USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=15 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 20 MET CE :methyl -143:sc= -1.16 (180deg=-2.62!) USER MOD Set 1.2: A 63 MET CE :methyl 156:sc= -1.18 (180deg=-3.13!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -119:sc= 1.25 (180deg=-0.85) USER MOD Single : A 30 SER OG : rot 111:sc= 1.32 USER MOD Single : A 31 HIS : no HE2:sc= 0.523 K(o=0.52,f=-3.8!) USER MOD Single : A 32 ASN : amide:sc= 1.05 K(o=1,f=-0.055) USER MOD Single : A 35 CYS SG : rot -84:sc= -0.906 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.482 F(o=-1.8,f=-0.48) USER MOD Single : A 38 ASN : amide:sc= -0.0667 K(o=-0.067,f=-0.58) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.42) USER MOD Single : A 44 TYR OH : rot 120:sc= -0.311 USER MOD Single : A 45 MET CE :methyl 179:sc= -1.05 (180deg=-1.05) USER MOD Single : A 49 HIS : no HD1:sc= -0.344 K(o=-0.34,f=-3.9!) USER MOD Single : A 53 SER OG : rot -17:sc= 0.361 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) 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+ 171:sc= 0 (180deg=-0.045) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0103 K(o=-0.01,f=-0.73) USER MOD Single : A 79 SER OG : rot 31:sc= 1.27 USER MOD Single : A 83 THR OG1 : rot -26:sc= 0.543 USER MOD Single : A 85 THR OG1 : rot 53:sc= 0.0757 USER MOD Single : A 100 GLN : amide:sc= -2.44! C(o=-2.4!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.439 9.853 16.116 1.00 0.00 N ATOM 285 CA TYR A 18 5.730 10.487 16.385 1.00 0.00 C ATOM 286 C TYR A 18 6.856 9.588 16.888 1.00 0.00 C ATOM 287 O TYR A 18 8.017 9.980 16.841 1.00 0.00 O ATOM 288 CB TYR A 18 5.567 11.773 17.257 1.00 0.00 C ATOM 289 CG TYR A 18 4.504 12.630 16.586 1.00 0.00 C ATOM 290 CD1 TYR A 18 4.826 13.344 15.439 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.169 12.584 16.974 1.00 0.00 C ATOM 292 CE1 TYR A 18 3.840 13.935 14.672 1.00 0.00 C ATOM 293 CE2 TYR A 18 2.185 13.149 16.189 1.00 0.00 C ATOM 294 CZ TYR A 18 2.520 13.811 15.028 1.00 0.00 C ATOM 295 OH TYR A 18 1.520 14.321 14.177 1.00 0.00 O ATOM 0 HA TYR A 18 6.081 10.768 15.392 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.270 11.515 18.274 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.511 12.314 17.328 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.860 13.439 15.143 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.899 12.100 17.901 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.109 14.496 13.789 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.149 13.072 16.485 1.00 0.00 H new ATOM 0 HH TYR A 18 0.638 14.153 14.571 1.00 0.00 H new ATOM 305 N ASP A 19 6.521 8.356 17.369 1.00 0.00 N ATOM 306 CA ASP A 19 7.421 7.277 17.782 1.00 0.00 C ATOM 307 C ASP A 19 7.981 6.520 16.562 1.00 0.00 C ATOM 308 O ASP A 19 8.885 7.018 15.912 1.00 0.00 O ATOM 309 CB ASP A 19 6.723 6.285 18.758 1.00 0.00 C ATOM 310 CG ASP A 19 6.266 7.039 20.010 1.00 0.00 C ATOM 311 OD1 ASP A 19 7.147 7.584 20.729 1.00 0.00 O ATOM 312 OD2 ASP A 19 5.032 7.077 20.263 1.00 0.00 O ATOM 0 H ASP A 19 5.543 8.088 17.480 1.00 0.00 H new ATOM 0 HA ASP A 19 8.252 7.742 18.313 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.868 5.818 18.269 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.410 5.484 19.033 1.00 0.00 H new ATOM 317 N MET A 20 7.465 5.314 16.191 1.00 0.00 N ATOM 318 CA MET A 20 7.891 4.469 15.066 1.00 0.00 C ATOM 319 C MET A 20 7.484 4.845 13.663 1.00 0.00 C ATOM 320 O MET A 20 8.148 4.417 12.725 1.00 0.00 O ATOM 321 CB MET A 20 7.739 2.924 15.293 1.00 0.00 C ATOM 322 CG MET A 20 8.884 2.259 16.066 1.00 0.00 C ATOM 323 SD MET A 20 10.542 2.704 15.435 1.00 0.00 S ATOM 324 CE MET A 20 10.397 2.333 13.653 1.00 0.00 C ATOM 0 H MET A 20 6.694 4.891 16.709 1.00 0.00 H new ATOM 0 HA MET A 20 8.949 4.728 15.098 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.807 2.742 15.829 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.648 2.438 14.322 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.815 2.542 17.116 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.764 1.177 16.019 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.339 1.923 13.289 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.600 1.606 13.496 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.165 3.248 13.108 1.00 0.00 H new ATOM 334 N VAL A 21 6.388 5.589 13.388 1.00 0.00 N ATOM 335 CA VAL A 21 5.998 5.854 11.966 1.00 0.00 C ATOM 336 C VAL A 21 6.900 6.792 11.173 1.00 0.00 C ATOM 337 O VAL A 21 7.043 6.612 9.968 1.00 0.00 O ATOM 338 CB VAL A 21 4.495 6.048 11.712 1.00 0.00 C ATOM 339 CG1 VAL A 21 3.673 5.314 12.806 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.097 7.542 11.586 1.00 0.00 C ATOM 0 H VAL A 21 5.776 6.004 14.090 1.00 0.00 H new ATOM 0 HA VAL A 21 6.214 4.886 11.514 1.00 0.00 H new ATOM 0 HB VAL A 21 4.260 5.602 10.746 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.609 5.457 12.618 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.906 4.249 12.783 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.926 5.720 13.785 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.025 7.619 11.407 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.350 8.065 12.508 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.637 7.993 10.754 1.00 0.00 H new ATOM 350 N VAL A 22 7.533 7.811 11.826 1.00 0.00 N ATOM 351 CA VAL A 22 8.423 8.827 11.239 1.00 0.00 C ATOM 352 C VAL A 22 9.607 8.343 10.368 1.00 0.00 C ATOM 353 O VAL A 22 9.935 8.999 9.384 1.00 0.00 O ATOM 354 CB VAL A 22 8.841 9.908 12.246 1.00 0.00 C ATOM 355 CG1 VAL A 22 7.662 10.888 12.422 1.00 0.00 C ATOM 356 CG2 VAL A 22 9.250 9.324 13.612 1.00 0.00 C ATOM 0 H VAL A 22 7.421 7.942 12.831 1.00 0.00 H new ATOM 0 HA VAL A 22 7.767 9.279 10.495 1.00 0.00 H new ATOM 0 HB VAL A 22 9.720 10.419 11.853 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.938 11.665 13.135 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.422 11.345 11.462 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.792 10.347 12.794 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.536 10.134 14.283 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.410 8.777 14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.094 8.647 13.480 1.00 0.00 H new ATOM 366 N LYS A 23 10.258 7.166 10.637 1.00 0.00 N ATOM 367 CA LYS A 23 11.239 6.535 9.738 1.00 0.00 C ATOM 368 C LYS A 23 10.580 5.889 8.518 1.00 0.00 C ATOM 369 O LYS A 23 10.958 6.116 7.374 1.00 0.00 O ATOM 370 CB LYS A 23 12.078 5.445 10.456 1.00 0.00 C ATOM 371 CG LYS A 23 13.051 5.950 11.535 1.00 0.00 C ATOM 372 CD LYS A 23 12.450 6.672 12.752 1.00 0.00 C ATOM 373 CE LYS A 23 11.335 5.873 13.437 1.00 0.00 C ATOM 374 NZ LYS A 23 11.346 6.153 14.885 1.00 0.00 N ATOM 0 H LYS A 23 10.104 6.637 11.495 1.00 0.00 H new ATOM 0 HA LYS A 23 11.889 7.349 9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.394 4.731 10.916 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.650 4.900 9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.622 5.096 11.899 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.760 6.627 11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.241 6.873 13.475 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.055 7.637 12.435 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.368 6.140 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.477 4.807 13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.523 5.272 15.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.097 6.840 15.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.426 6.545 15.170 1.00 0.00 H new ATOM 388 N ILE A 24 9.517 5.080 8.775 1.00 0.00 N ATOM 389 CA ILE A 24 8.673 4.330 7.829 1.00 0.00 C ATOM 390 C ILE A 24 8.005 5.128 6.720 1.00 0.00 C ATOM 391 O ILE A 24 7.956 4.657 5.588 1.00 0.00 O ATOM 392 CB ILE A 24 7.881 3.201 8.489 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.896 2.006 8.549 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.512 2.895 7.776 1.00 0.00 C ATOM 395 CD1 ILE A 24 8.488 0.879 9.473 1.00 0.00 C ATOM 0 H ILE A 24 9.209 4.929 9.736 1.00 0.00 H new ATOM 0 HA ILE A 24 9.377 3.789 7.197 1.00 0.00 H new ATOM 0 HB ILE A 24 7.533 3.458 9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.025 1.605 7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.867 2.386 8.868 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.004 2.084 8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.885 3.787 7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.697 2.602 6.743 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.248 0.098 9.451 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.388 1.260 10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.534 0.467 9.145 1.00 0.00 H new ATOM 407 N ILE A 25 7.566 6.400 6.953 1.00 0.00 N ATOM 408 CA ILE A 25 7.060 7.340 5.917 1.00 0.00 C ATOM 409 C ILE A 25 8.024 7.545 4.721 1.00 0.00 C ATOM 410 O ILE A 25 7.614 7.734 3.574 1.00 0.00 O ATOM 411 CB ILE A 25 6.508 8.658 6.475 1.00 0.00 C ATOM 412 CG1 ILE A 25 7.588 9.501 7.191 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.325 8.304 7.402 1.00 0.00 C ATOM 414 CD1 ILE A 25 7.041 10.699 7.978 1.00 0.00 C ATOM 0 H ILE A 25 7.556 6.805 7.889 1.00 0.00 H new ATOM 0 HA ILE A 25 6.194 6.823 5.502 1.00 0.00 H new ATOM 0 HB ILE A 25 6.166 9.293 5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.141 8.856 7.874 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.299 9.864 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.904 9.218 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.559 7.780 6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.676 7.663 8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.867 11.233 8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.514 11.370 7.300 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.353 10.346 8.747 1.00 0.00 H new ATOM 426 N ASP A 26 9.362 7.409 4.993 1.00 0.00 N ATOM 427 CA ASP A 26 10.440 7.378 4.014 1.00 0.00 C ATOM 428 C ASP A 26 10.470 6.130 3.104 1.00 0.00 C ATOM 429 O ASP A 26 10.890 6.298 1.962 1.00 0.00 O ATOM 430 CB ASP A 26 11.830 7.641 4.678 1.00 0.00 C ATOM 431 CG ASP A 26 12.889 8.156 3.690 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.659 9.238 3.087 1.00 0.00 O ATOM 433 OD2 ASP A 26 13.935 7.472 3.532 1.00 0.00 O ATOM 0 H ASP A 26 9.706 7.316 5.949 1.00 0.00 H new ATOM 0 HA ASP A 26 10.215 8.202 3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.709 8.368 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.187 6.718 5.134 1.00 0.00 H new ATOM 438 N VAL A 27 9.988 4.879 3.490 1.00 0.00 N ATOM 439 CA VAL A 27 9.873 3.689 2.611 1.00 0.00 C ATOM 440 C VAL A 27 8.929 3.918 1.436 1.00 0.00 C ATOM 441 O VAL A 27 9.333 3.725 0.296 1.00 0.00 O ATOM 442 CB VAL A 27 9.549 2.271 3.185 1.00 0.00 C ATOM 443 CG1 VAL A 27 10.549 1.742 4.214 1.00 0.00 C ATOM 444 CG2 