USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 HIS : no HE2:sc= -2.99 K(o=-8.3,f=-9.7!) USER MOD Set 1.2: A 32 ASN :FLIP amide:sc= 0.681 F(o=-9.6,f=-8.3) USER MOD Set 1.3: A 42 GLN : amide:sc= -1.51 K(o=-8.3,f=-17!) USER MOD Set 1.4: A 45 MET CE :methyl -171:sc= -1.1 (180deg=-0.0521) USER MOD Set 1.5: A 49 HIS : no HD1:sc= -3.4! K(o=-8.3!,f=-9.7) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 139:sc= -0.587 (180deg=-3.33) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 0.77 (180deg=0.764) USER MOD Single : A 30 SER OG : rot 104:sc= 1.23 USER MOD Single : A 35 CYS SG : rot 170:sc= 0.119 USER MOD Single : A 36 GLN : amide:sc= 0.68 K(o=0.68,f=-0.079) USER MOD Single : A 38 ASN : amide:sc= 0.171 X(o=0.17,f=0) 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 53 SER OG : rot 103:sc= 1.2 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= -0.0755 (180deg=-0.0922) USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= -1.49 (180deg=-2.81!) USER MOD Single : A 63 MET CE :methyl 171:sc= -2.48 (180deg=-3.14) USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -0.239 (180deg=-0.63) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc=-0.00588 X(o=-0.0059,f=-0.0059) USER MOD Single : A 79 SER OG : rot -61:sc= 1.14 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0651 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0305 USER MOD Single : A 100 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 5.000 10.345 14.533 1.00 0.00 N ATOM 285 CA TYR A 18 6.381 10.789 14.369 1.00 0.00 C ATOM 286 C TYR A 18 7.540 9.965 14.951 1.00 0.00 C ATOM 287 O TYR A 18 8.694 10.220 14.629 1.00 0.00 O ATOM 288 CB TYR A 18 6.498 12.306 14.708 1.00 0.00 C ATOM 289 CG TYR A 18 5.495 13.074 13.853 1.00 0.00 C ATOM 290 CD1 TYR A 18 5.796 13.349 12.525 1.00 0.00 C ATOM 291 CD2 TYR A 18 4.233 13.434 14.319 1.00 0.00 C ATOM 292 CE1 TYR A 18 4.863 13.930 11.685 1.00 0.00 C ATOM 293 CE2 TYR A 18 3.297 14.006 13.473 1.00 0.00 C ATOM 294 CZ TYR A 18 3.607 14.247 12.153 1.00 0.00 C ATOM 295 OH TYR A 18 2.640 14.793 11.279 1.00 0.00 O ATOM 0 HA TYR A 18 6.555 10.591 13.311 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.299 12.474 15.767 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.510 12.660 14.514 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.776 13.105 12.142 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.980 13.265 15.355 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.121 14.136 10.657 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.319 14.264 13.851 1.00 0.00 H new ATOM 0 HH TYR A 18 1.809 14.957 11.772 1.00 0.00 H new ATOM 305 N ASP A 19 7.273 8.992 15.867 1.00 0.00 N ATOM 306 CA ASP A 19 8.245 8.022 16.387 1.00 0.00 C ATOM 307 C ASP A 19 8.378 6.817 15.417 1.00 0.00 C ATOM 308 O ASP A 19 9.069 6.900 14.402 1.00 0.00 O ATOM 309 CB ASP A 19 7.865 7.589 17.841 1.00 0.00 C ATOM 310 CG ASP A 19 8.972 6.798 18.555 1.00 0.00 C ATOM 311 OD1 ASP A 19 10.091 7.353 18.709 1.00 0.00 O ATOM 312 OD2 ASP A 19 8.706 5.632 18.952 1.00 0.00 O ATOM 0 H ASP A 19 6.343 8.868 16.268 1.00 0.00 H new ATOM 0 HA ASP A 19 9.227 8.492 16.446 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.630 8.478 18.426 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.961 6.982 17.806 1.00 0.00 H new ATOM 317 N MET A 20 7.697 5.655 15.679 1.00 0.00 N ATOM 318 CA MET A 20 7.705 4.406 14.889 1.00 0.00 C ATOM 319 C MET A 20 7.288 4.449 13.441 1.00 0.00 C ATOM 320 O MET A 20 7.717 3.627 12.641 1.00 0.00 O ATOM 321 CB MET A 20 7.208 3.107 15.611 1.00 0.00 C ATOM 322 CG MET A 20 8.329 2.258 16.230 1.00 0.00 C ATOM 323 SD MET A 20 9.802 2.082 15.204 1.00 0.00 S ATOM 324 CE MET A 20 9.064 1.089 13.888 1.00 0.00 C ATOM 0 H MET A 20 7.096 5.575 16.499 1.00 0.00 H new ATOM 0 HA MET A 20 8.790 4.325 14.826 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.506 3.388 16.396 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.658 2.496 14.895 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.618 2.703 17.182 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.935 1.265 16.448 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.433 1.433 12.922 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.334 0.042 14.027 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.979 1.192 13.920 1.00 0.00 H new ATOM 334 N VAL A 21 6.464 5.428 13.025 1.00 0.00 N ATOM 335 CA VAL A 21 6.195 5.651 11.588 1.00 0.00 C ATOM 336 C VAL A 21 7.351 6.322 10.846 1.00 0.00 C ATOM 337 O VAL A 21 7.550 6.014 9.672 1.00 0.00 O ATOM 338 CB VAL A 21 4.920 6.484 11.419 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.687 6.992 9.976 1.00 0.00 C ATOM 340 CG2 VAL A 21 3.688 5.785 12.047 1.00 0.00 C ATOM 0 H VAL A 21 5.978 6.070 13.651 1.00 0.00 H new ATOM 0 HA VAL A 21 6.069 4.664 11.142 1.00 0.00 H new ATOM 0 HB VAL A 21 5.076 7.399 11.991 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.765 7.573 9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.524 7.620 9.672 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.607 6.141 9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.805 6.408 11.906 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.532 4.820 11.565 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.859 5.635 13.113 1.00 0.00 H new ATOM 350 N VAL A 22 8.129 7.259 11.476 1.00 0.00 N ATOM 351 CA VAL A 22 9.153 8.097 10.821 1.00 0.00 C ATOM 352 C VAL A 22 10.242 7.416 9.986 1.00 0.00 C ATOM 353 O VAL A 22 10.571 7.927 8.925 1.00 0.00 O ATOM 354 CB VAL A 22 9.645 9.247 11.708 1.00 0.00 C ATOM 355 CG1 VAL A 22 10.915 8.928 12.526 1.00 0.00 C ATOM 356 CG2 VAL A 22 9.805 10.552 10.896 1.00 0.00 C ATOM 0 H VAL A 22 8.049 7.446 12.476 1.00 0.00 H new ATOM 0 HA VAL A 22 8.578 8.543 10.010 1.00 0.00 H new ATOM 0 HB VAL A 22 8.861 9.392 12.451 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.191 9.797 13.124 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.720 8.082 13.185 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.732 8.680 11.848 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.155 11.349 11.553 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.529 10.396 10.096 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.844 10.833 10.465 1.00 0.00 H new ATOM 366 N LYS A 23 10.769 6.212 10.385 1.00 0.00 N ATOM 367 CA LYS A 23 11.656 5.381 9.544 1.00 0.00 C ATOM 368 C LYS A 23 10.939 4.643 8.398 1.00 0.00 C ATOM 369 O LYS A 23 11.482 4.435 7.314 1.00 0.00 O ATOM 370 CB LYS A 23 12.558 4.402 10.348 1.00 0.00 C ATOM 371 CG LYS A 23 11.833 3.324 11.173 1.00 0.00 C ATOM 372 CD LYS A 23 12.007 3.528 12.680 1.00 0.00 C ATOM 373 CE LYS A 23 11.238 4.741 13.213 1.00 0.00 C ATOM 374 NZ LYS A 23 11.445 4.908 14.669 1.00 0.00 N ATOM 0 H LYS A 23 10.582 5.804 11.301 1.00 0.00 H new ATOM 0 HA LYS A 23 12.312 6.119 9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.229 3.903 9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.181 4.988 11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.771 3.336 10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.214 2.341 10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.671 2.633 13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.067 3.649 12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.565 5.640 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.175 4.621 13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.954 5.766 14.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.064 4.080 15.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.462 4.995 14.867 1.00 0.00 H new ATOM 388 N ILE A 24 9.658 4.246 8.631 1.00 0.00 N ATOM 389 CA ILE A 24 8.745 3.571 7.708 1.00 0.00 C ATOM 390 C ILE A 24 8.233 4.448 6.578 1.00 0.00 C ATOM 391 O ILE A 24 8.068 3.961 5.464 1.00 0.00 O ATOM 392 CB ILE A 24 7.708 2.692 8.400 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.386 1.301 8.656 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.362 2.591 7.610 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.659 0.512 9.750 1.00 0.00 C ATOM 0 H ILE A 24 9.219 4.408 9.538 1.00 0.00 H new ATOM 0 HA ILE A 24 9.360 2.847 7.174 1.00 0.00 H new ATOM 0 HB ILE A 24 7.408 3.139 9.348 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.391 0.723 7.732 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.426 1.450 8.945 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.667 1.952 8.155 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.930 3.585 7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.550 2.165 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.157 -0.446 9.900 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.677 1.079 10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.625 0.340 9.449 1.00 0.00 H new ATOM 407 N ILE A 25 7.978 5.778 6.755 1.00 0.00 N ATOM 408 CA ILE A 25 7.573 6.681 5.641 1.00 0.00 C ATOM 409 C ILE A 25 8.585 6.773 4.486 1.00 0.00 C ATOM 410 O ILE A 25 8.211 6.885 3.320 1.00 0.00 O ATOM 411 CB ILE A 25 6.977 8.055 6.005 1.00 0.00 C ATOM 412 CG1 ILE A 25 6.984 8.312 7.526 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.548 8.138 5.411 1.00 0.00 C ATOM 414 CD1 ILE A 25 6.098 9.480 7.958 1.00 0.00 C ATOM 0 H ILE A 25 8.047 6.245 7.659 1.00 0.00 H new ATOM 0 HA ILE A 25 6.708 6.131 5.270 1.00 0.00 H new ATOM 0 HB ILE A 25 7.598 8.841 5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.654 7.409 8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.007 8.506 7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.107 9.104 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.597 8.027 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.933 7.341 5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.155 9.599 9.040 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.440 10.395 7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.066 9.280 7.669 1.00 0.00 H new ATOM 426 N ASP A 26 9.905 6.609 4.820 1.00 0.00 N ATOM 427 CA ASP A 26 11.065 6.479 3.925 1.00 0.00 C ATOM 428 C ASP A 26 11.003 5.272 2.974 1.00 0.00 C ATOM 429 O ASP A 26 11.353 5.397 1.810 1.00 0.00 O ATOM 430 CB ASP A 26 12.425 6.465 4.675 1.00 0.00 C ATOM 431 CG ASP A 26 12.550 7.715 5.553 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.471 8.841 4.994 1.00 0.00 O ATOM 433 OD2 ASP A 26 12.729 7.557 6.789 1.00 0.00 O ATOM 0 H ASP A 26 10.188 6.563 5.799 1.00 0.00 H new ATOM 0 HA ASP A 26 11.005 7.383 3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.501 5.569 5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.245 6.430 3.958 1.00 0.00 H new ATOM 438 N VAL A 27 10.477 4.090 3.431 1.00 0.00 N ATOM 439 CA VAL A 27 10.187 2.830 2.725 1.00 0.00 C ATOM 440 C VAL A 27 9.140 3.051 1.600 1.00 0.00 C ATOM 441 O VAL A 27 9.318 2.658 0.442 1.00 0.00 O ATOM 442 CB VAL A 27 9.708 1.848 3.814 1.00 0.00 C ATOM 443 CG1 VAL A 27 9.089 0.516 3.405 1.00 0.00 C ATOM 444 CG2 VAL A 27 10.819 