USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 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 30 SER OG : rot -78:sc= 1.28 USER MOD Set 1.2: A 31 HIS : no HD1:sc= -1.07 K(o=-0.0012,f=-1.4) USER MOD Set 1.3: A 42 GLN : amide:sc= -0.941! C(o=-0.0012!,f=-1!) USER MOD Set 1.4: A 45 MET CE :methyl 173:sc= -0.135 (180deg=-0.244) USER MOD Set 1.5: A 49 HIS : no HD1:sc= -0.254 K(o=-0.0012,f=-2.5!) USER MOD Set 1.6: A 53 SER OG : rot 67:sc= 1.12 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -160:sc= -2.28 (180deg=-4.12!) USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= 0.731 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.47) USER MOD Single : A 35 CYS SG : rot -150:sc= -3.29! USER MOD Single : A 36 GLN : amide:sc= 0.533 K(o=0.53,f=-0.072) USER MOD Single : A 38 ASN : amide:sc= 0.557 K(o=0.56,f=-6.3!) USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= 0.0987 (180deg=0) USER MOD Single : A 44 TYR OH : rot 5:sc= 0.0181 USER MOD Single : A 56 GLN : amide:sc= 0.74 K(o=0.74,f=-0.24) USER MOD Single : A 58 HIS : no HE2:sc= 0.33 K(o=0.33,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ 139:sc= -0.426 (180deg=-2.2!) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.378) USER MOD Single : A 63 MET CE :methyl 171:sc= -2.55 (180deg=-2.83) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.103) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0457) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 79 SER OG : rot 34:sc= 1.27 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN :FLIP amide:sc= -0.56 F(o=-1.2,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 5.152 10.738 15.588 1.00 0.00 N ATOM 285 CA TYR A 18 6.426 11.348 15.919 1.00 0.00 C ATOM 286 C TYR A 18 7.496 10.442 16.559 1.00 0.00 C ATOM 287 O TYR A 18 8.680 10.768 16.526 1.00 0.00 O ATOM 288 CB TYR A 18 6.095 12.601 16.805 1.00 0.00 C ATOM 289 CG TYR A 18 5.017 13.454 16.126 1.00 0.00 C ATOM 290 CD1 TYR A 18 5.365 14.173 14.992 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.674 13.479 16.521 1.00 0.00 C ATOM 292 CE1 TYR A 18 4.417 14.871 14.271 1.00 0.00 C ATOM 293 CE2 TYR A 18 2.718 14.172 15.785 1.00 0.00 C ATOM 294 CZ TYR A 18 3.097 14.864 14.656 1.00 0.00 C ATOM 295 OH TYR A 18 2.148 15.532 13.853 1.00 0.00 O ATOM 0 HA TYR A 18 6.918 11.610 14.982 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.751 12.281 17.788 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.996 13.195 16.960 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.395 14.187 14.668 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.374 12.950 17.414 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.715 15.428 13.395 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.684 14.167 16.097 1.00 0.00 H new ATOM 0 HH TYR A 18 1.258 15.439 14.252 1.00 0.00 H new ATOM 305 N ASP A 19 7.084 9.260 17.114 1.00 0.00 N ATOM 306 CA ASP A 19 7.934 8.207 17.683 1.00 0.00 C ATOM 307 C ASP A 19 8.500 7.240 16.625 1.00 0.00 C ATOM 308 O ASP A 19 9.485 7.565 15.981 1.00 0.00 O ATOM 309 CB ASP A 19 7.317 7.488 18.935 1.00 0.00 C ATOM 310 CG ASP A 19 5.953 6.790 18.769 1.00 0.00 C ATOM 311 OD1 ASP A 19 5.406 6.737 17.639 1.00 0.00 O ATOM 312 OD2 ASP A 19 5.446 6.287 19.809 1.00 0.00 O ATOM 0 H ASP A 19 6.094 9.020 17.171 1.00 0.00 H new ATOM 0 HA ASP A 19 8.801 8.735 18.080 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.034 6.743 19.279 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.219 8.227 19.730 1.00 0.00 H new ATOM 317 N MET A 20 7.912 6.022 16.397 1.00 0.00 N ATOM 318 CA MET A 20 8.370 4.982 15.473 1.00 0.00 C ATOM 319 C MET A 20 8.098 5.228 14.014 1.00 0.00 C ATOM 320 O MET A 20 8.871 4.796 13.169 1.00 0.00 O ATOM 321 CB MET A 20 7.905 3.540 15.905 1.00 0.00 C ATOM 322 CG MET A 20 6.678 2.862 15.227 1.00 0.00 C ATOM 323 SD MET A 20 7.047 1.407 14.169 1.00 0.00 S ATOM 324 CE MET A 20 7.913 2.127 12.747 1.00 0.00 C ATOM 0 H MET A 20 7.062 5.745 16.889 1.00 0.00 H new ATOM 0 HA MET A 20 9.455 5.039 15.562 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.756 2.874 15.766 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.700 3.577 16.975 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.982 2.553 16.007 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.165 3.608 14.619 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.869 1.435 11.906 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.437 3.067 12.469 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.954 2.311 13.010 1.00 0.00 H new ATOM 334 N VAL A 21 7.014 5.951 13.615 1.00 0.00 N ATOM 335 CA VAL A 21 6.671 6.123 12.152 1.00 0.00 C ATOM 336 C VAL A 21 7.691 6.782 11.249 1.00 0.00 C ATOM 337 O VAL A 21 7.773 6.428 10.076 1.00 0.00 O ATOM 338 CB VAL A 21 5.225 6.505 11.782 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.249 6.081 12.903 1.00 0.00 C ATOM 340 CG2 VAL A 21 5.079 8.007 11.429 1.00 0.00 C ATOM 0 H VAL A 21 6.372 6.417 14.256 1.00 0.00 H new ATOM 0 HA VAL A 21 6.741 5.063 11.909 1.00 0.00 H new ATOM 0 HB VAL A 21 4.964 5.957 10.877 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.232 6.359 12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.304 5.002 13.045 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.521 6.583 13.831 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.041 8.222 11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.377 8.613 12.285 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.717 8.244 10.577 1.00 0.00 H new ATOM 350 N VAL A 22 8.498 7.740 11.782 1.00 0.00 N ATOM 351 CA VAL A 22 9.563 8.491 11.097 1.00 0.00 C ATOM 352 C VAL A 22 10.614 7.630 10.347 1.00 0.00 C ATOM 353 O VAL A 22 11.059 7.991 9.263 1.00 0.00 O ATOM 354 CB VAL A 22 10.238 9.439 12.095 1.00 0.00 C ATOM 355 CG1 VAL A 22 11.353 10.292 11.449 1.00 0.00 C ATOM 356 CG2 VAL A 22 9.169 10.360 12.727 1.00 0.00 C ATOM 0 H VAL A 22 8.409 8.018 12.759 1.00 0.00 H new ATOM 0 HA VAL A 22 9.069 9.051 10.303 1.00 0.00 H new ATOM 0 HB VAL A 22 10.713 8.825 12.860 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.795 10.944 12.202 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.122 9.636 11.040 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.930 10.898 10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.645 11.036 13.437 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.681 10.941 11.945 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.426 9.753 13.245 1.00 0.00 H new ATOM 366 N LYS A 23 11.002 6.432 10.866 1.00 0.00 N ATOM 367 CA LYS A 23 11.820 5.419 10.176 1.00 0.00 C ATOM 368 C LYS A 23 11.104 4.608 9.084 1.00 0.00 C ATOM 369 O LYS A 23 11.745 4.057 8.193 1.00 0.00 O ATOM 370 CB LYS A 23 12.660 4.515 11.125 1.00 0.00 C ATOM 371 CG LYS A 23 11.905 3.901 12.314 1.00 0.00 C ATOM 372 CD LYS A 23 12.222 4.561 13.670 1.00 0.00 C ATOM 373 CE LYS A 23 11.822 6.035 13.810 1.00 0.00 C ATOM 374 NZ LYS A 23 12.126 6.528 15.170 1.00 0.00 N ATOM 0 H LYS A 23 10.740 6.144 11.809 1.00 0.00 H new ATOM 0 HA LYS A 23 12.531 6.041 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.090 3.705 10.536 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.491 5.103 11.513 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.834 3.975 12.128 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.145 2.839 12.374 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.721 3.993 14.454 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.294 4.477 13.851 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.356 6.634 13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.758 6.150 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.269 6.944 15.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.451 5.737 15.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.872 7.251 15.119 1.00 0.00 H new ATOM 388 N ILE A 24 9.739 4.489 9.121 1.00 0.00 N ATOM 389 CA ILE A 24 8.913 3.814 8.095 1.00 0.00 C ATOM 390 C ILE A 24 8.676 4.607 6.822 1.00 0.00 C ATOM 391 O ILE A 24 8.682 4.030 5.738 1.00 0.00 O ATOM 392 CB ILE A 24 7.642 3.108 8.609 1.00 0.00 C ATOM 393 CG1 ILE A 24 7.961 1.578 8.692 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.365 3.342 7.740 1.00 0.00 C ATOM 395 CD1 ILE A 24 6.823 0.642 9.104 1.00 0.00 C ATOM 0 H ILE A 24 9.182 4.871 9.885 1.00 0.00 H new ATOM 0 HA ILE A 24 9.574 2.999 7.800 1.00 0.00 H new ATOM 0 HB ILE A 24 7.397 3.538 9.580 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.325 1.257 7.716 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.780 1.443 9.398 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.523 2.807 8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.139 4.408 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.541 2.975 6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.185 -0.386 9.120 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.467 0.917 10.097 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.005 0.728 8.389 1.00 0.00 H new ATOM 407 N ILE A 25 8.462 5.961 6.889 1.00 0.00 N ATOM 408 CA ILE A 25 8.214 6.903 5.766 1.00 0.00 C ATOM 409 C ILE A 25 9.287 6.854 4.671 1.00 0.00 C ATOM 410 O ILE A 25 9.000 6.983 3.481 1.00 0.00 O ATOM 411 CB ILE A 25 7.871 8.338 6.209 1.00 0.00 C ATOM 412 CG1 ILE A 25 8.968 8.935 7.124 1.00 0.00 C ATOM 413 CG2 ILE A 25 6.488 8.295 6.899 1.00 0.00 C ATOM 414 CD1 ILE A 25 8.619 10.241 7.853 1.00 0.00 C ATOM 0 H ILE A 25 8.460 6.444 7.787 1.00 0.00 H new ATOM 0 HA ILE A 25 7.303 6.527 5.300 1.00 0.00 H new ATOM 0 HB ILE A 25 7.829 9.000 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.232 8.187 7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.858 9.109 6.520 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.213 9.298 7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.742 7.926 6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.533 7.631 7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.467 10.556 8.461 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.389 11.016 7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.753 10.079 8.495 1.00 0.00 H new ATOM 426 N ASP A 26 10.543 6.530 5.110 1.00 0.00 N ATOM 427 CA ASP A 26 11.736 6.201 4.329 1.00 0.00 C ATOM 428 C ASP A 26 11.623 4.933 3.466 1.00 0.00 C ATOM 429 O ASP A 26 12.230 4.893 2.401 1.00 0.00 O ATOM 430 CB ASP A 26 13.002 6.079 5.224 1.00 0.00 C ATOM 431 CG ASP A 26 13.212 7.374 6.014 1.00 0.00 C ATOM 432 OD1 ASP A 26 13.360 8.446 5.369 1.00 0.00 O ATOM 433 OD2 ASP A 26 13.228 7.306 7.272 1.00 0.00 O ATOM 0 H ASP A 26 10.742 6.495 6.110 1.00 0.00 H new ATOM 0 HA ASP A 26 11.829 7.046 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.893 5.239 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.876 5.875 4.606 1.00 0.00 H new ATOM 438 N VAL A 27 10.806 3.884 3.845 1.00 0.00 N ATOM 439 CA VAL A 27 10.511 2.728 2.975 1.00 0.00 C ATOM 440 C VAL A 27 9.549 3.079 1.840 1.00 0.00 C ATOM 