VAL A 27 8.133 2.047 3.730 1.00 0.00 C ATOM 0 H VAL A 27 9.670 4.694 4.441 1.00 0.00 H new ATOM 0 HA VAL A 27 10.928 3.625 2.345 1.00 0.00 H new ATOM 0 HB VAL A 27 9.636 1.693 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.236 0.754 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.537 1.674 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.587 2.420 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.042 1.025 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.943 2.744 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.406 2.214 2.935 1.00 0.00 H new ATOM 454 N LEU A 28 7.643 4.363 1.617 1.00 0.00 N ATOM 455 CA LEU A 28 6.716 4.575 0.491 1.00 0.00 C ATOM 456 C LEU A 28 7.058 5.750 -0.421 1.00 0.00 C ATOM 457 O LEU A 28 7.242 5.477 -1.605 1.00 0.00 O ATOM 458 CB LEU A 28 5.204 4.678 0.883 1.00 0.00 C ATOM 459 CG LEU A 28 4.600 3.458 1.625 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.085 2.121 1.065 1.00 0.00 C ATOM 461 CD2 LEU A 28 4.863 3.473 3.134 1.00 0.00 C ATOM 0 H LEU A 28 7.243 4.576 2.531 1.00 0.00 H new ATOM 0 HA LEU A 28 6.867 3.650 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.073 5.559 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.626 4.846 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 28 3.528 3.553 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.628 1.305 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.804 2.043 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.170 2.061 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.413 2.591 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.938 3.468 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.426 4.371 3.571 1.00 0.00 H new ATOM 473 N ARG A 29 7.266 7.005 0.117 1.00 0.00 N ATOM 474 CA ARG A 29 7.697 8.293 -0.516 1.00 0.00 C ATOM 475 C ARG A 29 8.968 8.248 -1.376 1.00 0.00 C ATOM 476 O ARG A 29 9.159 9.042 -2.286 1.00 0.00 O ATOM 477 CB ARG A 29 7.877 9.334 0.628 1.00 0.00 C ATOM 478 CG ARG A 29 8.246 10.781 0.235 1.00 0.00 C ATOM 479 CD ARG A 29 8.320 11.713 1.457 1.00 0.00 C ATOM 480 NE ARG A 29 8.731 13.096 1.017 1.00 0.00 N ATOM 481 CZ ARG A 29 10.034 13.498 0.868 1.00 0.00 C ATOM 482 NH1 ARG A 29 11.070 12.648 1.124 1.00 0.00 N ATOM 483 NH2 ARG A 29 10.295 14.774 0.456 1.00 0.00 N ATOM 0 H ARG A 29 7.117 7.144 1.116 1.00 0.00 H new ATOM 0 HA ARG A 29 6.915 8.556 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.949 9.368 1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.650 8.962 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.207 10.782 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.507 11.165 -0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.352 11.752 1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.036 11.323 2.181 1.00 0.00 H new ATOM 0 HE ARG A 29 7.995 13.774 0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.883 11.694 1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.032 12.967 1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.525 15.415 0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.259 15.086 0.341 1.00 0.00 H new ATOM 497 N SER A 30 9.874 7.313 -1.045 1.00 0.00 N ATOM 498 CA SER A 30 11.187 7.016 -1.662 1.00 0.00 C ATOM 499 C SER A 30 11.085 6.241 -2.938 1.00 0.00 C ATOM 500 O SER A 30 11.650 6.664 -3.941 1.00 0.00 O ATOM 501 CB SER A 30 12.197 6.291 -0.739 1.00 0.00 C ATOM 502 OG SER A 30 12.624 7.188 0.274 1.00 0.00 O ATOM 0 H SER A 30 9.692 6.683 -0.264 1.00 0.00 H new ATOM 0 HA SER A 30 11.572 8.015 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.734 5.411 -0.292 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.052 5.942 -1.318 1.00 0.00 H new ATOM 0 HG SER A 30 12.266 6.899 1.139 1.00 0.00 H new ATOM 508 N HIS A 31 10.297 5.109 -2.970 1.00 0.00 N ATOM 509 CA HIS A 31 9.971 4.350 -4.188 1.00 0.00 C ATOM 510 C HIS A 31 9.147 5.230 -5.163 1.00 0.00 C ATOM 511 O HIS A 31 9.395 5.301 -6.362 1.00 0.00 O ATOM 512 CB HIS A 31 9.109 3.111 -3.847 1.00 0.00 C ATOM 513 CG HIS A 31 9.594 2.041 -2.908 1.00 0.00 C ATOM 514 ND1 HIS A 31 9.098 1.919 -1.626 1.00 0.00 N ATOM 515 CD2 HIS A 31 10.109 0.817 -3.209 1.00 0.00 C ATOM 516 CE1 HIS A 31 9.306 0.643 -1.236 1.00 0.00 C ATOM 517 NE2 HIS A 31 9.919 -0.060 -2.154 1.00 0.00 N ATOM 0 H HIS A 31 9.877 4.712 -2.130 1.00 0.00 H new ATOM 0 HA HIS A 31 10.913 4.043 -4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.168 3.484 -3.441 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.876 2.619 -4.792 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.656 2.656 -1.076 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.597 0.566 -4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.002 0.248 -0.278 1.00 0.00 H new ATOM 525 N ASN A 32 8.201 6.000 -4.550 1.00 0.00 N ATOM 526 CA ASN A 32 7.289 7.034 -5.018 1.00 0.00 C ATOM 527 C ASN A 32 7.903 8.197 -5.798 1.00 0.00 C ATOM 528 O ASN A 32 7.309 8.764 -6.707 1.00 0.00 O ATOM 529 CB ASN A 32 6.512 7.518 -3.781 1.00 0.00 C ATOM 530 CG ASN A 32 5.104 6.942 -3.781 1.00 0.00 C ATOM 531 OD1 ASN A 32 4.194 7.439 -4.443 1.00 0.00 O ATOM 532 ND2 ASN A 32 4.961 5.793 -3.073 1.00 0.00 N ATOM 0 H ASN A 32 8.057 5.867 -3.549 1.00 0.00 H new ATOM 0 HA ASN A 32 6.646 6.585 -5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.035 7.216 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.466 8.607 -3.775 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.068 5.301 -3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.747 5.422 -2.539 1.00 0.00 H new ATOM 539 N GLU A 33 9.167 8.538 -5.471 1.00 0.00 N ATOM 540 CA GLU A 33 10.016 9.508 -6.154 1.00 0.00 C ATOM 541 C GLU A 33 10.518 9.050 -7.513 1.00 0.00 C ATOM 542 O GLU A 33 10.417 9.806 -8.464 1.00 0.00 O ATOM 543 CB GLU A 33 11.147 9.935 -5.181 1.00 0.00 C ATOM 544 CG GLU A 33 10.682 11.044 -4.227 1.00 0.00 C ATOM 545 CD GLU A 33 10.641 12.394 -4.939 1.00 0.00 C ATOM 546 OE1 GLU A 33 11.713 12.845 -5.423 1.00 0.00 O ATOM 547 OE2 GLU A 33 9.535 12.997 -5.003 1.00 0.00 O ATOM 0 H GLU A 33 9.640 8.112 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 33 9.414 10.380 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.476 9.071 -4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.008 10.283 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.693 10.803 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.356 11.100 -3.372 1.00 0.00 H new ATOM 554 N ALA A 34 10.966 7.771 -7.609 1.00 0.00 N ATOM 555 CA ALA A 34 11.400 6.958 -8.759 1.00 0.00 C ATOM 556 C ALA A 34 10.282 6.523 -9.686 1.00 0.00 C ATOM 557 O ALA A 34 10.472 6.142 -10.841 1.00 0.00 O ATOM 558 CB ALA A 34 12.244 5.756 -8.282 1.00 0.00 C ATOM 0 H ALA A 34 11.038 7.216 -6.756 1.00 0.00 H new ATOM 0 HA ALA A 34 12.020 7.614 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.556 5.166 -9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.125 6.118 -7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.647 5.135 -7.614 1.00 0.00 H new ATOM 564 N CYS A 35 9.076 6.502 -9.077 1.00 0.00 N ATOM 565 CA CYS A 35 7.740 6.057 -9.485 1.00 0.00 C ATOM 566 C CYS A 35 7.219 6.771 -10.671 1.00 0.00 C ATOM 567 O CYS A 35 6.550 6.197 -11.524 1.00 0.00 O ATOM 568 CB CYS A 35 6.768 5.892 -8.278 1.00 0.00 C ATOM 569 SG CYS A 35 5.346 7.044 -8.056 1.00 0.00 S ATOM 0 H CYS A 35 9.021 6.862 -8.124 1.00 0.00 H new ATOM 0 HA CYS A 35 7.837 5.038 -9.861 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.359 4.883 -8.330 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.370 5.946 -7.371 1.00 0.00 H new ATOM 0 HG CYS A 35 5.748 8.117 -7.442 1.00 0.00 H new ATOM 575 N GLN A 36 7.683 8.045 -10.776 1.00 0.00 N ATOM 576 CA GLN A 36 7.545 8.999 -11.848 1.00 0.00 C ATOM 577 C GLN A 36 7.954 8.505 -13.242 1.00 0.00 C ATOM 578 O GLN A 36 7.722 9.156 -14.255 1.00 0.00 O ATOM 579 CB GLN A 36 8.375 10.236 -11.417 1.00 0.00 C ATOM 580 CG GLN A 36 9.806 10.452 -12.011 1.00 0.00 C ATOM 581 CD GLN A 36 11.028 9.533 -11.792 1.00 0.00 C ATOM 582 OE1 GLN A 36 11.510 8.920 -12.902 1.00 0.00 O flip ATOM 583 NE2 GLN A 36 11.684 9.483 -10.759 1.00 0.00 N flip ATOM 0 H GLN A 36 8.221 8.449 -10.009 1.00 0.00 H new ATOM 0 HA GLN A 36 6.486 9.219 -11.981 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.786 11.122 -11.654 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.474 10.200 -10.332 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.671 10.510 -13.091 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.118 11.441 -11.676 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.339 9.937 -9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.575 8.987 -10.744 1.00 0.00 H new ATOM 592 N GLU A 37 8.650 7.351 -13.264 1.00 0.00 N ATOM 593 CA GLU A 37 9.187 6.680 -14.430 1.00 0.00 C ATOM 594 C GLU A 37 8.292 5.583 -14.944 1.00 0.00 C ATOM 595 O GLU A 37 8.273 5.273 -16.130 1.00 0.00 O ATOM 596 CB GLU A 37 10.494 5.941 -13.997 1.00 0.00 C ATOM 597 CG GLU A 37 11.281 5.150 -15.066 1.00 0.00 C ATOM 598 CD GLU A 37 11.911 6.101 -16.078 1.00 0.00 C ATOM 599 OE1 GLU A 37 12.748 6.944 -15.659 1.00 0.00 O ATOM 600 OE2 GLU A 37 11.564 5.998 -17.286 1.00 0.00 O ATOM 0 H GLU A 37 8.857 6.843 -12.404 1.00 0.00 H new ATOM 0 HA GLU A 37 9.320 7.444 -15.196 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.169 6.683 -13.570 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.234 5.248 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.057 4.553 -14.587 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.614 4.455 -15.577 1.00 0.00 H new ATOM 607 N ASN A 38 7.675 4.866 -13.981 1.00 0.00 N ATOM 608 CA ASN A 38 7.179 3.528 -14.198 1.00 0.00 C ATOM 609 C ASN A 38 5.721 3.417 -13.929 1.00 0.00 C ATOM 610 O ASN A 38 5.067 4.369 -13.525 1.00 0.00 O ATOM 611 CB ASN A 38 7.975 2.623 -13.216 1.00 0.00 C ATOM 612 CG ASN A 38 9.370 2.435 -13.789 1.00 0.00 C ATOM 613 OD1 ASN A 38 9.507 2.122 -14.969 1.00 0.00 O ATOM 614 ND2 ASN A 38 10.440 2.609 -12.974 1.00 0.00 N ATOM 0 H ASN A 38 7.516 5.216 -13.036 1.00 0.00 H new ATOM 0 HA ASN A 38 7.314 3.236 -15.239 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.026 3.082 -12.229 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.478 1.660 -13.095 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.384 2.480 -13.337 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.300 2.869 -11.998 1.00 0.00 H new ATOM 621 N LYS A 39 5.168 2.189 -14.120 1.00 0.00 N ATOM 622 CA LYS A 39 3.764 1.894 -13.907 1.00 0.00 C ATOM 623 C LYS A 39 3.457 1.575 -12.459 1.00 0.00 C ATOM 624 O LYS A 39 2.709 2.277 -11.795 1.00 0.00 O ATOM 625 CB LYS A 39 3.243 0.830 -14.932 1.00 0.00 C ATOM 626 CG LYS A 39 3.887 -0.586 -14.959 1.00 0.00 C ATOM 627 CD LYS A 39 3.209 -1.589 -14.002 1.00 0.00 C ATOM 628 CE LYS A 39 2.438 -2.709 -14.707 1.00 0.00 C ATOM 629 NZ LYS A 39 1.774 -3.588 -13.717 1.00 0.00 N ATOM 0 H LYS A 39 5.709 1.381 -14.430 1.00 0.00 H new ATOM 0 HA LYS A 39 3.193 2.800 -14.112 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.175 0.700 -14.754 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.350 1.257 -15.929 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.841 -0.978 -15.975 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.942 -0.502 -14.697 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.971 -2.035 -13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.524 -1.046 -13.351 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.693 -2.279 -15.377 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.120 -3.296 -15.