USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 717 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: B 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: B 25 TYR OH : rot 61:sc= 0.116 USER MOD Set 2.2: B 47 ASN : amide:sc= -0.148 K(o=-0.032,f=-1.7) USER MOD Single : A 21 GLN : amide:sc= -4.86! K(o=-4.9!,f=-2.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -64:sc= 1.22 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 1.22 K(o=1.2,f=-0.46) USER MOD Single : A 51 TYR OH : rot -155:sc= 1.15 USER MOD Single : A 55 GLN : amide:sc= 1.6 K(o=1.6,f=-0.28) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.817 K(o=0.82,f=-4.3!) USER MOD Single : B 21 GLN : amide:sc= 0.715 K(o=0.71,f=-1) USER MOD Single : B 30 THR OG1 : rot -64:sc= 1.19 USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 61 LYS NZ :NH3+ -130:sc= 0.127 (180deg=-0.364) USER MOD Single : B 62 ASN : amide:sc= 1.15 K(o=1.1,f=-0.11) USER MOD Single : B 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 27.069 5.407 3.659 1.00 0.00 N ATOM 298 CA ASP A 19 25.983 5.607 2.713 1.00 0.00 C ATOM 299 C ASP A 19 26.483 5.446 1.290 1.00 0.00 C ATOM 300 O ASP A 19 26.612 6.418 0.548 1.00 0.00 O ATOM 301 CB ASP A 19 25.347 6.991 2.882 1.00 0.00 C ATOM 302 CG ASP A 19 24.726 7.188 4.248 1.00 0.00 C ATOM 303 OD1 ASP A 19 23.532 6.858 4.416 1.00 0.00 O ATOM 304 OD2 ASP A 19 25.427 7.683 5.158 1.00 0.00 O ATOM 0 HA ASP A 19 25.225 4.851 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 19 26.105 7.757 2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 19 24.583 7.131 2.117 1.00 0.00 H new ATOM 309 N VAL A 20 26.793 4.216 0.929 1.00 0.00 N ATOM 310 CA VAL A 20 27.249 3.913 -0.414 1.00 0.00 C ATOM 311 C VAL A 20 26.053 3.640 -1.313 1.00 0.00 C ATOM 312 O VAL A 20 25.581 2.508 -1.418 1.00 0.00 O ATOM 313 CB VAL A 20 28.204 2.701 -0.431 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.823 2.521 -1.811 1.00 0.00 C ATOM 315 CG2 VAL A 20 29.283 2.862 0.632 1.00 0.00 C ATOM 0 H VAL A 20 26.737 3.408 1.549 1.00 0.00 H new ATOM 0 HA VAL A 20 27.800 4.777 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 20 27.629 1.804 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 20 29.493 1.661 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 20 28.034 2.357 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 20 29.386 3.416 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.949 1.999 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.856 3.768 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.818 2.934 1.615 1.00 0.00 H new ATOM 325 N GLN A 21 25.538 4.694 -1.921 1.00 0.00 N ATOM 326 CA GLN A 21 24.376 4.582 -2.780 1.00 0.00 C ATOM 327 C GLN A 21 24.733 4.946 -4.212 1.00 0.00 C ATOM 328 O GLN A 21 25.531 5.844 -4.461 1.00 0.00 O ATOM 329 CB GLN A 21 23.214 5.449 -2.248 1.00 0.00 C ATOM 330 CG GLN A 21 23.638 6.764 -1.600 1.00 0.00 C ATOM 331 CD GLN A 21 23.984 7.857 -2.596 1.00 0.00 C ATOM 332 OE1 GLN A 21 24.815 8.715 -2.321 1.00 0.00 O ATOM 333 NE2 GLN A 21 23.337 7.842 -3.750 1.00 0.00 N ATOM 0 H GLN A 21 25.909 5.640 -1.834 1.00 0.00 H new ATOM 0 HA GLN A 21 24.040 3.545 -2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.537 5.669 -3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.650 4.867 -1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 21 22.833 7.116 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.502 6.581 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 21 22.652 7.111 -3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.523 8.562 -4.448 1.00 0.00 H new ATOM 342 N ILE A 22 24.171 4.216 -5.152 1.00 0.00 N ATOM 343 CA ILE A 22 24.380 4.507 -6.556 1.00 0.00 C ATOM 344 C ILE A 22 23.179 5.280 -7.088 1.00 0.00 C ATOM 345 O ILE A 22 22.116 5.287 -6.466 1.00 0.00 O ATOM 346 CB ILE A 22 24.585 3.211 -7.379 1.00 0.00 C ATOM 347 CG1 ILE A 22 25.716 2.373 -6.784 1.00 0.00 C ATOM 348 CG2 ILE A 22 24.894 3.527 -8.836 1.00 0.00 C ATOM 349 CD1 ILE A 22 26.054 1.152 -7.612 1.00 0.00 C ATOM 0 H ILE A 22 23.565 3.416 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 22 25.285 5.107 -6.656 1.00 0.00 H new ATOM 0 HB ILE A 22 23.656 2.643 -7.337 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.606 2.994 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.435 2.056 -5.780 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.033 2.598 -9.388 1.00 0.00 H new ATOM 0 HG22 ILE A 22 24.066 4.087 -9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.805 4.123 -8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.864 0.601 -7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.176 0.511 -7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.365 1.463 -8.609 1.00 0.00 H new ATOM 361 N ASP A 23 23.356 5.950 -8.214 1.00 0.00 N ATOM 362 CA ASP A 23 22.267 6.652 -8.861 1.00 0.00 C ATOM 363 C ASP A 23 21.412 5.643 -9.637 1.00 0.00 C ATOM 364 O ASP A 23 21.556 4.434 -9.457 1.00 0.00 O ATOM 365 CB ASP A 23 22.826 7.724 -9.801 1.00 0.00 C ATOM 366 CG ASP A 23 23.308 7.161 -11.122 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.212 6.296 -11.117 1.00 0.00 O ATOM 368 OD2 ASP A 23 22.760 7.571 -12.165 1.00 0.00 O ATOM 0 H ASP A 23 24.250 6.021 -8.699 1.00 0.00 H new ATOM 0 HA ASP A 23 21.645 7.144 -8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.055 8.471 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.652 8.237 -9.308 1.00 0.00 H new ATOM 373 N PHE A 24 20.533 6.132 -10.497 1.00 0.00 N ATOM 374 CA PHE A 24 19.634 5.263 -11.243 1.00 0.00 C ATOM 375 C PHE A 24 20.350 4.580 -12.408 1.00 0.00 C ATOM 376 O PHE A 24 20.014 3.454 -12.781 1.00 0.00 O ATOM 377 CB PHE A 24 18.439 6.068 -11.762 1.00 0.00 C ATOM 378 CG PHE A 24 17.372 5.220 -12.395 1.00 0.00 C ATOM 379 CD1 PHE A 24 16.429 4.579 -11.609 1.00 0.00 C ATOM 380 CD2 PHE A 24 17.315 5.060 -13.770 1.00 0.00 C ATOM 381 CE1 PHE A 24 15.447 3.794 -12.181 1.00 0.00 C ATOM 382 CE2 PHE A 24 16.334 4.275 -14.348 1.00 0.00 C ATOM 383 CZ PHE A 24 15.399 3.641 -13.552 1.00 0.00 C ATOM 0 H PHE A 24 20.422 7.126 -10.697 1.00 0.00 H new ATOM 0 HA PHE A 24 19.282 4.485 -10.565 1.00 0.00 H new ATOM 0 HB2 PHE A 24 18.003 6.629 -10.935 1.00 0.00 H new ATOM 0 HB3 PHE A 24 18.792 6.797 -12.491 1.00 0.00 H new ATOM 0 HD1 PHE A 24 16.462 4.694 -10.536 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.044 5.553 -14.396 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.717 3.300 -11.556 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.299 4.158 -15.421 1.00 0.00 H new ATOM 0 HZ PHE A 24 14.632 3.027 -14.002 1.00 0.00 H new ATOM 393 N TYR A 25 21.338 5.255 -12.978 1.00 0.00 N ATOM 394 CA TYR A 25 22.014 4.745 -14.163 1.00 0.00 C ATOM 395 C TYR A 25 23.053 3.686 -13.813 1.00 0.00 C ATOM 396 O TYR A 25 23.277 2.758 -14.587 1.00 0.00 O ATOM 397 CB TYR A 25 22.648 5.888 -14.956 1.00 0.00 C ATOM 398 CG TYR A 25 21.652 6.654 -15.802 1.00 0.00 C ATOM 399 CD1 TYR A 25 20.827 7.622 -15.244 1.00 0.00 C ATOM 400 CD2 TYR A 25 21.537 6.402 -17.162 1.00 0.00 C ATOM 401 CE1 TYR A 25 19.916 8.317 -16.020 1.00 0.00 C ATOM 402 CE2 TYR A 25 20.632 7.092 -17.943 1.00 0.00 C ATOM 403 CZ TYR A 25 19.822 8.048 -17.369 1.00 0.00 C ATOM 404 OH TYR A 25 18.915 8.735 -18.148 1.00 0.00 O ATOM 0 H TYR A 25 21.688 6.152 -12.642 1.00 0.00 H new ATOM 0 HA TYR A 25 21.261 4.265 -14.788 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.132 6.577 -14.264 1.00 0.00 H new ATOM 0 HB3 TYR A 25 23.428 5.484 -15.601 1.00 0.00 H new ATOM 0 HD1 TYR A 25 20.898 7.836 -14.188 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.167 5.652 -17.617 1.00 0.00 H new ATOM 0 HE1 TYR A 25 19.282 9.067 -15.571 1.00 0.00 H new ATOM 0 HE2 TYR A 25 20.559 6.884 -19.000 1.00 0.00 H new ATOM 0 HH TYR A 25 18.979 8.425 -19.075 1.00 0.00 H new ATOM 414 N GLY A 26 23.676 3.802 -12.652 1.00 0.00 N ATOM 415 CA GLY A 26 24.610 2.782 -12.238 1.00 0.00 C ATOM 416 C GLY A 26 26.047 3.251 -12.259 1.00 0.00 C ATOM 417 O GLY A 26 26.940 2.512 -12.674 1.00 0.00 O ATOM 0 H GLY A 26 23.553 4.574 -11.997 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.356 2.452 -11.230 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.507 1.916 -12.892 1.00 0.00 H new ATOM 421 N ASP A 27 26.274 4.484 -11.834 1.00 0.00 N ATOM 422 CA ASP A 27 27.630 4.985 -11.657 1.00 0.00 C ATOM 423 C ASP A 27 28.120 4.649 -10.249 1.00 0.00 C ATOM 424 O ASP A 27 28.346 3.481 -9.922 1.00 0.00 O ATOM 425 CB ASP A 27 27.699 6.501 -11.904 1.00 0.00 C ATOM 426 CG ASP A 27 27.615 6.867 -13.374 1.00 0.00 C ATOM 427 OD1 ASP A 27 28.642 6.741 -14.076 1.00 0.00 O ATOM 428 OD2 ASP A 27 26.533 7.289 -13.840 1.00 0.00 O ATOM 0 H ASP A 27 25.540 5.155 -11.606 1.00 0.00 H new ATOM 0 HA ASP A 27 28.277 4.502 -12.389 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.885 6.988 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 27 28.630 6.889 -11.491 1.00 0.00 H new ATOM 433 N GLU A 28 28.269 5.674 -9.424 1.00 0.00 N ATOM 434 CA GLU A 28 28.558 5.510 -8.007 1.00 0.00 C ATOM 435 C GLU A 28 28.524 6.874 -7.349 1.00 0.00 C ATOM 436 O GLU A 28 29.210 7.798 -7.788 1.00 0.00 O ATOM 437 CB GLU A 28 29.920 4.848 -7.763 1.00 0.00 C ATOM 438 CG GLU A 28 30.072 4.319 -6.346 1.00 