASP A 39 24.164 -17.593 33.380 1.00 0.00 O ATOM 574 CB ASP A 39 25.364 -15.124 31.786 1.00 0.00 C ATOM 575 CG ASP A 39 26.776 -14.611 31.991 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.369 -14.911 33.048 1.00 0.00 O ATOM 577 OD2 ASP A 39 27.288 -13.910 31.094 1.00 0.00 O ATOM 0 H ASP A 39 24.789 -16.178 29.535 1.00 0.00 H new ATOM 0 HA ASP A 39 26.226 -17.087 31.918 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.905 -14.593 30.952 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.768 -14.903 32.671 1.00 0.00 H new ATOM 582 N SER A 40 23.023 -17.394 31.451 1.00 0.00 N ATOM 583 CA SER A 40 21.797 -17.970 31.990 1.00 0.00 C ATOM 584 C SER A 40 22.020 -19.416 32.422 1.00 0.00 C ATOM 585 O SER A 40 21.556 -19.839 33.481 1.00 0.00 O ATOM 586 CB SER A 40 20.677 -17.905 30.949 1.00 0.00 C ATOM 587 OG SER A 40 19.705 -16.937 31.305 1.00 0.00 O ATOM 0 H SER A 40 22.964 -17.119 30.471 1.00 0.00 H new ATOM 0 HA SER A 40 21.506 -17.388 32.864 1.00 0.00 H new ATOM 0 HB2 SER A 40 21.097 -17.661 29.973 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.204 -18.883 30.857 1.00 0.00 H new ATOM 0 HG SER A 40 19.001 -16.914 30.623 1.00 0.00 H new ATOM 593 N PHE A 41 22.735 -20.171 31.594 1.00 0.00 N ATOM 594 CA PHE A 41 23.021 -21.570 31.889 1.00 0.00 C ATOM 595 C PHE A 41 24.144 -21.692 32.914 1.00 0.00 C ATOM 596 O PHE A 41 24.080 -22.515 33.828 1.00 0.00 O ATOM 597 CB PHE A 41 23.401 -22.316 30.608 1.00 0.00 C ATOM 598 CG PHE A 41 22.241 -22.550 29.684 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.224 -23.423 30.034 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.167 -21.896 28.465 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.156 -23.641 29.184 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.101 -22.109 27.611 1.00 0.00 C ATOM 603 CZ PHE A 41 20.093 -22.982 27.972 1.00 0.00 C ATOM 0 H PHE A 41 23.127 -19.837 30.713 1.00 0.00 H new ATOM 0 HA PHE A 41 22.120 -22.018 32.309 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.167 -21.748 30.080 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.843 -23.276 30.874 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.266 -23.939 30.982 1.00 0.00 H new ATOM 0 HD2 PHE A 41 22.952 -21.211 28.178 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.371 -24.326 29.468 1.00 0.00 H new ATOM 0 HE2 PHE A 41 21.056 -21.594 26.663 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.258 -23.149 27.308 1.00 0.00 H new ATOM 613 N LEU A 42 25.173 -20.867 32.756 1.00 0.00 N ATOM 614 CA LEU A 42 26.313 -20.881 33.667 1.00 0.00 C ATOM 615 C LEU A 42 25.859 -20.677 35.109 1.00 0.00 C ATOM 616 O LEU A 42 26.083 -21.531 35.968 1.00 0.00 O ATOM 617 CB LEU A 42 27.316 -19.794 33.278 1.00 0.00 C ATOM 618 CG LEU A 42 28.255 -20.131 32.119 1.00 0.00 C ATOM 619 CD1 LEU A 42 29.015 -18.892 31.670 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.221 -21.236 32.520 1.00 0.00 C ATOM 0 H LEU A 42 25.242 -20.180 32.006 1.00 0.00 H new ATOM 0 HA LEU A 42 26.796 -21.855 33.591 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.762 -18.892 33.020 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.922 -19.557 34.153 1.00 0.00 H new ATOM 0 HG LEU A 42 27.655 -20.487 31.282 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.678 -19.151 30.845 1.00 0.00 H new ATOM 0 HD12 LEU A 42 28.308 -18.130 31.342 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.604 -18.506 32.501 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.882 -21.463 31.683 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.815 -20.908 33.373 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.659 -22.130 32.791 1.00 0.00 H new ATOM 632 N THR A 43 25.218 -19.542 35.368 1.00 0.00 N ATOM 633 CA THR A 43 24.732 -19.226 36.705 1.00 0.00 C ATOM 634 C THR A 43 23.691 -20.240 37.165 1.00 0.00 C ATOM 635 O THR A 43 23.568 -20.520 38.357 1.00 0.00 O ATOM 636 CB THR A 43 24.117 -17.815 36.761 1.00 0.00 C ATOM 637 OG1 THR A 43 23.849 -17.451 38.120 1.00 0.00 O ATOM 638 CG2 THR A 43 22.832 -17.753 35.950 1.00 0.00 C ATOM 0 H THR A 43 25.023 -18.826 34.669 1.00 0.00 H new ATOM 0 HA THR A 43 25.594 -19.265 37.372 1.00 0.00 H new ATOM 0 HB THR A 43 24.832 -17.113 36.332 1.00 0.00 H new ATOM 0 HG1 THR A 43 23.460 -16.552 38.147 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.416 -16.747 36.004 1.00 0.00 H new ATOM 0 HG22 THR A 43 23.045 -18.002 34.910 1.00 0.00 H new ATOM 0 HG23 THR A 43 22.113 -18.466 36.353 1.00 0.00 H new ATOM 646 N ALA A 44 22.945 -20.789 36.212 1.00 0.00 N ATOM 647 CA ALA A 44 21.916 -21.775 36.520 1.00 0.00 C ATOM 648 C ALA A 44 22.534 -23.067 37.043 1.00 0.00 C ATOM 649 O ALA A 44 21.864 -23.867 37.694 1.00 0.00 O ATOM 650 CB ALA A 44 21.067 -22.053 35.289 1.00 0.00 C ATOM 0 H ALA A 44 23.034 -20.568 35.220 1.00 0.00 H new ATOM 0 HA ALA A 44 21.277 -21.366 37.303 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.303 -22.791 35.533 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.589 -21.130 34.961 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.700 -22.438 34.490 1.00 0.00 H new ATOM 656 N GLY A 45 23.816 -23.266 36.752 1.00 0.00 N ATOM 657 CA GLY A 45 24.501 -24.464 37.199 1.00 0.00 C ATOM 658 C GLY A 45 24.903 -25.366 36.050 1.00 0.00 C ATOM 659 O GLY A 45 25.745 -26.250 36.210 1.00 0.00 O ATOM 0 H GLY A 45 24.392 -22.618 36.214 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.390 -24.181 37.763 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.854 -25.016 37.880 1.00 0.00 H new ATOM 663 N PHE A 46 24.300 -25.144 34.887 1.00 0.00 N ATOM 664 CA PHE A 46 24.598 -25.945 33.705 1.00 0.00 C ATOM 665 C PHE A 46 25.827 -25.407 32.979 1.00 0.00 C ATOM 666 O PHE A 46 25.716 -24.571 32.081 1.00 0.00 O ATOM 667 CB PHE A 46 23.397 -25.961 32.758 1.00 0.00 C ATOM 668 CG PHE A 46 22.091 -26.227 33.449 1.00 0.00 C ATOM 669 CD1 PHE A 46 21.786 -27.494 33.920 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.168 -25.210 33.630 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.584 -27.742 34.556 1.00 0.00 C ATOM 672 CE2 PHE A 46 19.965 -25.451 34.266 1.00 0.00 C ATOM 673 CZ PHE A 46 19.673 -26.718 34.731 1.00 0.00 C ATOM 0 H PHE A 46 23.602 -24.416 34.737 1.00 0.00 H new ATOM 0 HA PHE A 46 24.808 -26.964 34.030 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.338 -25.002 32.244 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.557 -26.723 31.995 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.496 -28.297 33.789 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.391 -24.217 33.270 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.357 -28.735 34.916 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.254 -24.649 34.399 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.734 -26.908 35.230 1.00 0.00 H new ATOM 683 N THR A 47 27.000 -25.892 33.373 1.00 0.00 N ATOM 684 CA THR A 47 28.250 -25.459 32.761 1.00 0.00 C ATOM 685 C THR A 47 28.731 -26.466 31.722 1.00 0.00 C ATOM 686 O THR A 47 29.453 -26.112 30.789 1.00 0.00 O ATOM 687 CB THR A 47 29.354 -25.263 33.818 1.00 0.00 C ATOM 688 OG1 THR A 47 29.603 -26.496 34.502 1.00 0.00 O ATOM 689 CG2 THR A 47 28.957 -24.192 34.823 1.00 0.00 C ATOM 0 H THR A 47 27.111 -26.585 34.113 1.00 0.00 H new ATOM 0 HA THR A 47 28.050 -24.505 32.273 1.00 0.00 H new ATOM 0 HB THR A 47 30.262 -24.942 33.307 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.307 -26.363 35.171 1.00 0.00 H new ATOM 0 HG21 THR A 47 29.752 -24.071 35.559 1.00 0.00 H new ATOM 0 HG22 THR A 47 28.797 -23.247 34.304 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.037 -24.489 35.327 1.00 0.00 H new ATOM 697 N SER A 48 28.327 -27.721 31.889 1.00 0.00 N ATOM 698 CA SER A 48 28.719 -28.779 30.966 1.00 0.00 C ATOM 699 C SER A 48 27.554 -29.173 30.064 1.00 0.00 C ATOM 700 O SER A 48 26.429 -29.362 30.529 1.00 0.00 O ATOM 701 CB SER A 48 29.215 -30.002 31.740 1.00 0.00 C ATOM 702 OG SER A 48 30.331 -29.674 32.550 1.00 0.00 O ATOM 0 H SER A 48 27.728 -28.030 32.655 1.00 0.00 H new ATOM 0 HA SER A 48 29.528 -28.400 30.341 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.411 -30.392 32.364 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.489 -30.792 31.041 1.00 0.00 H new ATOM 0 HG SER A 48 30.529 -30.421 33.152 1.00 0.00 H new ATOM 708 N LEU A 49 27.830 -29.295 28.770 1.00 0.00 N ATOM 709 CA LEU A 49 26.806 -29.666 27.800 1.00 0.00 C ATOM 710 C LEU A 49 26.172 -31.006 28.163 1.00 0.00 C ATOM 711 O LEU A 49 24.991 -31.234 27.905 1.00 0.00 O ATOM 712 CB LEU A 49 27.407 -29.738 26.396 1.00 0.00 C ATOM 713 CG LEU A 49 27.888 -28.413 25.803 1.00 0.00 C ATOM 714 CD1 LEU A 49 28.879 -28.660 24.676 1.00 0.00 C ATOM 715 CD2 LEU A 49 26.707 -27.591 25.306 1.00 0.00 C ATOM 0 H LEU A 49 28.755 -29.142 28.368 1.00 0.00 H new ATOM 0 HA LEU A 49 26.030 -28.901 27.818 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.249 -30.430 26.418 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.661 -30.164 25.725 1.00 0.00 H new ATOM 0 HG LEU A 49 28.394 -27.849 26.587 1.00 0.00 H new ATOM 0 HD11 LEU A 49 29.210 -27.705 24.267 1.00 0.00 H new ATOM 0 HD12 LEU A 49 29.739 -29.207 25.061 1.00 0.00 H new ATOM 0 HD13 LEU A 49 28.399 -29.245 23.891 1.00 0.00 H new ATOM 0 HD21 LEU A 49 27.068 -26.652 24.887 1.00 0.00 H new ATOM 0 HD22 LEU A 49 26.173 -28.149 24.537 1.00 0.00 H new ATOM 0 HD23 LEU A 49 26.033 -27.383 26.137 1.00 0.00 H new ATOM 727 N GLN A 50 26.966 -31.886 28.765 1.00 0.00 N ATOM 728 CA GLN A 50 26.481 -33.202 29.165 1.00 0.00 C ATOM 729 C GLN A 50 25.242 -33.081 30.046 1.00 0.00 C ATOM 730 O GLN A 50 24.403 -33.982 30.083 1.00 0.00 O ATOM 731 CB GLN A 50 27.577 -33.968 29.908 1.00 0.00 C ATOM 732 CG GLN A 50 27.899 -33.393 31.278 1.00 0.00 C ATOM 733 CD GLN A 50 29.325 -33.675 31.710 1.00 0.00 C ATOM 734 OE1 GLN A 50 29.979 -34.574 31.179 1.00 0.00 O ATOM 735 NE2 GLN A 50 29.814 -32.908 32.677 1.00 0.00 N ATOM 0 H GLN A 50 27.946 -31.712 28.986 1.00 0.00 H new ATOM 0 HA GLN A 50 26.211 -33.752 28.263 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.269 -35.007 30.023 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.483 -33.969 29.302 1.00 0.00 H new ATOM 0 HG2 GLN A 50 27.734 -32.316 31.263 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.211 -33.810 32.014 1.00 0.00 H new ATOM 0 HE21 GLN A 50 29.236 -32.175 33.088 1.00 0.00 H new ATOM 0 HE22 GLN A 50 30.768 -33.052 33.009 1.00 0.00 H new ATOM 744 N LEU A 51 25.133 -31.962 30.754 1.00 0.00 N ATOM 745 CA LEU A 51 23.995 -31.723 31.636 1.00 0.00 C ATOM 746 C LEU A 51 22.850 -31.060 30.879 1.00 0.00 C ATOM 747 O LEU A 51 21.684 -31.195 31.252 1.00 0.00 O ATOM 748 CB LEU A 51 24.416 -30.848 32.817 1.00 0.00 C ATOM 749 CG LEU A 51 25.559 -31.386 33.678 1.00 0.00 C ATOM 750 CD1 LEU A 51 25.940 -30.377 34.751 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.172 -32.716 34.308 1.00 0.00 C ATOM 0 H LEU A 51 25.818 -31.206 30.735 1.00 0.00 H new ATOM 0 HA LEU A 51 23.648 -32.686 32.011 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.706 -29.870 32.433 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.547 -30.694 33.457 1.00 0.00 H new ATOM 0 HG LEU A 51 26.425 -31.549 33.037 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.755 -30.777 35.354 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.260 -29.448 34.279 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.078 -30.182 35.389 1.00 0.00 H new ATOM 0 HD21 LEU A 51 25.998 -33.084 34.917 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.291 -32.579 34.935 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.950 -33.439 33.523 1.00 0.00 H new ATOM 763 N VAL A 52 23.189 -30.343 29.812 1.00 0.00 N ATOM 764 CA VAL A 52 22.188 -29.661 29.000 1.00 0.00 C ATOM 765 C VAL A 52 21.424 -30.648 28.125 1.00 0.00 C ATOM 766 O VAL A 52 20.290 -30.389 27.721 1.00 0.00 O ATOM 767 CB VAL A 52 22.831 -28.588 28.101 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.777 -27.911 27.239 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.579 -27.566 28.945 1.00 0.00 C ATOM 0 H VAL A 52 24.149 -30.219 29.490 1.00 0.00 H new ATOM 0 HA VAL A 52 21.495 -29.180 29.691 1.00 0.00 H new ATOM 0 HB VAL A 52 23.548 -29.075 27.440 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.250 -27.156 26.611 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.290 -28.655 26.608 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.034 -27.436 27.879 1.00 0.00 H new ATOM 0 HG21 VAL A 52 24.027 -26.815 28.294 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.884 -27.083 29.632 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.362 -28.067 29.514 1.00 0.00 H new ATOM 779 N THR A 53 22.051 -31.784 27.837 1.00 0.00 N ATOM 780 CA THR A 53 21.431 -32.811 27.009 1.00 0.00 C ATOM 781 C THR A 53 20.226 -33.428 27.710 1.00 0.00 C ATOM 782 O THR A 53 19.330 -33.968 27.062 1.00 0.00 O ATOM 783 CB THR A 53 22.432 -33.928 26.656 1.00 0.00 C ATOM 784 OG1 THR A 53 22.991 -34.482 27.852 1.00 0.00 O ATOM 785 CG2 THR A 53 23.547 -33.394 25.769 1.00 0.00 C ATOM 0 H THR A 53 22.988 -32.016 28.165 1.00 0.00 H new ATOM 0 HA THR A 53 21.104 -32.323 26.091 1.00 0.00 H new ATOM 0 HB THR A 53 21.897 -34.706 26.112 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.571 -33.818 28.280 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.242 -34.200 25.533 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.121 -33.000 24.846 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.078 -32.599 26.292 1.00 0.00 H new ATOM 793 N GLN A 54 20.211 -33.343 29.036 1.00 0.00 N ATOM 794 CA GLN A 54 19.115 -33.894 29.824 1.00 0.00 C ATOM 795 C GLN A 54 18.135 -32.799 30.234 1.00 0.00 C ATOM 796 O GLN A 54 17.393 -32.948 31.204 1.00 0.00 O ATOM 797 CB GLN A 54 19.657 -34.600 31.068 1.00 0.00 C ATOM 798 CG GLN A 54 20.846 -35.505 30.784 1.00 0.00 C ATOM 799 CD GLN A 54 21.293 -36.282 32.007 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.475 -36.862 32.721 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.597 -36.297 32.255 1.00 0.00 N ATOM 0 H GLN A 54 20.945 -32.898 29.587 1.00 0.00 H new ATOM 0 HA GLN A 54 18.585 -34.618 29.205 1.00 0.00 H new ATOM 0 HB2 GLN A 54 19.949 -33.850 31.803 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.859 -35.192 31.516 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.584 -36.204 29.990 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.677 -34.902 30.417 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.240 -35.802 31.636 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.956 -36.803 33.064 1.00 0.00 H new ATOM 810 N MET A 55 18.140 -31.699 29.488 1.00 0.00 N ATOM 811 CA MET A 55 17.250 -30.579 29.773 1.00 0.00 C ATOM 812 C MET A 55 16.112 -30.517 28.760 1.00 0.00 C ATOM 813 O MET A 55 16.170 -31.151 27.705 1.00 0.00 O ATOM 814 CB MET A 55 18.031 -29.264 29.762 1.00 0.00 C ATOM 815 CG MET A 55 18.897 -29.060 30.994 1.00 0.00 C ATOM 816 SD MET A 55 19.079 -27.321 31.436 1.00 0.00 S ATOM 817 CE MET A 55 20.587 -26.906 30.562 1.00 0.00 C ATOM 0 H MET A 55 18.750 -31.559 28.682 1.00 0.00 H new ATOM 0 HA MET A 55 16.822 -30.731 30.764 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.663 -29.234 28.875 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.328 -28.435 29.681 1.00 0.00 H new ATOM 0 HG2 MET A 55 18.460 -29.600 31.834 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.882 -29.491 30.816 1.00 0.00 H new ATOM 0 HE1 MET A 55 20.910 -25.905 30.849 1.00 0.00 H new ATOM 0 HE2 MET A 55 21.365 -27.625 30.817 1.00 0.00 H new ATOM 0 HE3 MET A 55 20.405 -26.935 29.488 1.00 0.00 H new ATOM 827 N THR A 56 15.076 -29.750 29.086 1.00 0.00 N ATOM 828 CA THR A 56 13.924 -29.606 28.205 1.00 0.00 C ATOM 829 C THR A 56 13.485 -28.150 28.107 1.00 0.00 C ATOM 830 O THR A 56 14.017 -27.283 28.801 1.00 0.00 O ATOM 831 CB THR A 56 12.736 -30.458 28.690 1.00 0.00 C ATOM 832 OG1 THR A 56 11.706 -30.475 27.696 1.00 0.00 O ATOM 833 CG2 THR A 56 12.178 -29.913 29.996 1.00 0.00 C ATOM 0 H THR A 56 15.012 -29.219 29.954 1.00 0.00 H new ATOM 0 HA THR A 56 14.234 -29.956 27.220 1.00 0.00 H new ATOM 0 HB THR A 56 13.092 -31.474 28.860 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.955 -31.020 28.012 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.340 -30.530 30.319 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.956 -29.929 30.759 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.837 -28.888 29.847 1.00 0.00 H new ATOM 841 N SER A 57 12.510 -27.887 27.243 1.00 0.00 N ATOM 842 CA SER A 57 12.000 -26.534 27.052 1.00 0.00 C ATOM 843 C SER A 57 11.615 -25.906 28.388 1.00 0.00 C ATOM 844 O SER A 57 11.695 -24.690 28.559 1.00 0.00 O ATOM 845 CB SER A 57 10.791 -26.549 26.115 1.00 0.00 C ATOM 846 OG SER A 57 10.641 -27.815 25.497 1.00 0.00 O ATOM 0 H SER A 57 12.057 -28.594 26.664 1.00 0.00 H new ATOM 0 HA SER A 57 12.791 -25.934 26.602 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.889 -26.306 26.676 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.909 -25.780 25.352 1.00 0.00 H new ATOM 0 HG SER A 57 10.193 -28.430 26.115 1.00 0.00 H new ATOM 852 N GLU A 58 11.198 -26.745 29.331 1.00 0.00 N ATOM 853 CA GLU A 58 10.800 -26.271 30.652 1.00 0.00 C ATOM 854 C GLU A 58 11.994 -25.694 31.406 1.00 0.00 C ATOM 855 O GLU A 58 11.869 -24.696 32.117 1.00 0.00 O ATOM 856 CB GLU A 58 10.175 -27.411 31.460 1.00 0.00 C ATOM 857 CG GLU A 58 8.914 -27.981 30.833 1.00 0.00 C ATOM 858 CD GLU A 58 8.146 -28.880 31.783 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.654 -29.974 32.107 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.036 -28.489 32.203 1.00 0.00 O ATOM 0 H GLU A 58 11.127 -27.755 29.205 1.00 0.00 H new ATOM 0 HA GLU A 58 10.061 -25.481 30.519 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.908 -28.210 31.572 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.941 -27.050 32.462 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.270 -27.162 30.513 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.180 -28.546 29.939 1.00 0.00 H new ATOM 867 N ASP A 59 13.150 -26.328 31.246 1.00 0.00 N ATOM 868 CA ASP A 59 14.367 -25.878 31.911 1.00 0.00 C ATOM 869 C ASP A 59 14.797 -24.510 31.389 1.00 0.00 C ATOM 870 O ASP A 59 15.426 -23.730 32.106 1.00 0.00 O ATOM 871 CB ASP A 59 15.492 -26.893 31.703 1.00 0.00 C ATOM 872 CG ASP A 59 15.543 -27.934 32.804 1.00 0.00 C ATOM 873 OD1 ASP A 59 14.552 -28.053 33.555 1.00 0.00 O ATOM 874 OD2 ASP A 59 16.574 -28.630 32.915 1.00 0.00 O ATOM 0 H ASP A 59 13.270 -27.155 30.661 1.00 0.00 H new ATOM 0 HA ASP A 59 14.158 -25.791 32.977 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.356 -27.390 30.743 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.447 -26.369 31.658 1.00 0.00 H new ATOM 879 N LEU A 60 14.455 -24.225 30.138 1.00 0.00 N ATOM 880 CA LEU A 60 14.806 -22.952 29.519 1.00 0.00 C ATOM 881 C LEU A 60 14.028 -21.804 30.156 1.00 0.00 C ATOM 882 O LEU A 60 14.559 -20.710 30.347 1.00 0.00 O ATOM 883 CB LEU A 60 14.529 -22.999 28.016 1.00 0.00 C ATOM 884 CG LEU A 60 14.875 -24.310 27.310 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.623 -24.195 25.815 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.323 -24.695 27.581 1.00 0.00 C ATOM 0 H LEU A 60 13.934 -24.859 29.532 1.00 0.00 H new ATOM 0 HA LEU A 60 15.870 -22.779 29.680 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.471 -22.791 27.855 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.088 -22.194 27.539 1.00 0.00 H new ATOM 0 HG LEU A 60 14.230 -25.095 27.706 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.875 -25.138 25.330 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.572 -23.966 25.640 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.241 -23.398 25.402 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.552 -25.631 27.071 1.00 0.00 H new ATOM 0 HD22 LEU A 60 16.983 -23.910 27.213 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.471 -24.821 28.654 1.00 0.00 H new ATOM 898 N LEU A 61 12.766 -22.062 30.484 1.00 0.00 N ATOM 899 CA LEU A 61 11.915 -21.052 31.102 1.00 0.00 C ATOM 900 C LEU A 61 12.281 -20.854 32.569 1.00 0.00 C ATOM 901 O LEU A 61 11.945 -19.834 33.171 1.00 0.00 O ATOM 902 CB LEU A 61 10.444 -21.454 30.981 1.00 0.00 C ATOM 903 CG LEU A 61 9.653 -20.779 29.860 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.109 -21.818 28.890 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.522 -19.940 30.435 1.00 0.00 C ATOM 0 H LEU A 61 12.310 -22.962 30.332 1.00 0.00 H new ATOM 0 HA LEU A 61 12.073 -20.109 30.578 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.394 -22.533 30.835 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.950 -21.237 31.928 1.00 0.00 H new ATOM 0 HG LEU A 61 10.326 -20.119 29.313 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.549 -21.319 28.099 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.937 -22.376 28.452 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.451 -22.504 29.423 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.970 -19.467 29.622 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.849 -20.579 31.007 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.935 -19.171 31.088 1.00 0.00 H new ATOM 917 N ARG A 62 12.974 -21.835 33.138 1.00 0.00 N ATOM 918 CA ARG A 62 13.387 -21.769 34.534 1.00 0.00 C ATOM 919 C ARG A 62 14.564 -20.813 34.708 1.00 0.00 C ATOM 920 O ARG A 62 14.642 -20.081 35.695 1.00 0.00 O ATOM 921 CB ARG A 62 13.766 -23.160 35.043 1.00 0.00 C ATOM 922 CG ARG A 62 12.600 -24.134 35.082 1.00 0.00 C ATOM 923 CD ARG A 62 12.228 -24.503 36.509 1.00 0.00 C ATOM 924 NE ARG A 62 11.278 -23.558 37.090 1.00 0.00 N ATOM 925 CZ ARG A 