1.473 4.815 1.00 0.00 C ATOM 0 H VAL A 27 10.223 4.005 4.415 1.00 0.00 H new ATOM 0 HA VAL A 27 11.062 2.429 2.214 1.00 0.00 H new ATOM 0 HB VAL A 27 8.909 2.462 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.811 -0.045 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.201 0.698 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.812 -0.058 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.422 0.780 5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.644 1.001 4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.177 2.373 5.315 1.00 0.00 H new ATOM 454 N LEU A 28 8.021 3.760 1.931 1.00 0.00 N ATOM 455 CA LEU A 28 6.970 4.194 0.999 1.00 0.00 C ATOM 456 C LEU A 28 7.298 5.340 0.007 1.00 0.00 C ATOM 457 O LEU A 28 7.170 5.155 -1.205 1.00 0.00 O ATOM 458 CB LEU A 28 5.666 4.510 1.794 1.00 0.00 C ATOM 459 CG LEU A 28 4.930 3.291 2.417 1.00 0.00 C ATOM 460 CD1 LEU A 28 4.633 2.221 1.364 1.00 0.00 C ATOM 461 CD2 LEU A 28 5.643 2.628 3.605 1.00 0.00 C ATOM 0 H LEU A 28 7.832 4.048 2.891 1.00 0.00 H new ATOM 0 HA LEU A 28 6.851 3.340 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.913 5.207 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.974 5.024 1.127 1.00 0.00 H new ATOM 0 HG LEU A 28 4.008 3.721 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.118 1.382 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.001 2.644 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.568 1.873 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.047 1.789 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.621 2.268 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.767 3.356 4.407 1.00 0.00 H new ATOM 473 N ARG A 29 7.811 6.527 0.452 1.00 0.00 N ATOM 474 CA ARG A 29 8.269 7.673 -0.385 1.00 0.00 C ATOM 475 C ARG A 29 9.402 7.401 -1.380 1.00 0.00 C ATOM 476 O ARG A 29 9.569 8.127 -2.353 1.00 0.00 O ATOM 477 CB ARG A 29 8.519 8.979 0.417 1.00 0.00 C ATOM 478 CG ARG A 29 9.784 8.994 1.296 1.00 0.00 C ATOM 479 CD ARG A 29 9.938 10.255 2.162 1.00 0.00 C ATOM 480 NE ARG A 29 8.765 10.361 3.101 1.00 0.00 N ATOM 481 CZ ARG A 29 8.579 11.427 3.941 1.00 0.00 C ATOM 482 NH1 ARG A 29 9.501 12.429 4.013 1.00 0.00 N ATOM 483 NH2 ARG A 29 7.454 11.488 4.713 1.00 0.00 N ATOM 0 H ARG A 29 7.920 6.716 1.448 1.00 0.00 H new ATOM 0 HA ARG A 29 7.394 7.828 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.578 9.809 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.654 9.163 1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.770 8.120 1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.660 8.899 0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.868 10.210 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.993 11.140 1.529 1.00 0.00 H new ATOM 0 HE ARG A 29 8.079 9.606 3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.342 12.391 3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.350 13.217 4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.759 10.743 4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.309 12.279 5.341 1.00 0.00 H new ATOM 497 N SER A 30 10.256 6.382 -1.075 1.00 0.00 N ATOM 498 CA SER A 30 11.492 5.971 -1.770 1.00 0.00 C ATOM 499 C SER A 30 11.213 5.307 -3.081 1.00 0.00 C ATOM 500 O SER A 30 11.775 5.707 -4.094 1.00 0.00 O ATOM 501 CB SER A 30 12.435 4.994 -1.006 1.00 0.00 C ATOM 502 OG SER A 30 13.129 5.674 0.036 1.00 0.00 O ATOM 0 H SER A 30 10.074 5.784 -0.269 1.00 0.00 H new ATOM 0 HA SER A 30 11.999 6.931 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.853 4.173 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.151 4.555 -1.700 1.00 0.00 H new ATOM 0 HG SER A 30 12.723 5.450 0.900 1.00 0.00 H new ATOM 508 N HIS A 31 10.294 4.286 -3.124 1.00 0.00 N ATOM 509 CA HIS A 31 9.878 3.625 -4.352 1.00 0.00 C ATOM 510 C HIS A 31 9.067 4.564 -5.256 1.00 0.00 C ATOM 511 O HIS A 31 9.206 4.540 -6.465 1.00 0.00 O ATOM 512 CB HIS A 31 9.171 2.273 -4.059 1.00 0.00 C ATOM 513 CG HIS A 31 7.848 2.333 -3.356 1.00 0.00 C ATOM 514 ND1 HIS A 31 7.656 2.201 -1.994 1.00 0.00 N ATOM 515 CD2 HIS A 31 6.607 2.413 -3.905 1.00 0.00 C ATOM 516 CE1 HIS A 31 6.314 2.195 -1.797 1.00 0.00 C ATOM 517 NE2 HIS A 31 5.642 2.327 -2.924 1.00 0.00 N ATOM 0 H HIS A 31 9.836 3.918 -2.290 1.00 0.00 H new ATOM 0 HA HIS A 31 10.773 3.374 -4.921 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.027 1.754 -5.007 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.845 1.661 -3.460 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.379 2.124 -1.279 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.406 2.528 -4.960 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.849 2.094 -0.828 1.00 0.00 H new ATOM 525 N ASN A 32 8.290 5.494 -4.645 1.00 0.00 N ATOM 526 CA ASN A 32 7.493 6.584 -5.199 1.00 0.00 C ATOM 527 C ASN A 32 8.141 7.628 -6.104 1.00 0.00 C ATOM 528 O ASN A 32 7.491 8.147 -7.008 1.00 0.00 O ATOM 529 CB ASN A 32 6.535 7.179 -4.140 1.00 0.00 C ATOM 530 CG ASN A 32 5.386 6.180 -4.127 1.00 0.00 C ATOM 531 OD1 ASN A 32 5.392 5.193 -3.212 1.00 0.00 O flip ATOM 532 ND2 ASN A 32 4.562 6.239 -5.046 1.00 0.00 N flip ATOM 0 H ASN A 32 8.208 5.483 -3.628 1.00 0.00 H new ATOM 0 HA ASN A 32 6.921 6.060 -5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.012 7.260 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.199 8.179 -4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.599 7.008 -5.715 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.845 5.519 -5.135 1.00 0.00 H new ATOM 539 N GLU A 33 9.452 7.950 -5.938 1.00 0.00 N ATOM 540 CA GLU A 33 10.229 8.843 -6.814 1.00 0.00 C ATOM 541 C GLU A 33 10.461 8.241 -8.213 1.00 0.00 C ATOM 542 O GLU A 33 10.270 8.855 -9.259 1.00 0.00 O ATOM 543 CB GLU A 33 11.579 9.211 -6.161 1.00 0.00 C ATOM 544 CG GLU A 33 11.428 9.906 -4.794 1.00 0.00 C ATOM 545 CD GLU A 33 10.524 11.135 -4.879 1.00 0.00 C ATOM 546 OE1 GLU A 33 10.877 12.082 -5.635 1.00 0.00 O ATOM 547 OE2 GLU A 33 9.470 11.145 -4.190 1.00 0.00 O ATOM 0 H GLU A 33 10.006 7.580 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 33 9.636 9.748 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.173 8.305 -6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.133 9.865 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.016 9.201 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.410 10.202 -4.426 1.00 0.00 H new ATOM 554 N ALA A 34 10.837 6.947 -8.231 1.00 0.00 N ATOM 555 CA ALA A 34 10.860 6.060 -9.377 1.00 0.00 C ATOM 556 C ALA A 34 9.479 5.574 -9.850 1.00 0.00 C ATOM 557 O ALA A 34 9.297 5.195 -11.008 1.00 0.00 O ATOM 558 CB ALA A 34 11.871 4.948 -9.099 1.00 0.00 C ATOM 0 H ALA A 34 11.151 6.477 -7.382 1.00 0.00 H new ATOM 0 HA ALA A 34 11.190 6.625 -10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.906 4.267 -9.949 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.858 5.384 -8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.572 4.399 -8.206 1.00 0.00 H new ATOM 564 N CYS A 35 8.455 5.502 -8.933 1.00 0.00 N ATOM 565 CA CYS A 35 7.066 5.067 -9.170 1.00 0.00 C ATOM 566 C CYS A 35 6.250 6.062 -9.956 1.00 0.00 C ATOM 567 O CYS A 35 5.431 5.648 -10.766 1.00 0.00 O ATOM 568 CB CYS A 35 6.282 4.510 -7.946 1.00 0.00 C ATOM 569 SG CYS A 35 5.139 3.165 -8.383 1.00 0.00 S ATOM 0 H CYS A 35 8.605 5.765 -7.959 1.00 0.00 H new ATOM 0 HA CYS A 35 7.218 4.188 -9.797 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.991 4.148 -7.202 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.720 5.321 -7.483 1.00 0.00 H new ATOM 0 HG CYS A 35 4.685 2.612 -7.298 1.00 0.00 H new ATOM 575 N GLN A 36 6.524 7.401 -9.831 1.00 0.00 N ATOM 576 CA GLN A 36 6.009 8.545 -10.623 1.00 0.00 C ATOM 577 C GLN A 36 6.289 8.467 -12.117 1.00 0.00 C ATOM 578 O GLN A 36 5.876 9.324 -12.883 1.00 0.00 O ATOM 579 CB GLN A 36 6.155 9.974 -10.015 1.00 0.00 C ATOM 580 CG GLN A 36 7.580 10.527 -9.862 1.00 0.00 C ATOM 581 CD GLN A 36 8.216 11.001 -11.172 1.00 0.00 C ATOM 582 OE1 GLN A 36 7.770 11.948 -11.833 1.00 0.00 O ATOM 583 NE2 GLN A 36 9.324 10.294 -11.528 1.00 0.00 N ATOM 0 H GLN A 36 7.167 7.723 -9.108 1.00 0.00 H new ATOM 0 HA GLN A 36 4.936 8.384 -10.523 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.589 10.666 -10.638 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.685 9.973 -9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.560 11.360 -9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.212 9.755 -9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.646 9.522 -10.944 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.832 10.536 -12.379 1.00 0.00 H new ATOM 592 N GLU A 37 7.140 7.482 -12.474 1.00 0.00 N ATOM 593 CA GLU A 37 7.769 7.240 -13.764 1.00 0.00 C ATOM 594 C GLU A 37 7.460 5.851 -14.264 1.00 0.00 C ATOM 595 O GLU A 37 7.170 5.652 -15.439 1.00 0.00 O ATOM 596 CB GLU A 37 9.304 7.410 -13.574 1.00 0.00 C ATOM 597 CG GLU A 37 10.276 6.824 -14.624 1.00 0.00 C ATOM 598 CD GLU A 37 10.488 7.804 -15.773 1.00 0.00 C ATOM 599 OE1 GLU A 37 11.026 8.914 -15.515 1.00 0.00 O ATOM 600 OE2 GLU A 37 10.116 7.457 -16.926 1.00 0.00 O ATOM 0 H GLU A 37 7.422 6.777 -11.793 1.00 0.00 H new ATOM 0 HA GLU A 37 7.388 7.945 -14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.507 8.479 -13.503 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.563 6.972 -12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.232 6.596 -14.153 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.879 5.885 -15.010 1.00 0.00 H new ATOM 607 N ASN A 38 7.582 4.848 -13.374 1.00 0.00 N ATOM 608 CA ASN A 38 7.382 3.433 -13.645 1.00 0.00 C ATOM 609 C ASN A 38 6.171 3.034 -12.809 1.00 0.00 C ATOM 610 O ASN A 38 6.221 2.896 -11.589 1.00 0.00 O ATOM 611 CB ASN A 38 8.609 2.595 -13.239 1.00 0.00 C ATOM 612 CG ASN A 38 9.893 2.915 -14.011 1.00 0.00 C ATOM 613 OD1 ASN A 38 10.152 2.418 -15.107 1.00 0.00 O ATOM 614 ND2 ASN A 38 10.772 3.709 -13.344 1.00 0.00 N ATOM 0 H ASN A 38 7.836 5.023 -12.402 1.00 0.00 H new ATOM 0 HA ASN A 38 7.233 3.255 -14.710 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.796 2.743 -12.175 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.372 1.540 -13.378 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.685 3.912 -13.750 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.518 4.101 -12.437 1.00 0.00 H new ATOM 621 N LYS A 39 5.040 2.876 -13.532 1.00 0.00 N ATOM 622 CA LYS A 39 3.604 2.775 -13.208 1.00 0.00 C ATOM 623 C LYS A 39 3.168 2.229 -11.867 1.00 0.00 C ATOM 624 O LYS A 39 2.360 2.790 -11.138 1.00 0.00 O ATOM 625 CB LYS A 39 2.897 2.040 -14.406 1.00 0.00 C ATOM 626 CG LYS A 39 1.605 1.201 -14.196 1.00 0.00 C ATOM 627 CD LYS A 39 1.919 -0.259 -13.798 1.00 0.00 C ATOM 628 CE LYS A 39 1.841 -1.234 -14.980 1.00 0.00 C ATOM 629 NZ LYS A 39 2.969 -1.051 -15.923 1.00 0.00 N ATOM 0 H LYS A 39 5.142 2.804 -14.544 1.00 0.00 H new ATOM 0 HA LYS A 39 3.284 3.809 -13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.663 2.801 -15.151 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.637 1.375 -14.851 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.994 1.664 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.016 1.208 -15.113 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.917 -0.304 -13.363 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.219 -0.577 -13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.843 -2.258 -14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.899 -1.089 -15.