0.00 C ATOM 439 CD GLU A 28 31.431 3.711 -6.077 1.00 0.00 C ATOM 440 OE1 GLU A 28 31.727 2.631 -6.632 1.00 0.00 O ATOM 441 OE2 GLU A 28 32.201 4.292 -5.288 1.00 0.00 O ATOM 0 H GLU A 28 28.193 6.647 -9.719 1.00 0.00 H new ATOM 0 HA GLU A 28 27.803 4.852 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.052 4.028 -8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 28 30.711 5.571 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.900 5.133 -5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.303 3.569 -6.161 1.00 0.00 H new ATOM 448 N VAL A 29 27.707 7.009 -6.324 1.00 0.00 N ATOM 449 CA VAL A 29 27.536 8.287 -5.663 1.00 0.00 C ATOM 450 C VAL A 29 28.104 8.225 -4.251 1.00 0.00 C ATOM 451 O VAL A 29 27.641 7.451 -3.413 1.00 0.00 O ATOM 452 CB VAL A 29 26.047 8.691 -5.619 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.883 10.109 -5.109 1.00 0.00 C ATOM 454 CG2 VAL A 29 25.405 8.547 -6.991 1.00 0.00 C ATOM 0 H VAL A 29 27.151 6.250 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 29 28.077 9.042 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 29 25.541 8.017 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.824 10.368 -5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 29 26.295 10.184 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 29 26.412 10.797 -5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 29 24.356 8.838 -6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.921 9.190 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 29 25.477 7.510 -7.319 1.00 0.00 H new ATOM 464 N THR A 30 29.137 9.010 -4.006 1.00 0.00 N ATOM 465 CA THR A 30 29.762 9.045 -2.699 1.00 0.00 C ATOM 466 C THR A 30 29.373 10.326 -1.966 1.00 0.00 C ATOM 467 O THR A 30 28.850 11.256 -2.579 1.00 0.00 O ATOM 468 CB THR A 30 31.302 8.929 -2.815 1.00 0.00 C ATOM 469 OG1 THR A 30 31.837 9.998 -3.606 1.00 0.00 O ATOM 470 CG2 THR A 30 31.691 7.596 -3.436 1.00 0.00 C ATOM 0 H THR A 30 29.560 9.631 -4.695 1.00 0.00 H new ATOM 0 HA THR A 30 29.406 8.189 -2.125 1.00 0.00 H new ATOM 0 HB THR A 30 31.717 8.992 -1.809 1.00 0.00 H new ATOM 0 HG1 THR A 30 31.501 9.925 -4.524 1.00 0.00 H new ATOM 0 HG21 THR A 30 32.777 7.532 -3.510 1.00 0.00 H new ATOM 0 HG22 THR A 30 31.321 6.782 -2.812 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.254 7.517 -4.432 1.00 0.00 H new ATOM 478 N PRO A 31 29.606 10.387 -0.642 1.00 0.00 N ATOM 479 CA PRO A 31 29.293 11.571 0.182 1.00 0.00 C ATOM 480 C PRO A 31 30.000 12.857 -0.266 1.00 0.00 C ATOM 481 O PRO A 31 29.848 13.901 0.372 1.00 0.00 O ATOM 482 CB PRO A 31 29.777 11.174 1.580 1.00 0.00 C ATOM 483 CG PRO A 31 29.818 9.686 1.575 1.00 0.00 C ATOM 484 CD PRO A 31 30.150 9.284 0.168 1.00 0.00 C ATOM 0 HA PRO A 31 28.232 11.811 0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.761 11.594 1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 31 29.101 11.546 2.350 1.00 0.00 H new ATOM 0 HG2 PRO A 31 30.568 9.314 2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 31 28.860 9.269 1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.225 9.173 0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.694 8.330 -0.095 1.00 0.00 H new ATOM 492 N VAL A 32 30.775 12.781 -1.344 1.00 0.00 N ATOM 493 CA VAL A 32 31.438 13.952 -1.905 1.00 0.00 C ATOM 494 C VAL A 32 30.975 14.203 -3.342 1.00 0.00 C ATOM 495 O VAL A 32 31.616 14.940 -4.093 1.00 0.00 O ATOM 496 CB VAL A 32 32.979 13.819 -1.871 1.00 0.00 C ATOM 497 CG1 VAL A 32 33.487 13.817 -0.436 1.00 0.00 C ATOM 498 CG2 VAL A 32 33.434 12.567 -2.601 1.00 0.00 C ATOM 0 H VAL A 32 30.960 11.914 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 32 31.158 14.801 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 32 33.402 14.682 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.573 13.723 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.203 14.750 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 32 33.049 12.977 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.521 12.498 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 32 32.997 11.689 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 32 33.111 12.614 -3.641 1.00 0.00 H new ATOM 508 N ASP A 33 29.852 13.599 -3.714 1.00 0.00 N ATOM 509 CA ASP A 33 29.256 13.829 -5.027 1.00 0.00 C ATOM 510 C ASP A 33 27.925 14.559 -4.881 1.00 0.00 C ATOM 511 O ASP A 33 27.142 14.260 -3.980 1.00 0.00 O ATOM 512 CB ASP A 33 29.028 12.511 -5.775 1.00 0.00 C ATOM 513 CG ASP A 33 30.315 11.811 -6.157 1.00 0.00 C ATOM 514 OD1 ASP A 33 31.126 12.404 -6.899 1.00 0.00 O ATOM 515 OD2 ASP A 33 30.523 10.660 -5.718 1.00 0.00 