USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 701 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 31 HIS : no HD1:sc= -0.282 K(o=-2.5,f=-5.6) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= -0.914 F(o=-3.8,f=-2.5) USER MOD Set 1.3: A 100 GLN : amide:sc= -1.35 K(o=-2.5,f=-7.2!) USER MOD Set 2.1: A 45 MET CE :methyl 175:sc= -0.0835 (180deg=-0.0585) USER MOD Set 2.2: A 49 HIS : no HE2:sc= -0.939 K(o=0.18,f=-2.3) USER MOD Set 2.3: A 53 SER OG : rot 52:sc= 1.21 USER MOD Set 3.1: A 20 MET CE :methyl -110:sc= -1.02 (180deg=-4.01!) USER MOD Set 3.2: A 63 MET CE :methyl -178:sc= -0.208 (180deg=-0.241) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= -0.126 (180deg=-0.395) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.885 K(o=0.88,f=-0.27) USER MOD Single : A 35 CYS SG : rot -80:sc= -0.457 USER MOD Single : A 36 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 38 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.025) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0525 X(o=-0.052,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0123) USER MOD Single : A 64 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.429) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 1.35 K(o=1.3,f=-0.24) USER MOD Single : A 79 SER OG : rot 63:sc= 0.0377 USER MOD Single : A 83 THR OG1 : rot -41:sc= 0.505 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.310 10.797 16.630 1.00 0.00 N ATOM 285 CA TYR A 18 5.627 11.393 16.439 1.00 0.00 C ATOM 286 C TYR A 18 6.880 10.526 16.312 1.00 0.00 C ATOM 287 O TYR A 18 7.882 10.982 15.766 1.00 0.00 O ATOM 288 CB TYR A 18 5.855 12.409 17.621 1.00 0.00 C ATOM 289 CG TYR A 18 4.609 13.258 17.911 1.00 0.00 C ATOM 290 CD1 TYR A 18 4.399 14.456 17.239 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.619 12.836 18.807 1.00 0.00 C ATOM 292 CE1 TYR A 18 3.246 15.194 17.441 1.00 0.00 C ATOM 293 CE2 TYR A 18 2.444 13.552 18.968 1.00 0.00 C ATOM 294 CZ TYR A 18 2.265 14.735 18.293 1.00 0.00 C ATOM 295 OH TYR A 18 1.045 15.423 18.448 1.00 0.00 O ATOM 0 HA TYR A 18 5.550 11.809 15.435 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.134 11.860 18.520 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.690 13.066 17.376 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.147 14.817 16.549 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.774 11.936 19.383 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.114 16.135 16.928 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.670 13.181 19.623 1.00 0.00 H new ATOM 0 HH TYR A 18 0.480 14.946 19.090 1.00 0.00 H new ATOM 305 N ASP A 19 6.887 9.283 16.856 1.00 0.00 N ATOM 306 CA ASP A 19 8.095 8.450 16.932 1.00 0.00 C ATOM 307 C ASP A 19 8.366 7.486 15.774 1.00 0.00 C ATOM 308 O ASP A 19 8.961 7.838 14.756 1.00 0.00 O ATOM 309 CB ASP A 19 8.153 7.682 18.287 1.00 0.00 C ATOM 310 CG ASP A 19 8.152 8.685 19.445 1.00 0.00 C ATOM 311 OD1 ASP A 19 9.127 9.479 19.542 1.00 0.00 O ATOM 312 OD2 ASP A 19 7.179 8.672 20.243 1.00 0.00 O ATOM 0 H ASP A 19 6.057 8.840 17.250 1.00 0.00 H new ATOM 0 HA ASP A 19 8.897 9.183 16.851 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.299 7.011 18.373 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.050 7.064 18.328 1.00 0.00 H new ATOM 317 N MET A 20 7.974 6.190 15.939 1.00 0.00 N ATOM 318 CA MET A 20 8.284 5.013 15.118 1.00 0.00 C ATOM 319 C MET A 20 7.964 5.001 13.626 1.00 0.00 C ATOM 320 O MET A 20 8.605 4.323 12.831 1.00 0.00 O ATOM 321 CB MET A 20 8.242 3.681 15.921 1.00 0.00 C ATOM 322 CG MET A 20 7.076 2.697 15.731 1.00 0.00 C ATOM 323 SD MET A 20 6.903 1.843 14.132 1.00 0.00 S ATOM 324 CE MET A 20 8.586 1.261 13.755 1.00 0.00 C ATOM 0 H MET A 20 7.379 5.934 16.727 1.00 0.00 H new ATOM 0 HA MET A 20 9.339 5.160 14.888 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.161 3.140 15.696 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.276 3.941 16.979 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.158 1.935 16.506 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.150 3.242 15.916 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.989 1.831 12.918 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.223 1.399 14.629 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.555 0.204 13.493 1.00 0.00 H new ATOM 334 N VAL A 21 6.972 5.814 13.186 1.00 0.00 N ATOM 335 CA VAL A 21 6.610 6.018 11.753 1.00 0.00 C ATOM 336 C VAL A 21 7.649 6.765 10.932 1.00 0.00 C ATOM 337 O VAL A 21 7.760 6.543 9.729 1.00 0.00 O ATOM 338 CB VAL A 21 5.204 6.571 11.473 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.189 5.912 12.428 1.00 0.00 C ATOM 340 CG2 VAL A 21 5.120 8.123 11.565 1.00 0.00 C ATOM 0 H VAL A 21 6.389 6.357 13.823 1.00 0.00 H new ATOM 0 HA VAL A 21 6.594 4.984 11.408 1.00 0.00 H new ATOM 0 HB VAL A 21 4.961 6.320 10.441 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.192 6.306 12.228 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.191 4.833 12.273 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.465 6.131 13.460 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.100 8.445 11.356 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.404 8.444 12.567 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.797 8.568 10.836 1.00 0.00 H new ATOM 350 N VAL A 22 8.415 7.715 11.560 1.00 0.00 N ATOM 351 CA VAL A 22 9.430 8.612 10.977 1.00 0.00 C ATOM 352 C VAL A 22 10.515 7.900 10.148 1.00 0.00 C ATOM 353 O VAL A 22 10.906 8.391 9.096 1.00 0.00 O ATOM 354 CB VAL A 22 10.008 9.554 12.044 1.00 0.00 C ATOM 355 CG1 VAL A 22 11.142 10.470 11.521 1.00 0.00 C ATOM 356 CG2 VAL A 22 8.855 10.424 12.600 1.00 0.00 C ATOM 0 H VAL A 22 8.319 7.873 12.563 1.00 0.00 H new ATOM 0 HA VAL A 22 8.906 9.222 10.241 1.00 0.00 H new ATOM 0 HB VAL A 22 10.456 8.932 12.819 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.499 11.106 12.331 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.964 9.857 11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.762 11.093 10.711 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.244 11.101 13.360 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.413 11.004 11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.094 9.781 13.042 1.00 0.00 H new ATOM 366 N LYS A 23 10.955 6.676 10.551 1.00 0.00 N ATOM 367 CA LYS A 23 11.780 5.750 9.758 1.00 0.00 C ATOM 368 C LYS A 23 11.046 5.017 8.612 1.00 0.00 C ATOM 369 O LYS A 23 11.645 4.658 7.603 1.00 0.00 O ATOM 370 CB LYS A 23 12.567 4.741 10.641 1.00 0.00 C ATOM 371 CG LYS A 23 11.715 3.914 11.621 1.00 0.00 C ATOM 372 CD LYS A 23 11.976 4.256 13.100 1.00 0.00 C ATOM 373 CE LYS A 23 11.618 5.700 13.479 1.00 0.00 C ATOM 374 NZ LYS A 23 11.817 5.946 14.925 1.00 0.00 N ATOM 0 H LYS A 23 10.731 6.303 11.473 1.00 0.00 H new ATOM 0 HA LYS A 23 12.491 6.414 9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.106 4.055 9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.315 5.291 11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.660 4.076 11.399 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.916 2.855 11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.402 3.574 13.727 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.029 4.083 13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.233 6.392 12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.580 5.900 13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.992 6.450 15.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.929 5.038 15.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.671 6.524 15.065 1.00 0.00 H new ATOM 388 N ILE A 24 9.713 4.756 8.752 1.00 0.00 N ATOM 389 CA ILE A 24 8.790 4.156 7.767 1.00 0.00 C ATOM 390 C ILE A 24 8.346 5.123 6.676 1.00 0.00 C ATOM 391 O ILE A 24 8.282 4.758 5.505 1.00 0.00 O ATOM 392 CB ILE A 24 7.640 3.367 8.411 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.153 1.926 8.700 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.317 3.354 7.579 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.293 1.219 9.749 1.00 0.00 C ATOM 0 H ILE A 24 9.230 4.979 9.622 1.00 0.00 H new ATOM 0 HA ILE A 24 9.381 3.406 7.240 1.00 0.00 H new ATOM 0 HB ILE A 24 7.361 3.874 9.335 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.150 1.347 7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.186 1.970 9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.560 2.775 8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.963 4.376 7.443 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.504 2.902 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.683 0.216 9.923 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.317 1.785 10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.265 1.152 9.392 1.00 0.00 H new ATOM 407 N ILE A 25 8.057 6.426 6.982 1.00 0.00 N ATOM 408 CA ILE A 25 7.672 7.503 6.030 1.00 0.00 C ATOM 409 C ILE A 25 8.664 7.697 4.860 1.00 0.00 C ATOM 410 O ILE A 25 8.279 8.000 3.732 1.00 0.00 O ATOM 411 CB ILE A 25 7.144 8.805 6.671 1.00 0.00 C ATOM 412 CG1 ILE A 25 8.216 9.522 7.525 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.873 8.454 7.494 1.00 0.00 C ATOM 414 CD1 ILE A 25 7.717 10.729 8.340 1.00 0.00 C ATOM 0 H ILE A 25 8.089 6.763 7.944 1.00 0.00 H new ATOM 0 HA ILE A 25 6.775 7.110 5.551 1.00 0.00 H new ATOM 0 HB ILE A 25 6.888 9.517 5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.652 8.797 8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.016 9.857 6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.479 9.358 7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.118 8.027 6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.129 7.731 8.268 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.547 11.157 8.901 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.310 11.481 7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.940 10.404 9.032 1.00 0.00 H new ATOM 426 N ASP A 26 9.974 7.393 5.125 1.00 0.00 N ATOM 427 CA ASP A 26 11.083 7.256 4.179 1.00 0.00 C ATOM 428 C ASP A 26 10.958 6.075 3.191 1.00 0.00 C ATOM 429 O ASP A 26 11.328 6.240 2.033 1.00 0.00 O ATOM 430 CB ASP A 26 12.463 7.141 4.890 1.00 0.00 C ATOM 431 CG ASP A 26 12.699 8.349 5.801 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.636 9.501 5.291 1.00 0.00 O ATOM 433 OD2 ASP A 26 12.956 8.133 7.015 1.00 0.00 O ATOM 0 H ASP A 26 10.284 7.229 6.083 1.00 0.00 H new ATOM 0 HA ASP A 26 11.023 8.180 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.501 6.223 5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.258 7.078 4.147 1.00 0.00 H new ATOM 438 N VAL A 27 10.391 4.868 3.573 1.00 0.00 N ATOM 439 CA VAL A 27 10.133 3.698 2.695 1.00 0.00 C ATOM 440 C VAL A 27 9.091 4.035 1.615 1.00 0.00 C ATOM 441 O VAL A 27 9.309 3.822 0.421 1.00 0.00 O ATOM 442 CB VAL A 27 9.824 2.292 3.325 1.00 0.00 C ATOM 443 CG1 VAL A 27 10.792 1.812 4.433 1.00 0.00 