62 10.941 -23.550 38.374 1.00 0.00 C ATOM 926 NH1 ARG A 62 11.474 -24.431 39.209 1.00 0.00 N ATOM 927 NH2 ARG A 62 10.068 -22.658 38.827 1.00 0.00 N ATOM 0 H ARG A 62 13.261 -22.685 32.653 1.00 0.00 H new ATOM 0 HA ARG A 62 12.547 -21.393 35.118 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.549 -23.570 34.405 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.186 -23.069 36.045 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.738 -23.691 34.583 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.860 -25.036 34.528 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.798 -25.504 36.524 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.129 -24.534 37.122 1.00 0.00 H new ATOM 0 HE ARG A 62 10.850 -22.866 36.475 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.145 -25.118 38.866 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.213 -24.422 40.195 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.656 -21.978 38.188 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.810 -22.653 39.814 1.00 0.00 H new ATOM 941 N ILE A 63 15.478 -20.827 33.743 1.00 0.00 N ATOM 942 CA ILE A 63 16.650 -19.962 33.790 1.00 0.00 C ATOM 943 C ILE A 63 16.314 -18.555 33.308 1.00 0.00 C ATOM 944 O ILE A 63 16.963 -17.584 33.695 1.00 0.00 O ATOM 945 CB ILE A 63 17.799 -20.525 32.933 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.399 -20.548 31.456 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.179 -21.920 33.406 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.513 -20.995 30.535 1.00 0.00 C ATOM 0 H ILE A 63 15.429 -21.427 32.920 1.00 0.00 H new ATOM 0 HA ILE A 63 16.970 -19.920 34.831 1.00 0.00 H new ATOM 0 HB ILE A 63 18.667 -19.876 33.045 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.545 -21.213 31.330 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.073 -19.551 31.161 1.00 0.00 H new ATOM 0 HG21 ILE A 63 18.992 -22.304 32.790 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.501 -21.876 34.446 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.316 -22.581 33.321 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.158 -20.987 29.504 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.360 -20.316 30.632 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.824 -22.004 30.804 1.00 0.00 H new ATOM 960 N GLY A 64 15.294 -18.452 32.462 1.00 0.00 N ATOM 961 CA GLY A 64 14.888 -17.159 31.943 1.00 0.00 C ATOM 962 C GLY A 64 14.400 -17.237 30.509 1.00 0.00 C ATOM 963 O GLY A 64 13.460 -16.540 30.128 1.00 0.00 O ATOM 0 H GLY A 64 14.741 -19.241 32.127 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.096 -16.751 32.571 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.729 -16.468 32.000 1.00 0.00 H new ATOM 967 N ILE A 65 15.042 -18.087 29.714 1.00 0.00 N ATOM 968 CA ILE A 65 14.668 -18.252 28.314 1.00 0.00 C ATOM 969 C ILE A 65 13.174 -18.523 28.173 1.00 0.00 C ATOM 970 O ILE A 65 12.706 -19.634 28.422 1.00 0.00 O ATOM 971 CB ILE A 65 15.452 -19.402 27.655 1.00 0.00 C ATOM 972 CG1 ILE A 65 16.956 -19.141 27.746 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.025 -19.570 26.204 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.800 -20.369 27.480 1.00 0.00 C ATOM 0 H ILE A 65 15.822 -18.671 30.015 1.00 0.00 H new ATOM 0 HA ILE A 65 14.914 -17.318 27.808 1.00 0.00 H new ATOM 0 HB ILE A 65 15.230 -20.326 28.189 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.225 -18.363 27.032 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.191 -18.757 28.739 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.588 -20.386 25.751 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.960 -19.797 26.162 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.221 -18.647 25.658 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.856 -20.110 27.561 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.559 -21.141 28.210 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.594 -20.741 26.476 1.00 0.00 H new ATOM 986 N THR A 66 12.428 -17.499 27.769 1.00 0.00 N ATOM 987 CA THR A 66 10.987 -17.625 27.593 1.00 0.00 C ATOM 988 C THR A 66 10.565 -17.202 26.190 1.00 0.00 C ATOM 989 O THR A 66 9.424 -16.793 25.971 1.00 0.00 O ATOM 990 CB THR A 66 10.219 -16.779 28.625 1.00 0.00 C ATOM 991 OG1 THR A 66 10.552 -15.395 28.470 1.00 0.00 O ATOM 992 CG2 THR A 66 10.543 -17.228 30.042 1.00 0.00 C ATOM 0 H THR A 66 12.799 -16.573 27.558 1.00 0.00 H new ATOM 0 HA THR A 66 10.741 -18.677 27.741 1.00 0.00 H new ATOM 0 HB THR A 66 9.152 -16.917 28.452 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.058 -14.864 29.129 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.989 -16.616 30.753 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.261 -18.274 30.166 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.612 -17.117 30.223 1.00 0.00 H new ATOM 1000 N LEU A 67 11.492 -17.302 25.243 1.00 0.00 N ATOM 1001 CA LEU A 67 11.215 -16.930 23.860 1.00 0.00 C ATOM 1002 C LEU A 67 10.890 -18.160 23.020 1.00 0.00 C ATOM 1003 O LEU A 67 11.770 -18.962 22.709 1.00 0.00 O ATOM 1004 CB LEU A 67 12.413 -16.191 23.261 1.00 0.00 C ATOM 1005 CG LEU A 67 12.375 -14.665 23.355 1.00 0.00 C ATOM 1006 CD1 LEU A 67 13.507 -14.156 24.234 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.454 -14.043 21.968 1.00 0.00 C ATOM 0 H LEU A 67 12.441 -17.637 25.408 1.00 0.00 H new ATOM 0 HA LEU A 67 10.348 -16.270 23.854 