441 O VAL A 27 9.871 2.873 0.669 1.00 0.00 O ATOM 442 CB VAL A 27 10.147 1.385 3.644 1.00 0.00 C ATOM 443 CG1 VAL A 27 11.401 0.871 4.341 1.00 0.00 C ATOM 444 CG2 VAL A 27 9.002 1.331 4.684 1.00 0.00 C ATOM 0 H VAL A 27 10.349 3.836 4.756 1.00 0.00 H new ATOM 0 HA VAL A 27 11.497 2.517 2.560 1.00 0.00 H new ATOM 0 HB VAL A 27 9.766 0.791 2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.183 -0.080 4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 27 12.194 0.730 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.724 1.595 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.888 0.310 5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.239 1.989 5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.072 1.657 4.218 1.00 0.00 H new ATOM 454 N LEU A 28 8.361 3.686 2.126 1.00 0.00 N ATOM 455 CA LEU A 28 7.344 4.133 1.168 1.00 0.00 C ATOM 456 C LEU A 28 7.769 5.147 0.098 1.00 0.00 C ATOM 457 O LEU A 28 7.589 4.889 -1.097 1.00 0.00 O ATOM 458 CB LEU A 28 6.055 4.659 1.892 1.00 0.00 C ATOM 459 CG LEU A 28 5.214 3.653 2.740 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.539 2.171 2.463 1.00 0.00 C ATOM 461 CD2 LEU A 28 5.298 3.924 4.251 1.00 0.00 C ATOM 0 H LEU A 28 8.086 3.880 3.089 1.00 0.00 H new ATOM 0 HA LEU A 28 7.146 3.215 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.354 5.477 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.398 5.083 1.133 1.00 0.00 H new ATOM 0 HG LEU A 28 4.191 3.832 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.913 1.538 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.346 1.946 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.588 1.981 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.693 3.192 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.335 3.846 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.926 4.926 4.462 1.00 0.00 H new ATOM 473 N ARG A 29 8.425 6.279 0.484 1.00 0.00 N ATOM 474 CA ARG A 29 9.007 7.295 -0.442 1.00 0.00 C ATOM 475 C ARG A 29 9.979 6.761 -1.523 1.00 0.00 C ATOM 476 O ARG A 29 10.103 7.313 -2.603 1.00 0.00 O ATOM 477 CB ARG A 29 9.652 8.467 0.336 1.00 0.00 C ATOM 478 CG ARG A 29 8.604 9.290 1.108 1.00 0.00 C ATOM 479 CD ARG A 29 9.228 10.286 2.095 1.00 0.00 C ATOM 480 NE ARG A 29 8.107 10.982 2.823 1.00 0.00 N ATOM 481 CZ ARG A 29 8.286 11.705 3.972 1.00 0.00 C ATOM 482 NH1 ARG A 29 9.525 11.843 4.529 1.00 0.00 N ATOM 483 NH2 ARG A 29 7.206 12.285 4.573 1.00 0.00 N ATOM 0 H ARG A 29 8.567 6.515 1.466 1.00 0.00 H new ATOM 0 HA ARG A 29 8.142 7.649 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.392 8.076 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.183 9.116 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.982 9.834 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.947 8.612 1.652 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.877 9.768 2.801 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.847 11.011 1.566 1.00 0.00 H new ATOM 0 HE ARG A 29 7.165 10.911 2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.334 11.404 4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.642 12.385 5.385 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.277 12.178 4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.328 12.826 5.429 1.00 0.00 H new ATOM 497 N SER A 30 10.672 5.640 -1.226 1.00 0.00 N ATOM 498 CA SER A 30 11.698 4.902 -1.984 1.00 0.00 C ATOM 499 C SER A 30 11.151 4.223 -3.207 1.00 0.00 C ATOM 500 O SER A 30 11.625 4.404 -4.324 1.00 0.00 O ATOM 501 CB SER A 30 12.438 3.870 -1.045 1.00 0.00 C ATOM 502 OG SER A 30 11.924 2.527 -0.927 1.00 0.00 O ATOM 0 H SER A 30 10.500 5.175 -0.334 1.00 0.00 H new ATOM 0 HA SER A 30 12.418 5.638 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.470 3.797 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.465 4.299 -0.044 1.00 0.00 H new ATOM 0 HG SER A 30 11.148 2.525 -0.328 1.00 0.00 H new ATOM 508 N HIS A 31 10.004 3.512 -3.008 1.00 0.00 N ATOM 509 CA HIS A 31 9.120 2.950 -3.987 1.00 0.00 C ATOM 510 C HIS A 31 8.520 4.066 -4.833 1.00 0.00 C ATOM 511 O HIS A 31 8.400 3.919 -6.028 1.00 0.00 O ATOM 512 CB HIS A 31 7.975 2.186 -3.262 1.00 0.00 C ATOM 513 CG HIS A 31 8.430 1.370 -2.072 1.00 0.00 C ATOM 514 ND1 HIS A 31 7.613 1.159 -0.983 1.00 0.00 N ATOM 515 CD2 HIS A 31 9.580 0.691 -1.799 1.00 0.00 C ATOM 516 CE1 HIS A 31 8.282 0.362 -0.126 1.00 0.00 C ATOM 517 NE2 HIS A 31 9.479 0.056 -0.569 1.00 0.00 N ATOM 0 H HIS A 31 9.675 3.319 -2.062 1.00 0.00 H new ATOM 0 HA HIS A 31 9.675 2.265 -4.629 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.227 2.906 -2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.486 1.524 -3.977 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.444 0.653 -2.446 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.880 0.016 0.815 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.182 -0.523 -0.109 1.00 0.00 H new ATOM 525 N ASN A 32 8.202 5.240 -4.212 1.00 0.00 N ATOM 526 CA ASN A 32 7.582 6.436 -4.810 1.00 0.00 C ATOM 527 C ASN A 32 8.469 7.258 -5.710 1.00 0.00 C ATOM 528 O ASN A 32 8.003 7.706 -6.752 1.00 0.00 O ATOM 529 CB ASN A 32 6.929 7.395 -3.770 1.00 0.00 C ATOM 530 CG ASN A 32 5.642 6.794 -3.238 1.00 0.00 C ATOM 531 OD1 ASN A 32 4.605 7.459 -3.248 1.00 0.00 O ATOM 532 ND2 ASN A 32 5.660 5.510 -2.824 1.00 0.00 N ATOM 0 H ASN A 32 8.388 5.373 -3.218 1.00 0.00 H new ATOM 0 HA ASN A 32 6.812 5.980 -5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.621 7.577 -2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.724 8.360 -4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.799 5.064 -2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.535 4.985 -2.827 1.00 0.00 H new ATOM 539 N GLU A 33 9.779 7.420 -5.370 1.00 0.00 N ATOM 540 CA GLU A 33 10.849 8.066 -6.142 1.00 0.00 C ATOM 541 C GLU A 33 10.969 7.532 -7.571 1.00 0.00 C ATOM 542 O GLU A 33 10.875 8.248 -8.559 1.00 0.00 O ATOM 543 CB GLU A 33 12.202 7.840 -5.387 1.00 0.00 C ATOM 544 CG GLU A 33 12.476 8.815 -4.230 1.00 0.00 C ATOM 545 CD GLU A 33 13.851 8.534 -3.621 1.00 0.00 C ATOM 546 OE1 GLU A 33 14.869 8.734 -4.335 1.00 0.00 O ATOM 547 OE2 GLU A 33 13.898 8.119 -2.432 1.00 0.00 O ATOM 0 H GLU A 33 10.128 7.071 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 33 10.606 9.125 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.216 6.823 -4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 33 13.018 7.916 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.433 9.842 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.704 8.713 -3.467 1.00 0.00 H new ATOM 554 N ALA A 34 11.094 6.201 -7.681 1.00 0.00 N ATOM 555 CA ALA A 34 10.954 5.442 -8.908 1.00 0.00 C ATOM 556 C ALA A 34 9.527 5.251 -9.445 1.00 0.00 C ATOM 557 O ALA A 34 9.317 4.997 -10.629 1.00 0.00 O ATOM 558 CB ALA A 34 11.749 4.151 -8.790 1.00 0.00 C ATOM 0 H ALA A 34 11.304 5.610 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 34 11.379 6.060 -9.698 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.647 3.576 -9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.800 4.385 -8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.370 3.565 -7.952 1.00 0.00 H new ATOM 564 N CYS A 35 8.486 5.278 -8.563 1.00 0.00 N ATOM 565 CA CYS A 35 7.063 5.067 -8.879 1.00 0.00 C ATOM 566 C CYS A 35 6.386 6.252 -9.571 1.00 0.00 C ATOM 567 O CYS A 35 5.481 6.059 -10.370 1.00 0.00 O ATOM 568 CB CYS A 35 6.167 4.326 -7.847 1.00 0.00 C ATOM 569 SG CYS A 35 4.910 3.298 -8.650 1.00 0.00 S ATOM 0 H CYS A 35 8.635 5.457 -7.570 1.00 0.00 H new ATOM 0 HA CYS A 35 7.156 4.286 -9.634 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.791 3.702 -7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.679 5.056 -7.201 1.00 0.00 H new ATOM 0 HG CYS A 35 3.860 3.222 -7.888 1.00 0.00 H new ATOM 575 N GLN A 36 6.839 7.525 -9.332 1.00 0.00 N ATOM 576 CA GLN A 36 6.447 8.783 -10.033 1.00 0.00 C ATOM 577 C GLN A 36 6.714 8.800 -11.550 1.00 0.00 C ATOM 578 O GLN A 36 6.372 9.713 -12.293 1.00 0.00 O ATOM 579 CB GLN A 36 6.913 10.095 -9.328 1.00 0.00 C ATOM 580 CG GLN A 36 8.432 10.279 -9.112 1.00 0.00 C ATOM 581 CD GLN A 36 9.237 10.636 -10.372 1.00 0.00 C ATOM 582 OE1 GLN A 36 9.142 11.728 -10.939 1.00 0.00 O ATOM 583 NE2 GLN A 36 10.100 9.670 -10.779 1.00 0.00 N ATOM 0 H GLN A 36 7.527 7.705 -8.601 1.00 0.00 H new ATOM 0 HA GLN A 36 5.361 8.770 -9.939 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.550 10.940 -9.913 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.425 10.148 -8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.584 11.062 -8.370 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.836 9.358 -8.691 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.144 8.782 -10.279 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.704 9.832 -11.585 1.00 0.00 H new ATOM 592 N GLU A 37 7.468 7.766 -11.957 1.00 0.00 N ATOM 593 CA GLU A 37 8.018 7.480 -13.269 1.00 0.00 C ATOM 594 C GLU A 37 7.378 6.248 -13.884 1.00 0.00 C ATOM 595 O GLU A 37 7.272 6.128 -15.103 1.00 0.00 O ATOM 596 CB GLU A 37 9.555 7.249 -13.097 1.00 0.00 C ATOM 597 CG GLU A 37 10.333 6.419 -14.150 1.00 0.00 C ATOM 598 CD GLU A 37 10.515 7.161 -15.475 1.00 0.00 C ATOM 599 OE1 GLU A 37 10.123 8.354 -15.573 1.00 0.00 O ATOM 600 OE2 GLU A 37 11.070 6.530 -16.416 1.00 0.00 O ATOM 0 H GLU A 37 7.729 7.037 -11.293 1.00 0.00 H new ATOM 0 HA GLU A 37 7.818 8.317 -13.938 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.027 8.230 -13.043 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.705 6.770 -12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.312 6.157 -13.748 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.803 5.484 -14.332 1.00 0.00 H new ATOM 607 N ASN A 38 6.957 5.280 -13.052 1.00 0.00 N ATOM 608 CA ASN A 38 6.505 3.958 -13.373 1.00 0.00 C ATOM 609 C ASN A 38 5.032 3.918 -13.119 1.00 0.00 C ATOM 610 O ASN A 38 4.406 4.867 -12.660 1.00 0.00 O ATOM 611 CB ASN A 38 7.227 2.958 -12.399 1.00 0.00 C ATOM 612 CG ASN A 38 7.471 1.568 -12.997 1.00 0.00 C ATOM 613 OD1 ASN A 38 6.568 0.947 -13.562 1.00 0.00 O ATOM 614 ND2 ASN A 38 8.718 1.056 -12.825 1.00 0.00 N ATOM 0 H ASN A 38 6.931 5.442 -12.045 1.00 0.00 H new ATOM 0 HA ASN A 38 6.720 3.693 -14.408 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.184 3.386 -12.100 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.628 2.853 -11.494 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.938 0.121 -13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.434 1.606 -12.351 1.00 0.00 H new ATOM 621 N LYS A 39 4.442 2.747 -13.361 1.00 0.00 N ATOM 622 CA LYS A 39 3.054 2.498 -13.055 1.00 0.00 C ATOM 623 C LYS A 39 2.859 2.044 -11.608 1.00 0.00 C ATOM 624 O LYS A 39 2.080 2.625 -10.860 1.00 0.00 O ATOM 625 CB LYS A 39 2.425 1.555 -14.129 1.00 0.00 C ATOM 626 CG LYS A 39 3.052 0.153 -14.324 1.00 0.00 C ATOM 627 CD LYS A 39 2.315 -0.927 -13.518 1.00 0.00 C ATOM 628 CE LYS A 39 1.264 -1.681 -14.344 1.00 0.00 C ATOM 629 NZ LYS A 39 0.531 -2.663 -13.512 1.00 0.00 N ATOM 0 H LYS A 39 4.924 1.950 -13.776 1.00 0.00 H new ATOM 0 HA LYS A 39 2.499 3.434 -13.115 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.373 1.418 -13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.459 2.072 -15.088 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.032 -0.108 -15.382 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.099 0.179 -14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.041 -1.640 -13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.830 -0.463 -12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.560 -0.970 -14.777 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.750 -2.194 -15.