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.256 -4.341 -14.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.490 -4.013 -13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.108 -3.028 -13.147 1.00 0.00 H new ATOM 643 N ASP A 40 4.031 0.480 -11.955 1.00 0.00 N ATOM 644 CA ASP A 40 3.983 -0.031 -10.612 1.00 0.00 C ATOM 645 C ASP A 40 5.374 -0.712 -10.614 1.00 0.00 C ATOM 646 O ASP A 40 5.455 -1.890 -10.949 1.00 0.00 O ATOM 647 CB ASP A 40 2.783 -1.052 -10.373 1.00 0.00 C ATOM 648 CG ASP A 40 1.305 -0.627 -10.573 1.00 0.00 C ATOM 649 OD1 ASP A 40 0.958 -0.006 -11.607 1.00 0.00 O ATOM 650 OD2 ASP A 40 0.480 -1.041 -9.714 1.00 0.00 O ATOM 0 H ASP A 40 4.596 -0.123 -12.553 1.00 0.00 H new ATOM 0 HA ASP A 40 3.803 0.698 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.958 -1.906 -11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.873 -1.412 -9.348 1.00 0.00 H new ATOM 655 N LEU A 41 6.514 0.000 -10.300 1.00 0.00 N ATOM 656 CA LEU A 41 7.946 -0.441 -10.330 1.00 0.00 C ATOM 657 C LEU A 41 8.334 -1.669 -9.510 1.00 0.00 C ATOM 658 O LEU A 41 9.045 -2.571 -9.945 1.00 0.00 O ATOM 659 CB LEU A 41 9.005 0.692 -10.126 1.00 0.00 C ATOM 660 CG LEU A 41 9.114 1.393 -8.751 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.190 0.823 -7.828 1.00 0.00 C ATOM 662 CD2 LEU A 41 9.410 2.875 -8.962 1.00 0.00 C ATOM 0 H LEU A 41 6.441 0.971 -9.997 1.00 0.00 H new ATOM 0 HA LEU A 41 7.983 -0.765 -11.370 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.983 0.270 -10.356 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.807 1.463 -10.871 1.00 0.00 H new ATOM 0 HG LEU A 41 8.155 1.225 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.194 1.376 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.980 -0.228 -7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.165 0.914 -8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.487 3.372 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.350 2.985 -9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.604 3.328 -9.539 1.00 0.00 H new ATOM 674 N GLN A 42 7.843 -1.647 -8.264 1.00 0.00 N ATOM 675 CA GLN A 42 7.860 -2.508 -7.096 1.00 0.00 C ATOM 676 C GLN A 42 6.558 -3.272 -6.952 1.00 0.00 C ATOM 677 O GLN A 42 6.114 -3.354 -5.808 1.00 0.00 O ATOM 678 CB GLN A 42 8.252 -1.700 -5.822 1.00 0.00 C ATOM 679 CG GLN A 42 8.581 -2.489 -4.532 1.00 0.00 C ATOM 680 CD GLN A 42 9.136 -3.869 -4.869 1.00 0.00 C ATOM 681 OE1 GLN A 42 10.209 -4.030 -5.454 1.00 0.00 O ATOM 682 NE2 GLN A 42 8.344 -4.921 -4.531 1.00 0.00 N ATOM 0 H GLN A 42 7.300 -0.820 -8.015 1.00 0.00 H new ATOM 0 HA GLN A 42 8.632 -3.266 -7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.119 -1.088 -6.069 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.434 -1.017 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.307 -1.935 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.682 -2.592 -3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.461 -4.760 -4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.633 -5.872 -4.761 1.00 0.00 H new ATOM 691 N PRO A 43 5.824 -3.779 -7.985 1.00 0.00 N ATOM 692 CA PRO A 43 4.366 -3.823 -8.118 1.00 0.00 C ATOM 693 C PRO A 43 3.526 -4.195 -6.900 1.00 0.00 C ATOM 694 O PRO A 43 2.530 -3.517 -6.710 1.00 0.00 O ATOM 695 CB PRO A 43 4.120 -4.782 -9.319 1.00 0.00 C ATOM 696 CG PRO A 43 5.468 -5.455 -9.598 1.00 0.00 C ATOM 697 CD PRO A 43 6.454 -4.375 -9.166 1.00 0.00 C ATOM 0 HA PRO A 43 4.013 -2.802 -8.263 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.356 -5.521 -9.079 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.769 -4.233 -10.193 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.592 -6.374 -9.025 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.584 -5.717 -10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.431 -4.797 -8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.608 -3.636 -9.953 1.00 0.00 H new ATOM 705 N TYR A 44 3.944 -5.203 -6.095 1.00 0.00 N ATOM 706 CA TYR A 44 3.268 -5.837 -5.000 1.00 0.00 C ATOM 707 C TYR A 44 4.252 -6.178 -3.863 1.00 0.00 C ATOM 708 O TYR A 44 5.334 -6.695 -4.141 1.00 0.00 O ATOM 709 CB TYR A 44 2.769 -7.093 -5.769 1.00 0.00 C ATOM 710 CG TYR A 44 1.887 -8.075 -5.045 1.00 0.00 C ATOM 711 CD1 TYR A 44 2.453 -9.155 -4.386 1.00 0.00 C ATOM 712 CD2 TYR A 44 0.508 -7.995 -5.141 1.00 0.00 C ATOM 713 CE1 TYR A 44 1.655 -10.181 -3.913 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.281 -9.029 -4.695 1.00 0.00 C ATOM 715 CZ TYR A 44 0.286 -10.127 -4.090 1.00 0.00 C ATOM 716 OH TYR A 44 -0.568 -11.144 -3.621 1.00 0.00 O ATOM 0 H TYR A 44 4.866 -5.616 -6.236 1.00 0.00 H new ATOM 0 HA TYR A 44 2.495 -5.262 -4.490 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.228 -6.749 -6.650 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.646 -7.634 -6.124 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.522 -9.196 -4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.050 -7.116 -5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.102 -11.023 -3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.353 -8.979 -4.820 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.205 -10.766 -2.980 1.00 0.00 H new ATOM 726 N MET A 45 3.867 -5.944 -2.565 1.00 0.00 N ATOM 727 CA MET A 45 4.621 -6.282 -1.346 1.00 0.00 C ATOM 728 C MET A 45 3.649 -6.728 -0.222 1.00 0.00 C ATOM 729 O MET A 45 2.466 -6.380 -0.280 1.00 0.00 O ATOM 730 CB MET A 45 5.617 -5.174 -0.799 1.00 0.00 C ATOM 731 CG MET A 45 5.646 -3.733 -1.369 1.00 0.00 C ATOM 732 SD MET A 45 4.341 -2.609 -0.781 1.00 0.00 S ATOM 733 CE MET A 45 5.389 -1.141 -0.510 1.00 0.00 C ATOM 0 H MET A 45 2.978 -5.493 -2.350 1.00 0.00 H new ATOM 0 HA MET A 45 5.273 -7.099 -1.654 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.428 -5.084 0.271 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.624 -5.575 -0.912 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.613 -3.290 -1.130 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.582 -3.793 -2.455 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.772 -0.314 -0.158 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.150 -1.370 0.237 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.872 -0.861 -1.446 1.00 0.00 H new ATOM 743 N PRO A 46 4.042 -7.514 0.836 1.00 0.00 N ATOM 744 CA PRO A 46 3.205 -7.829 2.014 1.00 0.00 C ATOM 745 C PRO A 46 3.107 -6.625 2.979 1.00 0.00 C ATOM 746 O PRO A 46 3.867 -5.663 2.860 1.00 0.00 O ATOM 747 CB PRO A 46 4.035 -8.948 2.701 1.00 0.00 C ATOM 748 CG PRO A 46 5.495 -8.556 2.435 1.00 0.00 C ATOM 749 CD PRO A 46 5.381 -8.112 0.964 1.00 0.00 C ATOM 0 HA PRO A 46 2.182 -8.097 1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.825 -8.999 3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.804 -9.928 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.838 -7.754 3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.183 -9.391 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.158 -7.391 0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.499 -8.959 0.288 1.00 0.00 H new ATOM 757 N ILE A 47 2.221 -6.684 4.018 1.00 0.00 N ATOM 758 CA ILE A 47 2.055 -5.640 5.069 1.00 0.00 C ATOM 759 C ILE A 47 3.351 -5.456 5.913 1.00 0.00 C ATOM 760 O ILE A 47 3.848 -4.335 6.035 1.00 0.00 O ATOM 761 CB ILE A 47 0.717 -5.729 5.844 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.451 -5.634 4.821 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.602 -4.626 6.930 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.863 -5.733 5.427 1.00 0.00 C ATOM 0 H ILE A 47 1.591 -7.476 4.148 1.00 0.00 H new ATOM 0 HA ILE A 47 1.936 -4.682 4.564 1.00 0.00 H new ATOM 0 HB ILE A 47 0.672 -6.682 6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.368 -4.688 4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.333 -6.428 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.351 -4.725 7.449 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.418 -4.733 7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.658 -3.645 6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.606 -5.656 4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.974 -6.690 5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.010 -4.923 6.141 1.00 0.00 H new ATOM 776 N PRO A 48 3.977 -6.507 6.494 1.00 0.00 N ATOM 777 CA PRO A 48 5.334 -6.513 7.029 1.00 0.00 C ATOM 778 C PRO A 48 6.512 -6.086 6.129 1.00 0.00 C ATOM 779 O PRO A 48 7.530 -5.865 6.746 1.00 0.00 O ATOM 780 CB PRO A 48 5.564 -7.817 7.808 1.00 0.00 C ATOM 781 CG PRO A 48 4.162 -8.436 7.899 1.00 0.00 C ATOM 782 CD PRO A 48 3.349 -7.802 6.749 1.00 0.00 C ATOM 0 HA PRO A 48 5.360 -5.654 7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.260 -8.476 7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.982 -7.625 8.796 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.205 -9.520 7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.703 -8.226 8.865 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.372 -8.431 5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.302 -7.682 7.028 1.00 0.00 H new ATOM 790 N HIS A 49 6.530 -6.016 4.743 1.00 0.00 N ATOM 791 CA HIS A 49 7.737 -5.636 3.922 1.00 0.00 C ATOM 792 C HIS A 49 8.267 -4.257 4.230 1.00 0.00 C ATOM 793 O HIS A 49 9.453 -4.037 4.441 1.00 0.00 O ATOM 794 CB HIS A 49 7.510 -5.624 2.347 1.00 0.00 C ATOM 795 CG HIS A 49 8.382 -4.726 1.423 1.00 0.00 C ATOM 796 ND1 HIS A 49 8.241 -3.348 1.345 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.558 -4.993 0.784 1.00 0.00 C ATOM 798 CE1 HIS A 49 9.346 -2.856 0.737 1.00 0.00 C ATOM 799 NE2 HIS A 49 10.164 -3.818 0.355 1.00 0.00 N ATOM 0 H HIS A 49 5.709 -6.222 4.174 1.00 0.00 H new ATOM 0 HA HIS A 49 8.434 -6.424 4.206 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.627 -6.650 1.999 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.470 -5.346 2.175 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.963 -5.983 0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.535 -1.804 0.583 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.047 -3.721 -0.145 1.00 0.00 H new ATOM 807 N VAL A 50 7.308 -3.300 4.253 1.00 0.00 N ATOM 808 CA VAL A 50 7.443 -1.861 4.534 1.00 0.00 C ATOM 809 C VAL A 50 7.792 -1.642 5.996 1.00 0.00 C ATOM 810 O VAL A 50 8.619 -0.804 6.346 1.00 0.00 O ATOM 811 CB VAL A 