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.317 -16.543 23.757 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.497 -16.468 22.210 1.00 0.00 H new ATOM 0 HG LEU A 67 11.429 -14.372 23.810 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.464 -13.068 24.289 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.406 -14.574 25.235 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.463 -14.460 23.808 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.426 -12.957 22.054 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.384 -14.345 21.486 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.609 -14.382 21.369 1.00 0.00 H new ATOM 1019 N ALA A 68 9.620 -18.302 22.653 1.00 0.00 N ATOM 1020 CA ALA A 68 9.180 -19.432 21.845 1.00 0.00 C ATOM 1021 C ALA A 68 10.015 -19.557 20.575 1.00 0.00 C ATOM 1022 O ALA A 68 10.333 -20.661 20.136 1.00 0.00 O ATOM 1023 CB ALA A 68 7.705 -19.290 21.498 1.00 0.00 C ATOM 0 H ALA A 68 8.878 -17.648 22.903 1.00 0.00 H new ATOM 0 HA ALA A 68 9.318 -20.341 22.430 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.390 -20.141 20.894 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.117 -19.258 22.415 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.551 -18.369 20.936 1.00 0.00 H new ATOM 1029 N GLY A 69 10.366 -18.417 19.989 1.00 0.00 N ATOM 1030 CA GLY A 69 11.160 -18.422 18.774 1.00 0.00 C ATOM 1031 C GLY A 69 12.604 -18.807 19.026 1.00 0.00 C ATOM 1032 O GLY A 69 13.317 -19.209 18.106 1.00 0.00 O ATOM 0 H GLY A 69 10.115 -17.490 20.333 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.721 -19.119 18.060 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.125 -17.433 18.317 1.00 0.00 H new ATOM 1036 N HIS A 70 13.038 -18.683 20.277 1.00 0.00 N ATOM 1037 CA HIS A 70 14.408 -19.020 20.648 1.00 0.00 C ATOM 1038 C HIS A 70 14.515 -20.487 21.055 1.00 0.00 C ATOM 1039 O HIS A 70 15.402 -21.205 20.594 1.00 0.00 O ATOM 1040 CB HIS A 70 14.884 -18.125 21.792 1.00 0.00 C ATOM 1041 CG HIS A 70 15.267 -16.745 21.353 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.805 -15.806 22.207 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.188 -16.148 20.141 1.00 0.00 C ATOM 1044 CE1 HIS A 70 16.039 -14.690 21.540 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.674 -14.871 20.284 1.00 0.00 N ATOM 0 H HIS A 70 12.461 -18.352 21.050 1.00 0.00 H new ATOM 0 HA HIS A 70 15.045 -18.855 19.779 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.094 -18.053 22.539 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.740 -18.594 22.277 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.813 -16.593 19.231 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.458 -13.784 21.952 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.742 -14.176 19.541 1.00 0.00 H new ATOM 1053 N GLN A 71 13.606 -20.923 21.921 1.00 0.00 N ATOM 1054 CA GLN A 71 13.600 -22.303 22.391 1.00 0.00 C ATOM 1055 C GLN A 71 13.616 -23.278 21.218 1.00 0.00 C ATOM 1056 O GLN A 71 14.222 -24.348 21.294 1.00 0.00 O ATOM 1057 CB GLN A 71 12.373 -22.561 23.267 1.00 0.00 C ATOM 1058 CG GLN A 71 12.331 -21.706 24.522 1.00 0.00 C ATOM 1059 CD GLN A 71 10.925 -21.527 25.060 1.00 0.00 C ATOM 1060 OE1 GLN A 71 9.945 -21.861 24.393 1.00 0.00 O ATOM 1061 NE2 GLN A 71 10.817 -20.999 26.274 1.00 0.00 N ATOM 0 H GLN A 71 12.865 -20.341 22.311 1.00 0.00 H new ATOM 0 HA GLN A 71 14.501 -22.462 22.984 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.473 -22.375 22.681 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.356 -23.613 23.553 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.954 -22.164 25.290 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.760 -20.728 24.305 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.655 -20.736 26.792 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.896 -20.856 26.688 1.00 0.00 H new ATOM 1070 N LYS A 72 12.947 -22.902 20.134 1.00 0.00 N ATOM 1071 CA LYS A 72 12.885 -23.741 18.943 1.00 0.00 C ATOM 1072 C LYS A 72 14.283 -24.155 18.495 1.00 0.00 C ATOM 1073 O LYS A 72 14.483 -25.260 17.990 1.00 0.00 O ATOM 1074 CB LYS A 72 12.172 -23.001 17.809 1.00 0.00 C ATOM 1075 CG LYS A 72 11.087 -23.823 17.134 1.00 0.00 C ATOM 1076 CD LYS A 72 9.732 -23.141 17.227 1.00 0.00 C ATOM 1077 CE LYS A 72 9.024 -23.486 18.528 1.00 0.00 C ATOM 1078 NZ LYS A 72 7.967 -24.516 18.328 1.00 0.00 N ATOM 0 H LYS A 72 12.439 -22.021 20.055 1.00 0.00 H new ATOM 0 HA LYS A 72 12.322 -24.640 19.192 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.730 -22.086 18.205 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.908 -22.703 17.062 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.346 -23.979 16.087 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.033 -24.807 17.599 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.861 -22.061 17.157 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.112 -23.443 16.383 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.753 -23.849 19.253 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.578 -22.585 18.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.508 -24.724 19.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.258 -24.160 17.