O ATOM 0 H ASP A 33 29.335 12.946 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 33 29.952 14.440 -5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 33 28.431 11.845 -5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.448 12.708 -6.677 1.00 0.00 H new ATOM 520 N ASP A 34 27.686 15.529 -5.752 1.00 0.00 N ATOM 521 CA ASP A 34 26.411 16.239 -5.773 1.00 0.00 C ATOM 522 C ASP A 34 25.369 15.415 -6.511 1.00 0.00 C ATOM 523 O ASP A 34 25.505 15.152 -7.711 1.00 0.00 O ATOM 524 CB ASP A 34 26.550 17.613 -6.446 1.00 0.00 C ATOM 525 CG ASP A 34 27.318 18.617 -5.608 1.00 0.00 C ATOM 526 OD1 ASP A 34 28.548 18.487 -5.490 1.00 0.00 O ATOM 527 OD2 ASP A 34 26.694 19.561 -5.069 1.00 0.00 O ATOM 0 H ASP A 34 28.356 15.844 -6.454 1.00 0.00 H new ATOM 0 HA ASP A 34 26.095 16.391 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.053 17.491 -7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 34 25.556 18.009 -6.655 1.00 0.00 H new ATOM 532 N TYR A 35 24.335 14.998 -5.802 1.00 0.00 N ATOM 533 CA TYR A 35 23.283 14.207 -6.409 1.00 0.00 C ATOM 534 C TYR A 35 21.916 14.738 -6.011 1.00 0.00 C ATOM 535 O TYR A 35 21.792 15.561 -5.108 1.00 0.00 O ATOM 536 CB TYR A 35 23.421 12.726 -6.027 1.00 0.00 C ATOM 537 CG TYR A 35 23.146 12.417 -4.570 1.00 0.00 C ATOM 538 CD1 TYR A 35 24.111 12.625 -3.593 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.919 11.899 -4.178 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.860 12.329 -2.267 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.660 11.600 -2.857 1.00 0.00 C ATOM 542 CZ TYR A 35 22.632 11.816 -1.906 1.00 0.00 C ATOM 543 OH TYR A 35 22.378 11.514 -0.587 1.00 0.00 O ATOM 0 H TYR A 35 24.203 15.194 -4.810 1.00 0.00 H new ATOM 0 HA TYR A 35 23.381 14.288 -7.492 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.738 12.141 -6.643 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.431 12.395 -6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.074 13.025 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.154 11.727 -4.921 1.00 0.00 H new ATOM 0 HE1 TYR A 35 24.620 12.498 -1.519 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.699 11.198 -2.570 1.00 0.00 H new ATOM 0 HH TYR A 35 21.467 11.163 -0.501 1.00 0.00 H new ATOM 553 N VAL A 36 20.893 14.280 -6.698 1.00 0.00 N ATOM 554 CA VAL A 36 19.539 14.707 -6.416 1.00 0.00 C ATOM 555 C VAL A 36 18.613 13.500 -6.414 1.00 0.00 C ATOM 556 O VAL A 36 18.750 12.601 -7.246 1.00 0.00 O ATOM 557 CB VAL A 36 19.047 15.745 -7.453 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.592 16.115 -7.228 1.00 0.00 C ATOM 559 CG2 VAL A 36 19.912 16.996 -7.431 1.00 0.00 C ATOM 0 H VAL A 36 20.973 13.608 -7.461 1.00 0.00 H new ATOM 0 HA VAL A 36 19.529 15.182 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 36 19.132 15.279 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.283 16.846 -7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.972 15.223 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.475 16.543 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.542 17.707 -8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 36 19.872 17.449 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 36 20.942 16.730 -7.667 1.00 0.00 H new ATOM 569 N ILE A 37 17.700 13.465 -5.462 1.00 0.00 N ATOM 570 CA ILE A 37 16.749 12.376 -5.375 1.00 0.00 C ATOM 571 C ILE A 37 15.376 12.857 -5.825 1.00 0.00 C ATOM 572 O ILE A 37 14.767 13.718 -5.186 1.00 0.00 O ATOM 573 CB ILE A 37 16.677 11.790 -3.946 1.00 0.00 C ATOM 574 CG1 ILE A 37 18.061 11.298 -3.510 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.667 10.654 -3.885 1.00 0.00 C ATOM 576 CD1 ILE A 37 18.084 10.665 -2.134 1.00 0.00 C ATOM 0 H ILE A 37 17.598 14.178 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 37 17.087 11.577 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 37 16.351 12.575 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.424 10.573 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.755 12.138 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.630 10.254 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.682 11.028 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.965 9.865 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.098 10.343 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.753 11.393 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 37 17.417 9.803 -2.119 1.00 0.00 H new ATOM 588 N ASP A 38 14.904 12.312 -6.937 1.00 0.00 N ATOM 589 CA ASP A 38 13.628 12.726 -7.511 1.00 0.00 C ATOM 590 C ASP A 38 12.513 11.796 -7.051 1.00 0.00 C ATOM 591 O ASP A 