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 23 LYS NZ :NH3+ 177:sc= -0.112 (180deg=-0.0415) USER MOD Set 1.2: A 63 MET CE :methyl 175:sc= -0.725 (180deg=-0.91) USER MOD Set 2.1: A 31 HIS : no HE2:sc= -0.541 K(o=-0.55,f=-3.3) USER MOD Set 2.2: A 42 GLN : amide:sc= 0.125 K(o=-0.55,f=-1.1) USER MOD Set 2.3: A 45 MET CE :methyl -134:sc= -0.133 (180deg=-0.784) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -152:sc= -0.74 (180deg=-2.29!) USER MOD Single : A 30 SER OG : rot -92:sc= 1.23 USER MOD Single : A 32 ASN : amide:sc= 0.979 K(o=0.98,f=-1.4) USER MOD Single : A 35 CYS SG : rot -63:sc= 0.424 USER MOD Single : A 36 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.064) USER MOD Single : A 38 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.97) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -0.705 K(o=-0.71,f=-2.8!) USER MOD Single : A 53 SER OG : rot 77:sc= 1.19 USER MOD Single : A 56 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.35) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.04 F(o=-0.68,f=-0.04) 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 64 LYS NZ :NH3+ -170:sc=-0.00959 (180deg=-0.123) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc=-0.000589 X(o=-0.00059,f=0) USER MOD Single : A 79 SER OG : rot -127:sc= 1.52 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 5.315 9.993 15.829 1.00 0.00 N ATOM 285 CA TYR A 18 6.531 10.807 15.818 1.00 0.00 C ATOM 286 C TYR A 18 7.821 10.074 16.212 1.00 0.00 C ATOM 287 O TYR A 18 8.918 10.524 15.899 1.00 0.00 O ATOM 288 CB TYR A 18 6.317 12.158 16.571 1.00 0.00 C ATOM 289 CG TYR A 18 5.247 12.957 15.833 1.00 0.00 C ATOM 290 CD1 TYR A 18 5.558 13.499 14.593 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.945 13.121 16.301 1.00 0.00 C ATOM 292 CE1 TYR A 18 4.605 14.147 13.830 1.00 0.00 C ATOM 293 CE2 TYR A 18 2.990 13.771 15.534 1.00 0.00 C ATOM 294 CZ TYR A 18 3.317 14.277 14.294 1.00 0.00 C ATOM 295 OH TYR A 18 2.333 14.915 13.509 1.00 0.00 O ATOM 0 HA TYR A 18 6.710 11.044 14.769 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.010 11.974 17.601 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.249 12.721 16.612 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.567 13.412 14.217 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.676 12.737 17.274 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.873 14.553 12.866 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.984 13.882 15.910 1.00 0.00 H new ATOM 0 HH TYR A 18 1.480 14.917 13.992 1.00 0.00 H new ATOM 305 N ASP A 19 7.686 8.891 16.870 1.00 0.00 N ATOM 306 CA ASP A 19 8.751 7.958 17.226 1.00 0.00 C ATOM 307 C ASP A 19 9.057 6.979 16.082 1.00 0.00 C ATOM 308 O ASP A 19 10.020 7.171 15.347 1.00 0.00 O ATOM 309 CB ASP A 19 8.417 7.161 18.520 1.00 0.00 C ATOM 310 CG ASP A 19 8.226 8.135 19.686 1.00 0.00 C ATOM 311 OD1 ASP A 19 9.213 8.830 20.046 1.00 0.00 O ATOM 312 OD2 ASP A 19 7.091 8.195 20.229 1.00 0.00 O ATOM 0 H ASP A 19 6.772 8.559 17.177 1.00 0.00 H new ATOM 0 HA ASP A 19 9.637 8.565 17.412 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.512 6.571 18.373 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.221 6.460 18.746 1.00 0.00 H new ATOM 317 N MET A 20 8.260 5.878 15.920 1.00 0.00 N ATOM 318 CA MET A 20 8.392 4.803 14.928 1.00 0.00 C ATOM 319 C MET A 20 7.949 5.044 13.509 1.00 0.00 C ATOM 320 O MET A 20 8.538 4.483 12.592 1.00 0.00 O ATOM 321 CB MET A 20 7.885 3.407 15.464 1.00 0.00 C ATOM 322 CG MET A 20 6.561 2.763 14.936 1.00 0.00 C ATOM 323 SD MET A 20 6.468 2.056 13.224 1.00 0.00 S ATOM 324 CE MET A 20 8.147 1.517 12.744 1.00 0.00 C ATOM 0 H MET A 20 7.457 5.723 16.530 1.00 0.00 H new ATOM 0 HA MET A 20 9.476 4.791 14.816 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.683 2.688 15.280 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.783 3.500 16.545 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.295 1.964 15.628 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.783 3.522 15.012 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.250 1.570 11.660 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.886 2.168 13.211 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.308 0.491 13.074 1.00 0.00 H new ATOM 334 N VAL A 21 6.889 5.847 13.216 1.00 0.00 N ATOM 335 CA VAL A 21 6.368 5.963 11.812 1.00 0.00 C ATOM 336 C VAL A 21 7.260 6.655 10.811 1.00 0.00 C ATOM 337 O VAL A 21 7.212 6.319 9.633 1.00 0.00 O ATOM 338 CB VAL A 21 4.856 5.994 11.546 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.122 5.106 12.584 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.306 7.431 11.468 1.00 0.00 C ATOM 0 H VAL A 21 6.388 6.409 13.904 1.00 0.00 H new ATOM 0 HA VAL A 21 6.490 4.911 11.555 1.00 0.00 H new ATOM 0 HB VAL A 21 4.664 5.571 10.560 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.050 5.131 12.391 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.481 4.080 12.504 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.319 5.482 13.588 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.233 7.400 11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.493 7.944 12.411 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.802 7.967 10.659 1.00 0.00 H new ATOM 350 N VAL A 22 8.107 7.639 11.235 1.00 0.00 N ATOM 351 CA VAL A 22 9.051 8.409 10.414 1.00 0.00 C ATOM 352 C VAL A 22 10.011 7.573 9.531 1.00 0.00 C ATOM 353 O VAL A 22 10.225 7.913 8.370 1.00 0.00 O ATOM 354 CB VAL A 22 9.734 9.518 11.228 1.00 0.00 C ATOM 355 CG1 VAL A 22 10.859 9.038 12.171 1.00 0.00 C ATOM 356 CG2 VAL A 22 10.226 10.643 10.294 1.00 0.00 C ATOM 0 H VAL A 22 8.140 7.920 12.215 1.00 0.00 H new ATOM 0 HA VAL A 22 8.439 8.905 9.661 1.00 0.00 H new ATOM 0 HB VAL A 22 8.966 9.905 11.897 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.279 9.893 12.701 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.452 8.328 12.891 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.641 8.553 11.587 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.708 11.422 10.885 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.941 10.236 9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.378 11.067 9.757 1.00 0.00 H new ATOM 366 N LYS A 23 10.503 6.378 9.994 1.00 0.00 N ATOM 367 CA LYS A 23 11.220 5.421 9.124 1.00 0.00 C ATOM 368 C LYS A 23 10.326 4.648 8.126 1.00 0.00 C ATOM 369 O LYS A 23 10.728 4.318 7.013 1.00 0.00 O ATOM 370 CB LYS A 23 12.071 4.425 9.944 1.00 0.00 C ATOM 371 CG LYS A 23 11.272 3.622 10.984 1.00 0.00 C ATOM 372 CD LYS A 23 11.806 3.778 12.411 1.00 0.00 C ATOM 373 CE LYS A 23 11.698 5.213 12.942 1.00 0.00 C ATOM 374 NZ LYS A 23 12.148 5.283 14.350 1.00 0.00 N ATOM 0 H LYS A 23 10.410 6.069 10.961 1.00 0.00 H new ATOM 0 HA LYS A 23 11.872 6.053 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.557 3.730 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.862 4.974 10.455 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.230 3.941 10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.290 2.567 10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.256 3.110 13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.850 3.465 12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.303 5.880 12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.667 5.558 12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.116 6.270 14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.523 4.702 14.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.122 4.927 14.421 1.00 0.00 H new ATOM 388 N ILE A 24 9.048 4.375 8.519 1.00 0.00 N ATOM 389 CA ILE A 24 8.003 3.696 7.745 1.00 0.00 C ATOM 390 C ILE A 24 7.370 4.581 6.667 1.00 0.00 C ATOM 391 O ILE A 24 7.172 4.148 5.531 1.00 0.00 O ATOM 392 CB ILE A 24 7.027 2.870 8.586 1.00 0.00 C ATOM 393 CG1 ILE A 24 7.619 1.409 8.709 1.00 0.00 C ATOM 394 CG2 ILE A 24 5.556 2.928 8.028 1.00 0.00 C ATOM 395 CD1 ILE A 24 6.657 0.392 9.332 1.00 0.00 C ATOM 0 H ILE A 24 8.715 4.646 9.444 1.00 0.00 H new ATOM 0 HA ILE A 24 8.522 2.928 7.172 1.00 0.00 H new ATOM 0 HB ILE A 24 6.933 3.291 9.587 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.906 1.061 7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.528 1.447 9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.903 2.326 8.660 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.208 3.961 8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.537 2.537 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.140 -0.584 9.380 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.389 0.714 10.338 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.757 0.322 8.722 1.00 0.00 H new ATOM 407 N ILE A 25 7.094 5.887 6.964 1.00 0.00 N ATOM 408 CA ILE A 25 6.624 6.910 6.003 1.00 0.00 C ATOM 409 C ILE A 25 7.715 7.262 4.989 1.00 0.00 C ATOM 410 O ILE A 25 7.439 7.516 3.816 1.00 0.00 O ATOM 411 CB ILE A 25 5.946 8.136 6.610 1.00 0.00 C ATOM 412 CG1 ILE A 25 6.935 9.045 7.377 1.00 0.00 C ATOM 413 CG2 ILE A 25 4.778 7.607 7.470 1.00 0.00 C ATOM 414 CD1 ILE A 25 6.282 10.089 8.285 1.00 0.00 C ATOM 0 H ILE A 25 7.198 6.258 7.908 1.00 0.00 H new ATOM 0 HA ILE A 25 5.805 6.432 5.466 1.00 0.00 H new ATOM 0 HB ILE A 25 5.559 8.797 5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.588 8.416 7.982 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.568 9.559 6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.256 8.446 7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.085 7.050 6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.167 6.951 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.056 10.677 8.779 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.652 10.748 7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.672 9.587 9.036 1.00 0.00 H new ATOM 426 N ASP A 26 9.010 7.160 5.440 1.00 0.00 N ATOM 427 CA ASP A 26 10.226 7.218 4.613 1.00 0.00 C ATOM 428 C ASP A 26 10.391 5.988 3.708 1.00 0.00 C ATOM 429 O ASP A 26 10.841 6.158 2.579 1.00 0.00 O ATOM 430 CB ASP A 26 11.550 7.472 5.395 1.00 0.00 C ATOM 431 CG ASP A 26 11.629 8.898 5.962 1.00 0.00 C ATOM 432 OD1 ASP A 26 10.707 9.718 5.712 1.00 0.00 O ATOM 433 OD2 ASP A 26 12.638 9.179 6.665 1.00 0.00 O ATOM 0 H ASP A 26 9.222 7.031 6.429 1.00 0.00 H new ATOM 0 HA ASP A 26 10.056 8.100 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.631 6.754 6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.399 7.299 4.733 1.00 0.00 H new ATOM 438 N VAL A 27 9.956 4.730 4.107 1.00 0.00 N ATOM 439 CA VAL A 27 9.884 3.545 3.188 1.00 0.00 C ATOM 440 C VAL A 27 8.883 3.735 2.043 1.00 0.00 C ATOM 441 O VAL A 27 9.203 3.436 0.891 1.00 0.00 O ATOM 442 CB VAL A 27 9.764 2.067 3.694 1.00 0.00 C ATOM 443 CG1 VAL A 27 11.051 1.624 4.391 1.00 0.00 C ATOM 444 CG2 VAL A 27 8.535 1.610 4.529 1.00 0.00 C ATOM 0 H VAL A 27 9.654 4.524 5.059 1.00 0.00 H new ATOM 0 HA