C ATOM 444 CG2 VAL A 27 8.388 2.033 3.845 1.00 0.00 C ATOM 0 H VAL A 27 10.099 4.698 4.535 1.00 0.00 H new ATOM 0 HA VAL A 27 11.129 3.539 2.283 1.00 0.00 H new ATOM 0 HB VAL A 27 9.971 1.709 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.478 0.831 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.802 1.745 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.778 2.521 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.325 1.023 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.148 2.754 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.679 2.139 3.024 1.00 0.00 H new ATOM 454 N LEU A 28 7.942 4.671 2.012 1.00 0.00 N ATOM 455 CA LEU A 28 6.876 5.144 1.115 1.00 0.00 C ATOM 456 C LEU A 28 7.305 6.292 0.189 1.00 0.00 C ATOM 457 O LEU A 28 7.205 6.110 -1.019 1.00 0.00 O ATOM 458 CB LEU A 28 5.555 5.543 1.869 1.00 0.00 C ATOM 459 CG LEU A 28 4.527 4.396 2.120 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.153 3.094 2.647 1.00 0.00 C ATOM 461 CD2 LEU A 28 3.399 4.820 3.085 1.00 0.00 C ATOM 0 H LEU A 28 7.743 4.865 2.993 1.00 0.00 H new ATOM 0 HA LEU A 28 6.666 4.274 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.828 5.974 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.059 6.328 1.298 1.00 0.00 H new ATOM 0 HG LEU A 28 4.116 4.196 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.372 2.348 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.879 2.721 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.653 3.289 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.710 3.988 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.829 5.103 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.860 5.669 2.664 1.00 0.00 H new ATOM 473 N ARG A 29 7.891 7.434 0.653 1.00 0.00 N ATOM 474 CA ARG A 29 8.396 8.545 -0.218 1.00 0.00 C ATOM 475 C ARG A 29 9.445 8.189 -1.307 1.00 0.00 C ATOM 476 O ARG A 29 9.562 8.826 -2.348 1.00 0.00 O ATOM 477 CB ARG A 29 8.873 9.719 0.676 1.00 0.00 C ATOM 478 CG ARG A 29 9.068 11.068 -0.041 1.00 0.00 C ATOM 479 CD ARG A 29 9.329 12.223 0.938 1.00 0.00 C ATOM 480 NE ARG A 29 9.474 13.515 0.175 1.00 0.00 N ATOM 481 CZ ARG A 29 10.645 13.946 -0.391 1.00 0.00 C ATOM 482 NH1 ARG A 29 11.788 13.204 -0.307 1.00 0.00 N ATOM 483 NH2 ARG A 29 10.668 15.141 -1.052 1.00 0.00 N ATOM 0 H ARG A 29 8.028 7.613 1.648 1.00 0.00 H new ATOM 0 HA ARG A 29 7.536 8.829 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.149 9.857 1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.817 9.436 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.904 10.989 -0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.181 11.292 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.508 12.301 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.233 12.027 1.514 1.00 0.00 H new ATOM 0 HE ARG A 29 8.648 14.105 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.781 12.310 0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.649 13.544 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.819 15.702 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.534 15.472 -1.477 1.00 0.00 H new ATOM 497 N SER A 30 10.238 7.130 -1.027 1.00 0.00 N ATOM 498 CA SER A 30 11.350 6.530 -1.793 1.00 0.00 C ATOM 499 C SER A 30 10.842 5.692 -2.948 1.00 0.00 C ATOM 500 O SER A 30 11.174 5.908 -4.111 1.00 0.00 O ATOM 501 CB SER A 30 12.264 5.688 -0.843 1.00 0.00 C ATOM 502 OG SER A 30 13.532 5.289 -1.373 1.00 0.00 O ATOM 0 H SER A 30 10.096 6.617 -0.157 1.00 0.00 H new ATOM 0 HA SER A 30 11.944 7.338 -2.221 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.439 6.266 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.718 4.791 -0.549 1.00 0.00 H new ATOM 0 HG SER A 30 14.020 4.772 -0.699 1.00 0.00 H new ATOM 508 N HIS A 31 9.907 4.741 -2.659 1.00 0.00 N ATOM 509 CA HIS A 31 9.162 3.952 -3.622 1.00 0.00 C ATOM 510 C HIS A 31 8.206 4.818 -4.468 1.00 0.00 C ATOM 511 O HIS A 31 7.930 4.519 -5.623 1.00 0.00 O ATOM 512 CB HIS A 31 8.349 2.834 -2.933 1.00 0.00 C ATOM 513 CG HIS A 31 9.021 1.980 -1.898 1.00 0.00 C ATOM 514 ND1 HIS A 31 8.241 1.243 -1.039 1.00 0.00 N ATOM 515 CD2 HIS A 31 10.312 1.640 -1.615 1.00 0.00 C ATOM 516 CE1 HIS A 31 9.082 0.507 -0.272 1.00 0.00 C ATOM 517 NE2 HIS A 31 10.349 0.708 -0.586 1.00 0.00 N ATOM 0 H HIS A 31 9.658 4.511 -1.697 1.00 0.00 H new ATOM 0 HA HIS A 31 9.905 3.504 -4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.482 3.299 -2.464 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.973 2.172 -3.713 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.180 2.038 -2.119 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.754 -0.166 0.506 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.172 0.275 -0.166 1.00 0.00 H new ATOM 525 N ASN A 32 7.682 5.920 -3.854 1.00 0.00 N ATOM 526 CA ASN A 32 6.832 6.949 -4.444 1.00 0.00 C ATOM 527 C ASN A 32 7.488 7.963 -5.388 1.00 0.00 C ATOM 528 O ASN A 32 6.881 8.338 -6.379 1.00 0.00 O ATOM 529 CB ASN A 32 5.859 7.587 -3.429 1.00 0.00 C ATOM 530 CG ASN A 32 4.771 6.544 -3.173 1.00 0.00 C ATOM 531 OD1 ASN A 32 3.717 6.633 -3.797 1.00 0.00 O ATOM 532 ND2 ASN A 32 5.058 5.505 -2.355 1.00 0.00 N ATOM 0 H ASN A 32 7.867 6.107 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 32 6.234 6.368 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.375 7.847 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.431 8.508 -3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.384 4.749 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.949 5.478 -1.858 1.00 0.00 H new ATOM 539 N GLU A 33 8.752 8.425 -5.198 1.00 0.00 N ATOM 540 CA GLU A 33 9.474 9.294 -6.156 1.00 0.00 C ATOM 541 C GLU A 33 9.914 8.570 -7.437 1.00 0.00 C ATOM 542 O GLU A 33 9.907 9.092 -8.546 1.00 0.00 O ATOM 543 CB GLU A 33 10.610 10.096 -5.462 1.00 0.00 C ATOM 544 CG GLU A 33 11.832 9.260 -5.061 1.00 0.00 C ATOM 545 CD GLU A 33 12.834 10.120 -4.296 1.00 0.00 C ATOM 546 OE1 GLU A 33 13.357 11.098 -4.895 1.00 0.00 O ATOM 547 OE2 GLU A 33 13.090 9.812 -3.100 1.00 0.00 O ATOM 0 H GLU A 33 9.300 8.201 -4.368 1.00 0.00 H new ATOM 0 HA GLU A 33 8.753 10.031 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.935 10.892 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.206 10.575 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.519 8.418 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.304 8.844 -5.951 1.00 0.00 H new ATOM 554 N ALA A 34 10.246 7.274 -7.244 1.00 0.00 N ATOM 555 CA ALA A 34 10.567 6.197 -8.174 1.00 0.00 C ATOM 556 C ALA A 34 9.348 5.682 -8.951 1.00 0.00 C ATOM 557 O ALA A 34 9.455 5.079 -10.016 1.00 0.00 O ATOM 558 CB ALA A 34 11.298 5.075 -7.406 1.00 0.00 C ATOM 0 H ALA A 34 10.299 6.922 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 34 11.229 6.594 -8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.543 4.264 -8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.215 5.471 -6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.653 4.697 -6.613 1.00 0.00 H new ATOM 564 N CYS A 35 8.135 5.864 -8.358 1.00 0.00 N ATOM 565 CA CYS A 35 6.808 5.442 -8.830 1.00 0.00 C ATOM 566 C CYS A 35 6.345 6.010 -10.134 1.00 0.00 C ATOM 567 O CYS A 35 5.887 5.274 -10.999 1.00 0.00 O ATOM 568 CB CYS A 35 5.717 5.593 -7.717 1.00 0.00 C ATOM 569 SG CYS A 35 4.565 7.045 -7.643 1.00 0.00 S ATOM 0 H CYS A 35 8.067 6.351 -7.464 1.00 0.00 H new ATOM 0 HA CYS A 35 6.952 4.385 -9.052 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.092 4.701 -7.769 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.240 5.560 -6.761 1.00 0.00 H new ATOM 0 HG CYS A 35 5.178 8.058 -7.106 1.00 0.00 H new ATOM 575 N GLN A 36 6.552 7.352 -10.316 1.00 0.00 N ATOM 576 CA GLN A 36 6.223 8.177 -11.489 1.00 0.00 C ATOM 577 C GLN A 36 6.951 7.783 -12.768 1.00 0.00 C ATOM 578 O GLN A 36 6.720 8.292 -13.855 1.00 0.00 O ATOM 579 CB GLN A 36 6.325 9.703 -11.200 1.00 0.00 C ATOM 580 CG GLN A 36 7.731 10.285 -10.902 1.00 0.00 C ATOM 581 CD GLN A 36 8.529 10.612 -12.174 1.00 0.00 C ATOM 582 OE1 GLN A 36 8.261 11.593 -12.871 1.00 0.00 O ATOM 583 NE2 GLN A 36 9.518 9.745 -12.509 1.00 0.00 N ATOM 0 H GLN A 36 6.986 7.912 -9.582 1.00 0.00 H new ATOM 0 HA GLN A 36 5.174 7.957 -11.685 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.916 10.236 -12.059 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.681 9.928 -10.350 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.624 11.190 -10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.294 9.571 -10.301 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.716 8.942 -11.912 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.063 9.896 -13.358 1.00 0.00 H new ATOM 592 N GLU A 37 7.964 6.909 -12.586 1.00 0.00 N ATOM 593 CA GLU A 37 8.857 6.425 -13.620 1.00 0.00 C ATOM 594 C GLU A 37 8.460 5.030 -14.054 1.00 0.00 C ATOM 595 O GLU A 37 8.884 4.544 -15.100 1.00 0.00 O ATOM 596 CB GLU A 37 10.292 6.446 -13.006 1.00 0.00 C ATOM 597 CG GLU A 37 11.341 5.397 -13.433 1.00 0.00 C ATOM 598 CD GLU A 37 11.996 5.758 -14.766 1.00 0.00 C ATOM 599 OE1 GLU A 37 12.641 6.838 -14.836 1.00 0.00 O ATOM 600 OE2 GLU A 37 11.872 4.954 -15.729 1.00 0.00 O ATOM 0 H GLU A 37 8.177 6.515 -11.670 1.00 0.00 H new ATOM 0 HA GLU A 37 8.812 7.050 -14.512 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.716 7.428 -13.213 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.181 6.368 -11.924 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.107 5.315 -12.662 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.865 4.420 -13.515 1.00 0.00 H new ATOM 607 N ASN A 38 7.672 4.307 -13.228 1.00 0.00 N ATOM 608 CA ASN A 38 7.429 2.903 -13.417 1.00 0.00 C ATOM 609 C ASN A 38 5.957 2.673 -13.469 1.00 0.00 C ATOM 610 O ASN A 38 5.151 3.586 -13.301 1.00 0.00 O ATOM 611 CB ASN A 38 8.079 2.163 -12.213 1.00 0.00 C ATOM 612 CG ASN A 38 9.445 1.649 -12.637 1.00 0.00 C ATOM 613 OD1 ASN A 38 9.517 0.676 -13.385 1.00 0.00 O ATOM 614 ND2 ASN A 38 10.547 2.304 -12.192 1.00 0.00 N ATOM 0 H ASN A 38 7.197 4.703 -12.417 1.00 0.00 H new ATOM 0 HA ASN A 38 7.857 2.532 -14.348 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.176 2.838 -11.363 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.447 1.335 -11.892 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.475 1.993 -12.477 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.447 3.108 -11.572 1.00 0.00 H new ATOM 621 N LYS A 39 5.585 1.387 -13.701 1.00 0.00 N ATOM 622 CA LYS A 39 4.204 0.935 -13.743 1.00 0.00 C ATOM 623 C LYS A 39 3.713 0.583 -12.340 1.00 0.00 C ATOM 624 O LYS A 39 2.788 1.177 -11.798 1.00 0.00 O ATOM 625 CB LYS A 39 4.012 -0.190 -14.814 1.00 0.00 C ATOM 626 CG LYS A 39 4.797 -1.515 -14.636 1.00 0.00 C ATOM 627 CD LYS A 39 4.000 -2.577 -13.861 1.00 0.00 C ATOM 628 CE LYS A 39 3.337 -3.619 -14.770 1.00 0.00 C ATOM 629 NZ LYS A 39 2.205 -3.045 -15.536 1.00 0.00 N ATOM 0 H LYS A 39 6.259 0.639 -13.864 1.00 0.00 H new ATOM 0 HA LYS A 39 3.560 1.748 -14.078 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.951 -0.435 -14.853 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.278 0.227 -15.785 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.063 -1.910 -15.617 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.730 -1.312 -14.111 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.666 -3.085 -13.164 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.232 -2.083 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.077 -4.020 -15.462 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.980 -4.453 -14.