38 12.239 10.772 -7.675 1.00 0.00 O ATOM 592 CB ASP A 38 13.701 12.757 -9.045 1.00 0.00 C ATOM 593 CG ASP A 38 12.408 13.232 -9.691 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.543 13.775 -8.978 1.00 0.00 O ATOM 595 OD2 ASP A 38 12.255 13.060 -10.920 1.00 0.00 O ATOM 0 H ASP A 38 15.385 11.581 -7.462 1.00 0.00 H new ATOM 0 HA ASP A 38 13.409 13.735 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.516 13.412 -9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.939 11.759 -9.412 1.00 0.00 H new ATOM 600 N GLY A 39 11.930 12.127 -5.908 1.00 0.00 N ATOM 601 CA GLY A 39 10.784 11.392 -5.402 1.00 0.00 C ATOM 602 C GLY A 39 11.163 10.112 -4.685 1.00 0.00 C ATOM 603 O GLY A 39 10.338 9.503 -4.012 1.00 0.00 O ATOM 0 H GLY A 39 12.233 12.900 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.224 12.031 -4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.119 11.152 -6.232 1.00 0.00 H new ATOM 607 N GLY A 40 12.414 9.716 -4.818 1.00 0.00 N ATOM 608 CA GLY A 40 12.866 8.469 -4.238 1.00 0.00 C ATOM 609 C GLY A 40 13.940 7.832 -5.087 1.00 0.00 C ATOM 610 O GLY A 40 14.734 7.025 -4.603 1.00 0.00 O ATOM 0 H GLY A 40 13.132 10.238 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.251 8.650 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.024 7.785 -4.138 1.00 0.00 H new ATOM 614 N GLU A 41 13.961 8.207 -6.359 1.00 0.00 N ATOM 615 CA GLU A 41 14.979 7.744 -7.286 1.00 0.00 C ATOM 616 C GLU A 41 16.223 8.613 -7.161 1.00 0.00 C ATOM 617 O GLU A 41 16.132 9.839 -7.170 1.00 0.00 O ATOM 618 CB GLU A 41 14.438 7.795 -8.716 1.00 0.00 C ATOM 619 CG GLU A 41 13.177 6.969 -8.911 1.00 0.00 C ATOM 620 CD GLU A 41 12.483 7.250 -10.227 1.00 0.00 C ATOM 621 OE1 GLU A 41 11.689 8.209 -10.290 1.00 0.00 O ATOM 622 OE2 GLU A 41 12.714 6.505 -11.200 1.00 0.00 O ATOM 0 H GLU A 41 13.275 8.838 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 41 15.244 6.714 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.230 8.831 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.207 7.439 -9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.431 5.910 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.487 7.171 -8.092 1.00 0.00 H new ATOM 629 N ILE A 42 17.374 7.980 -7.018 1.00 0.00 N ATOM 630 CA ILE A 42 18.636 8.698 -6.885 1.00 0.00 C ATOM 631 C ILE A 42 19.246 8.954 -8.253 1.00 0.00 C ATOM 632 O ILE A 42 19.325 8.049 -9.074 1.00 0.00 O ATOM 633 CB ILE A 42 19.649 7.908 -6.027 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.072 7.650 -4.637 1.00 0.00 C ATOM 635 CG2 ILE A 42 20.969 8.668 -5.928 1.00 0.00 C ATOM 636 CD1 ILE A 42 19.922 6.741 -3.779 1.00 0.00 C ATOM 0 H ILE A 42 17.464 6.964 -6.991 1.00 0.00 H new ATOM 0 HA ILE A 42 18.419 9.645 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 42 19.842 6.948 -6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.946 8.604 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.080 7.211 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.672 8.098 -5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.383 8.809 -6.926 1.00 0.00 H new ATOM 0 HG23 ILE A 42 20.795 9.640 -5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.445 6.607 -2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.028 5.773 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 42 20.907 7.187 -3.641 1.00 0.00 H new ATOM 648 N ILE A 43 19.653 10.187 -8.513 1.00 0.00 N ATOM 649 CA ILE A 43 20.330 10.503 -9.758 1.00 0.00 C ATOM 650 C ILE A 43 21.550 11.378 -9.481 1.00 0.00 C ATOM 651 O ILE A 43 21.486 12.306 -8.671 1.00 0.00 O ATOM 652 CB ILE A 43 19.413 11.227 -10.778 1.00 0.00 C ATOM 653 CG1 ILE A 43 18.048 10.542 -10.911 1.00 0.00 C ATOM 654 CG2 ILE A 43 20.084 11.274 -12.136 1.00 0.00 C ATOM 655 CD1 ILE A 43 17.015 11.045 -9.928 1.00 0.00 C ATOM 0 H ILE A 43 19.527 10.979 -7.883 1.00 0.00 H new ATOM 0 HA ILE A 43 20.629 9.552 -10.199 1.00 0.00 H new ATOM 0 HB ILE A 43 19.248 12.238 -10.405 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.675 10.690 -11.924 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.176 9.468 -10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.433 11.784 -12.846 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.028 11.813 -12.057 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.274 10.258 -12.483 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.076 10.514 -10.083 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.366 10.872 -8.911 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.857 12.113 -10.080 1.00 0.00 H new ATOM 667 N LEU A 44 22.666 11.064 -10.126 1.00 0.00 N ATOM 668 