VAL A 27 10.934 3.591 2.898 1.00 0.00 H new ATOM 0 HB VAL A 27 9.584 1.559 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.944 0.595 4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.884 1.688 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.244 2.273 5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.639 0.555 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.478 2.199 5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.625 1.755 3.947 1.00 0.00 H new ATOM 454 N LEU A 28 7.678 4.317 2.317 1.00 0.00 N ATOM 455 CA LEU A 28 6.637 4.681 1.317 1.00 0.00 C ATOM 456 C LEU A 28 7.028 5.699 0.240 1.00 0.00 C ATOM 457 O LEU A 28 6.891 5.436 -0.954 1.00 0.00 O ATOM 458 CB LEU A 28 5.282 5.093 2.001 1.00 0.00 C ATOM 459 CG LEU A 28 4.286 3.931 2.234 1.00 0.00 C ATOM 460 CD1 LEU A 28 4.928 2.579 2.547 1.00 0.00 C ATOM 461 CD2 LEU A 28 3.264 4.214 3.348 1.00 0.00 C ATOM 0 H LEU A 28 7.400 4.551 3.270 1.00 0.00 H new ATOM 0 HA LEU A 28 6.510 3.750 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.504 5.559 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.797 5.849 1.384 1.00 0.00 H new ATOM 0 HG LEU A 28 3.790 3.868 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.149 1.831 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.567 2.279 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.527 2.662 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.598 3.358 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.789 4.387 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.680 5.097 3.090 1.00 0.00 H new ATOM 473 N ARG A 29 7.640 6.837 0.639 1.00 0.00 N ATOM 474 CA ARG A 29 8.298 7.864 -0.208 1.00 0.00 C ATOM 475 C ARG A 29 9.357 7.369 -1.233 1.00 0.00 C ATOM 476 O ARG A 29 9.692 8.043 -2.201 1.00 0.00 O ATOM 477 CB ARG A 29 8.883 8.946 0.746 1.00 0.00 C ATOM 478 CG ARG A 29 9.227 10.320 0.132 1.00 0.00 C ATOM 479 CD ARG A 29 8.084 11.001 -0.649 1.00 0.00 C ATOM 480 NE ARG A 29 6.883 11.157 0.255 1.00 0.00 N ATOM 481 CZ ARG A 29 5.618 10.712 -0.035 1.00 0.00 C ATOM 482 NH1 ARG A 29 5.332 10.104 -1.222 1.00 0.00 N ATOM 483 NH2 ARG A 29 4.627 10.874 0.891 1.00 0.00 N ATOM 0 H ARG A 29 7.692 7.081 1.628 1.00 0.00 H new ATOM 0 HA ARG A 29 7.526 8.260 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.168 9.107 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.789 8.542 1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.545 10.987 0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.079 10.197 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.408 11.976 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.820 10.405 -1.523 1.00 0.00 H new ATOM 0 HE ARG A 29 7.024 11.629 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.067 9.972 -1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.384 9.782 -1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.832 11.321 1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.682 10.548 0.689 1.00 0.00 H new ATOM 497 N SER A 30 9.992 6.207 -0.926 1.00 0.00 N ATOM 498 CA SER A 30 11.188 5.597 -1.521 1.00 0.00 C ATOM 499 C SER A 30 10.988 4.927 -2.864 1.00 0.00 C ATOM 500 O SER A 30 11.633 5.259 -3.852 1.00 0.00 O ATOM 501 CB SER A 30 11.898 4.668 -0.467 1.00 0.00 C ATOM 502 OG SER A 30 11.482 3.295 -0.416 1.00 0.00 O ATOM 0 H SER A 30 9.631 5.620 -0.174 1.00 0.00 H new ATOM 0 HA SER A 30 11.852 6.424 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.969 4.689 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.749 5.103 0.521 1.00 0.00 H new ATOM 0 HG SER A 30 10.771 3.193 0.250 1.00 0.00 H new ATOM 508 N HIS A 31 9.990 4.006 -2.956 1.00 0.00 N ATOM 509 CA HIS A 31 9.497 3.425 -4.202 1.00 0.00 C ATOM 510 C HIS A 31 8.590 4.414 -4.929 1.00 0.00 C ATOM 511 O HIS A 31 8.575 4.443 -6.147 1.00 0.00 O ATOM 512 CB HIS A 31 8.874 2.026 -4.051 1.00 0.00 C ATOM 513 CG HIS A 31 7.917 1.969 -2.917 1.00 0.00 C ATOM 514 ND1 HIS A 31 8.316 1.702 -1.627 1.00 0.00 N ATOM 515 CD2 HIS A 31 6.590 2.235 -2.861 1.00 0.00 C ATOM 516 CE1 HIS A 31 7.215 1.811 -0.855 1.00 0.00 C ATOM 517 NE2 HIS A 31 6.152 2.129 -1.559 1.00 0.00 N ATOM 0 H HIS A 31 9.504 3.648 -2.134 1.00 0.00 H new ATOM 0 HA HIS A 31 10.370 3.245 -4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.361 1.755 -4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.664 1.291 -3.898 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.259 1.468 -1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.970 2.491 -3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.208 1.656 0.214 1.00 0.00 H new ATOM 525 N ASN A 32 7.838 5.296 -4.191 1.00 0.00 N ATOM 526 CA ASN A 32 7.017 6.385 -4.719 1.00 0.00 C ATOM 527 C ASN A 32 7.775 7.492 -5.466 1.00 0.00 C ATOM 528 O ASN A 32 7.261 8.027 -6.439 1.00 0.00 O ATOM 529 CB ASN A 32 6.134 7.037 -3.617 1.00 0.00 C ATOM 530 CG ASN A 32 4.841 6.246 -3.448 1.00 0.00 C ATOM 531 OD1 ASN A 32 3.855 6.621 -4.086 1.00 0.00 O ATOM 532 ND2 ASN A 32 4.810 5.171 -2.631 1.00 0.00 N ATOM 0 H ASN A 32 7.802 5.245 -3.173 1.00 0.00 H new ATOM 0 HA ASN A 32 6.397 5.882 -5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.678 7.066 -2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.906 8.069 -3.885 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.948 4.636 -2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.649 4.894 -2.121 1.00 0.00 H new ATOM 539 N GLU A 33 9.037 7.867 -5.102 1.00 0.00 N ATOM 540 CA GLU A 33 9.862 8.816 -5.870 1.00 0.00 C ATOM 541 C GLU A 33 10.403 8.269 -7.188 1.00 0.00 C ATOM 542 O GLU A 33 10.482 8.989 -8.171 1.00 0.00 O ATOM 543 CB GLU A 33 10.952 9.504 -5.000 1.00 0.00 C ATOM 544 CG GLU A 33 12.185 8.648 -4.680 1.00 0.00 C ATOM 545 CD GLU A 33 13.144 9.417 -3.775 1.00 0.00 C ATOM 546 OE1 GLU A 33 12.754 9.708 -2.611 1.00 0.00 O ATOM 547 OE2 GLU A 33 14.278 9.720 -4.230 1.00 0.00 O ATOM 0 H GLU A 33 9.500 7.513 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 33 9.168 9.600 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.283 10.408 -5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.497 9.818 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.877 7.723 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.692 8.368 -5.604 1.00 0.00 H new ATOM 554 N ALA A 34 10.738 6.952 -7.226 1.00 0.00 N ATOM 555 CA ALA A 34 11.039 6.128 -8.404 1.00 0.00 C ATOM 556 C ALA A 34 9.849 5.735 -9.254 1.00 0.00 C ATOM 557 O ALA A 34 9.977 5.457 -10.450 1.00 0.00 O ATOM 558 CB ALA A 34 12.013 4.986 -8.083 1.00 0.00 C ATOM 0 H ALA A 34 10.807 6.409 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 34 11.575 6.794 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.204 4.406 -8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.951 5.401 -7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.577 4.339 -7.322 1.00 0.00 H new ATOM 564 N CYS A 35 8.619 5.681 -8.653 1.00 0.00 N ATOM 565 CA CYS A 35 7.345 5.310 -9.276 1.00 0.00 C ATOM 566 C CYS A 35 6.968 6.130 -10.486 1.00 0.00 C ATOM 567 O CYS A 35 6.423 5.566 -11.420 1.00 0.00 O ATOM 568 CB CYS A 35 6.126 5.161 -8.286 1.00 0.00 C ATOM 569 SG CYS A 35 5.028 6.569 -7.807 1.00 0.00 S ATOM 0 H CYS A 35 8.505 5.911 -7.666 1.00 0.00 H new ATOM 0 HA CYS A 35 7.565 4.305 -9.636 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.477 4.395 -8.710 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.531 4.757 -7.358 1.00 0.00 H new ATOM 0 HG CYS A 35 5.722 7.462 -7.167 1.00 0.00 H new ATOM 575 N GLN A 36 7.369 7.442 -10.528 1.00 0.00 N ATOM 576 CA GLN A 36 7.292 8.445 -11.609 1.00 0.00 C ATOM 577 C GLN A 36 7.875 8.045 -12.975 1.00 0.00 C ATOM 578 O GLN A 36 7.835 8.802 -13.938 1.00 0.00 O ATOM 579 CB GLN A 36 7.767 9.858 -11.159 1.00 0.00 C ATOM 580 CG GLN A 36 9.258 10.015 -10.792 1.00 0.00 C ATOM 581 CD GLN A 36 10.188 10.308 -11.975 1.00 0.00 C ATOM 582 OE1 GLN A 36 10.117 11.337 -12.652 1.00 0.00 O ATOM 583 NE2 GLN A 36 11.140 9.369 -12.210 1.00 0.00 N ATOM 0 H GLN A 36 7.802 7.855 -9.702 1.00 0.00 H new ATOM 0 HA GLN A 36 6.220 8.491 -11.803 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.540 10.562 -11.960 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.173 10.155 -10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.355 10.821 -10.065 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.594 9.101 -10.302 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.178 8.527 -11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.817 9.506 -12.960 1.00 0.00 H new ATOM 592 N GLU A 37 8.581 6.896 -12.990 1.00 0.00 N ATOM 593 CA GLU A 37 9.376 6.355 -14.085 1.00 0.00 C ATOM 594 C GLU A 37 8.991 4.924 -14.375 1.00 0.00 C ATOM 595 O GLU A 37 8.795 4.555 -15.532 1.00 0.00 O ATOM 596 CB GLU A 37 10.883 6.425 -13.686 1.00 0.00 C ATOM 597 CG GLU A 37 11.917 5.537 -14.418 1.00 0.00 C ATOM 598 CD GLU A 37 12.077 5.951 -15.881 1.00 0.00 C ATOM 599 OE1 GLU A 37 12.506 7.109 -16.127 1.00 0.00 O ATOM 600 OE2 GLU A 37 11.775 5.111 -16.772 1.00 0.00 O ATOM 0 H GLU A 37 8.605 6.286 -12.173 1.00 0.00 H new ATOM 0 HA GLU A 37 9.194 6.942 -14.985 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.202 7.460 -13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.949 6.191 -12.623 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.880 5.606 -13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.604 4.494 -14.366 1.00 0.00 H new ATOM 607 N ASN A 38 8.891 4.093 -13.318 1.00 0.00 N ATOM 608 CA ASN A 38 8.566 2.675 -13.379 1.00 0.00 C ATOM 609 C ASN A 38 7.313 2.540 -12.524 1.00 0.00 C ATOM 610 O ASN A 38 7.379 2.563 -11.293 1.00 0.00 O ATOM 611 CB ASN A 38 9.689 1.812 -12.766 1.00 0.00 C ATOM 612 CG ASN A 38 10.962 1.629 -13.600 1.00 0.00 C ATOM 613 OD1 ASN A 38 11.128 2.140 -14.706 1.00 0.00 O ATOM 614 ND2 ASN A 38 11.917 0.875 -12.990 1.00 0.00 N ATOM 0 H ASN A 38 9.043 4.417 -12.363 1.00 0.00 H new ATOM 0 HA ASN A 38 8.434 2.340 -14.408 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.971 2.253 -11.810 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.279 0.825 -12.553 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.813 0.715 -13.451 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.737 0.470 -12.071 1.00 0.00 H new ATOM 621 N LYS A 39 6.176 2.408 -13.246 1.00 0.00 N ATOM 622 CA LYS A 39 4.731 2.449 -13.001 1.00 0.00 C ATOM 623 C LYS A 39 4.238 2.045 -11.634 1.00 0.00 C ATOM 624 O LYS A 39 3.424 2.686 -10.983 1.00 0.00 O ATOM 625 CB LYS A 39 4.016 1.661 -14.158 1.00 0.00 C ATOM 626 CG LYS A 39 4.507 0.220 -14.501 1.00 0.00 C ATOM 627 CD LYS A 39 3.902 -0.874 -13.600 1.00 0.00 C ATOM 628 CE LYS A 39 2.894 -1.785 -14.306 1.00 0.00 C ATOM 629 NZ LYS A 39 2.258 -2.711 -13.340 1.00 0.00 N ATOM 0 H LYS A 39 6.302 2.229 -14.242 1.00 0.00 H new ATOM 0 HA LYS A 39 4.461 3.505 -13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.957 1.598 -13.909 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.095 2.261 -15.064 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.260 -0.000 -15.540 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.593 0.187 -14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.710 -1.487 -13.200 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.412 -0.399 -12.750 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.130 -1.180 -14.795 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.397 -2.355 -15.