50 6.273 -1.037 3.936 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.385 -1.851 2.968 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.428 -0.292 4.985 1.00 0.00 C ATOM 0 H VAL A 50 6.337 -3.543 4.057 1.00 0.00 H new ATOM 0 HA VAL A 50 8.296 -1.443 4.000 1.00 0.00 H new ATOM 0 HB VAL A 50 6.768 -0.267 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.586 -1.216 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.990 -2.213 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.952 -2.699 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.632 0.260 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.992 -1.011 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.062 0.404 5.535 1.00 0.00 H new ATOM 823 N ARG A 51 7.260 -2.531 6.875 1.00 0.00 N ATOM 824 CA ARG A 51 7.714 -2.722 8.222 1.00 0.00 C ATOM 825 C ARG A 51 9.107 -3.400 8.288 1.00 0.00 C ATOM 826 O ARG A 51 9.925 -2.890 9.020 1.00 0.00 O ATOM 827 CB ARG A 51 6.590 -3.351 9.094 1.00 0.00 C ATOM 828 CG ARG A 51 6.668 -3.111 10.616 1.00 0.00 C ATOM 829 CD ARG A 51 7.015 -1.652 10.995 1.00 0.00 C ATOM 830 NE ARG A 51 7.154 -1.454 12.476 1.00 0.00 N ATOM 831 CZ ARG A 51 7.109 -0.223 13.079 1.00 0.00 C ATOM 832 NH1 ARG A 51 7.115 0.927 12.352 1.00 0.00 N ATOM 833 NH2 ARG A 51 6.987 -0.131 14.431 1.00 0.00 N ATOM 0 H ARG A 51 6.480 -3.140 6.629 1.00 0.00 H new ATOM 0 HA ARG A 51 7.907 -1.753 8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.632 -2.969 8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.588 -4.427 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.712 -3.377 11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.418 -3.777 11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.946 -1.366 10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.238 -0.988 10.615 1.00 0.00 H new ATOM 0 HE ARG A 51 7.289 -2.277 13.064 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.154 0.886 11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.081 1.830 12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.929 -0.978 14.997 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.954 0.785 14.879 1.00 0.00 H new ATOM 847 N ASP A 52 9.546 -4.434 7.478 1.00 0.00 N ATOM 848 CA ASP A 52 10.836 -5.191 7.522 1.00 0.00 C ATOM 849 C ASP A 52 12.151 -4.369 7.496 1.00 0.00 C ATOM 850 O ASP A 52 13.230 -4.869 7.779 1.00 0.00 O ATOM 851 CB ASP A 52 10.875 -6.283 6.400 1.00 0.00 C ATOM 852 CG ASP A 52 11.759 -7.489 6.746 1.00 0.00 C ATOM 853 OD1 ASP A 52 11.383 -8.240 7.684 1.00 0.00 O ATOM 854 OD2 ASP A 52 12.809 -7.675 6.074 1.00 0.00 O ATOM 0 H ASP A 52 8.952 -4.777 6.723 1.00 0.00 H new ATOM 0 HA ASP A 52 10.822 -5.633 8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.860 -6.631 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.237 -5.831 5.477 1.00 0.00 H new ATOM 859 N SER A 53 11.943 -3.078 7.160 1.00 0.00 N ATOM 860 CA SER A 53 12.690 -1.840 7.129 1.00 0.00 C ATOM 861 C SER A 53 12.875 -1.158 8.504 1.00 0.00 C ATOM 862 O SER A 53 13.683 -0.231 8.575 1.00 0.00 O ATOM 863 CB SER A 53 11.903 -0.818 6.275 1.00 0.00 C ATOM 864 OG SER A 53 12.539 0.460 6.113 1.00 0.00 O ATOM 0 H SER A 53 11.005 -2.859 6.825 1.00 0.00 H new ATOM 0 HA SER A 53 13.673 -2.107 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.731 -1.248 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.925 -0.664 6.731 1.00 0.00 H new ATOM 0 HG SER A 53 13.236 0.567 6.794 1.00 0.00 H new ATOM 870 N LEU A 54 12.096 -1.505 9.604 1.00 0.00 N ATOM 871 CA LEU A 54 12.048 -0.796 10.908 1.00 0.00 C ATOM 872 C LEU A 54 13.377 -0.968 11.629 1.00 0.00 C ATOM 873 O LEU A 54 13.824 -0.097 12.367 1.00 0.00 O ATOM 874 CB LEU A 54 10.850 -1.116 11.934 1.00 0.00 C ATOM 875 CG LEU A 54 10.425 -2.491 12.585 1.00 0.00 C ATOM 876 CD1 LEU A 54 9.939 -3.553 11.651 1.00 0.00 C ATOM 877 CD2 LEU A 54 11.335 -3.201 13.558 1.00 0.00 C ATOM 0 H LEU A 54 11.474 -2.313 9.583 1.00 0.00 H new ATOM 0 HA LEU A 54 11.838 0.230 10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.026 -0.452 12.780 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.952 -0.759 11.430 1.00 0.00 H new ATOM 0 HG LEU A 54 9.620 -2.035 13.162 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.679 -4.446 12.219 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.059 -3.193 11.117 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.724 -3.795 10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.862 -4.125 13.890 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.281 -3.433 13.069 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.520 -2.558 14.419 1.00 0.00 H new ATOM 889 N ILE A 55 14.022 -2.119 11.322 1.00 0.00 N ATOM 890 CA ILE A 55 15.386 -2.562 11.664 1.00 0.00 C ATOM 891 C ILE A 55 15.652 -3.376 10.398 1.00 0.00 C ATOM 892 O ILE A 55 14.677 -3.792 9.784 1.00 0.00 O ATOM 893 CB ILE A 55 15.689 -3.498 12.891 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.770 -3.506 14.128 1.00 0.00 C ATOM 895 CG2 ILE A 55 17.111 -3.266 13.447 1.00 0.00 C ATOM 896 CD1 ILE A 55 14.304 -2.179 14.628 1.00 0.00 C ATOM 0 H ILE A 55 13.545 -2.832 10.770 1.00 0.00 H new ATOM 0 HA ILE A 55 15.973 -1.692 11.958 1.00 0.00 H new ATOM 0 HB ILE A 55 15.519 -4.454 12.397 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.892 -4.109 13.895 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.296 -4.009 14.939 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.284 -3.930 14.294 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.845 -3.473 12.668 1.00 0.00 H new ATOM 0 HG23 ILE A 55 17.210 -2.230 13.773 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.666 -2.322 15.500 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.166 -1.571 14.905 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.740 -1.673 13.845 1.00 0.00 H new ATOM 908 N GLN A 56 16.919 -3.657 10.004 1.00 0.00 N ATOM 909 CA GLN A 56 17.306 -4.462 8.853 1.00 0.00 C ATOM 910 C GLN A 56 17.498 -5.987 9.061 1.00 0.00 C ATOM 911 O GLN A 56 16.967 -6.728 8.235 1.00 0.00 O ATOM 912 CB GLN A 56 18.566 -3.790 8.232 1.00 0.00 C ATOM 913 CG GLN A 56 18.647 -3.859 6.691 1.00 0.00 C ATOM 914 CD GLN A 56 19.356 -5.109 6.153 1.00 0.00 C ATOM 915 OE1 GLN A 56 20.586 -5.161 6.114 1.00 0.00 O ATOM 916 NE2 GLN A 56 18.577 -6.134 5.728 1.00 0.00 N ATOM 0 H GLN A 56 17.727 -3.304 10.516 1.00 0.00 H new ATOM 0 HA GLN A 56 16.450 -4.463 8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.589 -2.743 8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 56 19.455 -4.263 8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.637 -3.825 6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.168 -2.974 6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.561 -6.056 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 56 19.007 -6.983 5.361 1.00 0.00 H new ATOM 925 N PRO A 57 18.252 -6.524 10.062 1.00 0.00 N ATOM 926 CA PRO A 57 18.650 -7.945 10.145 1.00 0.00 C ATOM 927 C PRO A 57 17.642 -8.850 10.886 1.00 0.00 C ATOM 928 O PRO A 57 16.492 -8.947 10.486 1.00 0.00 O ATOM 929 CB PRO A 57 19.968 -7.819 10.941 1.00 0.00 C ATOM 930 CG PRO A 57 19.618 -6.744 11.973 1.00 0.00 C ATOM 931 CD PRO A 57 18.977 -5.714 11.046 1.00 0.00 C ATOM 0 HA PRO A 57 18.722 -8.421 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.251 -8.760 11.413 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.801 -7.518 10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.931 -7.105 12.739 1.00 0.00 H new ATOM 0 HG3 PRO A 57 20.496 -6.356 12.489 1.00 0.00 H new ATOM 0 HD2 PRO A 57 18.304 -5.051 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.728 -5.084 10.569 1.00 0.00 H new ATOM 939 N HIS A 58 18.091 -9.534 11.988 1.00 0.00 N ATOM 940 CA HIS A 58 17.388 -10.470 12.867 1.00 0.00 C ATOM 941 C HIS A 58 16.413 -9.864 13.881 1.00 0.00 C ATOM 942 O HIS A 58 15.454 -10.519 14.270 1.00 0.00 O ATOM 943 CB HIS A 58 18.366 -11.435 13.591 1.00 0.00 C ATOM 944 CG HIS A 58 19.030 -12.392 12.638 1.00 0.00 C ATOM 945 ND1 HIS A 58 18.381 -13.460 12.053 1.00 0.00 N ATOM 946 CD2 HIS A 58 20.302 -12.426 12.154 1.00 0.00 C ATOM 947 CE1 HIS A 58 19.286 -14.083 11.257 1.00 0.00 C ATOM 948 NE2 HIS A 58 20.462 -13.492 11.288 1.00 0.00 N ATOM 0 H HIS A 58 19.056 -9.415 12.295 1.00 0.00 H new ATOM 0 HA HIS A 58 16.759 -11.019 12.166 1.00 0.00 H new ATOM 0 HB2 HIS A 58 19.128 -10.855 14.110 1.00 0.00 H new ATOM 0 HB3 HIS A 58 17.823 -11.999 14.349 1.00 0.00 H new ATOM 0 HD2 HIS A 58 21.077 -11.719 12.410 1.00 0.00 H new ATOM 0 HE1 HIS A 58 19.067 -14.961 10.667 1.00 0.00 H new ATOM 0 HE2 HIS A 58 21.307 -13.762 10.783 1.00 0.00 H new ATOM 956 N ASP A 59 16.602 -8.592 14.346 1.00 0.00 N ATOM 957 CA ASP A 59 15.743 -7.862 15.275 1.00 0.00 C ATOM 958 C ASP A 59 14.675 -7.105 14.517 1.00 0.00 C ATOM 959 O ASP A 59 13.886 -6.387 15.100 1.00 0.00 O ATOM 960 CB ASP A 59 16.558 -6.847 16.129 1.00 0.00 C ATOM 961 CG ASP A 59 17.596 -7.600 16.966 1.00 0.00 C ATOM 962 OD1 ASP A 59 17.177 -8.399 17.847 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.816 -7.384 16.738 1.00 0.00 O ATOM 0 H ASP A 59 17.406 -8.037 14.055 1.00 0.00 H new ATOM 0 HA ASP A 59 15.286 -8.597 15.938 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.053 -6.125 15.480 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.889 -6.284 16.780 1.00 0.00 H new ATOM 968 N ARG A 60 14.575 -7.252 13.172 1.00 0.00 N ATOM 969 CA ARG A 60 13.609 -6.632 12.261 1.00 0.00 C ATOM 970 C ARG A 60 12.157 -6.726 12.626 1.00 0.00 C ATOM 971 O ARG A 60 11.415 -5.810 12.385 1.00 0.00 O ATOM 972 CB ARG A 60 13.799 -7.144 10.808 1.00 0.00 C ATOM 973 CG ARG A 60 13.184 -8.501 10.397 1.00 0.00 C ATOM 974 CD ARG A 60 13.564 -9.668 11.313 1.00 0.00 C ATOM 975 NE ARG A 60 13.212 -10.975 10.660 1.00 0.00 N ATOM 976 CZ ARG A 60 13.001 -12.134 11.358 1.00 0.00 C ATOM 977 NH1 ARG A 60 13.087 -12.161 12.720 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.698 -13.279 10.680 1.00 0.00 N ATOM 0 H ARG A 60 15.223 -7.857 12.667 1.00 0.00 H new ATOM 0 HA ARG A 60 13.851 -5.573 12.353 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.395 -6.385 10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.871 -7.199 10.618 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.098 -8.405 10.382 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.498 -8.736 9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.632 -9.637 11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.043 -9.577 12.266 1.00 0.00 H new ATOM 0 HE ARG A 60 13.126 -11.000 9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.311 -11.309 13.234 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.927 -13.033 13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.630 -13.266 9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.539 -14.147 11.191 1.00 0.00 H new ATOM 992 N LYS A 61 11.695 -7.831 13.240 1.00 0.00 N ATOM 993 CA LYS A 61 10.403 -8.024 13.862 1.00 0.00 C ATOM 994 C LYS A 61 10.143 -7.310 15.173 1.00 0.00 C ATOM 995 O LYS A 61 9.013 -7.091 15.593 1.00 0.00 O ATOM 996 CB LYS A 61 9.611 -9.275 13.425 1.00 0.00 C ATOM 997 CG LYS A 61 8.517 -9.842 14.373 1.00 0.00 C ATOM 998 CD LYS A 61 9.029 -10.513 15.664 1.00 0.00 C ATOM 999 CE LYS A 61 10.079 -11.617 15.465 1.00 0.00 C ATOM 1000 NZ LYS A 61 9.573 -12.705 14.595 1.00 0.00 N ATOM 0 H LYS A 61 12.273 -8.669 13.311 1.00 0.00 H new ATOM 0 HA LYS A 61 9.715 -7.344 13.359 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.135 -9.047 12.472 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.331 -10.072 13.239 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.846 -9.029 14.650 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.924 -10.569 13.819 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.454 -9.744 16.308 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.177 -10.938 16.194 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.979 -11.188 15.025 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.363 -12.028 16.