CA LEU A 44 23.853 11.899 -10.042 1.00 0.00 C ATOM 669 C LEU A 44 23.609 13.150 -10.882 1.00 0.00 C ATOM 670 O LEU A 44 22.932 13.079 -11.904 1.00 0.00 O ATOM 671 CB LEU A 44 25.073 11.114 -10.553 1.00 0.00 C ATOM 672 CG LEU A 44 26.434 11.516 -9.966 1.00 0.00 C ATOM 673 CD1 LEU A 44 27.462 10.429 -10.237 1.00 0.00 C ATOM 674 CD2 LEU A 44 26.918 12.837 -10.543 1.00 0.00 C ATOM 0 H LEU A 44 22.772 10.236 -10.713 1.00 0.00 H new ATOM 0 HA LEU A 44 24.054 12.190 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 44 24.910 10.056 -10.347 1.00 0.00 H new ATOM 0 HB3 LEU A 44 25.122 11.224 -11.636 1.00 0.00 H new ATOM 0 HG LEU A 44 26.310 11.640 -8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 44 28.423 10.724 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 44 27.136 9.497 -9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 44 27.565 10.286 -11.313 1.00 0.00 H new ATOM 0 HD21 LEU A 44 27.884 13.093 -10.107 1.00 0.00 H new ATOM 0 HD22 LEU A 44 27.021 12.746 -11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 44 26.197 13.621 -10.312 1.00 0.00 H new ATOM 686 N ARG A 45 24.152 14.288 -10.458 1.00 0.00 N ATOM 687 CA ARG A 45 23.885 15.565 -11.127 1.00 0.00 C ATOM 688 C ARG A 45 24.237 15.545 -12.616 1.00 0.00 C ATOM 689 O ARG A 45 23.712 16.351 -13.385 1.00 0.00 O ATOM 690 CB ARG A 45 24.625 16.709 -10.433 1.00 0.00 C ATOM 691 CG ARG A 45 23.691 17.686 -9.734 1.00 0.00 C ATOM 692 CD ARG A 45 22.674 18.255 -10.709 1.00 0.00 C ATOM 693 NE ARG A 45 21.807 19.258 -10.093 1.00 0.00 N ATOM 694 CZ ARG A 45 20.993 20.056 -10.783 1.00 0.00 C ATOM 695 NH1 ARG A 45 20.922 19.947 -12.106 1.00 0.00 N ATOM 696 NH2 ARG A 45 20.246 20.954 -10.152 1.00 0.00 N ATOM 0 H ARG A 45 24.779 14.356 -9.656 1.00 0.00 H new ATOM 0 HA ARG A 45 22.810 15.728 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.320 16.294 -9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 45 25.221 17.248 -11.170 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.175 17.181 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.270 18.497 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.197 18.702 -11.555 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.062 17.444 -11.105 1.00 0.00 H new ATOM 0 HE ARG A 45 21.826 19.352 -9.078 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.490 19.253 -12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.299 20.557 -12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.294 21.034 -9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.624 21.563 -10.683 1.00 0.00 H new ATOM 710 N GLU A 46 25.101 14.627 -13.024 1.00 0.00 N ATOM 711 CA GLU A 46 25.446 14.489 -14.436 1.00 0.00 C ATOM 712 C GLU A 46 24.276 13.871 -15.203 1.00 0.00 C ATOM 713 O GLU A 46 23.938 14.309 -16.300 1.00 0.00 O ATOM 714 CB GLU A 46 26.707 13.634 -14.603 1.00 0.00 C ATOM 715 CG GLU A 46 27.146 13.456 -16.049 1.00 0.00 C ATOM 716 CD GLU A 46 27.432 14.772 -16.746 1.00 0.00 C ATOM 717 OE1 GLU A 46 28.511 15.353 -16.513 1.00 0.00 O ATOM 718 OE2 GLU A 46 26.575 15.233 -17.530 1.00 0.00 O ATOM 0 H GLU A 46 25.574 13.970 -12.404 1.00 0.00 H new ATOM 0 HA GLU A 46 25.650 15.479 -14.843 1.00 0.00 H new ATOM 0 HB2 GLU A 46 27.521 14.091 -14.040 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.529 12.652 -14.165 1.00 0.00 H new ATOM 0 HG2 GLU A 46 28.040 12.834 -16.078 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.369 12.922 -16.596 1.00 0.00 H new ATOM 725 N ASN A 47 23.633 12.886 -14.592 1.00 0.00 N ATOM 726 CA ASN A 47 22.526 12.177 -15.228 1.00 0.00 C ATOM 727 C ASN A 47 21.198 12.876 -14.924 1.00 0.00 C ATOM 728 O ASN A 47 20.136 12.458 -15.390 1.00 0.00 O ATOM 729 CB ASN A 47 22.472 10.717 -14.745 1.00 0.00 C ATOM 730 CG ASN A 47 23.763 9.950 -14.990 1.00 0.00 C ATOM 731 OD1 ASN A 47 24.514 10.247 -15.921 1.00 0.00 O ATOM 732 ND2 ASN A 47 24.025 8.944 -14.167 1.00 0.00 N ATOM 0 H ASN A 47 23.858 12.557 -13.653 1.00 0.00 H new ATOM 0 HA ASN A 47 22.690 12.185 -16.306 1.00 0.00 H new ATOM 0 HB2 ASN A 47 22.247 10.703 -13.679 1.00 0.00 H new ATOM 0 HB3 ASN A 47 21.653 10.205 -15.250 1.00 0.00 H new ATOM 0 HD21 ASN A 47 24.871 8.388 -14.294 1.00 0.00 H new ATOM 0 HD22 ASN A 47 23.381 8.726 -13.407 1.00 0.00 H new ATOM 739 N LEU A 48 21.275 13.951 -14.139 1.00 0.00 N ATOM 740 CA LEU A 48 20.090 14.688 -13.696 1.00 0.00 C ATOM 741 C LEU A 48 19.353 15.325 -14.867 1.00 0.00 C ATOM 742 O LEU A 48 18.123 15.323 -14.907 1.00 0.00 O ATOM 743 CB LEU A 48 20.492 15.790 -12.710 1.00 0.00 C ATOM 744 CG LEU A 48 19.808 15.745 -11.339 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.299 