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.396 -25.385 17.950 1.00 0.00 H new ATOM 1092 N LYS A 73 15.248 -23.262 18.684 1.00 0.00 N ATOM 1093 CA LYS A 73 16.629 -23.534 18.302 1.00 0.00 C ATOM 1094 C LYS A 73 17.337 -24.359 19.372 1.00 0.00 C ATOM 1095 O LYS A 73 18.002 -25.349 19.067 1.00 0.00 O ATOM 1096 CB LYS A 73 17.383 -22.223 18.070 1.00 0.00 C ATOM 1097 CG LYS A 73 18.741 -22.411 17.415 1.00 0.00 C ATOM 1098 CD LYS A 73 18.986 -21.371 16.334 1.00 0.00 C ATOM 1099 CE LYS A 73 20.008 -21.856 15.317 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.378 -22.175 14.006 1.00 0.00 N ATOM 0 H LYS A 73 15.099 -22.343 19.100 1.00 0.00 H new ATOM 0 HA LYS A 73 16.618 -24.108 17.375 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.775 -21.569 17.445 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.517 -21.716 19.026 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.523 -22.343 18.171 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.802 -23.409 16.982 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.048 -21.142 15.828 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.336 -20.445 16.791 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.772 -21.091 15.176 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.512 -22.742 15.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.107 -22.502 13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.667 -22.923 14.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.919 -21.323 13.625 1.00 0.00 H new ATOM 1114 N ILE A 74 17.188 -23.945 20.626 1.00 0.00 N ATOM 1115 CA ILE A 74 17.812 -24.647 21.741 1.00 0.00 C ATOM 1116 C ILE A 74 17.393 -26.112 21.771 1.00 0.00 C ATOM 1117 O ILE A 74 18.230 -27.011 21.679 1.00 0.00 O ATOM 1118 CB ILE A 74 17.453 -23.994 23.089 1.00 0.00 C ATOM 1119 CG1 ILE A 74 17.897 -22.530 23.105 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.095 -24.760 24.236 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.309 -21.733 24.249 1.00 0.00 C ATOM 0 H ILE A 74 16.641 -23.127 20.895 1.00 0.00 H new ATOM 0 HA ILE A 74 18.890 -24.583 21.591 1.00 0.00 H new ATOM 0 HB ILE A 74 16.371 -24.028 23.216 1.00 0.00 H new ATOM 0 HG12 ILE A 74 18.985 -22.489 23.166 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.612 -22.062 22.163 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.832 -24.286 25.182 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.735 -25.789 24.233 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.178 -24.754 24.116 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.667 -20.705 24.198 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.221 -21.743 24.178 1.00 0.00 H new ATOM 0 HD13 ILE A 74 17.615 -22.177 25.197 1.00 0.00 H new ATOM 1133 N LEU A 75 16.091 -26.347 21.899 1.00 0.00 N ATOM 1134 CA LEU A 75 15.559 -27.705 21.940 1.00 0.00 C ATOM 1135 C LEU A 75 16.020 -28.507 20.727 1.00 0.00 C ATOM 1136 O LEU A 75 16.393 -29.673 20.847 1.00 0.00 O ATOM 1137 CB LEU A 75 14.031 -27.673 21.993 1.00 0.00 C ATOM 1138 CG LEU A 75 13.416 -26.849 23.125 1.00 0.00 C ATOM 1139 CD1 LEU A 75 11.913 -26.715 22.931 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.727 -27.481 24.474 1.00 0.00 C ATOM 0 H LEU A 75 15.385 -25.615 21.976 1.00 0.00 H new ATOM 0 HA LEU A 75 15.938 -28.191 22.839 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.663 -27.282 21.044 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.669 -28.698 22.078 1.00 0.00 H new ATOM 0 HG LEU A 75 13.855 -25.852 23.103 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.492 -26.126 23.746 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.711 -26.218 21.982 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.457 -27.705 22.926 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.282 -26.881 25.268 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.315 -28.490 24.507 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.807 -27.525 24.615 1.00 0.00 H new ATOM 1152 N ASN A 76 15.995 -27.872 19.560 1.00 0.00 N ATOM 1153 CA ASN A 76 16.412 -28.526 18.325 1.00 0.00 C ATOM 1154 C ASN A 76 17.848 -29.031 18.435 1.00 0.00 C ATOM 1155 O ASN A 76 18.236 -29.981 17.756 1.00 0.00 O ATOM 1156 CB ASN A 76 16.288 -27.560 17.144 1.00 0.00 C ATOM 1157 CG ASN A 76 14.988 -27.739 16.385 1.00 0.00 C ATOM 1158 OD1 ASN A 76 14.980 -27.819 15.156 1.00 0.00 O ATOM 1159 ND2 ASN A 76 13.881 -27.802 17.115 1.00 0.00 N ATOM 0 H ASN A 76 15.690 -26.906 19.443 1.00 0.00 H new ATOM 0 HA ASN A 76 15.757 -29.381 18.157 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.355 -26.535 17.508 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.126 -27.712 16.464 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.976 -27.921 16.660 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.935 -27.731 18.131 1.00 0.00 H new ATOM 1166 N SER A 77 18.631 -28.388 19.295 1.00 0.00 N ATOM 1167 CA SER A 77 20.025 -28.769 19.492 1.00 0.00 C ATOM 1168 C SER A 77 20.153 -29.799 20.610 1.00 0.00 C ATOM 1169 O SER A 77 20.835 -30.814 20.459 1.00 0.00 O ATOM 1170 CB SER A 77 20.871 -27.537 19.818 1.00 0.00 C ATOM 1171 OG SER A 77 22.154 -27.627 19.222 1.00 0.00 O ATOM 0 H SER A 77 18.324 -27.601 19.867 1.00 0.00 H new ATOM 0 HA SER A 77 20.389 -29.216 18.567 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.364 -26.640 19.463 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.975 -27.439 20.899 1.00 0.00 H new ATOM 0 HG SER A 77 22.724 -28.216 19.759 1.00 0.00 H new ATOM 1177 N ILE A 78 19.494 -29.530 21.732 1.00 0.00 N ATOM 1178 CA ILE A 78 19.534 -30.433 22.876 1.00 0.00 C ATOM 1179 C ILE A 78 19.031 -31.822 22.497 1.00 0.00 C ATOM 