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.585 -3.602 -13.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.957 -2.702 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.465 -2.375 -13.432 1.00 0.00 H new ATOM 643 N ASP A 40 3.540 0.933 -11.261 1.00 0.00 N ATOM 644 CA ASP A 40 3.691 0.260 -9.978 1.00 0.00 C ATOM 645 C ASP A 40 4.991 -0.552 -9.882 1.00 0.00 C ATOM 646 O ASP A 40 4.938 -1.737 -10.190 1.00 0.00 O ATOM 647 CB ASP A 40 2.417 -0.457 -9.403 1.00 0.00 C ATOM 648 CG ASP A 40 1.638 -1.401 -10.323 1.00 0.00 C ATOM 649 OD1 ASP A 40 2.198 -2.449 -10.736 1.00 0.00 O ATOM 650 OD2 ASP A 40 0.447 -1.091 -10.603 1.00 0.00 O ATOM 0 H ASP A 40 4.062 0.430 -11.978 1.00 0.00 H new ATOM 0 HA ASP A 40 3.798 1.081 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.723 -1.026 -8.525 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.728 0.314 -9.058 1.00 0.00 H new ATOM 655 N LEU A 41 6.201 -0.055 -9.465 1.00 0.00 N ATOM 656 CA LEU A 41 7.413 -0.927 -9.318 1.00 0.00 C ATOM 657 C LEU A 41 7.469 -1.937 -8.137 1.00 0.00 C ATOM 658 O LEU A 41 8.218 -2.909 -8.134 1.00 0.00 O ATOM 659 CB LEU A 41 8.742 -0.184 -9.349 1.00 0.00 C ATOM 660 CG LEU A 41 8.947 0.730 -8.147 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.294 0.499 -7.473 1.00 0.00 C ATOM 662 CD2 LEU A 41 8.816 2.111 -8.708 1.00 0.00 C ATOM 0 H LEU A 41 6.360 0.925 -9.230 1.00 0.00 H new ATOM 0 HA LEU A 41 7.271 -1.519 -10.222 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.555 -0.909 -9.389 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.798 0.409 -10.262 1.00 0.00 H new ATOM 0 HG LEU A 41 8.221 0.542 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.395 1.173 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.356 -0.533 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.096 0.692 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.950 2.842 -7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.576 2.266 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.827 2.232 -9.149 1.00 0.00 H new ATOM 674 N GLN A 42 6.579 -1.712 -7.146 1.00 0.00 N ATOM 675 CA GLN A 42 6.136 -2.476 -6.003 1.00 0.00 C ATOM 676 C GLN A 42 4.816 -3.146 -6.343 1.00 0.00 C ATOM 677 O GLN A 42 3.968 -3.021 -5.457 1.00 0.00 O ATOM 678 CB GLN A 42 6.022 -1.827 -4.615 1.00 0.00 C ATOM 679 CG GLN A 42 7.314 -1.611 -3.825 1.00 0.00 C ATOM 680 CD GLN A 42 8.246 -2.760 -3.408 1.00 0.00 C ATOM 681 OE1 GLN A 42 8.305 -3.884 -3.906 1.00 0.00 O ATOM 682 NE2 GLN A 42 8.978 -2.432 -2.307 1.00 0.00 N ATOM 0 H GLN A 42 6.079 -0.823 -7.154 1.00 0.00 H new ATOM 0 HA GLN A 42 6.979 -3.151 -5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.537 -0.859 -4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.357 -2.443 -4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.920 -0.918 -4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.032 -1.094 -2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.913 -1.494 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.592 -3.125 -1.878 1.00 0.00 H new ATOM 691 N PRO A 43 4.439 -3.730 -7.547 1.00 0.00 N ATOM 692 CA PRO A 43 3.105 -4.208 -7.966 1.00 0.00 C ATOM 693 C PRO A 43 2.313 -4.973 -6.888 1.00 0.00 C ATOM 694 O PRO A 43 1.103 -5.052 -7.035 1.00 0.00 O ATOM 695 CB PRO A 43 3.371 -5.099 -9.199 1.00 0.00 C ATOM 696 CG PRO A 43 4.779 -5.622 -8.979 1.00 0.00 C ATOM 697 CD PRO A 43 5.444 -4.376 -8.405 1.00 0.00 C ATOM 0 HA PRO A 43 2.464 -3.352 -8.177 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.649 -5.913 -9.266 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.297 -4.530 -10.126 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.806 -6.464 -8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.248 -5.955 -9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.333 -4.639 -7.832 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.765 -3.705 -9.201 1.00 0.00 H new ATOM 705 N TYR A 44 3.012 -5.566 -5.866 1.00 0.00 N ATOM 706 CA TYR A 44 2.525 -6.352 -4.748 1.00 0.00 C ATOM 707 C TYR A 44 3.702 -6.483 -3.780 1.00 0.00 C ATOM 708 O TYR A 44 4.833 -6.616 -4.241 1.00 0.00 O ATOM 709 CB TYR A 44 2.100 -7.813 -5.149 1.00 0.00 C ATOM 710 CG TYR A 44 0.859 -7.862 -6.041 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.411 -7.674 -5.508 1.00 0.00 C ATOM 712 CD2 TYR A 44 0.946 -8.056 -7.421 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.543 -7.762 -6.294 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.188 -8.086 -8.215 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.435 -7.958 -7.649 1.00 0.00 C ATOM 716 OH TYR A 44 -2.600 -7.979 -8.446 1.00 0.00 O ATOM 0 H TYR A 44 4.028 -5.479 -5.829 1.00 0.00 H new ATOM 0 HA TYR A 44 1.647 -5.855 -4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.929 -8.295 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.910 -8.390 -4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.515 -7.454 -4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.916 -8.185 -7.878 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.519 -7.676 -5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.093 -8.210 -9.284 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.380 -7.766 -7.892 1.00 0.00 H new ATOM 726 N MET A 45 3.464 -6.456 -2.438 1.00 0.00 N ATOM 727 CA MET A 45 4.451 -6.620 -1.358 1.00 0.00 C ATOM 728 C MET A 45 3.727 -7.323 -0.181 1.00 0.00 C ATOM 729 O MET A 45 2.559 -6.977 -0.024 1.00 0.00 O ATOM 730 CB MET A 45 4.998 -5.256 -0.776 1.00 0.00 C ATOM 731 CG MET A 45 5.350 -4.082 -1.727 1.00 0.00 C ATOM 732 SD MET A 45 4.800 -2.449 -1.113 1.00 0.00 S ATOM 733 CE MET A 45 6.101 -2.247 0.139 1.00 0.00 C ATOM 0 H MET A 45 2.523 -6.311 -2.072 1.00 0.00 H new ATOM 0 HA MET A 45 5.292 -7.173 -1.776 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.255 -4.886 -0.069 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.896 -5.487 -0.203 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.429 -4.059 -1.878 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.896 -4.266 -2.701 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.041 -1.247 0.568 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.966 -2.988 0.927 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.077 -2.385 -0.325 1.00 0.00 H new ATOM 743 N PRO A 46 4.163 -8.240 0.735 1.00 0.00 N ATOM 744 CA PRO A 46 3.340 -8.700 1.889 1.00 0.00 C ATOM 745 C PRO A 46 3.164 -7.582 2.952 1.00 0.00 C ATOM 746 O PRO A 46 3.903 -6.598 2.899 1.00 0.00 O ATOM 747 CB PRO A 46 4.239 -9.814 2.483 1.00 0.00 C ATOM 748 CG PRO A 46 5.671 -9.329 2.212 1.00 0.00 C ATOM 749 CD PRO A 46 5.513 -8.814 0.768 1.00 0.00 C ATOM 0 HA PRO A 46 2.335 -9.006 1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.058 -9.945 3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.048 -10.776 2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.983 -8.545 2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.404 -10.132 2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.269 -8.067 0.527 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.620 -9.621 0.044 1.00 0.00 H new ATOM 757 N ILE A 47 2.252 -7.705 3.976 1.00 0.00 N ATOM 758 CA ILE A 47 2.025 -6.711 5.064 1.00 0.00 C ATOM 759 C ILE A 47 3.324 -6.432 5.855 1.00 0.00 C ATOM 760 O ILE A 47 3.754 -5.275 5.928 1.00 0.00 O ATOM 761 CB ILE A 47 0.757 -6.901 5.930 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.427 -7.478 5.104 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.388 -5.534 6.571 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.789 -7.305 5.800 1.00 0.00 C ATOM 0 H ILE A 47 1.645 -8.521 4.061 1.00 0.00 H new ATOM 0 HA ILE A 47 1.763 -5.788 4.546 1.00 0.00 H new ATOM 0 HB ILE A 47 0.964 -7.630 6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.457 -6.987 4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.252 -8.538 4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.505 -5.650 7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.214 -5.189 7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.195 -4.804 5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.574 -7.728 5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.775 -7.820 6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.984 -6.245 5.960 1.00 0.00 H new ATOM 776 N PRO A 48 4.068 -7.439 6.380 1.00 0.00 N ATOM 777 CA PRO A 48 5.467 -7.385 6.710 1.00 0.00 C ATOM 778 C PRO A 48 6.471 -6.863 5.689 1.00 0.00 C ATOM 779 O PRO A 48 7.570 -6.695 6.149 1.00 0.00 O ATOM 780 CB PRO A 48 5.801 -8.400 7.819 1.00 0.00 C ATOM 781 CG PRO A 48 4.465 -9.157 7.948 1.00 0.00 C ATOM 782 CD PRO A 48 3.653 -8.806 6.669 1.00 0.00 C ATOM 0 HA PRO A 48 5.726 -6.440 7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.622 -9.060 7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.088 -7.912 8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.630 -10.232 8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.929 -8.853 8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.886 -9.481 5.845 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.579 -8.873 6.842 1.00 0.00 H new ATOM 790 N HIS A 49 6.351 -6.638 4.327 1.00 0.00 N ATOM 791 CA HIS A 49 7.481 -5.965 3.574 1.00 0.00 C ATOM 792 C HIS A 49 7.817 -4.603 4.182 1.00 0.00 C ATOM 793 O HIS A 49 8.953 -4.331 4.531 1.00 0.00 O ATOM 794 CB HIS A 49 7.237 -5.578 2.059 1.00 0.00 C ATOM 795 CG HIS A 49 8.456 -4.993 1.246 1.00 0.00 C ATOM 796 ND1 HIS A 49 9.215 -3.897 1.643 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.009 -5.355 0.049 1.00 0.00 C ATOM 798 CE1 HIS A 49 10.164 -3.661 0.719 1.00 0.00 C ATOM 799 NE2 HIS A 49 10.102 -4.536 -0.270 1.00 0.00 N ATOM 0 H HIS A 49 5.541 -6.893 3.762 1.00 0.00 H new ATOM 0 HA HIS A 49 8.244 -6.740 3.644 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.883 -6.468 1.538 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.430 -4.847 2.026 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.651 -6.165 -0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.885 -2.859 0.778 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.713 -4.601 -1.084 1.00 0.00 H new ATOM 807 N VAL A 50 6.760 -3.802 4.404 1.00 0.00 N ATOM 808 