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.879 -1.728 -16.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.953 -0.082 -16.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.867 -1.214 -15.425 1.00 0.00 H new ATOM 643 N ASP A 40 3.711 1.081 -11.536 1.00 0.00 N ATOM 644 CA ASP A 40 3.600 0.449 -10.261 1.00 0.00 C ATOM 645 C ASP A 40 4.912 -0.312 -10.268 1.00 0.00 C ATOM 646 O ASP A 40 4.911 -1.504 -10.553 1.00 0.00 O ATOM 647 CB ASP A 40 2.389 -0.561 -10.026 1.00 0.00 C ATOM 648 CG ASP A 40 0.917 -0.234 -10.362 1.00 0.00 C ATOM 649 OD1 ASP A 40 0.594 0.762 -11.047 1.00 0.00 O ATOM 650 OD2 ASP A 40 0.082 -1.091 -9.958 1.00 0.00 O ATOM 0 H ASP A 40 4.272 0.540 -12.194 1.00 0.00 H new ATOM 0 HA ASP A 40 3.408 1.177 -9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.635 -1.466 -10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.410 -0.821 -8.968 1.00 0.00 H new ATOM 655 N LEU A 41 6.090 0.279 -9.897 1.00 0.00 N ATOM 656 CA LEU A 41 7.339 -0.514 -9.737 1.00 0.00 C ATOM 657 C LEU A 41 7.354 -1.411 -8.475 1.00 0.00 C ATOM 658 O LEU A 41 8.077 -2.397 -8.361 1.00 0.00 O ATOM 659 CB LEU A 41 8.616 0.312 -9.906 1.00 0.00 C ATOM 660 CG LEU A 41 9.049 1.063 -8.646 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.184 0.350 -7.918 1.00 0.00 C ATOM 662 CD2 LEU A 41 9.512 2.418 -9.081 1.00 0.00 C ATOM 0 H LEU A 41 6.195 1.276 -9.709 1.00 0.00 H new ATOM 0 HA LEU A 41 7.332 -1.208 -10.577 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.425 -0.350 -10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.466 1.032 -10.711 1.00 0.00 H new ATOM 0 HG LEU A 41 8.210 1.121 -7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.460 0.918 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.858 -0.648 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.047 0.270 -8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.831 2.990 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.348 2.312 -9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.694 2.940 -9.578 1.00 0.00 H new ATOM 674 N GLN A 42 6.418 -1.079 -7.564 1.00 0.00 N ATOM 675 CA GLN A 42 5.856 -1.607 -6.368 1.00 0.00 C ATOM 676 C GLN A 42 4.566 -2.394 -6.661 1.00 0.00 C ATOM 677 O GLN A 42 3.659 -2.198 -5.851 1.00 0.00 O ATOM 678 CB GLN A 42 5.641 -0.461 -5.352 1.00 0.00 C ATOM 679 CG GLN A 42 5.842 -0.927 -3.903 1.00 0.00 C ATOM 680 CD GLN A 42 4.612 -0.976 -2.994 1.00 0.00 C ATOM 681 OE1 GLN A 42 4.500 -0.196 -2.052 1.00 0.00 O ATOM 682 NE2 GLN A 42 3.721 -1.974 -3.195 1.00 0.00 N ATOM 0 H GLN A 42 5.940 -0.195 -7.737 1.00 0.00 H new ATOM 0 HA GLN A 42 6.549 -2.322 -5.923 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.334 0.351 -5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.634 -0.060 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.279 -1.925 -3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.576 -0.269 -3.438 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.836 -2.609 -3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.934 -2.091 -2.557 1.00 0.00 H new ATOM 691 N PRO A 43 4.281 -3.210 -7.757 1.00 0.00 N ATOM 692 CA PRO A 43 2.950 -3.719 -8.177 1.00 0.00 C ATOM 693 C PRO A 43 2.210 -4.476 -7.054 1.00 0.00 C ATOM 694 O PRO A 43 0.988 -4.483 -7.079 1.00 0.00 O ATOM 695 CB PRO A 43 3.263 -4.649 -9.367 1.00 0.00 C ATOM 696 CG PRO A 43 4.664 -5.177 -9.078 1.00 0.00 C ATOM 697 CD PRO A 43 5.326 -3.927 -8.503 1.00 0.00 C ATOM 0 HA PRO A 43 2.276 -2.902 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.539 -5.461 -9.438 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.229 -4.109 -10.313 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.656 -6.004 -8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.165 -5.534 -9.978 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.157 -4.193 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.733 -3.303 -9.298 1.00 0.00 H new ATOM 705 N TYR A 44 2.969 -5.050 -6.075 1.00 0.00 N ATOM 706 CA TYR A 44 2.600 -5.683 -4.828 1.00 0.00 C ATOM 707 C TYR A 44 3.891 -5.758 -3.973 1.00 0.00 C ATOM 708 O TYR A 44 4.978 -5.965 -4.514 1.00 0.00 O ATOM 709 CB TYR A 44 2.138 -7.177 -5.000 1.00 0.00 C ATOM 710 CG TYR A 44 0.784 -7.394 -5.678 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.395 -7.335 -4.940 1.00 0.00 C ATOM 712 CD2 TYR A 44 0.677 -7.771 -7.018 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.601 -7.757 -5.474 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.538 -8.157 -7.556 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.670 -8.192 -6.778 1.00 0.00 C ATOM 716 OH TYR A 44 -2.872 -8.682 -7.333 1.00 0.00 O ATOM 0 H TYR A 44 3.983 -5.067 -6.184 1.00 0.00 H new ATOM 0 HA TYR A 44 1.782 -5.106 -4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.898 -7.706 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.105 -7.641 -4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.369 -6.952 -3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.557 -7.761 -7.645 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.492 -7.745 -4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.597 -8.434 -8.598 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.720 -8.940 -8.266 1.00 0.00 H new ATOM 726 N MET A 45 3.760 -5.654 -2.622 1.00 0.00 N ATOM 727 CA MET A 45 4.771 -5.874 -1.569 1.00 0.00 C ATOM 728 C MET A 45 4.011 -6.465 -0.351 1.00 0.00 C ATOM 729 O MET A 45 2.830 -6.144 -0.210 1.00 0.00 O ATOM 730 CB MET A 45 5.532 -4.583 -1.101 1.00 0.00 C ATOM 731 CG MET A 45 6.702 -4.104 -1.990 1.00 0.00 C ATOM 732 SD MET A 45 7.413 -2.466 -1.593 1.00 0.00 S ATOM 733 CE MET A 45 6.481 -1.725 -0.224 1.00 0.00 C ATOM 0 H MET A 45 2.863 -5.391 -2.214 1.00 0.00 H new ATOM 0 HA MET A 45 5.538 -6.531 -1.980 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.809 -3.771 -1.025 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.918 -4.761 -0.098 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.499 -4.845 -1.932 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.359 -4.085 -3.024 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.794 -0.690 -0.089 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.415 -1.755 -0.451 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.673 -2.284 0.692 1.00 0.00 H new ATOM 743 N PRO A 46 4.542 -7.326 0.577 1.00 0.00 N ATOM 744 CA PRO A 46 3.828 -7.822 1.783 1.00 0.00 C ATOM 745 C PRO A 46 3.783 -6.731 2.886 1.00 0.00 C ATOM 746 O PRO A 46 4.520 -5.749 2.798 1.00 0.00 O ATOM 747 CB PRO A 46 4.752 -8.979 2.233 1.00 0.00 C ATOM 748 CG PRO A 46 6.166 -8.497 1.894 1.00 0.00 C ATOM 749 CD PRO A 46 5.921 -7.833 0.523 1.00 0.00 C ATOM 0 HA PRO A 46 2.793 -8.107 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.646 -9.179 3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.512 -9.905 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.551 -7.793 2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.880 -9.318 1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.630 -7.025 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.045 -8.550 -0.289 1.00 0.00 H new ATOM 757 N ILE A 47 2.991 -6.891 3.991 1.00 0.00 N ATOM 758 CA ILE A 47 2.926 -5.967 5.153 1.00 0.00 C ATOM 759 C ILE A 47 4.294 -5.868 5.871 1.00 0.00 C ATOM 760 O ILE A 47 4.765 -4.753 6.118 1.00 0.00 O ATOM 761 CB ILE A 47 1.682 -6.105 6.047 1.00 0.00 C ATOM 762 CG1 ILE A 47 0.414 -6.309 5.168 1.00 0.00 C ATOM 763 CG2 ILE A 47 1.519 -4.831 6.907 1.00 0.00 C ATOM 764 CD1 ILE A 47 -0.915 -6.072 5.905 1.00 0.00 C ATOM 0 H ILE A 47 2.366 -7.690 4.094 1.00 0.00 H new ATOM 0 HA ILE A 47 2.744 -4.971 4.749 1.00 0.00 H new ATOM 0 HB ILE A 47 1.805 -6.970 6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.467 -5.634 4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.420 -7.325 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.637 -4.930 7.540 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.402 -4.699 7.532 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.403 -3.965 6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.746 -6.236 5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.995 -6.764 6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.948 -5.048 6.276 1.00 0.00 H new ATOM 776 N PRO A 48 5.016 -6.991 6.164 1.00 0.00 N ATOM 777 CA PRO A 48 6.444 -7.103 6.400 1.00 0.00 C ATOM 778 C PRO A 48 7.441 -6.478 5.426 1.00 0.00 C ATOM 779 O PRO A 48 8.589 -6.412 5.813 1.00 0.00 O ATOM 780 CB PRO A 48 6.738 -8.292 7.338 1.00 0.00 C ATOM 781 CG PRO A 48 5.363 -8.988 7.418 1.00 0.00 C ATOM 782 CD PRO A 48 4.458 -8.330 6.341 1.00 0.00 C ATOM 0 HA PRO A 48 6.857 -6.267 6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.506 -8.951 6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.086 -7.963 8.317 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.461 -10.058 7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.929 -8.871 8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.476 -8.894 5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.419 -8.287 6.668 1.00 0.00 H new ATOM 790 N HIS A 49 7.206 -6.021 4.150 1.00 0.00 N ATOM 791 CA HIS A 49 8.246 -5.204 3.427 1.00 0.00 C ATOM 792 C HIS A 49 8.593 -3.929 4.217 1.00 0.00 C ATOM 793 O HIS A 49 9.735 -3.569 4.471 1.00 0.00 O ATOM 794 CB HIS A 49 7.807 -4.722 2.001 1.00 0.00 C ATOM 795 CG HIS A 49 8.765 -3.790 1.236 1.00 0.00 C ATOM 796 ND1 HIS A 49 9.116 -2.500 1.599 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.464 -4.032 0.092 1.00 0.00 C ATOM 798 CE1 HIS A 49 10.012 -2.052 0.693 1.00 0.00 C ATOM 799 NE2 HIS A 49 10.267 -2.946 -0.236 1.00 0.00 N ATOM 0 H HIS A 49 6.350 -6.193 3.622 1.00 0.00 H new ATOM 0 HA HIS A 49 9.095 -5.881 3.332 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.636 -5.605 1.386 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.849 -4.211 2.099 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.402 -4.944 -0.482 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.466 -1.073 0.728 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.911 -2.862 -1.023 1.00 0.00 H new ATOM 807 N VAL A 50 7.510 -3.280 4.682 1.00 0.00 N ATOM 808 CA VAL A 50 7.496 -2.174 5.615 1.00 0.00 C ATOM 809 C VAL A 50 7.747 -2.669 7.060 1.00 0.00 C ATOM 810 O VAL A 50 8.678 -2.167 7.682 1.00 0.00 O ATOM 811 CB VAL A 50 6.366 -1.160 5.328 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.553 -1.479 4.055 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.511 -0.909 6.564 1.00 0.00 C ATOM 0 H VAL A 50 6.569 -3.542 4.388 1.00 0.00 H new ATOM 0 HA VAL A 50 8.353 -1.519 5.457 1.00 0.00 H new ATOM 0 HB VAL A 50 6.850 -0.212 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.779 -0.724 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.216 -1.478 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.089 -2.460 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.727 -0.191 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.058 -1.846 6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.136 -0.511 7.364 1.00 0.00 H new ATOM 823 N ARG A 51 7.008 -3.705 7.592 1.00 0.00 N ATOM 824 CA ARG A 51 7.270 -4.347 8.902 1.00 0.00 C ATOM 825 C ARG A 51 8.625 -5.085 9.121 1.00 0.00 C ATOM 826 O ARG A 51 9.076 -5.165 10.246 1.00 0.00 O ATOM 827 CB ARG A 51 6.167 -5.301 9.462 1.00 0.00 C ATOM 828 CG ARG A 51 4.756 -4.759 9.621 1.00 0.00 C ATOM 829 CD ARG A 51 3.724 -5.881 9.824 1.00 0.00 C ATOM 830 NE ARG A 51 2.410 -5.279 10.232 1.00 0.00 N ATOM 831 CZ ARG A 51 1.307 -6.027 10.547 1.00 0.00 C ATOM 832 NH1 ARG A 51 1.351 -7.391 10.520 1.00 0.00 N ATOM 833 NH2 ARG A 51 0.145 -5.394 10.882 1.00 0.00 N ATOM 0 H ARG A 51 6.209 -4.110 7.105 1.00 0.00 H new ATOM 0 HA ARG A 51 7.289 -3.409 9.456 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.117 -6.171 8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.499 -5.655 10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.723 -4.079 10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.490 -4.178 8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.605 -6.452 8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.071 -6.576 10.588 1.00 0.00 H new ATOM 0 HE ARG A 51 2.335 -4.263 10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.215 -7.868 10.262 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.520 -7.933 10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.105 -4.375 10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.683 -5.940 11.119 1.00 0.00 H new ATOM 847 N ASP A 52 9.344 -5.693 8.145 1.00 0.00 N ATOM 848 CA ASP A 52 10.693 -6.274 8.346 1.00 0.00 C ATOM 849 C ASP A 52 11.861 -5.264 8.373 1.00 0.00 C ATOM 850 O ASP A 52 12.975 -5.617 8.726 1.00 0.00 O ATOM 851 CB ASP A 52 10.985 -7.438 7.341 1.00 0.00 C ATOM 852 CG ASP A 52 12.071 -8.419 7.816 1.00 0.00 C ATOM 853 OD1 ASP A 52 11.869 -9.046 8.890 1.00 0.00 O ATOM 854 OD2 ASP A 52 13.104 -8.549 7.108 1.00 0.00 O ATOM 0 H ASP A 52 9.001 -5.794 7.190 1.00 0.00 H new ATOM 0 HA ASP A 52 10.649 -6.676 9.358 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.063 -7.991 7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.289 -7.011 6.385 1.00 0.00 H new ATOM 859 N SER A 53 11.625 -4.011 7.903 1.00 0.00 N ATOM 860 CA SER A 53 12.582 -2.929 7.628 1.00 0.00 C ATOM 861 C SER A 53 12.896 -1.947 8.722 1.00 0.00 C ATOM 862 O SER A 53 13.902 -1.248 8.635 1.00 0.00 O ATOM 863 CB SER A 53 12.090 -2.064 6.481 1.00 0.00 C ATOM 864 OG SER A 53 12.054 -2.827 5.277 1.00 0.00 O ATOM 0 H SER A 53 10.672 -3.715 7.691 1.00 0.00 H new ATOM 0 HA SER A 53 13.488 -3.505 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.096 -1.677 6.706 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.746 -1.203 6.356 1.00 0.00 H new ATOM 0 HG SER A 53 11.129 -3.084 5.080 1.00 0.00 H new ATOM 870 N LEU A 54 12.057 -1.866 9.795 1.00 0.00 N ATOM 871 CA LEU A 54 12.118 -0.932 10.918 1.00 0.00 C ATOM 872 C LEU A 54 13.383 -1.174 11.780 1.00 0.00 C ATOM 873 O LEU A 54 13.895 -0.278 12.450 1.00 0.00 O ATOM 874 CB LEU A 54 10.877 -1.079 11.906 1.00 0.00 C ATOM 875 CG LEU A 54 10.137 -2.437 12.172 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.726 -2.494 11.587 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.885 -3.747 11.959 1.00 0.00 C ATOM 0 H LEU A 54 11.269 -2.507 9.887 1.00 0.00 H new ATOM 0 HA LEU A 54 12.123 0.058 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.214 -0.718 12.878 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.119 -0.381 11.552 1.00 0.00 H new ATOM 0 HG LEU A 54 10.075 -2.387 13.259 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.278 -3.462 11.811 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.118 -1.703 12.026 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.774 -2.358 10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.225 -4.584 12.188 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.211 -3.815 10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.755 -3.780 12.615 1.00 0.00 H new ATOM 889 N ILE A 55 13.901 -2.418 11.701 1.00 0.00 N ATOM 890 CA ILE A 55 15.130 -2.897 12.299 1.00 0.00 C ATOM 891 C ILE A 55 15.590 -3.971 11.304 1.00 0.00 C ATOM 892 O ILE A 55 14.759 -4.641 10.702 1.00 0.00 O ATOM 893 CB ILE A 55 15.089 -3.510 13.735 1.00 0.00 C ATOM 894 CG1 ILE A 55 13.775 -3.610 14.553 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.212 -2.959 14.637 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.054 -2.349 14.939 1.00 0.00 C ATOM 0 H ILE A 55 13.425 -3.153 11.177 1.00 0.00 H new ATOM 0 HA ILE A 55 15.780 -2.037 12.459 1.00 0.00 H new ATOM 0 HB ILE A 55 15.230 -4.550 13.442 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.079 -4.224 13.982 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.000 -4.153 15.471 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.142 -3.415 15.625 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.181 -3.194 14.197 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.108 -1.878 14.728 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.158 -2.601 15.506 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.708 -1.729 15.552 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.772 -1.801 14.040 1.00 0.00 H new ATOM 908 N GLN A 56 16.923 -4.161 11.190 1.00 0.00 N ATOM 909 CA GLN A 56 17.659 -5.148 10.433 1.00 0.00 C ATOM 910 C GLN A 56 18.036 -6.503 11.111 1.00 0.00 C ATOM 911 O GLN A 56 17.932 -7.503 10.403 1.00 0.00 O ATOM 912 CB GLN A 56 18.925 -4.398 9.947 1.00 0.00 C ATOM 913 CG GLN A 56 19.770 -5.152 8.910 1.00 0.00 C ATOM 914 CD GLN A 56 21.069 -4.387 8.691 1.00 0.00 C ATOM 915 OE1 GLN A 56 22.028 -4.589 9.437 1.00 0.00 O ATOM 916 NE2 GLN A 56 21.090 -3.467 7.699 1.00 0.00 N ATOM 0 H GLN A 56 17.564 -3.546 11.691 1.00 0.00 H new ATOM 0 HA GLN A 56 16.992 -5.511 9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.621 -3.442 9.520 1.00 0.00 H new ATOM 0 HB3 GLN A 56 19.551 -4.176 10.811 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.981 -6.163 9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.223 -5.245 7.972 1.00 0.00 H new ATOM 0 HE21 GLN A 56 20.270 -3.337 7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 56 21.926 -2.904 7.543 1.00 0.00 H new ATOM 925 N PRO A 57 18.503 -6.648 12.389 1.00 0.00 N ATOM 926 CA PRO A 57 19.104 -7.886 12.928 1.00 0.00 C ATOM 927 C PRO A 57 18.070 -8.856 13.526 1.00 0.00 C ATOM 928 O PRO A 57 17.024 -9.091 12.940 1.00 0.00 O ATOM 929 CB PRO A 57 20.005 -7.295 14.038 1.00 0.00 C ATOM 930 CG PRO A 57 19.109 -6.206 14.631 1.00 0.00 C ATOM 931 CD PRO A 57 18.621 -5.543 13.340 1.00 0.00 C ATOM 0 HA PRO A 57 19.610 -8.487 12.172 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.282 -8.044 14.780 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.932 -6.886 13.636 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.292 -6.615 15.226 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.657 -5.517 15.273 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.665 -5.041 13.487 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.326 -4.789 12.989 1.00 0.00 H new ATOM 939 N HIS A 58 18.343 -9.399 14.747 1.00 0.00 N ATOM 940 CA HIS A 58 17.515 -10.298 15.552 1.00 0.00 C ATOM 941 C HIS A 58 16.284 -9.628 16.172 1.00 0.00 C ATOM 942 O HIS A 58 15.265 -10.266 16.414 1.00 0.00 O ATOM 943 CB HIS A 58 18.362 -11.009 16.645 1.00 0.00 C ATOM 944 CG HIS A 58 17.575 -11.974 17.488 1.00 0.00 C ATOM 945 ND1 HIS A 58 17.147 -13.220 17.084 1.00 0.00 N ATOM 946 CD2 HIS A 58 16.955 -11.736 18.674 1.00 0.00 C ATOM 947 CE1 HIS A 58 16.305 -13.676 18.046 1.00 0.00 C ATOM 948 NE2 HIS A 58 16.154 -12.803 19.022 1.00 0.00 N ATOM 0 H HIS A 58 19.224 -9.192 15.218 1.00 0.00 H new ATOM 0 HA HIS A 58 17.130 -11.042 14.854 1.00 0.00 H new ATOM 0 HB2 HIS A 58 19.182 -11.544 16.166 1.00 0.00 H new ATOM 0 HB3 HIS A 58 18.809 -10.255 17.293 1.00 0.00 H new ATOM 0 HD2 HIS A 58 17.073 -10.837 19.261 1.00 0.00 H new ATOM 0 HE1 HIS A 58 15.817 -14.639 18.015 1.00 0.00 H new ATOM 0 HE2 HIS A 58 15.571 -12.896 19.854 1.00 0.00 H new ATOM 956 N ASP A 59 16.331 -8.296 16.437 1.00 0.00 N ATOM 957 CA ASP A 59 15.267 -7.492 17.005 1.00 0.00 C ATOM 958 C ASP A 59 14.316 -6.977 15.942 1.00 0.00 C ATOM 959 O ASP A 59 13.386 -6.254 16.263 1.00 0.00 O ATOM 960 CB ASP A 59 15.834 -6.280 17.801 1.00 0.00 C ATOM 961 CG ASP A 59 16.739 -6.787 18.929 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.219 -7.492 19.834 1.00 0.00 O ATOM 963 OD2 ASP A 59 17.960 -6.475 18.896 1.00 0.00 O ATOM 0 H ASP A 59 17.166 -7.744 16.242 1.00 0.00 H new ATOM 0 HA ASP A 59 14.719 -8.148 17.682 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.397 -5.625 17.135 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.017 -5.688 18.214 1.00 0.00 H new ATOM 968 N ARG A 60 14.484 -7.356 14.635 1.00 0.00 N ATOM 969 CA ARG A 60 13.667 -7.013 13.458 1.00 0.00 C ATOM 970 C ARG A 60 12.175 -7.135 13.624 1.00 0.00 C ATOM 971 O ARG A 60 11.478 -6.193 13.302 1.00 0.00 O ATOM 972 CB ARG A 60 14.130 -7.683 12.123 1.00 0.00 C ATOM 973 CG ARG A 60 13.694 -9.148 11.855 1.00 0.00 C ATOM 974 CD ARG A 60 14.217 -10.187 12.864 1.00 0.00 C ATOM 975 NE ARG A 60 13.149 -11.216 13.120 1.00 0.00 N ATOM 976 CZ ARG A 60 13.355 -12.344 13.869 1.00 0.00 C ATOM 977 NH1 ARG A 60 14.584 -12.627 14.389 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.313 -13.198 14.093 1.00 0.00 N ATOM 0 H ARG A 60 15.264 -7.959 14.373 1.00 0.00 H new ATOM 0 HA ARG A 60 13.868 -5.945 13.378 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.767 -7.070 11.298 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.219 -7.647 12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.605 -9.190 11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.031 -9.433 10.858 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.115 -10.668 12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.496 -9.696 13.797 1.00 0.00 H new ATOM 0 HE ARG A 60 12.225 -11.066 12.715 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.366 -11.994 14.222 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.721 -13.471 14.945 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.393 -12.993 13.704 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.455 -14.041 14.649 1.00 0.00 H new ATOM 992 N LYS A 61 11.606 -8.230 14.191 1.00 0.00 N ATOM 993 CA LYS A 61 10.191 -8.314 14.550 1.00 0.00 C ATOM 994 C LYS A 61 9.705 -7.482 15.723 1.00 0.00 C ATOM 995 O LYS A 61 8.528 -7.145 15.817 1.00 0.00 O ATOM 996 CB LYS A 61 9.405 -9.552 14.046 1.00 0.00 C ATOM 997 CG LYS A 61 8.061 -9.936 14.718 1.00 0.00 C ATOM 998 CD LYS A 61 8.168 -10.464 16.160 1.00 0.00 C ATOM 999 CE LYS A 61 6.877 -11.117 16.673 1.00 0.00 C ATOM 1000 NZ LYS A 61 5.746 -10.160 16.663 1.00 0.00 N ATOM 0 H LYS A 61 12.131 -9.077 14.408 1.00 0.00 H new ATOM 0 HA LYS A 61 9.701 -7.642 13.845 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.207 -9.402 12.985 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.068 -10.414 14.128 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.411 -9.061 14.717 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.573 -10.695 14.107 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.979 -11.191 16.213 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.436 -9.640 16.821 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.632 -11.979 16.052 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.033 -11.488 17.