USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=17 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 HE2:sc= -1.63 K(o=-7.1,f=-14!) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.722 K(o=-7.1,f=-7.6) USER MOD Set 1.3: A 45 MET CE :methyl -176:sc= -2.29 (180deg=-0.938) USER MOD Set 1.4: A 49 HIS : no HD1:sc= -2.43 K(o=-7.1,f=-8.1!) USER MOD Set 2.1: A 20 MET CE :methyl 162:sc= -1.66 (180deg=-1.94) USER MOD Set 2.2: A 23 LYS NZ :NH3+ -163:sc= -0.707 (180deg=-0.848) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.15! C(o=-1.1!,f=-3.9!) USER MOD Single : A 35 CYS SG : rot -68:sc= -1.58 USER MOD Single : A 36 GLN : amide:sc= 0.504 K(o=0.5,f=-0.044) USER MOD Single : A 38 ASN : amide:sc= -1.36 K(o=-1.4,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= 0.00828 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -42:sc= 0.407 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.0155 (180deg=-0.213) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 158:sc= -0.648 (180deg=-2.64!) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= -0.0105 (180deg=-0.136) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.076) USER MOD Single : A 77 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.222 USER MOD Single : A 83 THR OG1 : rot -65:sc= 1.47 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -3.74! C(o=-3.7!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.978 10.399 15.874 1.00 0.00 N ATOM 285 CA TYR A 18 6.093 11.330 15.917 1.00 0.00 C ATOM 286 C TYR A 18 7.455 10.659 16.268 1.00 0.00 C ATOM 287 O TYR A 18 8.527 11.200 16.003 1.00 0.00 O ATOM 288 CB TYR A 18 5.694 12.556 16.814 1.00 0.00 C ATOM 289 CG TYR A 18 4.243 13.000 16.532 1.00 0.00 C ATOM 290 CD1 TYR A 18 3.924 13.560 15.302 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.188 12.830 17.432 1.00 0.00 C ATOM 292 CE1 TYR A 18 2.633 13.946 14.986 1.00 0.00 C ATOM 293 CE2 TYR A 18 1.885 13.192 17.102 1.00 0.00 C ATOM 294 CZ TYR A 18 1.603 13.763 15.883 1.00 0.00 C ATOM 295 OH TYR A 18 0.287 14.180 15.550 1.00 0.00 O ATOM 0 HA TYR A 18 6.286 11.710 14.914 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.799 12.291 17.866 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.375 13.386 16.625 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.706 13.698 14.570 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.388 12.408 18.406 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.430 14.396 14.025 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.087 13.023 17.810 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.319 13.976 16.293 1.00 0.00 H new ATOM 305 N ASP A 19 7.387 9.411 16.839 1.00 0.00 N ATOM 306 CA ASP A 19 8.480 8.473 17.122 1.00 0.00 C ATOM 307 C ASP A 19 8.609 7.435 15.984 1.00 0.00 C ATOM 308 O ASP A 19 9.089 7.789 14.912 1.00 0.00 O ATOM 309 CB ASP A 19 8.353 7.766 18.504 1.00 0.00 C ATOM 310 CG ASP A 19 8.231 8.817 19.611 1.00 0.00 C ATOM 311 OD1 ASP A 19 9.196 9.607 19.788 1.00 0.00 O ATOM 312 OD2 ASP A 19 7.169 8.843 20.289 1.00 0.00 O ATOM 0 H ASP A 19 6.488 9.025 17.128 1.00 0.00 H new ATOM 0 HA ASP A 19 9.391 9.070 17.173 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.480 7.113 18.511 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.224 7.135 18.682 1.00 0.00 H new ATOM 317 N MET A 20 8.175 6.131 16.129 1.00 0.00 N ATOM 318 CA MET A 20 8.340 5.001 15.162 1.00 0.00 C ATOM 319 C MET A 20 7.826 5.215 13.738 1.00 0.00 C ATOM 320 O MET A 20 8.303 4.623 12.783 1.00 0.00 O ATOM 321 CB MET A 20 7.938 3.561 15.684 1.00 0.00 C ATOM 322 CG MET A 20 7.696 2.387 14.670 1.00 0.00 C ATOM 323 SD MET A 20 9.142 1.458 14.041 1.00 0.00 S ATOM 324 CE MET A 20 10.030 2.285 12.675 1.00 0.00 C ATOM 0 H MET A 20 7.677 5.836 16.969 1.00 0.00 H new ATOM 0 HA MET A 20 9.428 5.023 15.093 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.720 3.237 16.371 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.026 3.674 16.270 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.025 1.672 15.146 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.167 2.797 13.810 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.026 1.854 12.575 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.479 2.145 11.745 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.116 3.350 12.889 1.00 0.00 H new ATOM 334 N VAL A 21 6.832 6.090 13.490 1.00 0.00 N ATOM 335 CA VAL A 21 6.319 6.290 12.096 1.00 0.00 C ATOM 336 C VAL A 21 7.272 7.022 11.143 1.00 0.00 C ATOM 337 O VAL A 21 7.313 6.708 9.950 1.00 0.00 O ATOM 338 CB VAL A 21 4.854 6.770 12.097 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.554 7.993 11.180 1.00 0.00 C ATOM 340 CG2 VAL A 21 3.910 5.565 11.893 1.00 0.00 C ATOM 0 H VAL A 21 6.373 6.658 14.202 1.00 0.00 H new ATOM 0 HA VAL A 21 6.299 5.305 11.631 1.00 0.00 H new ATOM 0 HB VAL A 21 4.654 7.189 13.083 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.498 8.251 11.252 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.158 8.843 11.498 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.796 7.742 10.147 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.876 5.909 11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.132 5.086 10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.055 4.848 12.701 1.00 0.00 H new ATOM 350 N VAL A 22 8.094 7.986 11.658 1.00 0.00 N ATOM 351 CA VAL A 22 9.096 8.803 10.943 1.00 0.00 C ATOM 352 C VAL A 22 10.142 8.030 10.103 1.00 0.00 C ATOM 353 O VAL A 22 10.526 8.458 9.021 1.00 0.00 O ATOM 354 CB VAL A 22 9.770 9.784 11.915 1.00 0.00 C ATOM 355 CG1 VAL A 22 10.831 10.686 11.240 1.00 0.00 C ATOM 356 CG2 VAL A 22 8.688 10.670 12.569 1.00 0.00 C ATOM 0 H VAL A 22 8.063 8.220 12.650 1.00 0.00 H new ATOM 0 HA VAL A 22 8.524 9.346 10.190 1.00 0.00 H new ATOM 0 HB VAL A 22 10.294 9.185 12.660 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.267 11.354 11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.615 10.064 10.807 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.360 11.276 10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.159 11.369 13.260 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.157 11.226 11.796 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.983 10.041 13.113 1.00 0.00 H new ATOM 366 N LYS A 23 10.613 6.846 10.575 1.00 0.00 N ATOM 367 CA LYS A 23 11.495 5.896 9.883 1.00 0.00 C ATOM 368 C LYS A 23 10.820 5.077 8.774 1.00 0.00 C ATOM 369 O LYS A 23 11.432 4.737 7.768 1.00 0.00 O ATOM 370 CB LYS A 23 12.209 4.913 10.854 1.00 0.00 C ATOM 371 CG LYS A 23 13.245 5.557 11.799 1.00 0.00 C ATOM 372 CD LYS A 23 12.677 6.495 12.878 1.00 0.00 C ATOM 373 CE LYS A 23 11.508 5.917 13.685 1.00 0.00 C ATOM 374 NZ LYS A 23 11.921 4.684 14.395 1.00 0.00 N ATOM 0 H LYS A 23 10.366 6.518 11.509 1.00 0.00 H new ATOM 0 HA LYS A 23 12.228 6.551 9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.453 4.411 11.458 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.708 4.144 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.802 4.761 12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.959 6.118 11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.479 6.761 13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.349 7.418 12.400 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.156 6.656 14.404 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.673 5.697 13.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.076 4.155 14.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.494 4.093 13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.483 4.937 15.232 1.00 0.00 H new ATOM 388 N ILE A 24 9.521 4.699 8.936 1.00 0.00 N ATOM 389 CA ILE A 24 8.717 3.925 7.971 1.00 0.00 C ATOM 390 C ILE A 24 8.217 4.718 6.778 1.00 0.00 C ATOM 391 O ILE A 24 8.189 4.205 5.665 1.00 0.00 O ATOM 392 CB ILE A 24 7.811 2.848 8.561 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.657 1.536 8.770 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.483 2.645 7.759 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.908 0.473 9.568 1.00 0.00 C ATOM 0 H ILE A 24 8.994 4.938 9.776 1.00 0.00 H new ATOM 0 HA ILE A 24 9.441 3.271 7.484 1.00 0.00 H new ATOM 0 HB ILE A 24 7.452 3.175 9.537 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.932 1.128 7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.585 1.785 9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.887 1.865 8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.918 3.577 7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.717 2.351 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.539 -0.409 9.681 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.656 0.867 10.552 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.994 0.200 9.041 1.00 0.00 H new ATOM 407 N ILE A 25 7.861 6.032 6.920 1.00 0.00 N ATOM 408 CA ILE A 25 7.522 6.953 5.795 1.00 0.00 C ATOM 409 C ILE A 25 8.598 7.029 4.680 1.00 0.00 C ATOM 410 O ILE A 25 8.287 7.176 3.498 1.00 0.00 O ATOM 411 CB ILE A 25 7.017 8.342 6.206 1.00 0.00 C ATOM 412 CG1 ILE A 25 8.095 9.180 6.937 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.724 8.135 7.023 1.00 0.00 C ATOM 414 CD1 ILE A 25 7.543 10.254 7.878 1.00 0.00 C ATOM 0 H ILE A 25 7.802 6.484 7.833 1.00 0.00 H new ATOM 0 HA ILE A 25 6.657 6.459 5.352 1.00 0.00 H new ATOM 0 HB ILE A 25 6.792 8.941 5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.732 8.506 7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.729 9.661 6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.332 9.103 7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.983 7.625 6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.943 7.531 7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.370 10.789 8.344 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.931 10.955 7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.934 9.783 8.650 1.00 0.00 H new ATOM 426 N ASP A 26 9.894 6.818 5.074 1.00 0.00 N ATOM 427 CA ASP A 26 11.081 6.644 4.229 1.00 0.00 C ATOM 428 C ASP A 26 11.046 5.409 3.310 1.00 0.00 C ATOM 429 O ASP A 26 11.477 5.532 2.166 1.00 0.00 O ATOM 430 CB ASP A 26 12.417 6.652 5.023 1.00 0.00 C ATOM 431 CG ASP A 26 12.536 7.948 5.831 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.477 9.042 5.210 1.00 0.00 O ATOM 433 OD2 ASP A 26 12.696 7.857 7.076 1.00 0.00 O ATOM 0 H ASP A 26 10.133 6.764 6.064 1.00 0.00 H new ATOM 0 HA ASP A 26 11.045 7.527 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.458 5.792 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.259 6.563 4.336 1.00 0.00 H new ATOM 438 N VAL A 27 10.454 4.216 3.727 1.00 0.00 N ATOM 439 CA VAL A 27 10.185 3.036 2.862 1.00 0.00 C ATOM 440 C VAL A 27 9.158 3.396 1.767 1.00 0.00 C ATOM 441 O VAL A 27 9.358 3.150 0.582 1.00 0.00 O ATOM 442 CB VAL A 27 9.844 1.653 3.515 1.00 0.00 C ATOM 443 CG1 VAL A 27 11.109 0.879 3.861 1.00 0.00 C