USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl -141:sc= -3.93 (180deg=-4.76!) USER MOD Set 1.2: A 49 HIS : no HD1:sc= -6.83! C(o=-11!,f=-12!) USER MOD Set 2.1: A 32 ASN : amide:sc= -0.894! K(o=-0.35!,f=-6) USER MOD Set 2.2: A 100 GLN : amide:sc= 0.548 K(o=-0.35,f=-3.5) USER MOD Set 3.1: A 31 HIS :FLIP no HE2:sc= -8.42! C(o=-12!,f=-11!) USER MOD Set 3.2: A 35 CYS SG : rot -161:sc= -2.35! USER MOD Set 3.3: A 42 GLN : amide:sc= -0.397 K(o=-11,f=-15) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -144:sc= -0.875 (180deg=-2.17!) USER MOD Single : A 23 LYS NZ :NH3+ -115:sc= 0.34 (180deg=-1.7) USER MOD Single : A 30 SER OG : rot 116:sc= 1.24 USER MOD Single : A 36 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.082) USER MOD Single : A 38 ASN : amide:sc= -0.0093 X(o=-0.0093,f=-0.34) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0926) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 101:sc= 1.28 USER MOD Single : A 56 GLN : amide:sc= 0.0967 X(o=0.097,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0758 X(o=-0.076,f=-0.074) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 176:sc= -0.621 (180deg=-0.623) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.107) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00715) USER MOD Single : A 77 ASN : amide:sc= 0.513 K(o=0.51,f=-5.9!) USER MOD Single : A 79 SER OG : rot 18:sc= 0.65 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0874 USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.493 11.751 15.591 1.00 0.00 N ATOM 285 CA TYR A 18 5.828 11.623 16.159 1.00 0.00 C ATOM 286 C TYR A 18 6.594 10.334 16.550 1.00 0.00 C ATOM 287 O TYR A 18 7.795 10.442 16.785 1.00 0.00 O ATOM 288 CB TYR A 18 5.696 12.429 17.508 1.00 0.00 C ATOM 289 CG TYR A 18 4.479 12.074 18.408 1.00 0.00 C ATOM 290 CD1 TYR A 18 3.583 11.004 18.228 1.00 0.00 C ATOM 291 CD2 TYR A 18 4.193 12.960 19.435 1.00 0.00 C ATOM 292 CE1 TYR A 18 2.373 10.930 18.889 1.00 0.00 C ATOM 293 CE2 TYR A 18 3.023 12.854 20.155 1.00 0.00 C ATOM 294 CZ TYR A 18 2.105 11.882 19.840 1.00 0.00 C ATOM 295 OH TYR A 18 0.834 11.932 20.409 1.00 0.00 O ATOM 0 HA TYR A 18 6.435 11.902 15.298 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.606 12.276 18.088 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.645 13.491 17.268 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.852 10.210 17.547 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.897 13.744 19.674 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.661 10.149 18.665 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.827 13.537 20.969 1.00 0.00 H new ATOM 0 HH TYR A 18 0.798 12.658 21.066 1.00 0.00 H new ATOM 305 N ASP A 19 5.992 9.129 16.710 1.00 0.00 N ATOM 306 CA ASP A 19 6.687 7.919 17.198 1.00 0.00 C ATOM 307 C ASP A 19 7.447 7.105 16.127 1.00 0.00 C ATOM 308 O ASP A 19 8.033 7.652 15.195 1.00 0.00 O ATOM 309 CB ASP A 19 5.709 6.984 17.973 1.00 0.00 C ATOM 310 CG ASP A 19 4.962 7.764 19.061 1.00 0.00 C ATOM 311 OD1 ASP A 19 5.642 8.345 19.948 1.00 0.00 O ATOM 312 OD2 ASP A 19 3.702 7.781 19.019 1.00 0.00 O ATOM 0 H ASP A 19 5.006 8.972 16.502 1.00 0.00 H new ATOM 0 HA ASP A 19 7.455 8.310 17.866 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.994 6.542 17.279 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.265 6.162 18.424 1.00 0.00 H new ATOM 317 N MET A 20 7.402 5.730 16.213 1.00 0.00 N ATOM 318 CA MET A 20 8.059 4.675 15.403 1.00 0.00 C ATOM 319 C MET A 20 7.805 4.756 13.906 1.00 0.00 C ATOM 320 O MET A 20 8.563 4.296 13.059 1.00 0.00 O ATOM 321 CB MET A 20 7.747 3.246 15.984 1.00 0.00 C ATOM 322 CG MET A 20 6.411 2.598 15.563 1.00 0.00 C ATOM 323 SD MET A 20 6.547 0.837 15.157 1.00 0.00 S ATOM 324 CE MET A 20 7.867 0.947 13.904 1.00 0.00 C ATOM 0 H MET A 20 6.833 5.300 16.943 1.00 0.00 H new ATOM 0 HA MET A 20 9.128 4.865 15.495 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.556 2.577 15.691 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.765 3.311 17.072 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.689 2.720 16.370 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.016 3.131 14.698 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.686 0.212 13.120 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.874 1.947 13.470 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.831 0.748 14.372 1.00 0.00 H new ATOM 334 N VAL A 21 6.661 5.393 13.608 1.00 0.00 N ATOM 335 CA VAL A 21 6.118 5.745 12.283 1.00 0.00 C ATOM 336 C VAL A 21 6.916 6.773 11.513 1.00 0.00 C ATOM 337 O VAL A 21 6.960 6.697 10.290 1.00 0.00 O ATOM 338 CB VAL A 21 4.659 6.190 12.359 1.00 0.00 C ATOM 339 CG1 VAL A 21 3.856 5.160 13.167 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.502 7.582 13.019 1.00 0.00 C ATOM 0 H VAL A 21 6.037 5.703 14.353 1.00 0.00 H new ATOM 0 HA VAL A 21 6.194 4.812 11.724 1.00 0.00 H new ATOM 0 HB VAL A 21 4.284 6.261 11.338 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.814 5.474 13.223 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.916 4.188 12.678 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.268 5.086 14.174 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.447 7.853 13.049 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.898 7.550 14.034 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.051 8.324 12.439 1.00 0.00 H new ATOM 350 N VAL A 22 7.579 7.773 12.178 1.00 0.00 N ATOM 351 CA VAL A 22 8.401 8.829 11.555 1.00 0.00 C ATOM 352 C VAL A 22 9.546 8.337 10.636 1.00 0.00 C ATOM 353 O VAL A 22 9.872 8.961 9.632 1.00 0.00 O ATOM 354 CB VAL A 22 8.717 9.986 12.515 1.00 0.00 C ATOM 355 CG1 VAL A 22 9.968 9.745 13.376 1.00 0.00 C ATOM 356 CG2 VAL A 22 8.804 11.320 11.744 1.00 0.00 C ATOM 0 H VAL A 22 7.545 7.856 13.194 1.00 0.00 H new ATOM 0 HA VAL A 22 7.759 9.292 10.805 1.00 0.00 H new ATOM 0 HB VAL A 22 7.888 10.043 13.220 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.131 10.602 14.029 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.826 8.849 13.981 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.835 9.613 12.729 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.028 12.128 12.440 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.593 11.256 10.995 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.852 11.519 11.252 1.00 0.00 H new ATOM 366 N LYS A 23 10.157 7.154 10.946 1.00 0.00 N ATOM 367 CA LYS A 23 11.102 6.413 10.108 1.00 0.00 C ATOM 368 C LYS A 23 10.489 5.673 8.909 1.00 0.00 C ATOM 369 O LYS A 23 11.151 5.426 7.903 1.00 0.00 O ATOM 370 CB LYS A 23 11.844 5.354 10.966 1.00 0.00 C ATOM 371 CG LYS A 23 12.854 5.879 12.002 1.00 0.00 C ATOM 372 CD LYS A 23 12.326 6.723 13.172 1.00 0.00 C ATOM 373 CE LYS A 23 11.156 6.091 13.935 1.00 0.00 C ATOM 374 NZ LYS A 23 10.994 6.750 15.251 1.00 0.00 N ATOM 0 H LYS A 23 9.983 6.684 11.834 1.00 0.00 H new ATOM 0 HA LYS A 23 11.763 7.181 9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.097 4.760 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.370 4.679 10.291 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.377 5.020 12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.596 6.475 11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.143 6.904 13.870 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.012 7.694 12.790 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.238 6.188 13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.335 5.025 14.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.192 6.066 16.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.657 7.548 15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.019 7.100 15.346 1.00 0.00 H new ATOM 388 N ILE A 24 9.195 5.249 8.998 1.00 0.00 N ATOM 389 CA ILE A 24 8.457 4.470 7.986 1.00 0.00 C ATOM 390 C ILE A 24 8.010 5.306 6.813 1.00 0.00 C ATOM 391 O ILE A 24 8.040 4.828 5.691 1.00 0.00 O ATOM 392 CB ILE A 24 7.507 3.352 8.467 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.335 2.046 8.753 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.330 3.103 7.488 1.00 0.00 C ATOM 395 CD1 ILE A 24 9.200 2.317 9.986 1.00 0.00 C ATOM 0 H ILE A 24 8.622 5.455 9.817 1.00 0.00 H new ATOM 0 HA ILE A 24 9.219 3.806 7.579 1.00 0.00 H new ATOM 0 HB ILE A 24 7.039 3.678 9.396 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.670 1.200 8.928 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.957 1.790 7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.695 2.307 7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.744 4.016 7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.722 2.811 6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.792 1.431 10.217 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.866 3.156 9.786 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.559 2.557 10.834 1.00 0.00 H new ATOM 407 N ILE A 25 7.634 6.599 6.973 1.00 0.00 N ATOM 408 CA ILE A 25 7.258 7.537 5.883 1.00 0.00 C ATOM 409 C ILE A 25 8.299 7.664 4.734 1.00 0.00 C ATOM 410 O ILE A 25 7.947 7.819 3.562 1.00 0.00 O ATOM 411 CB ILE A 25 6.754 8.889 6.403 1.00 0.00 C ATOM 412 CG1 ILE A 25 7.839 9.716 7.142 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.501 8.610 7.266 1.00 0.00 C ATOM 414 CD1 ILE A 25 7.283 10.775 8.103 1.00 0.00 C ATOM 0 H ILE A 25 7.582 7.033 7.895 1.00 0.00 H new ATOM 0 HA ILE A 25 6.404 7.059 5.403 1.00 0.00 H new ATOM 0 HB ILE A 25 6.490 9.529 5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.479 9.035 7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.469 10.209 6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.111 9.550 7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.739 8.126 6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.769 7.956 8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.109 11.306 8.577 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.667 11.483 7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.677 10.290 8.868 1.00 0.00 H new ATOM 426 N ASP A 26 9.608 7.467 5.099 1.00 0.00 N ATOM 427 CA ASP A 26 10.748 7.297 4.199 1.00 0.00 C ATOM 428 C ASP A 26 10.749 5.975 3.381 1.00 0.00 C ATOM 429 O ASP A 26 11.313 5.965 2.291 1.00 0.00 O ATOM 430 CB ASP A 26 12.085 7.471 4.987 1.00 0.00 C ATOM 431 CG ASP A 26 13.297 7.755 4.086 1.00 0.00 C ATOM 432 OD1 ASP A 26 13.267 8.785 3.360 1.00 0.00 O ATOM 433 OD2 ASP A 26 14.261 6.944 4.114 1.00 0.00 O ATOM 0 H ASP A 26 9.885 7.424 6.080 1.00 0.00 H new ATOM 0 HA ASP A 26 10.651 8.083 3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.973 8.288 5.700 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.277 6.567 5.565 1.00 0.00 H new ATOM 438 N VAL A 27 10.093 4.842 3.826 1.00 0.00 N ATOM 439 CA VAL A 27 9.911 3.546 3.141 1.00 0.00 C ATOM 440 C VAL A 27 9.032 3.679 1.892 1.00 0.00 C ATOM 441 O VAL A 27 9.374 3.215 0.806 1.00 0.00 O ATOM 442 CB VAL A 27 9.472 2.435 4.156 1.00 