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.871 -10.653 16.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.935 -9.393 17.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.637 -9.761 15.709 1.00 0.00 H new ATOM 1014 N LYS A 62 10.583 -7.114 16.686 1.00 0.00 N ATOM 1015 CA LYS A 62 10.244 -6.324 17.868 1.00 0.00 C ATOM 1016 C LYS A 62 9.490 -4.994 17.699 1.00 0.00 C ATOM 1017 O LYS A 62 8.662 -4.660 18.541 1.00 0.00 O ATOM 1018 CB LYS A 62 11.502 -6.193 18.776 1.00 0.00 C ATOM 1019 CG LYS A 62 11.234 -5.495 20.121 1.00 0.00 C ATOM 1020 CD LYS A 62 11.664 -4.019 20.287 1.00 0.00 C ATOM 1021 CE LYS A 62 13.145 -3.696 20.011 1.00 0.00 C ATOM 1022 NZ LYS A 62 13.417 -3.454 18.571 1.00 0.00 N ATOM 0 H LYS A 62 11.569 -7.371 16.651 1.00 0.00 H new ATOM 0 HA LYS A 62 9.458 -6.908 18.347 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.904 -7.188 18.968 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.270 -5.638 18.237 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.163 -5.552 20.316 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.731 -6.074 20.899 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.053 -3.409 19.622 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.432 -3.709 21.306 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.434 -2.816 20.585 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.765 -4.522 20.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.271 -3.976 18.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.607 -3.780 18.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.564 -2.437 18.412 1.00 0.00 H new ATOM 1036 N MET A 63 9.678 -4.239 16.585 1.00 0.00 N ATOM 1037 CA MET A 63 8.845 -3.064 16.334 1.00 0.00 C ATOM 1038 C MET A 63 7.913 -3.288 15.158 1.00 0.00 C ATOM 1039 O MET A 63 7.193 -2.370 14.776 1.00 0.00 O ATOM 1040 CB MET A 63 9.571 -1.695 16.344 1.00 0.00 C ATOM 1041 CG MET A 63 10.250 -1.461 17.713 1.00 0.00 C ATOM 1042 SD MET A 63 10.871 0.217 18.028 1.00 0.00 S ATOM 1043 CE MET A 63 12.076 0.244 16.674 1.00 0.00 C ATOM 0 H MET A 63 10.383 -4.427 15.872 1.00 0.00 H new ATOM 0 HA MET A 63 8.217 -2.963 17.219 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.317 -1.665 15.550 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.858 -0.896 16.142 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.536 -1.714 18.497 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.084 -2.157 17.805 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.479 1.251 16.566 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.887 -0.450 16.895 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.587 -0.053 15.746 1.00 0.00 H new ATOM 1053 N LYS A 64 7.824 -4.555 14.605 1.00 0.00 N ATOM 1054 CA LYS A 64 6.836 -4.991 13.607 1.00 0.00 C ATOM 1055 C LYS A 64 5.453 -5.127 14.263 1.00 0.00 C ATOM 1056 O LYS A 64 4.415 -4.784 13.697 1.00 0.00 O ATOM 1057 CB LYS A 64 7.304 -6.311 12.907 1.00 0.00 C ATOM 1058 CG LYS A 64 6.226 -7.353 12.583 1.00 0.00 C ATOM 1059 CD LYS A 64 6.660 -8.409 11.556 1.00 0.00 C ATOM 1060 CE LYS A 64 5.743 -9.640 11.508 1.00 0.00 C ATOM 1061 NZ LYS A 64 4.355 -9.276 11.142 1.00 0.00 N ATOM 0 H LYS A 64 8.468 -5.302 14.867 1.00 0.00 H new ATOM 0 HA LYS A 64 6.752 -4.237 12.825 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.803 -6.041 11.976 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.051 -6.785 13.544 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.935 -7.857 13.505 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.341 -6.839 12.207 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.689 -7.951 10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.675 -8.732 11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.134 -10.357 10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.745 -10.134 12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.836 -10.131 10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.883 -8.842 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.370 -8.600 10.352 1.00 0.00 H new ATOM 1075 N LYS A 65 5.465 -5.608 15.542 1.00 0.00 N ATOM 1076 CA LYS A 65 4.313 -5.766 16.442 1.00 0.00 C ATOM 1077 C LYS A 65 3.591 -4.446 16.837 1.00 0.00 C ATOM 1078 O LYS A 65 2.365 -4.345 16.802 1.00 0.00 O ATOM 1079 CB LYS A 65 4.769 -6.565 17.690 1.00 0.00 C ATOM 1080 CG LYS A 65 3.637 -7.194 18.524 1.00 0.00 C ATOM 1081 CD LYS A 65 4.169 -8.148 19.609 1.00 0.00 C ATOM 1082 CE LYS A 65 4.936 -7.441 20.737 1.00 0.00 C ATOM 1083 NZ LYS A 65 5.392 -8.418 21.755 1.00 0.00 N ATOM 0 H LYS A 65 6.334 -5.909 15.984 1.00 0.00 H new ATOM 0 HA LYS A 65 3.551 -6.313 15.887 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.442 -7.359 17.366 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.346 -5.901 18.334 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.053 -6.403 18.994 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.962 -7.739 17.864 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.331 -8.696 20.040 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.824 -8.884 19.143 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.795 -6.912 20.323 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.296 -6.693 21.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.908 -7.920 22.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.568 -8.904 22.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.020 -9.116 21.309 1.00 0.00 H new ATOM 1097 N VAL A 66 4.380 -3.358 17.139 1.00 0.00 N ATOM 1098 CA VAL A 66 3.938 -1.968 17.389 1.00 0.00 C ATOM 1099 C VAL A 66 3.476 -1.295 16.108 1.00 0.00 C ATOM 1100 O VAL A 66 2.583 -0.448 16.140 1.00 0.00 O ATOM 1101 CB VAL A 66 4.823 -1.056 18.253 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.063 -0.537 17.507 1.00 0.00 C ATOM 1103 CG2 VAL A 66 3.994 0.145 18.792 1.00 0.00 C ATOM 0 H VAL A 66 5.393 -3.450 17.215 1.00 0.00 H new ATOM 0 HA VAL A 66 3.090 -2.113 18.058 1.00 0.00 H new ATOM 0 HB VAL A 66 5.180 -1.667 19.082 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.647 0.101 18.171 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.674 -1.381 17.185 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.749 0.037 16.635 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.633 0.783 19.403 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.600 0.721 17.954 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.167 -0.226 19.397 1.00 0.00 H new ATOM 1113 N TRP A 67 4.058 -1.670 14.922 1.00 0.00 N ATOM 1114 CA TRP A 67 3.664 -1.205 13.589 1.00 0.00 C ATOM 1115 C TRP A 67 2.155 -1.345 13.262 1.00 0.00 C ATOM 1116 O TRP A 67 1.571 -0.426 12.707 1.00 0.00 O ATOM 1117 CB TRP A 67 4.592 -1.782 12.474 1.00 0.00 C ATOM 1118 CG TRP A 67 4.325 -1.249 11.079 1.00 0.00 C ATOM 1119 CD1 TRP A 67 3.633 -1.855 10.079 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.371 0.139 10.742 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.415 -0.987 9.059 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.778 0.276 9.485 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.805 1.208 11.455 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.538 1.512 8.947 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 4.485 2.439 10.959 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.844 2.592 9.746 1.00 0.00 C ATOM 0 H TRP A 67 4.838 -2.327 14.890 1.00 0.00 H new ATOM 0 HA TRP A 67 3.817 -0.126 13.611 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.628 -1.567 12.737 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.486 -2.867 12.459 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.303 -2.883 10.094 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.047 -1.226 8.138 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.373 1.092 12.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 3.132 1.633 7.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.741 3.318 11.532 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.575 3.584 9.415 1.00 0.00 H new ATOM 1137 N ASP A 68 1.466 -2.430 13.729 1.00 0.00 N ATOM 1138 CA ASP A 68 0.004 -2.660 13.686 1.00 0.00 C ATOM 1139 C ASP A 68 -0.830 -1.525 14.332 1.00 0.00 C ATOM 1140 O ASP A 68 -1.833 -1.066 13.793 1.00 0.00 O ATOM 1141 CB ASP A 68 -0.305 -4.031 14.371 1.00 0.00 C ATOM 1142 CG ASP A 68 -1.742 -4.535 14.167 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -2.154 -4.698 12.989 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -2.440 -4.759 15.192 1.00 0.00 O ATOM 0 H ASP A 68 1.955 -3.209 14.170 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.294 -2.673 12.638 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.387 -4.780 13.986 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.114 -3.940 15.440 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.341 -1.020 15.496 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.804 0.173 16.203 1.00 0.00 C ATOM 1151 C ARG A 69 -0.323 1.488 15.559 1.00 0.00 C ATOM 1152 O ARG A 69 -1.125 2.388 15.318 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.414 0.057 17.702 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.774 1.233 18.643 1.00 0.00 C ATOM 1155 CD ARG A 69 -2.234 1.723 18.590 1.00 0.00 C ATOM 1156 NE ARG A 69 -3.163 0.571 18.870 1.00 0.00 N ATOM 1157 CZ ARG A 69 -4.479 0.555 18.488 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -5.026 1.602 17.806 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -5.250 -0.529 18.794 1.00 0.00 N ATOM 0 H ARG A 69 0.433 -1.472 15.983 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.890 0.219 16.124 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.882 -0.843 18.100 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.664 -0.094 17.755 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.550 0.934 19.667 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.122 