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.309 -13.431 14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.729 -13.131 15.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.326 -12.317 13.662 1.00 0.00 H new ATOM 1014 N LYS A 62 11.209 -6.973 15.926 1.00 0.00 N ATOM 1015 CA LYS A 62 11.170 -6.354 17.249 1.00 0.00 C ATOM 1016 C LYS A 62 10.385 -5.049 17.449 1.00 0.00 C ATOM 1017 O LYS A 62 9.917 -4.796 18.555 1.00 0.00 O ATOM 1018 CB LYS A 62 12.634 -6.314 17.805 1.00 0.00 C ATOM 1019 CG LYS A 62 12.795 -5.810 19.243 1.00 0.00 C ATOM 1020 CD LYS A 62 14.234 -5.421 19.620 1.00 0.00 C ATOM 1021 CE LYS A 62 14.716 -4.172 18.864 1.00 0.00 C ATOM 1022 NZ LYS A 62 16.061 -3.753 19.322 1.00 0.00 N ATOM 0 H LYS A 62 12.163 -7.137 15.605 1.00 0.00 H new ATOM 0 HA LYS A 62 10.527 -6.998 17.849 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.051 -7.319 17.745 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.233 -5.681 17.150 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.148 -4.945 19.387 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.449 -6.584 19.928 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.290 -5.238 20.693 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.902 -6.255 19.404 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.742 -4.379 17.794 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.008 -3.357 19.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.360 -2.908 18.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.029 -3.533 20.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.740 -4.523 19.156 1.00 0.00 H new ATOM 1036 N MET A 63 10.130 -4.235 16.385 1.00 0.00 N ATOM 1037 CA MET A 63 9.169 -3.132 16.450 1.00 0.00 C ATOM 1038 C MET A 63 7.968 -3.425 15.567 1.00 0.00 C ATOM 1039 O MET A 63 7.025 -2.648 15.555 1.00 0.00 O ATOM 1040 CB MET A 63 9.706 -1.658 16.369 1.00 0.00 C ATOM 1041 CG MET A 63 11.032 -1.541 17.155 1.00 0.00 C ATOM 1042 SD MET A 63 11.627 0.142 17.482 1.00 0.00 S ATOM 1043 CE MET A 63 12.779 0.255 16.082 1.00 0.00 C ATOM 0 H MET A 63 10.585 -4.335 15.478 1.00 0.00 H new ATOM 0 HA MET A 63 8.850 -3.120 17.492 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.863 -1.375 15.328 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.967 -0.969 16.779 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.910 -2.052 18.110 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.805 -2.076 16.603 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.938 1.302 15.825 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.731 -0.200 16.356 1.00 0.00 H new ATOM 0 HE3 MET A 63 12.360 -0.269 15.223 1.00 0.00 H new ATOM 1053 N LYS A 64 7.874 -4.596 14.841 1.00 0.00 N ATOM 1054 CA LYS A 64 6.727 -5.000 14.009 1.00 0.00 C ATOM 1055 C LYS A 64 5.503 -5.319 14.880 1.00 0.00 C ATOM 1056 O LYS A 64 4.352 -5.105 14.509 1.00 0.00 O ATOM 1057 CB LYS A 64 7.121 -6.205 13.103 1.00 0.00 C ATOM 1058 CG LYS A 64 6.088 -7.340 12.962 1.00 0.00 C ATOM 1059 CD LYS A 64 6.290 -8.246 11.744 1.00 0.00 C ATOM 1060 CE LYS A 64 5.444 -9.527 11.773 1.00 0.00 C ATOM 1061 NZ LYS A 64 3.993 -9.220 11.772 1.00 0.00 N ATOM 0 H LYS A 64 8.624 -5.287 14.833 1.00 0.00 H new ATOM 0 HA LYS A 64 6.451 -4.168 13.361 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.342 -5.822 12.107 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.045 -6.634 13.492 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.118 -7.954 13.862 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.092 -6.901 12.909 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.049 -7.684 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.343 -8.519 11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.687 -10.144 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.693 -10.109 12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.452 -10.098 11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.729 -8.786 12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.778 -8.560 10.997 1.00 0.00 H new ATOM 1075 N LYS A 65 5.775 -5.791 16.124 1.00 0.00 N ATOM 1076 CA LYS A 65 4.764 -6.030 17.169 1.00 0.00 C ATOM 1077 C LYS A 65 4.036 -4.741 17.688 1.00 0.00 C ATOM 1078 O LYS A 65 2.828 -4.727 17.923 1.00 0.00 O ATOM 1079 CB LYS A 65 5.439 -6.806 18.332 1.00 0.00 C ATOM 1080 CG LYS A 65 4.490 -7.408 19.381 1.00 0.00 C ATOM 1081 CD LYS A 65 5.265 -8.180 20.460 1.00 0.00 C ATOM 1082 CE LYS A 65 4.351 -8.746 21.555 1.00 0.00 C ATOM 1083 NZ LYS A 65 5.136 -9.475 22.579 1.00 0.00 N ATOM 0 H LYS A 65 6.722 -6.018 16.427 1.00 0.00 H new ATOM 0 HA LYS A 65 3.965 -6.619 16.718 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.036 -7.612 17.906 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.129 -6.132 18.840 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.909 -6.612 19.847 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.781 -8.076 18.892 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.814 -8.997 19.992 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.003 -7.519 20.914 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.797 -7.934 22.026 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.616 -9.417 21.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.495 -9.848 23.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.645 -10.263 22.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.820 -8.827 23.019 1.00 0.00 H new ATOM 1097 N VAL A 66 4.785 -3.590 17.790 1.00 0.00 N ATOM 1098 CA VAL A 66 4.292 -2.220 18.067 1.00 0.00 C ATOM 1099 C VAL A 66 3.642 -1.599 16.837 1.00 0.00 C ATOM 1100 O VAL A 66 2.719 -0.792 16.963 1.00 0.00 O ATOM 1101 CB VAL A 66 5.144 -1.253 18.923 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.602 -1.174 18.453 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.504 0.163 19.043 1.00 0.00 C ATOM 0 H VAL A 66 5.798 -3.610 17.673 1.00 0.00 H new ATOM 0 HA VAL A 66 3.519 -2.403 18.813 1.00 0.00 H new ATOM 0 HB VAL A 66 5.158 -1.682 19.925 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.152 -0.481 19.090 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.058 -2.162 18.513 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.633 -0.822 17.422 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.143 0.801 19.654 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.398 0.600 18.050 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.522 0.080 19.509 1.00 0.00 H new ATOM 1113 N TRP A 67 4.078 -1.957 15.585 1.00 0.00 N ATOM 1114 CA TRP A 67 3.557 -1.461 14.298 1.00 0.00 C ATOM 1115 C TRP A 67 2.036 -1.536 14.142 1.00 0.00 C ATOM 1116 O TRP A 67 1.380 -0.650 13.617 1.00 0.00 O ATOM 1117 CB TRP A 67 4.029 -2.352 13.107 1.00 0.00 C ATOM 1118 CG TRP A 67 3.639 -1.938 11.679 1.00 0.00 C ATOM 1119 CD1 TRP A 67 3.021 -2.723 10.751 1.00 0.00 C ATOM 1120 CD2 TRP A 67 3.720 -0.618 11.100 1.00 0.00 C ATOM 1121 NE1 TRP A 67 2.780 -1.999 9.615 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.242 -0.719 9.801 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.135 0.583 11.603 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.228 0.360 8.974 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 4.170 1.663 10.751 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.739 1.544 9.450 1.00 0.00 C ATOM 0 H TRP A 67 4.835 -2.629 15.458 1.00 0.00 H new ATOM 0 HA TRP A 67 3.920 -0.433 14.290 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.117 -2.412 13.149 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.648 -3.359 13.276 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.760 -3.762 10.892 1.00 0.00 H new ATOM 0 HE1 TRP A 67 2.331 -2.352 8.770 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.427 0.682 12.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.828 0.289 7.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.539 2.613 11.107 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.803 2.397 8.790 1.00 0.00 H new ATOM 1137 N ASP A 68 1.481 -2.641 14.684 1.00 0.00 N ATOM 1138 CA ASP A 68 0.105 -3.101 14.786 1.00 0.00 C ATOM 1139 C ASP A 68 -0.800 -2.038 15.441 1.00 0.00 C ATOM 1140 O ASP A 68 -1.879 -1.701 14.963 1.00 0.00 O ATOM 1141 CB ASP A 68 0.210 -4.388 15.664 1.00 0.00 C ATOM 1142 CG ASP A 68 1.052 -5.492 14.997 1.00 0.00 C ATOM 1143 OD1 ASP A 68 1.290 -5.429 13.761 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.444 -6.437 15.732 1.00 0.00 O ATOM 0 H ASP A 68 2.097 -3.325 15.123 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.347 -3.293 13.813 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.651 -4.131 16.627 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.791 -4.770 15.864 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.266 -1.416 16.527 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.740 -0.194 17.166 1.00 0.00 C ATOM 1151 C ARG A 69 -0.369 1.123 16.427 1.00 0.00 C ATOM 1152 O ARG A 69 -1.220 1.990 16.234 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.291 -0.208 18.649 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.829 0.925 19.554 1.00 0.00 C ATOM 1155 CD ARG A 69 -2.359 1.098 19.485 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.790 2.124 20.497 1.00 0.00 N ATOM 1157 CZ ARG A 69 -4.065 2.623 20.552 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -5.017 2.214 19.663 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -4.382 3.551 21.502 1.00 0.00 N ATOM 0 H ARG A 69 0.558 -1.792 16.996 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.829 -0.194 17.110 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.590 -1.161 19.085 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.798 -0.174 18.674 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.541 0.722 20.586 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.353 1.863 19.269 