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.578 -3.320 -13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.988 -3.301 -12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.761 -2.163 -12.609 1.00 0.00 H new ATOM 643 N ASP A 40 4.758 0.906 -11.226 1.00 0.00 N ATOM 644 CA ASP A 40 4.706 0.313 -9.928 1.00 0.00 C ATOM 645 C ASP A 40 5.957 -0.543 -9.920 1.00 0.00 C ATOM 646 O ASP A 40 5.866 -1.723 -10.236 1.00 0.00 O ATOM 647 CB ASP A 40 3.278 -0.306 -9.749 1.00 0.00 C ATOM 648 CG ASP A 40 3.054 -1.593 -8.951 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.470 -1.657 -7.767 1.00 0.00 O ATOM 650 OD2 ASP A 40 2.412 -2.515 -9.523 1.00 0.00 O ATOM 0 H ASP A 40 5.282 0.319 -11.875 1.00 0.00 H new ATOM 0 HA ASP A 40 4.763 0.931 -9.032 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.656 0.462 -9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.882 -0.482 -10.749 1.00 0.00 H new ATOM 655 N LEU A 41 7.168 -0.008 -9.577 1.00 0.00 N ATOM 656 CA LEU A 41 8.465 -0.736 -9.608 1.00 0.00 C ATOM 657 C LEU A 41 8.692 -1.924 -8.669 1.00 0.00 C ATOM 658 O LEU A 41 9.481 -2.817 -8.960 1.00 0.00 O ATOM 659 CB LEU A 41 9.718 0.148 -9.594 1.00 0.00 C ATOM 660 CG LEU A 41 10.053 0.876 -8.291 1.00 0.00 C ATOM 661 CD1 LEU A 41 11.563 1.108 -8.306 1.00 0.00 C ATOM 662 CD2 LEU A 41 9.263 2.178 -8.218 1.00 0.00 C ATOM 0 H LEU A 41 7.266 0.959 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 41 8.322 -1.180 -10.593 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.572 -0.474 -9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.611 0.896 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 41 9.780 0.300 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.860 1.627 -7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.078 0.149 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.829 1.714 -9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.502 2.697 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.526 2.811 -9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.196 1.958 -8.247 1.00 0.00 H new ATOM 674 N GLN A 42 7.925 -1.925 -7.563 1.00 0.00 N ATOM 675 CA GLN A 42 7.697 -2.866 -6.482 1.00 0.00 C ATOM 676 C GLN A 42 6.523 -3.833 -6.756 1.00 0.00 C ATOM 677 O GLN A 42 5.899 -4.028 -5.724 1.00 0.00 O ATOM 678 CB GLN A 42 7.696 -2.230 -5.032 1.00 0.00 C ATOM 679 CG GLN A 42 9.085 -2.374 -4.373 1.00 0.00 C ATOM 680 CD GLN A 42 9.339 -1.455 -3.173 1.00 0.00 C ATOM 681 OE1 GLN A 42 10.430 -0.937 -2.932 1.00 0.00 O ATOM 682 NE2 GLN A 42 8.282 -1.222 -2.365 1.00 0.00 N ATOM 0 H GLN A 42 7.350 -1.100 -7.394 1.00 0.00 H new ATOM 0 HA GLN A 42 8.588 -3.493 -6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.424 -1.176 -5.092 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.943 -2.720 -4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.211 -3.408 -4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.848 -2.180 -5.126 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.380 -1.653 -2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.386 -0.615 -1.552 1.00 0.00 H new ATOM 691 N PRO A 43 6.046 -4.472 -7.901 1.00 0.00 N ATOM 692 CA PRO A 43 4.638 -4.750 -8.271 1.00 0.00 C ATOM 693 C PRO A 43 3.586 -5.201 -7.233 1.00 0.00 C ATOM 694 O PRO A 43 2.406 -4.947 -7.451 1.00 0.00 O ATOM 695 CB PRO A 43 4.779 -5.863 -9.326 1.00 0.00 C ATOM 696 CG PRO A 43 6.087 -5.563 -10.063 1.00 0.00 C ATOM 697 CD PRO A 43 6.866 -4.651 -9.101 1.00 0.00 C ATOM 0 HA PRO A 43 4.216 -3.784 -8.547 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.809 -6.847 -8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.932 -5.863 -10.013 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.640 -6.477 -10.280 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.902 -5.069 -11.017 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.827 -5.096 -8.845 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.075 -3.689 -9.569 1.00 0.00 H new ATOM 705 N TYR A 44 4.000 -5.828 -6.111 1.00 0.00 N ATOM 706 CA TYR A 44 3.211 -6.216 -4.967 1.00 0.00 C ATOM 707 C TYR A 44 4.270 -6.445 -3.874 1.00 0.00 C ATOM 708 O TYR A 44 5.286 -7.081 -4.158 1.00 0.00 O ATOM 709 CB TYR A 44 2.531 -7.626 -5.169 1.00 0.00 C ATOM 710 CG TYR A 44 1.278 -7.664 -6.051 1.00 0.00 C ATOM 711 CD1 TYR A 44 0.014 -7.540 -5.485 1.00 0.00 C ATOM 712 CD2 TYR A 44 1.328 -7.929 -7.419 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.139 -7.768 -6.215 1.00 0.00 C ATOM 714 CE2 TYR A 44 0.173 -8.094 -8.163 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.063 -8.044 -7.561 1.00 0.00 C ATOM 716 OH TYR A 44 -2.225 -8.267 -8.333 1.00 0.00 O ATOM 0 H TYR A 44 4.979 -6.088 -5.992 1.00 0.00 H new ATOM 0 HA TYR A 44 2.439 -5.474 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.270 -8.302 -5.598 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.269 -8.021 -4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.070 -7.258 -4.446 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.288 -8.007 -7.908 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.102 -7.729 -5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.243 -8.264 -9.227 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.971 -8.446 -9.262 1.00 0.00 H new ATOM 726 N MET A 45 4.047 -6.001 -2.606 1.00 0.00 N ATOM 727 CA MET A 45 4.897 -6.318 -1.433 1.00 0.00 C ATOM 728 C MET A 45 4.046 -6.858 -0.247 1.00 0.00 C ATOM 729 O MET A 45 2.952 -6.329 -0.049 1.00 0.00 O ATOM 730 CB MET A 45 5.831 -5.155 -0.932 1.00 0.00 C ATOM 731 CG MET A 45 6.191 -4.041 -1.947 1.00 0.00 C ATOM 732 SD MET A 45 4.994 -2.665 -1.992 1.00 0.00 S ATOM 733 CE MET A 45 5.573 -1.783 -0.506 1.00 0.00 C ATOM 0 H MET A 45 3.256 -5.402 -2.371 1.00 0.00 H new ATOM 0 HA MET A 45 5.569 -7.092 -1.803 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.352 -4.685 -0.073 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.761 -5.599 -0.576 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.176 -3.644 -1.702 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.263 -4.480 -2.942 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.717 -1.504 0.108 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.235 -2.432 0.067 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.114 -0.885 -0.804 1.00 0.00 H new ATOM 743 N PRO A 46 4.417 -7.861 0.609 1.00 0.00 N ATOM 744 CA PRO A 46 3.596 -8.381 1.734 1.00 0.00 C ATOM 745 C PRO A 46 3.513 -7.403 2.922 1.00 0.00 C ATOM 746 O PRO A 46 4.229 -6.397 2.921 1.00 0.00 O ATOM 747 CB PRO A 46 4.400 -9.636 2.158 1.00 0.00 C ATOM 748 CG PRO A 46 5.861 -9.273 1.862 1.00 0.00 C ATOM 749 CD PRO A 46 5.705 -8.557 0.514 1.00 0.00 C ATOM 0 HA PRO A 46 2.561 -8.559 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.253 -9.863 3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.088 -10.516 1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.291 -8.627 2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.501 -10.153 1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.522 -7.856 0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.712 -9.266 -0.314 1.00 0.00 H new ATOM 757 N ILE A 47 2.707 -7.700 4.009 1.00 0.00 N ATOM 758 CA ILE A 47 2.569 -6.875 5.240 1.00 0.00 C ATOM 759 C ILE A 47 3.933 -6.737 5.938 1.00 0.00 C ATOM 760 O ILE A 47 4.384 -5.602 6.091 1.00 0.00 O ATOM 761 CB ILE A 47 1.425 -7.289 6.201 1.00 0.00 C ATOM 762 CG1 ILE A 47 0.033 -7.357 5.529 1.00 0.00 C ATOM 763 CG2 ILE A 47 1.367 -6.381 7.460 1.00 0.00 C ATOM 764 CD1 ILE A 47 -0.429 -6.050 4.867 1.00 0.00 C ATOM 0 H ILE A 47 2.130 -8.541 4.037 1.00 0.00 H new ATOM 0 HA ILE A 47 2.244 -5.889 4.908 1.00 0.00 H new ATOM 0 HB ILE A 47 1.675 -8.305 6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.048 -8.144 4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.703 -7.648 6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.551 -6.706 8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.310 -6.451 8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.199 -5.348 7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.414 -6.195 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.482 -5.261 5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.280 -5.765 4.090 1.00 0.00 H new ATOM 776 N PRO A 48 4.716 -7.789 6.292 1.00 0.00 N ATOM 777 CA PRO A 48 6.141 -7.757 6.485 1.00 0.00 C ATOM 778 C PRO A 48 7.097 -7.160 5.442 1.00 0.00 C ATOM 779 O PRO A 48 8.214 -6.997 5.865 1.00 0.00 O ATOM 780 CB PRO A 48 6.551 -8.749 7.597 1.00 0.00 C ATOM 781 CG PRO A 48 5.357 -9.733 7.557 1.00 0.00 C ATOM 782 CD PRO A 48 4.275 -9.144 6.594 1.00 0.00 C ATOM 0 HA PRO A 48 6.504 -6.784 6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.500 -9.241 7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.655 -8.263 8.567 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.683 -10.713 7.209 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.943 -9.870 8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.192 -9.741 5.686 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.292 -9.141 7.064 1.00 0.00 H new ATOM 790 N HIS A 49 6.894 -6.852 4.107 1.00 0.00 N ATOM 791 CA HIS A 49 7.945 -6.060 3.368 1.00 0.00 C ATOM 792 C HIS A 49 7.881 -4.606 3.815 1.00 0.00 C ATOM 793 O HIS A 49 8.910 -4.072 4.228 1.00 0.00 O ATOM 794 CB HIS A 49 8.148 -6.135 1.813 1.00 0.00 C ATOM 795 CG HIS A 49 9.314 -5.278 1.210 1.00 0.00 C ATOM 796 ND1 HIS A 49 10.240 -4.554 1.955 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.495 -4.831 -0.068 1.00 0.00 C ATOM 798 CE1 HIS A 49 10.844 -3.662 1.142 1.00 0.00 C ATOM 799 NE2 HIS A 49 10.441 -3.814 -0.100 1.00 0.00 N ATOM 0 H HIS A 49 6.076 -7.118 3.559 1.00 0.00 H new ATOM 0 HA HIS A 49 8.832 -6.617 3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.317 -7.177 1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.218 -5.828 1.334 1.00 0.00 H new ATOM 0 HD1 HIS A 49 10.430 -4.677 2.949 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.975 -5.215 -0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.561 -2.923 1.468 1.00 0.00 H new ATOM 807 N VAL A 50 6.680 -3.952 3.889 1.00 0.00 N ATOM 808 CA VAL A 50 6.545 -2.616 4.519 1.00 0.00 C ATOM 809 C VAL A 50 6.968 -2.622 5.999 1.00 0.00 C ATOM 810 O VAL A 50 7.597 -1.682 6.488 1.00 0.00 O ATOM 811 CB VAL A 50 5.182 -1.960 4.340 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.256 -0.493 4.803 1.00 0.00 C ATOM 813 CG2 VAL A 50 4.795 -1.981 2.851 1.00 0.00 C ATOM 0 H VAL A 50 5.807 -4.330 3.522 1.00 0.00 H new ATOM 0 HA VAL A 50 7.244 -1.990 3.965 1.00 0.00 H new ATOM 0 HB VAL A 50 4.442 -2.504 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.281 -0.022 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.542 -0.457 5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.997 0.040 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.820 -1.512 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.540 -1.434 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.751 -3.012 2.501 1.00 0.00 H new ATOM 823 N ARG A 51 6.714 -3.778 6.685 1.00 0.00 N ATOM 824 CA ARG A 51 7.230 -4.096 8.006 1.00 0.00 C ATOM 825 C ARG A 51 8.718 -4.381 8.104 1.00 0.00 C ATOM 826 O ARG A 51 9.348 -3.679 8.855 1.00 0.00 O ATOM 827 CB ARG A 51 6.417 -5.197 8.721 1.00 0.00 C ATOM 828 CG ARG A 51 6.053 -4.980 10.176 1.00 0.00 C ATOM 829 CD ARG A 51 4.896 -4.031 10.496 1.00 0.00 C ATOM 830 NE ARG A 51 4.916 -2.789 9.642 1.00 0.00 N ATOM 831 CZ ARG A 51 4.156 -2.675 8.508 1.00 0.00 C ATOM 832 NH1 ARG A 51 3.359 -3.710 8.124 1.00 0.00 N ATOM 833 NH2 ARG A 51 4.168 -1.527 7.782 1.00 0.00 N ATOM 0 H ARG A 51 6.126 -4.518 6.302 1.00 0.00 H new ATOM 0 HA ARG A 51 7.094 -3.152 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.492 -5.344 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.982 -6.127 8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.816 -5.952 10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.940 -4.609 10.690 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.951 -4.553 10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.944 -3.746 11.547 1.00 0.00 H new ATOM 0 HE ARG A 51 5.514 -2.010 9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.330 -4.565 8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.791 -3.631 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.746 -0.741 8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.599 -1.451 6.939 1.00 0.00 H new ATOM 847 N ASP A 52 9.389 -5.319 7.369 1.00 0.00 N ATOM 848 CA ASP A 52 10.820 -5.742 7.431 1.00 0.00 C ATOM 849 C ASP A 52 11.862 -4.630 7.281 1.00 0.00 C ATOM 850 O ASP A 52 13.062 -4.841 7.399 1.00 0.00 O ATOM 851 CB ASP A 52 11.133 -6.900 6.411 1.00 0.00 C ATOM 852 CG ASP A 52 12.463 -7.654 6.602 1.00 0.00 C ATOM 853 OD1 ASP A 52 12.610 -8.337 7.648 1.00 0.00 O ATOM 854 OD2 ASP A 52 13.333 -7.560 5.695 1.00 0.00 O ATOM 0 H ASP A 52 8.893 -5.847 6.651 1.00 0.00 H new ATOM 0 HA ASP A 52 10.923 -6.099 8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.321 -7.625 6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.123 -6.479 5.406 1.00 0.00 H new ATOM 859 N SER A 53 11.361 -3.448 6.858 1.00 0.00 N ATOM 860 CA SER A 53 11.976 -2.221 6.515 1.00 0.00 C ATOM 861 C SER A 53 12.082 -1.243 7.665 1.00 0.00 C ATOM 862 O SER A 53 12.832 -0.276 7.569 1.00 0.00 O ATOM 863 CB SER A 53 11.084 -1.583 5.468 1.00 0.00 C ATOM 864 OG SER A 53 10.842 -2.419 4.330 1.00 0.00 O ATOM 0 H SER A 53 10.351 -3.362 6.745 1.00 0.00 H new ATOM 0 HA SER A 53 12.992 -2.434 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.130 -1.323 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.541 -0.652 5.133 1.00 0.00 H new ATOM 0 HG SER A 53 10.183 -3.106 4.563 1.00 0.00 H new ATOM 870 N LEU A 54 11.289 -1.433 8.782 1.00 0.00 N ATOM 871 CA LEU A 54 11.122 -0.503 9.908 1.00 0.00 C ATOM 872 C LEU A 54 12.418 -0.374 10.716 1.00 0.00 C ATOM 873 O LEU A 54 12.699 0.649 11.333 1.00 0.00 O ATOM 874 CB LEU A 54 9.993 -0.892 10.952 1.00 0.00 C ATOM 875 CG LEU A 54 9.777 -2.305 11.576 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.293 -2.629 11.403 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.689 -3.503 11.290 1.00 0.00 C ATOM 0 H LEU A 54 10.736 -2.282 8.902 1.00 0.00 H new ATOM 0 HA LEU A 54 10.832 0.426 9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.123 -0.213 11.795 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.048 -0.631 10.476 1.00 0.00 H new ATOM 0 HG LEU A 54 10.124 -2.177 12.601 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.084 -3.612 11.824 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.694 -1.878 11.919 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.042 -2.628 10.342 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.331 -4.372 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.679 -3.721 10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.706 -3.269 11.603 1.00 0.00 H new ATOM 889 N ILE A 55 13.224 -1.462 10.638 1.00 0.00 N ATOM 890 CA ILE A 55 14.583 -1.700 11.128 1.00 0.00 C ATOM 891 C ILE A 55 15.011 -2.691 10.048 1.00 0.00 C ATOM 892 O ILE A 55 14.136 -3.311 9.457 1.00 0.00 O ATOM 893 CB ILE A 55 14.846 -2.362 12.519 1.00 0.00 C ATOM 894 CG1 ILE A 55 13.766 -2.296 13.620 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.170 -1.868 13.142 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.173 -0.958 13.925 1.00 0.00 C ATOM 0 H ILE A 55 12.878 -2.297 10.165 1.00 0.00 H new ATOM 0 HA ILE A 55 15.086 -0.746 11.287 1.00 0.00 H new ATOM 0 HB ILE A 55 14.860 -3.409 12.217 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.955 -2.967 13.336 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.199 -2.690 14.540 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.319 -2.350 14.108 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.999 -2.118 12.480 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.127 -0.787 13.278 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.430 -1.061 14.716 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.959 -0.277 14.252 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.696 -0.559 13.030 1.00 0.00 H new ATOM 908 N GLN A 56 16.328 -2.870 9.788 1.00 0.00 N ATOM 909 CA GLN A 56 16.885 -3.788 8.798 1.00 0.00 C ATOM 910 C GLN A 56 17.222 -5.226 9.261 1.00 0.00 C ATOM 911 O GLN A 56 16.834 -6.135 8.532 1.00 0.00 O ATOM 912 CB GLN A 56 18.134 -3.179 8.080 1.00 0.00 C ATOM 913 CG GLN A 56 17.848 -1.878 7.284 1.00 0.00 C ATOM 914 CD GLN A 56 17.694 -0.639 8.171 1.00 0.00 C ATOM 915 OE1 GLN A 56 18.658 -0.142 8.751 1.00 0.00 O ATOM 916 NE2 GLN A 56 16.449 -0.117 8.301 1.00 0.00 N ATOM 0 H GLN A 56 17.050 -2.352 10.289 1.00 0.00 H new ATOM 0 HA GLN A 56 16.045 -3.906 8.113 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.901 -2.972 8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.545 -3.924 7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.659 -1.709 6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.938 -2.012 6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.663 -0.545 7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.299 0.703 8.889 1.00 0.00 H new ATOM 925 N PRO A 57 17.926 -5.540 10.384 1.00 0.00 N ATOM 926 CA PRO A 57 18.514 -6.871 10.632 1.00 0.00 C ATOM 927 C PRO A 57 17.572 -7.793 11.418 1.00 0.00 C ATOM 928 O PRO A 57 16.424 -7.950 11.031 1.00 0.00 O ATOM 929 CB PRO A 57 19.757 -6.475 11.462 1.00 0.00 C ATOM 930 CG PRO A 57 19.210 -5.370 12.370 1.00 0.00 C ATOM 931 CD PRO A 57 18.398 -4.551 11.358 1.00 0.00 C ATOM 0 HA PRO A 57 18.728 -7.442 9.729 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.147 -7.316 12.036 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.570 -6.116 10.830 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.591 -5.764 13.176 1.00 0.00 H new ATOM 0 HG3 PRO A 57 20.004 -4.785 12.835 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.565 -4.038 11.839 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.012 -3.786 10.882 1.00 0.00 H new ATOM 939 N HIS A 58 18.058 -8.385 12.557 1.00 0.00 N ATOM 940 CA HIS A 58 17.370 -9.252 13.520 1.00 0.00 C ATOM 941 C HIS A 58 16.415 -8.483 14.438 1.00 0.00 C ATOM 942 O HIS A 58 15.422 -9.020 14.910 1.00 0.00 O ATOM 943 CB HIS A 58 18.377 -10.068 14.396 1.00 0.00 C ATOM 944 CG HIS A 58 17.728 -10.975 15.424 1.00 0.00 C ATOM 945 ND1 HIS A 58 17.176 -10.642 16.627 1.00 0.00 N flip ATOM 946 CD2 HIS A 58 17.426 -12.308 15.233 1.00 0.00 C flip ATOM 947 CE1 HIS A 58 16.532 -11.729 17.182 1.00 0.00 C flip ATOM 948 NE2 HIS A 58 16.716 -12.709 16.319 1.00 0.00 N flip ATOM 0 H HIS A 58 19.030 -8.242 12.830 1.00 0.00 H new ATOM 0 HA HIS A 58 16.781 -9.940 12.914 1.00 0.00 H new ATOM 0 HB2 HIS A 58 19.002 -10.673 13.739 1.00 0.00 H new ATOM 0 HB3 HIS A 58 19.038 -9.371 14.911 1.00 0.00 H new ATOM 0 HD2 HIS A 58 17.701 -12.915 14.383 1.00 0.00 H new ATOM 0 HE1 HIS A 58 15.995 -11.768 18.118 1.00 0.00 H new ATOM 0 HE2 HIS A 58 16.366 -13.658 16.452 1.00 0.00 H new ATOM 956 N ASP A 59 16.688 -7.176 14.698 1.00 0.00 N ATOM 957 CA ASP A 59 15.958 -6.207 15.500 1.00 0.00 C ATOM 958 C ASP A 59 14.758 -5.662 14.770 1.00 0.00 C ATOM 959 O ASP A 59 14.036 -4.847 15.316 1.00 0.00 O ATOM 960 CB ASP A 59 16.895 -5.020 15.870 1.00 0.00 C ATOM 961 CG ASP A 59 18.046 -5.536 16.738 1.00 0.00 C ATOM 962 OD1 ASP A 59 17.765 -6.026 17.864 1.00 0.00 O ATOM 963 OD2 ASP A 59 19.219 -5.445 16.284 1.00 0.00 O ATOM 0 H ASP A 59 17.522 -6.747 14.297 1.00 0.00 H new ATOM 0 HA ASP A 59 15.613 -6.721 16.397 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.287 -4.555 14.965 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.335 -4.253 16.406 1.00 0.00 H new ATOM 968 N ARG A 60 14.474 -6.114 13.514 1.00 0.00 N ATOM 969 CA ARG A 60 13.321 -5.794 12.672 1.00 0.00 C ATOM 970 C ARG A 60 11.971 -6.005 13.319 1.00 0.00 C ATOM 971 O ARG A 60 11.222 -5.061 13.542 1.00 0.00 O ATOM 972 CB ARG A 60 13.464 -6.458 11.269 1.00 0.00 C ATOM 973 CG ARG A 60 13.019 -7.920 11.015 1.00 0.00 C ATOM 974 CD ARG A 60 13.603 -8.962 11.978 1.00 0.00 C ATOM 975 NE ARG A 60 13.210 -10.355 11.566 1.00 0.00 N ATOM 976 CZ ARG A 60 13.937 -11.125 10.697 1.00 0.00 C ATOM 977 NH1 ARG A 60 15.088 -10.660 10.131 1.00 0.00 N ATOM 978 NH2 ARG A 60 13.499 -12.382 10.393 1.00 0.00 N ATOM 0 H ARG A 60 15.106 -6.761 13.043 1.00 0.00 H new ATOM 0 HA ARG A 60 13.339 -4.713 12.530 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.914 -5.833 10.565 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.517 -6.396 10.995 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.931 -7.966 11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.296 -8.195 9.997 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.690 -8.877 11.997 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.251 -8.765 12.990 1.00 0.00 H new ATOM 0 HE ARG A 60 12.353 -10.748 11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.423 -9.722 10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.614 -11.250 9.486 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.640 -12.738 10.812 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.031 -12.965 9.747 1.00 0.00 H new ATOM 992 N LYS A 61 11.622 -7.237 13.765 1.00 0.00 N ATOM 993 CA LYS A 61 10.379 -7.584 14.428 1.00 0.00 C ATOM 994 C LYS A 61 10.038 -6.831 15.714 1.00 0.00 C ATOM 995 O LYS A 61 8.874 -6.593 16.041 1.00 0.00 O ATOM 996 CB LYS A 61 9.796 -8.985 14.127 1.00 0.00 C ATOM 997 CG LYS A 61 8.560 -9.450 14.950 1.00 0.00 C ATOM 998 CD LYS A 61 8.892 -9.913 16.378 1.00 0.00 C ATOM 999 CE LYS A 61 7.836 -10.854 16.962 1.00 0.00 C ATOM 1000 NZ LYS A 61 8.132 -11.180 18.377 1.00 0.00 N ATOM 0 H LYS A 61 12.241 -8.040 13.658 1.00 0.00 H new ATOM 0 HA LYS A 61 9.609 -7.063 13.859 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.526 -9.015 13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.590 -9.717 14.274 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.844 -8.630 15.003 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.071 -10.267 14.420 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.858 -10.417 16.375 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.990 -9.040 17.024 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.852 -10.390 16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.798 -11.772 16.