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.784 -3.781 -16.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.486 -2.685 -14.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.549 -2.265 -16.132 1.00 0.00 H new ATOM 643 N ASP A 40 4.366 -0.415 -11.730 1.00 0.00 N ATOM 644 CA ASP A 40 4.231 -0.813 -10.356 1.00 0.00 C ATOM 645 C ASP A 40 5.566 -1.407 -9.941 1.00 0.00 C ATOM 646 O ASP A 40 5.732 -2.618 -10.025 1.00 0.00 O ATOM 647 CB ASP A 40 2.945 -1.617 -9.959 1.00 0.00 C ATOM 648 CG ASP A 40 2.514 -2.762 -10.882 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.249 -3.776 -10.984 1.00 0.00 O ATOM 650 OD2 ASP A 40 1.414 -2.639 -11.489 1.00 0.00 O ATOM 0 H ASP A 40 5.042 -0.992 -12.231 1.00 0.00 H new ATOM 0 HA ASP A 40 4.017 0.068 -9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.100 -2.029 -8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.116 -0.912 -9.887 1.00 0.00 H new ATOM 655 N LEU A 41 6.577 -0.597 -9.464 1.00 0.00 N ATOM 656 CA LEU A 41 7.888 -1.059 -8.941 1.00 0.00 C ATOM 657 C LEU A 41 7.844 -1.922 -7.655 1.00 0.00 C ATOM 658 O LEU A 41 8.672 -2.797 -7.422 1.00 0.00 O ATOM 659 CB LEU A 41 8.928 0.074 -8.814 1.00 0.00 C ATOM 660 CG LEU A 41 8.755 0.987 -7.589 1.00 0.00 C ATOM 661 CD1 LEU A 41 9.840 0.728 -6.535 1.00 0.00 C ATOM 662 CD2 LEU A 41 8.767 2.415 -8.088 1.00 0.00 C ATOM 0 H LEU A 41 6.485 0.418 -9.439 1.00 0.00 H new ATOM 0 HA LEU A 41 8.219 -1.741 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.923 -0.370 -8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.885 0.688 -9.714 1.00 0.00 H new ATOM 0 HG LEU A 41 7.810 0.780 -7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.686 1.391 -5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.784 -0.308 -6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.822 0.917 -6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.646 3.096 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.715 2.618 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.948 2.561 -8.793 1.00 0.00 H new ATOM 674 N GLN A 42 6.809 -1.697 -6.821 1.00 0.00 N ATOM 675 CA GLN A 42 6.330 -2.340 -5.616 1.00 0.00 C ATOM 676 C GLN A 42 5.127 -3.275 -5.907 1.00 0.00 C ATOM 677 O GLN A 42 4.172 -3.187 -5.126 1.00 0.00 O ATOM 678 CB GLN A 42 6.354 -1.428 -4.352 1.00 0.00 C ATOM 679 CG GLN A 42 5.116 -0.555 -4.105 1.00 0.00 C ATOM 680 CD GLN A 42 5.441 0.792 -3.455 1.00 0.00 C ATOM 681 OE1 GLN A 42 5.656 1.817 -4.325 1.00 0.00 O flip ATOM 682 NE2 GLN A 42 5.490 0.980 -2.236 1.00 0.00 N flip ATOM 0 H GLN A 42 6.192 -0.913 -7.036 1.00 0.00 H new ATOM 0 HA GLN A 42 7.061 -3.066 -5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.502 -2.062 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.223 -0.773 -4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.610 -0.379 -5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.419 -1.099 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.327 0.205 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.693 1.911 -1.871 1.00 0.00 H new ATOM 691 N PRO A 43 5.013 -4.088 -7.052 1.00 0.00 N ATOM 692 CA PRO A 43 3.816 -4.721 -7.678 1.00 0.00 C ATOM 693 C PRO A 43 2.838 -5.397 -6.701 1.00 0.00 C ATOM 694 O PRO A 43 1.637 -5.384 -6.948 1.00 0.00 O ATOM 695 CB PRO A 43 4.415 -5.762 -8.654 1.00 0.00 C ATOM 696 CG PRO A 43 5.778 -6.105 -8.069 1.00 0.00 C ATOM 697 CD PRO A 43 6.218 -4.719 -7.614 1.00 0.00 C ATOM 0 HA PRO A 43 3.200 -3.956 -8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.782 -6.646 -8.726 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.508 -5.353 -9.660 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.712 -6.815 -7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.453 -6.537 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.011 -4.784 -6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.612 -4.139 -8.448 1.00 0.00 H new ATOM 705 N TYR A 44 3.384 -5.947 -5.592 1.00 0.00 N ATOM 706 CA TYR A 44 2.801 -6.541 -4.415 1.00 0.00 C ATOM 707 C TYR A 44 3.938 -6.495 -3.396 1.00 0.00 C ATOM 708 O TYR A 44 5.108 -6.559 -3.776 1.00 0.00 O ATOM 709 CB TYR A 44 2.370 -8.038 -4.597 1.00 0.00 C ATOM 710 CG TYR A 44 1.155 -8.166 -5.508 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.111 -7.825 -5.042 1.00 0.00 C ATOM 712 CD2 TYR A 44 1.259 -8.577 -6.837 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.224 -7.917 -5.858 1.00 0.00 C ATOM 714 CE2 TYR A 44 0.151 -8.622 -7.661 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.091 -8.290 -7.174 1.00 0.00 C ATOM 716 OH TYR A 44 -2.205 -8.285 -8.037 1.00 0.00 O ATOM 0 H TYR A 44 4.401 -5.976 -5.516 1.00 0.00 H new ATOM 0 HA TYR A 44 1.891 -6.008 -4.139 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.200 -8.608 -5.015 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.143 -8.473 -3.624 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.227 -7.482 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.223 -8.865 -7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.203 -7.695 -5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.261 -8.920 -8.693 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.928 -8.576 -8.931 1.00 0.00 H new ATOM 726 N MET A 45 3.593 -6.386 -2.092 1.00 0.00 N ATOM 727 CA MET A 45 4.480 -6.385 -0.934 1.00 0.00 C ATOM 728 C MET A 45 3.692 -7.077 0.218 1.00 0.00 C ATOM 729 O MET A 45 2.528 -6.702 0.341 1.00 0.00 O ATOM 730 CB MET A 45 4.859 -4.931 -0.448 1.00 0.00 C ATOM 731 CG MET A 45 5.071 -3.773 -1.466 1.00 0.00 C ATOM 732 SD MET A 45 4.700 -2.129 -0.758 1.00 0.00 S ATOM 733 CE MET A 45 6.114 -1.977 0.370 1.00 0.00 C ATOM 0 H MET A 45 2.616 -6.290 -1.816 1.00 0.00 H new ATOM 0 HA MET A 45 5.408 -6.890 -1.203 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.077 -4.611 0.240 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.778 -5.018 0.132 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.103 -3.788 -1.816 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.437 -3.940 -2.336 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.107 -0.989 0.831 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.044 -2.740 1.146 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.041 -2.111 -0.188 1.00 0.00 H new ATOM 743 N PRO A 46 4.067 -8.019 1.122 1.00 0.00 N ATOM 744 CA PRO A 46 3.184 -8.476 2.230 1.00 0.00 C ATOM 745 C PRO A 46 3.064 -7.413 3.347 1.00 0.00 C ATOM 746 O PRO A 46 3.805 -6.429 3.317 1.00 0.00 O ATOM 747 CB PRO A 46 4.000 -9.678 2.773 1.00 0.00 C ATOM 748 CG PRO A 46 5.466 -9.255 2.582 1.00 0.00 C ATOM 749 CD PRO A 46 5.392 -8.645 1.172 1.00 0.00 C ATOM 0 HA PRO A 46 2.165 -8.691 1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.775 -9.871 3.822 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.775 -10.593 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.791 -8.533 3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.153 -10.100 2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.184 -7.914 1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.502 -9.408 0.401 1.00 0.00 H new ATOM 757 N ILE A 47 2.205 -7.596 4.407 1.00 0.00 N ATOM 758 CA ILE A 47 2.047 -6.680 5.577 1.00 0.00 C ATOM 759 C ILE A 47 3.393 -6.468 6.296 1.00 0.00 C ATOM 760 O ILE A 47 3.823 -5.322 6.461 1.00 0.00 O ATOM 761 CB ILE A 47 0.837 -6.906 6.514 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.411 -7.395 5.734 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.522 -5.588 7.270 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.718 -7.343 6.545 1.00 0.00 C ATOM 0 H ILE A 47 1.591 -8.408 4.465 1.00 0.00 H new ATOM 0 HA ILE A 47 1.746 -5.730 5.135 1.00 0.00 H new ATOM 0 HB ILE A 47 1.096 -7.688 7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.528 -6.786 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.241 -8.420 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.330 -5.743 7.932 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.389 -5.290 7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.285 -4.804 6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.543 -7.701 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.624 -7.975 7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.914 -6.316 6.853 1.00 0.00 H new ATOM 776 N PRO A 48 4.176 -7.505 6.693 1.00 0.00 N ATOM 777 CA PRO A 48 5.596 -7.452 6.950 1.00 0.00 C ATOM 778 C PRO A 48 6.536 -6.818 5.922 1.00 0.00 C ATOM 779 O PRO A 48 7.665 -6.646 6.312 1.00 0.00 O ATOM 780 CB PRO A 48 5.999 -8.540 7.960 1.00 0.00 C ATOM 781 CG PRO A 48 4.682 -9.328 8.107 1.00 0.00 C ATOM 782 CD PRO A 48 3.776 -8.888 6.922 1.00 0.00 C ATOM 0 HA PRO A 48 5.890 -6.546 7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.811 -9.165 7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.331 -8.117 8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.866 -10.402 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.204 -9.112 9.063 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.939 -9.506 6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.718 -8.965 7.174 1.00 0.00 H new ATOM 790 N HIS A 49 6.319 -6.484 4.598 1.00 0.00 N ATOM 791 CA HIS A 49 7.356 -5.652 3.884 1.00 0.00 C ATOM 792 C HIS A 49 7.519 -4.284 4.567 1.00 0.00 C ATOM 793 O HIS A 49 8.630 -3.905 4.919 1.00 0.00 O ATOM 794 CB HIS A 49 7.066 -5.269 2.390 1.00 0.00 C ATOM 795 CG HIS A 49 8.173 -4.528 1.573 1.00 0.00 C ATOM 796 ND1 HIS A 49 8.967 -3.494 2.058 1.00 0.00 N ATOM 797 CD2 HIS A 49 8.433 -4.547 0.230 1.00 0.00 C ATOM 798 CE1 HIS A 49 9.622 -2.933 1.022 1.00 0.00 C ATOM 799 NE2 HIS A 49 9.331 -3.542 -0.112 1.00 0.00 N ATOM 0 H HIS A 49 5.505 -6.753 4.044 1.00 0.00 H new ATOM 0 HA HIS A 49 8.223 -6.311 3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.821 -6.187 1.856 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.173 -4.644 2.377 1.00 0.00 H new ATOM 0 HD1 HIS A 49 9.041 -3.208 3.034 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.000 -5.247 -0.469 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.297 -2.094 1.109 1.00 0.00 H new ATOM 807 N VAL A 50 6.382 -3.595 4.851 1.00 0.00 N ATOM 808 CA VAL A 50 6.351 -2.375 5.662 1.00 0.00 C ATOM 809 C VAL A 50 6.498 -2.699 7.171 1.00 0.00 C ATOM 810 O VAL A 50 7.164 -1.934 7.862 