1180 O ILE A 78 19.547 -32.833 22.976 1.00 0.00 O ATOM 1181 CB ILE A 78 18.690 -29.896 24.046 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.192 -28.516 24.475 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.729 -30.867 25.217 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.401 -27.912 25.614 1.00 0.00 C ATOM 0 H ILE A 78 18.926 -28.695 21.873 1.00 0.00 H new ATOM 0 HA ILE A 78 20.576 -30.499 23.190 1.00 0.00 H new ATOM 0 HB ILE A 78 17.656 -29.799 23.714 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.238 -28.595 24.772 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.153 -27.842 23.619 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.128 -30.473 26.036 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.329 -31.831 24.904 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.759 -30.993 25.551 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.813 -26.935 25.865 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.359 -27.801 25.314 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.460 -28.565 26.485 1.00 0.00 H new ATOM 1196 N HIS A 79 18.022 -31.865 21.632 1.00 0.00 N ATOM 1197 CA HIS A 79 17.451 -33.131 21.186 1.00 0.00 C ATOM 1198 C HIS A 79 18.444 -33.899 20.318 1.00 0.00 C ATOM 1199 O HIS A 79 18.536 -35.124 20.398 1.00 0.00 O ATOM 1200 CB HIS A 79 16.158 -32.886 20.408 1.00 0.00 C ATOM 1201 CG HIS A 79 15.165 -34.000 20.531 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.813 -33.829 20.321 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.333 -35.306 20.843 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.193 -34.981 20.500 1.00 0.00 C ATOM 1205 NE2 HIS A 79 14.093 -35.894 20.817 1.00 0.00 N ATOM 0 H HIS A 79 17.583 -31.038 21.226 1.00 0.00 H new ATOM 0 HA HIS A 79 17.227 -33.731 22.068 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.701 -31.962 20.761 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.399 -32.740 19.355 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.269 -35.795 21.070 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.130 -35.148 20.404 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.898 -36.876 21.011 1.00 0.00 H new ATOM 1213 N SER A 80 19.184 -33.170 19.488 1.00 0.00 N ATOM 1214 CA SER A 80 20.166 -33.783 18.602 1.00 0.00 C ATOM 1215 C SER A 80 21.434 -34.149 19.366 1.00 0.00 C ATOM 1216 O SER A 80 22.162 -35.064 18.981 1.00 0.00 O ATOM 1217 CB SER A 80 20.506 -32.835 17.450 1.00 0.00 C ATOM 1218 OG SER A 80 19.555 -32.941 16.404 1.00 0.00 O ATOM 0 H SER A 80 19.122 -32.155 19.411 1.00 0.00 H new ATOM 0 HA SER A 80 19.732 -34.697 18.196 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.536 -31.809 17.816 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.500 -33.065 17.067 1.00 0.00 H new ATOM 0 HG SER A 80 19.794 -32.324 15.681 1.00 0.00 H new ATOM 1224 N MET A 81 21.693 -33.426 20.451 1.00 0.00 N ATOM 1225 CA MET A 81 22.873 -33.675 21.271 1.00 0.00 C ATOM 1226 C MET A 81 22.756 -35.008 22.003 1.00 0.00 C ATOM 1227 O MET A 81 23.613 -35.881 21.862 1.00 0.00 O ATOM 1228 CB MET A 81 23.066 -32.541 22.281 1.00 0.00 C ATOM 1229 CG MET A 81 24.051 -31.478 21.820 1.00 0.00 C ATOM 1230 SD MET A 81 24.890 -30.667 23.193 1.00 0.00 S ATOM 1231 CE MET A 81 23.714 -29.377 23.595 1.00 0.00 C ATOM 0 H MET A 81 21.102 -32.664 20.782 1.00 0.00 H new ATOM 0 HA MET A 81 23.740 -33.718 20.612 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.102 -32.071 22.476 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.413 -32.961 23.225 1.00 0.00 H new ATOM 0 HG2 MET A 81 24.793 -31.935 21.165 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.522 -30.730 21.229 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.084 -28.798 24.441 1.00 0.00 H new ATOM 0 HE2 MET A 81 23.586 -28.721 22.734 1.00 0.00 H new ATOM 0 HE3 MET A 81 22.756 -29.826 23.855 1.00 0.00 H new ATOM 1241 N ARG A 82 21.690 -35.158 22.783 1.00 0.00 N ATOM 1242 CA ARG A 82 21.463 -36.385 23.537 1.00 0.00 C ATOM 1243 C ARG A 82 21.543 -37.606 22.626 1.00 0.00 C ATOM 1244 O ARG A 82 22.076 -38.647 23.011 1.00 0.00 O ATOM 1245 CB ARG A 82 20.098 -36.339 24.227 1.00 0.00 C ATOM 1246 CG ARG A 82 18.945 -36.055 23.278 1.00 0.00 C ATOM 1247 CD ARG A 82 17.663 -35.748 24.036 1.00 0.00 C ATOM 1248 NE ARG A 82 16.598 -36.695 23.717 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.499 -37.900 24.266 1.00 0.00 C ATOM 1250 NH1 ARG A 82 17.394 -38.303 25.157 1.00 0.00 N ATOM 1251 NH2 ARG A 82 15.501 -38.706 23.924 1.00 0.00 N ATOM 0 H ARG A 82 20.971 -34.446 22.909 1.00 0.00 H new ATOM 0 HA ARG A 82 22.243 -36.466 24.294 1.00 0.00 H new ATOM 0 HB2 ARG A 82 19.920 -37.292 24.726 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.117 -35.572 25.001 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.200 -35.212 22.636 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.787 -36.915 22.627 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.861 -35.773 25.108 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.333 -34.737 23.796 1.00 0.00 H new ATOM 0 HE ARG A 82 15.892 -36.416 23.036 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.162 -37.687 25.423 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.315 -39.229 25.577 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.810 -38.400 23.239 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.425 -39.632 24.346 1.00 0.00 H new