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.656 1.411 18.484 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.853 0.147 19.682 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.104 2.463 21.171 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.783 1.528 18.945 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.962 2.595 19.717 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.672 3.867 22.163 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.328 3.928 21.551 1.00 0.00 H new ATOM 1173 N ALA A 70 0.909 1.312 15.957 1.00 0.00 N ATOM 1174 CA ALA A 70 1.467 2.459 15.219 1.00 0.00 C ATOM 1175 C ALA A 70 0.778 2.796 13.873 1.00 0.00 C ATOM 1176 O ALA A 70 0.677 3.963 13.488 1.00 0.00 O ATOM 1177 CB ALA A 70 3.000 2.347 15.068 1.00 0.00 C ATOM 0 H ALA A 70 1.620 0.596 16.107 1.00 0.00 H new ATOM 0 HA ALA A 70 1.238 3.317 15.850 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.376 3.210 14.519 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.462 2.316 16.055 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.246 1.435 14.524 1.00 0.00 H new ATOM 1183 N VAL A 71 0.252 1.740 13.174 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.597 1.705 11.967 1.00 0.00 C ATOM 1185 C VAL A 71 -1.901 2.450 12.135 1.00 0.00 C ATOM 1186 O VAL A 71 -2.333 3.092 11.190 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.888 0.280 11.462 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -2.006 0.124 10.403 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.377 -0.197 10.763 1.00 0.00 C ATOM 0 H VAL A 71 0.444 0.790 13.492 1.00 0.00 H new ATOM 0 HA VAL A 71 0.001 2.218 11.214 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.210 -0.273 12.344 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.108 -0.927 10.134 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.948 0.487 10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.750 0.702 9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.224 -1.208 10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.608 0.471 9.933 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.206 -0.196 11.471 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.524 2.463 13.358 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.727 3.229 13.736 1.00 0.00 C ATOM 1201 C ASP A 72 -3.523 4.745 13.533 1.00 0.00 C ATOM 1202 O ASP A 72 -4.294 5.419 12.855 1.00 0.00 O ATOM 1203 CB ASP A 72 -4.120 2.879 15.211 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.517 3.369 15.617 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.505 2.968 14.946 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.606 4.148 16.604 1.00 0.00 O ATOM 0 H ASP A 72 -2.170 1.906 14.136 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.551 2.945 13.081 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.073 1.798 15.342 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.383 3.314 15.886 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.375 5.247 14.054 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.806 6.581 13.923 1.00 0.00 C ATOM 1213 C PHE A 73 -1.305 6.923 12.514 1.00 0.00 C ATOM 1214 O PHE A 73 -1.678 7.985 12.022 1.00 0.00 O ATOM 1215 CB PHE A 73 -0.737 6.813 15.029 1.00 0.00 C ATOM 1216 CG PHE A 73 -1.203 6.287 16.375 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -2.479 6.542 16.847 1.00 0.00 C ATOM 1218 CD2 PHE A 73 -0.361 5.522 17.164 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -2.900 6.070 18.072 1.00 0.00 C ATOM 1220 CE2 PHE A 73 -0.779 5.042 18.391 1.00 0.00 C ATOM 1221 CZ PHE A 73 -2.043 5.334 18.855 1.00 0.00 C ATOM 0 H PHE A 73 -1.777 4.656 14.631 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.619 7.291 14.076 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.193 6.319 14.747 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.520 7.878 15.109 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.160 7.123 16.243 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.636 5.297 16.816 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.902 6.278 18.416 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.113 4.436 18.988 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.358 4.987 19.828 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.518 6.053 11.786 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.186 6.300 10.344 1.00 0.00 C ATOM 1233 C LEU A 74 -1.378 6.187 9.351 1.00 0.00 C ATOM 1234 O LEU A 74 -1.596 7.106 8.558 1.00 0.00 O ATOM 1235 CB LEU A 74 1.021 5.465 9.775 1.00 0.00 C ATOM 1236 CG LEU A 74 1.582 5.968 8.414 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.192 7.379 8.472 1.00 0.00 C ATOM 1238 CD2 LEU A 74 2.649 5.010 7.870 1.00 0.00 C ATOM 0 H LEU A 74 -0.114 5.198 12.168 1.00 0.00 H new ATOM 0 HA LEU A 74 0.115 7.346 10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.827 5.473 10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.704 4.428 9.660 1.00 0.00 H new ATOM 0 HG LEU A 74 0.716 6.004 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.561 7.657 7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.431 8.092 8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.018 7.389 9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.024 5.386 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.472 4.940 8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.211 4.023 7.723 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.201 5.081 9.363 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.342 4.836 8.466 1.00 0.00 C ATOM 1252 C ALA A 75 -4.463 5.885 8.429 1.00 0.00 C ATOM 1253 O ALA A 75 -5.139 6.041 7.415 1.00 0.00 O ATOM 1254 CB ALA A 75 -3.933 3.431 8.712 1.00 0.00 C ATOM 0 H ALA A 75 -2.065 4.321 10.030 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.893 4.916 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.775 3.268 8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.168 2.677 8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.273 3.355 9.745 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.626 6.692 9.522 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.519 7.836 9.656 1.00 0.00 C ATOM 1262 C ALA A 76 -5.125 9.069 8.818 1.00 0.00 C ATOM 1263 O ALA A 76 -5.945 9.954 8.601 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.612 8.243 11.148 1.00 0.00 C ATOM 0 H ALA A 76 -4.092 6.531 10.376 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.482 7.506 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.279 9.099 11.251 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.001 7.407 11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.621 8.510 11.515 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.860 9.139 8.311 1.00 0.00 N ATOM 1271 CA ASN A 77 -3.328 10.209 7.469 1.00 0.00 C ATOM 1272 C ASN A 77 -3.182 9.774 5.998 1.00 0.00 C ATOM 1273 O ASN A 77 -2.771 10.584 5.166 1.00 0.00 O ATOM 1274 CB ASN A 77 -1.959 10.715 8.040 1.00 0.00 C ATOM 1275 CG ASN A 77 -2.131 11.903 9.001 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -3.213 12.301 9.437 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -0.977 12.564 9.300 1.00 0.00 N ATOM 0 H ASN A 77 -3.168 8.412 8.496 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.045 11.030 7.486 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.461 9.898 8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.310 11.009 7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.004 13.396 9.889 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.087 12.227 8.934 1.00 0.00 H new ATOM 1284 N GLU A 78 -3.522 8.495 5.655 1.00 0.00 N ATOM 1285 CA GLU A 78 -3.474 7.869 4.321 1.00 0.00 C ATOM 1286 C GLU A 78 -2.099 7.256 3.969 1.00 0.00 C ATOM 1287 O GLU A 78 -1.289 6.967 4.850 1.00 0.00 O ATOM 1288 CB GLU A 78 -4.088 8.757 3.183 1.00 0.00 C ATOM 1289 CG GLU A 78 -4.746 8.038 1.982 1.00 0.00 C ATOM 1290 CD GLU A 78 -5.865 7.106 2.447 1.00 0.00 C ATOM 1291 OE1 GLU A 78 -6.849 7.613 3.050 1.00 0.00 O ATOM 1292 OE2 GLU A 78 -5.752 5.875 2.200 1.00 0.00 O ATOM 0 H GLU A 78 -3.858 7.840 6.361 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.145 7.013 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.836 9.409 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.297 9.400 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.148 8.776 1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.993 7.466 1.439 1.00 0.00 H new ATOM 1299 N SER A 79 -1.790 7.007 2.676 1.00 0.00 N ATOM 1300 CA SER A 79 -0.536 6.434 2.184 1.00 0.00 C ATOM 1301 C SER A 79 -0.741 6.240 0.705 1.00 0.00 C ATOM 1302 O SER A 79 -1.856 6.373 0.209 1.00 0.00 O ATOM 1303 CB SER A 79 -0.067 5.084 2.828 1.00 0.00 C ATOM 1304 OG SER A 79 0.591 5.338 4.066 1.00 0.00 O ATOM 0 H SER A 79 -2.444 7.213 1.921 1.00 0.00 H new ATOM 0 HA SER A 79 0.263 7.124 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.925 4.431 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.607 4.562 2.149 1.00 0.00 H new ATOM 0 HG SER A 79 0.211 6.141 4.480 1.00 0.00 H new ATOM 1310 N ARG A 80 0.341 5.923 -0.039 1.00 0.00 N ATOM 1311 CA ARG A 80 0.362 5.756 -1.485 1.00 0.00 C ATOM 1312 C ARG A 80 0.204 4.316 -1.934 1.00 0.00 C ATOM 1313 O ARG A 80 0.147 4.065 -3.134 1.00 0.00 O ATOM 1314 CB ARG A 80 1.674 6.364 -2.041 1.00 0.00 C ATOM 1315 CG ARG A 80 1.950 7.837 -1.644 1.00 0.00 C ATOM 1316 CD ARG A 80 1.169 8.900 -2.446 1.00 0.00 C ATOM 1317 NE ARG A 80 -0.286 8.932 -2.052 1.00 0.00 N ATOM 1318 CZ ARG A 80 -0.789 9.668 -1.009 1.00 0.00 C ATOM 1319 NH1 ARG A 80 0.024 10.442 -0.235 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -2.125 9.614 -0.737 1.00 0.00 N ATOM 0 H ARG A 80 1.257 5.773 0.383 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.504 6.282 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.510 5.752 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.652 6.298 -3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.715 7.960 -0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.016 8.032 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.613 9.881 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.254 8.688 -3.512 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.940 8.369 -2.597 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.025 10.481 -0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.369 10.982 0.536 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.738 9.031 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.510 10.157 0.036 1.00 0.00 H new ATOM 1334 N VAL A 81 0.088 3.328 -0.998 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.152 1.929 -1.329 1.00 0.00 C ATOM 1336 C VAL A 81 -1.597 1.553 -1.055 1.00 0.00 C ATOM 1337 O VAL A 81 -2.240 2.096 -0.161 1.00 0.00 O ATOM 1338 CB VAL A 81 0.885 0.942 -0.793 1.00 0.00 C ATOM 1339 CG1 VAL A 81 2.118 0.992 -1.720 1.00 0.00 C ATOM 1340 CG2 VAL A 81 1.215 1.181 0.686 1.00 0.00 C ATOM 0 H VAL A 81 0.162 3.502 