2.073 18.406 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.389 2.515 19.322 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.450 2.148 17.610 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.794 -0.238 19.369 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.454 2.413 17.573 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.007 1.573 17.529 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.845 -1.316 19.302 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.231 -0.552 18.515 1.00 0.00 H new ATOM 1173 N ALA A 70 1.000 1.627 15.217 1.00 0.00 N ATOM 1174 CA ALA A 70 1.642 2.793 14.583 1.00 0.00 C ATOM 1175 C ALA A 70 1.044 3.240 13.238 1.00 0.00 C ATOM 1176 O ALA A 70 0.981 4.431 12.929 1.00 0.00 O ATOM 1177 CB ALA A 70 3.168 2.608 14.444 1.00 0.00 C ATOM 0 H ALA A 70 1.669 0.878 15.393 1.00 0.00 H new ATOM 0 HA ALA A 70 1.427 3.603 15.281 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.600 3.490 13.972 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.609 2.472 15.431 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.374 1.731 13.830 1.00 0.00 H new ATOM 1183 N VAL A 71 0.526 2.250 12.438 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.223 2.361 11.184 1.00 0.00 C ATOM 1185 C VAL A 71 -1.502 3.173 11.298 1.00 0.00 C ATOM 1186 O VAL A 71 -1.850 3.871 10.351 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.527 0.982 10.595 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.437 1.000 9.366 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.770 0.407 10.050 1.00 0.00 C ATOM 0 H VAL A 71 0.646 1.271 12.699 1.00 0.00 H new ATOM 0 HA VAL A 71 0.433 2.909 10.507 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.002 0.426 11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.598 -0.020 9.017 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.395 1.449 9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.968 1.584 8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.580 -0.578 9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.164 1.067 9.277 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.497 0.319 10.858 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.207 3.153 12.478 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.417 3.919 12.817 1.00 0.00 C ATOM 1201 C ASP A 72 -3.199 5.439 12.701 1.00 0.00 C ATOM 1202 O ASP A 72 -3.988 6.152 12.095 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.942 3.480 14.223 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.377 3.934 14.517 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.279 3.615 13.697 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.586 4.592 15.569 1.00 0.00 O ATOM 0 H ASP A 72 -1.912 2.559 13.253 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.192 3.690 12.085 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.892 2.394 14.296 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.279 3.882 14.990 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.033 5.918 13.214 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.457 7.262 13.126 1.00 0.00 C ATOM 1213 C PHE A 73 -1.005 7.663 11.704 1.00 0.00 C ATOM 1214 O PHE A 73 -1.378 8.735 11.237 1.00 0.00 O ATOM 1215 CB PHE A 73 -0.248 7.375 14.111 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.438 6.682 15.459 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -1.650 6.703 16.138 1.00 0.00 C ATOM 1218 CD2 PHE A 73 0.625 6.031 16.077 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -1.805 6.056 17.350 1.00 0.00 C ATOM 1220 CE2 PHE A 73 0.480 5.398 17.294 1.00 0.00 C ATOM 1221 CZ PHE A 73 -0.742 5.393 17.926 1.00 0.00 C ATOM 0 H PHE A 73 -1.423 5.301 13.750 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.253 7.955 13.399 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.634 6.956 13.627 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.043 8.431 14.289 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.487 7.235 15.711 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.589 6.021 15.591 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.763 6.070 17.848 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.326 4.906 17.751 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.868 4.874 18.865 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.234 6.809 10.942 1.00 0.00 N ATOM 1232 CA LEU A 74 0.125 7.031 9.504 1.00 0.00 C ATOM 1233 C LEU A 74 -1.079 7.002 8.521 1.00 0.00 C ATOM 1234 O LEU A 74 -1.298 7.957 7.767 1.00 0.00 O ATOM 1235 CB LEU A 74 1.168 5.930 9.036 1.00 0.00 C ATOM 1236 CG LEU A 74 1.599 5.837 7.539 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.332 7.051 6.984 1.00 0.00 C ATOM 1238 CD2 LEU A 74 2.588 4.687 7.309 1.00 0.00 C ATOM 0 H LEU A 74 0.154 5.944 11.318 1.00 0.00 H new ATOM 0 HA LEU A 74 0.542 8.037 9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.074 6.074 9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.758 4.959 9.314 1.00 0.00 H new ATOM 0 HG LEU A 74 0.639 5.716 7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.583 6.877 5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.692 7.930 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.246 7.216 7.554 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.867 4.652 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.480 4.847 7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.121 3.744 7.593 1.00 0.00 H new ATOM 1250 N ALA A 75 -1.914 5.913 8.523 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.052 5.670 7.642 1.00 0.00 C ATOM 1252 C ALA A 75 -4.289 6.561 7.777 1.00 0.00 C ATOM 1253 O ALA A 75 -5.056 6.672 6.822 1.00 0.00 O ATOM 1254 CB ALA A 75 -3.473 4.189 7.758 1.00 0.00 C ATOM 0 H ALA A 75 -1.782 5.151 9.188 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.666 5.940 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.323 4.000 7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.640 3.550 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.754 3.970 8.788 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.498 7.260 8.941 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.602 8.180 9.186 1.00 0.00 C ATOM 1262 C ALA A 76 -5.373 9.593 8.630 1.00 0.00 C ATOM 1263 O ALA A 76 -6.175 10.493 8.854 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.891 8.242 10.706 1.00 0.00 C ATOM 0 H ALA A 76 -3.871 7.178 9.741 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.463 7.786 8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.716 8.929 10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.158 7.249 11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.002 8.592 11.231 1.00 0.00 H new ATOM 1270 N ASN A 77 -4.270 9.814 7.871 1.00 0.00 N ATOM 1271 CA ASN A 77 -3.906 11.068 7.226 1.00 0.00 C ATOM 1272 C ASN A 77 -3.327 10.780 5.845 1.00 0.00 C ATOM 1273 O ASN A 77 -3.603 11.492 4.882 1.00 0.00 O ATOM 1274 CB ASN A 77 -2.871 11.922 8.020 1.00 0.00 C ATOM 1275 CG ASN A 77 -3.274 12.086 9.483 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -2.630 11.459 10.326 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -4.318 12.899 9.783 1.00 0.00 N ATOM 0 H ASN A 77 -3.588 9.077 7.693 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.826 11.650 7.172 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.890 11.449 7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.778 12.904 7.556 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.609 13.018 10.753 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.811 13.391 9.038 1.00 0.00 H new ATOM 1284 N GLU A 78 -2.467 9.726 5.709 1.00 0.00 N ATOM 1285 CA GLU A 78 -1.794 9.375 4.461 1.00 0.00 C ATOM 1286 C GLU A 78 -2.383 8.116 3.798 1.00 0.00 C ATOM 1287 O GLU A 78 -3.588 8.045 3.555 1.00 0.00 O ATOM 1288 CB GLU A 78 -0.263 9.283 4.744 1.00 0.00 C ATOM 1289 CG GLU A 78 0.657 9.462 3.517 1.00 0.00 C ATOM 1290 CD GLU A 78 2.114 9.301 3.950 1.00 0.00 C ATOM 1291 OE1 GLU A 78 2.595 10.149 4.748 1.00 0.00 O ATOM 1292 OE2 GLU A 78 2.762 8.324 3.489 1.00 0.00 O ATOM 0 H GLU A 78 -2.233 9.103 6.482 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.964 10.155 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.003 10.040 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.053 8.313 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.410 8.726 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.504 10.446 3.074 1.00 0.00 H new ATOM 1299 N SER A 79 -1.509 7.127 3.480 1.00 0.00 N ATOM 1300 CA SER A 79 -1.717 5.845 2.812 1.00 0.00 C ATOM 1301 C SER A 79 -0.856 5.745 1.563 1.00 0.00 C ATOM 1302 O SER A 79 0.315 5.373 1.639 1.00 0.00 O ATOM 1303 CB SER A 79 -3.171 5.290 2.548 1.00 0.00 C ATOM 1304 OG SER A 79 -3.956 6.091 1.659 1.00 0.00 O ATOM 0 H SER A 79 -0.524 7.238 3.722 1.00 0.00 H new ATOM 0 HA SER A 79 -1.402 5.162 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.094 4.283 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.694 5.207 3.501 1.00 0.00 H new ATOM 0 HG SER A 79 -4.065 6.988 2.037 1.00 0.00 H new ATOM 1310 N ARG A 80 -1.466 5.993 0.360 1.00 0.00 N ATOM 1311 CA ARG A 80 -0.934 5.796 -1.003 1.00 0.00 C ATOM 1312 C ARG A 80 -0.970 4.318 -1.348 1.00 0.00 C ATOM 1313 O ARG A 80 -1.766 3.898 -2.177 1.00 0.00 O ATOM 1314 CB ARG A 80 0.438 6.471 -1.310 1.00 0.00 C ATOM 1315 CG ARG A 80 0.408 8.008 -1.217 1.00 0.00 C ATOM 1316 CD ARG A 80 1.797 8.645 -1.385 1.00 0.00 C ATOM 1317 NE ARG A 80 2.647 8.273 -0.194 1.00 0.00 N ATOM 1318 CZ ARG A 80 4.017 8.311 -0.193 1.00 0.00 C ATOM 1319 NH1 ARG A 80 4.712 8.666 -1.311 1.00 0.00 N ATOM 1320 NH2 ARG A 80 4.695 7.989 0.947 1.00 0.00 N ATOM 0 H ARG A 80 -2.416 6.364 0.332 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.599 6.342 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.185 6.089 -0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.758 6.183 -2.311 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.261 8.400 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.006 8.301 -0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.264 8.296 -2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.709 9.729 -1.463 1.00 0.00 H new ATOM 0 HE ARG A 80 2.174 7.976 0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.212 8.909 -2.166 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.732 8.689 -1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.182 7.723 1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.715 8.014 0.958 1.00 0.00 H new ATOM 1334 N VAL A 81 -0.170 3.479 -0.649 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.125 2.028 -0.808 1.00 0.00 C ATOM 1336 C VAL A 81 -1.362 1.418 -0.056 1.00 0.00 C ATOM 1337 O VAL A 81 -1.566 1.655 1.138 1.00 0.00 O ATOM 1338 CB VAL A 81 1.292 1.533 -0.469 1.00 0.00 C ATOM 1339 CG1 VAL A 81 1.431 0.001 -0.549 1.00 0.00 C ATOM 1340 CG2 VAL A 81 2.301 2.106 -1.510 1.00 0.00 C ATOM 0 H VAL A 81 0.479 3.817 0.062 