0.00 C ATOM 443 CG1 VAL A 27 7.981 2.140 4.450 1.00 0.00 C ATOM 444 CG2 VAL A 27 9.992 1.037 3.855 1.00 0.00 C ATOM 0 H VAL A 27 9.652 4.833 4.746 1.00 0.00 H new ATOM 0 HA VAL A 27 10.872 3.210 2.751 1.00 0.00 H new ATOM 0 HB VAL A 27 9.915 2.954 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.907 1.335 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.504 3.036 4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.481 1.841 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.632 0.343 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.635 0.719 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.082 1.046 3.859 1.00 0.00 H new ATOM 454 N LEU A 28 7.860 4.368 2.001 1.00 0.00 N ATOM 455 CA LEU A 28 6.927 4.614 0.909 1.00 0.00 C ATOM 456 C LEU A 28 7.316 5.642 -0.197 1.00 0.00 C ATOM 457 O LEU A 28 7.403 5.266 -1.366 1.00 0.00 O ATOM 458 CB LEU A 28 5.540 5.046 1.536 1.00 0.00 C ATOM 459 CG LEU A 28 4.787 4.120 2.566 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.066 2.601 2.523 1.00 0.00 C ATOM 461 CD2 LEU A 28 4.874 4.587 4.037 1.00 0.00 C ATOM 0 H LEU A 28 7.548 4.771 2.885 1.00 0.00 H new ATOM 0 HA LEU A 28 6.911 3.668 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.698 6.006 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.856 5.221 0.706 1.00 0.00 H new ATOM 0 HG LEU A 28 3.775 4.253 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.475 2.101 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.795 2.209 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.125 2.420 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.328 3.890 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.918 4.619 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.437 5.581 4.130 1.00 0.00 H new ATOM 473 N ARG A 29 7.671 6.917 0.181 1.00 0.00 N ATOM 474 CA ARG A 29 8.197 8.096 -0.563 1.00 0.00 C ATOM 475 C ARG A 29 9.451 7.857 -1.398 1.00 0.00 C ATOM 476 O ARG A 29 9.726 8.585 -2.341 1.00 0.00 O ATOM 477 CB ARG A 29 8.350 9.304 0.401 1.00 0.00 C ATOM 478 CG ARG A 29 8.513 10.716 -0.212 1.00 0.00 C ATOM 479 CD ARG A 29 7.256 11.323 -0.878 1.00 0.00 C ATOM 480 NE ARG A 29 7.042 10.800 -2.279 1.00 0.00 N ATOM 481 CZ ARG A 29 7.627 11.335 -3.400 1.00 0.00 C ATOM 482 NH1 ARG A 29 8.547 12.338 -3.308 1.00 0.00 N ATOM 483 NH2 ARG A 29 7.283 10.850 -4.630 1.00 0.00 N ATOM 0 H ARG A 29 7.576 7.166 1.166 1.00 0.00 H new ATOM 0 HA ARG A 29 7.446 8.321 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.476 9.323 1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.216 9.115 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.845 11.394 0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.309 10.676 -0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.380 11.097 -0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.351 12.408 -0.908 1.00 0.00 H new ATOM 0 HE ARG A 29 6.423 9.998 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.812 12.704 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.970 12.721 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.598 10.098 -4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.711 11.240 -5.470 1.00 0.00 H new ATOM 497 N SER A 30 10.259 6.853 -1.005 1.00 0.00 N ATOM 498 CA SER A 30 11.562 6.444 -1.579 1.00 0.00 C ATOM 499 C SER A 30 11.436 5.681 -2.877 1.00 0.00 C ATOM 500 O SER A 30 12.039 6.057 -3.877 1.00 0.00 O ATOM 501 CB SER A 30 12.431 5.580 -0.622 1.00 0.00 C ATOM 502 OG SER A 30 12.987 6.389 0.409 1.00 0.00 O ATOM 0 H SER A 30 10.000 6.259 -0.217 1.00 0.00 H new ATOM 0 HA SER A 30 12.055 7.400 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.823 4.788 -0.184 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.230 5.095 -1.183 1.00 0.00 H new ATOM 0 HG SER A 30 12.632 6.103 1.277 1.00 0.00 H new ATOM 508 N HIS A 31 10.590 4.609 -2.906 1.00 0.00 N ATOM 509 CA HIS A 31 10.189 3.806 -4.053 1.00 0.00 C ATOM 510 C HIS A 31 9.480 4.632 -5.131 1.00 0.00 C ATOM 511 O HIS A 31 9.651 4.491 -6.332 1.00 0.00 O ATOM 512 CB HIS A 31 9.182 2.795 -3.437 1.00 0.00 C ATOM 513 CG HIS A 31 8.390 1.953 -4.379 1.00 0.00 C ATOM 514 ND1 HIS A 31 7.252 2.208 -5.084 1.00 0.00 N flip ATOM 515 CD2 HIS A 31 8.703 0.653 -4.631 1.00 0.00 C flip ATOM 516 CE1 HIS A 31 6.857 1.081 -5.773 1.00 0.00 C flip ATOM 517 NE2 HIS A 31 7.755 0.179 -5.463 1.00 0.00 N flip ATOM 0 H HIS A 31 10.148 4.276 -2.049 1.00 0.00 H new ATOM 0 HA HIS A 31 11.049 3.353 -4.547 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.736 2.129 -2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.482 3.353 -2.815 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.763 3.103 -5.100 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.548 0.106 -4.240 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.001 0.967 -6.422 1.00 0.00 H new ATOM 525 N ASN A 32 8.657 5.565 -4.622 1.00 0.00 N ATOM 526 CA ASN A 32 7.760 6.559 -5.162 1.00 0.00 C ATOM 527 C ASN A 32 8.288 7.566 -6.161 1.00 0.00 C ATOM 528 O ASN A 32 7.575 8.002 -7.062 1.00 0.00 O ATOM 529 CB ASN A 32 7.201 7.268 -3.899 1.00 0.00 C ATOM 530 CG ASN A 32 5.704 7.208 -3.752 1.00 0.00 C ATOM 531 OD1 ASN A 32 4.916 7.997 -4.260 1.00 0.00 O ATOM 532 ND2 ASN A 32 5.299 6.214 -2.945 1.00 0.00 N ATOM 0 H ASN A 32 8.616 5.632 -3.605 1.00 0.00 H new ATOM 0 HA ASN A 32 7.034 6.043 -5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.657 6.820 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.508 8.314 -3.920 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.307 6.098 -2.738 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.983 5.575 -2.539 1.00 0.00 H new ATOM 539 N GLU A 33 9.594 7.926 -6.032 1.00 0.00 N ATOM 540 CA GLU A 33 10.345 8.805 -6.932 1.00 0.00 C ATOM 541 C GLU A 33 10.623 8.112 -8.272 1.00 0.00 C ATOM 542 O GLU A 33 10.372 8.626 -9.360 1.00 0.00 O ATOM 543 CB GLU A 33 11.677 9.226 -6.252 1.00 0.00 C ATOM 544 CG GLU A 33 11.462 9.977 -4.926 1.00 0.00 C ATOM 545 CD GLU A 33 12.796 10.495 -4.391 1.00 0.00 C ATOM 546 OE1 GLU A 33 13.410 11.365 -5.065 1.00 0.00 O ATOM 547 OE2 GLU A 33 13.218 10.030 -3.298 1.00 0.00 O ATOM 0 H GLU A 33 10.166 7.589 -5.258 1.00 0.00 H new ATOM 0 HA GLU A 33 9.747 9.693 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.281 8.338 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.243 9.860 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.775 10.809 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.001 9.313 -4.194 1.00 0.00 H new ATOM 554 N ALA A 34 11.086 6.844 -8.154 1.00 0.00 N ATOM 555 CA ALA A 34 11.291 5.860 -9.205 1.00 0.00 C ATOM 556 C ALA A 34 9.988 5.281 -9.761 1.00 0.00 C ATOM 557 O ALA A 34 9.852 4.972 -10.941 1.00 0.00 O ATOM 558 CB ALA A 34 12.167 4.727 -8.646 1.00 0.00 C ATOM 0 H ALA A 34 11.342 6.469 -7.241 1.00 0.00 H new ATOM 0 HA ALA A 34 11.778 6.366 -10.039 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.332 3.978 -9.421 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.126 5.133 -8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.665 4.265 -7.796 1.00 0.00 H new ATOM 564 N CYS A 35 8.972 5.114 -8.873 1.00 0.00 N ATOM 565 CA CYS A 35 7.656 4.545 -9.151 1.00 0.00 C ATOM 566 C CYS A 35 6.724 5.374 -9.942 1.00 0.00 C ATOM 567 O CYS A 35 5.968 4.781 -10.688 1.00 0.00 O ATOM 568 CB CYS A 35 6.929 3.994 -7.908 1.00 0.00 C ATOM 569 SG CYS A 35 5.638 2.782 -8.288 1.00 0.00 S ATOM 0 H CYS A 35 9.070 5.392 -7.897 1.00 0.00 H new ATOM 0 HA CYS A 35 7.938 3.714 -9.797 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.662 3.534 -7.245 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.483 4.825 -7.362 1.00 0.00 H new ATOM 0 HG CYS A 35 4.825 2.683 -7.278 1.00 0.00 H new ATOM 575 N GLN A 36 6.766 6.727 -9.854 1.00 0.00 N ATOM 576 CA GLN A 36 5.962 7.662 -10.648 1.00 0.00 C ATOM 577 C GLN A 36 6.329 7.653 -12.135 1.00 0.00 C ATOM 578 O GLN A 36 5.628 8.200 -12.973 1.00 0.00 O ATOM 579 CB GLN A 36 5.829 9.080 -10.007 1.00 0.00 C ATOM 580 CG GLN A 36 7.058 10.010 -10.019 1.00 0.00 C ATOM 581 CD GLN A 36 7.117 10.776 -11.339 1.00 0.00 C ATOM 582 OE1 GLN A 36 6.399 11.752 -11.576 1.00 0.00 O ATOM 583 NE2 GLN A 36 8.025 10.308 -12.229 1.00 0.00 N ATOM 0 H GLN A 36 7.387 7.205 -9.201 1.00 0.00 H new ATOM 0 HA GLN A 36 4.942 7.278 -10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.016 9.599 -10.515 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.524 8.947 -8.969 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.004 10.709 -9.185 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.969 9.426 -9.887 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.599 9.498 -11.994 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.135 10.765 -13.134 1.00 0.00 H new ATOM 592 N GLU A 37 7.490 7.018 -12.490 1.00 0.00 N ATOM 593 CA GLU A 37 8.015 6.880 -13.854 1.00 0.00 C ATOM 594 C GLU A 37 7.284 5.763 -14.597 1.00 0.00 C ATOM 595 O GLU A 37 7.099 5.772 -15.809 1.00 0.00 O ATOM 596 CB GLU A 37 9.563 6.675 -13.818 1.00 0.00 C ATOM 597 CG GLU A 37 10.129 5.243 -14.001 1.00 0.00 C ATOM 598 CD GLU A 37 10.476 4.948 -15.463 1.00 0.00 C ATOM 599 OE1 GLU A 37 11.316 5.695 -16.035 1.00 0.00 O ATOM 600 OE2 GLU A 37 9.918 3.968 -16.024 1.00 0.00 O ATOM 0 H GLU A 37 8.094 6.579 -11.796 1.00 0.00 H new ATOM 0 HA GLU A 37 7.830 7.799 -14.411 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.998 7.304 -14.595 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.924 7.054 -12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.020 5.124 -13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.398 4.516 -13.648 1.00 0.00 H new ATOM 607 N ASN A 38 6.859 4.787 -13.778 1.00 0.00 N ATOM 608 CA ASN A 38 6.126 3.578 -14.023 1.00 0.00 C ATOM 609 C ASN A 38 4.769 3.828 -13.412 1.00 0.00 C ATOM 610 O ASN A 38 4.485 4.884 -12.858 1.00 0.00 O ATOM 611 CB ASN A 38 6.809 2.418 -13.239 1.00 0.00 C ATOM 612 CG ASN A 38 8.052 1.976 -13.998 1.00 0.00 C ATOM 613 OD1 ASN A 38 8.022 1.722 -15.200 1.00 0.00 O ATOM 614 ND2 ASN A 38 9.178 1.842 -13.253 1.00 0.00 N ATOM 0 H ASN A 38 7.066 4.862 -12.782 1.00 0.00 H new ATOM 0 HA ASN A 38 6.077 3.320 -15.081 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.077 2.748 -12.235 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.119 1.582 -13.126 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.042 1.520 -13.688 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.160 2.064 -12.258 1.00 0.00 H new ATOM 621 N LYS A 39 3.873 2.831 -13.443 1.00 0.00 N ATOM 622 CA LYS A 39 2.711 2.879 -12.570 1.00 0.00 C ATOM 623 C LYS A 39 2.999 2.197 -11.207 1.00 0.00 C ATOM 624 O LYS A 39 2.427 2.541 -10.183 1.00 0.00 O ATOM 625 CB LYS A 39 1.433 2.336 -13.283 1.00 0.00 C ATOM 626 CG LYS A 39 1.318 0.822 -13.574 1.00 0.00 C ATOM 627 CD LYS A 39 0.578 0.048 -12.466 1.00 0.00 C ATOM 628 CE LYS A 39 -0.954 0.180 -12.444 1.00 0.00 C ATOM 629 NZ LYS A 39 -1.560 -0.370 -13.680 1.00 0.00 N ATOM 0 H LYS A 39 3.933 2.010 -14.045 1.00 0.00 H new ATOM 0 HA LYS A 39 2.500 3.924 -12.343 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.573 2.620 -12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.340 2.861 -14.234 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.796 0.679 -14.520 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.318 0.404 -13.695 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.828 -1.009 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.963 0.380 -11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.354 -0.344 -11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.229 1.229 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.592 -0.423 -13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.331 0.249 -14.