1.00 0.00 O ATOM 811 CB VAL A 50 5.213 -1.414 5.306 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.549 0.020 5.757 1.00 0.00 C ATOM 813 CG2 VAL A 50 4.969 -1.391 3.779 1.00 0.00 C ATOM 0 H VAL A 50 5.462 -3.882 4.516 1.00 0.00 H new ATOM 0 HA VAL A 50 7.234 -1.792 5.398 1.00 0.00 H new ATOM 0 HB VAL A 50 4.319 -1.768 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.727 0.686 5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.698 0.036 6.837 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.460 0.354 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.156 -0.701 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.876 -1.064 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.703 -2.391 3.438 1.00 0.00 H new ATOM 823 N ARG A 51 5.976 -3.861 7.720 1.00 0.00 N ATOM 824 CA ARG A 51 6.255 -4.309 9.102 1.00 0.00 C ATOM 825 C ARG A 51 7.695 -4.832 9.347 1.00 0.00 C ATOM 826 O ARG A 51 8.210 -4.667 10.431 1.00 0.00 O ATOM 827 CB ARG A 51 5.224 -5.250 9.822 1.00 0.00 C ATOM 828 CG ARG A 51 3.720 -4.995 9.610 1.00 0.00 C ATOM 829 CD ARG A 51 2.838 -5.404 10.801 1.00 0.00 C ATOM 830 NE ARG A 51 2.824 -6.909 10.899 1.00 0.00 N ATOM 831 CZ ARG A 51 1.716 -7.693 10.708 1.00 0.00 C ATOM 832 NH1 ARG A 51 0.492 -7.147 10.454 1.00 0.00 N ATOM 833 NH2 ARG A 51 1.841 -9.052 10.776 1.00 0.00 N ATOM 0 H ARG A 51 5.360 -4.490 7.205 1.00 0.00 H new ATOM 0 HA ARG A 51 6.128 -3.341 9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.434 -6.273 9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.421 -5.199 10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.568 -3.935 9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.392 -5.540 8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.223 -4.969 11.723 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.825 -5.025 10.669 1.00 0.00 H new ATOM 0 HE ARG A 51 3.702 -7.377 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.386 -6.134 10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.317 -7.752 10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.751 -9.472 10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.024 -9.647 10.636 1.00 0.00 H new ATOM 847 N ASP A 52 8.458 -5.450 8.408 1.00 0.00 N ATOM 848 CA ASP A 52 9.891 -5.773 8.515 1.00 0.00 C ATOM 849 C ASP A 52 10.761 -4.530 8.302 1.00 0.00 C ATOM 850 O ASP A 52 11.821 -4.412 8.894 1.00 0.00 O ATOM 851 CB ASP A 52 10.304 -6.895 7.494 1.00 0.00 C ATOM 852 CG ASP A 52 11.670 -7.579 7.683 1.00 0.00 C ATOM 853 OD1 ASP A 52 12.723 -6.909 7.516 1.00 0.00 O ATOM 854 OD2 ASP A 52 11.663 -8.810 7.952 1.00 0.00 O ATOM 0 H ASP A 52 8.064 -5.748 7.515 1.00 0.00 H new ATOM 0 HA ASP A 52 10.058 -6.145 9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.537 -7.669 7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.284 -6.460 6.495 1.00 0.00 H new ATOM 859 N SER A 53 10.339 -3.533 7.474 1.00 0.00 N ATOM 860 CA SER A 53 11.083 -2.341 7.063 1.00 0.00 C ATOM 861 C SER A 53 11.628 -1.377 8.099 1.00 0.00 C ATOM 862 O SER A 53 12.515 -0.587 7.788 1.00 0.00 O ATOM 863 CB SER A 53 10.294 -1.493 6.062 1.00 0.00 C ATOM 864 OG SER A 53 10.321 -2.083 4.764 1.00 0.00 O ATOM 0 H SER A 53 9.408 -3.557 7.057 1.00 0.00 H new ATOM 0 HA SER A 53 11.962 -2.838 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.262 -1.392 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.715 -0.489 6.018 1.00 0.00 H new ATOM 0 HG SER A 53 10.049 -3.022 4.826 1.00 0.00 H new ATOM 870 N LEU A 54 11.139 -1.422 9.362 1.00 0.00 N ATOM 871 CA LEU A 54 11.613 -0.666 10.507 1.00 0.00 C ATOM 872 C LEU A 54 13.011 -1.145 10.949 1.00 0.00 C ATOM 873 O LEU A 54 13.748 -0.390 11.577 1.00 0.00 O ATOM 874 CB LEU A 54 10.593 -0.703 11.723 1.00 0.00 C ATOM 875 CG LEU A 54 9.758 -1.989 12.053 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.315 -1.995 11.546 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.435 -3.333 11.892 1.00 0.00 C ATOM 0 H LEU A 54 10.356 -2.029 9.605 1.00 0.00 H new ATOM 0 HA LEU A 54 11.689 0.373 10.186 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.160 -0.455 12.620 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.880 0.106 11.563 1.00 0.00 H new ATOM 0 HG LEU A 54 9.698 -1.869 13.135 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.833 -2.930 11.830 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.771 -1.159 11.986 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.310 -1.900 10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.736 -4.127 12.156 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.753 -3.459 10.857 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.305 -3.383 12.547 1.00 0.00 H new ATOM 889 N ILE A 55 13.355 -2.423 10.617 1.00 0.00 N ATOM 890 CA ILE A 55 14.645 -3.088 10.944 1.00 0.00 C ATOM 891 C ILE A 55 14.947 -4.248 9.972 1.00 0.00 C ATOM 892 O ILE A 55 14.177 -5.190 9.850 1.00 0.00 O ATOM 893 CB ILE A 55 14.752 -3.606 12.403 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.787 -2.555 13.533 1.00 0.00 C ATOM 895 CG2 ILE A 55 15.963 -4.524 12.686 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.503 -2.610 14.346 1.00 0.00 C ATOM 0 H ILE A 55 12.722 -3.033 10.100 1.00 0.00 H new ATOM 0 HA ILE A 55 15.389 -2.299 10.832 1.00 0.00 H new ATOM 0 HB ILE A 55 13.806 -4.146 12.435 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.644 -2.737 14.182 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.914 -1.559 13.109 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.949 -4.833 13.731 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.909 -5.405 12.047 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.886 -3.982 12.480 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.542 -1.863 15.139 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.652 -2.405 13.696 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.393 -3.601 14.786 1.00 0.00 H new ATOM 908 N GLN A 56 16.124 -4.292 9.306 1.00 0.00 N ATOM 909 CA GLN A 56 16.540 -5.363 8.375 1.00 0.00 C ATOM 910 C GLN A 56 16.931 -6.802 8.874 1.00 0.00 C ATOM 911 O GLN A 56 16.473 -7.733 8.214 1.00 0.00 O ATOM 912 CB GLN A 56 17.618 -4.829 7.377 1.00 0.00 C ATOM 913 CG GLN A 56 17.069 -3.948 6.218 1.00 0.00 C ATOM 914 CD GLN A 56 16.825 -2.465 6.536 1.00 0.00 C ATOM 915 OE1 GLN A 56 17.624 -1.606 6.149 1.00 0.00 O ATOM 916 NE2 GLN A 56 15.685 -2.146 7.207 1.00 0.00 N ATOM 0 H GLN A 56 16.829 -3.562 9.405 1.00 0.00 H new ATOM 0 HA GLN A 56 15.574 -5.585 7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.352 -4.249 7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.145 -5.680 6.947 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.769 -4.007 5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.129 -4.382 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.049 -2.883 7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.467 -1.170 7.406 1.00 0.00 H new ATOM 925 N PRO A 57 17.766 -7.090 9.903 1.00 0.00 N ATOM 926 CA PRO A 57 18.297 -8.439 10.225 1.00 0.00 C ATOM 927 C PRO A 57 17.391 -9.346 11.097 1.00 0.00 C ATOM 928 O PRO A 57 16.243 -9.607 10.769 1.00 0.00 O ATOM 929 CB PRO A 57 19.580 -8.049 10.992 1.00 0.00 C ATOM 930 CG PRO A 57 19.101 -6.836 11.787 1.00 0.00 C ATOM 931 CD PRO A 57 18.464 -6.049 10.648 1.00 0.00 C ATOM 0 HA PRO A 57 18.415 -9.051 9.331 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.931 -8.852 11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.401 -7.801 10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.388 -7.098 12.569 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.917 -6.297 12.268 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.780 -5.284 11.015 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.211 -5.542 10.036 1.00 0.00 H new ATOM 939 N HIS A 58 17.930 -9.876 12.234 1.00 0.00 N ATOM 940 CA HIS A 58 17.334 -10.797 13.209 1.00 0.00 C ATOM 941 C HIS A 58 16.327 -10.180 14.189 1.00 0.00 C ATOM 942 O HIS A 58 15.421 -10.840 14.687 1.00 0.00 O ATOM 943 CB HIS A 58 18.437 -11.552 14.005 1.00 0.00 C ATOM 944 CG HIS A 58 19.534 -12.107 13.123 1.00 0.00 C ATOM 945 ND1 HIS A 58 20.771 -11.513 12.960 1.00 0.00 N ATOM 946 CD2 HIS A 58 19.566 -13.233 12.355 1.00 0.00 C ATOM 947 CE1 HIS A 58 21.477 -12.300 12.108 1.00 0.00 C ATOM 948 NE2 HIS A 58 20.791 -13.354 11.719 1.00 0.00 N ATOM 0 H HIS A 58 18.884 -9.637 12.503 1.00 0.00 H new ATOM 0 HA HIS A 58 16.754 -11.485 12.594 1.00 0.00 H new ATOM 0 HB2 HIS A 58 18.876 -10.874 14.737 1.00 0.00 H new ATOM 0 HB3 HIS A 58 17.979 -12.369 14.562 1.00 0.00 H new ATOM 0 HD2 HIS A 58 18.750 -13.933 12.256 1.00 0.00 H new ATOM 0 HE1 HIS A 58 22.486 -12.086 11.786 1.00 0.00 H new ATOM 0 HE2 HIS A 58 21.094 -14.096 11.088 1.00 0.00 H new ATOM 956 N ASP A 59 16.472 -8.864 14.490 1.00 0.00 N ATOM 957 CA ASP A 59 15.683 -8.009 15.357 1.00 0.00 C ATOM 958 C ASP A 59 14.577 -7.325 14.580 1.00 0.00 C ATOM 959 O ASP A 59 13.927 -6.421 15.091 1.00 0.00 O ATOM 960 CB ASP A 59 16.556 -6.930 16.057 1.00 0.00 C ATOM 961 CG ASP A 59 17.617 -7.612 16.924 1.00 0.00 C ATOM 962 OD1 ASP A 59 17.226 -8.309 17.899 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.830 -7.444 16.624 1.00 0.00 O ATOM 0 H ASP A 59 17.238 -8.335 14.073 1.00 0.00 H new ATOM 0 HA ASP A 59 15.248 -8.653 16.121 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.034 -6.295 15.311 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.930 -6.284 16.672 1.00 0.00 H new ATOM 968 N ARG A 60 14.366 -7.711 13.283 1.00 0.00 N ATOM 969 CA ARG A 60 13.460 -7.169 12.266 1.00 0.00 C ATOM 970 C ARG A 60 12.065 -6.886 12.715 1.00 0.00 C ATOM 971 O ARG A 60 11.561 -5.790 12.575 1.00 0.00 O ATOM 972 CB ARG A 60 13.414 -7.993 10.945 1.00 0.00 C ATOM 973 CG ARG A 60 12.753 -9.387 10.891 1.00 0.00 C ATOM 974 CD ARG A 60 13.215 -10.297 12.023 1.00 0.00 C ATOM 975 NE ARG A 60 12.833 -11.723 11.735 1.00 0.00 N ATOM 976 CZ ARG A 60 12.570 -12.648 12.709 1.00 0.00 C ATOM 977 NH1 ARG A 60 12.616 -12.314 14.031 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.255 -13.927 12.348 1.00 0.00 N ATOM 0 H ARG A 60 14.894 -8.497 12.902 1.00 0.00 H new ATOM 0 HA ARG A 60 13.930 -6.206 12.067 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.911 -7.374 10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.444 -8.117 10.612 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.670 -9.274 10.939 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.982 -9.857 9.935 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.296 -10.220 12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.766 -9.976 12.963 1.00 0.00 H new ATOM 0 HE ARG A 60 12.766 -12.017 10.761 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.850 -11.361 14.308 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.417 -13.018 14.742 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.218 -14.184 11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.057 -14.625 13.065 1.00 0.00 H new ATOM 992 N LYS A 61 11.429 -7.879 13.346 1.00 0.00 N ATOM 993 CA LYS A 61 10.147 -7.844 13.986 1.00 0.00 C ATOM 994 C LYS A 61 10.038 -7.054 15.273 1.00 0.00 C ATOM 995 O LYS A 61 8.959 -6.634 15.670 1.00 0.00 O ATOM 996 CB LYS A 61 9.298 -9.105 13.745 1.00 0.00 C ATOM 997 CG LYS A 61 8.153 -9.437 14.737 1.00 0.00 C ATOM 998 CD LYS A 61 8.596 -10.035 16.083 1.00 0.00 C ATOM 999 CE LYS A 61 7.406 -10.404 16.980 1.00 0.00 C ATOM 1000 NZ LYS A 61 7.864 -10.935 18.284 1.00 0.00 N ATOM 0 H LYS A 61 11.853 -8.804 13.418 1.00 0.00 H new ATOM 0 HA LYS A 61 9.542 -7.125 13.434 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.859 -9.022 12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.975 -9.959 13.725 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.589 -8.525 14.932 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.470 -10.137 14.255 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.200 -10.924 15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.232 -9.319 16.604 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.782 -9.525 17.141 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.786 -11.147 16.