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.400 -11.819 18.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.060 -11.644 18.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.144 -10.305 18.940 1.00 0.00 H new ATOM 1014 N LYS A 62 11.087 -6.329 16.421 1.00 0.00 N ATOM 1015 CA LYS A 62 11.005 -5.402 17.553 1.00 0.00 C ATOM 1016 C LYS A 62 10.223 -4.080 17.302 1.00 0.00 C ATOM 1017 O LYS A 62 9.625 -3.528 18.224 1.00 0.00 O ATOM 1018 CB LYS A 62 12.447 -5.189 18.133 1.00 0.00 C ATOM 1019 CG LYS A 62 12.560 -4.119 19.232 1.00 0.00 C ATOM 1020 CD LYS A 62 13.919 -4.069 19.950 1.00 0.00 C ATOM 1021 CE LYS A 62 15.034 -3.542 19.036 1.00 0.00 C ATOM 1022 NZ LYS A 62 16.329 -3.465 19.751 1.00 0.00 N ATOM 0 H LYS A 62 12.050 -6.579 16.197 1.00 0.00 H new ATOM 0 HA LYS A 62 10.374 -5.873 18.306 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.804 -6.138 18.534 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.114 -4.918 17.315 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.363 -3.142 18.790 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.780 -4.296 19.973 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.840 -3.431 20.830 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.180 -5.067 20.302 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.134 -4.194 18.169 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.764 -2.554 18.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.061 -3.105 19.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.239 -2.823 20.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.598 -4.412 20.086 1.00 0.00 H new ATOM 1036 N MET A 63 10.134 -3.589 16.026 1.00 0.00 N ATOM 1037 CA MET A 63 9.235 -2.484 15.668 1.00 0.00 C ATOM 1038 C MET A 63 8.052 -2.868 14.796 1.00 0.00 C ATOM 1039 O MET A 63 7.202 -2.029 14.501 1.00 0.00 O ATOM 1040 CB MET A 63 9.871 -1.087 15.448 1.00 0.00 C ATOM 1041 CG MET A 63 10.503 -0.522 16.751 1.00 0.00 C ATOM 1042 SD MET A 63 10.643 1.296 16.829 1.00 0.00 S ATOM 1043 CE MET A 63 11.742 1.548 15.414 1.00 0.00 C ATOM 0 H MET A 63 10.679 -3.951 15.244 1.00 0.00 H new ATOM 0 HA MET A 63 8.745 -2.274 16.619 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.636 -1.155 14.674 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.110 -0.396 15.085 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.908 -0.860 17.599 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.498 -0.951 16.868 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.876 2.616 15.243 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.709 1.089 15.618 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.304 1.091 14.527 1.00 0.00 H new ATOM 1053 N LYS A 64 7.901 -4.181 14.424 1.00 0.00 N ATOM 1054 CA LYS A 64 6.766 -4.803 13.737 1.00 0.00 C ATOM 1055 C LYS A 64 5.588 -4.923 14.725 1.00 0.00 C ATOM 1056 O LYS A 64 4.428 -4.659 14.403 1.00 0.00 O ATOM 1057 CB LYS A 64 7.219 -6.167 13.100 1.00 0.00 C ATOM 1058 CG LYS A 64 6.118 -7.215 12.978 1.00 0.00 C ATOM 1059 CD LYS A 64 6.450 -8.423 12.092 1.00 0.00 C ATOM 1060 CE LYS A 64 5.307 -9.446 12.004 1.00 0.00 C ATOM 1061 NZ LYS A 64 5.014 -10.037 13.331 1.00 0.00 N ATOM 0 H LYS A 64 8.634 -4.863 14.620 1.00 0.00 H new ATOM 0 HA LYS A 64 6.414 -4.190 12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.625 -5.971 12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.029 -6.580 13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.872 -7.576 13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.224 -6.733 12.584 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.693 -8.073 11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.340 -8.916 12.482 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.412 -8.963 11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.575 -10.236 11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.362 -10.839 13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.898 -10.368 13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.575 -9.319 13.942 1.00 0.00 H new ATOM 1075 N LYS A 65 5.909 -5.302 16.000 1.00 0.00 N ATOM 1076 CA LYS A 65 4.946 -5.411 17.104 1.00 0.00 C ATOM 1077 C LYS A 65 4.374 -4.068 17.649 1.00 0.00 C ATOM 1078 O LYS A 65 3.223 -4.009 18.070 1.00 0.00 O ATOM 1079 CB LYS A 65 5.502 -6.301 18.249 1.00 0.00 C ATOM 1080 CG LYS A 65 5.522 -7.806 17.904 1.00 0.00 C ATOM 1081 CD LYS A 65 4.115 -8.434 17.810 1.00 0.00 C ATOM 1082 CE LYS A 65 4.136 -9.936 17.495 1.00 0.00 C ATOM 1083 NZ LYS A 65 2.761 -10.484 17.420 1.00 0.00 N ATOM 0 H LYS A 65 6.861 -5.540 16.277 1.00 0.00 H new ATOM 0 HA LYS A 65 4.080 -5.897 16.655 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.515 -5.978 18.491 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.897 -6.149 19.143 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.038 -7.946 16.954 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.098 -8.337 18.662 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.591 -8.276 18.753 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.545 -7.917 17.038 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.651 -10.105 16.549 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.700 -10.464 18.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.804 -11.501 17.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.280 -10.342 18.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.233 -9.994 16.670 1.00 0.00 H new ATOM 1097 N VAL A 66 5.131 -2.921 17.592 1.00 0.00 N ATOM 1098 CA VAL A 66 4.659 -1.546 17.894 1.00 0.00 C ATOM 1099 C VAL A 66 3.808 -1.000 16.759 1.00 0.00 C ATOM 1100 O VAL A 66 2.869 -0.250 17.016 1.00 0.00 O ATOM 1101 CB VAL A 66 5.601 -0.501 18.538 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.844 -0.168 17.703 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.846 0.812 18.899 1.00 0.00 C ATOM 0 H VAL A 66 6.115 -2.942 17.325 1.00 0.00 H new ATOM 0 HA VAL A 66 4.050 -1.726 18.780 1.00 0.00 H new ATOM 0 HB VAL A 66 5.955 -0.983 19.449 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.448 0.572 18.228 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.432 -1.073 17.549 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.537 0.234 16.738 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.542 1.520 19.349 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.420 1.247 17.995 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.047 0.590 19.606 1.00 0.00 H new ATOM 1113 N TRP A 67 4.052 -1.397 15.464 1.00 0.00 N ATOM 1114 CA TRP A 67 3.225 -1.026 14.291 1.00 0.00 C ATOM 1115 C TRP A 67 1.711 -1.282 14.436 1.00 0.00 C ATOM 1116 O TRP A 67 0.891 -0.500 13.970 1.00 0.00 O ATOM 1117 CB TRP A 67 3.756 -1.724 13.005 1.00 0.00 C ATOM 1118 CG TRP A 67 2.877 -1.691 11.757 1.00 0.00 C ATOM 1119 CD1 TRP A 67 2.023 -2.653 11.294 1.00 0.00 C ATOM 1120 CD2 TRP A 67 2.722 -0.554 10.906 1.00 0.00 C ATOM 1121 NE1 TRP A 67 1.443 -2.241 10.121 1.00 0.00 N ATOM 1122 CE2 TRP A 67 1.847 -0.930 9.885 1.00 0.00 C ATOM 1123 CE3 TRP A 67 3.254 0.697 10.980 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 1.539 -0.056 8.880 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 2.894 1.590 9.996 1.00 0.00 C ATOM 1126 CH2 TRP A 67 2.093 1.205 8.934 1.00 0.00 C ATOM 0 H TRP A 67 4.843 -1.992 15.218 1.00 0.00 H new ATOM 0 HA TRP A 67 3.328 0.057 14.217 1.00 0.00 H new ATOM 0 HB2 TRP A 67 4.714 -1.271 12.751 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.952 -2.768 13.248 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.833 -3.598 11.780 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.826 -2.796 9.528 1.00 0.00 H new ATOM 0 HE3 TRP A 67 3.929 0.977 11.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.884 -0.344 8.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.243 2.610 10.053 1.00 0.00 H new ATOM 0 HH2 TRP A 67 1.899 1.905 8.134 1.00 0.00 H new ATOM 1137 N ASP A 68 1.346 -2.349 15.197 1.00 0.00 N ATOM 1138 CA ASP A 68 0.013 -2.788 15.626 1.00 0.00 C ATOM 1139 C ASP A 68 -0.764 -1.665 16.353 1.00 0.00 C ATOM 1140 O ASP A 68 -1.929 -1.386 16.086 1.00 0.00 O ATOM 1141 CB ASP A 68 0.220 -4.001 16.582 1.00 0.00 C ATOM 1142 CG ASP A 68 0.953 -5.181 15.913 1.00 0.00 C ATOM 1143 OD1 ASP A 68 1.093 -5.200 14.662 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.364 -6.099 16.672 1.00 0.00 O ATOM 0 H ASP A 68 2.062 -2.981 15.556 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.581 -3.060 14.754 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.788 -3.676 17.454 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.751 -4.342 16.942 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.035 -0.936 17.240 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.377 0.341 17.852 1.00 0.00 C ATOM 1151 C ARG A 69 -0.178 1.565 16.937 1.00 0.00 C ATOM 1152 O ARG A 69 -1.067 2.405 16.840 1.00 0.00 O ATOM 1153 CB ARG A 69 0.389 0.462 19.198 1.00 0.00 C ATOM 1154 CG ARG A 69 0.066 1.673 20.102 1.00 0.00 C ATOM 1155 CD ARG A 69 -1.437 1.860 20.368 1.00 0.00 C ATOM 1156 NE ARG A 69 -1.614 2.850 21.485 1.00 0.00 N ATOM 1157 CZ ARG A 69 -2.819 3.081 22.094 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -3.945 2.421 21.694 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -2.895 3.988 23.111 1.00 0.00 N ATOM 0 H ARG A 69 0.875 -1.267 17.559 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.451 0.347 18.037 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.202 -0.445 19.773 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.456 0.484 18.976 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.583 1.553 21.054 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.459 2.577 19.638 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.938 2.214 