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.182 -1.322 -13.858 1.00 0.00 H new ATOM 643 N ASP A 40 3.790 1.103 -11.193 1.00 0.00 N ATOM 644 CA ASP A 40 4.083 0.245 -10.082 1.00 0.00 C ATOM 645 C ASP A 40 5.421 -0.479 -10.214 1.00 0.00 C ATOM 646 O ASP A 40 5.467 -1.523 -10.845 1.00 0.00 O ATOM 647 CB ASP A 40 2.892 -0.689 -9.649 1.00 0.00 C ATOM 648 CG ASP A 40 2.391 -1.801 -10.591 1.00 0.00 C ATOM 649 OD1 ASP A 40 2.991 -2.060 -11.664 1.00 0.00 O ATOM 650 OD2 ASP A 40 1.329 -2.385 -10.237 1.00 0.00 O ATOM 0 H ASP A 40 4.267 0.793 -12.040 1.00 0.00 H new ATOM 0 HA ASP A 40 4.205 0.922 -9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.181 -1.166 -8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.041 -0.045 -9.430 1.00 0.00 H new ATOM 655 N LEU A 41 6.556 -0.089 -9.601 1.00 0.00 N ATOM 656 CA LEU A 41 7.684 -1.051 -9.460 1.00 0.00 C ATOM 657 C LEU A 41 7.481 -2.203 -8.385 1.00 0.00 C ATOM 658 O LEU A 41 8.124 -3.247 -8.428 1.00 0.00 O ATOM 659 CB LEU A 41 9.050 -0.351 -9.492 1.00 0.00 C ATOM 660 CG LEU A 41 9.299 0.563 -8.300 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.268 -0.117 -7.339 1.00 0.00 C ATOM 662 CD2 LEU A 41 9.772 1.934 -8.759 1.00 0.00 C ATOM 0 H LEU A 41 6.721 0.838 -9.210 1.00 0.00 H new ATOM 0 HA LEU A 41 7.677 -1.659 -10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.835 -1.107 -9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.127 0.233 -10.409 1.00 0.00 H new ATOM 0 HG LEU A 41 8.368 0.735 -7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.449 0.534 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.839 -1.058 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.210 -0.314 -7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.943 2.569 -7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.700 1.829 -9.321 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.012 2.387 -9.395 1.00 0.00 H new ATOM 674 N GLN A 42 6.487 -2.041 -7.464 1.00 0.00 N ATOM 675 CA GLN A 42 5.849 -2.861 -6.438 1.00 0.00 C ATOM 676 C GLN A 42 4.496 -3.521 -6.726 1.00 0.00 C ATOM 677 O GLN A 42 3.689 -3.395 -5.798 1.00 0.00 O ATOM 678 CB GLN A 42 6.068 -2.465 -4.955 1.00 0.00 C ATOM 679 CG GLN A 42 7.189 -3.292 -4.275 1.00 0.00 C ATOM 680 CD GLN A 42 8.539 -3.260 -4.986 1.00 0.00 C ATOM 681 OE1 GLN A 42 9.289 -2.290 -4.880 1.00 0.00 O ATOM 682 NE2 GLN A 42 8.864 -4.357 -5.710 1.00 0.00 N ATOM 0 H GLN A 42 6.037 -1.126 -7.443 1.00 0.00 H new ATOM 0 HA GLN A 42 6.518 -3.709 -6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.319 -1.406 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.137 -2.602 -4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.323 -2.925 -3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.860 -4.328 -4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.212 -5.139 -5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.761 -4.401 -6.194 1.00 0.00 H new ATOM 691 N PRO A 43 4.042 -4.086 -7.902 1.00 0.00 N ATOM 692 CA PRO A 43 2.685 -4.632 -8.193 1.00 0.00 C ATOM 693 C PRO A 43 1.998 -5.483 -7.074 1.00 0.00 C ATOM 694 O PRO A 43 0.770 -5.522 -7.075 1.00 0.00 O ATOM 695 CB PRO A 43 2.840 -5.407 -9.522 1.00 0.00 C ATOM 696 CG PRO A 43 4.345 -5.617 -9.699 1.00 0.00 C ATOM 697 CD PRO A 43 4.942 -4.389 -9.012 1.00 0.00 C ATOM 0 HA PRO A 43 1.985 -3.799 -8.255 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.312 -6.360 -9.484 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.421 -4.844 -10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.681 -6.544 -9.234 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.625 -5.668 -10.751 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.952 -4.591 -8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.011 -3.548 -9.702 1.00 0.00 H new ATOM 705 N TYR A 44 2.763 -6.112 -6.130 1.00 0.00 N ATOM 706 CA TYR A 44 2.330 -6.758 -4.898 1.00 0.00 C ATOM 707 C TYR A 44 3.513 -6.728 -3.905 1.00 0.00 C ATOM 708 O TYR A 44 4.668 -6.752 -4.337 1.00 0.00 O ATOM 709 CB TYR A 44 1.923 -8.265 -5.075 1.00 0.00 C ATOM 710 CG TYR A 44 0.783 -8.462 -6.066 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.489 -7.983 -5.770 1.00 0.00 C ATOM 712 CD2 TYR A 44 0.965 -9.088 -7.302 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.540 -8.157 -6.651 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.093 -9.263 -8.177 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.347 -8.806 -7.849 1.00 0.00 C ATOM 716 OH TYR A 44 -2.425 -8.992 -8.739 1.00 0.00 O ATOM 0 H TYR A 44 3.775 -6.172 -6.242 1.00 0.00 H new ATOM 0 HA TYR A 44 1.450 -6.215 -4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.791 -8.833 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.630 -8.672 -4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.658 -7.467 -4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.947 -9.441 -7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.520 -7.781 -6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.068 -9.761 -9.122 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.112 -9.468 -9.537 1.00 0.00 H new ATOM 726 N MET A 45 3.236 -6.695 -2.568 1.00 0.00 N ATOM 727 CA MET A 45 4.156 -6.774 -1.411 1.00 0.00 C ATOM 728 C MET A 45 3.406 -7.405 -0.210 1.00 0.00 C ATOM 729 O MET A 45 2.200 -7.185 -0.140 1.00 0.00 O ATOM 730 CB MET A 45 4.682 -5.402 -0.832 1.00 0.00 C ATOM 731 CG MET A 45 5.207 -4.349 -1.826 1.00 0.00 C ATOM 732 SD MET A 45 4.552 -2.667 -1.542 1.00 0.00 S ATOM 733 CE MET A 45 6.088 -1.774 -1.171 1.00 0.00 C ATOM 0 H MET A 45 2.270 -6.604 -2.253 1.00 0.00 H new ATOM 0 HA MET A 45 5.002 -7.338 -1.805 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.871 -4.948 -0.262 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.483 -5.623 -0.126 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.295 -4.319 -1.767 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.952 -4.661 -2.839 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.907 -1.055 -0.372 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.853 -2.483 -0.855 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.427 -1.248 -2.063 1.00 0.00 H new ATOM 743 N PRO A 46 3.918 -8.164 0.796 1.00 0.00 N ATOM 744 CA PRO A 46 3.155 -8.522 2.013 1.00 0.00 C ATOM 745 C PRO A 46 3.095 -7.346 3.031 1.00 0.00 C ATOM 746 O PRO A 46 3.719 -6.309 2.810 1.00 0.00 O ATOM 747 CB PRO A 46 4.038 -9.655 2.589 1.00 0.00 C ATOM 748 CG PRO A 46 5.473 -9.208 2.279 1.00 0.00 C ATOM 749 CD PRO A 46 5.304 -8.645 0.854 1.00 0.00 C ATOM 0 HA PRO A 46 2.117 -8.785 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.881 -9.776 3.661 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.810 -10.614 2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.831 -8.454 2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.180 -10.037 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.010 -7.837 0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.487 -9.413 0.102 1.00 0.00 H new ATOM 757 N ILE A 47 2.403 -7.502 4.209 1.00 0.00 N ATOM 758 CA ILE A 47 2.332 -6.557 5.353 1.00 0.00 C ATOM 759 C ILE A 47 3.743 -6.402 5.972 1.00 0.00 C ATOM 760 O ILE A 47 4.215 -5.266 6.080 1.00 0.00 O ATOM 761 CB ILE A 47 1.175 -6.842 6.348 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.229 -6.904 5.678 1.00 0.00 C ATOM 763 CG2 ILE A 47 1.170 -5.855 7.544 1.00 0.00 C ATOM 764 CD1 ILE A 47 -0.700 -5.604 5.007 1.00 0.00 C ATOM 0 H ILE A 47 1.852 -8.343 4.384 1.00 0.00 H new ATOM 0 HA ILE A 47 2.040 -5.574 4.983 1.00 0.00 H new ATOM 0 HB ILE A 47 1.380 -7.841 6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.220 -7.696 4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.961 -7.188 6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.342 -6.096 8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.111 -5.938 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.053 -4.836 7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.688 -5.756 4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.749 -4.808 5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.003 -5.324 4.222 1.00 0.00 H new ATOM 776 N PRO A 48 4.513 -7.477 6.348 1.00 0.00 N ATOM 777 CA PRO A 48 5.943 -7.503 6.586 1.00 0.00 C ATOM 778 C PRO A 48 6.889 -6.899 5.554 1.00 0.00 C ATOM 779 O PRO A 48 8.041 -6.750 5.910 1.00 0.00 O ATOM 780 CB PRO A 48 6.299 -8.585 7.623 1.00 0.00 C ATOM 781 CG PRO A 48 5.068 -9.501 7.578 1.00 0.00 C ATOM 782 CD PRO A 48 4.003 -8.809 6.676 1.00 0.00 C ATOM 0 HA PRO A 48 6.351 -6.629 7.094 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.212 -9.118 7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.454 -8.161 8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.333 -10.480 7.177 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.674 -9.663 8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.831 -9.389 5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.047 -8.738 7.195 1.00 0.00 H new ATOM 790 N HIS A 49 6.589 -6.554 4.256 1.00 0.00 N ATOM 791 CA HIS A 49 7.578 -5.741 3.471 1.00 0.00 C ATOM 792 C HIS A 49 7.903 -4.378 4.163 1.00 0.00 C ATOM 793 O HIS A 49 9.047 -4.072 4.488 1.00 0.00 O ATOM 794 CB HIS A 49 6.930 -5.351 2.065 1.00 0.00 C ATOM 795 CG HIS A 49 7.112 -3.936 1.486 1.00 0.00 C ATOM 796 ND1 HIS A 49 8.301 -3.215 1.428 1.00 0.00 N ATOM 797 CD2 HIS A 49 6.135 -3.003 1.617 1.00 0.00 C ATOM 798 CE1 HIS A 49 7.976 -1.908 1.612 1.00 0.00 C ATOM 799 NE2 HIS A 49 6.678 -1.743 1.750 1.00 0.00 N ATOM 0 H HIS A 49 5.733 -6.806 3.762 1.00 0.00 H new ATOM 0 HA HIS A 49 8.480 -6.347 3.382 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.317 -6.053 1.327 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.858 -5.531 2.144 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.077 -3.218 1.617 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.696 -1.103 1.641 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.180 -0.869 1.919 1.00 0.00 H new ATOM 807 N VAL A 50 6.825 -3.624 4.510 1.00 0.00 N ATOM 808 CA VAL A 50 6.867 -2.447 5.382 1.00 0.00 C ATOM 809 C VAL A 50 6.949 -2.865 6.863 1.00 0.00 C ATOM 810 O VAL A 50 7.747 -2.295 7.598 1.00 0.00 O ATOM 811 CB VAL A 50 5.894 -1.311 5.027 1.00 0.00 C ATOM 812 CG1 VAL A 50 4.619 -1.819 4.382 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.613 -0.343 6.189 1.00 0.00 C ATOM 0 H VAL A 50 5.885 -3.834 4.176 1.00 0.00 H new ATOM 0 HA VAL A 50 7.804 -1.930 5.174 1.00 0.00 H new ATOM 0 HB VAL A 50 6.416 -0.717 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.967 -0.976 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.863 -2.351 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.109 -2.495 5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.918 0.429 5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.176 -0.892 7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.546 0.121 6.510 1.00 0.00 H new ATOM 823 N ARG A 51 6.194 -3.902 7.364 1.00 0.00 N ATOM 824 CA ARG A 51 6.257 -4.419 8.735 1.00 0.00 C ATOM 825 C ARG A 51 7.583 -5.120 9.128 1.00 0.00 C ATOM 826 O ARG A 51 7.905 -5.161 10.298 1.00 0.00 O ATOM 827 CB ARG A 51 4.954 -5.181 9.131 1.00 0.00 C ATOM 828 CG ARG A 51 4.794 -5.575 10.604 1.00 0.00 C ATOM 829 CD ARG A 51 3.423 -6.188 10.940 1.00 0.00 C ATOM 830 NE ARG A 51 3.296 -7.542 10.298 1.00 0.00 N ATOM 831 CZ ARG A 51 2.174 -8.317 10.427 1.00 0.00 C ATOM 832 NH1 ARG A 51 1.091 -7.869 11.125 1.00 0.00 N ATOM 833 NH2 ARG A 51 2.139 -9.553 9.850 1.00 0.00 N ATOM 0 H ARG A 51 5.513 -4.399 6.790 1.00 0.00 H new ATOM 0 HA ARG A 51 6.291 -3.538 9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.102 -4.561 8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.897 -6.089 8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.574 -6.289 10.866 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.949 -4.693 11.225 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.309 -6.276 12.020 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.626 -5.533 10.588 1.00 0.00 H new ATOM 0 HE ARG A 51 4.076 -7.897 9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.110 -6.946 11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.262 -8.457 11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.945 -9.895 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.307 -10.135 9.942 1.00 0.00 H new ATOM 847 N ASP A 52 8.429 -5.683 8.216 1.00 0.00 N ATOM 848 CA ASP A 52 9.876 -5.960 8.427 1.00 0.00 C ATOM 849 C ASP A 52 10.832 -4.748 8.267 1.00 0.00 C ATOM 850 O ASP A 52 11.992 -4.841 8.658 1.00 0.00 O ATOM 851 CB ASP A 52 10.500 -7.160 7.644 1.00 0.00 C ATOM 852 CG ASP A 52 9.826 -8.489 8.002 1.00 0.00 C ATOM 853 OD1 ASP A 52 9.524 -8.709 9.205 1.00 0.00 O ATOM 854 OD2 ASP A 52 9.636 -9.314 7.068 1.00 0.00 O ATOM 0 H ASP A 52 8.110 -5.963 7.288 1.00 0.00 H new ATOM 0 HA ASP A 52 9.815 -6.241 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.406 -6.982 6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.566 -7.222 7.865 1.00 0.00 H new ATOM 859 N SER A 53 10.406 -3.592 7.655 1.00 0.00 N ATOM 860 CA SER A 53 11.221 -2.429 7.267 1.00 0.00 C ATOM 861 C SER A 53 11.644 -1.459 8.337 1.00 0.00 C ATOM 862 O SER A 53 12.510 -0.619 8.106 1.00 0.00 O ATOM 863 CB SER A 53 10.668 -1.564 6.113 1.00 0.00 C ATOM 864 OG SER A 53 10.774 -2.230 4.858 1.00 0.00 O ATOM 0 H SER A 53 9.424 -3.459 7.414 1.00 0.00 H new ATOM 0 HA SER A 53 12.093 -3.002 6.952 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.624 -1.321 6.309 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.213 -0.621 6.072 1.00 0.00 H new ATOM 0 HG SER A 53 9.904 -2.610 4.615 1.00 0.00 H new ATOM 870 N LEU A 54 11.008 -1.509 9.525 1.00 0.00 N ATOM 871 CA LEU A 54 11.070 -0.579 10.628 1.00 0.00 C ATOM 872 C LEU A 54 12.444 -0.506 11.323 1.00 0.00 C ATOM 873 O LEU A 54 12.714 0.434 12.064 1.00 0.00 O ATOM 874 CB LEU A 54 10.019 -0.954 11.770 1.00 0.00 C ATOM 875 CG LEU A 54 9.444 -2.395 12.020 1.00 0.00 C ATOM 876 CD1 LEU A 54 7.955 -2.530 11.684 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.135 -3.633 11.480 1.00 0.00 C ATOM 0 H LEU A 54 10.381 -2.285 9.738 1.00 0.00 H new ATOM 0 HA LEU A 54 10.850 0.382 10.163 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.474 -0.645 12.711 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.155 -0.310 11.607 1.00 0.00 H new ATOM 0 HG LEU A 54 9.663 -2.414 13.088 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.629 -3.551 11.881 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.379 -1.839 12.300 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.797 -2.296 10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.570 -4.520 11.768 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.189 -3.575 10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.143 -3.695 11.890 1.00 0.00 H new ATOM 889 N ILE A 55 13.314 -1.512 11.068 1.00 0.00 N ATOM 890 CA ILE A 55 14.662 -1.737 11.614 1.00 0.00 C ATOM 891 C ILE A 55 15.368 -2.433 10.447 1.00 0.00 C ATOM 892 O ILE A 55 14.721 -2.858 9.496 1.00 0.00 O ATOM 893 CB ILE A 55 14.754 -2.644 12.889 1.00 0.00 C ATOM 894 CG1 ILE A 55 13.449 -2.755 13.717 1.00 0.00 C ATOM 895 CG2 ILE A 55 15.914 -2.272 13.840 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.033 -1.530 14.481 1.00 0.00 C ATOM 0 H ILE A 55 13.061 -2.252 10.413 1.00 0.00 H new ATOM 0 HA ILE A 55 15.087 -0.793 11.957 1.00 0.00 H new ATOM 0 HB ILE A 55 14.951 -3.622 12.449 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.638 -3.027 13.041 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.563 -3.576 14.425 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.911 -2.944 14.698 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.862 -2.364 13.310 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.788 -1.245 14.183 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.107 -1.734 15.019 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.814 -1.262 15.192 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.875 -0.704 13.787 1.00 0.00 H new ATOM 908 N GLN A 56 16.711 -2.569 10.431 1.00 0.00 N ATOM 909 CA GLN A 56 17.437 -3.337 9.412 1.00 0.00 C ATOM 910 C GLN A 56 17.746 -4.833 9.684 1.00 0.00 C ATOM 911 O GLN A 56 17.451 -5.629 8.797 1.00 0.00 O ATOM 912 CB GLN A 56 18.588 -2.504 8.800 1.00 0.00 C ATOM 913 CG GLN A 56 18.115 -1.110 8.282 1.00 0.00 C ATOM 914 CD GLN A 56 17.197 -1.141 7.040 1.00 0.00 C ATOM 915 OE1 GLN A 56 17.686 -0.839 5.947 1.00 0.00 O ATOM 916 NE2 GLN A 56 15.889 -1.467 7.181 1.00 0.00 N ATOM 0 H GLN A 56 17.320 -2.145 11.131 1.00 0.00 H new ATOM 0 HA GLN A 56 16.696 -3.498 8.629 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.367 -2.363 9.549 1.00 0.00 H new ATOM 0 HB3 GLN A 56 19.035 -3.060 7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.588 -0.601 9.089 1.00 0.00 H new ATOM 0 HG3 GLN A 56 18.995 -0.511 8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.520 -1.711 8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.273 -1.468 6.368 1.00 0.00 H new ATOM 925 N PRO A 57 18.296 -5.318 10.823 1.00 0.00 N ATOM 926 CA PRO A 57 18.816 -6.690 10.959 1.00 0.00 C ATOM 927 C PRO A 57 17.780 -7.698 11.499 1.00 0.00 C ATOM 928 O PRO A 57 16.627 -7.726 11.083 1.00 0.00 O ATOM 929 CB PRO A 57 19.948 -6.433 11.984 1.00 0.00 C ATOM 930 CG PRO A 57 19.289 -5.456 12.961 1.00 0.00 C ATOM 931 CD PRO A 57 18.635 -4.483 11.977 1.00 0.00 C ATOM 0 HA PRO A 57 19.117 -7.145 10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.265 -7.351 12.479 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.832 -6.003 11.514 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.561 -5.944 13.608 1.00 0.00 H new ATOM 0 HG3 PRO A 57 20.014 -4.965 13.610 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.748 -4.017 12.407 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.316 -3.678 11.700 1.00 0.00 H new ATOM 939 N HIS A 58 18.229 -8.527 12.489 1.00 0.00 N ATOM 940 CA HIS A 58 17.560 -9.565 13.268 1.00 0.00 C ATOM 941 C HIS A 58 16.545 -9.033 14.278 1.00 0.00 C ATOM 942 O HIS A 58 15.590 -9.712 14.633 1.00 0.00 O ATOM 943 CB HIS A 58 18.569 -10.570 13.889 1.00 0.00 C ATOM 944 CG HIS A 58 19.559 -9.961 14.849 1.00 0.00 C ATOM 945 ND1 HIS A 58 20.910 -9.813 14.605 1.00 0.00 N ATOM 946 CD2 HIS A 58 19.359 -9.483 16.108 1.00 0.00 C ATOM 947 CE1 HIS A 58 21.453 -9.258 15.718 1.00 0.00 C ATOM 948 NE2 HIS A 58 20.550 -9.040 16.653 1.00 0.00 N ATOM 0 H HIS A 58 19.203 -8.455 12.782 1.00 0.00 H new ATOM 0 HA HIS A 58 16.958 -10.125 12.552 1.00 0.00 H new ATOM 0 HB2 HIS A 58 18.011 -11.348 14.410 1.00 0.00 H new ATOM 0 HB3 HIS A 58 19.118 -11.057 13.083 1.00 0.00 H new ATOM 0 HD2 HIS A 58 18.404 -9.454 16.611 1.00 0.00 H new ATOM 0 HE1 HIS A 58 22.502 -9.023 15.825 1.00 0.00 H new ATOM 0 HE2 HIS A 58 20.698 -8.633 17.577 1.00 0.00 H new ATOM 956 N ASP A 59 16.730 -7.770 14.755 1.00 0.00 N ATOM 957 CA ASP A 59 15.903 -6.983 15.658 1.00 0.00 C ATOM 958 C ASP A 59 14.738 -6.323 14.941 1.00 0.00 C ATOM 959 O ASP A 59 14.024 -5.547 15.551 1.00 0.00 O ATOM 960 CB ASP A 59 16.722 -5.859 16.362 1.00 0.00 C ATOM 961 CG ASP A 59 17.879 -6.471 17.156 1.00 0.00 C ATOM 962 OD1 ASP A 59 17.600 -7.242 18.112 1.00 0.00 O ATOM 963 OD2 ASP A 59 19.054 -6.167 16.819 1.00 0.00 O ATOM 0 H ASP A 59 17.555 -7.240 14.474 1.00 0.00 H new ATOM 0 HA ASP A 59 15.527 -7.691 16.396 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.109 -5.161 15.620 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.074 -5.289 17.028 1.00 0.00 H new ATOM 968 N ARG A 60 14.489 -6.611 13.628 1.00 0.00 N ATOM 969 CA ARG A 60 13.384 -6.148 12.780 1.00 0.00 C ATOM 970 C ARG A 60 12.006 -6.365 13.324 1.00 0.00 C ATOM 971 O ARG A 60 11.237 -5.426 13.475 1.00 0.00 O ATOM 972 CB ARG A 60 13.514 -6.612 11.299 1.00 0.00 C ATOM 973 CG ARG A 60 13.064 -8.016 10.854 1.00 0.00 C ATOM 974 CD ARG A 60 13.682 -9.128 11.701 1.00 0.00 C ATOM 975 NE ARG A 60 13.709 -10.444 10.970 1.00 0.00 N ATOM 976 CZ ARG A 60 12.615 -11.248 10.787 1.00 0.00 C ATOM 977 NH1 ARG A 60 11.387 -10.897 11.265 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.759 -12.426 10.112 1.00 0.00 N ATOM 0 H ARG A 60 15.117 -7.224 13.108 1.00 0.00 H new ATOM 0 HA ARG A 60 13.504 -5.065 12.794 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.961 -5.895 10.692 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.565 -6.515 11.028 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.978 -8.081 10.913 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.336 -8.166 9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.697 -8.848 11.982 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.115 -9.238 12.625 1.00 0.00 H new ATOM 0 HE ARG A 60 14.600 -10.757 10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.269 -10.019 11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.587 -11.512 11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.673 -12.698 9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.952 -13.034 9.969 1.00 0.00 H new ATOM 992 N LYS A 61 11.655 -7.605 13.743 1.00 0.00 N ATOM 993 CA LYS A 61 10.400 -7.983 14.366 1.00 0.00 C ATOM 994 C LYS A 61 10.027 -7.281 15.661 1.00 0.00 C ATOM 995 O LYS A 61 8.861 -7.124 16.011 1.00 0.00 O ATOM 996 CB LYS A 61 9.794 -9.343 13.959 1.00 0.00 C ATOM 997 CG LYS A 61 8.574 -9.880 14.764 1.00 0.00 C ATOM 998 CD LYS A 61 8.890 -10.475 16.149 1.00 0.00 C ATOM 999 CE LYS A 61 9.807 -11.703 16.112 1.00 0.00 C ATOM 1000 NZ LYS A 61 10.014 -12.246 17.476 1.00 0.00 N ATOM 0 H LYS A 61 12.287 -8.399 13.642 1.00 0.00 H new ATOM 0 HA LYS A 61 9.626 -7.441 13.822 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.497 -9.274 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.585 -10.090 14.018 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.862 -9.065 14.894 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.077 -10.644 14.167 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.357 -9.706 16.764 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.954 -10.749 16.636 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.370 -12.470 15.473 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.768 -11.432 15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.638 -13.077 17.