15.646 -11.482 1.00 0.00 C ATOM 746 CD2 LEU A 48 20.339 14.593 -10.511 1.00 0.00 C ATOM 0 H LEU A 48 22.155 14.334 -13.794 1.00 0.00 H new ATOM 0 HA LEU A 48 19.426 13.972 -13.213 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.570 15.739 -12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.280 16.756 -13.169 1.00 0.00 H new ATOM 0 HG LEU A 48 20.038 16.677 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.841 15.616 -10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.928 16.513 -12.028 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.044 14.738 -12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.839 14.581 -9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.148 13.654 -11.030 1.00 0.00 H new ATOM 0 HD23 LEU A 48 21.412 14.715 -10.364 1.00 0.00 H new ATOM 758 N GLU A 49 20.117 15.870 -15.806 1.00 0.00 N ATOM 759 CA GLU A 49 19.560 16.616 -16.935 1.00 0.00 C ATOM 760 C GLU A 49 18.479 15.815 -17.663 1.00 0.00 C ATOM 761 O GLU A 49 17.340 16.271 -17.806 1.00 0.00 O ATOM 762 CB GLU A 49 20.685 16.995 -17.903 1.00 0.00 C ATOM 763 CG GLU A 49 20.221 17.760 -19.132 1.00 0.00 C ATOM 764 CD GLU A 49 19.426 19.000 -18.783 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.970 19.901 -18.109 1.00 0.00 O ATOM 766 OE2 GLU A 49 18.247 19.079 -19.179 1.00 0.00 O ATOM 0 H GLU A 49 21.135 15.810 -15.810 1.00 0.00 H new ATOM 0 HA GLU A 49 19.090 17.520 -16.548 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.420 17.598 -17.370 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.193 16.086 -18.225 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.089 18.045 -19.726 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.610 17.105 -19.754 1.00 0.00 H new ATOM 773 N ARG A 50 18.832 14.615 -18.102 1.00 0.00 N ATOM 774 CA ARG A 50 17.910 13.779 -18.861 1.00 0.00 C ATOM 775 C ARG A 50 16.709 13.379 -17.997 1.00 0.00 C ATOM 776 O ARG A 50 15.577 13.296 -18.480 1.00 0.00 O ATOM 777 CB ARG A 50 18.636 12.533 -19.370 1.00 0.00 C ATOM 778 CG ARG A 50 17.926 11.830 -20.516 1.00 0.00 C ATOM 779 CD ARG A 50 17.877 12.708 -21.759 1.00 0.00 C ATOM 780 NE ARG A 50 16.515 13.111 -22.099 1.00 0.00 N ATOM 781 CZ ARG A 50 16.167 13.700 -23.241 1.00 0.00 C ATOM 782 NH1 ARG A 50 17.088 14.033 -24.133 1.00 0.00 N ATOM 783 NH2 ARG A 50 14.891 13.966 -23.481 1.00 0.00 N ATOM 0 H ARG A 50 19.750 14.198 -17.946 1.00 0.00 H new ATOM 0 HA ARG A 50 17.543 14.349 -19.714 1.00 0.00 H new ATOM 0 HB2 ARG A 50 19.637 12.816 -19.695 1.00 0.00 H new ATOM 0 HB3 ARG A 50 18.755 11.831 -18.544 1.00 0.00 H new ATOM 0 HG2 ARG A 50 18.440 10.897 -20.747 1.00 0.00 H new ATOM 0 HG3 ARG A 50 16.912 11.569 -20.213 1.00 0.00 H new ATOM 0 HD2 ARG A 50 18.487 13.597 -21.598 1.00 0.00 H new ATOM 0 HD3 ARG A 50 18.315 12.169 -22.599 1.00 0.00 H new ATOM 0 HE ARG A 50 15.781 12.929 -21.415 1.00 0.00 H new ATOM 0 HH11 ARG A 50 18.072 13.838 -23.947 1.00 0.00 H new ATOM 0 HH12 ARG A 50 16.813 14.484 -25.006 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.180 13.720 -22.792 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.620 14.417 -24.355 1.00 0.00 H new ATOM 797 N TYR A 51 16.960 13.166 -16.711 1.00 0.00 N ATOM 798 CA TYR A 51 15.924 12.716 -15.787 1.00 0.00 C ATOM 799 C TYR A 51 14.877 13.807 -15.558 1.00 0.00 C ATOM 800 O TYR A 51 13.674 13.545 -15.621 1.00 0.00 O ATOM 801 CB TYR A 51 16.550 12.301 -14.456 1.00 0.00 C ATOM 802 CG TYR A 51 16.080 10.952 -13.969 1.00 0.00 C ATOM 803 CD1 TYR A 51 16.649 9.786 -14.462 1.00 0.00 C ATOM 804 CD2 TYR A 51 15.072 10.840 -13.018 1.00 0.00 C ATOM 805 CE1 TYR A 51 16.232 8.548 -14.021 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.652 9.601 -12.568 1.00 0.00 C ATOM 807 CZ TYR A 51 15.235 8.460 -13.076 1.00 0.00 C ATOM 808 OH TYR A 51 14.829 7.225 -12.635 1.00 0.00 O ATOM 0 H TYR A 51 17.876 13.298 -16.282 1.00 0.00 H new ATOM 0 HA TYR A 51 15.425 11.855 -16.232 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.635 12.283 -14.563 1.00 0.00 H new ATOM 0 HB3 TYR A 51 16.316 13.053 -13.702 1.00 0.00 H new ATOM 0 HD1 TYR A 51 17.432 9.849 -15.204 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.610 11.733 -12.625 1.00 0.00 H new ATOM 0 HE1 TYR A 51 16.686 7.651 -14.415 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.873 9.528 -11.824 1.00 0.00 H new ATOM 0 HH TYR A 51 13.908 7.282 -12.305 1.00 0.00 H new ATOM 818 N LEU A 52 15.341 15.027 -15.309 1.00 0.00 N ATOM 819 CA LEU A 52 14.441 16.158 -15.093 1.00 0.00 C ATOM 820 C LEU A 52 13.675 16.485 -16.366 1.00 0.00 C ATOM 821 O LEU A 52 12.573 17.021 -16.320 