ATOM 444 CG2 VAL A 27 9.013 1.586 4.812 1.00 0.00 C ATOM 0 H VAL A 27 10.155 4.070 4.691 1.00 0.00 H new ATOM 0 HA VAL A 27 11.175 2.833 2.454 1.00 0.00 H new ATOM 0 HB VAL A 27 9.221 1.248 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.839 -0.076 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.686 0.701 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.708 1.457 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.883 0.545 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.531 2.126 5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.037 2.040 4.642 1.00 0.00 H new ATOM 454 N LEU A 28 8.040 4.080 2.122 1.00 0.00 N ATOM 455 CA LEU A 28 6.986 4.587 1.233 1.00 0.00 C ATOM 456 C LEU A 28 7.426 5.679 0.204 1.00 0.00 C ATOM 457 O LEU A 28 7.244 5.502 -1.006 1.00 0.00 O ATOM 458 CB LEU A 28 5.765 5.054 2.109 1.00 0.00 C ATOM 459 CG LEU A 28 4.907 3.944 2.828 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.533 2.535 2.924 1.00 0.00 C ATOM 461 CD2 LEU A 28 4.505 4.336 4.260 1.00 0.00 C ATOM 0 H LEU A 28 7.847 4.301 3.099 1.00 0.00 H new ATOM 0 HA LEU A 28 6.701 3.755 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.142 5.733 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.097 5.632 1.471 1.00 0.00 H new ATOM 0 HG LEU A 28 4.049 3.886 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.844 1.865 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.728 2.154 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.469 2.590 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.916 3.534 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.402 4.502 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.912 5.250 4.234 1.00 0.00 H new ATOM 473 N ARG A 29 8.108 6.787 0.642 1.00 0.00 N ATOM 474 CA ARG A 29 8.724 7.882 -0.172 1.00 0.00 C ATOM 475 C ARG A 29 9.730 7.482 -1.276 1.00 0.00 C ATOM 476 O ARG A 29 9.949 8.224 -2.224 1.00 0.00 O ATOM 477 CB ARG A 29 9.360 8.964 0.740 1.00 0.00 C ATOM 478 CG ARG A 29 8.330 9.768 1.562 1.00 0.00 C ATOM 479 CD ARG A 29 8.934 10.498 2.775 1.00 0.00 C ATOM 480 NE ARG A 29 10.029 11.420 2.318 1.00 0.00 N ATOM 481 CZ ARG A 29 10.867 12.067 3.189 1.00 0.00 C ATOM 482 NH1 ARG A 29 10.715 11.927 4.539 1.00 0.00 N ATOM 483 NH2 ARG A 29 11.866 12.857 2.700 1.00 0.00 N ATOM 0 H ARG A 29 8.249 6.946 1.640 1.00 0.00 H new ATOM 0 HA ARG A 29 7.867 8.269 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.061 8.484 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.937 9.653 0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.852 10.500 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.549 9.092 1.909 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.160 11.065 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.329 9.774 3.488 1.00 0.00 H new ATOM 0 HE ARG A 29 10.154 11.571 1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.971 11.336 4.910 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.345 12.414 5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.985 12.963 1.693 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.493 13.342 3.342 1.00 0.00 H new ATOM 497 N SER A 30 10.412 6.327 -1.097 1.00 0.00 N ATOM 498 CA SER A 30 11.481 5.674 -1.890 1.00 0.00 C ATOM 499 C SER A 30 10.941 5.001 -3.121 1.00 0.00 C ATOM 500 O SER A 30 11.365 5.312 -4.234 1.00 0.00 O ATOM 501 CB SER A 30 12.341 4.723 -0.958 1.00 0.00 C ATOM 502 OG SER A 30 12.572 3.355 -1.332 1.00 0.00 O ATOM 0 H SER A 30 10.195 5.754 -0.282 1.00 0.00 H new ATOM 0 HA SER A 30 12.158 6.438 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.317 5.192 -0.832 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.863 4.713 0.021 1.00 0.00 H new ATOM 0 HG SER A 30 13.120 2.917 -0.648 1.00 0.00 H new ATOM 508 N HIS A 31 9.887 4.132 -2.975 1.00 0.00 N ATOM 509 CA HIS A 31 9.095 3.512 -4.032 1.00 0.00 C ATOM 510 C HIS A 31 8.476 4.548 -4.952 1.00 0.00 C ATOM 511 O HIS A 31 8.305 4.303 -6.125 1.00 0.00 O ATOM 512 CB HIS A 31 7.914 2.660 -3.491 1.00 0.00 C ATOM 513 CG HIS A 31 8.314 1.492 -2.652 1.00 0.00 C ATOM 514 ND1 HIS A 31 8.297 1.527 -1.282 1.00 0.00 N ATOM 515 CD2 HIS A 31 8.662 0.218 -2.985 1.00 0.00 C ATOM 516 CE1 HIS A 31 8.620 0.291 -0.853 1.00 0.00 C ATOM 517 NE2 HIS A 31 8.855 -0.535 -1.843 1.00 0.00 N ATOM 0 H HIS A 31 9.569 3.845 -2.049 1.00 0.00 H new ATOM 0 HA HIS A 31 9.805 2.877 -4.562 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.260 3.304 -2.903 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.329 2.298 -4.336 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.081 2.335 -0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.771 -0.150 -3.995 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.679 0.013 0.189 1.00 0.00 H new ATOM 525 N ASN A 32 8.163 5.737 -4.365 1.00 0.00 N ATOM 526 CA ASN A 32 7.517 6.941 -4.873 1.00 0.00 C ATOM 527 C ASN A 32 8.356 7.753 -5.828 1.00 0.00 C ATOM 528 O ASN A 32 7.840 8.329 -6.781 1.00 0.00 O ATOM 529 CB ASN A 32 6.811 7.755 -3.756 1.00 0.00 C ATOM 530 CG ASN A 32 5.519 7.017 -3.401 1.00 0.00 C ATOM 531 OD1 ASN A 32 4.443 7.609 -3.384 1.00 0.00 O ATOM 532 ND2 ASN A 32 5.592 5.679 -3.221 1.00 0.00 N ATOM 0 H ASN A 32 8.401 5.871 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 32 6.711 6.590 -5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.455 7.845 -2.881 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.594 8.767 -4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.741 5.138 -3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.498 5.211 -3.240 1.00 0.00 H new ATOM 539 N GLU A 33 9.693 7.727 -5.640 1.00 0.00 N ATOM 540 CA GLU A 33 10.726 8.281 -6.518 1.00 0.00 C ATOM 541 C GLU A 33 10.889 7.460 -7.813 1.00 0.00 C ATOM 542 O GLU A 33 10.986 7.969 -8.928 1.00 0.00 O ATOM 543 CB GLU A 33 12.020 8.351 -5.648 1.00 0.00 C ATOM 544 CG GLU A 33 12.031 9.523 -4.652 1.00 0.00 C ATOM 545 CD GLU A 33 12.059 10.854 -5.400 1.00 0.00 C ATOM 546 OE1 GLU A 33 13.060 11.109 -6.122 1.00 0.00 O ATOM 547 OE2 GLU A 33 11.081 11.636 -5.257 1.00 0.00 O ATOM 0 H GLU A 33 10.098 7.287 -4.814 1.00 0.00 H new ATOM 0 HA GLU A 33 10.463 9.274 -6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.128 7.417 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.885 8.436 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.149 9.475 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.901 9.446 -3.999 1.00 0.00 H new ATOM 554 N ALA A 34 10.816 6.125 -7.647 1.00 0.00 N ATOM 555 CA ALA A 34 10.700 5.061 -8.634 1.00 0.00 C ATOM 556 C ALA A 34 9.315 4.941 -9.316 1.00 0.00 C ATOM 557 O ALA A 34 9.140 4.349 -10.383 1.00 0.00 O ATOM 558 CB ALA A 34 11.183 3.758 -7.982 1.00 0.00 C ATOM 0 H ALA A 34 10.841 5.734 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 34 11.339 5.311 -9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.107 2.942 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.221 3.871 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.564 3.535 -7.113 1.00 0.00 H new ATOM 564 N CYS A 35 8.245 5.419 -8.616 1.00 0.00 N ATOM 565 CA CYS A 35 6.824 5.325 -8.959 1.00 0.00 C ATOM 566 C CYS A 35 6.383 6.159 -10.134 1.00 0.00 C ATOM 567 O CYS A 35 5.625 5.709 -10.984 1.00 0.00 O ATOM 568 CB CYS A 35 5.865 5.519 -7.725 1.00 0.00 C ATOM 569 SG CYS A 35 4.976 7.131 -7.439 1.00 0.00 S ATOM 0 H CYS A 35 8.381 5.914 -7.735 1.00 0.00 H new ATOM 0 HA CYS A 35 6.728 4.291 -9.291 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.103 4.742 -7.789 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.453 5.316 -6.830 1.00 0.00 H new ATOM 0 HG CYS A 35 5.838 8.052 -7.123 1.00 0.00 H new ATOM 575 N GLN A 36 6.937 7.407 -10.216 1.00 0.00 N ATOM 576 CA GLN A 36 6.758 8.429 -11.274 1.00 0.00 C ATOM 577 C GLN A 36 7.255 8.007 -12.666 1.00 0.00 C ATOM 578 O GLN A 36 7.085 8.666 -13.690 1.00 0.00 O ATOM 579 CB GLN A 36 7.256 9.840 -10.838 1.00 0.00 C ATOM 580 CG GLN A 36 8.726 9.943 -10.367 1.00 0.00 C ATOM 581 CD GLN A 36 9.745 9.928 -11.509 1.00 0.00 C ATOM 582 OE1 GLN A 36 9.826 10.844 -12.333 1.00 0.00 O ATOM 583 NE2 GLN A 36 10.564 8.846 -11.520 1.00 0.00 N ATOM 0 H GLN A 36 7.566 7.741 -9.486 1.00 0.00 H new ATOM 0 HA GLN A 36 5.678 8.512 -11.399 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.119 10.523 -11.676 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.614 10.193 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.850 10.862 -9.794 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.940 9.115 -9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.455 8.116 -10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.289 8.762 -12.233 1.00 0.00 H new ATOM 592 N GLU A 37 7.984 6.873 -12.619 1.00 0.00 N ATOM 593 CA GLU A 37 8.700 6.220 -13.696 1.00 0.00 C ATOM 594 C GLU A 37 7.981 4.972 -14.164 1.00 0.00 C ATOM 595 O GLU A 37 8.263 4.459 -15.246 1.00 0.00 O ATOM 596 CB GLU A 37 10.141 5.896 -13.171 1.00 0.00 C ATOM 597 CG GLU A 37 10.825 4.539 -13.492 1.00 0.00 C ATOM 598 CD GLU A 37 11.477 4.553 -14.876 1.00 0.00 C ATOM 599 OE1 GLU A 37 12.321 5.454 -15.127 1.00 0.00 O ATOM 600 OE2 GLU A 37 11.147 3.655 -15.697 1.00 0.00 O ATOM 0 H GLU A 37 8.085 6.359 -11.744 1.00 0.00 H new ATOM 0 HA GLU A 37 8.756 6.875 -14.565 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.800 6.681 -13.543 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.114 5.990 -12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.579 4.323 -12.736 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.087 3.738 -13.444 1.00 0.00 H new ATOM 607 N ASN A 38 7.048 4.391 -13.370 1.00 0.00 N ATOM 608 CA ASN A 38 6.523 3.073 -13.678 1.00 0.00 C ATOM 609 C ASN A 38 5.039 3.033 -13.422 1.00 0.00 C ATOM 610 O ASN A 38 4.462 3.923 -12.807 1.00 0.00 O ATOM 611 CB ASN A 38 7.380 2.105 -12.805 1.00 0.00 C ATOM 612 CG ASN A 38 7.202 0.585 -12.902 1.00 0.00 C ATOM 613 OD1 ASN A 38 6.152 0.003 -13.157 1.00 0.00 O ATOM 614 ND2 ASN A 38 8.295 -0.106 -12.487 1.00 0.00 N ATOM 0 H ASN A 38 6.660 4.820 -12.530 1.00 0.00 H new ATOM 0 HA ASN A 38 6.605 2.783 -14.725 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.426 2.318 -13.025 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.211 2.380 -11.764 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.249 -1.120 -12.384 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.162 0.389 -12.278 1.00 0.00 H new ATOM 621 N LYS A 39 4.391 1.913 -13.817 1.00 0.00 N ATOM 622 CA LYS A 39 3.010 1.614 -13.508 1.00 0.00 C ATOM 623 C LYS A 39 2.825 1.056 -12.090 1.00 0.00 C ATOM 624 O LYS A 39 1.918 1.460 -11.371 1.00 0.00 O ATOM 625 CB LYS A 39 2.405 0.602 -14.509 1.00 0.00 C ATOM 626 CG LYS A 39 3.191 -0.702 -14.761 1.00 0.00 C ATOM 627 CD LYS A 39 2.473 -1.825 -14.045 1.00 0.00 C ATOM 628 CE LYS A 39 2.127 -2.991 -14.962 1.00 0.00 C ATOM 629 NZ LYS A 39 1.596 -4.143 -14.200 1.00 0.00 N ATOM 0 H LYS A 39 4.842 1.186 -14.372 1.00 0.00 H new ATOM 0 HA LYS A 39 2.489 2.568 -13.582 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.410 0.333 -14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.278 1.109 -15.465 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.253 -0.909 -15.829 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.213 -0.608 -14.394 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.098 -2.186 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.557 -1.437 -13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.390 -2.670 -15.698 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.016 -3.297 -15.