19.467 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.894 0.907 20.633 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.799 3.374 21.804 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.896 1.745 20.932 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.835 2.604 22.157 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.058 4.488 23.412 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.788 4.166 23.570 1.00 0.00 H new ATOM 1173 N ALA A 70 0.983 1.731 16.223 1.00 0.00 N ATOM 1174 CA ALA A 70 1.319 2.887 15.371 1.00 0.00 C ATOM 1175 C ALA A 70 0.406 3.173 14.156 1.00 0.00 C ATOM 1176 O ALA A 70 0.135 4.336 13.836 1.00 0.00 O ATOM 1177 CB ALA A 70 2.805 2.862 14.980 1.00 0.00 C ATOM 0 H ALA A 70 1.725 1.031 16.236 1.00 0.00 H new ATOM 0 HA ALA A 70 1.112 3.742 16.014 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.030 3.724 14.352 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.419 2.899 15.880 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.021 1.946 14.430 1.00 0.00 H new ATOM 1183 N VAL A 71 -0.159 2.081 13.539 1.00 0.00 N ATOM 1184 CA VAL A 71 -1.215 2.019 12.492 1.00 0.00 C ATOM 1185 C VAL A 71 -2.461 2.808 12.835 1.00 0.00 C ATOM 1186 O VAL A 71 -2.975 3.509 11.976 1.00 0.00 O ATOM 1187 CB VAL A 71 -1.691 0.597 12.136 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -2.932 0.499 11.204 1.00 0.00 C ATOM 1189 CG2 VAL A 71 -0.572 -0.039 11.337 1.00 0.00 C ATOM 0 H VAL A 71 0.148 1.142 13.792 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.699 2.459 11.638 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.955 0.131 13.085 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.171 -0.549 11.026 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.782 0.990 11.678 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.714 0.988 10.255 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.856 -1.053 11.057 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.388 0.548 10.437 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.334 -0.070 11.942 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.947 2.762 14.118 1.00 0.00 N ATOM 1200 CA ASP A 72 -4.096 3.482 14.695 1.00 0.00 C ATOM 1201 C ASP A 72 -3.985 5.008 14.517 1.00 0.00 C ATOM 1202 O ASP A 72 -4.928 5.678 14.114 1.00 0.00 O ATOM 1203 CB ASP A 72 -4.304 2.989 16.171 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.490 3.625 16.908 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.640 3.483 16.413 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.257 4.253 17.976 1.00 0.00 O ATOM 0 H ASP A 72 -2.499 2.169 14.817 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.007 3.244 14.146 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.440 1.908 16.161 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.394 3.190 16.737 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.762 5.541 14.741 1.00 0.00 N ATOM 1212 CA PHE A 73 -2.257 6.883 14.461 1.00 0.00 C ATOM 1213 C PHE A 73 -1.909 7.174 12.992 1.00 0.00 C ATOM 1214 O PHE A 73 -2.483 8.112 12.438 1.00 0.00 O ATOM 1215 CB PHE A 73 -1.053 7.154 15.403 1.00 0.00 C ATOM 1216 CG PHE A 73 -1.373 6.732 16.833 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -2.576 7.095 17.424 1.00 0.00 C ATOM 1218 CD2 PHE A 73 -0.499 5.946 17.576 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -2.928 6.642 18.676 1.00 0.00 C ATOM 1220 CE2 PHE A 73 -0.852 5.494 18.834 1.00 0.00 C ATOM 1221 CZ PHE A 73 -2.071 5.832 19.381 1.00 0.00 C ATOM 0 H PHE A 73 -2.034 4.969 15.169 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.076 7.575 14.657 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.178 6.610 15.047 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.800 8.214 15.381 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.251 7.747 16.890 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.466 5.686 17.166 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.879 6.924 19.104 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.168 4.872 19.392 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.351 5.463 20.357 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.986 6.407 12.304 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.622 6.620 10.864 1.00 0.00 C ATOM 1233 C LEU A 74 -1.765 6.471 9.848 1.00 0.00 C ATOM 1234 O LEU A 74 -1.873 7.279 8.920 1.00 0.00 O ATOM 1235 CB LEU A 74 0.552 5.710 10.380 1.00 0.00 C ATOM 1236 CG LEU A 74 1.090 5.984 8.951 1.00 0.00 C ATOM 1237 CD1 LEU A 74 1.570 7.417 8.706 1.00 0.00 C ATOM 1238 CD2 LEU A 74 2.254 5.052 8.648 1.00 0.00 C ATOM 0 H LEU A 74 -0.482 5.632 12.736 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.322 7.668 10.878 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.379 5.815 11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.223 4.672 10.428 1.00 0.00 H new ATOM 0 HG LEU A 74 0.236 5.813 8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.927 7.511 7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.744 8.110 8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.381 7.652 9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.627 5.250 7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.052 5.220 9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.918 4.017 8.713 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.694 5.473 10.012 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.850 5.267 9.140 1.00 0.00 C ATOM 1252 C ALA A 75 -4.877 6.412 9.042 1.00 0.00 C ATOM 1253 O ALA A 75 -5.690 6.432 8.124 1.00 0.00 O ATOM 1254 CB ALA A 75 -4.530 3.929 9.484 1.00 0.00 C ATOM 0 H ALA A 75 -2.639 4.793 10.770 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.428 5.247 8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.391 3.780 8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.821 3.113 9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.860 3.945 10.523 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.807 7.438 9.953 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.577 8.668 9.925 1.00 0.00 C ATOM 1262 C ALA A 76 -5.009 9.728 8.949 1.00 0.00 C ATOM 1263 O ALA A 76 -5.657 10.733 8.664 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.652 9.221 11.368 1.00 0.00 C ATOM 0 H ALA A 76 -4.174 7.399 10.752 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.574 8.440 9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.227 10.147 11.373 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.137 8.489 12.013 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.645 9.417 11.735 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.777 9.514 8.397 1.00 0.00 N ATOM 1271 CA ASN A 77 -3.109 10.402 7.449 1.00 0.00 C ATOM 1272 C ASN A 77 -2.911 9.742 6.080 1.00 0.00 C ATOM 1273 O ASN A 77 -2.120 10.224 5.271 1.00 0.00 O ATOM 1274 CB ASN A 77 -1.748 10.906 8.016 1.00 0.00 C ATOM 1275 CG ASN A 77 -1.943 11.790 9.255 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -1.420 11.483 10.328 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -2.672 12.921 9.105 1.00 0.00 N ATOM 0 H ASN A 77 -3.221 8.688 8.619 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.764 11.261 7.305 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.122 10.052 8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.219 11.469 7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.803 13.552 9.896 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.090 13.142 8.201 1.00 0.00 H new ATOM 1284 N GLU A 78 -3.660 8.640 5.790 1.00 0.00 N ATOM 1285 CA GLU A 78 -3.702 7.880 4.530 1.00 0.00 C ATOM 1286 C GLU A 78 -2.491 6.963 4.214 1.00 0.00 C ATOM 1287 O GLU A 78 -1.952 6.293 5.091 1.00 0.00 O ATOM 1288 CB GLU A 78 -4.149 8.773 3.327 1.00 0.00 C ATOM 1289 CG GLU A 78 -4.969 8.042 2.241 1.00 0.00 C ATOM 1290 CD GLU A 78 -5.343 9.024 1.132 1.00 0.00 C ATOM 1291 OE1 GLU A 78 -6.087 9.998 1.428 1.00 0.00 O ATOM 1292 OE2 GLU A 78 -4.894 8.811 -0.026 1.00 0.00 O ATOM 0 H GLU A 78 -4.290 8.241 6.486 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.482 7.139 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.741 9.604 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.261 9.202 2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.390 7.216 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.870 7.612 2.679 1.00 0.00 H new ATOM 1299 N SER A 79 -2.050 6.900 2.934 1.00 0.00 N ATOM 1300 CA SER A 79 -0.929 6.116 2.426 1.00 0.00 C ATOM 1301 C SER A 79 -0.815 6.498 0.956 1.00 0.00 C ATOM 1302 O SER A 79 -1.566 7.341 0.467 1.00 0.00 O ATOM 1303 CB SER A 79 -1.063 4.549 2.572 1.00 0.00 C ATOM 1304 OG SER A 79 0.111 3.819 2.164 1.00 0.00 O ATOM 0 H SER A 79 -2.505 7.433 2.193 1.00 0.00 H new ATOM 0 HA SER A 79 -0.046 6.348 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.284 4.309 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.913 4.211 1.979 1.00 0.00 H new ATOM 0 HG SER A 79 -0.140 3.136 1.507 1.00 0.00 H new ATOM 1310 N ARG A 80 0.125 5.816 0.263 1.00 0.00 N ATOM 1311 CA ARG A 80 0.440 5.857 -1.151 1.00 0.00 C ATOM 1312 C ARG A 80 0.273 4.442 -1.689 1.00 0.00 C ATOM 1313 O ARG A 80 -0.446 4.249 -2.668 1.00 0.00 O ATOM 1314 CB ARG A 80 1.860 6.419 -1.402 1.00 0.00 C ATOM 1315 CG ARG A 80 2.091 7.862 -0.901 1.00 0.00 C ATOM 1316 CD ARG A 80 1.216 8.917 -1.599 1.00 0.00 C ATOM 1317 NE ARG A 80 1.566 10.288 -1.075 1.00 0.00 N ATOM 1318 CZ ARG A 80 1.001 10.855 0.038 1.00 0.00 C ATOM 1319 NH1 ARG A 80 0.061 10.193 0.772 1.00 0.00 N ATOM 1320 NH2 ARG A 80 1.392 12.106 0.419 1.00 0.00 N ATOM 0 H ARG A 80 0.736 5.159 0.748 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.233 6.535 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.584 5.763 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.063 6.385 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.899 7.898 0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.140 8.122 -1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.371 8.878 -2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.162 8.706 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 80 2.268 10.828 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.235 9.257 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.346 10.634 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.096 12.607 -0.122 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.980 12.540 1.245 1.00 0.00 H new ATOM 1334 N VAL A 81 0.891 3.392 -1.033 1.00 0.00 N ATOM 1335 CA VAL A 81 0.685 1.968 -1.362 1.00 0.00 C ATOM 1336 C VAL A 81 -0.591 1.485 -0.641 1.00 0.00 C ATOM 1337 O VAL A 81 -0.890 1.934 0.471 1.00 0.00 O ATOM 1338 CB VAL A 81 1.923 1.055 -1.148 1.00 0.00 C ATOM 1339 CG1 VAL A 81 3.115 1.360 -2.119 1.00 0.00 C ATOM 1340 CG2 VAL A 81 2.378 1.096 0.328 1.00 0.00 C ATOM 0 H VAL A 81 1.544 3.535 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 