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.452 -11.519 18.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.098 -12.524 17.882 1.00 0.00 H new ATOM 1014 N LYS A 62 11.050 -6.772 16.383 1.00 0.00 N ATOM 1015 CA LYS A 62 10.940 -5.943 17.573 1.00 0.00 C ATOM 1016 C LYS A 62 10.044 -4.702 17.521 1.00 0.00 C ATOM 1017 O LYS A 62 9.430 -4.358 18.527 1.00 0.00 O ATOM 1018 CB LYS A 62 12.372 -5.439 17.948 1.00 0.00 C ATOM 1019 CG LYS A 62 12.513 -4.983 19.398 1.00 0.00 C ATOM 1020 CD LYS A 62 13.906 -4.423 19.738 1.00 0.00 C ATOM 1021 CE LYS A 62 14.306 -3.188 18.914 1.00 0.00 C ATOM 1022 NZ LYS A 62 15.623 -2.666 19.349 1.00 0.00 N ATOM 0 H LYS A 62 12.021 -6.946 16.125 1.00 0.00 H new ATOM 0 HA LYS A 62 10.461 -6.606 18.294 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.088 -6.239 17.759 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.638 -4.611 17.291 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.764 -4.219 19.604 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.299 -5.825 20.057 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.933 -4.164 20.796 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.648 -5.206 19.582 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.345 -3.449 17.856 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.549 -2.412 19.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.872 -1.833 18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.576 -2.397 20.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.347 -3.401 19.222 1.00 0.00 H new ATOM 1036 N MET A 63 9.905 -4.031 16.342 1.00 0.00 N ATOM 1037 CA MET A 63 8.923 -2.961 16.202 1.00 0.00 C ATOM 1038 C MET A 63 7.822 -3.343 15.234 1.00 0.00 C ATOM 1039 O MET A 63 6.937 -2.536 14.996 1.00 0.00 O ATOM 1040 CB MET A 63 9.409 -1.471 16.191 1.00 0.00 C ATOM 1041 CG MET A 63 10.302 -1.155 17.409 1.00 0.00 C ATOM 1042 SD MET A 63 10.570 0.622 17.690 1.00 0.00 S ATOM 1043 CE MET A 63 11.774 0.801 16.352 1.00 0.00 C ATOM 0 H MET A 63 10.455 -4.219 15.504 1.00 0.00 H new ATOM 0 HA MET A 63 8.463 -2.899 17.188 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.963 -1.275 15.273 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.545 -0.806 16.190 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.849 -1.589 18.301 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.268 -1.641 17.274 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.060 1.849 16.257 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.657 0.203 16.575 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.331 0.460 15.416 1.00 0.00 H new ATOM 1053 N LYS A 64 7.761 -4.632 14.727 1.00 0.00 N ATOM 1054 CA LYS A 64 6.650 -5.195 13.941 1.00 0.00 C ATOM 1055 C LYS A 64 5.435 -5.443 14.837 1.00 0.00 C ATOM 1056 O LYS A 64 4.280 -5.289 14.438 1.00 0.00 O ATOM 1057 CB LYS A 64 7.102 -6.496 13.218 1.00 0.00 C ATOM 1058 CG LYS A 64 6.114 -7.666 13.125 1.00 0.00 C ATOM 1059 CD LYS A 64 6.485 -8.707 12.058 1.00 0.00 C ATOM 1060 CE LYS A 64 5.581 -9.946 12.095 1.00 0.00 C ATOM 1061 NZ LYS A 64 5.939 -10.893 11.016 1.00 0.00 N ATOM 0 H LYS A 64 8.515 -5.303 14.872 1.00 0.00 H new ATOM 0 HA LYS A 64 6.357 -4.475 13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.392 -6.226 12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.999 -6.859 13.720 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.056 -8.159 14.096 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.121 -7.274 12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.423 -8.247 11.072 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.521 -9.014 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.673 -10.439 13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.539 -9.644 11.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.198 -11.617 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.026 -10.378 10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.845 -11.350 11.242 1.00 0.00 H new ATOM 1075 N LYS A 65 5.710 -5.803 16.124 1.00 0.00 N ATOM 1076 CA LYS A 65 4.672 -6.000 17.156 1.00 0.00 C ATOM 1077 C LYS A 65 3.913 -4.705 17.602 1.00 0.00 C ATOM 1078 O LYS A 65 2.693 -4.689 17.759 1.00 0.00 O ATOM 1079 CB LYS A 65 5.318 -6.729 18.362 1.00 0.00 C ATOM 1080 CG LYS A 65 4.334 -7.357 19.363 1.00 0.00 C ATOM 1081 CD LYS A 65 5.080 -8.118 20.470 1.00 0.00 C ATOM 1082 CE LYS A 65 4.153 -8.846 21.456 1.00 0.00 C ATOM 1083 NZ LYS A 65 3.288 -7.894 22.191 1.00 0.00 N ATOM 0 H LYS A 65 6.658 -5.962 16.465 1.00 0.00 H new ATOM 0 HA LYS A 65 3.886 -6.607 16.706 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.972 -7.514 17.982 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.949 -6.020 18.897 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.715 -6.577 19.807 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.662 -8.037 18.839 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.749 -8.845 20.010 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.704 -7.416 21.023 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.532 -9.560 20.914 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.751 -9.418 22.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.699 -8.415 22.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.881 -7.208 22.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.676 -7.390 21.518 1.00 0.00 H new ATOM 1097 N VAL A 66 4.647 -3.551 17.724 1.00 0.00 N ATOM 1098 CA VAL A 66 4.146 -2.173 17.935 1.00 0.00 C ATOM 1099 C VAL A 66 3.572 -1.600 16.637 1.00 0.00 C ATOM 1100 O VAL A 66 2.626 -0.815 16.675 1.00 0.00 O ATOM 1101 CB VAL A 66 4.966 -1.200 18.821 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.459 -1.207 18.481 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.419 0.256 18.797 1.00 0.00 C ATOM 0 H VAL A 66 5.665 -3.573 17.673 1.00 0.00 H new ATOM 0 HA VAL A 66 3.321 -2.293 18.637 1.00 0.00 H new ATOM 0 HB VAL A 66 4.847 -1.581 19.835 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.984 -0.508 19.132 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.861 -2.210 18.627 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.597 -0.908 17.442 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.036 0.887 19.437 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.445 0.638 17.776 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.392 0.265 19.161 1.00 0.00 H new ATOM 1113 N TRP A 67 4.084 -2.006 15.430 1.00 0.00 N ATOM 1114 CA TRP A 67 3.607 -1.653 14.077 1.00 0.00 C ATOM 1115 C TRP A 67 2.108 -1.870 13.842 1.00 0.00 C ATOM 1116 O TRP A 67 1.437 -1.067 13.208 1.00 0.00 O ATOM 1117 CB TRP A 67 4.396 -2.401 12.959 1.00 0.00 C ATOM 1118 CG TRP A 67 4.140 -1.935 11.536 1.00 0.00 C ATOM 1119 CD1 TRP A 67 3.411 -2.565 10.574 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.371 -0.605 11.061 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.282 -1.767 9.475 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.826 -0.533 9.782 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.930 0.480 11.667 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.804 0.653 9.109 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 4.972 1.658 10.975 1.00 0.00 C ATOM 1126 CH2 TRP A 67 4.404 1.733 9.727 1.00 0.00 C ATOM 0 H TRP A 67 4.892 -2.628 15.390 1.00 0.00 H new ATOM 0 HA TRP A 67 3.793 -0.580 14.020 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.462 -2.302 13.166 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.156 -3.462 13.021 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.994 -3.557 10.668 1.00 0.00 H new ATOM 0 HE1 TRP A 67 2.860 -2.033 8.585 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.329 0.411 12.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 3.339 0.744 8.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.449 2.525 11.407 1.00 0.00 H new ATOM 0 HH2 TRP A 67 4.427 2.678 9.205 1.00 0.00 H new ATOM 1137 N ASP A 68 1.560 -2.932 14.475 1.00 0.00 N ATOM 1138 CA ASP A 68 0.158 -3.330 14.582 1.00 0.00 C ATOM 1139 C ASP A 68 -0.749 -2.201 15.146 1.00 0.00 C ATOM 1140 O ASP A 68 -1.807 -1.879 14.615 1.00 0.00 O ATOM 1141 CB ASP A 68 0.163 -4.561 15.538 1.00 0.00 C ATOM 1142 CG ASP A 68 0.985 -5.738 14.982 1.00 0.00 C ATOM 1143 OD1 ASP A 68 1.230 -5.787 13.747 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.349 -6.624 15.800 1.00 0.00 O ATOM 0 H ASP A 68 2.159 -3.592 14.971 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.255 -3.557 13.599 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.569 -4.264 16.505 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.863 -4.888 15.709 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.238 -1.518 16.213 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.699 -0.256 16.797 1.00 0.00 C ATOM 1151 C ARG A 69 -0.283 1.000 15.993 1.00 0.00 C ATOM 1152 O ARG A 69 -1.118 1.853 15.707 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.266 -0.194 18.292 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.661 1.060 19.107 1.00 0.00 C ATOM 1155 CD ARG A 69 -2.167 1.372 19.109 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.390 2.645 19.883 1.00 0.00 N ATOM 1157 CZ ARG A 69 -3.550 3.373 19.818 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -4.590 2.966 19.035 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -3.663 4.523 20.544 1.00 0.00 N ATOM 0 H ARG A 69 0.573 -1.880 16.715 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.788 -0.243 16.744 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.681 -1.066 18.797 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.819 -0.290 18.330 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.329 0.928 20.137 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.125 1.921 18.707 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.533 1.480 18.088 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.723 0.551 19.561 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.640 2.983 20.486 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.511 2.109 18.487 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.447 3.518 18.997 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.888 4.835 21.129 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.522 5.071 20.501 1.00 0.00 H new ATOM 1173 N ALA A 70 1.014 1.159 15.571 1.00 0.00 N ATOM 1174 CA ALA A 70 1.589 2.265 14.780 1.00 0.00 C ATOM 1175 C ALA A 70 0.930 2.597 13.432 1.00 0.00 C ATOM 1176 O ALA A 70 0.824 3.758 13.030 1.00 0.00 O ATOM 1177 CB ALA A 70 3.096 2.026 14.554 1.00 0.00 C ATOM 0 H ALA A 70 1.722 0.461 15.799 1.00 0.00 H new ATOM 0 HA ALA A 70 1.387 3.139 15.400 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.511 2.847 13.970 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.604 1.973 15.517 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.239 1.089 14.016 1.00 0.00 H new ATOM 1183 N VAL A 71 0.421 1.521 12.759 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.392 1.465 11.530 1.00 0.00 C ATOM 1185 C VAL A 71 -1.718 2.187 11.663 1.00 0.00 C ATOM 1186 O VAL A 71 -2.172 2.797 10.706 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.628 0.023 11.049 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.709 -0.176 9.965 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.671 -0.442 10.400 1.00 0.00 C ATOM 0 H VAL A 71 0.596 0.580 13.111 1.00 0.00 H new ATOM 0 HA VAL A 71 0.198 1.988 10.777 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.959 -0.523 11.933 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.780 -1.234 9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.671 0.172 10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.441 0.393 9.075 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.553 -1.464 10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.913 0.211 9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.477 -0.405 11.133 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.357 2.204 12.877 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.599 2.920 13.206 1.00 0.00 C ATOM 1201 C ASP A 72 -3.463 4.444 13.015 1.00 0.00 C ATOM 1202 O ASP A 72 -4.292 5.054 12.352 1.00 0.00 O ATOM 1203 CB ASP A 72 -4.125 2.473 14.614 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.479 3.080 15.008 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.478 2.812 14.288 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.524 3.817 16.028 1.00 0.00 O ATOM 0 H ASP A 72 -1.989 1.690 13.677 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.373 2.639 12.492 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.210 1.386 14.628 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.386 2.745 15.367 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.361 5.063 13.515 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.941 6.437 13.213 1.00 0.00 C ATOM 1213 C PHE A 73 -1.269 6.665 11.832 1.00 0.00 C ATOM 1214 O PHE A 73 -1.746 7.500 11.061 1.00 0.00 O ATOM 1215 CB PHE A 73 -1.258 7.150 14.415 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.026 6.583 15.050 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -0.096 5.536 15.956 1.00 0.00 C ATOM 1218 CD2 PHE A 73 1.153 7.292 14.952 1.00 0.00 C ATOM 1219 CE1 PHE A 73 0.992 5.219 16.746 1.00 0.00 C ATOM 1220 CE2 PHE A 73 2.256 6.944 15.702 1.00 0.00 C ATOM 1221 CZ PHE A 73 2.180 5.897 16.597 1.00 0.00 C ATOM 0 H PHE A 73 -1.726 4.594 14.161 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.882 6.968 13.070 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.013 8.161 14.089 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.008 7.242 15.200 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.008 4.964 16.045 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.213 8.133 14.277 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.910 4.435 17.484 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.180 7.491 15.589 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.046 5.612 17.176 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.178 5.919 11.437 1.00 0.00 N ATOM 1232 CA LEU A 74 0.528 6.047 10.105 1.00 0.00 C ATOM 1233 C LEU A 74 -0.323 5.905 8.833 1.00 0.00 C ATOM 1234 O LEU A 74 -0.203 6.708 7.904 1.00 0.00 O ATOM 1235 CB LEU A 74 1.676 4.993 10.041 1.00 0.00 C ATOM 1236 CG LEU A 74 2.696 4.969 8.862 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.276 4.181 7.603 1.00 0.00 C ATOM 1238 CD2 LEU A 74 3.312 6.322 8.492 1.00 0.00 C ATOM 0 H LEU A 74 0.239 5.208 12.037 1.00 0.00 H new ATOM 0 HA LEU A 74 0.873 7.081 10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.255 5.099 10.958 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.206 4.010 10.073 1.00 0.00 H new ATOM 0 HG LEU A 74 3.491 4.380 9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.068 4.239 6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.103 3.138 7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.360 4.608 7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.006 6.191 7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.522 7.014 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.847 6.725 9.352 1.00 0.00 H new ATOM 1250 N ALA A 75 -1.246 4.898 8.773 1.00 0.00 N ATOM 1251 CA ALA A 75 -2.171 4.663 7.669 1.00 0.00 C ATOM 1252 C ALA A 75 -3.213 5.757 7.357 1.00 0.00 C ATOM 1253 O ALA A 75 -3.851 5.705 6.314 1.00 0.00 O ATOM 1254 CB ALA A 75 -2.874 3.308 7.877 1.00 0.00 C ATOM 0 H ALA A 75 -1.353 4.218 9.526 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.533 4.675 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.566 3.127 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.129 2.512 7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.424 3.324 8.818 1.00 0.00 H new ATOM 1260 N ALA A 76 -3.417 6.772 8.242 1.00 0.00 N ATOM 1261 CA ALA A 76 -4.367 7.853 8.101 1.00 0.00 C ATOM 1262 C ALA A 76 -3.877 9.037 7.257 1.00 0.00 C ATOM 1263 O ALA A 76 -4.667 9.907 6.906 1.00 0.00 O ATOM 1264 CB ALA A 76 -4.786 8.310 9.520 1.00 0.00 C ATOM 0 H ALA A 76 -2.884 6.839 9.109 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.219 7.468 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.504 9.127 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.243 7.475 10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.907 8.651 10.067 1.00 0.00 H new ATOM 1270 N ASN A 77 -2.570 9.123 6.902 1.00 0.00 N ATOM 1271 CA ASN A 77 -2.079 10.242 6.099 1.00 0.00 C ATOM 1272 C ASN A 77 -1.028 9.793 5.099 1.00 0.00 C ATOM 1273 O ASN A 77 -1.231 9.856 3.890 1.00 0.00 O ATOM 1274 CB ASN A 77 -1.707 11.523 6.939 1.00 0.00 C ATOM 1275 CG ASN A 77 -0.719 11.301 8.094 1.00 0.00 C ATOM 1276 OD1 ASN A 77 0.000 10.301 8.153 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -0.649 12.282 9.029 1.00 0.00 N ATOM 0 H ASN A 77 -1.859 8.439 7.159 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.918 10.594 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.286 12.268 6.264 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.625 11.946 7.347 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.010 12.202 9.804 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.255 13.099 8.957 1.00 0.00 H new ATOM 1284 N GLU A 78 0.148 9.330 5.572 1.00 0.00 N ATOM 1285 CA GLU A 78 1.268 8.926 4.733 1.00 0.00 C ATOM 1286 C GLU A 78 1.231 7.463 4.297 1.00 0.00 C ATOM 1287 O GLU A 78 1.851 6.574 4.878 1.00 0.00 O ATOM 1288 CB GLU A 78 2.606 9.280 5.426 1.00 0.00 C ATOM 1289 CG GLU A 78 2.787 10.789 5.700 1.00 0.00 C ATOM 1290 CD GLU A 78 2.805 11.574 4.388 1.00 0.00 C ATOM 1291 OE1 GLU A 78 3.730 11.335 3.567 1.00 0.00 O ATOM 1292 OE2 GLU A 78 1.894 12.423 4.192 1.00 0.00 O ATOM 0 H GLU A 78 0.337 9.229 6.569 1.00 0.00 H new ATOM 0 HA GLU A 78 1.179 9.493 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.670 8.739 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.430 8.932 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.977 11.149 6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.717 10.957 6.244 1.00 0.00 H new ATOM 1299 N SER A 79 0.505 7.179 3.192 1.00 0.00 N ATOM 1300 CA SER A 79 0.399 5.873 2.558 1.00 0.00 C ATOM 1301 C SER A 79 -0.068 6.086 1.130 1.00 0.00 C ATOM 1302 O SER A 79 -1.060 6.772 0.895 1.00 0.00 O ATOM 1303 CB SER A 79 -0.595 4.920 3.279 1.00 0.00 C ATOM 1304 OG SER A 79 0.011 4.394 4.454 1.00 0.00 O ATOM 0 H SER A 79 -0.040 7.892 2.708 1.00 0.00 H new ATOM 0 HA SER A 79 1.379 5.397 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.507 5.458 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.883 4.107 2.612 1.00 0.00 H new ATOM 0 HG SER A 79 0.782 4.947 4.700 1.00 0.00 H new ATOM 1310 N ARG A 80 0.647 5.491 0.135 1.00 0.00 N ATOM 1311 CA ARG A 80 0.339 5.569 -1.301 1.00 0.00 C ATOM 1312 C ARG A 80 0.320 4.158 -1.926 1.00 0.00 C ATOM 1313 O ARG A 80 0.392 3.973 -3.139 1.00 0.00 O ATOM 1314 CB ARG A 80 1.326 6.497 -2.073 1.00 0.00 C ATOM 1315 CG ARG A 80 1.478 7.906 -1.462 1.00 0.00 C ATOM 1316 CD ARG A 80 2.363 8.833 -2.305 1.00 0.00 C ATOM 1317 NE ARG A 80 2.494 10.164 -1.612 1.00 0.00 N ATOM 1318 CZ ARG A 80 3.160 11.230 -2.158 1.00 0.00 C ATOM 1319 NH1 ARG A 80 3.701 11.156 -3.408 1.00 0.00 N ATOM 1320 NH2 ARG A 80 3.285 12.382 -1.437 1.00 0.00 N ATOM 0 H ARG A 80 1.476 4.930 0.328 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.652 6.013 -1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.305 6.020 -2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.984 6.595 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.492 8.356 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.902 7.818 -0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.347 8.386 -2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.929 8.967 -3.296 1.00 0.00 H new ATOM 0 HE ARG A 80 2.067 10.277 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.613 10.298 -3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.193 11.959 -3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.885 12.444 -0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.779 13.181 -1.834 1.00 0.00 H new ATOM 1334 N VAL A 81 0.203 3.125 -1.050 1.00 0.00 N ATOM 1335 CA VAL A 81 0.099 1.701 -1.335 1.00 0.00 C ATOM 1336 C VAL A 81 -1.338 1.312 -0.996 1.00 0.00 C ATOM 1337 O VAL A 81 -1.940 1.874 -0.077 1.00 0.00 O ATOM 1338 CB VAL A 81 1.106 0.851 -0.547 1.00 0.00 C ATOM 1339 CG1 VAL A 81 2.422 0.770 -1.331 1.00 0.00 C ATOM 1340 CG2 VAL A 81 1.366 1.468 0.842 1.00 0.00 C ATOM 0 H VAL A 81 0.179 