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.031 -5.021 -14.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.819 -4.024 -13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.565 -4.195 -14.323 1.00 0.00 H new ATOM 643 N ASP A 40 3.664 0.069 -11.710 1.00 0.00 N ATOM 644 CA ASP A 40 3.778 -0.470 -10.371 1.00 0.00 C ATOM 645 C ASP A 40 5.160 -1.052 -10.160 1.00 0.00 C ATOM 646 O ASP A 40 5.314 -2.234 -10.429 1.00 0.00 O ATOM 647 CB ASP A 40 2.562 -1.274 -9.793 1.00 0.00 C ATOM 648 CG ASP A 40 1.911 -2.288 -10.735 1.00 0.00 C ATOM 649 OD1 ASP A 40 2.570 -3.298 -11.084 1.00 0.00 O ATOM 650 OD2 ASP A 40 0.727 -2.064 -11.108 1.00 0.00 O ATOM 0 H ASP A 40 4.300 -0.381 -12.368 1.00 0.00 H new ATOM 0 HA ASP A 40 3.683 0.380 -9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.895 -1.802 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.800 -0.562 -9.477 1.00 0.00 H new ATOM 655 N LEU A 41 6.236 -0.334 -9.693 1.00 0.00 N ATOM 656 CA LEU A 41 7.564 -0.942 -9.379 1.00 0.00 C ATOM 657 C LEU A 41 7.619 -1.997 -8.248 1.00 0.00 C ATOM 658 O LEU A 41 8.389 -2.955 -8.286 1.00 0.00 O ATOM 659 CB LEU A 41 8.725 0.062 -9.319 1.00 0.00 C ATOM 660 CG LEU A 41 8.836 1.031 -8.148 1.00 0.00 C ATOM 661 CD1 LEU A 41 7.525 1.673 -7.771 1.00 0.00 C ATOM 662 CD2 LEU A 41 9.680 0.538 -6.972 1.00 0.00 C ATOM 0 H LEU A 41 6.201 0.672 -9.527 1.00 0.00 H new ATOM 0 HA LEU A 41 7.720 -1.547 -10.272 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.651 -0.511 -9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.685 0.658 -10.230 1.00 0.00 H new ATOM 0 HG LEU A 41 9.439 1.853 -8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.680 2.350 -6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.136 2.233 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.810 0.901 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.696 1.299 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.248 -0.380 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.698 0.344 -7.311 1.00 0.00 H new ATOM 674 N GLN A 42 6.669 -1.836 -7.302 1.00 0.00 N ATOM 675 CA GLN A 42 6.163 -2.558 -6.162 1.00 0.00 C ATOM 676 C GLN A 42 4.874 -3.370 -6.406 1.00 0.00 C ATOM 677 O GLN A 42 3.981 -3.230 -5.561 1.00 0.00 O ATOM 678 CB GLN A 42 6.332 -1.823 -4.811 1.00 0.00 C ATOM 679 CG GLN A 42 6.948 -2.719 -3.712 1.00 0.00 C ATOM 680 CD GLN A 42 8.250 -3.425 -4.132 1.00 0.00 C ATOM 681 OE1 GLN A 42 9.243 -2.829 -4.548 1.00 0.00 O ATOM 682 NE2 GLN A 42 8.203 -4.785 -4.098 1.00 0.00 N ATOM 0 H GLN A 42 6.126 -0.975 -7.367 1.00 0.00 H new ATOM 0 HA GLN A 42 6.855 -3.388 -6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.965 -0.948 -4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.360 -1.462 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.146 -2.110 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.216 -3.473 -3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.369 -5.258 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.001 -5.331 -4.421 1.00 0.00 H new ATOM 691 N PRO A 43 4.609 -4.090 -7.576 1.00 0.00 N ATOM 692 CA PRO A 43 3.326 -4.654 -8.093 1.00 0.00 C ATOM 693 C PRO A 43 2.425 -5.363 -7.053 1.00 0.00 C ATOM 694 O PRO A 43 1.208 -5.303 -7.180 1.00 0.00 O ATOM 695 CB PRO A 43 3.772 -5.639 -9.209 1.00 0.00 C ATOM 696 CG PRO A 43 5.214 -5.998 -8.875 1.00 0.00 C ATOM 697 CD PRO A 43 5.717 -4.659 -8.353 1.00 0.00 C ATOM 0 HA PRO A 43 2.685 -3.841 -8.434 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.140 -6.527 -9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.700 -5.177 -10.194 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.282 -6.787 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.770 -6.338 -9.749 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.603 -4.790 -7.732 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.998 -4.000 -9.174 1.00 0.00 H new ATOM 705 N TYR A 44 3.041 -5.986 -6.010 1.00 0.00 N ATOM 706 CA TYR A 44 2.507 -6.590 -4.803 1.00 0.00 C ATOM 707 C TYR A 44 3.649 -6.502 -3.785 1.00 0.00 C ATOM 708 O TYR A 44 4.815 -6.327 -4.149 1.00 0.00 O ATOM 709 CB TYR A 44 1.984 -8.053 -4.936 1.00 0.00 C ATOM 710 CG TYR A 44 0.642 -8.061 -5.662 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.528 -7.679 -5.005 1.00 0.00 C ATOM 712 CD2 TYR A 44 0.542 -8.387 -7.013 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.749 -7.690 -5.655 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.678 -8.381 -7.666 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.825 -8.047 -6.983 1.00 0.00 C ATOM 716 OH TYR A 44 -3.061 -8.031 -7.663 1.00 0.00 O ATOM 0 H TYR A 44 4.057 -6.076 -6.020 1.00 0.00 H new ATOM 0 HA TYR A 44 1.606 -6.051 -4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.707 -8.658 -5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.876 -8.501 -3.948 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.480 -7.369 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.435 -8.650 -7.561 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.646 -7.418 -5.119 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.730 -8.639 -8.713 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.927 -8.311 -8.593 1.00 0.00 H new ATOM 726 N MET A 45 3.278 -6.573 -2.479 1.00 0.00 N ATOM 727 CA MET A 45 4.141 -6.319 -1.325 1.00 0.00 C ATOM 728 C MET A 45 3.588 -7.024 -0.070 1.00 0.00 C ATOM 729 O MET A 45 2.412 -6.788 0.201 1.00 0.00 O ATOM 730 CB MET A 45 4.027 -4.770 -1.099 1.00 0.00 C ATOM 731 CG MET A 45 5.088 -3.939 -0.400 1.00 0.00 C ATOM 732 SD MET A 45 4.610 -2.183 -0.538 1.00 0.00 S ATOM 733 CE MET A 45 6.186 -1.567 0.068 1.00 0.00 C ATOM 0 H MET A 45 2.327 -6.820 -2.205 1.00 0.00 H new ATOM 0 HA MET A 45 5.158 -6.674 -1.493 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.892 -4.326 -2.085 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.101 -4.609 -0.548 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.172 -4.230 0.647 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.064 -4.105 -0.856 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.143 -0.481 0.154 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.394 -2.001 1.046 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.977 -1.845 -0.628 1.00 0.00 H new ATOM 743 N PRO A 46 4.224 -7.861 0.795 1.00 0.00 N ATOM 744 CA PRO A 46 3.633 -8.280 2.084 1.00 0.00 C ATOM 745 C PRO A 46 3.623 -7.108 3.096 1.00 0.00 C ATOM 746 O PRO A 46 4.326 -6.117 2.896 1.00 0.00 O ATOM 747 CB PRO A 46 4.647 -9.358 2.548 1.00 0.00 C ATOM 748 CG PRO A 46 6.004 -8.845 2.043 1.00 0.00 C ATOM 749 CD PRO A 46 5.598 -8.357 0.636 1.00 0.00 C ATOM 0 HA PRO A 46 2.601 -8.620 2.004 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.642 -9.468 3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.409 -10.335 2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.404 -8.043 2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.760 -9.629 2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.264 -7.570 0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.645 -9.166 -0.093 1.00 0.00 H new ATOM 757 N ILE A 47 2.892 -7.204 4.245 1.00 0.00 N ATOM 758 CA ILE A 47 2.858 -6.199 5.334 1.00 0.00 C ATOM 759 C ILE A 47 4.253 -6.049 5.980 1.00 0.00 C ATOM 760 O ILE A 47 4.743 -4.921 6.065 1.00 0.00 O ATOM 761 CB ILE A 47 1.655 -6.297 6.283 1.00 0.00 C ATOM 762 CG1 ILE A 47 0.363 -6.585 5.466 1.00 0.00 C ATOM 763 CG2 ILE A 47 1.497 -4.982 7.088 1.00 0.00 C ATOM 764 CD1 ILE A 47 -0.938 -6.338 6.244 1.00 0.00 C ATOM 0 H ILE A 47 2.295 -8.008 4.438 1.00 0.00 H new ATOM 0 HA ILE A 47 2.644 -5.231 4.881 1.00 0.00 H new ATOM 0 HB ILE A 47 1.823 -7.114 6.984 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.364 -5.960 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.382 -7.622 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.640 -5.065 7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.399 -4.803 7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.341 -4.151 6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.792 -6.562 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.964 -6.982 7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.982 -5.295 6.557 1.00 0.00 H new ATOM 776 N PRO A 48 4.992 -7.133 6.362 1.00 0.00 N ATOM 777 CA PRO A 48 6.426 -7.211 6.579 1.00 0.00 C ATOM 778 C PRO A 48 7.389 -6.670 5.522 1.00 0.00 C ATOM 779 O PRO A 48 8.566 -6.595 5.814 1.00 0.00 O ATOM 780 CB PRO A 48 6.750 -8.372 7.527 1.00 0.00 C ATOM 781 CG PRO A 48 5.408 -9.109 7.649 1.00 0.00 C ATOM 782 CD PRO A 48 4.471 -8.480 6.584 1.00 0.00 C ATOM 0 HA PRO A 48 6.789 -6.344 7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.529 -9.018 7.122 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.103 -8.015 8.495 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.533 -10.178 7.475 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.991 -8.996 8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.477 -9.061 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.440 -8.450 6.935 1.00 0.00 H new ATOM 790 N HIS A 49 7.032 -6.341 4.239 1.00 0.00 N ATOM 791 CA HIS A 49 7.970 -5.664 3.271 1.00 0.00 C ATOM 792 C HIS A 49 8.481 -4.352 3.856 1.00 0.00 C ATOM 793 O HIS A 49 9.659 -4.032 3.924 1.00 0.00 O ATOM 794 CB HIS A 49 7.290 -5.235 1.917 1.00 0.00 C ATOM 795 CG HIS A 49 8.134 -4.464 0.888 1.00 0.00 C ATOM 796 ND1 HIS A 49 8.667 -3.207 1.112 1.00 0.00 N ATOM 797 CD2 HIS A 49 8.540 -4.799 -0.368 1.00 0.00 C ATOM 798 CE1 HIS A 49 9.392 -2.861 0.037 1.00 0.00 C ATOM 799 NE2 HIS A 49 9.347 -3.801 -0.892 1.00 0.00 N ATOM 0 H HIS A 49 6.108 -6.531 3.850 1.00 0.00 H new ATOM 0 HA HIS A 49 8.749 -6.405 3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.917 -6.137 1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.422 -4.622 2.161 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.272 -5.710 -0.882 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.941 -1.936 -0.057 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.808 -3.793 -1.802 1.00 0.00 H new ATOM 807 N VAL A 50 7.478 -3.610 4.358 1.00 0.00 N ATOM 808 CA VAL A 50 7.521 -2.422 5.169 1.00 0.00 C ATOM 809 C VAL A 50 7.838 -2.792 6.647 1.00 0.00 C ATOM 810 O VAL A 50 8.814 -2.263 7.177 1.00 0.00 O ATOM 811 CB VAL A 50 6.385 -1.443 4.804 