CA VAL A 50 6.768 -2.543 5.130 1.00 0.00 C ATOM 809 C VAL A 50 6.816 -2.782 6.656 1.00 0.00 C ATOM 810 O VAL A 50 7.649 -2.153 7.303 1.00 0.00 O ATOM 811 CB VAL A 50 5.766 -1.539 4.558 1.00 0.00 C ATOM 812 CG1 VAL A 50 4.499 -2.235 4.053 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.518 -0.380 5.533 1.00 0.00 C ATOM 0 H VAL A 50 5.830 -4.039 4.058 1.00 0.00 H new ATOM 0 HA VAL A 50 7.700 -2.003 4.961 1.00 0.00 H new ATOM 0 HB VAL A 50 6.201 -1.075 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.810 -1.491 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.762 -2.944 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.022 -2.766 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.801 0.316 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.120 -0.771 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.456 0.140 5.727 1.00 0.00 H new ATOM 823 N ARG A 51 6.037 -3.751 7.269 1.00 0.00 N ATOM 824 CA ARG A 51 6.175 -4.141 8.692 1.00 0.00 C ATOM 825 C ARG A 51 7.527 -4.792 9.101 1.00 0.00 C ATOM 826 O ARG A 51 7.979 -4.618 10.208 1.00 0.00 O ATOM 827 CB ARG A 51 4.974 -4.900 9.354 1.00 0.00 C ATOM 828 CG ARG A 51 3.572 -4.400 8.964 1.00 0.00 C ATOM 829 CD ARG A 51 2.495 -4.663 10.031 1.00 0.00 C ATOM 830 NE ARG A 51 1.327 -3.759 9.730 1.00 0.00 N ATOM 831 CZ ARG A 51 0.041 -3.996 10.135 1.00 0.00 C ATOM 832 NH1 ARG A 51 -0.295 -5.153 10.774 1.00 0.00 N ATOM 833 NH2 ARG A 51 -0.919 -3.057 9.891 1.00 0.00 N ATOM 0 H ARG A 51 5.308 -4.267 6.777 1.00 0.00 H new ATOM 0 HA ARG A 51 6.159 -3.140 9.122 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.048 -5.956 9.094 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.076 -4.830 10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.621 -3.329 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.272 -4.881 8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.185 -5.708 10.013 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.887 -4.463 11.028 1.00 0.00 H new ATOM 0 HE ARG A 51 1.507 -2.914 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.417 -5.860 10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.259 -5.312 11.068 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.675 -2.190 9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.881 -3.222 10.188 1.00 0.00 H new ATOM 847 N ASP A 52 8.296 -5.527 8.264 1.00 0.00 N ATOM 848 CA ASP A 52 9.687 -5.957 8.500 1.00 0.00 C ATOM 849 C ASP A 52 10.749 -4.873 8.291 1.00 0.00 C ATOM 850 O ASP A 52 11.916 -5.088 8.570 1.00 0.00 O ATOM 851 CB ASP A 52 10.121 -7.321 7.852 1.00 0.00 C ATOM 852 CG ASP A 52 10.359 -7.414 6.326 1.00 0.00 C ATOM 853 OD1 ASP A 52 11.112 -6.580 5.759 1.00 0.00 O ATOM 854 OD2 ASP A 52 9.808 -8.371 5.717 1.00 0.00 O ATOM 0 H ASP A 52 7.943 -5.850 7.363 1.00 0.00 H new ATOM 0 HA ASP A 52 9.647 -6.155 9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.042 -7.634 8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.358 -8.057 8.106 1.00 0.00 H new ATOM 859 N SER A 53 10.380 -3.735 7.658 1.00 0.00 N ATOM 860 CA SER A 53 11.213 -2.662 7.140 1.00 0.00 C ATOM 861 C SER A 53 11.580 -1.531 8.061 1.00 0.00 C ATOM 862 O SER A 53 12.455 -0.733 7.728 1.00 0.00 O ATOM 863 CB SER A 53 10.737 -2.075 5.814 1.00 0.00 C ATOM 864 OG SER A 53 10.991 -2.960 4.728 1.00 0.00 O ATOM 0 H SER A 53 9.393 -3.542 7.489 1.00 0.00 H new ATOM 0 HA SER A 53 12.131 -3.233 6.997 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.669 -1.865 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.240 -1.125 5.635 1.00 0.00 H new ATOM 0 HG SER A 53 10.433 -3.760 4.821 1.00 0.00 H new ATOM 870 N LEU A 54 10.903 -1.378 9.225 1.00 0.00 N ATOM 871 CA LEU A 54 11.045 -0.303 10.200 1.00 0.00 C ATOM 872 C LEU A 54 12.402 -0.305 10.917 1.00 0.00 C ATOM 873 O LEU A 54 12.853 0.695 11.469 1.00 0.00 O ATOM 874 CB LEU A 54 9.971 -0.455 11.353 1.00 0.00 C ATOM 875 CG LEU A 54 9.332 -1.823 11.778 1.00 0.00 C ATOM 876 CD1 LEU A 54 7.907 -1.991 11.262 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.135 -3.121 11.699 1.00 0.00 C ATOM 0 H LEU A 54 10.198 -2.056 9.514 1.00 0.00 H new ATOM 0 HA LEU A 54 10.926 0.613 9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.427 -0.039 12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.141 0.199 11.085 1.00 0.00 H new ATOM 0 HG LEU A 54 9.335 -1.680 12.859 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.514 -2.955 11.586 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.280 -1.192 11.658 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.907 -1.946 10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.516 -3.953 12.036 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.446 -3.294 10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.016 -3.043 12.336 1.00 0.00 H new ATOM 889 N ILE A 55 13.021 -1.496 10.874 1.00 0.00 N ATOM 890 CA ILE A 55 14.320 -1.905 11.384 1.00 0.00 C ATOM 891 C ILE A 55 14.597 -3.074 10.458 1.00 0.00 C ATOM 892 O ILE A 55 13.732 -3.924 10.303 1.00 0.00 O ATOM 893 CB ILE A 55 14.318 -2.356 12.852 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.039 -1.248 13.887 1.00 0.00 C ATOM 895 CG2 ILE A 55 15.625 -3.075 13.245 1.00 0.00 C ATOM 896 CD1 ILE A 55 12.624 -1.378 14.432 1.00 0.00 C ATOM 0 H ILE A 55 12.557 -2.284 10.423 1.00 0.00 H new ATOM 0 HA ILE A 55 15.053 -1.098 11.389 1.00 0.00 H new ATOM 0 HB ILE A 55 13.475 -3.046 12.890 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.758 -1.314 14.704 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.170 -0.269 13.426 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.575 -3.374 14.292 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.756 -3.959 12.621 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.469 -2.400 13.100 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.441 -0.589 15.162 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.909 -1.288 13.614 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.507 -2.350 14.911 1.00 0.00 H new ATOM 908 N GLN A 56 15.772 -3.162 9.805 1.00 0.00 N ATOM 909 CA GLN A 56 16.068 -4.169 8.786 1.00 0.00 C ATOM 910 C GLN A 56 16.589 -5.582 9.169 1.00 0.00 C ATOM 911 O GLN A 56 16.246 -6.493 8.418 1.00 0.00 O ATOM 912 CB GLN A 56 16.930 -3.520 7.660 1.00 0.00 C ATOM 913 CG GLN A 56 16.231 -2.320 6.943 1.00 0.00 C ATOM 914 CD GLN A 56 16.356 -0.977 7.681 1.00 0.00 C ATOM 915 OE1 GLN A 56 17.466 -0.491 7.911 1.00 0.00 O ATOM 916 NE2 GLN A 56 15.203 -0.372 8.079 1.00 0.00 N ATOM 0 H GLN A 56 16.548 -2.523 9.978 1.00 0.00 H new ATOM 0 HA GLN A 56 15.067 -4.454 8.463 1.00 0.00 H new ATOM 0 HB2 GLN A 56 17.872 -3.177 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.176 -4.281 6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 56 16.655 -2.213 5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.174 -2.554 6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.303 -0.804 7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.240 0.513 8.585 1.00 0.00 H new ATOM 925 N PRO A 57 17.415 -5.907 10.194 1.00 0.00 N ATOM 926 CA PRO A 57 17.987 -7.255 10.409 1.00 0.00 C ATOM 927 C PRO A 57 17.079 -8.195 11.237 1.00 0.00 C ATOM 928 O PRO A 57 15.906 -8.347 10.928 1.00 0.00 O ATOM 929 CB PRO A 57 19.272 -6.893 11.184 1.00 0.00 C ATOM 930 CG PRO A 57 18.779 -5.770 12.097 1.00 0.00 C ATOM 931 CD PRO A 57 18.023 -4.916 11.076 1.00 0.00 C ATOM 0 HA PRO A 57 18.133 -7.813 9.484 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.661 -7.740 11.750 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.070 -6.560 10.520 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.133 -6.135 12.896 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.597 -5.228 12.571 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.271 -4.288 11.555 1.00 0.00 H new ATOM 0 HD3 PRO A 57 18.694 -4.251 10.532 1.00 0.00 H new ATOM 939 N HIS A 58 17.630 -8.821 12.319 1.00 0.00 N ATOM 940 CA HIS A 58 17.034 -9.769 13.272 1.00 0.00 C ATOM 941 C HIS A 58 16.082 -9.153 14.312 1.00 0.00 C ATOM 942 O HIS A 58 15.182 -9.809 14.828 1.00 0.00 O ATOM 943 CB HIS A 58 18.135 -10.631 13.954 1.00 0.00 C ATOM 944 CG HIS A 58 17.711 -12.038 14.298 1.00 0.00 C ATOM 945 ND1 HIS A 58 16.560 -12.364 14.983 1.00 0.00 N ATOM 946 CD2 HIS A 58 18.320 -13.223 14.014 1.00 0.00 C ATOM 947 CE1 HIS A 58 16.528 -13.717 15.082 1.00 0.00 C ATOM 948 NE2 HIS A 58 17.575 -14.275 14.509 1.00 0.00 N ATOM 0 H HIS A 58 18.606 -8.646 12.558 1.00 0.00 H new ATOM 0 HA HIS A 58 16.391 -10.407 12.666 1.00 0.00 H new ATOM 0 HB2 HIS A 58 19.001 -10.678 13.294 1.00 0.00 H new ATOM 0 HB3 HIS A 58 18.457 -10.129 14.867 1.00 0.00 H new ATOM 0 HD1 HIS A 58 15.865 -11.712 15.346 1.00 0.00 H new ATOM 0 HD2 HIS A 58 19.252 -13.325 13.478 1.00 0.00 H new ATOM 0 HE1 HIS A 58 15.740 -14.270 15.571 1.00 0.00 H new ATOM 956 N ASP A 59 16.291 -7.850 14.637 1.00 0.00 N ATOM 957 CA ASP A 59 15.603 -6.924 15.523 1.00 0.00 C ATOM 958 C ASP A 59 14.477 -6.235 14.786 1.00 0.00 C ATOM 959 O ASP A 59 13.897 -5.278 15.277 1.00 0.00 O ATOM 960 CB ASP A 59 16.575 -5.851 16.088 1.00 0.00 C ATOM 961 CG ASP A 59 17.675 -6.537 16.902 1.00 0.00 C ATOM 962 OD1 ASP A 59 17.337 -7.172 17.936 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.866 -6.433 16.500 1.00 0.00 O ATOM 0 H ASP A 59 17.078 -7.368 14.202 1.00 0.00 H new ATOM 0 HA ASP A 59 15.202 -7.502 16.355 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.015 -5.278 15.272 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.030 -5.145 16.715 1.00 0.00 H new ATOM 968 N ARG A 60 14.169 -6.677 13.534 1.00 0.00 N ATOM 969 CA ARG A 60 13.137 -6.167 12.642 1.00 0.00 C ATOM 970 C ARG A 60 11.739 -6.122 13.202 1.00 0.00 C ATOM 971 O ARG A 60 11.170 -5.061 13.389 1.00 0.00 O ATOM 972 CB ARG A 60 13.138 -6.859 11.245 1.00 0.00 C ATOM 973 CG ARG A 60 12.565 -8.275 11.016 1.00 0.00 C ATOM 974 CD ARG A 60 13.058 -9.315 12.021 1.00 0.00 C ATOM 975 NE ARG A 60 12.613 -10.686 11.594 1.00 0.00 N ATOM 976 CZ ARG A 60 12.597 -11.771 12.430 1.00 0.00 C ATOM 977 NH1 ARG A 60 12.990 -11.664 13.731 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.176 -12.979 11.950 1.00 0.00 N ATOM 0 H ARG A 60 14.681 -7.451 13.111 1.00 0.00 H new ATOM 0 HA ARG A 60 13.435 -5.125 12.522 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.603 -6.194 10.568 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.175 -6.886 10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.477 -8.227 11.062 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.827 -8.604 10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.145 -9.281 12.090 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.668 -9.089 13.013 1.00 0.00 H new ATOM 0 HE ARG A 60 12.306 -10.815 10.630 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.303 -10.765 14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.971 -12.483 14.338 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.878 -13.066 10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.160 -13.794 12.563 1.00 0.00 H new ATOM 992 N LYS A 61 11.157 -7.279 13.596 1.00 0.00 N ATOM 993 CA LYS A 61 9.828 -7.445 14.150 1.00 0.00 C ATOM 994 C LYS A 61 9.537 -6.733 15.452 1.00 0.00 C ATOM 995 O LYS A 61 8.404 -6.376 15.752 1.00 0.00 O ATOM 996 CB LYS A 61 9.084 -8.740 13.752 1.00 0.00 C ATOM 997 CG LYS A 61 7.841 -9.157 14.593 1.00 0.00 C ATOM 998 CD LYS A 61 8.120 -9.783 15.977 1.00 0.00 C ATOM 999 CE LYS A 61 8.690 -11.212 15.966 1.00 0.00 C ATOM 1000 NZ LYS A 61 10.129 -11.245 15.617 1.00 0.00 N ATOM 0 H LYS A 61 11.651 -8.169 13.523 1.00 0.00 H new ATOM 0 HA LYS A 61 9.189 -6.781 13.568 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.766 -8.637 12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.801 -9.561 13.786 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.216 -8.275 14.738 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.258 -9.869 14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.818 -9.138 16.512 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.190 -9.788 16.546 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.547 -11.665 16.947 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.132 -11.817 15.