81 0.542 1.885 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 81 1.601 0.044 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.941 0.681 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.789 1.223 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.446 2.389 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.246 0.450 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.642 2.118 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.567 0.748 0.968 1.00 0.00 H new ATOM 1350 N ARG A 82 -1.430 0.630 -1.296 1.00 0.00 N ATOM 1351 CA ARG A 82 -2.781 0.263 -0.863 1.00 0.00 C ATOM 1352 C ARG A 82 -2.919 -1.231 -0.613 1.00 0.00 C ATOM 1353 O ARG A 82 -2.363 -2.028 -1.368 1.00 0.00 O ATOM 1354 CB ARG A 82 -3.752 0.660 -2.016 1.00 0.00 C ATOM 1355 CG ARG A 82 -5.259 0.408 -1.787 1.00 0.00 C ATOM 1356 CD ARG A 82 -6.057 0.444 -3.102 1.00 0.00 C ATOM 1357 NE ARG A 82 -7.492 0.072 -2.828 1.00 0.00 N ATOM 1358 CZ ARG A 82 -7.964 -1.216 -2.839 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -7.143 -2.266 -3.132 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -9.278 -1.451 -2.552 1.00 0.00 N ATOM 0 H ARG A 82 -1.160 0.171 -2.166 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.005 0.776 0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.614 1.721 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.451 0.118 -2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.395 -0.561 -1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.652 1.161 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.006 1.439 -3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.622 -0.248 -3.823 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.151 0.823 -2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.160 -2.100 -3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.512 -3.217 -3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.899 -0.672 -2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.639 -2.405 -2.558 1.00 0.00 H new ATOM 1374 N THR A 83 -3.687 -1.632 0.454 1.00 0.00 N ATOM 1375 CA THR A 83 -3.986 -3.010 0.859 1.00 0.00 C ATOM 1376 C THR A 83 -5.119 -3.633 0.055 1.00 0.00 C ATOM 1377 O THR A 83 -6.281 -3.234 0.145 1.00 0.00 O ATOM 1378 CB THR A 83 -4.287 -3.200 2.352 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.315 -1.962 3.049 1.00 0.00 O ATOM 1380 CG2 THR A 83 -3.161 -4.037 2.966 1.00 0.00 C ATOM 0 H THR A 83 -4.127 -0.951 1.073 1.00 0.00 H new ATOM 0 HA THR A 83 -3.050 -3.526 0.645 1.00 0.00 H new ATOM 0 HB THR A 83 -5.262 -3.680 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.511 -2.124 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.355 -4.184 4.028 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.114 -5.005 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.211 -3.518 2.839 1.00 0.00 H new ATOM 1388 N GLU A 84 -4.780 -4.670 -0.738 1.00 0.00 N ATOM 1389 CA GLU A 84 -5.695 -5.411 -1.572 1.00 0.00 C ATOM 1390 C GLU A 84 -5.761 -6.826 -1.030 1.00 0.00 C ATOM 1391 O GLU A 84 -4.760 -7.344 -0.536 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.138 -5.374 -3.025 1.00 0.00 C ATOM 1393 CG GLU A 84 -5.989 -6.127 -4.066 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.450 -5.828 -5.463 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -5.562 -4.649 -5.896 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -4.925 -6.769 -6.117 1.00 0.00 O ATOM 0 H GLU A 84 -3.821 -5.012 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.701 -4.991 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.046 -4.334 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.133 -5.797 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.958 -7.199 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.032 -5.820 -3.992 1.00 0.00 H new ATOM 1403 N THR A 85 -6.935 -7.512 -1.118 1.00 0.00 N ATOM 1404 CA THR A 85 -7.073 -8.922 -0.763 1.00 0.00 C ATOM 1405 C THR A 85 -6.880 -9.691 -2.073 1.00 0.00 C ATOM 1406 O THR A 85 -7.685 -9.607 -3.001 1.00 0.00 O ATOM 1407 CB THR A 85 -8.408 -9.209 -0.089 1.00 0.00 C ATOM 1408 OG1 THR A 85 -8.646 -8.261 0.945 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.405 -10.609 0.548 1.00 0.00 C ATOM 0 H THR A 85 -7.804 -7.086 -1.440 1.00 0.00 H new ATOM 0 HA THR A 85 -6.334 -9.231 -0.024 1.00 0.00 H new ATOM 0 HB THR A 85 -9.185 -9.148 -0.851 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.507 -8.452 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.368 -10.794 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.231 -11.359 -0.223 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.614 -10.667 1.295 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.749 -10.421 -2.207 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.341 -11.028 -3.457 1.00 0.00 C ATOM 1419 C ARG A 86 -4.854 -12.419 -3.148 1.00 0.00 C ATOM 1420 O ARG A 86 -4.246 -12.627 -2.102 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.203 -10.147 -4.049 1.00 0.00 C ATOM 1422 CG ARG A 86 -3.588 -10.618 -5.379 1.00 0.00 C ATOM 1423 CD ARG A 86 -4.588 -10.623 -6.544 1.00 0.00 C ATOM 1424 NE ARG A 86 -3.866 -11.083 -7.781 1.00 0.00 N ATOM 1425 CZ ARG A 86 -4.495 -11.277 -8.982 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -5.837 -11.065 -9.112 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -3.767 -11.686 -10.062 1.00 0.00 N ATOM 0 H ARG A 86 -5.103 -10.596 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.154 -11.093 -4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.592 -9.139 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.405 -10.079 -3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.749 -9.970 -5.633 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.187 -11.623 -5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.425 -11.286 -6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.002 -9.626 -6.694 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.863 -11.258 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.385 -10.758 -8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.292 -11.214 -10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.764 -11.844 -9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.227 -11.833 -10.961 1.00 0.00 H new ATOM 1441 N ARG A 87 -5.109 -13.409 -4.050 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.728 -14.813 -3.910 1.00 0.00 C ATOM 1443 C ARG A 87 -3.302 -15.103 -4.396 1.00 0.00 C ATOM 1444 O ARG A 87 -2.976 -14.831 -5.546 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.728 -15.729 -4.666 1.00 0.00 C ATOM 1446 CG ARG A 87 -5.682 -17.208 -4.227 1.00 0.00 C ATOM 1447 CD ARG A 87 -6.485 -18.155 -5.127 1.00 0.00 C ATOM 1448 NE ARG A 87 -5.770 -18.261 -6.449 1.00 0.00 N ATOM 1449 CZ ARG A 87 -5.949 -19.299 -7.325 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -6.822 -20.309 -7.047 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -5.238 -19.320 -8.491 1.00 0.00 N ATOM 0 H ARG A 87 -5.605 -13.226 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.757 -15.029 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.738 -15.348 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.521 -15.671 -5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.643 -17.537 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.061 -17.285 -3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.575 -19.137 -4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.497 -17.777 -5.271 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.118 -17.520 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.353 -20.299 -6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.944 -21.075 -7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.582 -18.568 -8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.363 -20.088 -9.151 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.414 -15.665 -3.536 1.00 0.00 N ATOM 1466 CA ILE A 88 -1.025 -15.994 -3.858 1.00 0.00 C ATOM 1467 C ILE A 88 -0.747 -17.383 -3.323 1.00 0.00 C ATOM 1468 O ILE A 88 -0.943 -17.649 -2.141 1.00 0.00 O ATOM 1469 CB ILE A 88 0.020 -14.977 -3.360 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.240 -14.401 -1.934 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.107 -13.881 -4.441 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -1.054 -13.099 -1.896 1.00 0.00 C ATOM 0 H ILE A 88 -2.664 -15.903 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.919 -15.955 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 88 0.975 -15.486 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.762 -15.155 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.720 -14.225 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.837 -13.129 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.415 -14.327 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.869 -13.411 -4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.181 -12.779 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.527 -12.324 -2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.032 -13.268 -2.346 1.00 0.00 H new ATOM 1484 N GLY A 89 -0.340 -18.344 -4.214 1.00 0.00 N ATOM 1485 CA GLY A 89 -0.065 -19.780 -3.869 1.00 0.00 C ATOM 1486 C GLY A 89 -1.280 -20.563 -3.412 1.00 0.00 C ATOM 1487 O GLY A 89 -1.174 -21.551 -2.697 1.00 0.00 O ATOM 0 H GLY A 89 -0.192 -18.140 -5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.362 -20.274 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.689 -19.813 -3.083 1.00 0.00 H new ATOM 1491 N GLY A 90 -2.480 -20.068 -3.798 1.00 0.00 N ATOM 1492 CA GLY A 90 -3.788 -20.586 -3.369 1.00 0.00 C ATOM 1493 C GLY A 90 -4.367 -19.929 -2.128 1.00 0.00 C ATOM 1494 O GLY A 90 -5.415 -20.369 -1.667 1.00 0.00 O ATOM 0 H GLY A 90 -2.560 -19.275 -4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.496 -20.465 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.695 -21.656 -3.184 1.00 0.00 H new ATOM 1498 N ALA A 91 -3.739 -18.876 -1.524 1.00 0.00 N ATOM 1499 CA ALA A 91 -4.243 -18.276 -0.300 1.00 0.00 C ATOM 1500 C ALA A 91 -4.356 -16.766 -0.475 1.00 0.00 C ATOM 1501 O ALA A 91 -3.471 -16.131 -1.043 1.00 0.00 O ATOM 1502 CB ALA A 91 -3.294 -18.635 0.858 1.00 0.00 C ATOM 0 H ALA A 91 -2.887 -18.443 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.237 -18.661 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.663 -18.190 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.250 -19.718 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.297 -18.251 0.643 1.00 0.00 H new ATOM 1508 N ASP A 92 -5.471 -16.146 -0.003 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.776 -14.722 -0.099 1.00 0.00 C ATOM 1510 C ASP A 92 -5.409 -13.953 1.176 1.00 0.00 C ATOM 1511 O ASP A 92 -5.886 -14.266 2.265 1.00 0.00 O ATOM 1512 CB ASP A 92 -7.244 -14.455 -0.569 1.00 0.00 C ATOM 1513 CG ASP A 92 -8.332 -15.012 