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.255 1.670 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 81 1.491 1.864 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.453 -0.285 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.741 -0.464 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.197 -0.333 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.306 1.757 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.026 1.767 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.278 3.195 -1.478 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.265 0.708 -0.807 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.576 0.168 -0.467 1.00 0.00 C ATOM 1352 C ARG A 82 -3.536 -1.275 0.011 1.00 0.00 C ATOM 1353 O ARG A 82 -2.856 -2.104 -0.587 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.462 0.232 -1.754 1.00 0.00 C ATOM 1355 CG ARG A 82 -5.927 -0.213 -1.594 1.00 0.00 C ATOM 1356 CD ARG A 82 -6.769 0.081 -2.840 1.00 0.00 C ATOM 1357 NE ARG A 82 -8.162 -0.439 -2.607 1.00 0.00 N ATOM 1358 CZ ARG A 82 -9.123 -0.463 -3.582 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -8.863 0.013 -4.835 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -10.357 -0.973 -3.296 1.00 0.00 N ATOM 0 H ARG A 82 -2.039 0.488 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.974 0.764 0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.454 1.257 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.998 -0.388 -2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.958 -1.282 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.366 0.294 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.793 1.153 -3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.328 -0.395 -3.716 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.401 -0.790 -1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.943 0.393 -5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.589 -0.012 -5.551 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.557 -1.332 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.079 -0.995 -4.016 1.00 0.00 H new ATOM 1374 N THR A 83 -4.279 -1.612 1.101 1.00 0.00 N ATOM 1375 CA THR A 83 -4.397 -2.934 1.723 1.00 0.00 C ATOM 1376 C THR A 83 -5.490 -3.752 1.060 1.00 0.00 C ATOM 1377 O THR A 83 -6.675 -3.428 1.142 1.00 0.00 O ATOM 1378 CB THR A 83 -4.680 -2.861 3.235 1.00 0.00 C ATOM 1379 OG1 THR A 83 -5.015 -1.537 3.645 1.00 0.00 O ATOM 1380 CG2 THR A 83 -3.393 -3.295 3.950 1.00 0.00 C ATOM 0 H THR A 83 -4.841 -0.915 1.589 1.00 0.00 H new ATOM 0 HA THR A 83 -3.430 -3.416 1.581 1.00 0.00 H new ATOM 0 HB THR A 83 -5.526 -3.504 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.190 -1.528 4.609 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.546 -3.259 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.137 -4.312 3.654 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.580 -2.622 3.676 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.118 -4.845 0.365 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.065 -5.605 -0.419 1.00 0.00 C ATOM 1390 C GLU A 84 -5.837 -7.086 -0.243 1.00 0.00 C ATOM 1391 O GLU A 84 -4.698 -7.544 -0.149 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.880 -5.148 -1.901 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.526 -6.025 -2.992 1.00 0.00 C ATOM 1394 CD GLU A 84 -6.480 -5.285 -4.329 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -7.112 -4.198 -4.428 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.817 -5.795 -5.272 1.00 0.00 O ATOM 0 H GLU A 84 -4.165 -5.207 0.341 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.091 -5.424 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.281 -4.139 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.811 -5.087 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.998 -6.975 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.558 -6.255 -2.726 1.00 0.00 H new ATOM 1403 N THR A 85 -6.929 -7.907 -0.218 1.00 0.00 N ATOM 1404 CA THR A 85 -6.877 -9.363 -0.134 1.00 0.00 C ATOM 1405 C THR A 85 -6.812 -9.936 -1.556 1.00 0.00 C ATOM 1406 O THR A 85 -7.777 -9.868 -2.320 1.00 0.00 O ATOM 1407 CB THR A 85 -8.023 -9.956 0.705 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.033 -8.988 0.981 1.00 0.00 O ATOM 1409 CG2 THR A 85 -7.434 -10.405 2.057 1.00 0.00 C ATOM 0 H THR A 85 -7.882 -7.546 -0.258 1.00 0.00 H new ATOM 0 HA THR A 85 -5.975 -9.655 0.403 1.00 0.00 H new ATOM 0 HB THR A 85 -8.468 -10.779 0.146 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.745 -9.401 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.225 -10.831 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.663 -11.156 1.886 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.998 -9.546 2.567 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.640 -10.520 -1.933 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.358 -11.070 -3.249 1.00 0.00 C ATOM 1419 C ARG A 86 -4.631 -12.366 -3.025 1.00 0.00 C ATOM 1420 O ARG A 86 -4.062 -12.614 -1.961 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.496 -10.115 -4.132 1.00 0.00 C ATOM 1422 CG ARG A 86 -5.372 -9.166 -4.971 1.00 0.00 C ATOM 1423 CD ARG A 86 -5.964 -9.820 -6.227 1.00 0.00 C ATOM 1424 NE ARG A 86 -6.726 -8.761 -6.977 1.00 0.00 N ATOM 1425 CZ ARG A 86 -7.234 -8.951 -8.234 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -7.073 -10.140 -8.884 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -7.911 -7.933 -8.843 1.00 0.00 N ATOM 0 H ARG A 86 -4.852 -10.614 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.293 -11.212 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.833 -9.530 -3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.862 -10.705 -4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.186 -8.792 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.776 -8.303 -5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.173 -10.236 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.623 -10.645 -5.955 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.871 -7.857 -6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.568 -10.903 -8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.458 -10.266 -9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.034 -7.042 -8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.294 -8.063 -9.779 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.649 -13.239 -4.064 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.052 -14.572 -4.022 1.00 0.00 C ATOM 1443 C ARG A 87 -2.592 -14.606 -4.481 1.00 0.00 C ATOM 1444 O ARG A 87 -2.298 -14.349 -5.647 1.00 0.00 O ATOM 1445 CB ARG A 87 -4.897 -15.607 -4.800 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.571 -17.063 -4.407 1.00 0.00 C ATOM 1447 CD ARG A 87 -5.504 -18.116 -5.029 1.00 0.00 C ATOM 1448 NE ARG A 87 -6.921 -17.896 -4.557 1.00 0.00 N ATOM 1449 CZ ARG A 87 -7.395 -18.281 -3.329 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -6.604 -18.952 -2.443 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -8.683 -17.981 -2.986 1.00 0.00 N ATOM 0 H ARG A 87 -5.087 -13.022 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.050 -14.851 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.955 -15.415 -4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.728 -15.478 -5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.546 -17.285 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.616 -17.152 -3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.461 -18.055 -6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.171 -19.117 -4.753 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.568 -17.430 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.640 -19.177 -2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.977 -19.229 -1.535 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.281 -17.476 -3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.047 -18.262 -2.076 1.00 0.00 H new ATOM 1465 N ILE A 88 -1.636 -14.925 -3.568 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.199 -14.970 -3.884 1.00 0.00 C ATOM 1467 C ILE A 88 0.418 -16.182 -3.219 1.00 0.00 C ATOM 1468 O ILE A 88 0.265 -16.403 -2.021 1.00 0.00 O ATOM 1469 CB ILE A 88 0.594 -13.694 -3.554 1.00 0.00 C ATOM 1470 CG1 ILE A 88 0.124 -12.998 -2.248 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.535 -12.784 -4.801 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -0.809 -11.796 -2.455 1.00 0.00 C ATOM 0 H ILE A 88 -1.848 -15.156 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.133 -15.044 -4.969 1.00 0.00 H new ATOM 0 HB ILE A 88 1.632 -13.946 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.387 -13.733 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.002 -12.666 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.088 -11.865 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.979 -13.302 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.504 -12.542 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.083 -11.377 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.298 -11.037 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.709 -12.120 -2.978 1.00 0.00 H new ATOM 1484 N GLY A 89 1.086 -17.061 -4.036 1.00 0.00 N ATOM 1485 CA GLY A 89 1.654 -18.377 -3.602 1.00 0.00 C ATOM 1486 C GLY A 89 0.579 -19.420 -3.371 1.00 0.00 C ATOM 1487 O GLY A 89 0.771 -20.390 -2.649 1.00 0.00 O ATOM 0 H GLY A 89 1.245 -16.869 -5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.350 -18.737 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.226 -18.238 -2.684 1.00 0.00 H new ATOM 1491 N GLY A 90 -0.616 -19.168 -3.966 1.00 0.00 N ATOM 1492 CA GLY A 90 -1.857 -19.944 -3.773 1.00 0.00 C ATOM 1493 C GLY A 90 -2.656 -19.572 -2.531 1.00 0.00 C ATOM 1494 O GLY A 90 -3.513 -20.344 -2.110 1.00 0.00 O ATOM 0 H GLY A 90 -0.740 -18.391 -4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.492 -19.812 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.603 -21.003 -3.721 1.00 0.00 H new ATOM 1498 N ALA A 91 -2.413 -18.397 -1.883 1.00 0.00 N ATOM 1499 CA ALA A 91 -3.085 -18.031 -0.648 1.00 0.00 C ATOM 1500 C ALA A 91 -3.480 -16.552 -0.650 1.00 0.00 C ATOM 1501 O ALA A 91 -2.779 -15.696 -1.187 1.00 0.00 O ATOM 1502 CB ALA A 91 -2.152 -18.345 0.541 1.00 0.00 C ATOM 0 H ALA A 91 -1.749 -17.698 -2.216 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.003 -18.611 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.647 -18.074 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.920 -19.410 0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.229 -17.773 0.440 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.649 -16.224 -0.032 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.264 -14.910 0.117 1.00 0.00 C ATOM 1510 C ASP A 92 -4.705 -14.183 1.351 1.00 0.00 C ATOM 1511 O ASP A 92 -4.991 -14.531 2.498 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.813 -15.088 0.223 