0.004 1.00 0.00 H new ATOM 0 HA VAL A 81 0.002 1.835 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 81 0.478 -0.069 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.874 0.295 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.824 0.715 -2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.528 2.002 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.956 0.453 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.614 2.187 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.309 1.073 1.283 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.156 0.626 -1.882 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.551 0.196 -1.873 1.00 0.00 C ATOM 1352 C ARG A 82 -3.579 -1.247 -1.400 1.00 0.00 C ATOM 1353 O ARG A 82 -2.703 -2.040 -1.742 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.244 0.366 -3.264 1.00 0.00 C ATOM 1355 CG ARG A 82 -3.564 -0.386 -4.405 1.00 0.00 C ATOM 1356 CD ARG A 82 -4.375 -0.459 -5.702 1.00 0.00 C ATOM 1357 NE ARG A 82 -3.530 -1.175 -6.720 1.00 0.00 N ATOM 1358 CZ ARG A 82 -4.027 -1.743 -7.863 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -5.354 -1.670 -8.168 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -3.173 -2.391 -8.710 1.00 0.00 N ATOM 0 H ARG A 82 -1.609 0.148 -2.598 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.123 0.830 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.277 0.026 -3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.276 1.427 -3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.608 0.093 -4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.345 -1.401 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.313 -0.990 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.632 0.541 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.527 -1.241 -6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.996 -1.186 -7.540 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.705 -2.099 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.179 -2.447 -8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.529 -2.819 -9.565 1.00 0.00 H new ATOM 1374 N THR A 83 -4.586 -1.595 -0.575 1.00 0.00 N ATOM 1375 CA THR A 83 -4.751 -2.901 0.077 1.00 0.00 C ATOM 1376 C THR A 83 -5.783 -3.739 -0.643 1.00 0.00 C ATOM 1377 O THR A 83 -6.945 -3.361 -0.768 1.00 0.00 O ATOM 1378 CB THR A 83 -5.082 -2.846 1.566 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.133 -2.032 2.225 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.954 -4.232 2.219 1.00 0.00 C ATOM 0 H THR A 83 -5.335 -0.945 -0.338 1.00 0.00 H new ATOM 0 HA THR A 83 -3.767 -3.365 0.008 1.00 0.00 H new ATOM 0 HB THR A 83 -6.100 -2.467 1.655 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.291 -2.039 1.723 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.196 -4.158 3.279 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.642 -4.926 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.933 -4.595 2.105 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.363 -4.921 -1.142 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.186 -5.804 -1.937 1.00 0.00 C ATOM 1390 C GLU A 84 -6.116 -7.204 -1.357 1.00 0.00 C ATOM 1391 O GLU A 84 -5.064 -7.622 -0.869 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.656 -5.749 -3.403 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.372 -6.683 -4.401 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.908 -6.382 -5.826 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -6.095 -5.223 -6.283 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.367 -7.314 -6.480 1.00 0.00 O ATOM 0 H GLU A 84 -4.420 -5.279 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.233 -5.501 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.742 -4.724 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.595 -5.997 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.161 -7.723 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.451 -6.550 -4.326 1.00 0.00 H new ATOM 1403 N THR A 85 -7.251 -7.965 -1.440 1.00 0.00 N ATOM 1404 CA THR A 85 -7.419 -9.371 -1.086 1.00 0.00 C ATOM 1405 C THR A 85 -6.984 -10.209 -2.287 1.00 0.00 C ATOM 1406 O THR A 85 -7.654 -10.234 -3.320 1.00 0.00 O ATOM 1407 CB THR A 85 -8.888 -9.718 -0.792 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.792 -8.870 -1.499 1.00 0.00 O ATOM 1409 CG2 THR A 85 -9.127 -9.566 0.716 1.00 0.00 C ATOM 0 H THR A 85 -8.123 -7.562 -1.783 1.00 0.00 H new ATOM 0 HA THR A 85 -6.827 -9.573 -0.193 1.00 0.00 H new ATOM 0 HB THR A 85 -9.073 -10.740 -1.122 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.565 -8.873 -2.452 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.165 -9.808 0.946 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.468 -10.243 1.259 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.919 -8.539 1.016 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.854 -10.932 -2.162 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.290 -11.726 -3.233 1.00 0.00 C ATOM 1419 C ARG A 86 -4.829 -13.024 -2.605 1.00 0.00 C ATOM 1420 O ARG A 86 -4.407 -13.049 -1.447 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.146 -10.927 -3.931 1.00 0.00 C ATOM 1422 CG ARG A 86 -3.542 -11.581 -5.190 1.00 0.00 C ATOM 1423 CD ARG A 86 -4.548 -11.761 -6.342 1.00 0.00 C ATOM 1424 NE ARG A 86 -3.862 -12.458 -7.490 1.00 0.00 N ATOM 1425 CZ ARG A 86 -3.832 -13.820 -7.650 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -4.457 -14.649 -6.766 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -3.163 -14.354 -8.714 1.00 0.00 N ATOM 0 H ARG A 86 -5.313 -10.971 -1.298 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.010 -11.952 -4.019 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.529 -9.944 -4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.346 -10.768 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.709 -10.972 -5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.134 -12.555 -4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.405 -12.345 -6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.929 -10.792 -6.664 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.392 -11.882 -8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.959 -14.259 -5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.423 -15.659 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.692 -13.741 -9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.134 -15.365 -8.843 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.928 -14.154 -3.354 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.583 -15.496 -2.915 1.00 0.00 C ATOM 1443 C ARG A 87 -3.108 -15.807 -3.155 1.00 0.00 C ATOM 1444 O ARG A 87 -2.663 -15.808 -4.299 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.499 -16.530 -3.632 1.00 0.00 C ATOM 1446 CG ARG A 87 -5.531 -17.961 -3.042 1.00 0.00 C ATOM 1447 CD ARG A 87 -4.991 -19.067 -3.968 1.00 0.00 C ATOM 1448 NE ARG A 87 -3.498 -18.938 -4.080 1.00 0.00 N ATOM 1449 CZ ARG A 87 -2.719 -19.739 -4.870 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -3.268 -20.752 -5.601 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -1.372 -19.516 -4.923 1.00 0.00 N ATOM 0 H ARG A 87 -5.266 -14.134 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.747 -15.561 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.517 -16.140 -3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.184 -16.599 -4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.952 -17.968 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.560 -18.203 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.254 -20.048 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.449 -18.987 -4.954 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.038 -18.210 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.273 -20.921 -5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.673 -21.340 -6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.958 -18.760 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.780 -20.106 -5.508 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.306 -16.094 -2.093 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.891 -16.480 -2.245 1.00 0.00 C ATOM 1467 C ILE A 88 -0.604 -17.592 -1.274 1.00 0.00 C ATOM 1468 O ILE A 88 -1.045 -17.565 -0.130 1.00 0.00 O ATOM 1469 CB ILE A 88 0.215 -15.407 -2.168 1.00 0.00 C ATOM 1470 CG1 ILE A 88 0.266 -14.522 -0.894 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.176 -14.583 -3.468 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -0.532 -13.219 -0.964 1.00 0.00 C ATOM 0 H ILE A 88 -2.624 -16.063 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.823 -16.766 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 88 1.155 -15.950 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.101 -15.108 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.307 -14.279 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.951 -13.817 -3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.350 -15.240 -4.320 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.800 -14.108 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.428 -12.678 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.153 -12.604 -1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.584 -13.445 -1.138 1.00 0.00 H new ATOM 1484 N GLY A 89 0.102 -18.673 -1.740 1.00 0.00 N ATOM 1485 CA GLY A 89 0.423 -19.903 -0.942 1.00 0.00 C ATOM 1486 C GLY A 89 -0.788 -20.735 -0.574 1.00 0.00 C ATOM 1487 O GLY A 89 -0.763 -21.541 0.350 1.00 0.00 O ATOM 0 H GLY A 89 0.468 -18.713 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.116 -20.522 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.938 -19.606 -0.028 1.00 0.00 H new ATOM 1491 N GLY A 90 -1.906 -20.484 -1.295 1.00 0.00 N ATOM 1492 CA GLY A 90 -3.235 -21.046 -1.035 1.00 0.00 C ATOM 1493 C GLY A 90 -4.116 -20.199 -0.135 1.00 0.00 C ATOM 1494 O GLY A 90 -5.198 -20.659 0.215 1.00 0.00 O ATOM 0 H GLY A 90 -1.897 -19.860 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.745 -21.192 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.116 -22.030 -0.582 1.00 0.00 H new ATOM 1498 N ALA A 91 -3.734 -18.954 0.298 1.00 0.00 N ATOM 1499 CA ALA A 91 -4.591 -18.212 1.222 1.00 0.00 C ATOM 1500 C ALA A 91 -4.735 -16.759 0.784 1.00 0.00 C ATOM 1501 O ALA A 91 -3.832 -16.193 0.179 1.00 0.00 O ATOM 1502 CB ALA A 91 -4.035 -18.324 2.662 1.00 0.00 C ATOM 0 H ALA A 91 -2.874 -18.479 0.024 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.589 -18.650 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.678 -17.769 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.007 -19.372 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.027 -17.910 2.696 1.00 0.00 H new ATOM 1508 N ASP A 92 -5.901 -16.121 1.085 1.00 0.00 N ATOM 1509 CA ASP A 92 -6.315 -14.745 0.803 1.00 0.00 C ATOM 1510 C ASP A 92 -5.743 -13.769 1.843 1.00 0.00 C ATOM 1511 O ASP A 92 -6.159 -13.754 3.000 