0.365 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -8.448 -16.262 0.474 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -9.066 -14.185 0.968 1.00 0.00 O ATOM 0 H ASP A 92 -6.207 -16.665 0.475 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.132 -14.323 -0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.388 -13.379 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.378 -14.890 -1.560 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.532 -12.925 1.078 1.00 0.00 N ATOM 1521 CA PHE A 93 -4.059 -12.137 2.203 1.00 0.00 C ATOM 1522 C PHE A 93 -4.235 -10.690 1.815 1.00 0.00 C ATOM 1523 O PHE A 93 -4.493 -10.376 0.652 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.533 -12.360 2.498 1.00 0.00 C ATOM 1525 CG PHE A 93 -2.230 -13.828 2.711 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -2.810 -14.543 3.745 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.382 -14.499 1.844 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -2.583 -15.903 3.877 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -1.156 -15.853 1.966 1.00 0.00 C ATOM 1530 CZ PHE A 93 -1.760 -16.560 2.982 1.00 0.00 C ATOM 0 H PHE A 93 -4.135 -12.627 0.187 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.618 -12.427 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.939 -11.979 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.243 -11.793 3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.446 -14.035 4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.888 -13.949 1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.050 -16.451 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.507 -16.359 1.267 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.591 -17.622 3.079 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.994 -9.771 2.790 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.922 -8.329 2.609 1.00 0.00 C ATOM 1542 C LEU A 94 -2.469 -8.041 2.250 1.00 0.00 C ATOM 1543 O LEU A 94 -1.555 -8.264 3.034 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.422 -7.574 3.864 1.00 0.00 C ATOM 1545 CG LEU A 94 -5.942 -7.303 3.768 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.559 -7.274 5.174 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.346 -6.006 3.038 1.00 0.00 C ATOM 0 H LEU A 94 -3.840 -10.047 3.760 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.580 -7.973 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.208 -8.161 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.885 -6.631 3.966 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.325 -8.125 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.629 -7.083 5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.396 -8.235 5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.090 -6.484 5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.432 -5.917 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.915 -5.148 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.976 -6.035 2.013 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.236 -7.623 0.994 1.00 0.00 N ATOM 1560 CA VAL A 95 -0.920 -7.424 0.415 1.00 0.00 C ATOM 1561 C VAL A 95 -0.887 -5.944 0.074 1.00 0.00 C ATOM 1562 O VAL A 95 -1.929 -5.391 -0.290 1.00 0.00 O ATOM 1563 CB VAL A 95 -0.795 -8.403 -0.773 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -1.717 -8.054 -1.977 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.661 -8.577 -1.244 1.00 0.00 C ATOM 0 H VAL A 95 -2.991 -7.411 0.342 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.061 -7.641 1.050 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.143 -9.357 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.572 -8.787 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.758 -8.070 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.468 -7.061 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.692 -9.275 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.059 -7.613 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.265 -8.966 -0.424 1.00 0.00 H new ATOM 1575 N TRP A 96 0.279 -5.241 0.143 1.00 0.00 N ATOM 1576 CA TRP A 96 0.257 -3.786 -0.204 1.00 0.00 C ATOM 1577 C TRP A 96 0.802 -3.671 -1.648 1.00 0.00 C ATOM 1578 O TRP A 96 1.830 -4.258 -1.996 1.00 0.00 O ATOM 1579 CB TRP A 96 1.201 -2.984 0.759 1.00 0.00 C ATOM 1580 CG TRP A 96 0.540 -2.267 1.946 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.347 -1.225 1.952 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.896 -2.477 3.319 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.573 -0.777 3.240 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.186 -1.543 4.086 1.00 0.00 C ATOM 1585 CE3 TRP A 96 1.764 -3.353 3.891 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.321 -1.489 5.438 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 1.919 -3.270 5.251 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.213 -2.366 6.015 1.00 0.00 C ATOM 0 H TRP A 96 1.186 -5.621 0.415 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.752 -3.383 -0.113 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.948 -3.673 1.153 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.735 -2.240 0.168 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.809 -0.809 1.069 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.193 -0.014 3.512 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.305 -4.079 3.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.246 -0.789 6.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.617 -3.934 5.739 1.00 0.00 H new ATOM 0 HH2 TRP A 96 1.362 -2.345 7.085 1.00 0.00 H new ATOM 1599 N ARG A 97 0.127 -2.915 -2.566 1.00 0.00 N ATOM 1600 CA ARG A 97 0.595 -2.741 -3.935 1.00 0.00 C ATOM 1601 C ARG A 97 0.180 -1.329 -4.312 1.00 0.00 C ATOM 1602 O ARG A 97 -0.742 -0.759 -3.727 1.00 0.00 O ATOM 1603 CB ARG A 97 0.056 -3.814 -4.934 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.222 -3.438 -5.714 1.00 0.00 C ATOM 1605 CD ARG A 97 -1.771 -4.552 -6.612 1.00 0.00 C ATOM 1606 NE ARG A 97 -2.915 -4.022 -7.434 1.00 0.00 N ATOM 1607 CZ ARG A 97 -2.766 -3.318 -8.601 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -1.531 -3.074 -9.129 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -3.877 -2.847 -9.242 1.00 0.00 N ATOM 0 H ARG A 97 -0.743 -2.424 -2.360 1.00 0.00 H new ATOM 0 HA ARG A 97 1.674 -2.882 -3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.843 -4.038 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.139 -4.732 -4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.995 -3.149 -5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.012 -2.563 -6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.984 -4.927 -7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.106 -5.392 -6.003 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.863 -4.198 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.696 -3.418 -8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.443 -2.548 -9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.803 -3.021 -8.851 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.780 -2.322 -10.111 1.00 0.00 H new ATOM 1623 N TRP A 98 0.889 -0.694 -5.272 1.00 0.00 N ATOM 1624 CA TRP A 98 0.699 0.690 -5.732 1.00 0.00 C ATOM 1625 C TRP A 98 0.437 1.063 -7.154 1.00 0.00 C ATOM 1626 O TRP A 98 0.836 0.390 -8.090 1.00 0.00 O ATOM 1627 CB TRP A 98 1.247 1.823 -4.845 1.00 0.00 C ATOM 1628 CG TRP A 98 2.553 2.436 -5.228 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.819 3.753 -5.395 1.00 0.00 C ATOM 1630 CD2 TRP A 98 3.734 1.718 -5.576 1.00 0.00 C ATOM 1631 NE1 TRP A 98 4.046 3.911 -5.972 1.00 0.00 N ATOM 1632 CE2 TRP A 98 4.638 2.655 -6.057 1.00 0.00 C ATOM 1633 CE3 TRP A 98 4.026 0.390 -5.520 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 5.869 2.250 -6.481 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 5.237 -0.011 -6.007 1.00 0.00 C ATOM 1636 CH2 TRP A 98 6.160 0.904 -6.455 1.00 0.00 C ATOM 0 H TRP A 98 1.647 -1.162 -5.769 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.358 0.538 -5.515 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.500 2.616 -4.816 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.343 1.437 -3.830 1.00 0.00 H new ATOM 0 HD1 TRP A 98 2.158 4.559 -5.113 1.00 0.00 H new ATOM 0 HE1 TRP A 98 4.455 4.792 -6.285 1.00 0.00 H new ATOM 0 HE3 TRP A 98 3.326 -0.320 -5.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.598 2.967 -6.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 5.474 -1.064 -6.041 1.00 0.00 H new ATOM 0 HH2 TRP A 98 7.128 0.562 -6.792 1.00 0.00 H new ATOM 1647 N ILE A 99 -0.322 2.150 -7.331 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.635 2.761 -8.600 1.00 0.00 C ATOM 1649 C ILE A 99 0.211 4.026 -8.844 1.00 0.00 C ATOM 1650 O ILE A 99 0.123 4.955 -8.045 1.00 0.00 O ATOM 1651 CB ILE A 99 -2.133 3.103 -8.521 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.569 3.969 -7.276 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.843 1.735 -8.529 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.485 3.287 -6.245 1.00 0.00 C ATOM 0 H ILE A 99 -0.749 2.642 -6.546 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.411 2.094 -9.432 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.404 3.745 -9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.668 4.303 -6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.076 4.861 -7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.921 1.884 -8.475 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.596 1.202 -9.447 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.514 1.150 -7.670 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.711 3.987 -5.440 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.412 2.979 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.982 2.412 -5.834 1.00 0.00 H new ATOM 1666 N GLN A 100 1.036 4.149 -9.942 1.00 0.00 N ATOM 1667 CA GLN A 100 1.653 5.448 -10.305 1.00 0.00 C ATOM 1668 C GLN A 100 0.775 6.071 -11.395 1.00 0.00 C ATOM 1669 O GLN A 100 0.820 5.565 -12.515 1.00 0.00 O ATOM 1670 CB GLN A 100 3.175 5.528 -10.708 1.00 0.00 C ATOM 1671 CG GLN A 100 3.632 6.992 -10.913 1.00 0.00 C ATOM 1672 CD GLN A 100 3.853 7.362 -12.395 1.00 0.00 C ATOM 1673 OE1 GLN A 100 4.511 6.638 -13.148 1.00 0.00 O ATOM 1674 NE2 GLN A 100 3.349 8.532 -12.856 1.00 0.00 N ATOM 0 H GLN A 100 1.275 3.378 -10.566 1.00 0.00 H new ATOM 0 HA GLN A 100 1.684 5.994 -9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.783 5.061 -9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.340 4.963 -11.625 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.885 7.661 -10.486 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.559 7.156 -10.363 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.805 9.132 -12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.514 8.813 -13.823 1.00 0.00 H new