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.610 -13.786 0.078 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.518 -13.158 -1.009 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.332 -13.424 1.045 1.00 0.00 O ATOM 0 H ASP A 92 -5.220 -16.947 0.406 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.031 -14.296 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.140 -15.788 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.050 -15.540 1.186 1.00 0.00 H new ATOM 1520 N PHE A 93 -3.882 -13.140 1.110 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.205 -12.367 2.130 1.00 0.00 C ATOM 1522 C PHE A 93 -3.624 -10.941 1.940 1.00 0.00 C ATOM 1523 O PHE A 93 -3.956 -10.526 0.827 1.00 0.00 O ATOM 1524 CB PHE A 93 -1.648 -12.441 1.946 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.097 -13.838 2.177 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -1.523 -14.676 3.198 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -0.105 -14.311 1.333 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.022 -15.958 3.324 1.00 0.00 C ATOM 1529 CE2 PHE A 93 0.385 -15.595 1.438 1.00 0.00 C ATOM 1530 CZ PHE A 93 -0.080 -16.427 2.434 1.00 0.00 C ATOM 0 H PHE A 93 -3.675 -12.816 0.165 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.460 -12.753 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.389 -12.115 0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.171 -11.747 2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.258 -14.321 3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.295 -13.656 0.573 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.370 -16.595 4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.131 -15.948 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.291 -17.438 2.516 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.539 -10.111 3.029 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.752 -8.674 2.959 1.00 0.00 C ATOM 1542 C LEU A 94 -2.359 -8.142 2.612 1.00 0.00 C ATOM 1543 O LEU A 94 -1.408 -8.235 3.384 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.306 -8.152 4.311 1.00 0.00 C ATOM 1545 CG LEU A 94 -5.033 -6.790 4.216 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.481 -6.948 3.698 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -5.093 -6.136 5.613 1.00 0.00 C ATOM 0 H LEU A 94 -3.320 -10.446 3.967 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.492 -8.352 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.996 -8.892 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.481 -8.062 5.018 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.473 -6.170 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.958 -5.969 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.465 -7.398 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.043 -7.589 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.606 -5.177 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.635 -6.789 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.081 -5.980 5.986 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.212 -7.662 1.368 1.00 0.00 N ATOM 1560 CA VAL A 95 -0.942 -7.353 0.743 1.00 0.00 C ATOM 1561 C VAL A 95 -1.040 -5.872 0.458 1.00 0.00 C ATOM 1562 O VAL A 95 -2.134 -5.343 0.232 1.00 0.00 O ATOM 1563 CB VAL A 95 -0.768 -8.305 -0.460 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -1.879 -8.188 -1.544 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.626 -8.183 -1.099 1.00 0.00 C ATOM 0 H VAL A 95 -3.009 -7.476 0.759 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.037 -7.517 1.329 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.871 -9.301 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.676 -8.893 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.847 -8.416 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.893 -7.174 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.702 -8.871 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.777 -7.162 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.388 -8.429 -0.359 1.00 0.00 H new ATOM 1575 N TRP A 96 0.093 -5.142 0.501 1.00 0.00 N ATOM 1576 CA TRP A 96 0.045 -3.680 0.290 1.00 0.00 C ATOM 1577 C TRP A 96 0.521 -3.389 -1.139 1.00 0.00 C ATOM 1578 O TRP A 96 1.601 -3.838 -1.537 1.00 0.00 O ATOM 1579 CB TRP A 96 1.070 -3.101 1.306 1.00 0.00 C ATOM 1580 CG TRP A 96 0.537 -2.069 2.267 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.532 -1.235 2.181 1.00 0.00 C ATOM 1582 CD2 TRP A 96 1.164 -1.795 3.518 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.598 -0.433 3.285 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.439 -0.773 4.128 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.248 -2.360 4.104 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.824 -0.270 5.339 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.561 -1.933 5.363 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.911 -0.867 5.949 1.00 0.00 C ATOM 0 H TRP A 96 1.023 -5.524 0.674 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.950 -3.256 0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.485 -3.927 1.884 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.894 -2.657 0.748 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.230 -1.210 1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.294 0.292 3.456 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.836 -3.112 3.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.302 0.557 5.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.337 -2.443 5.914 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.257 -0.492 6.901 1.00 0.00 H new ATOM 1599 N ARG A 97 -0.223 -2.602 -1.966 1.00 0.00 N ATOM 1600 CA ARG A 97 0.243 -2.326 -3.315 1.00 0.00 C ATOM 1601 C ARG A 97 -0.124 -0.920 -3.716 1.00 0.00 C ATOM 1602 O ARG A 97 -1.129 -0.383 -3.243 1.00 0.00 O ATOM 1603 CB ARG A 97 -0.303 -3.315 -4.369 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.796 -3.115 -4.718 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.525 -4.329 -5.309 1.00 0.00 C ATOM 1606 NE ARG A 97 -1.984 -4.647 -6.677 1.00 0.00 N ATOM 1607 CZ ARG A 97 -2.429 -4.062 -7.835 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -3.439 -3.147 -7.822 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -1.842 -4.402 -9.020 1.00 0.00 N ATOM 0 H ARG A 97 -1.113 -2.171 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 97 1.326 -2.447 -3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.287 -3.218 -5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.161 -4.332 -4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.321 -2.808 -3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.874 -2.291 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.403 -5.191 -4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.594 -4.125 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.240 -5.341 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.879 -2.885 -6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.755 -2.724 -8.695 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.083 -5.083 -9.036 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.163 -3.975 -9.889 1.00 0.00 H new ATOM 1623 N TRP A 98 0.702 -0.285 -4.591 1.00 0.00 N ATOM 1624 CA TRP A 98 0.496 1.034 -5.139 1.00 0.00 C ATOM 1625 C TRP A 98 0.471 1.048 -6.642 1.00 0.00 C ATOM 1626 O TRP A 98 1.116 0.253 -7.318 1.00 0.00 O ATOM 1627 CB TRP A 98 1.349 2.119 -4.507 1.00 0.00 C ATOM 1628 CG TRP A 98 1.364 3.480 -5.115 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.441 3.963 -5.736 1.00 0.00 C ATOM 1630 CD2 TRP A 98 0.342 4.488 -5.199 1.00 0.00 C ATOM 1631 NE1 TRP A 98 2.225 5.254 -6.070 1.00 0.00 N ATOM 1632 CE2 TRP A 98 0.935 5.603 -5.764 1.00 0.00 C ATOM 1633 CE3 TRP A 98 -0.963 4.495 -4.832 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 0.259 6.784 -5.900 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 -1.661 5.678 -4.969 1.00 0.00 C ATOM 1636 CH2 TRP A 98 -1.059 6.816 -5.479 1.00 0.00 C ATOM 0 H TRP A 98 1.560 -0.719 -4.932 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.514 1.313 -4.840 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.028 2.226 -3.471 1.00 0.00 H new ATOM 0 HB3 TRP A 98 2.377 1.758 -4.487 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.345 3.408 -5.940 1.00 0.00 H new ATOM 0 HE1 TRP A 98 2.918 5.876 -6.487 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -1.440 3.606 -4.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 0.735 7.658 -6.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -2.699 5.717 -4.672 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -1.622 7.735 -5.549 1.00 0.00 H new ATOM 1647 N ILE A 99 -0.386 1.965 -7.127 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.832 2.244 -8.442 1.00 0.00 C ATOM 1649 C ILE A 99 -0.537 3.722 -8.738 1.00 0.00 C ATOM 1650 O ILE A 99 -1.201 4.621 -8.223 1.00 0.00 O ATOM 1651 CB ILE A 99 -2.347 1.959 -8.339 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -3.099 2.741 -7.185 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.440 0.428 -8.135 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.973 1.895 -6.233 1.00 0.00 C ATOM 0 H ILE A 99 -0.831 2.610 -6.474 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.362 1.667 -9.239 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.852 2.312 -9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.354 3.266 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.732 3.500 -7.644 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.487 0.135 -8.051 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.988 -0.081 -8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.911 0.150 -7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.434 2.544 -5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.751 1.390 -6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.352 1.152 -5.732 1.00 0.00 H new ATOM 1666 N GLN A 100 0.483 4.047 -9.578 1.00 0.00 N ATOM 1667 CA GLN A 100 0.828 5.426 -9.916 1.00 0.00 C ATOM 1668 C GLN A 100 0.043 5.893 -11.178 1.00 0.00 C ATOM 1669 O GLN A 100 0.149 5.199 -12.191 1.00 0.00 O ATOM 1670 CB GLN A 100 2.361 5.626 -10.184 1.00 0.00 C ATOM 1671 CG GLN A 100 2.775 7.093 -10.044 1.00 0.00 C ATOM 1672 CD GLN A 100 2.496 7.902 -11.310 1.00 0.00 C ATOM 1673 OE1 GLN A 100 2.651 7.469 -12.454 1.00 0.00 O ATOM 1674 NE2 GLN A 100 1.944 9.120 -11.090 1.00 0.00 N ATOM 0 H GLN A 100 1.078 3.352 -10.030 1.00 0.00 H new ATOM 0 HA GLN A 100 0.553 6.025 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.935 5.018 -9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.604 5.274 -11.186 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.240 7.540 -9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.838 7.147 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.824 9.461 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.648 9.696 -11.878 1.00 0.00 H new