1.00 0.00 O ATOM 1512 CB ASP A 92 -7.877 -14.670 0.795 1.00 0.00 C ATOM 1513 CG ASP A 92 -8.452 -13.364 0.237 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -8.130 -13.041 -0.937 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -9.239 -12.708 0.966 1.00 0.00 O ATOM 0 H ASP A 92 -6.638 -16.622 1.581 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.927 -14.455 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.264 -15.502 0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.239 -14.804 1.814 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.762 -12.939 1.429 1.00 0.00 N ATOM 1521 CA PHE A 93 -4.046 -11.987 2.260 1.00 0.00 C ATOM 1522 C PHE A 93 -4.430 -10.589 1.845 1.00 0.00 C ATOM 1523 O PHE A 93 -4.847 -10.357 0.710 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.508 -12.121 2.039 1.00 0.00 C ATOM 1525 CG PHE A 93 -2.001 -13.368 2.722 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -1.645 -13.379 4.062 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.887 -14.544 2.009 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.218 -14.549 4.672 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -1.450 -15.703 2.606 1.00 0.00 C ATOM 1530 CZ PHE A 93 -1.132 -15.719 3.942 1.00 0.00 C ATOM 0 H PHE A 93 -4.444 -12.925 0.460 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.297 -12.183 3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.287 -12.164 0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.996 -11.244 2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.701 -12.466 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.146 -14.554 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.952 -14.546 5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.356 -16.606 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.818 -16.637 4.417 1.00 0.00 H new ATOM 1540 N LEU A 94 -4.210 -9.601 2.759 1.00 0.00 N ATOM 1541 CA LEU A 94 -4.366 -8.184 2.489 1.00 0.00 C ATOM 1542 C LEU A 94 -2.943 -7.749 2.181 1.00 0.00 C ATOM 1543 O LEU A 94 -2.063 -7.763 3.036 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.978 -7.460 3.712 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.502 -7.238 3.588 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -7.224 -8.587 3.693 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -7.019 -6.319 4.715 1.00 0.00 C ATOM 0 H LEU A 94 -3.914 -9.795 3.716 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.050 -7.949 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.774 -8.043 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.486 -6.496 3.839 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.700 -6.769 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.299 -8.432 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.886 -9.244 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.001 -9.045 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.094 -6.178 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.810 -6.776 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.519 -5.352 4.655 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.684 -7.419 0.910 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.353 -7.157 0.395 1.00 0.00 C ATOM 1561 C VAL A 95 -1.351 -5.688 -0.016 1.00 0.00 C ATOM 1562 O VAL A 95 -2.389 -5.152 -0.417 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.164 -8.206 -0.713 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -1.867 -7.812 -2.039 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.304 -8.612 -0.928 1.00 0.00 C ATOM 0 H VAL A 95 -3.415 -7.327 0.204 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.506 -7.264 1.073 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.668 -9.101 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.700 -8.589 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.937 -7.701 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.459 -6.868 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.363 -9.355 -1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.887 -7.734 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.703 -9.035 -0.006 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.191 -4.986 0.072 1.00 0.00 N ATOM 1576 CA TRP A 96 -0.119 -3.565 -0.368 1.00 0.00 C ATOM 1577 C TRP A 96 0.585 -3.606 -1.745 1.00 0.00 C ATOM 1578 O TRP A 96 1.642 -4.212 -1.919 1.00 0.00 O ATOM 1579 CB TRP A 96 0.724 -2.702 0.622 1.00 0.00 C ATOM 1580 CG TRP A 96 0.011 -1.944 1.761 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -1.103 -1.134 1.785 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.693 -1.714 3.000 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -1.165 -0.425 2.983 1.00 0.00 N ATOM 1584 CE2 TRP A 96 -0.032 -0.755 3.716 1.00 0.00 C ATOM 1585 CE3 TRP A 96 1.862 -2.230 3.474 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.453 -0.265 4.901 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.320 -1.766 4.677 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.662 -0.763 5.350 1.00 0.00 C ATOM 0 H TRP A 96 0.684 -5.366 0.433 1.00 0.00 H new ATOM 0 HA TRP A 96 -1.112 -3.117 -0.410 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.465 -3.358 1.079 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.271 -1.967 0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.827 -1.059 0.987 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.905 0.217 3.269 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.408 -2.979 2.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.089 0.482 5.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.214 -2.195 5.106 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.100 -0.355 6.249 1.00 0.00 H new ATOM 1599 N ARG A 97 0.034 -2.957 -2.795 1.00 0.00 N ATOM 1600 CA ARG A 97 0.655 -2.958 -4.111 1.00 0.00 C ATOM 1601 C ARG A 97 0.344 -1.585 -4.588 1.00 0.00 C ATOM 1602 O ARG A 97 -0.733 -1.093 -4.278 1.00 0.00 O ATOM 1603 CB ARG A 97 0.028 -4.065 -5.018 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.462 -3.887 -5.375 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.114 -5.121 -6.014 1.00 0.00 C ATOM 1606 NE ARG A 97 -1.458 -5.368 -7.348 1.00 0.00 N ATOM 1607 CZ ARG A 97 -1.611 -6.523 -8.068 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -2.361 -7.557 -7.588 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -0.993 -6.643 -9.280 1.00 0.00 N ATOM 0 H ARG A 97 -0.838 -2.431 -2.743 1.00 0.00 H new ATOM 0 HA ARG A 97 1.722 -3.180 -4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.599 -4.113 -5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.149 -5.026 -4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.011 -3.629 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.561 -3.044 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.996 -5.990 -5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.185 -4.961 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.867 -4.633 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.818 -7.477 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.464 -8.410 -8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.424 -5.877 -9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.100 -7.499 -9.825 1.00 0.00 H new ATOM 1623 N TRP A 98 1.240 -0.838 -5.270 1.00 0.00 N ATOM 1624 CA TRP A 98 0.907 0.484 -5.780 1.00 0.00 C ATOM 1625 C TRP A 98 1.119 0.801 -7.212 1.00 0.00 C ATOM 1626 O TRP A 98 2.134 0.430 -7.787 1.00 0.00 O ATOM 1627 CB TRP A 98 1.108 1.682 -4.862 1.00 0.00 C ATOM 1628 CG TRP A 98 2.498 2.225 -4.745 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.799 3.529 -4.948 1.00 0.00 C ATOM 1630 CD2 TRP A 98 3.752 1.543 -4.515 1.00 0.00 C ATOM 1631 NE1 TRP A 98 4.134 3.679 -5.012 1.00 0.00 N ATOM 1632 CE2 TRP A 98 4.735 2.495 -4.694 1.00 0.00 C ATOM 1633 CE3 TRP A 98 4.081 0.246 -4.196 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 6.042 2.181 -4.595 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 5.415 -0.051 -4.014 1.00 0.00 C ATOM 1636 CH2 TRP A 98 6.391 0.908 -4.197 1.00 0.00 C ATOM 0 H TRP A 98 2.193 -1.139 -5.473 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.165 0.287 -5.752 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.459 2.486 -5.208 1.00 0.00 H new ATOM 0 HB3 TRP A 98 0.768 1.405 -3.864 1.00 0.00 H new ATOM 0 HD1 TRP A 98 2.078 4.327 -5.044 1.00 0.00 H new ATOM 0 HE1 TRP A 98 4.620 4.541 -5.259 1.00 0.00 H new ATOM 0 HE3 TRP A 98 3.320 -0.514 -4.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.802 2.913 -4.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 5.701 -1.051 -3.723 1.00 0.00 H new ATOM 0 HH2 TRP A 98 7.429 0.661 -4.028 1.00 0.00 H new ATOM 1647 N ILE A 99 0.182 1.630 -7.733 1.00 0.00 N ATOM 1648 CA ILE A 99 0.079 2.323 -8.983 1.00 0.00 C ATOM 1649 C ILE A 99 0.947 3.598 -8.895 1.00 0.00 C ATOM 1650 O ILE A 99 1.027 4.223 -7.838 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.420 2.690 -8.995 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -1.887 3.629 -7.811 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.212 1.358 -8.975 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.143 3.182 -7.045 1.00 0.00 C ATOM 0 H ILE A 99 -0.640 1.841 -7.167 1.00 0.00 H new ATOM 0 HA ILE A 99 0.402 1.769 -9.864 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.613 3.278 -9.893 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.066 3.718 -7.100 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.068 4.625 -8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.281 1.570 -8.983 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.953 0.767 -9.854 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.960 0.798 -8.074 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.365 3.903 -6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.987 3.123 -7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.969 2.202 -6.600 1.00 0.00 H new ATOM 1666 N GLN A 100 1.722 4.000 -9.925 1.00 0.00 N ATOM 1667 CA GLN A 100 2.720 5.069 -9.765 1.00 0.00 C ATOM 1668 C GLN A 100 2.446 6.280 -10.672 1.00 0.00 C ATOM 1669 O GLN A 100 2.345 6.077 -11.881 1.00 0.00 O ATOM 1670 CB GLN A 100 4.124 4.409 -9.910 1.00 0.00 C ATOM 1671 CG GLN A 100 4.278 3.400 -8.732 1.00 0.00 C ATOM 1672 CD GLN A 100 5.522 2.542 -8.750 1.00 0.00 C ATOM 1673 OE1 GLN A 100 6.386 2.660 -9.613 1.00 0.00 O ATOM 1674 NE2 GLN A 100 5.596 1.617 -7.752 1.00 0.00 N ATOM 0 H GLN A 100 1.674 3.604 -10.864 1.00 0.00 H new ATOM 0 HA GLN A 100 2.664 5.522 -8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.213 3.898 -10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.910 5.163 -9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.261 3.959 -7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.408 2.743 -8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.852 1.557 -7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.395 0.985 -7.701 1.00 0.00 H new