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.039 -11.176 18.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.440 -11.787 18.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.436 -10.215 18.771 1.00 0.00 H new ATOM 1014 N LYS A 62 11.126 -6.839 16.039 1.00 0.00 N ATOM 1015 CA LYS A 62 11.123 -6.113 17.308 1.00 0.00 C ATOM 1016 C LYS A 62 10.549 -4.677 17.374 1.00 0.00 C ATOM 1017 O LYS A 62 10.131 -4.224 18.435 1.00 0.00 O ATOM 1018 CB LYS A 62 12.530 -6.278 17.957 1.00 0.00 C ATOM 1019 CG LYS A 62 12.644 -5.668 19.361 1.00 0.00 C ATOM 1020 CD LYS A 62 13.430 -4.345 19.470 1.00 0.00 C ATOM 1021 CE LYS A 62 14.913 -4.422 19.066 1.00 0.00 C ATOM 1022 NZ LYS A 62 15.653 -5.416 19.877 1.00 0.00 N ATOM 0 H LYS A 62 12.052 -7.178 15.778 1.00 0.00 H new ATOM 0 HA LYS A 62 10.344 -6.587 17.904 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.771 -7.340 18.012 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.274 -5.815 17.309 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.637 -5.500 19.744 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.116 -6.401 20.015 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.939 -3.598 18.846 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.369 -3.990 20.499 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.989 -4.685 18.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.373 -3.441 19.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.655 -5.414 19.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.573 -5.171 20.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.251 -6.362 19.718 1.00 0.00 H new ATOM 1036 N MET A 63 10.406 -3.964 16.238 1.00 0.00 N ATOM 1037 CA MET A 63 9.622 -2.738 16.208 1.00 0.00 C ATOM 1038 C MET A 63 8.396 -2.929 15.321 1.00 0.00 C ATOM 1039 O MET A 63 7.649 -1.973 15.129 1.00 0.00 O ATOM 1040 CB MET A 63 10.399 -1.428 15.899 1.00 0.00 C ATOM 1041 CG MET A 63 11.287 -0.917 17.057 1.00 0.00 C ATOM 1042 SD MET A 63 11.617 0.878 16.970 1.00 0.00 S ATOM 1043 CE MET A 63 12.332 0.984 15.301 1.00 0.00 C ATOM 0 H MET A 63 10.823 -4.223 15.344 1.00 0.00 H new ATOM 0 HA MET A 63 9.304 -2.569 17.237 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.026 -1.591 15.023 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.682 -0.649 15.637 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.803 -1.146 18.006 1.00 0.00 H new ATOM 0 HG3 MET A 63 12.235 -1.455 17.045 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.626 2.013 15.096 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.207 0.338 15.238 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.592 0.665 14.567 1.00 0.00 H new ATOM 1053 N LYS A 64 8.085 -4.169 14.789 1.00 0.00 N ATOM 1054 CA LYS A 64 6.885 -4.490 13.994 1.00 0.00 C ATOM 1055 C LYS A 64 5.649 -4.506 14.882 1.00 0.00 C ATOM 1056 O LYS A 64 4.566 -4.067 14.500 1.00 0.00 O ATOM 1057 CB LYS A 64 7.043 -5.831 13.204 1.00 0.00 C ATOM 1058 CG LYS A 64 5.874 -6.828 13.252 1.00 0.00 C ATOM 1059 CD LYS A 64 5.959 -7.989 12.255 1.00 0.00 C ATOM 1060 CE LYS A 64 5.038 -9.155 12.638 1.00 0.00 C ATOM 1061 NZ LYS A 64 5.124 -10.249 11.645 1.00 0.00 N ATOM 0 H LYS A 64 8.694 -4.977 14.919 1.00 0.00 H new ATOM 0 HA LYS A 64 6.761 -3.705 13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.232 -5.585 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.932 -6.338 13.578 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.811 -7.240 14.259 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.947 -6.284 13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.693 -7.631 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.988 -8.344 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.313 -9.531 13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.009 -8.802 12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.204 -10.730 11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.378 -9.856 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.850 -10.931 11.942 1.00 0.00 H new ATOM 1075 N LYS A 65 5.844 -4.979 16.143 1.00 0.00 N ATOM 1076 CA LYS A 65 4.861 -5.036 17.230 1.00 0.00 C ATOM 1077 C LYS A 65 4.261 -3.654 17.644 1.00 0.00 C ATOM 1078 O LYS A 65 3.053 -3.491 17.810 1.00 0.00 O ATOM 1079 CB LYS A 65 5.517 -5.762 18.433 1.00 0.00 C ATOM 1080 CG LYS A 65 4.561 -6.260 19.531 1.00 0.00 C ATOM 1081 CD LYS A 65 5.304 -6.959 20.687 1.00 0.00 C ATOM 1082 CE LYS A 65 5.957 -8.294 20.291 1.00 0.00 C ATOM 1083 NZ LYS A 65 6.616 -8.929 21.456 1.00 0.00 N ATOM 0 H LYS A 65 6.749 -5.350 16.432 1.00 0.00 H new ATOM 0 HA LYS A 65 3.997 -5.591 16.865 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.077 -6.617 18.053 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.239 -5.085 18.889 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.994 -5.416 19.925 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.841 -6.952 19.095 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.074 -6.289 21.069 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.602 -7.137 21.502 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.201 -8.966 19.885 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.690 -8.125 19.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.049 -9.828 21.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.352 -8.295 21.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.910 -9.111 22.198 1.00 0.00 H new ATOM 1097 N VAL A 66 5.131 -2.590 17.722 1.00 0.00 N ATOM 1098 CA VAL A 66 4.772 -1.164 17.895 1.00 0.00 C ATOM 1099 C VAL A 66 4.251 -0.537 16.599 1.00 0.00 C ATOM 1100 O VAL A 66 3.394 0.344 16.621 1.00 0.00 O ATOM 1101 CB VAL A 66 5.739 -0.262 18.677 1.00 0.00 C ATOM 1102 CG1 VAL A 66 7.167 -0.298 18.096 1.00 0.00 C ATOM 1103 CG2 VAL A 66 5.151 1.176 18.854 1.00 0.00 C ATOM 0 H VAL A 66 6.140 -2.725 17.662 1.00 0.00 H new ATOM 0 HA VAL A 66 3.944 -1.216 18.602 1.00 0.00 H new ATOM 0 HB VAL A 66 5.843 -0.665 19.684 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.815 0.355 18.681 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.550 -1.318 18.134 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.147 0.044 17.061 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.857 1.792 19.411 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.976 1.621 17.874 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.209 1.119 19.400 1.00 0.00 H new ATOM 1113 N TRP A 67 4.713 -0.974 15.396 1.00 0.00 N ATOM 1114 CA TRP A 67 4.202 -0.555 14.077 1.00 0.00 C ATOM 1115 C TRP A 67 2.716 -0.884 13.868 1.00 0.00 C ATOM 1116 O TRP A 67 1.989 -0.073 13.317 1.00 0.00 O ATOM 1117 CB TRP A 67 5.108 -1.021 12.907 1.00 0.00 C ATOM 1118 CG TRP A 67 4.610 -0.788 11.482 1.00 0.00 C ATOM 1119 CD1 TRP A 67 4.237 -1.797 10.665 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.188 0.428 10.829 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.661 -1.318 9.516 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.611 0.052 9.610 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.228 1.739 11.221 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.063 0.973 8.774 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.640 2.664 10.386 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.072 2.289 9.184 1.00 0.00 C ATOM 0 H TRP A 67 5.475 -1.648 15.324 1.00 0.00 H new ATOM 0 HA TRP A 67 4.252 0.534 14.072 1.00 0.00 H new ATOM 0 HB2 TRP A 67 6.071 -0.522 13.011 1.00 0.00 H new ATOM 0 HB3 TRP A 67 5.288 -2.089 13.028 1.00 0.00 H new ATOM 0 HD1 TRP A 67 4.374 -2.845 10.888 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.329 -1.879 8.731 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.700 2.036 12.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.637 0.685 7.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.623 3.704 10.677 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.626 3.043 8.552 1.00 0.00 H new ATOM 1137 N ASP A 68 2.212 -2.016 14.439 1.00 0.00 N ATOM 1138 CA ASP A 68 0.780 -2.364 14.552 1.00 0.00 C ATOM 1139 C ASP A 68 -0.094 -1.282 15.248 1.00 0.00 C ATOM 1140 O ASP A 68 -1.205 -0.979 14.827 1.00 0.00 O ATOM 1141 CB ASP A 68 0.611 -3.685 15.354 1.00 0.00 C ATOM 1142 CG ASP A 68 1.263 -4.857 14.616 1.00 0.00 C ATOM 1143 OD1 ASP A 68 0.890 -5.086 13.433 1.00 0.00 O ATOM 1144 OD2 ASP A 68 2.115 -5.552 15.226 1.00 0.00 O ATOM 0 H ASP A 68 2.819 -2.729 14.844 1.00 0.00 H new ATOM 0 HA ASP A 68 0.434 -2.458 13.523 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.060 -3.576 16.341 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.449 -3.890 15.507 1.00 0.00 H new ATOM 1149 N ARG A 69 0.475 -0.637 16.306 1.00 0.00 N ATOM 1150 CA ARG A 69 0.027 0.547 17.044 1.00 0.00 C ATOM 1151 C ARG A 69 0.284 1.884 16.302 1.00 0.00 C ATOM 1152 O ARG A 69 -0.610 2.721 16.175 1.00 0.00 O ATOM 1153 CB ARG A 69 0.678 0.457 18.456 1.00 0.00 C ATOM 1154 CG ARG A 69 0.365 1.533 19.509 1.00 0.00 C ATOM 1155 CD ARG A 69 1.253 2.790 19.425 1.00 0.00 C ATOM 1156 NE ARG A 69 1.135 3.530 20.733 1.00 0.00 N ATOM 1157 CZ ARG A 69 2.160 4.222 21.324 1.00 0.00 C ATOM 1158 NH1 ARG A 69 3.399 4.279 20.757 1.00 0.00 N ATOM 1159 NH2 ARG A 69 1.926 4.880 22.499 1.00 0.00 N ATOM 0 H ARG A 69 1.353 -0.984 16.692 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.059 0.551 17.136 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.399 -0.507 18.882 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.759 0.443 18.316 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.678 1.833 19.404 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.472 1.094 20.501 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.290 2.512 