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.618 -11.934 16.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.238 -11.523 14.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.543 -10.302 15.761 1.00 0.00 H new ATOM 1014 N LYS A 62 10.584 -6.446 16.250 1.00 0.00 N ATOM 1015 CA LYS A 62 10.559 -5.650 17.466 1.00 0.00 C ATOM 1016 C LYS A 62 9.908 -4.249 17.408 1.00 0.00 C ATOM 1017 O LYS A 62 9.410 -3.804 18.437 1.00 0.00 O ATOM 1018 CB LYS A 62 12.034 -5.641 17.991 1.00 0.00 C ATOM 1019 CG LYS A 62 12.415 -4.669 19.119 1.00 0.00 C ATOM 1020 CD LYS A 62 13.905 -4.284 19.099 1.00 0.00 C ATOM 1021 CE LYS A 62 14.206 -3.149 18.102 1.00 0.00 C ATOM 1022 NZ LYS A 62 15.639 -2.772 18.131 1.00 0.00 N ATOM 0 H LYS A 62 11.521 -6.790 16.039 1.00 0.00 H new ATOM 0 HA LYS A 62 9.864 -6.120 18.162 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.269 -6.649 18.332 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.685 -5.432 17.142 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.810 -3.766 19.034 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.175 -5.124 20.080 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.211 -3.976 20.099 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.500 -5.159 18.839 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.931 -3.464 17.095 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.594 -2.279 18.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.893 -2.303 17.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.811 -2.122 18.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.220 -3.626 18.251 1.00 0.00 H new ATOM 1036 N MET A 63 9.807 -3.548 16.231 1.00 0.00 N ATOM 1037 CA MET A 63 8.903 -2.398 16.122 1.00 0.00 C ATOM 1038 C MET A 63 7.776 -2.630 15.131 1.00 0.00 C ATOM 1039 O MET A 63 6.985 -1.724 14.891 1.00 0.00 O ATOM 1040 CB MET A 63 9.481 -0.956 16.094 1.00 0.00 C ATOM 1041 CG MET A 63 10.347 -0.627 17.327 1.00 0.00 C ATOM 1042 SD MET A 63 10.502 1.160 17.632 1.00 0.00 S ATOM 1043 CE MET A 63 11.110 1.702 16.007 1.00 0.00 C ATOM 0 H MET A 63 10.330 -3.765 15.383 1.00 0.00 H new ATOM 0 HA MET A 63 8.487 -2.383 17.129 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.080 -0.829 15.192 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.659 -0.243 16.034 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.913 -1.104 18.206 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.341 -1.054 17.190 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.109 2.791 15.963 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.125 1.334 15.857 1.00 0.00 H new ATOM 0 HE3 MET A 63 10.461 1.307 15.225 1.00 0.00 H new ATOM 1053 N LYS A 64 7.570 -3.882 14.591 1.00 0.00 N ATOM 1054 CA LYS A 64 6.421 -4.266 13.759 1.00 0.00 C ATOM 1055 C LYS A 64 5.173 -4.348 14.633 1.00 0.00 C ATOM 1056 O LYS A 64 4.073 -3.971 14.231 1.00 0.00 O ATOM 1057 CB LYS A 64 6.698 -5.622 13.039 1.00 0.00 C ATOM 1058 CG LYS A 64 5.538 -6.613 12.947 1.00 0.00 C ATOM 1059 CD LYS A 64 5.762 -7.747 11.941 1.00 0.00 C ATOM 1060 CE LYS A 64 4.573 -8.713 11.843 1.00 0.00 C ATOM 1061 NZ LYS A 64 4.312 -9.380 13.141 1.00 0.00 N ATOM 0 H LYS A 64 8.224 -4.651 14.739 1.00 0.00 H new ATOM 0 HA LYS A 64 6.260 -3.513 12.988 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.037 -5.404 12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.524 -6.115 13.552 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.364 -7.045 13.933 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.633 -6.072 12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.955 -7.318 10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.653 -8.306 12.226 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.684 -8.168 11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.774 -9.465 11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.021 -10.364 12.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.178 -9.368 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.554 -8.876 13.644 1.00 0.00 H new ATOM 1075 N LYS A 65 5.368 -4.797 15.907 1.00 0.00 N ATOM 1076 CA LYS A 65 4.303 -4.864 16.917 1.00 0.00 C ATOM 1077 C LYS A 65 3.691 -3.485 17.351 1.00 0.00 C ATOM 1078 O LYS A 65 2.476 -3.338 17.487 1.00 0.00 O ATOM 1079 CB LYS A 65 4.750 -5.699 18.145 1.00 0.00 C ATOM 1080 CG LYS A 65 5.102 -7.166 17.811 1.00 0.00 C ATOM 1081 CD LYS A 65 3.913 -7.978 17.260 1.00 0.00 C ATOM 1082 CE LYS A 65 4.235 -9.445 16.937 1.00 0.00 C ATOM 1083 NZ LYS A 65 4.687 -10.185 18.137 1.00 0.00 N ATOM 0 H LYS A 65 6.273 -5.120 16.249 1.00 0.00 H new ATOM 0 HA LYS A 65 3.481 -5.373 16.414 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.618 -5.222 18.600 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.954 -5.687 18.889 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.910 -7.179 17.079 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.478 -7.654 18.710 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.102 -7.950 17.988 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.547 -7.493 16.355 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.350 -9.929 16.523 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.009 -9.487 16.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.797 -11.192 17.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.599 -9.802 18.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.982 -10.081 18.895 1.00 0.00 H new ATOM 1097 N VAL A 66 4.544 -2.409 17.491 1.00 0.00 N ATOM 1098 CA VAL A 66 4.150 -1.000 17.713 1.00 0.00 C ATOM 1099 C VAL A 66 3.645 -0.355 16.424 1.00 0.00 C ATOM 1100 O VAL A 66 2.743 0.483 16.458 1.00 0.00 O ATOM 1101 CB VAL A 66 5.085 -0.104 18.549 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.522 -0.041 18.002 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.494 1.323 18.746 1.00 0.00 C ATOM 0 H VAL A 66 5.557 -2.523 17.448 1.00 0.00 H new ATOM 0 HA VAL A 66 3.315 -1.079 18.409 1.00 0.00 H new ATOM 0 HB VAL A 66 5.151 -0.581 19.527 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.125 0.607 18.638 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.952 -1.043 17.992 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.508 0.358 16.988 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.183 1.923 19.340 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.348 1.794 17.774 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.537 1.252 19.262 1.00 0.00 H new ATOM 1113 N TRP A 67 4.169 -0.761 15.226 1.00 0.00 N ATOM 1114 CA TRP A 67 3.712 -0.350 13.890 1.00 0.00 C ATOM 1115 C TRP A 67 2.239 -0.664 13.590 1.00 0.00 C ATOM 1116 O TRP A 67 1.573 0.100 12.904 1.00 0.00 O ATOM 1117 CB TRP A 67 4.643 -0.883 12.769 1.00 0.00 C ATOM 1118 CG TRP A 67 4.308 -0.473 11.342 1.00 0.00 C ATOM 1119 CD1 TRP A 67 3.983 -1.357 10.373 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.009 0.832 10.813 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.522 -0.712 9.254 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.545 0.636 9.507 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.081 2.083 11.365 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.145 1.682 8.738 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.592 3.125 10.611 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.132 2.923 9.328 1.00 0.00 C ATOM 0 H TRP A 67 4.954 -1.411 15.181 1.00 0.00 H new ATOM 0 HA TRP A 67 3.776 0.738 13.902 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.659 -0.554 12.987 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.644 -1.972 12.818 1.00 0.00 H new ATOM 0 HD1 TRP A 67 4.074 -2.429 10.467 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.216 -1.156 8.388 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.502 2.244 12.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.850 1.544 7.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.568 4.119 11.032 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.750 3.765 8.770 1.00 0.00 H new ATOM 1137 N ASP A 68 1.686 -1.757 14.190 1.00 0.00 N ATOM 1138 CA ASP A 68 0.270 -2.166 14.171 1.00 0.00 C ATOM 1139 C ASP A 68 -0.685 -1.060 14.683 1.00 0.00 C ATOM 1140 O ASP A 68 -1.675 -0.710 14.049 1.00 0.00 O ATOM 1141 CB ASP A 68 0.075 -3.440 15.050 1.00 0.00 C ATOM 1142 CG ASP A 68 0.904 -4.639 14.566 1.00 0.00 C ATOM 1143 OD1 ASP A 68 1.358 -4.638 13.391 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.072 -5.588 15.377 1.00 0.00 O ATOM 0 H ASP A 68 2.259 -2.407 14.728 1.00 0.00 H new ATOM 0 HA ASP A 68 0.019 -2.367 13.130 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.348 -3.209 16.080 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.980 -3.713 15.054 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.308 -0.441 15.837 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.870 0.769 16.440 1.00 0.00 C ATOM 1151 C ARG A 69 -0.414 2.070 15.756 1.00 0.00 C ATOM 1152 O ARG A 69 -1.250 2.893 15.396 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.590 0.752 17.967 1.00 0.00 C ATOM 1154 CG ARG A 69 -1.115 1.941 18.806 1.00 0.00 C ATOM 1155 CD ARG A 69 -2.607 2.261 18.598 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.984 3.413 19.490 1.00 0.00 N ATOM 1157 CZ ARG A 69 -4.181 4.073 19.395 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -5.123 3.689 18.487 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -4.429 5.135 20.218 1.00 0.00 N ATOM 0 H ARG A 69 0.455 -0.815 16.401 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.948 0.759 16.281 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.018 -0.163 18.377 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.489 0.691 18.110 