3.301 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 81 0.339 1.510 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 81 0.695 -0.149 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.140 0.167 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.239 0.312 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.823 1.773 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.082 0.852 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.769 2.474 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.431 1.515 1.400 1.00 0.00 H new ATOM 1350 N ARG A 82 -1.926 0.357 -1.758 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.312 -0.068 -1.658 1.00 0.00 C ATOM 1352 C ARG A 82 -3.338 -1.402 -0.944 1.00 0.00 C ATOM 1353 O ARG A 82 -2.553 -2.289 -1.271 1.00 0.00 O ATOM 1354 CB ARG A 82 -3.918 -0.102 -3.088 1.00 0.00 C ATOM 1355 CG ARG A 82 -5.449 0.053 -3.176 1.00 0.00 C ATOM 1356 CD ARG A 82 -6.194 -1.269 -3.385 1.00 0.00 C ATOM 1357 NE ARG A 82 -7.660 -0.978 -3.554 1.00 0.00 N ATOM 1358 CZ ARG A 82 -8.556 -1.886 -4.051 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -8.152 -3.131 -4.441 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -9.872 -1.539 -4.162 1.00 0.00 N ATOM 0 H ARG A 82 -1.414 -0.147 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.927 0.619 -1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.458 0.693 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.641 -1.046 -3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.810 0.522 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.690 0.728 -3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.808 -1.785 -4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.036 -1.930 -2.533 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.004 -0.057 -3.284 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.170 -3.396 -4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.832 -3.796 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.180 -0.610 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.547 -2.209 -4.531 1.00 0.00 H new ATOM 1374 N THR A 83 -4.203 -1.567 0.095 1.00 0.00 N ATOM 1375 CA THR A 83 -4.265 -2.779 0.906 1.00 0.00 C ATOM 1376 C THR A 83 -5.537 -3.546 0.567 1.00 0.00 C ATOM 1377 O THR A 83 -6.659 -3.065 0.720 1.00 0.00 O ATOM 1378 CB THR A 83 -3.985 -2.523 2.392 1.00 0.00 C ATOM 1379 OG1 THR A 83 -3.311 -3.622 2.979 1.00 0.00 O ATOM 1380 CG2 THR A 83 -5.209 -2.234 3.268 1.00 0.00 C ATOM 0 H THR A 83 -4.871 -0.851 0.380 1.00 0.00 H new ATOM 0 HA THR A 83 -3.442 -3.446 0.648 1.00 0.00 H new ATOM 0 HB THR A 83 -3.378 -1.618 2.372 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.142 -3.434 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.889 -2.069 4.297 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.718 -1.344 2.899 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.891 -3.083 3.232 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.389 -4.762 0.018 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.517 -5.528 -0.462 1.00 0.00 C ATOM 1390 C GLU A 84 -6.247 -6.974 -0.202 1.00 0.00 C ATOM 1391 O GLU A 84 -5.096 -7.405 -0.164 1.00 0.00 O ATOM 1392 CB GLU A 84 -6.786 -5.299 -1.989 1.00 0.00 C ATOM 1393 CG GLU A 84 -5.740 -5.839 -3.007 1.00 0.00 C ATOM 1394 CD GLU A 84 -4.408 -5.093 -2.923 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -4.423 -3.843 -3.051 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -3.357 -5.761 -2.748 1.00 0.00 O ATOM 0 H GLU A 84 -4.488 -5.226 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.410 -5.198 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.749 -5.750 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.887 -4.226 -2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.572 -6.900 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.140 -5.750 -4.017 1.00 0.00 H new ATOM 1403 N THR A 85 -7.318 -7.786 -0.063 1.00 0.00 N ATOM 1404 CA THR A 85 -7.249 -9.231 0.052 1.00 0.00 C ATOM 1405 C THR A 85 -7.208 -9.847 -1.357 1.00 0.00 C ATOM 1406 O THR A 85 -8.185 -9.822 -2.103 1.00 0.00 O ATOM 1407 CB THR A 85 -8.399 -9.766 0.916 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.435 -8.796 1.073 1.00 0.00 O ATOM 1409 CG2 THR A 85 -7.803 -10.054 2.303 1.00 0.00 C ATOM 0 H THR A 85 -8.273 -7.429 -0.029 1.00 0.00 H new ATOM 0 HA THR A 85 -6.333 -9.524 0.566 1.00 0.00 H new ATOM 0 HB THR A 85 -8.831 -10.648 0.444 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.152 -9.170 1.627 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.582 -10.439 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.008 -10.794 2.211 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.396 -9.134 2.722 1.00 0.00 H new ATOM 1417 N ARG A 86 -6.042 -10.421 -1.756 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.770 -11.008 -3.053 1.00 0.00 C ATOM 1419 C ARG A 86 -4.995 -12.263 -2.820 1.00 0.00 C ATOM 1420 O ARG A 86 -4.289 -12.388 -1.822 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.911 -10.097 -3.978 1.00 0.00 C ATOM 1422 CG ARG A 86 -5.821 -9.152 -4.758 1.00 0.00 C ATOM 1423 CD ARG A 86 -6.642 -9.855 -5.845 1.00 0.00 C ATOM 1424 NE ARG A 86 -5.778 -10.055 -7.061 1.00 0.00 N ATOM 1425 CZ ARG A 86 -6.163 -10.801 -8.143 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -7.387 -11.404 -8.179 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -5.308 -10.944 -9.198 1.00 0.00 N ATOM 0 H ARG A 86 -5.237 -10.479 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.727 -11.170 -3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.201 -9.524 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.329 -10.708 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.500 -8.658 -4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.214 -8.373 -5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.006 -10.815 -5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.518 -9.258 -6.100 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.859 -9.613 -7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.029 -11.302 -7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.660 -11.957 -8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.391 -10.497 -9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.586 -11.498 -10.008 1.00 0.00 H new ATOM 1441 N ARG A 87 -5.117 -13.213 -3.773 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.504 -14.534 -3.746 1.00 0.00 C ATOM 1443 C ARG A 87 -3.158 -14.577 -4.477 1.00 0.00 C ATOM 1444 O ARG A 87 -3.087 -14.304 -5.672 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.501 -15.588 -4.286 1.00 0.00 C ATOM 1446 CG ARG A 87 -5.065 -17.058 -4.121 1.00 0.00 C ATOM 1447 CD ARG A 87 -6.076 -18.074 -4.675 1.00 0.00 C ATOM 1448 NE ARG A 87 -7.338 -17.984 -3.860 1.00 0.00 N ATOM 1449 CZ ARG A 87 -8.378 -18.867 -3.980 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -8.322 -19.895 -4.874 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -9.481 -18.714 -3.191 1.00 0.00 N ATOM 0 H ARG A 87 -5.673 -13.060 -4.614 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.275 -14.777 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.457 -15.452 -3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.670 -15.394 -5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.108 -17.201 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.903 -17.262 -3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.287 -17.865 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.665 -19.082 -4.627 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.423 -17.226 -3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.498 -20.014 -5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.104 -20.545 -4.953 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.525 -17.947 -2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.261 -19.366 -3.273 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.049 -14.923 -3.765 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.691 -14.977 -4.309 1.00 0.00 C ATOM 1467 C ILE A 88 -0.047 -16.267 -3.839 1.00 0.00 C ATOM 1468 O ILE A 88 -0.031 -16.562 -2.647 1.00 0.00 O ATOM 1469 CB ILE A 88 0.185 -13.753 -3.976 1.00 0.00 C ATOM 1470 CG1 ILE A 88 0.062 -13.224 -2.514 1.00 0.00 C ATOM 1471 CG2 ILE A 88 -0.137 -12.668 -5.025 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -0.930 -12.068 -2.316 1.00 0.00 C ATOM 0 H ILE A 88 -2.091 -15.175 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.770 -14.953 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 88 1.231 -14.056 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.236 -14.051 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.047 -12.898 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.463 -11.780 -4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.093 -13.046 -6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.195 -12.411 -4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.941 -11.774 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.626 -11.219 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.928 -12.390 -2.613 1.00 0.00 H new ATOM 1484 N GLY A 89 0.449 -17.123 -4.791 1.00 0.00 N ATOM 1485 CA GLY A 89 1.049 -18.468 -4.503 1.00 0.00 C ATOM 1486 C GLY A 89 0.037 -19.499 -4.047 1.00 0.00 C ATOM 1487 O GLY A 89 0.369 -20.479 -3.392 1.00 0.00 O ATOM 0 H GLY A 89 0.443 -16.896 -5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.548 -18.833 -5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.814 -18.358 -3.735 1.00 0.00 H new ATOM 1491 N GLY A 90 -1.253 -19.235 -4.366 1.00 0.00 N ATOM 1492 CA GLY A 90 -2.424 -20.013 -3.921 1.00 0.00 C ATOM 1493 C GLY A 90 -2.984 -19.618 -2.562 1.00 0.00 C ATOM 1494 O GLY A 90 -3.762 -20.379 -1.996 1.00 0.00 O ATOM 0 H GLY A 90 -1.511 -18.447 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.213 -19.910 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.150 -21.068 -3.891 1.00 0.00 H new ATOM 1498 N ALA A 91 -2.629 -18.438 -1.975 1.00 0.00 N ATOM 1499 CA ALA A 91 -3.101 -18.062 -0.652 1.00 0.00 C ATOM 1500 C ALA A 91 -3.440 -16.575 -0.644 1.00 0.00 C ATOM 1501 O ALA A 91 -2.694 -15.762 -1.187 1.00 0.00 O ATOM 1502 CB ALA A 91 -2.015 -18.385 0.398 1.00 0.00 C ATOM 0 H ALA A 91 -2.019 -17.748 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.999 -18.627 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.371 -18.102 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.799 -19.453 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.107 -17.828 0.166 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.599 -16.182 -0.040 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.112 -14.816 0.066 1.00 0.00 C ATOM 1510 C ASP A 92 -4.772 -14.134 1.395 1.00 0.00 C ATOM 1511 O ASP A 92 -5.092 -14.634 2.473 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.627 -14.651 -0.292 