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.305 -2.043 3.882 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.766 -0.830 6.054 1.00 0.00 C ATOM 0 H VAL A 50 6.512 -3.878 4.171 1.00 0.00 H new ATOM 0 HA VAL A 50 8.369 -1.775 4.943 1.00 0.00 H new ATOM 0 HB VAL A 50 6.857 -0.653 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.545 -1.290 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.763 -2.364 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.843 -2.900 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.969 -0.145 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.356 -1.621 6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.530 -0.285 6.609 1.00 0.00 H new ATOM 823 N ARG A 51 7.109 -3.761 7.336 1.00 0.00 N ATOM 824 CA ARG A 51 7.444 -4.277 8.692 1.00 0.00 C ATOM 825 C ARG A 51 8.813 -4.971 8.899 1.00 0.00 C ATOM 826 O ARG A 51 9.291 -5.107 10.014 1.00 0.00 O ATOM 827 CB ARG A 51 6.357 -5.093 9.464 1.00 0.00 C ATOM 828 CG ARG A 51 4.953 -4.518 9.321 1.00 0.00 C ATOM 829 CD ARG A 51 3.835 -5.232 10.106 1.00 0.00 C ATOM 830 NE ARG A 51 3.601 -6.631 9.601 1.00 0.00 N ATOM 831 CZ ARG A 51 2.464 -7.337 9.902 1.00 0.00 C ATOM 832 NH1 ARG A 51 1.463 -6.777 10.641 1.00 0.00 N ATOM 833 NH2 ARG A 51 2.327 -8.622 9.460 1.00 0.00 N ATOM 0 H ARG A 51 6.272 -4.193 6.944 1.00 0.00 H new ATOM 0 HA ARG A 51 7.502 -3.286 9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.359 -6.121 9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.622 -5.127 10.521 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.978 -3.475 9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.687 -4.526 8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.099 -5.267 11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.912 -4.658 10.026 1.00 0.00 H new ATOM 0 HE ARG A 51 4.312 -7.069 9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.553 -5.819 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.624 -7.317 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.069 -9.053 8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.483 -9.150 9.682 1.00 0.00 H new ATOM 847 N ASP A 52 9.560 -5.415 7.863 1.00 0.00 N ATOM 848 CA ASP A 52 10.986 -5.792 8.001 1.00 0.00 C ATOM 849 C ASP A 52 11.968 -4.591 8.076 1.00 0.00 C ATOM 850 O ASP A 52 13.143 -4.774 8.366 1.00 0.00 O ATOM 851 CB ASP A 52 11.493 -6.778 6.901 1.00 0.00 C ATOM 852 CG ASP A 52 10.837 -8.163 7.020 1.00 0.00 C ATOM 853 OD1 ASP A 52 10.259 -8.480 8.094 1.00 0.00 O ATOM 854 OD2 ASP A 52 10.919 -8.927 6.022 1.00 0.00 O ATOM 0 H ASP A 52 9.196 -5.522 6.916 1.00 0.00 H new ATOM 0 HA ASP A 52 10.993 -6.302 8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.283 -6.361 5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.575 -6.882 6.979 1.00 0.00 H new ATOM 859 N SER A 53 11.532 -3.339 7.718 1.00 0.00 N ATOM 860 CA SER A 53 12.357 -2.149 7.555 1.00 0.00 C ATOM 861 C SER A 53 12.545 -1.260 8.742 1.00 0.00 C ATOM 862 O SER A 53 13.372 -0.353 8.666 1.00 0.00 O ATOM 863 CB SER A 53 11.974 -1.240 6.388 1.00 0.00 C ATOM 864 OG SER A 53 13.089 -0.474 5.891 1.00 0.00 O ATOM 0 H SER A 53 10.547 -3.151 7.533 1.00 0.00 H new ATOM 0 HA SER A 53 13.301 -2.658 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.566 -1.846 5.579 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.184 -0.560 6.707 1.00 0.00 H new ATOM 0 HG SER A 53 13.615 -0.136 6.645 1.00 0.00 H new ATOM 870 N LEU A 54 11.742 -1.373 9.834 1.00 0.00 N ATOM 871 CA LEU A 54 11.681 -0.419 10.930 1.00 0.00 C ATOM 872 C LEU A 54 13.017 -0.371 11.728 1.00 0.00 C ATOM 873 O LEU A 54 13.390 0.629 12.340 1.00 0.00 O ATOM 874 CB LEU A 54 10.597 -0.877 12.002 1.00 0.00 C ATOM 875 CG LEU A 54 10.155 -2.363 12.151 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.838 -2.642 11.442 1.00 0.00 C ATOM 877 CD2 LEU A 54 11.182 -3.500 12.049 1.00 0.00 C ATOM 0 H LEU A 54 11.107 -2.161 9.962 1.00 0.00 H new ATOM 0 HA LEU A 54 11.450 0.544 10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.967 -0.561 12.977 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.694 -0.300 11.801 1.00 0.00 H new ATOM 0 HG LEU A 54 10.006 -2.415 13.229 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.569 -3.690 11.573 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.056 -2.011 11.865 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.944 -2.424 10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.679 -4.458 12.180 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.660 -3.472 11.070 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.938 -3.378 12.825 1.00 0.00 H new ATOM 889 N ILE A 55 13.698 -1.540 11.625 1.00 0.00 N ATOM 890 CA ILE A 55 15.012 -2.009 12.074 1.00 0.00 C ATOM 891 C ILE A 55 15.345 -3.137 11.091 1.00 0.00 C ATOM 892 O ILE A 55 14.516 -4.030 10.932 1.00 0.00 O ATOM 893 CB ILE A 55 15.040 -2.553 13.517 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.696 -1.496 14.587 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.390 -3.207 13.898 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.382 -1.864 15.262 1.00 0.00 C ATOM 0 H ILE A 55 13.239 -2.305 11.131 1.00 0.00 H new ATOM 0 HA ILE A 55 15.723 -1.183 12.087 1.00 0.00 H new ATOM 0 HB ILE A 55 14.259 -3.314 13.512 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.494 -1.440 15.327 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.617 -0.511 14.128 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.342 -3.568 14.925 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.591 -4.043 13.228 1.00 0.00 H new ATOM 0 HG23 ILE A 55 17.189 -2.471 13.809 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.139 -1.117 16.018 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.587 -1.898 14.517 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.477 -2.841 15.735 1.00 0.00 H new ATOM 908 N GLN A 56 16.542 -3.158 10.439 1.00 0.00 N ATOM 909 CA GLN A 56 16.979 -4.153 9.440 1.00 0.00 C ATOM 910 C GLN A 56 17.184 -5.652 9.816 1.00 0.00 C ATOM 911 O GLN A 56 16.641 -6.485 9.095 1.00 0.00 O ATOM 912 CB GLN A 56 18.256 -3.690 8.657 1.00 0.00 C ATOM 913 CG GLN A 56 18.171 -2.288 8.009 1.00 0.00 C ATOM 914 CD GLN A 56 19.475 -1.973 7.263 1.00 0.00 C ATOM 915 OE1 GLN A 56 20.249 -1.095 7.650 1.00 0.00 O ATOM 916 NE2 GLN A 56 19.741 -2.720 6.160 1.00 0.00 N ATOM 0 H GLN A 56 17.253 -2.447 10.609 1.00 0.00 H new ATOM 0 HA GLN A 56 16.063 -4.164 8.850 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.104 -3.704 9.341 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.465 -4.420 7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.329 -2.248 7.318 1.00 0.00 H new ATOM 0 HG3 GLN A 56 17.990 -1.535 8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 56 19.084 -3.440 5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 56 20.598 -2.561 5.631 1.00 0.00 H new ATOM 925 N PRO A 57 17.952 -6.089 10.842 1.00 0.00 N ATOM 926 CA PRO A 57 18.367 -7.494 11.020 1.00 0.00 C ATOM 927 C PRO A 57 17.347 -8.369 11.774 1.00 0.00 C ATOM 928 O PRO A 57 16.207 -8.498 11.348 1.00 0.00 O ATOM 929 CB PRO A 57 19.669 -7.302 11.831 1.00 0.00 C ATOM 930 CG PRO A 57 19.302 -6.148 12.762 1.00 0.00 C ATOM 931 CD PRO A 57 18.697 -5.196 11.732 1.00 0.00 C ATOM 0 HA PRO A 57 18.473 -8.031 10.077 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.940 -8.201 12.384 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.515 -7.055 11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.591 -6.440 13.535 1.00 0.00 H new ATOM 0 HG3 PRO A 57 20.168 -5.724 13.270 1.00 0.00 H new ATOM 0 HD2 PRO A 57 18.044 -4.459 12.200 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.467 -4.643 11.194 1.00 0.00 H new ATOM 939 N HIS A 58 17.789 -8.990 12.905 1.00 0.00 N ATOM 940 CA HIS A 58 17.123 -9.893 13.841 1.00 0.00 C ATOM 941 C HIS A 58 16.150 -9.242 14.822 1.00 0.00 C ATOM 942 O HIS A 58 15.221 -9.880 15.300 1.00 0.00 O ATOM 943 CB HIS A 58 18.137 -10.834 14.548 1.00 0.00 C ATOM 944 CG HIS A 58 19.232 -10.105 15.282 1.00 0.00 C ATOM 945 ND1 HIS A 58 20.556 -10.068 14.897 1.00 0.00 N ATOM 946 CD2 HIS A 58 19.160 -9.364 16.419 1.00 0.00 C ATOM 947 CE1 HIS A 58 21.211 -9.312 15.813 1.00 0.00 C ATOM 948 NE2 HIS A 58 20.404 -8.861 16.751 1.00 0.00 N ATOM 0 H HIS A 58 18.752 -8.836 13.205 1.00 0.00 H new ATOM 0 HA HIS A 58 16.472 -10.498 13.210 1.00 0.00 H new ATOM 0 HB2 HIS A 58 17.600 -11.468 15.253 1.00 0.00 H new ATOM 0 HB3 HIS A 58 18.586 -11.493 13.805 1.00 0.00 H new ATOM 0 HD2 HIS A 58 18.256 -9.192 16.985 1.00 0.00 H new ATOM 0 HE1 HIS A 58 22.270 -9.104 15.777 1.00 0.00 H new ATOM 0 HE2 HIS A 58 20.644 -8.270 17.547 1.00 0.00 H new ATOM 956 N ASP A 59 16.351 -7.936 15.156 1.00 0.00 N ATOM 957 CA ASP A 59 15.564 -7.084 16.034 1.00 0.00 C ATOM 958 C ASP A 59 14.404 -6.435 15.301 1.00 0.00 C ATOM 959 O ASP A 59 13.718 -5.597 15.866 1.00 0.00 O ATOM 960 CB ASP A 59 16.425 -5.952 16.672 1.00 0.00 C ATOM 961 CG ASP A 59 17.493 -6.538 17.598 1.00 0.00 C ATOM 962 OD1 ASP A 59 17.112 -7.247 18.569 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.699 -6.270 17.355 1.00 0.00 O ATOM 0 H ASP A 59 17.146 -7.426 14.771 1.00 0.00 H new ATOM 0 HA ASP A 59 15.184 -7.741 16.817 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.901 -5.364 15.887 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.783 -5.273 17.234 1.00 0.00 H new ATOM 968 N ARG A 60 14.122 -6.789 14.012 1.00 0.00 N ATOM 969 CA ARG A 60 13.009 -6.297 13.195 1.00 0.00 C ATOM 970 C ARG A 60 11.626 -6.592 13.737 1.00 0.00 C ATOM 971 O ARG A 60 10.728 -5.757 13.755 1.00 0.00 O ATOM 972 CB ARG A 60 13.091 -6.736 11.709 1.00 0.00 C ATOM 973 CG ARG A 60 12.644 -8.140 11.264 1.00 0.00 C ATOM 974 CD ARG A 60 13.293 -9.254 12.077 1.00 0.00 C ATOM 975 NE ARG A 60 13.338 -10.515 11.266 1.00 0.00 N ATOM 976 CZ ARG A 60 13.713 -11.724 11.782 1.00 0.00 C ATOM 977 NH1 ARG A 60 13.966 -11.876 13.115 1.00 0.00 N ATOM 978 NH2 ARG A 60 13.838 -12.792 10.944 1.00 0.00 N ATOM 0 H ARG A 60 14.702 -7.458 13.506 1.00 0.00 H new ATOM 0 HA ARG A 60 13.143 -5.217 13.251 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.506 -6.019 11.133 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.130 -6.621 11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.560 -8.216 11.353 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.888 -8.277 10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.302 -8.963 12.370 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.731 -9.421 12.996 1.00 0.00 H new ATOM 0 HE ARG A 60 13.076 -10.468 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.876 -11.079 13.745 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.245 -12.787 13.481 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.653 -12.682 9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.117 -13.701 11.314 1.00 0.00 H new ATOM 992 N LYS A 61 11.395 -7.810 14.301 1.00 0.00 N ATOM 993 CA LYS A 61 10.153 -8.232 14.924 1.00 0.00 C ATOM 994 C LYS A 61 9.736 -7.458 16.172 1.00 0.00 C ATOM 995 O LYS A 61 8.562 -7.266 16.493 1.00 0.00 O ATOM 996 CB LYS A 61 9.452 -9.478 14.311 1.00 0.00 C ATOM 997 CG LYS A 61 8.174 -9.995 15.023 1.00 0.00 C ATOM 998 CD LYS A 61 8.431 -10.517 16.443 1.00 0.00 C ATOM 999 CE LYS A 61 7.391 -11.515 16.961 1.00 0.00 C ATOM 1000 NZ LYS A 61 7.428 -12.780 16.190 1.00 0.00 N ATOM 0 H LYS A 61 12.110 -8.537 14.324 1.00 0.00 H new ATOM 0 HA LYS A 61 9.064 -8.204 14.970 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.193 -9.246 13.278 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.176 -10.293 14.282 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.442 -9.189 15.068 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.733 -10.793 14.426 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.412 -10.991 16.468 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.470 -9.668 17.125 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.577 -11.723 18.015 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.396 -11.075 16.