19.236 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.937 3.425 18.598 1.00 0.00 H new ATOM 0 HE ARG A 69 0.233 3.515 21.209 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.578 3.800 19.874 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.146 4.800 21.216 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.999 4.852 22.924 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.678 5.399 22.951 1.00 0.00 H new ATOM 1173 N ALA A 70 1.518 2.113 15.742 1.00 0.00 N ATOM 1174 CA ALA A 70 1.974 3.259 14.938 1.00 0.00 C ATOM 1175 C ALA A 70 1.199 3.474 13.615 1.00 0.00 C ATOM 1176 O ALA A 70 0.977 4.602 13.164 1.00 0.00 O ATOM 1177 CB ALA A 70 3.492 3.250 14.747 1.00 0.00 C ATOM 0 H ALA A 70 2.268 1.433 15.863 1.00 0.00 H new ATOM 0 HA ALA A 70 1.726 4.140 15.530 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.789 4.111 14.149 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.981 3.298 15.720 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.789 2.334 14.236 1.00 0.00 H new ATOM 1183 N VAL A 71 0.712 2.329 13.026 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.263 2.162 11.926 1.00 0.00 C ATOM 1185 C VAL A 71 -1.589 2.859 12.210 1.00 0.00 C ATOM 1186 O VAL A 71 -2.207 3.383 11.289 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.539 0.675 11.596 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.856 0.357 10.848 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.579 0.194 10.676 1.00 0.00 C ATOM 0 H VAL A 71 1.035 1.419 13.354 1.00 0.00 H new ATOM 0 HA VAL A 71 0.206 2.633 11.062 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.606 0.186 12.568 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.928 -0.717 10.678 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.704 0.687 11.448 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.865 0.877 9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.416 -0.853 10.422 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.583 0.792 9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.538 0.300 11.183 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.035 2.930 13.506 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.242 3.621 13.977 1.00 0.00 C ATOM 1201 C ASP A 72 -3.147 5.158 13.841 1.00 0.00 C ATOM 1202 O ASP A 72 -4.132 5.801 13.500 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.730 3.052 15.344 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.176 3.442 15.682 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.076 3.128 14.857 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.402 4.045 16.763 1.00 0.00 O ATOM 0 H ASP A 72 -1.527 2.482 14.269 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.066 3.392 13.301 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.648 1.965 15.327 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.070 3.409 16.135 1.00 0.00 H new ATOM 1211 N PHE A 73 -1.922 5.767 13.937 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.665 7.120 13.393 1.00 0.00 C ATOM 1213 C PHE A 73 -1.518 7.135 11.839 1.00 0.00 C ATOM 1214 O PHE A 73 -2.276 7.850 11.182 1.00 0.00 O ATOM 1215 CB PHE A 73 -0.356 7.769 13.986 1.00 0.00 C ATOM 1216 CG PHE A 73 0.100 9.055 13.290 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -0.780 10.102 13.059 1.00 0.00 C ATOM 1218 CD2 PHE A 73 1.358 9.106 12.718 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -0.407 11.177 12.277 1.00 0.00 C ATOM 1220 CE2 PHE A 73 1.736 10.182 11.939 1.00 0.00 C ATOM 1221 CZ PHE A 73 0.854 11.222 11.717 1.00 0.00 C ATOM 0 H PHE A 73 -1.112 5.337 14.384 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.542 7.696 13.688 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.521 7.984 15.042 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.451 7.038 13.932 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.768 10.076 13.496 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.053 8.295 12.882 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.103 11.984 12.103 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.723 10.210 11.502 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.149 12.065 11.109 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.543 6.388 11.196 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.264 6.503 9.722 1.00 0.00 C ATOM 1233 C LEU A 74 -1.423 6.195 8.769 1.00 0.00 C ATOM 1234 O LEU A 74 -1.615 6.907 7.786 1.00 0.00 O ATOM 1235 CB LEU A 74 1.017 5.743 9.227 1.00 0.00 C ATOM 1236 CG LEU A 74 1.730 6.498 8.062 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.645 7.614 8.596 1.00 0.00 C ATOM 1238 CD2 LEU A 74 2.541 5.610 7.100 1.00 0.00 C ATOM 0 H LEU A 74 0.051 5.711 11.676 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.086 7.577 9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.711 5.622 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.740 4.743 8.895 1.00 0.00 H new ATOM 0 HG LEU A 74 0.907 6.913 7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.127 8.121 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.051 8.332 9.162 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.406 7.181 9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.996 6.231 6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.322 5.091 7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.880 4.879 6.635 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.277 5.178 9.092 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.502 4.848 8.380 1.00 0.00 C ATOM 1252 C ALA A 75 -4.621 5.922 8.367 1.00 0.00 C ATOM 1253 O ALA A 75 -5.562 5.811 7.590 1.00 0.00 O ATOM 1254 CB ALA A 75 -4.010 3.480 8.879 1.00 0.00 C ATOM 0 H ALA A 75 -2.105 4.559 9.884 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.228 4.806 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.929 3.219 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.254 2.719 8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.207 3.534 9.950 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.541 7.005 9.208 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.476 8.119 9.248 1.00 0.00 C ATOM 1262 C ALA A 76 -5.153 9.265 8.262 1.00 0.00 C ATOM 1263 O ALA A 76 -6.007 10.104 7.984 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.531 8.660 10.696 1.00 0.00 C ATOM 0 H ALA A 76 -3.788 7.103 9.889 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.444 7.733 8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.228 9.497 10.746 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.865 7.869 11.367 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.539 8.996 10.997 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.911 9.339 7.714 1.00 0.00 N ATOM 1271 CA ASN A 77 -3.492 10.402 6.806 1.00 0.00 C ATOM 1272 C ASN A 77 -2.347 9.920 5.914 1.00 0.00 C ATOM 1273 O ASN A 77 -1.254 9.658 6.413 1.00 0.00 O ATOM 1274 CB ASN A 77 -3.148 11.751 7.547 1.00 0.00 C ATOM 1275 CG ASN A 77 -2.368 11.614 8.870 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -2.781 12.150 9.901 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -1.216 10.897 8.850 1.00 0.00 N ATOM 0 H ASN A 77 -3.180 8.652 7.901 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.344 10.638 6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.568 12.377 6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.080 12.279 7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.667 10.790 9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.899 10.465 7.982 1.00 0.00 H new ATOM 1284 N GLU A 78 -2.601 9.828 4.575 1.00 0.00 N ATOM 1285 CA GLU A 78 -1.698 9.414 3.495 1.00 0.00 C ATOM 1286 C GLU A 78 -1.791 7.922 3.181 1.00 0.00 C ATOM 1287 O GLU A 78 -1.128 7.084 3.788 1.00 0.00 O ATOM 1288 CB GLU A 78 -0.203 9.855 3.591 1.00 0.00 C ATOM 1289 CG GLU A 78 -0.016 11.386 3.603 1.00 0.00 C ATOM 1290 CD GLU A 78 1.450 11.730 3.868 1.00 0.00 C ATOM 1291 OE1 GLU A 78 2.311 11.362 3.025 1.00 0.00 O ATOM 1292 OE2 GLU A 78 1.728 12.368 4.919 1.00 0.00 O ATOM 0 H GLU A 78 -3.523 10.065 4.210 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.094 9.994 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.234 9.436 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.347 9.436 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.330 11.807 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.648 11.832 4.371 1.00 0.00 H new ATOM 1299 N SER A 79 -2.619 7.571 2.162 1.00 0.00 N ATOM 1300 CA SER A 79 -2.871 6.230 1.644 1.00 0.00 C ATOM 1301 C SER A 79 -2.070 5.966 0.365 1.00 0.00 C ATOM 1302 O SER A 79 -2.623 5.603 -0.675 1.00 0.00 O ATOM 1303 CB SER A 79 -4.395 6.065 1.371 1.00 0.00 C ATOM 1304 OG SER A 79 -4.890 7.063 0.469 1.00 0.00 O ATOM 0 H SER A 79 -3.157 8.276 1.657 1.00 0.00 H new ATOM 0 HA SER A 79 -2.549 5.502 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.584 5.075 0.956 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.941 6.125 2.313 1.00 0.00 H new ATOM 0 HG SER A 79 -4.446 6.968 -0.400 1.00 0.00 H new ATOM 1310 N ARG A 80 -0.727 6.155 0.438 1.00 0.00 N ATOM 1311 CA ARG A 80 0.232 6.052 -0.658 1.00 0.00 C ATOM 1312 C ARG A 80 0.699 4.641 -0.995 1.00 0.00 C ATOM 1313 O ARG A 80 1.622 4.487 -1.782 1.00 0.00 O ATOM 1314 CB ARG A 80 1.460 6.969 -0.376 1.00 0.00 C ATOM 1315 CG ARG A 80 1.085 8.458 -0.228 1.00 0.00 C ATOM 1316 CD ARG A 80 2.233 9.328 0.309 1.00 0.00 C ATOM 1317 NE ARG A 80 3.307 9.467 -0.736 1.00 0.00 N ATOM 1318 CZ ARG A 80 4.493 10.111 -0.495 1.00 0.00 C ATOM 1319 NH1 ARG A 80 4.830 10.514 0.765 1.00 0.00 N ATOM 1320 NH2 ARG A 80 5.346 10.360 -1.531 1.00 0.00 N ATOM 0 H ARG A 80 -0.274 6.396 1.319 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.312 6.384 -1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.954 6.633 0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.180 6.861 -1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.770 8.844 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.230 8.544 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.855 10.312 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.648 8.880 1.212 1.00 0.00 H new ATOM 0 HE ARG A 80 3.146 9.066 -1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.196 10.337 1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.716 10.992 0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.099 10.067 -2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.230 10.839 -1.360 1.00 0.00 H new ATOM 1334 N VAL A 81 0.040 3.599 -0.430 1.00 0.00 N ATOM 1335 CA VAL A 81 0.195 2.175 -0.707 1.00 0.00 C ATOM 1336 C VAL A 81 -1.161 1.608 -0.285 1.00 0.00 C ATOM 1337 O VAL A 81 -1.723 2.057 0.713 1.00 0.00 O ATOM 1338 CB VAL A 81 1.477 1.567 -0.136 1.00 0.00 C ATOM 1339 CG1 VAL A 81 1.287 0.127 0.373 1.00 0.00 C ATOM 1340 CG2 VAL A 81 2.553 1.558 -1.256 1.00 0.00 C ATOM 0 H VAL A 81 -0.667 3.761 0.287 1.00 0.00 H new ATOM 0 HA VAL A 81 0.387 