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.474 -15.847 0.157 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.643 -16.031 1.392 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -7.965 -16.590 -0.734 1.00 0.00 O ATOM 0 H ASP A 92 -5.220 -16.858 0.404 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.567 -14.287 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.010 -13.744 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.730 -14.522 -1.369 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.106 -12.958 1.340 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.685 -12.179 2.491 1.00 0.00 C ATOM 1522 C PHE A 93 -4.141 -10.789 2.167 1.00 0.00 C ATOM 1523 O PHE A 93 -4.469 -10.508 1.013 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.121 -12.091 2.636 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.505 -13.467 2.584 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -1.563 -14.340 3.656 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -0.903 -13.897 1.412 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.036 -15.617 3.549 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.393 -15.170 1.295 1.00 0.00 C ATOM 1530 CZ PHE A 93 -0.453 -16.033 2.368 1.00 0.00 C ATOM 0 H PHE A 93 -3.845 -12.524 0.455 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.083 -12.624 3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.711 -11.472 1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.864 -11.607 3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.022 -14.024 4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.833 -13.220 0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.081 -16.290 4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.053 -15.492 0.365 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.046 -17.030 2.286 1.00 0.00 H new ATOM 1540 N LEU A 94 -4.035 -9.844 3.144 1.00 0.00 N ATOM 1541 CA LEU A 94 -4.179 -8.416 2.918 1.00 0.00 C ATOM 1542 C LEU A 94 -2.764 -7.991 2.498 1.00 0.00 C ATOM 1543 O LEU A 94 -1.826 -8.098 3.276 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.659 -7.729 4.220 1.00 0.00 C ATOM 1545 CG LEU A 94 -5.142 -6.276 4.044 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.650 -6.219 3.710 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -4.905 -5.498 5.358 1.00 0.00 C ATOM 0 H LEU A 94 -3.844 -10.079 4.118 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.919 -8.143 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.471 -8.318 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.843 -7.741 4.942 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.582 -5.833 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.958 -5.180 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.838 -6.760 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.219 -6.677 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.245 -4.469 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.461 -5.972 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.842 -5.503 5.597 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.575 -7.621 1.218 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.281 -7.384 0.578 1.00 0.00 C ATOM 1561 C VAL A 95 -1.189 -5.896 0.384 1.00 0.00 C ATOM 1562 O VAL A 95 -2.195 -5.262 0.067 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.109 -8.215 -0.740 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -2.434 -8.761 -1.334 1.00 0.00 C ATOM 1565 CG2 VAL A 95 -0.402 -7.519 -1.927 1.00 0.00 C ATOM 0 H VAL A 95 -3.357 -7.475 0.580 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.452 -7.730 1.196 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.470 -9.007 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.221 -9.323 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.916 -9.416 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.098 -7.929 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.350 -8.205 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.964 -6.630 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.607 -7.231 -1.631 1.00 0.00 H new ATOM 1575 N TRP A 96 0.021 -5.279 0.538 1.00 0.00 N ATOM 1576 CA TRP A 96 0.123 -3.830 0.225 1.00 0.00 C ATOM 1577 C TRP A 96 0.776 -3.803 -1.162 1.00 0.00 C ATOM 1578 O TRP A 96 1.768 -4.488 -1.390 1.00 0.00 O ATOM 1579 CB TRP A 96 1.078 -3.153 1.247 1.00 0.00 C ATOM 1580 CG TRP A 96 0.435 -2.169 2.203 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.433 -1.148 1.939 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.829 -2.026 3.575 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.497 -0.294 3.019 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.255 -0.845 4.045 1.00 0.00 C ATOM 1585 CE3 TRP A 96 1.642 -2.794 4.361 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.518 -0.398 5.310 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 1.870 -2.367 5.652 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.368 -1.160 6.090 1.00 0.00 C ATOM 0 H TRP A 96 0.880 -5.728 0.854 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.837 -3.315 0.261 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.564 -3.933 1.832 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.861 -2.634 0.694 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.987 -1.028 1.020 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.008 0.588 3.057 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.089 -3.702 3.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.079 0.515 5.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.447 -2.983 6.326 1.00 0.00 H new ATOM 0 HH2 TRP A 96 1.646 -0.800 7.069 1.00 0.00 H new ATOM 1599 N ARG A 97 0.233 -3.057 -2.158 1.00 0.00 N ATOM 1600 CA ARG A 97 0.811 -3.022 -3.496 1.00 0.00 C ATOM 1601 C ARG A 97 0.974 -1.573 -3.854 1.00 0.00 C ATOM 1602 O ARG A 97 0.199 -0.748 -3.366 1.00 0.00 O ATOM 1603 CB ARG A 97 -0.073 -3.727 -4.556 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.436 -3.076 -4.878 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.289 -3.985 -5.775 1.00 0.00 C ATOM 1606 NE ARG A 97 -3.582 -3.284 -6.085 1.00 0.00 N ATOM 1607 CZ ARG A 97 -4.666 -3.919 -6.631 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -4.636 -5.258 -6.891 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -5.791 -3.201 -6.913 1.00 0.00 N ATOM 0 H ARG A 97 -0.600 -2.480 -2.045 1.00 0.00 H new ATOM 0 HA ARG A 97 1.759 -3.559 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.498 -3.794 -5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.256 -4.748 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.971 -2.870 -3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.276 -2.118 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.754 -4.215 -6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.484 -4.933 -5.274 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.656 -2.288 -5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.799 -5.800 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.451 -5.717 -7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.820 -2.200 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.603 -3.665 -7.320 1.00 0.00 H new ATOM 1623 N TRP A 98 1.962 -1.200 -4.719 1.00 0.00 N ATOM 1624 CA TRP A 98 2.144 0.213 -5.121 1.00 0.00 C ATOM 1625 C TRP A 98 1.267 0.651 -6.290 1.00 0.00 C ATOM 1626 O TRP A 98 1.179 -0.065 -7.275 1.00 0.00 O ATOM 1627 CB TRP A 98 3.640 0.566 -5.438 1.00 0.00 C ATOM 1628 CG TRP A 98 4.006 1.961 -4.922 1.00 0.00 C ATOM 1629 CD1 TRP A 98 3.611 3.202 -5.333 1.00 0.00 C ATOM 1630 CD2 TRP A 98 4.512 2.130 -3.601 1.00 0.00 C ATOM 1631 NE1 TRP A 98 3.597 4.071 -4.295 1.00 0.00 N ATOM 1632 CE2 TRP A 98 4.097 3.394 -3.188 1.00 0.00 C ATOM 1633 CE3 TRP A 98 5.210 1.276 -2.792 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 4.236 3.748 -1.882 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 5.448 1.689 -1.505 1.00 0.00 C ATOM 1636 CH2 TRP A 98 4.881 2.859 -1.060 1.00 0.00 C ATOM 0 H TRP A 98 2.628 -1.848 -5.139 1.00 0.00 H new ATOM 0 HA TRP A 98 1.822 0.771 -4.242 1.00 0.00 H new ATOM 0 HB2 TRP A 98 4.295 -0.176 -4.982 1.00 0.00 H new ATOM 0 HB3 TRP A 98 3.806 0.519 -6.514 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.346 3.456 -6.349 1.00 0.00 H new ATOM 0 HE1 TRP A 98 3.279 5.040 -4.320 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.559 0.319 -3.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 3.855 4.687 -1.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 6.074 1.101 -0.850 1.00 0.00 H new ATOM 0 HH2 TRP A 98 4.947 3.091 -0.007 1.00 0.00 H new ATOM 1647 N ILE A 99 0.625 1.852 -6.215 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.079 2.507 -7.309 1.00 0.00 C ATOM 1649 C ILE A 99 0.490 3.930 -7.439 1.00 0.00 C ATOM 1650 O ILE A 99 0.366 4.736 -6.518 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.615 2.482 -7.148 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.108 2.950 -5.748 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.083 1.039 -7.438 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.631 2.878 -5.562 1.00 0.00 C ATOM 0 H ILE A 99 0.594 2.394 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 99 0.090 1.956 -8.234 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.048 3.195 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.630 2.338 -4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.781 3.977 -5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.166 0.980 -7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.800 0.762 -8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.613 0.355 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.892 3.221 -4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.118 3.513 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.965 1.849 -5.691 1.00 0.00 H new ATOM 1666 N GLN A 100 1.146 4.295 -8.572 1.00 0.00 N ATOM 1667 CA GLN A 100 1.741 5.616 -8.758 1.00 0.00 C ATOM 1668 C GLN A 100 1.287 6.304 -10.061 1.00 0.00 C ATOM 1669 O GLN A 100 1.661 5.811 -11.123 1.00 0.00 O ATOM 1670 CB GLN A 100 3.283 5.513 -8.704 1.00 0.00 C ATOM 1671 CG GLN A 100 3.870 6.280 -7.497 1.00 0.00 C ATOM 1672 CD GLN A 100 3.441 7.760 -7.516 1.00 0.00 C ATOM 1673 OE1 GLN A 100 3.170 8.345 -8.566 1.00 0.00 O ATOM 1674 NE2 GLN A 100 3.344 8.402 -6.329 1.00 0.00 N ATOM 0 H GLN A 100 1.269 3.673 -9.371 1.00 0.00 H new ATOM 0 HA GLN A 100 1.387 6.244 -7.940 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.575 4.465 -8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.706 5.910 -9.627 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.537 5.814 -6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.958 6.214 -7.515 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.570 7.911 -5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.045 9.377 -6.299 1.00 0.00 H new