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.923 -13.522 16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.971 -12.637 15.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.416 -13.070 16.046 1.00 0.00 H new ATOM 1014 N LYS A 62 10.753 -6.885 16.854 1.00 0.00 N ATOM 1015 CA LYS A 62 10.612 -5.996 17.987 1.00 0.00 C ATOM 1016 C LYS A 62 9.888 -4.653 17.749 1.00 0.00 C ATOM 1017 O LYS A 62 9.166 -4.193 18.633 1.00 0.00 O ATOM 1018 CB LYS A 62 12.008 -5.872 18.662 1.00 0.00 C ATOM 1019 CG LYS A 62 12.070 -4.868 19.821 1.00 0.00 C ATOM 1020 CD LYS A 62 12.653 -3.472 19.511 1.00 0.00 C ATOM 1021 CE LYS A 62 14.112 -3.483 19.036 1.00 0.00 C ATOM 1022 NZ LYS A 62 14.609 -2.103 18.819 1.00 0.00 N ATOM 0 H LYS A 62 11.729 -7.048 16.605 1.00 0.00 H new ATOM 0 HA LYS A 62 9.897 -6.452 18.671 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.307 -6.853 19.032 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.738 -5.581 17.907 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.060 -4.735 20.208 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.662 -5.312 20.622 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.039 -2.997 18.746 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.580 -2.855 20.406 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.735 -3.986 19.775 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.193 -4.053 18.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.598 -2.137 18.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.026 -1.634 18.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.552 -1.569 19.710 1.00 0.00 H new ATOM 1036 N MET A 63 9.983 -4.004 16.550 1.00 0.00 N ATOM 1037 CA MET A 63 9.151 -2.826 16.280 1.00 0.00 C ATOM 1038 C MET A 63 8.120 -3.160 15.213 1.00 0.00 C ATOM 1039 O MET A 63 7.321 -2.310 14.825 1.00 0.00 O ATOM 1040 CB MET A 63 9.832 -1.433 16.100 1.00 0.00 C ATOM 1041 CG MET A 63 10.419 -0.851 17.407 1.00 0.00 C ATOM 1042 SD MET A 63 10.551 0.974 17.420 1.00 0.00 S ATOM 1043 CE MET A 63 11.804 1.219 16.124 1.00 0.00 C ATOM 0 H MET A 63 10.608 -4.276 15.791 1.00 0.00 H new ATOM 0 HA MET A 63 8.661 -2.630 17.234 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.630 -1.522 15.362 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.102 -0.731 15.697 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.796 -1.165 18.244 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.409 -1.277 17.569 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.727 2.232 15.730 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.798 1.068 16.546 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.639 0.503 15.319 1.00 0.00 H new ATOM 1053 N LYS A 64 8.024 -4.455 14.747 1.00 0.00 N ATOM 1054 CA LYS A 64 6.956 -4.935 13.844 1.00 0.00 C ATOM 1055 C LYS A 64 5.643 -5.045 14.616 1.00 0.00 C ATOM 1056 O LYS A 64 4.564 -4.723 14.123 1.00 0.00 O ATOM 1057 CB LYS A 64 7.366 -6.269 13.150 1.00 0.00 C ATOM 1058 CG LYS A 64 6.482 -7.526 13.288 1.00 0.00 C ATOM 1059 CD LYS A 64 5.266 -7.686 12.372 1.00 0.00 C ATOM 1060 CE LYS A 64 4.499 -8.990 12.647 1.00 0.00 C ATOM 1061 NZ LYS A 64 5.310 -10.184 12.305 1.00 0.00 N ATOM 0 H LYS A 64 8.695 -5.181 14.998 1.00 0.00 H new ATOM 0 HA LYS A 64 6.806 -4.213 13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.465 -6.060 12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.358 -6.531 13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.122 -8.396 13.139 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.125 -7.565 14.317 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.596 -6.837 12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.592 -7.671 11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.216 -9.031 13.699 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.576 -8.999 12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.706 -11.031 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.714 -10.068 11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.079 -10.291 12.997 1.00 0.00 H new ATOM 1075 N LYS A 65 5.774 -5.487 15.907 1.00 0.00 N ATOM 1076 CA LYS A 65 4.693 -5.623 16.882 1.00 0.00 C ATOM 1077 C LYS A 65 4.044 -4.267 17.323 1.00 0.00 C ATOM 1078 O LYS A 65 2.831 -4.160 17.484 1.00 0.00 O ATOM 1079 CB LYS A 65 5.182 -6.431 18.114 1.00 0.00 C ATOM 1080 CG LYS A 65 4.085 -6.847 19.119 1.00 0.00 C ATOM 1081 CD LYS A 65 4.643 -7.731 20.247 1.00 0.00 C ATOM 1082 CE LYS A 65 3.607 -8.095 21.322 1.00 0.00 C ATOM 1083 NZ LYS A 65 3.129 -6.890 22.042 1.00 0.00 N ATOM 0 H LYS A 65 6.678 -5.763 16.290 1.00 0.00 H new ATOM 0 HA LYS A 65 3.897 -6.168 16.374 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.685 -7.331 17.759 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.927 -5.837 18.643 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.630 -5.955 19.549 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.296 -7.385 18.593 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.040 -8.649 19.813 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.478 -7.215 20.721 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.762 -8.603 20.858 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.048 -8.794 22.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.551 -7.179 22.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.945 -6.338 22.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.555 -6.307 21.400 1.00 0.00 H new ATOM 1097 N VAL A 66 4.856 -3.159 17.454 1.00 0.00 N ATOM 1098 CA VAL A 66 4.434 -1.758 17.704 1.00 0.00 C ATOM 1099 C VAL A 66 3.871 -1.124 16.442 1.00 0.00 C ATOM 1100 O VAL A 66 2.952 -0.309 16.512 1.00 0.00 O ATOM 1101 CB VAL A 66 5.439 -0.811 18.394 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.550 -0.301 17.464 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.715 0.435 18.967 1.00 0.00 C ATOM 0 H VAL A 66 5.870 -3.240 17.382 1.00 0.00 H new ATOM 0 HA VAL A 66 3.659 -1.877 18.461 1.00 0.00 H new ATOM 0 HB VAL A 66 5.894 -1.413 19.181 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.216 0.358 18.020 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.117 -1.147 17.077 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.106 0.249 16.634 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.442 1.089 19.449 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.223 0.974 18.158 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.971 0.119 19.698 1.00 0.00 H new ATOM 1113 N TRP A 67 4.383 -1.525 15.229 1.00 0.00 N ATOM 1114 CA TRP A 67 3.911 -1.131 13.895 1.00 0.00 C ATOM 1115 C TRP A 67 2.401 -1.383 13.689 1.00 0.00 C ATOM 1116 O TRP A 67 1.704 -0.556 13.119 1.00 0.00 O ATOM 1117 CB TRP A 67 4.751 -1.763 12.745 1.00 0.00 C ATOM 1118 CG TRP A 67 4.344 -1.292 11.359 1.00 0.00 C ATOM 1119 CD1 TRP A 67 3.474 -1.936 10.538 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.418 0.053 10.864 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.226 -1.193 9.430 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.687 0.077 9.673 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.990 1.176 11.379 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.463 1.236 9.003 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 4.760 2.351 10.708 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.970 2.387 9.573 1.00 0.00 C ATOM 0 H TRP A 67 5.176 -2.164 15.177 1.00 0.00 H new ATOM 0 HA TRP A 67 4.062 -0.053 13.848 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.803 -1.527 12.904 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.657 -2.848 12.792 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.040 -2.904 10.739 1.00 0.00 H new ATOM 0 HE1 TRP A 67 2.779 -1.519 8.573 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.596 1.144 12.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.916 1.257 8.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.204 3.265 11.073 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.744 3.341 9.120 1.00 0.00 H new ATOM 1137 N ASP A 68 1.868 -2.498 14.268 1.00 0.00 N ATOM 1138 CA ASP A 68 0.454 -2.900 14.370 1.00 0.00 C ATOM 1139 C ASP A 68 -0.452 -1.820 15.020 1.00 0.00 C ATOM 1140 O ASP A 68 -1.534 -1.493 14.538 1.00 0.00 O ATOM 1141 CB ASP A 68 0.379 -4.213 15.208 1.00 0.00 C ATOM 1142 CG ASP A 68 1.213 -5.355 14.604 1.00 0.00 C ATOM 1143 OD1 ASP A 68 1.571 -5.290 13.399 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.481 -6.330 15.357 1.00 0.00 O ATOM 0 H ASP A 68 2.476 -3.188 14.708 1.00 0.00 H new ATOM 0 HA ASP A 68 0.079 -3.045 13.357 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.727 -4.012 16.221 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.661 -4.530 15.285 1.00 0.00 H new ATOM 1149 N ARG A 69 0.064 -1.199 16.114 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.441 -0.014 16.805 1.00 0.00 C ATOM 1151 C ARG A 69 -0.124 1.311 16.078 1.00 0.00 C ATOM 1152 O ARG A 69 -1.031 2.101 15.839 1.00 0.00 O ATOM 1153 CB ARG A 69 0.038 -0.069 18.284 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.974 0.436 19.335 1.00 0.00 C ATOM 1155 CD ARG A 69 -1.128 1.964 19.396 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.132 2.332 20.458 1.00 0.00 N ATOM 1157 CZ ARG A 69 -3.481 2.436 20.231 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -4.011 2.181 19.001 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -4.304 2.805 21.256 1.00 0.00 N ATOM 0 H ARG A 69 0.910 -1.553 16.559 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.531 -0.029 16.796 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.299 -1.100 18.524 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.951 0.520 18.373 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.948 -0.006 19.123 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.667 