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.946 1.727 19.861 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.529 2.827 18.563 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.797 2.513 17.555 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.216 1.388 18.831 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.317 3.717 20.199 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.941 2.900 17.866 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.009 4.190 18.429 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.726 5.430 20.896 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.317 5.633 20.155 1.00 0.00 H new ATOM 1173 N ALA A 70 0.922 2.281 15.510 1.00 0.00 N ATOM 1174 CA ALA A 70 1.578 3.413 14.836 1.00 0.00 C ATOM 1175 C ALA A 70 1.049 3.778 13.435 1.00 0.00 C ATOM 1176 O ALA A 70 1.046 4.946 13.040 1.00 0.00 O ATOM 1177 CB ALA A 70 3.107 3.400 14.980 1.00 0.00 C ATOM 0 H ALA A 70 1.611 1.592 15.812 1.00 0.00 H new ATOM 0 HA ALA A 70 1.247 4.280 15.408 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.529 4.261 14.461 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.373 3.447 16.036 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.506 2.483 14.546 1.00 0.00 H new ATOM 1183 N VAL A 71 0.537 2.737 12.695 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.264 2.761 11.445 1.00 0.00 C ATOM 1185 C VAL A 71 -1.488 3.670 11.534 1.00 0.00 C ATOM 1186 O VAL A 71 -1.777 4.358 10.564 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.718 1.353 10.984 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.971 1.278 10.074 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.416 0.748 10.159 1.00 0.00 C ATOM 0 H VAL A 71 0.697 1.776 12.998 1.00 0.00 H new ATOM 0 HA VAL A 71 0.421 3.168 10.701 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.971 0.835 11.909 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.178 0.237 9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.827 1.704 10.598 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.790 1.840 9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.128 -0.246 9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.617 1.383 9.296 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.314 0.675 10.773 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.191 3.732 12.717 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.332 4.607 13.065 1.00 0.00 C ATOM 1201 C ASP A 72 -2.978 6.109 12.973 1.00 0.00 C ATOM 1202 O ASP A 72 -3.715 6.924 12.428 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.870 4.214 14.482 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.235 4.824 14.819 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.213 4.536 14.079 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.312 5.584 15.821 1.00 0.00 O ATOM 0 H ASP A 72 -1.944 3.122 13.496 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.122 4.452 12.331 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.943 3.128 14.544 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.147 4.528 15.234 1.00 0.00 H new ATOM 1211 N PHE A 73 -1.757 6.452 13.450 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.068 7.724 13.364 1.00 0.00 C ATOM 1213 C PHE A 73 -0.567 8.056 11.944 1.00 0.00 C ATOM 1214 O PHE A 73 -0.897 9.127 11.437 1.00 0.00 O ATOM 1215 CB PHE A 73 0.064 7.808 14.429 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.247 7.123 15.752 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -1.499 7.093 16.343 1.00 0.00 C ATOM 1218 CD2 PHE A 73 0.783 6.503 16.428 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -1.706 6.448 17.547 1.00 0.00 C ATOM 1220 CE2 PHE A 73 0.598 5.874 17.640 1.00 0.00 C ATOM 1221 CZ PHE A 73 -0.658 5.840 18.203 1.00 0.00 C ATOM 0 H PHE A 73 -1.191 5.766 13.949 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.802 8.498 13.590 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.969 7.366 14.012 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.283 8.858 14.623 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.328 7.583 15.854 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.771 6.511 15.991 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.696 6.420 17.977 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.433 5.411 18.145 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.820 5.343 19.148 1.00 0.00 H new ATOM 1231 N LEU A 74 0.176 7.161 11.207 1.00 0.00 N ATOM 1232 CA LEU A 74 0.517 7.417 9.776 1.00 0.00 C ATOM 1233 C LEU A 74 -0.681 7.418 8.794 1.00 0.00 C ATOM 1234 O LEU A 74 -0.849 8.385 8.049 1.00 0.00 O ATOM 1235 CB LEU A 74 1.626 6.479 9.210 1.00 0.00 C ATOM 1236 CG LEU A 74 2.341 7.084 7.968 1.00 0.00 C ATOM 1237 CD1 LEU A 74 3.487 8.018 8.361 1.00 0.00 C ATOM 1238 CD2 LEU A 74 2.853 6.053 6.952 1.00 0.00 C ATOM 0 H LEU A 74 0.538 6.281 11.576 1.00 0.00 H new ATOM 0 HA LEU A 74 0.900 8.436 9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.363 6.281 9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.183 5.520 8.939 1.00 0.00 H new ATOM 0 HG LEU A 74 1.554 7.652 7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.956 8.416 7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.097 8.840 8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.225 7.464 8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.336 6.569 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.572 5.391 7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.015 5.466 6.576 1.00 0.00 H new ATOM 1250 N ALA A 75 -1.582 6.379 8.769 1.00 0.00 N ATOM 1251 CA ALA A 75 -2.770 6.300 7.907 1.00 0.00 C ATOM 1252 C ALA A 75 -3.825 7.422 8.027 1.00 0.00 C ATOM 1253 O ALA A 75 -4.672 7.571 7.150 1.00 0.00 O ATOM 1254 CB ALA A 75 -3.432 4.910 8.007 1.00 0.00 C ATOM 0 H ALA A 75 -1.481 5.562 9.371 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.355 6.465 6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.309 4.877 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.721 4.145 7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.735 4.724 9.038 1.00 0.00 H new ATOM 1260 N ALA A 76 -3.742 8.281 9.090 1.00 0.00 N ATOM 1261 CA ALA A 76 -4.537 9.471 9.339 1.00 0.00 C ATOM 1262 C ALA A 76 -4.196 10.648 8.412 1.00 0.00 C ATOM 1263 O ALA A 76 -4.988 11.569 8.262 1.00 0.00 O ATOM 1264 CB ALA A 76 -4.368 9.897 10.815 1.00 0.00 C ATOM 0 H ALA A 76 -3.061 8.126 9.833 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.573 9.209 9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.963 10.790 11.006 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.704 9.091 11.467 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.318 10.111 11.014 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.013 10.627 7.746 1.00 0.00 N ATOM 1271 CA ASN A 77 -2.620 11.620 6.750 1.00 0.00 C ATOM 1272 C ASN A 77 -1.760 11.066 5.602 1.00 0.00 C ATOM 1273 O ASN A 77 -1.697 11.694 4.544 1.00 0.00 O ATOM 1274 CB ASN A 77 -2.039 12.931 7.374 1.00 0.00 C ATOM 1275 CG ASN A 77 -0.745 12.743 8.172 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -0.067 11.714 8.136 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -0.355 13.829 8.886 1.00 0.00 N ATOM 0 H ASN A 77 -2.307 9.906 7.897 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.559 11.906 6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.855 13.647 6.573 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.792 13.370 8.028 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.519 13.807 9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.936 14.667 8.898 1.00 0.00 H new ATOM 1284 N GLU A 78 -1.059 9.910 5.773 1.00 0.00 N ATOM 1285 CA GLU A 78 -0.172 9.369 4.754 1.00 0.00 C ATOM 1286 C GLU A 78 -0.218 7.845 4.682 1.00 0.00 C ATOM 1287 O GLU A 78 0.257 7.113 5.551 1.00 0.00 O ATOM 1288 CB GLU A 78 1.284 9.871 4.978 1.00 0.00 C ATOM 1289 CG GLU A 78 2.272 9.538 3.842 1.00 0.00 C ATOM 1290 CD GLU A 78 3.606 10.243 4.091 1.00 0.00 C ATOM 1291 OE1 GLU A 78 4.231 9.975 5.152 1.00 0.00 O ATOM 1292 OE2 GLU A 78 4.022 11.057 3.223 1.00 0.00 O ATOM 0 H GLU A 78 -1.106 9.346 6.621 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.529 9.736 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.262 10.952 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.662 9.440 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.425 8.460 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.858 9.852 2.884 1.00 0.00 H new ATOM 1299 N SER A 79 -0.762 7.327 3.560 1.00 0.00 N ATOM 1300 CA SER A 79 -0.795 5.920 3.158 1.00 0.00 C ATOM 1301 C SER A 79 -1.520 5.903 1.825 1.00 0.00 C ATOM 1302 O SER A 79 -2.659 6.348 1.725 1.00 0.00 O ATOM 1303 CB SER A 79 -1.427 4.895 4.150 1.00 0.00 C ATOM 1304 OG SER A 79 -0.510 4.607 5.207 1.00 0.00 O ATOM 0 H SER A 79 -1.217 7.926 2.872 1.00 0.00 H new ATOM 0 HA SER A 79 0.236 5.569 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.353 5.298 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.685 3.977 3.622 1.00 0.00 H new ATOM 0 HG SER A 79 0.019 5.407 5.408 1.00 0.00 H new ATOM 1310 N ARG A 80 -0.845 5.432 0.745 1.00 0.00 N ATOM 1311 CA ARG A 80 -1.346 5.406 -0.636 1.00 0.00 C ATOM 1312 C ARG A 80 -1.286 3.991 -1.221 1.00 0.00 C ATOM 1313 O ARG A 80 -1.720 3.722 -2.339 1.00 0.00 O ATOM 1314 CB ARG A 80 -0.574 6.461 -1.475 1.00 0.00 C ATOM 1315 CG ARG A 80 -1.011 6.686 -2.940 1.00 0.00 C ATOM 1316 CD ARG A 80 -0.106 7.669 -3.703 1.00 0.00 C ATOM 1317 NE ARG A 80 -0.148 9.010 -3.016 1.00 0.00 N ATOM 1318 CZ ARG A 80 0.871 9.925 -3.063 1.00 0.00 C ATOM 1319 NH1 ARG A 80 2.021 9.666 -3.750 1.00 0.00 N ATOM 1320 NH2 ARG A 80 0.734 11.112 -2.404 1.00 0.00 N ATOM 0 H ARG A 80 0.097 5.048 0.825 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.401 5.679 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.644 7.417 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.479 6.178 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.016 5.729 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.034 7.061 -2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.917 7.293 -3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.441 7.765 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.985 9.251 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.133 8.779 -4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.768 10.360 -3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.120 11.311 -1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.486 11.801 -2.432 1.00 0.00 H new ATOM 1334 N VAL A 81 -0.791 3.020 -0.404 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.794 1.586 -0.659 1.00 0.00 C ATOM 1336 C VAL A 81 -2.140 0.952 -0.258 1.00 0.00 C ATOM 1337 O VAL A 81 -2.705 1.266 0.794 1.00 0.00 O ATOM 1338 CB VAL A 81 0.351 0.920 0.089 1.00 0.00 C ATOM 1339 CG1 VAL A 81 1.615 1.123 -0.742 1.00 0.00 C ATOM 1340 CG2 VAL A 81 0.544 1.539 1.487 1.00 0.00 C ATOM 