1.917 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 81 1.777 2.175 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.232 -0.248 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.536 0.116 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.958 -0.509 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.477 1.128 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.198 0.961 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.740 2.579 -1.589 1.00 0.00 H new ATOM 1350 N ARG A 82 -1.781 0.676 -1.076 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.152 0.208 -0.864 1.00 0.00 C ATOM 1352 C ARG A 82 -3.256 -1.249 -0.485 1.00 0.00 C ATOM 1353 O ARG A 82 -2.385 -2.048 -0.825 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.059 0.532 -2.079 1.00 0.00 C ATOM 1355 CG ARG A 82 -3.818 -0.197 -3.411 1.00 0.00 C ATOM 1356 CD ARG A 82 -4.372 -1.619 -3.612 1.00 0.00 C ATOM 1357 NE ARG A 82 -5.820 -1.672 -3.190 1.00 0.00 N ATOM 1358 CZ ARG A 82 -6.868 -1.991 -4.013 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -6.678 -2.248 -5.339 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -8.127 -2.061 -3.489 1.00 0.00 N ATOM 0 H ARG A 82 -1.324 0.239 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.513 0.766 0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.089 0.338 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.980 1.602 -2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.229 0.428 -4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.740 -0.242 -3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.278 -1.910 -4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.788 -2.332 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.035 -1.454 -2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.740 -2.205 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.474 -2.483 -5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.278 -1.877 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.917 -2.297 -4.089 1.00 0.00 H new ATOM 1374 N THR A 83 -4.366 -1.610 0.217 1.00 0.00 N ATOM 1375 CA THR A 83 -4.672 -2.954 0.731 1.00 0.00 C ATOM 1376 C THR A 83 -5.665 -3.669 -0.161 1.00 0.00 C ATOM 1377 O THR A 83 -6.816 -3.256 -0.298 1.00 0.00 O ATOM 1378 CB THR A 83 -5.266 -3.026 2.154 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.579 -2.171 3.053 1.00 0.00 O ATOM 1380 CG2 THR A 83 -5.128 -4.458 2.716 1.00 0.00 C ATOM 0 H THR A 83 -5.096 -0.935 0.444 1.00 0.00 H new ATOM 0 HA THR A 83 -3.687 -3.421 0.751 1.00 0.00 H new ATOM 0 HB THR A 83 -6.310 -2.724 2.071 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.615 -2.224 2.883 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.550 -4.497 3.720 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.662 -5.155 2.070 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.074 -4.734 2.755 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.256 -4.803 -0.761 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.102 -5.618 -1.604 1.00 0.00 C ATOM 1390 C GLU A 84 -6.143 -7.001 -0.996 1.00 0.00 C ATOM 1391 O GLU A 84 -5.165 -7.429 -0.380 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.518 -5.638 -3.048 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.438 -6.296 -4.094 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.822 -6.151 -5.485 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -4.749 -6.768 -5.724 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -6.418 -5.430 -6.329 1.00 0.00 O ATOM 0 H GLU A 84 -4.310 -5.171 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.116 -5.222 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.310 -4.614 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.565 -6.167 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.579 -7.350 -3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.423 -5.829 -4.071 1.00 0.00 H new ATOM 1403 N THR A 85 -7.269 -7.749 -1.188 1.00 0.00 N ATOM 1404 CA THR A 85 -7.399 -9.158 -0.816 1.00 0.00 C ATOM 1405 C THR A 85 -7.049 -9.898 -2.108 1.00 0.00 C ATOM 1406 O THR A 85 -7.795 -9.825 -3.086 1.00 0.00 O ATOM 1407 CB THR A 85 -8.816 -9.518 -0.350 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.306 -8.554 0.573 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.787 -10.857 0.396 1.00 0.00 C ATOM 0 H THR A 85 -8.114 -7.368 -1.613 1.00 0.00 H new ATOM 0 HA THR A 85 -6.757 -9.417 0.026 1.00 0.00 H new ATOM 0 HB THR A 85 -9.451 -9.560 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.211 -8.802 0.856 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.794 -11.111 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.416 -11.636 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.130 -10.777 1.262 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.886 -10.594 -2.180 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.423 -11.103 -3.467 1.00 0.00 C ATOM 1419 C ARG A 86 -4.608 -12.362 -3.284 1.00 0.00 C ATOM 1420 O ARG A 86 -3.910 -12.533 -2.282 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.575 -9.999 -4.182 1.00 0.00 C ATOM 1422 CG ARG A 86 -4.145 -10.278 -5.638 1.00 0.00 C ATOM 1423 CD ARG A 86 -5.329 -10.436 -6.608 1.00 0.00 C ATOM 1424 NE ARG A 86 -4.800 -10.593 -8.010 1.00 0.00 N ATOM 1425 CZ ARG A 86 -4.451 -11.794 -8.569 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -4.603 -12.964 -7.883 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -3.944 -11.818 -9.836 1.00 0.00 N ATOM 0 H ARG A 86 -5.281 -10.803 -1.386 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.286 -11.353 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.147 -9.071 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.676 -9.827 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.509 -9.463 -5.983 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.542 -11.185 -5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.928 -11.304 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.983 -9.566 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.695 -9.753 -8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.983 -12.955 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.337 -13.848 -8.317 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.829 -10.948 -10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.680 -12.706 -10.263 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.675 -13.297 -4.280 1.00 0.00 N ATOM 1442 CA ARG A 87 -3.956 -14.566 -4.314 1.00 0.00 C ATOM 1443 C ARG A 87 -2.499 -14.418 -4.784 1.00 0.00 C ATOM 1444 O ARG A 87 -2.234 -14.012 -5.914 1.00 0.00 O ATOM 1445 CB ARG A 87 -4.682 -15.629 -5.177 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.221 -17.075 -4.886 1.00 0.00 C ATOM 1447 CD ARG A 87 -4.847 -18.125 -5.815 1.00 0.00 C ATOM 1448 NE ARG A 87 -6.336 -18.143 -5.593 1.00 0.00 N ATOM 1449 CZ ARG A 87 -7.173 -19.041 -6.200 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -6.687 -19.989 -7.053 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -8.513 -18.986 -5.944 1.00 0.00 N ATOM 0 H ARG A 87 -5.261 -13.161 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.939 -14.911 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.756 -15.556 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.514 -15.407 -6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.136 -17.125 -4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.467 -17.324 -3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.623 -17.890 -6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.423 -19.109 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.741 -17.453 -4.960 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.687 -20.036 -7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.324 -20.650 -7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.882 -18.281 -5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.145 -19.650 -6.391 1.00 0.00 H new ATOM 1465 N ILE A 88 -1.518 -14.740 -3.906 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.083 -14.598 -4.147 1.00 0.00 C ATOM 1467 C ILE A 88 0.586 -15.840 -3.599 1.00 0.00 C ATOM 1468 O ILE A 88 0.448 -16.166 -2.422 1.00 0.00 O ATOM 1469 CB ILE A 88 0.515 -13.302 -3.563 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.028 -12.959 -2.146 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.231 -12.186 -4.592 1.00 0.00 C ATOM 1472 CD1 ILE A 88 0.260 -11.542 -1.639 1.00 0.00 C ATOM 0 H ILE A 88 -1.724 -15.118 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 88 0.096 -14.506 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 88 1.587 -13.422 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.107 -13.111 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.394 -13.670 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.635 -11.242 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.702 -12.439 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.845 -12.088 -4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.165 -11.418 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.337 -11.383 -1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.187 -10.815 -2.317 1.00 0.00 H new ATOM 1484 N GLY A 89 1.279 -16.628 -4.486 1.00 0.00 N ATOM 1485 CA GLY A 89 1.932 -17.934 -4.149 1.00 0.00 C ATOM 1486 C GLY A 89 0.950 -19.052 -3.858 1.00 0.00 C ATOM 1487 O GLY A 89 1.261 -20.012 -3.164 1.00 0.00 O ATOM 0 H GLY A 89 1.399 -16.368 -5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.574 -18.233 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.577 -17.794 -3.281 1.00 0.00 H new ATOM 1491 N GLY A 90 -0.297 -18.895 -4.369 1.00 0.00 N ATOM 1492 CA GLY A 90 -1.448 -19.778 -4.102 1.00 0.00 C ATOM 1493 C GLY A 90 -2.246 -19.446 -2.848 1.00 0.00 C ATOM 1494 O GLY A 90 -3.083 -20.244 -2.439 1.00 0.00 O ATOM 0 H GLY A 90 -0.531 -18.126 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.119 -19.742 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.087 -20.804 -4.022 1.00 0.00 H new ATOM 1498 N ALA A 91 -2.030 -18.275 -2.180 1.00 0.00 N ATOM 1499 CA ALA A 91 -2.707 -17.932 -0.939 1.00 0.00 C ATOM 1500 C ALA A 91 -3.215 -16.486 -0.987 1.00 0.00 C ATOM 1501 O ALA A 91 -2.549 -15.596 -1.511 1.00 0.00 O ATOM 1502 CB ALA A 91 -1.738 -18.155 0.239 1.00 0.00 C ATOM 0 H ALA A 91 -1.379 -17.559 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.577 -18.574 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.237 -17.900 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.431 -19.201 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.860 -17.522 0.112 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.440 -16.234 -0.454 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.207 -14.995 -0.416 1.00 0.00 C ATOM 1510 C ASP A 92 -5.000 -14.208 0.890 1.00 0.00 C ATOM 1511 O ASP A 92 -5.442 -14.641 1.951 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.702 -15.415 -0.610 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.679 -14.265 -0.874 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.484 -13.534 -1.879 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.648 -14.129 -0.080 1.00 0.00 O ATOM 0 H ASP A 92 -4.955 -16.986 0.005 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.876 -14.314 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.760 -16.116 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.030 -15.950 0.281 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.313 -13.043 0.853 1.00 0.00 N ATOM 1521 CA PHE A 93 -4.021 -12.228 2.032 1.00 0.00 C ATOM 1522 C PHE A 93 -4.450 -10.799 1.760 1.00 0.00 C ATOM 1523 O PHE A 93 -4.764 -10.437 0.625 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.494 -12.166 2.399 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.813 -13.506 2.380 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -1.728 -14.304 3.506 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.171 -13.916 1.229 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.004 -15.484 3.479 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.444 -15.083 1.192 1.00 0.00 C ATOM 1530 CZ PHE A 93 -0.355 -15.870 2.322 1.00 0.00 C ATOM 0 H PHE A 93 -3.946 -12.647 -0.012 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.558 -12.694 2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.988 -11.501 1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.385 -11.727 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.230 -14.004 4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.241 -13.308 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.947 -16.103 4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.055 -15.382 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.220 -16.784 2.302 1.00 0.00 H new ATOM 1540 N LEU A 94 -4.329 -9.921 2.807 1.00 0.00 N ATOM 1541 CA LEU A 94 -4.421 -8.472 2.709 1.00 0.00 C ATOM 1542 C LEU A 94 -2.971 -8.061 2.456 1.00 0.00 C ATOM 1543 O LEU A 94 -2.090 -8.242 3.289 1.00 0.00 O ATOM 1544 CB LEU A 94 -5.013 -7.830 3.992 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.542 -7.622 3.869 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -7.285 -8.966 3.837 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -7.094 -6.783 5.041 1.00 0.00 C ATOM 0 H LEU A 94 -4.160 -10.239 3.761 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.099 -8.135 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.799 -8.467 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.528 -6.872 4.177 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.710 -7.089 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.357 -8.787 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.944 -9.550 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.082 -9.516 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.170 -6.656 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.890 -7.294 5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.612 -5.805 5.047 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.696 -7.591 1.232 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.360 -7.352 0.712 1.00 0.00 C ATOM 1561 C VAL A 95 -1.278 -5.858 0.488 1.00 0.00 C ATOM 1562 O VAL A 95 -2.247 -5.237 0.042 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.171 -8.237 -0.542 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -2.276 -8.095 -1.625 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.197 -8.050 -1.219 1.00 0.00 C ATOM 0 H VAL A 95 -3.429 -7.362 0.560 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.540 -7.629 1.375 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.243 -9.241 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.052 -8.756 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.241 -8.366 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.311 -7.064 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.263 -8.700 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.310 -7.012 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.989 -8.306 -0.515 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.105 -5.230 0.771 1.00 0.00 N ATOM 1576 CA TRP A 96 0.006 -3.771 0.536 1.00 0.00 C ATOM 1577 C TRP A 96 0.786 -3.668 -0.794 1.00 0.00 C ATOM 1578 O TRP A 96 1.827 -4.294 -0.956 1.00 0.00 O ATOM 1579 CB TRP A 96 0.816 -3.176 1.731 1.00 0.00 C ATOM 1580 CG TRP A 96 -0.004 -2.635 2.906 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -1.238 -2.047 2.889 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.484 -2.488 4.256 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -1.526 -1.493 4.117 1.00 0.00 N ATOM 1584 CE2 TRP A 96 -0.459 -1.733 4.960 1.00 0.00 C ATOM 1585 CE3 TRP A 96 1.622 -2.941 4.864 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 -0.234 -1.350 6.254 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 1.803 -2.625 6.195 1.00 0.00 C ATOM 1588 CH2 TRP A 96 0.931 -1.786 6.857 1.00 0.00 C ATOM 0 H TRP A 96 0.731 -5.682 1.141 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.941 -3.235 0.473 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.486 -3.949 2.109 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.443 -2.369 1.351 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.895 -2.020 2.032 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.380 -0.992 4.361 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.352 -3.524 4.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.941 -0.730 6.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.644 -3.043 6.729 1.00 0.00 H new ATOM 0 HH2 TRP A 96 1.162 -1.465 7.862 1.00 0.00 H new ATOM 1599 N ARG A 97 0.320 -2.910 -1.821 1.00 0.00 N ATOM 1600 CA ARG A 97 0.970 -2.894 -3.136 1.00 0.00 C ATOM 1601 C ARG A 97 0.862 -1.498 -3.693 1.00 0.00 C ATOM 1602 O ARG A 97 0.118 -0.690 -3.125 1.00 0.00 O ATOM 1603 CB ARG A 97 0.265 -3.884 -4.104 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.169 -3.504 -4.540 1.00 0.00 C ATOM 1605 CD ARG A 97 -1.855 -4.596 -5.368 1.00 0.00 C ATOM 1606 NE ARG A 97 -3.111 -4.050 -5.996 1.00 0.00 N ATOM 1607 CZ ARG A 97 -3.137 -3.376 -7.191 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -1.994 -3.149 -7.900 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -4.330 -2.921 -7.674 1.00 0.00 N ATOM 0 H ARG A 97 -0.501 -2.308 -1.753 1.00 0.00 H new ATOM 0 HA ARG A 97 2.013 -3.194 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.880 -3.986 -4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.230 -4.864 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.769 -3.298 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.133 -2.583 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.178 -4.957 -6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.096 -5.448 -4.733 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.994 -4.190 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.098 -3.482 -7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.035 -2.646 -8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.189 -3.083 -7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.363 -2.419 -8.561 1.00 0.00 H new ATOM 1623 N TRP A 98 1.543 -1.134 -4.827 1.00 0.00 N ATOM 1624 CA TRP A 98 1.369 0.195 -5.396 1.00 0.00 C ATOM 1625 C TRP A 98 0.893 0.374 -6.826 1.00 0.00 C ATOM 1626 O TRP A 98 1.185 -0.407 -7.725 1.00 0.00 O ATOM 1627 CB TRP A 98 2.363 1.222 -4.877 1.00 0.00 C ATOM 1628 CG TRP A 98 1.862 2.646 -4.778 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.664 3.656 -5.131 1.00 0.00 C ATOM 1630 CD2 TRP A 98 0.585 3.253 -4.406 1.00 0.00 C ATOM 1631 NE1 TRP A 98 1.998 4.816 -5.098 1.00 0.00 N ATOM 1632 CE2 TRP A 98 0.726 4.621 -4.634 1.00 0.00 C ATOM 1633 CE3 TRP A 98 -0.596 2.757 -3.906 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 -0.282 5.511 -4.378 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 -1.589 3.665 -3.582 1.00 0.00 C ATOM 1636 CH2 TRP A 98 -1.449 5.015 -3.836 1.00 0.00 C ATOM 0 H TRP A 98 2.191 -1.738 -5.332 1.00 0.00 H new ATOM 0 HA TRP A 98 0.404 0.446 -4.955 1.00 0.00 H new ATOM 0 HB2 TRP A 98 2.697 0.907 -3.888 1.00 0.00 H new ATOM 0 HB3 TRP A 98 3.238 1.211 -5.527 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.703 3.550 -5.404 1.00 0.00 H new ATOM 0 HE1 TRP A 98 2.384 5.717 -5.379 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.744 1.696 -3.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -0.168 6.563 -4.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -2.497 3.308 -3.118 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -2.261 5.689 -3.608 1.00 0.00 H new ATOM 1647 N ILE A 99 0.083 1.464 -6.979 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.673 1.978 -8.095 1.00 0.00 C ATOM 1649 C ILE A 99 0.046 3.291 -8.389 1.00 0.00 C ATOM 1650 O ILE A 99 0.086 4.193 -7.560 1.00 0.00 O ATOM 1651 CB ILE A 99 -2.162 2.066 -7.653 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.582 3.318 -6.822 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.429 0.793 -6.813 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.847 3.154 -5.960 1.00 0.00 C ATOM 0 H ILE A 99 -0.054 2.077 -6.175 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.713 1.385 -9.009 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.755 2.154 -8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.753 3.593 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.737 4.151 -7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.464 0.794 -6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.250 -0.091 -7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.761 0.779 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.046 4.083 -5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.696 2.915 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.696 2.348 -5.242 1.00 0.00 H new ATOM 1666 N GLN A 100 0.754 3.428 -9.534 1.00 0.00 N ATOM 1667 CA GLN A 100 1.610 4.606 -9.719 1.00 0.00 C ATOM 1668 C GLN A 100 1.474 5.138 -11.155 1.00 0.00 C ATOM 1669 O GLN A 100 2.098 4.581 -12.055 1.00 0.00 O ATOM 1670 CB GLN A 100 3.107 4.243 -9.326 1.00 0.00 C ATOM 1671 CG GLN A 100 3.360 2.748 -8.941 1.00 0.00 C ATOM 1672 CD GLN A 100 4.827 2.317 -8.775 1.00 0.00 C ATOM 1673 OE1 GLN A 100 5.586 2.049 -9.708 1.00 0.00 O ATOM 1674 NE2 GLN A 100 5.269 2.182 -7.502 1.00 0.00 N ATOM 0 H GLN A 100 0.748 2.765 -10.309 1.00 0.00 H new ATOM 0 HA GLN A 100 1.292 5.413 -9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.756 4.499 -10.163 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.406 4.871 -8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.837 2.544 -8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.904 2.118 -9.705 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.650 2.401 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.221 1.862 -7.324 1.00 0.00 H new