0.076 20.317 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.166 2.428 19.615 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.452 2.345 18.428 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.788 2.514 21.401 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.402 1.907 18.230 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.017 2.264 18.852 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.914 3.000 22.178 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.309 2.886 21.100 1.00 0.00 H new ATOM 1173 N ALA A 70 1.158 1.579 15.653 1.00 0.00 N ATOM 1174 CA ALA A 70 1.681 2.767 14.932 1.00 0.00 C ATOM 1175 C ALA A 70 0.942 3.148 13.633 1.00 0.00 C ATOM 1176 O ALA A 70 0.762 4.319 13.284 1.00 0.00 O ATOM 1177 CB ALA A 70 3.194 2.645 14.634 1.00 0.00 C ATOM 0 H ALA A 70 1.904 0.905 15.827 1.00 0.00 H new ATOM 0 HA ALA A 70 1.493 3.577 15.636 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.534 3.536 14.106 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.743 2.547 15.571 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.373 1.766 14.015 1.00 0.00 H new ATOM 1183 N VAL A 71 0.435 2.078 12.947 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.485 2.022 11.792 1.00 0.00 C ATOM 1185 C VAL A 71 -1.825 2.702 12.051 1.00 0.00 C ATOM 1186 O VAL A 71 -2.367 3.316 11.139 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.711 0.594 11.257 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.905 0.416 10.286 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.533 0.218 10.451 1.00 0.00 C ATOM 0 H VAL A 71 0.698 1.134 13.231 1.00 0.00 H new ATOM 0 HA VAL A 71 0.031 2.589 11.017 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.917 -0.020 12.133 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.968 -0.627 9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.829 0.701 10.789 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.759 1.048 9.410 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.417 -0.789 10.051 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.660 0.922 9.629 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.410 0.253 11.098 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.368 2.682 13.313 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.592 3.383 13.764 1.00 0.00 C ATOM 1201 C ASP A 72 -3.484 4.920 13.595 1.00 0.00 C ATOM 1202 O ASP A 72 -4.418 5.581 13.164 1.00 0.00 O ATOM 1203 CB ASP A 72 -4.015 2.889 15.192 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.313 3.511 15.724 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.379 3.289 15.090 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.250 4.216 16.766 1.00 0.00 O ATOM 0 H ASP A 72 -1.935 2.149 14.067 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.420 3.114 13.108 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.130 1.805 15.168 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.209 3.109 15.892 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.272 5.479 13.829 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.752 6.819 13.532 1.00 0.00 C ATOM 1213 C PHE A 73 -1.386 7.012 12.028 1.00 0.00 C ATOM 1214 O PHE A 73 -1.917 7.925 11.399 1.00 0.00 O ATOM 1215 CB PHE A 73 -0.549 7.123 14.468 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.780 6.599 15.870 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -1.951 6.856 16.564 1.00 0.00 C ATOM 1218 CD2 PHE A 73 0.169 5.789 16.466 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -2.181 6.280 17.797 1.00 0.00 C ATOM 1220 CE2 PHE A 73 -0.074 5.177 17.678 1.00 0.00 C ATOM 1221 CZ PHE A 73 -1.251 5.429 18.350 1.00 0.00 C ATOM 0 H PHE A 73 -1.552 4.922 14.289 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.546 7.540 13.726 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.354 6.673 14.056 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.381 8.199 14.505 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.692 7.514 16.136 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.117 5.633 15.974 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.095 6.498 18.330 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.656 4.502 18.100 1.00 0.00 H new ATOM 0 HZ PHE A 73 -1.442 4.962 19.305 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.495 6.169 11.375 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.155 6.267 9.907 1.00 0.00 C ATOM 1233 C LEU A 74 -1.351 6.139 8.916 1.00 0.00 C ATOM 1234 O LEU A 74 -1.430 6.890 7.947 1.00 0.00 O ATOM 1235 CB LEU A 74 0.988 5.275 9.465 1.00 0.00 C ATOM 1236 CG LEU A 74 1.608 5.560 8.068 1.00 0.00 C ATOM 1237 CD1 LEU A 74 3.036 6.126 8.171 1.00 0.00 C ATOM 1238 CD2 LEU A 74 1.551 4.323 7.157 1.00 0.00 C ATOM 0 H LEU A 74 -0.002 5.414 11.852 1.00 0.00 H new ATOM 0 HA LEU A 74 0.199 7.295 9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.783 5.306 10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.588 4.261 9.467 1.00 0.00 H new ATOM 0 HG LEU A 74 0.995 6.333 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.428 6.309 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.017 7.061 8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.676 5.409 8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.994 4.562 6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.106 3.506 7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.513 4.022 7.016 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.332 5.217 9.145 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.546 5.018 8.350 1.00 0.00 C ATOM 1252 C ALA A 75 -4.624 6.130 8.373 1.00 0.00 C ATOM 1253 O ALA A 75 -5.546 6.104 7.563 1.00 0.00 O ATOM 1254 CB ALA A 75 -4.165 3.639 8.666 1.00 0.00 C ATOM 0 H ALA A 75 -2.279 4.569 9.931 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.185 5.071 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.067 3.500 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.447 2.854 8.426 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.418 3.588 9.725 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.547 7.142 9.298 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.466 8.266 9.476 1.00 0.00 C ATOM 1262 C ALA A 76 -5.360 9.404 8.437 1.00 0.00 C ATOM 1263 O ALA A 76 -5.973 10.459 8.574 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.320 8.811 10.920 1.00 0.00 C ATOM 0 H ALA A 76 -3.782 7.175 9.972 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.464 7.863 9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.001 9.650 11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.561 8.022 11.633 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.295 9.145 11.081 1.00 0.00 H new ATOM 1270 N ASN A 77 -4.559 9.207 7.364 1.00 0.00 N ATOM 1271 CA ASN A 77 -4.351 10.117 6.255 1.00 0.00 C ATOM 1272 C ASN A 77 -4.466 9.288 4.978 1.00 0.00 C ATOM 1273 O ASN A 77 -4.590 8.066 5.021 1.00 0.00 O ATOM 1274 CB ASN A 77 -3.001 10.905 6.378 1.00 0.00 C ATOM 1275 CG ASN A 77 -1.778 10.003 6.588 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -1.134 9.566 5.634 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -1.450 9.699 7.869 1.00 0.00 N ATOM 0 H ASN A 77 -4.015 8.350 7.260 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.106 10.903 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.853 11.498 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.073 11.604 7.211 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.652 9.094 8.061 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.002 10.076 8.640 1.00 0.00 H new ATOM 1284 N GLU A 78 -4.417 9.941 3.794 1.00 0.00 N ATOM 1285 CA GLU A 78 -4.483 9.304 2.486 1.00 0.00 C ATOM 1286 C GLU A 78 -3.119 9.457 1.833 1.00 0.00 C ATOM 1287 O GLU A 78 -2.539 10.541 1.865 1.00 0.00 O ATOM 1288 CB GLU A 78 -5.603 9.952 1.619 1.00 0.00 C ATOM 1289 CG GLU A 78 -5.855 9.300 0.241 1.00 0.00 C ATOM 1290 CD GLU A 78 -6.244 7.830 0.401 1.00 0.00 C ATOM 1291 OE1 GLU A 78 -7.291 7.560 1.051 1.00 0.00 O ATOM 1292 OE2 GLU A 78 -5.503 6.957 -0.126 1.00 0.00 O ATOM 0 H GLU A 78 -4.328 10.955 3.736 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.731 8.247 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.534 9.928 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.352 11.001 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.648 9.836 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.958 9.379 -0.374 1.00 0.00 H new ATOM 1299 N SER A 79 -2.576 8.369 1.240 1.00 0.00 N ATOM 1300 CA SER A 79 -1.262 8.357 0.613 1.00 0.00 C ATOM 1301 C SER A 79 -1.334 7.521 -0.659 1.00 0.00 C ATOM 1302 O SER A 79 -2.412 7.238 -1.181 1.00 0.00 O ATOM 1303 CB SER A 79 -0.187 7.856 1.633 1.00 0.00 C ATOM 1304 OG SER A 79 1.159 8.077 1.205 1.00 0.00 O ATOM 0 H SER A 79 -3.056 7.470 1.190 1.00 0.00 H new ATOM 0 HA SER A 79 -0.955 9.362 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.343 8.359 2.587 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.333 6.790 1.807 1.00 0.00 H new ATOM 0 HG SER A 79 1.778 7.743 1.887 1.00 0.00 H new ATOM 1310 N ARG A 80 -0.153 7.110 -1.191 1.00 0.00 N ATOM 1311 CA ARG A 80 0.006 6.371 -2.445 1.00 0.00 C ATOM 1312 C ARG A 80 0.111 4.855 -2.325 1.00 0.00 C ATOM 1313 O ARG A 80 0.307 4.181 -3.336 1.00 0.00 O ATOM 1314 CB ARG A 80 1.180 6.932 -3.298 1.00 0.00 C ATOM 1315 CG ARG A 80 0.946 8.343 -3.880 1.00 0.00 C ATOM 1316 CD ARG A 80 0.307 8.357 -5.285 1.00 0.00 C ATOM 1317 NE ARG A 80 -1.094 7.813 -5.211 1.00 0.00 N ATOM 1318 CZ ARG A 80 -1.817 7.417 -6.304 1.00 0.00 C ATOM 1319 NH1 ARG A 80 -1.319 7.561 -7.565 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -3.052 6.864 -6.122 1.00 0.00 N ATOM 0 H ARG A 80 0.739 7.297 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.941 6.542 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.079 6.954 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.373 6.243 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.306 8.902 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.901 8.867 -3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.292 9.374 -5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.904 7.758 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.531 7.735 -4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.395 7.969 -7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.871 7.261 -8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.426 6.750 -5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.601 6.565 -6.928 1.00 0.00 H new ATOM 1334 N VAL A 81 -0.054 4.241 -1.115 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.093 2.773 -0.992 1.00 0.00 C ATOM 1336 C VAL A 81 -1.522 2.313 -0.644 1.00 0.00 C ATOM 1337 O VAL A 81 -2.228 2.958 0.139 1.00 0.00 O ATOM 1338 CB VAL A 81 1.051 2.210 -0.124 1.00 0.00 C ATOM 1339 CG1 VAL A 81 0.666 1.853 1.327 1.00 0.00 C ATOM 1340 CG2 VAL A 81 1.735 1.024 -0.852 1.00 