0 H VAL A 81 -0.361 3.248 0.492 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.657 1.430 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 81 0.133 -0.139 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.461 0.658 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.483 0.667 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.805 2.190 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.370 1.041 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.768 2.601 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.369 1.414 2.070 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.693 0.051 -1.118 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.987 -0.587 -0.924 1.00 0.00 C ATOM 1352 C ARG A 82 -3.796 -2.013 -0.464 1.00 0.00 C ATOM 1353 O ARG A 82 -2.833 -2.675 -0.851 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.859 -0.562 -2.222 1.00 0.00 C ATOM 1355 CG ARG A 82 -4.375 -1.456 -3.386 1.00 0.00 C ATOM 1356 CD ARG A 82 -5.370 -1.623 -4.548 1.00 0.00 C ATOM 1357 NE ARG A 82 -5.668 -0.296 -5.179 1.00 0.00 N ATOM 1358 CZ ARG A 82 -6.410 -0.170 -6.323 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -6.912 -1.269 -6.959 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -6.649 1.073 -6.837 1.00 0.00 N ATOM 0 H ARG A 82 -2.227 -0.244 -1.976 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.518 -0.019 -0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.874 -0.861 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.913 0.466 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.448 -1.039 -3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.137 -2.443 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.957 -2.302 -5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.293 -2.074 -4.183 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.303 0.548 -4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.736 -2.201 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.463 -1.158 -7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.276 1.899 -6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.201 1.175 -7.689 1.00 0.00 H new ATOM 1374 N THR A 83 -4.749 -2.520 0.357 1.00 0.00 N ATOM 1375 CA THR A 83 -4.833 -3.898 0.843 1.00 0.00 C ATOM 1376 C THR A 83 -5.809 -4.615 -0.062 1.00 0.00 C ATOM 1377 O THR A 83 -7.003 -4.316 -0.092 1.00 0.00 O ATOM 1378 CB THR A 83 -5.249 -4.131 2.307 1.00 0.00 C ATOM 1379 OG1 THR A 83 -5.475 -2.919 3.009 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.095 -4.852 3.016 1.00 0.00 C ATOM 0 H THR A 83 -5.512 -1.941 0.709 1.00 0.00 H new ATOM 0 HA THR A 83 -3.810 -4.274 0.819 1.00 0.00 H new ATOM 0 HB THR A 83 -6.175 -4.706 2.301 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.738 -3.119 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.363 -5.030 4.057 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.903 -5.805 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.198 -4.234 2.973 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.297 -5.591 -0.831 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.063 -6.356 -1.789 1.00 0.00 C ATOM 1390 C GLU A 84 -5.988 -7.799 -1.358 1.00 0.00 C ATOM 1391 O GLU A 84 -4.953 -8.240 -0.856 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.459 -6.126 -3.206 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.226 -6.820 -4.349 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.647 -6.370 -5.689 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -5.729 -5.148 -5.989 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.125 -7.241 -6.435 1.00 0.00 O ATOM 0 H GLU A 84 -4.315 -5.865 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.109 -6.053 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.428 -5.055 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.428 -6.481 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.147 -7.903 -4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.286 -6.571 -4.295 1.00 0.00 H new ATOM 1403 N THR A 85 -7.082 -8.590 -1.548 1.00 0.00 N ATOM 1404 CA THR A 85 -7.098 -10.025 -1.273 1.00 0.00 C ATOM 1405 C THR A 85 -6.793 -10.695 -2.611 1.00 0.00 C ATOM 1406 O THR A 85 -7.589 -10.635 -3.549 1.00 0.00 O ATOM 1407 CB THR A 85 -8.416 -10.492 -0.671 1.00 0.00 C ATOM 1408 OG1 THR A 85 -8.806 -9.632 0.395 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.270 -11.916 -0.101 1.00 0.00 C ATOM 0 H THR A 85 -7.971 -8.233 -1.898 1.00 0.00 H new ATOM 0 HA THR A 85 -6.359 -10.292 -0.518 1.00 0.00 H new ATOM 0 HB THR A 85 -9.167 -10.477 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.656 -9.943 0.772 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.220 -12.236 0.326 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.982 -12.600 -0.900 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.504 -11.921 0.674 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.595 -11.312 -2.745 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.109 -11.792 -4.025 1.00 0.00 C ATOM 1419 C ARG A 86 -4.268 -13.018 -3.752 1.00 0.00 C ATOM 1420 O ARG A 86 -3.653 -13.125 -2.691 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.305 -10.641 -4.715 1.00 0.00 C ATOM 1422 CG ARG A 86 -3.783 -10.887 -6.145 1.00 0.00 C ATOM 1423 CD ARG A 86 -4.896 -11.169 -7.168 1.00 0.00 C ATOM 1424 NE ARG A 86 -4.280 -11.358 -8.530 1.00 0.00 N ATOM 1425 CZ ARG A 86 -3.860 -12.566 -9.022 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -3.999 -13.712 -8.294 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -3.293 -12.624 -10.263 1.00 0.00 N ATOM 0 H ARG A 86 -4.957 -11.481 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.913 -12.072 -4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.940 -9.756 -4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.450 -10.404 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.215 -10.015 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.093 -11.730 -6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.453 -12.061 -6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.606 -10.342 -7.188 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.169 -10.535 -9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.422 -13.679 -7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.680 -14.602 -8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.185 -11.773 -10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.977 -13.518 -10.638 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.257 -13.989 -4.708 1.00 0.00 N ATOM 1442 CA ARG A 87 -3.593 -15.288 -4.647 1.00 0.00 C ATOM 1443 C ARG A 87 -2.125 -15.267 -5.090 1.00 0.00 C ATOM 1444 O ARG A 87 -1.826 -14.938 -6.234 1.00 0.00 O ATOM 1445 CB ARG A 87 -4.400 -16.306 -5.505 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.095 -17.802 -5.265 1.00 0.00 C ATOM 1447 CD ARG A 87 -3.580 -18.565 -6.499 1.00 0.00 C ATOM 1448 NE ARG A 87 -2.177 -18.118 -6.806 1.00 0.00 N ATOM 1449 CZ ARG A 87 -1.385 -18.696 -7.761 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -1.838 -19.740 -8.512 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -0.120 -18.220 -7.956 1.00 0.00 N ATOM 0 H ARG A 87 -4.749 -13.860 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.574 -15.585 -3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.462 -16.140 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.219 -16.085 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.354 -17.884 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.002 -18.290 -4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.600 -19.639 -6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.229 -18.378 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.793 -17.339 -6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.780 -20.102 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.234 -20.159 -9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.225 -17.442 -7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.480 -18.642 -8.665 1.00 0.00 H new ATOM 1465 N ILE A 88 -1.162 -15.636 -4.206 1.00 0.00 N ATOM 1466 CA ILE A 88 0.273 -15.662 -4.504 1.00 0.00 C ATOM 1467 C ILE A 88 0.847 -16.941 -3.930 1.00 0.00 C ATOM 1468 O ILE A 88 0.644 -17.252 -2.759 1.00 0.00 O ATOM 1469 CB ILE A 88 1.063 -14.426 -4.032 1.00 0.00 C ATOM 1470 CG1 ILE A 88 0.674 -13.901 -2.617 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.903 -13.357 -5.131 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -0.343 -12.747 -2.607 1.00 0.00 C ATOM 0 H ILE A 88 -1.377 -15.927 -3.252 1.00 0.00 H new ATOM 0 HA ILE A 88 0.380 -15.632 -5.588 1.00 0.00 H new ATOM 0 HB ILE A 88 2.109 -14.702 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.266 -14.730 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.579 -13.572 -2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.446 -12.457 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.303 -13.739 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.153 -13.119 -5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.549 -12.452 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.066 -11.897 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.268 -13.073 -3.083 1.00 0.00 H new ATOM 1484 N GLY A 89 1.532 -17.772 -4.782 1.00 0.00 N ATOM 1485 CA GLY A 89 2.116 -19.101 -4.407 1.00 0.00 C ATOM 1486 C GLY A 89 1.088 -20.160 -4.064 1.00 0.00 C ATOM 1487 O GLY A 89 1.369 -21.121 -3.359 1.00 0.00 O ATOM 0 H GLY A 89 1.694 -17.532 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.730 -19.461 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.779 -18.965 -3.553 1.00 0.00 H new ATOM 1491 N GLY A 90 -0.162 -19.947 -4.540 1.00 0.00 N ATOM 1492 CA GLY A 90 -1.342 -20.765 -4.221 1.00 0.00 C ATOM 1493 C GLY A 90 -2.141 -20.296 -3.018 1.00 0.00 C ATOM 1494 O GLY A 90 -3.074 -20.989 -2.625 1.00 0.00 O ATOM 0 H GLY A 90 -0.376 -19.178 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.999 -20.783 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.018 -21.791 -4.046 1.00 0.00 H new ATOM 1498 N ALA A 91 -1.829 -19.133 -2.370 1.00 0.00 N ATOM 1499 CA ALA A 91 -2.528 -18.709 -1.167 1.00 0.00 C ATOM 1500 C ALA A 91 -2.958 -17.250 -1.293 1.00 0.00 C ATOM 1501 O ALA A 91 -2.204 -16.406 -1.772 1.00 0.00 O ATOM 1502 CB ALA A 91 -1.595 -18.912 0.045 1.00 0.00 C ATOM 0 H ALA A 91 -1.098 -18.492 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.429 -19.306 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.107 -18.598 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.326 -19.965 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.692 -18.316 -0.087 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.208 -16.913 -0.865 1.00 0.00 N ATOM 1509 CA ASP A 92 -4.820 -15.590 -0.884 1.00 0.00 C ATOM 1510 C ASP A 92 -4.651 -14.864 0.457 1.00 0.00 C ATOM 1511 O ASP A 92 -5.141 -15.323 1.487 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.310 -15.600 -1.366 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.250 -16.493 -0.540 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.084 -17.741 -0.579 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.155 -15.929 0.133 1.00 0.00 O ATOM 0 H ASP A 92 -4.838 -17.615 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.274 -15.019 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.691 -14.579 -1.345 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.339 -15.929 -2.405 1.00 0.00 H new ATOM 1520 N PHE A 93 -3.934 -13.719 0.480 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.666 -12.946 1.686 1.00 0.00 C ATOM 1522 C PHE A 93 -4.166 -11.559 1.403 1.00 0.00 C ATOM 1523 O PHE A 93 -4.470 -11.223 0.258 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.129 -12.798 1.983 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.467 -14.150 2.079 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -1.641 -14.975 3.177 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -0.668 -14.595 1.041 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.030 -16.217 3.227 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.066 -15.832 1.079 1.00 0.00 C ATOM 1530 CZ PHE A 93 -0.242 -16.646 2.177 1.00 0.00 C ATOM 0 H PHE A 93 -3.524 -13.310 -0.359 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.137 -13.445 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.657 -12.213 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.986 -12.251 2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.258 -14.648 4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.513 -13.958 0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.170 -16.852 4.089 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.543 -16.164 0.251 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.234 -17.615 2.216 1.00 0.00 H new ATOM 1540 N LEU A 94 -4.108 -10.673 2.442 1.00 0.00 N ATOM 1541 CA LEU A 94 -4.248 -9.234 2.304 1.00 0.00 C ATOM 1542 C LEU A 94 -2.803 -8.788 2.053 1.00 0.00 C ATOM 1543 O LEU A 94 -1.921 -8.908 2.901 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.918 -8.612 3.559 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.455 -8.517 3.381 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -7.175 -8.698 4.729 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.976 -7.222 2.724 1.00 0.00 C ATOM 0 H LEU A 94 -3.959 -10.969 3.407 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.908 -8.909 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.687 -9.217 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.507 -7.619 3.740 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.683 -9.327 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.252 -8.627 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.930 -9.676 5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.853 -7.919 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.063 -7.264 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.686 -6.364 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.548 -7.122 1.727 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.546 -8.349 0.803 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.239 -7.999 0.262 1.00 0.00 C ATOM 1561 C VAL A 95 -1.306 -6.491 0.129 1.00 0.00 C ATOM 1562 O VAL A 95 -2.328 -5.945 -0.301 1.00 0.00 O ATOM 1563 CB VAL A 95 -0.954 -8.784 -1.043 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -2.153 -8.923 -2.015 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.223 -8.212 -1.852 1.00 0.00 C ATOM 0 H VAL A 95 -3.291 -8.227 0.117 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.391 -8.277 0.888 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.713 -9.773 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.845 -9.489 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.968 -9.446 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.490 -7.933 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.369 -8.808 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.006 -7.181 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.129 -8.242 -1.247 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.224 -5.769 0.534 1.00 0.00 N ATOM 1576 CA TRP A 96 -0.266 -4.288 0.496 1.00 0.00 C ATOM 1577 C TRP A 96 0.540 -3.929 -0.764 1.00 0.00 C ATOM 1578 O TRP A 96 1.634 -4.453 -0.983 1.00 0.00 O ATOM 1579 CB TRP A 96 0.419 -3.835 1.815 1.00 0.00 C ATOM 1580 CG TRP A 96 -0.099 -2.608 2.543 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -1.085 -1.710 2.252 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.472 -2.192 3.790 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -1.098 -0.701 3.188 1.00 0.00 N ATOM 1584 CE2 TRP A 96 -0.114 -0.977 4.127 1.00 0.00 C ATOM 1585 CE3 TRP A 96 1.426 -2.772 4.574 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.338 -0.269 5.211 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 1.833 -2.097 5.703 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.357 -0.831 5.966 1.00 0.00 C ATOM 0 H TRP A 96 0.649 -6.170 0.875 1.00 0.00 H new ATOM 0 HA TRP A 96 -1.248 -3.819 0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 96 0.372 -4.672 2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.472 -3.663 1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.757 -1.781 1.410 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.721 0.107 3.191 1.00 0.00 H new ATOM 0 HE3 TRP A 96 1.849 -3.732 4.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.084 0.691 5.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.529 -2.562 6.386 1.00 0.00 H new ATOM 0 HH2 TRP A 96 1.787 -0.264 6.778 1.00 0.00 H new ATOM 1599 N ARG A 97 0.042 -3.079 -1.696 1.00 0.00 N ATOM 1600 CA ARG A 97 0.708 -2.908 -2.986 1.00 0.00 C ATOM 1601 C ARG A 97 0.750 -1.436 -3.321 1.00 0.00 C ATOM 1602 O ARG A 97 -0.214 -0.735 -2.997 1.00 0.00 O ATOM 1603 CB ARG A 97 -0.029 -3.734 -4.083 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.462 -3.275 -4.429 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.187 -4.115 -5.490 1.00 0.00 C ATOM 1606 NE ARG A 97 -1.562 -3.813 -6.824 1.00 0.00 N ATOM 1607 CZ ARG A 97 -2.131 -4.128 -8.028 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -3.351 -4.735 -8.093 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -1.460 -3.834 -9.181 1.00 0.00 N ATOM 0 H ARG A 97 -0.801 -2.518 -1.572 1.00 0.00 H new ATOM 0 HA ARG A 97 1.731 -3.280 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.570 -3.707 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.070 -4.774 -3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.057 -3.282 -3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.420 -2.242 -4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.101 -5.177 -5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.251 -3.877 -5.504 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.656 -3.344 -6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.854 -4.961 -7.235 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.760 -4.962 -8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.545 -3.385 -9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.874 -4.064 -10.085 1.00 0.00 H new ATOM 1623 N TRP A 98 1.858 -0.909 -3.946 1.00 0.00 N ATOM 1624 CA TRP A 98 2.005 0.523 -4.253 1.00 0.00 C ATOM 1625 C TRP A 98 1.420 0.950 -5.602 1.00 0.00 C ATOM 1626 O TRP A 98 1.856 0.492 -6.649 1.00 0.00 O ATOM 1627 CB TRP A 98 3.496 0.999 -4.027 1.00 0.00 C ATOM 1628 CG TRP A 98 3.655 2.509 -3.881 1.00 0.00 C ATOM 1629 CD1 TRP A 98 3.467 3.440 -4.844 1.00 0.00 C ATOM 1630 CD2 TRP A 98 3.601 3.236 -2.649 1.00 0.00 C ATOM 1631 NE1 TRP A 98 2.933 4.565 -4.296 1.00 0.00 N ATOM 1632 CE2 TRP A 98 3.029 4.470 -2.941 1.00 0.00 C ATOM 1633 CE3 TRP A 98 3.944 2.893 -1.386 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 2.772 5.382 -1.967 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 3.583 3.774 -0.398 1.00 0.00 C ATOM 1636 CH2 TRP A 98 3.039 5.012 -0.671 1.00 0.00 C ATOM 0 H TRP A 98 2.654 -1.475 -4.240 1.00 0.00 H new ATOM 0 HA TRP A 98 1.381 1.055 -3.536 1.00 0.00 H new ATOM 0 HB2 TRP A 98 3.888 0.515 -3.132 1.00 0.00 H new ATOM 0 HB3 TRP A 98 4.105 0.660 -4.865 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.705 3.310 -5.889 1.00 0.00 H new ATOM 0 HE1 TRP A 98 2.529 5.347 -4.812 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.472 1.977 -1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.374 6.358 -2.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.730 3.487 0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 98 2.822 5.694 0.138 1.00 0.00 H new ATOM 1647 N ILE A 99 0.437 1.894 -5.606 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.210 2.464 -6.784 1.00 0.00 C ATOM 1649 C ILE A 99 0.246 3.916 -6.958 1.00 0.00 C ATOM 1650 O ILE A 99 0.513 4.615 -5.978 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.739 2.319 -6.709 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.343 2.889 -5.397 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.058 0.812 -6.870 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.874 2.886 -5.378 1.00 0.00 C ATOM 0 H ILE A 99 0.070 2.285 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 99 0.093 1.910 -7.672 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.198 2.907 -7.504 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.976 2.305 -4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.988 3.910 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.137 0.661 -6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.684 0.462 -7.832 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.578 0.251 -6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.227 3.297 -4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.249 3.494 -6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.237 1.864 -5.487 1.00 0.00 H new ATOM 1666 N GLN A 100 0.378 4.365 -8.243 1.00 0.00 N ATOM 1667 CA GLN A 100 0.881 5.685 -8.637 1.00 0.00 C ATOM 1668 C GLN A 100 0.175 6.277 -9.860 1.00 0.00 C ATOM 1669 O GLN A 100 0.452 5.851 -10.984 1.00 0.00 O ATOM 1670 CB GLN A 100 2.423 5.615 -8.841 1.00 0.00 C ATOM 1671 CG GLN A 100 3.137 6.219 -7.612 1.00 0.00 C ATOM 1672 CD GLN A 100 2.897 7.736 -7.512 1.00 0.00 C ATOM 1673 OE1 GLN A 100 3.336 8.444 -8.582 1.00 0.00 O flip ATOM 1674 NE2 GLN A 100 2.328 8.267 -6.557 1.00 0.00 N flip ATOM 0 H GLN A 100 0.125 3.788 -9.045 1.00 0.00 H new ATOM 0 HA GLN A 100 0.652 6.373 -7.823 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.734 4.580 -8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.706 6.159 -9.742 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.778 5.732 -6.705 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.207 6.022 -7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.013 7.699 -5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.172 9.275 -6.552 1.00 0.00 H new