0.00 C ATOM 0 H VAL A 81 -0.159 4.741 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 81 0.125 2.317 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 81 1.763 3.027 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.540 1.466 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.302 2.745 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.117 1.095 1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.541 0.633 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.003 0.237 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.142 1.367 -1.803 1.00 0.00 H new ATOM 1350 N ARG A 82 -1.978 1.182 -1.267 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.319 0.614 -1.167 1.00 0.00 C ATOM 1352 C ARG A 82 -3.269 -0.805 -0.621 1.00 0.00 C ATOM 1353 O ARG A 82 -2.411 -1.596 -1.018 1.00 0.00 O ATOM 1354 CB ARG A 82 -3.959 0.602 -2.588 1.00 0.00 C ATOM 1355 CG ARG A 82 -5.435 0.153 -2.675 1.00 0.00 C ATOM 1356 CD ARG A 82 -5.626 -1.286 -3.191 1.00 0.00 C ATOM 1357 NE ARG A 82 -7.076 -1.677 -3.083 1.00 0.00 N ATOM 1358 CZ ARG A 82 -8.016 -1.442 -4.052 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -7.689 -0.821 -5.221 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -9.305 -1.841 -3.838 1.00 0.00 N ATOM 0 H ARG A 82 -1.374 0.631 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.914 1.220 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.883 1.606 -3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.365 -0.054 -3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.888 0.236 -1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.974 0.837 -3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.297 -1.357 -4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.010 -1.975 -2.613 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.379 -2.149 -2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.728 -0.521 -5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.405 -0.656 -5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.557 -2.307 -2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.016 -1.673 -4.550 1.00 0.00 H new ATOM 1374 N THR A 83 -4.211 -1.167 0.304 1.00 0.00 N ATOM 1375 CA THR A 83 -4.360 -2.496 0.920 1.00 0.00 C ATOM 1376 C THR A 83 -5.573 -3.235 0.362 1.00 0.00 C ATOM 1377 O THR A 83 -6.652 -2.667 0.189 1.00 0.00 O ATOM 1378 CB THR A 83 -4.449 -2.511 2.464 1.00 0.00 C ATOM 1379 OG1 THR A 83 -3.793 -1.394 3.045 1.00 0.00 O ATOM 1380 CG2 THR A 83 -3.749 -3.769 3.004 1.00 0.00 C ATOM 0 H THR A 83 -4.908 -0.504 0.644 1.00 0.00 H new ATOM 0 HA THR A 83 -3.431 -3.001 0.655 1.00 0.00 H new ATOM 0 HB THR A 83 -5.508 -2.487 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.832 -1.447 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.811 -3.781 4.092 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.237 -4.657 2.603 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.702 -3.762 2.700 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.414 -4.558 0.096 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.488 -5.445 -0.347 1.00 0.00 C ATOM 1390 C GLU A 84 -6.231 -6.852 0.185 1.00 0.00 C ATOM 1391 O GLU A 84 -5.102 -7.171 0.558 1.00 0.00 O ATOM 1392 CB GLU A 84 -6.652 -5.446 -1.897 1.00 0.00 C ATOM 1393 CG GLU A 84 -5.342 -5.671 -2.683 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.655 -5.631 -4.180 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -6.251 -4.618 -4.637 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.299 -6.609 -4.889 1.00 0.00 O ATOM 0 H GLU A 84 -4.516 -5.032 0.189 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.429 -5.072 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.364 -6.224 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.085 -4.494 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.612 -4.902 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.901 -6.631 -2.415 1.00 0.00 H new ATOM 1403 N THR A 85 -7.253 -7.760 0.209 1.00 0.00 N ATOM 1404 CA THR A 85 -7.079 -9.195 0.519 1.00 0.00 C ATOM 1405 C THR A 85 -7.053 -9.904 -0.836 1.00 0.00 C ATOM 1406 O THR A 85 -8.049 -9.908 -1.559 1.00 0.00 O ATOM 1407 CB THR A 85 -8.145 -9.817 1.438 1.00 0.00 C ATOM 1408 OG1 THR A 85 -8.792 -8.837 2.232 1.00 0.00 O ATOM 1409 CG2 THR A 85 -7.438 -10.763 2.423 1.00 0.00 C ATOM 0 H THR A 85 -8.221 -7.505 0.012 1.00 0.00 H new ATOM 0 HA THR A 85 -6.161 -9.314 1.095 1.00 0.00 H new ATOM 0 HB THR A 85 -8.875 -10.321 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.463 -9.268 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.176 -11.216 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.920 -11.545 1.868 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.717 -10.199 3.015 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.885 -10.461 -1.254 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.726 -10.937 -2.624 1.00 0.00 C ATOM 1419 C ARG A 86 -4.974 -12.253 -2.655 1.00 0.00 C ATOM 1420 O ARG A 86 -4.080 -12.476 -1.838 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.977 -9.835 -3.439 1.00 0.00 C ATOM 1422 CG ARG A 86 -4.792 -10.083 -4.952 1.00 0.00 C ATOM 1423 CD ARG A 86 -6.118 -10.178 -5.724 1.00 0.00 C ATOM 1424 NE ARG A 86 -5.813 -10.382 -7.187 1.00 0.00 N ATOM 1425 CZ ARG A 86 -5.880 -11.590 -7.831 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -6.274 -12.721 -7.178 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -5.547 -11.661 -9.154 1.00 0.00 N ATOM 0 H ARG A 86 -5.063 -10.583 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.703 -11.122 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.516 -8.896 -3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.991 -9.698 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.192 -9.277 -5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.230 -11.006 -5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.718 -11.005 -5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.703 -9.269 -5.583 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.538 -9.566 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.526 -12.678 -6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.317 -13.609 -7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.252 -10.821 -9.652 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.593 -12.554 -9.644 1.00 0.00 H new ATOM 1441 N ARG A 87 -5.319 -13.153 -3.631 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.710 -14.454 -3.886 1.00 0.00 C ATOM 1443 C ARG A 87 -3.464 -14.326 -4.767 1.00 0.00 C ATOM 1444 O ARG A 87 -3.529 -13.817 -5.882 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.720 -15.456 -4.501 1.00 0.00 C ATOM 1446 CG ARG A 87 -5.229 -16.919 -4.511 1.00 0.00 C ATOM 1447 CD ARG A 87 -6.231 -17.920 -5.115 1.00 0.00 C ATOM 1448 NE ARG A 87 -7.511 -17.926 -4.316 1.00 0.00 N ATOM 1449 CZ ARG A 87 -7.678 -18.597 -3.132 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -6.669 -19.335 -2.586 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -8.878 -18.518 -2.484 1.00 0.00 N ATOM 0 H ARG A 87 -6.076 -12.955 -4.285 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.400 -14.853 -2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.655 -15.402 -3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.941 -15.151 -5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.296 -16.973 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.003 -17.221 -3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.442 -17.654 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.796 -18.919 -5.125 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.303 -17.397 -4.680 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.768 -19.396 -3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.816 -19.826 -1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.637 -17.965 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.015 -19.012 -1.602 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.285 -14.765 -4.265 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.982 -14.602 -4.899 1.00 0.00 C ATOM 1467 C ILE A 88 -0.226 -15.904 -4.732 1.00 0.00 C ATOM 1468 O ILE A 88 0.002 -16.360 -3.616 1.00 0.00 O ATOM 1469 CB ILE A 88 -0.203 -13.399 -4.323 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.326 -13.258 -2.778 1.00 0.00 C ATOM 1471 CG2 ILE A 88 -0.708 -12.144 -5.068 1.00 0.00 C ATOM 1472 CD1 ILE A 88 0.165 -11.924 -2.206 1.00 0.00 C ATOM 0 H ILE A 88 -2.228 -15.259 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.109 -14.380 -5.959 1.00 0.00 H new ATOM 0 HB ILE A 88 0.865 -13.545 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.371 -13.393 -2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.236 -14.066 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.185 -11.264 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.517 -12.253 -6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.779 -12.028 -4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.038 -11.923 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.220 -11.791 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.412 -11.108 -2.640 1.00 0.00 H new ATOM 1484 N GLY A 89 0.129 -16.591 -5.865 1.00 0.00 N ATOM 1485 CA GLY A 89 0.815 -17.924 -5.868 1.00 0.00 C ATOM 1486 C GLY A 89 -0.074 -19.070 -5.429 1.00 0.00 C ATOM 1487 O GLY A 89 0.396 -20.111 -4.984 1.00 0.00 O ATOM 0 H GLY A 89 -0.054 -16.233 -6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.187 -18.129 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.683 -17.877 -5.210 1.00 0.00 H new ATOM 1491 N GLY A 90 -1.409 -18.855 -5.518 1.00 0.00 N ATOM 1492 CA GLY A 90 -2.457 -19.778 -5.045 1.00 0.00 C ATOM 1493 C GLY A 90 -2.877 -19.603 -3.594 1.00 0.00 C ATOM 1494 O GLY A 90 -3.589 -20.456 -3.074 1.00 0.00 O ATOM 0 H GLY A 90 -1.793 -18.007 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.337 -19.656 -5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.105 -20.801 -5.183 1.00 0.00 H new ATOM 1498 N ALA A 91 -2.476 -18.515 -2.874 1.00 0.00 N ATOM 1499 CA ALA A 91 -2.825 -18.342 -1.472 1.00 0.00 C ATOM 1500 C ALA A 91 -3.194 -16.883 -1.246 1.00 0.00 C ATOM 1501 O ALA A 91 -2.540 -15.988 -1.778 1.00 0.00 O ATOM 1502 CB ALA A 91 -1.637 -18.764 -0.581 1.00 0.00 C ATOM 0 H ALA A 91 -1.912 -17.758 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.676 -18.970 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.904 -18.632 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.398 -19.811 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.770 -18.147 -0.815 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.279 -16.596 -0.475 1.00 0.00 N ATOM 1509 CA ASP A 92 -4.798 -15.254 -0.192 1.00 0.00 C ATOM 1510 C ASP A 92 -4.348 -14.692 1.164 1.00 0.00 C ATOM 1511 O ASP A 92 -4.582 -15.296 2.205 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.346 -15.132 -0.399 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.177 -16.108 0.450 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.087 -17.342 0.212 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -7.921 -15.621 1.342 1.00 0.00 O ATOM 0 H ASP A 92 -4.827 -17.328 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.337 -14.617 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.653 -14.113 -0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.574 -15.299 -1.452 1.00 0.00 H new ATOM 1520 N PHE A 93 -3.687 -13.508 1.185 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.149 -12.865 2.376 1.00 0.00 C ATOM 1522 C PHE A 93 -3.744 -11.478 2.437 1.00 0.00 C ATOM 1523 O PHE A 93 -4.319 -11.013 1.450 1.00 0.00 O ATOM 1524 CB PHE A 93 -1.594 -12.686 2.272 1.00 0.00 C ATOM 1525 CG PHE A 93 -0.927 -14.017 2.018 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -0.623 -14.911 3.029 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -0.644 -14.383 0.716 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -0.060 -16.143 2.733 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.085 -15.602 0.412 1.00 0.00 C ATOM 1530 CZ PHE A 93 0.203 -16.493 1.422 1.00 0.00 C ATOM 0 H PHE A 93 -3.516 -12.969 0.336 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.385 -13.476 3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.354 -11.992 1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.209 -12.249 3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.826 -14.647 4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.868 -13.693 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.174 -16.832 3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.127 -15.860 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.631 -17.457 1.191 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.504 -10.726 3.561 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.731 -9.280 3.609 1.00 0.00 C ATOM 1542 C LEU A 94 -2.356 -8.717 3.231 1.00 0.00 C ATOM 1543 O LEU A 94 -1.349 -8.967 3.896 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.312 -8.686 4.917 1.00 0.00 C ATOM 1545 CG LEU A 94 -5.038 -7.328 4.684 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.407 -7.529 3.993 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -5.299 -6.614 6.022 1.00 0.00 C ATOM 0 H LEU A 94 -3.153 -11.118 4.435 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.539 -8.997 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.011 -9.398 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.506 -8.545 5.637 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.384 -6.731 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.886 -6.561 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.260 -8.011 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.042 -8.156 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.807 -5.668 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.925 -7.244 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.350 -6.424 6.524 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.322 -8.061 2.055 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.126 -7.702 1.317 1.00 0.00 C ATOM 1561 C VAL A 95 -1.248 -6.233 0.904 1.00 0.00 C ATOM 1562 O VAL A 95 -2.354 -5.716 0.694 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.071 -8.705 0.137 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -2.233 -8.564 -0.885 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.269 -8.671 -0.608 1.00 0.00 C ATOM 0 H VAL A 95 -3.175 -7.759 1.584 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.194 -7.772 1.878 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.186 -9.673 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.114 -9.305 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.185 -8.724 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.217 -7.564 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.250 -9.394 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.436 -7.672 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.075 -8.923 0.081 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.106 -5.517 0.750 1.00 0.00 N ATOM 1576 CA TRP A 96 -0.124 -4.119 0.225 1.00 0.00 C ATOM 1577 C TRP A 96 0.346 -4.170 -1.243 1.00 0.00 C ATOM 1578 O TRP A 96 0.872 -5.175 -1.719 1.00 0.00 O ATOM 1579 CB TRP A 96 0.883 -3.248 1.058 1.00 0.00 C ATOM 1580 CG TRP A 96 0.308 -2.404 2.191 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.762 -1.561 2.147 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.945 -2.168 3.460 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.851 -0.827 3.310 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.218 -1.170 4.114 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.061 -2.713 4.023 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.626 -0.683 5.329 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.441 -2.253 5.267 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.767 -1.226 5.893 1.00 0.00 C ATOM 0 H TRP A 96 0.824 -5.871 0.975 1.00 0.00 H new ATOM 0 HA TRP A 96 -1.122 -3.687 0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.634 -3.914 1.482 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.401 -2.580 0.369 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.446 -1.479 1.315 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.579 -0.149 3.537 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.628 -3.478 3.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.075 0.099 5.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.286 -2.708 5.762 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.133 -0.841 6.833 1.00 0.00 H new ATOM 1599 N ARG A 97 0.212 -3.052 -1.999 1.00 0.00 N ATOM 1600 CA ARG A 97 0.767 -2.921 -3.347 1.00 0.00 C ATOM 1601 C ARG A 97 0.905 -1.437 -3.632 1.00 0.00 C ATOM 1602 O ARG A 97 0.165 -0.636 -3.040 1.00 0.00 O ATOM 1603 CB ARG A 97 -0.078 -3.630 -4.440 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.494 -3.059 -4.644 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.374 -3.977 -5.504 1.00 0.00 C ATOM 1606 NE ARG A 97 -3.662 -3.262 -5.823 1.00 0.00 N ATOM 1607 CZ ARG A 97 -3.856 -2.502 -6.947 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -2.879 -2.374 -7.890 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -5.048 -1.858 -7.122 1.00 0.00 N ATOM 0 H ARG A 97 -0.287 -2.221 -1.680 1.00 0.00 H new ATOM 0 HA ARG A 97 1.734 -3.423 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.460 -3.573 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.162 -4.686 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.967 -2.911 -3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.424 -2.079 -5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.854 -4.244 -6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.580 -4.906 -4.973 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.435 -3.349 -5.163 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.985 -2.848 -7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.043 -1.804 -8.720 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.783 -1.945 -6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.203 -1.290 -7.955 1.00 0.00 H new ATOM 1623 N TRP A 98 1.856 -1.039 -4.538 1.00 0.00 N ATOM 1624 CA TRP A 98 2.102 0.355 -4.899 1.00 0.00 C ATOM 1625 C TRP A 98 1.323 0.836 -6.130 1.00 0.00 C ATOM 1626 O TRP A 98 1.535 0.344 -7.232 1.00 0.00 O ATOM 1627 CB TRP A 98 3.642 0.596 -5.048 1.00 0.00 C ATOM 1628 CG TRP A 98 4.043 1.986 -4.602 1.00 0.00 C ATOM 1629 CD1 TRP A 98 3.691 3.158 -5.188 1.00 0.00 C ATOM 1630 CD2 TRP A 98 4.243 2.282 -3.216 1.00 0.00 C ATOM 1631 NE1 TRP A 98 3.353 4.067 -4.253 1.00 0.00 N ATOM 1632 CE2 TRP A 98 3.686 3.539 -3.013 1.00 0.00 C ATOM 1633 CE3 TRP A 98 4.775 1.540 -2.196 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 3.628 4.073 -1.765 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 4.861 2.150 -0.965 1.00 0.00 C ATOM 1636 CH2 TRP A 98 4.264 3.380 -0.760 1.00 0.00 C ATOM 0 H TRP A 98 2.463 -1.697 -5.027 1.00 0.00 H new ATOM 0 HA TRP A 98 1.716 0.966 -4.083 1.00 0.00 H new ATOM 0 HB2 TRP A 98 4.184 -0.144 -4.459 1.00 0.00 H new ATOM 0 HB3 TRP A 98 3.933 0.451 -6.088 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.683 3.337 -6.253 1.00 0.00 H new ATOM 0 HE1 TRP A 98 2.929 4.979 -4.425 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.111 0.525 -2.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 3.107 4.999 -1.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 5.395 1.668 -0.159 1.00 0.00 H new ATOM 0 HH2 TRP A 98 4.298 3.815 0.228 1.00 0.00 H new ATOM 1647 N ILE A 99 0.428 1.851 -5.963 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.350 2.530 -7.002 1.00 0.00 C ATOM 1649 C ILE A 99 0.242 3.912 -7.177 1.00 0.00 C ATOM 1650 O ILE A 99 0.604 4.610 -6.236 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.854 2.513 -6.793 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.312 3.075 -5.423 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.239 1.035 -6.988 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.840 3.177 -5.323 1.00 0.00 C ATOM 0 H ILE A 99 0.230 2.229 -5.037 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.263 1.971 -7.934 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.358 3.177 -7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.939 2.433 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.872 4.061 -5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.315 0.919 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.960 0.716 -7.992 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.715 0.423 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.115 3.575 -4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.212 3.841 -6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.280 2.187 -5.448 1.00 0.00 H new ATOM 1666 N GLN A 100 0.534 4.249 -8.454 1.00 0.00 N ATOM 1667 CA GLN A 100 1.390 5.372 -8.796 1.00 0.00 C ATOM 1668 C GLN A 100 0.935 6.018 -10.107 1.00 0.00 C ATOM 1669 O GLN A 100 0.335 5.300 -10.907 1.00 0.00 O ATOM 1670 CB GLN A 100 2.857 4.815 -8.811 1.00 0.00 C ATOM 1671 CG GLN A 100 2.886 3.268 -8.955 1.00 0.00 C ATOM 1672 CD GLN A 100 4.255 2.647 -9.003 1.00 0.00 C ATOM 1673 OE1 GLN A 100 4.726 1.973 -8.088 1.00 0.00 O ATOM 1674 NE2 GLN A 100 4.908 2.872 -10.159 1.00 0.00 N ATOM 0 H GLN A 100 0.176 3.742 -9.263 1.00 0.00 H new ATOM 0 HA GLN A 100 1.334 6.184 -8.071 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.409 5.267 -9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.365 5.104 -7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.338 2.833 -8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.350 2.995 -9.864 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.474 3.438 -10.888 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.836 2.476 -10.306 1.00 0.00 H new