1.00 0.00 O ATOM 822 CB LEU A 52 15.217 17.396 -14.635 1.00 0.00 C ATOM 823 CG LEU A 52 15.838 17.309 -13.240 1.00 0.00 C ATOM 824 CD1 LEU A 52 16.631 18.573 -12.936 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.760 17.089 -12.188 1.00 0.00 C ATOM 0 H LEU A 52 16.333 15.259 -15.252 1.00 0.00 H new ATOM 0 HA LEU A 52 13.736 15.874 -14.312 1.00 0.00 H new ATOM 0 HB2 LEU A 52 16.012 17.591 -15.355 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.545 18.254 -14.661 1.00 0.00 H new ATOM 0 HG LEU A 52 16.518 16.458 -13.216 1.00 0.00 H new ATOM 0 HD11 LEU A 52 17.068 18.498 -11.940 1.00 0.00 H new ATOM 0 HD12 LEU A 52 17.426 18.690 -13.673 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.968 19.437 -12.977 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.221 17.030 -11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.055 17.920 -12.210 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.231 16.159 -12.398 1.00 0.00 H new ATOM 837 N ARG A 53 14.266 16.149 -17.499 1.00 0.00 N ATOM 838 CA ARG A 53 13.664 16.435 -18.791 1.00 0.00 C ATOM 839 C ARG A 53 12.491 15.494 -19.060 1.00 0.00 C ATOM 840 O ARG A 53 11.498 15.882 -19.685 1.00 0.00 O ATOM 841 CB ARG A 53 14.719 16.318 -19.894 1.00 0.00 C ATOM 842 CG ARG A 53 14.256 16.828 -21.248 1.00 0.00 C ATOM 843 CD ARG A 53 15.428 16.999 -22.200 1.00 0.00 C ATOM 844 NE ARG A 53 16.443 17.895 -21.648 1.00 0.00 N ATOM 845 CZ ARG A 53 17.028 18.883 -22.327 1.00 0.00 C ATOM 846 NH1 ARG A 53 16.791 19.051 -23.621 1.00 0.00 N ATOM 847 NH2 ARG A 53 17.872 19.694 -21.712 1.00 0.00 N ATOM 0 H ARG A 53 15.168 15.675 -17.551 1.00 0.00 H new ATOM 0 HA ARG A 53 13.279 17.455 -18.782 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.608 16.872 -19.593 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.013 15.273 -19.992 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.535 16.131 -21.675 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.742 17.781 -21.124 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.874 16.026 -22.407 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.071 17.395 -23.151 1.00 0.00 H new ATOM 0 HE ARG A 53 16.723 17.755 -20.677 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.155 18.421 -24.109 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.245 19.811 -24.128 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.074 19.563 -20.721 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.321 20.450 -22.229 1.00 0.00 H new ATOM 861 N GLU A 54 12.602 14.261 -18.575 1.00 0.00 N ATOM 862 CA GLU A 54 11.544 13.277 -18.764 1.00 0.00 C ATOM 863 C GLU A 54 10.527 13.293 -17.627 1.00 0.00 C ATOM 864 O GLU A 54 9.323 13.369 -17.872 1.00 0.00 O ATOM 865 CB GLU A 54 12.114 11.865 -18.910 1.00 0.00 C ATOM 866 CG GLU A 54 12.315 11.433 -20.352 1.00 0.00 C ATOM 867 CD GLU A 54 13.388 12.225 -21.060 1.00 0.00 C ATOM 868 OE1 GLU A 54 14.559 11.809 -21.003 1.00 0.00 O ATOM 869 OE2 GLU A 54 13.064 13.252 -21.693 1.00 0.00 O ATOM 0 H GLU A 54 13.409 13.922 -18.051 1.00 0.00 H new ATOM 0 HA GLU A 54 11.033 13.557 -19.685 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.069 11.813 -18.388 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.444 11.160 -18.419 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.576 10.375 -20.376 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.375 11.541 -20.893 1.00 0.00 H new ATOM 876 N GLN A 55 10.992 13.222 -16.389 1.00 0.00 N ATOM 877 CA GLN A 55 10.084 13.045 -15.268 1.00 0.00 C ATOM 878 C GLN A 55 9.626 14.381 -14.706 1.00 0.00 C ATOM 879 O GLN A 55 8.460 14.746 -14.878 1.00 0.00 O ATOM 880 CB GLN A 55 10.747 12.196 -14.184 1.00 0.00 C ATOM 881 CG GLN A 55 9.886 11.974 -12.947 1.00 0.00 C ATOM 882 CD GLN A 55 10.208 10.666 -12.256 1.00 0.00 C ATOM 883 OE1 GLN A 55 9.607 9.631 -12.555 1.00 0.00 O ATOM 884 NE2 GLN A 55 11.155 10.697 -11.340 1.00 0.00 N ATOM 0 H GLN A 55 11.979 13.283 -16.138 1.00 0.00 H new ATOM 0 HA GLN A 55 9.197 12.524 -15.628 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.010 11.227 -14.608 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.678 12.675 -13.883 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.035 12.798 -12.249 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.834 11.984 -13.232 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.627 11.575 -11.124 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.416 9.843 -10.847 1.00 0.00 H new ATOM 893 N LEU A 56 10.556 15.122 -14.084 1.00 0.00 N ATOM 894 CA LEU A 56 10.233 16.368 -13.369 1.00 0.00 C ATOM 895 C LEU A 56 8.898 16.234 -12.615 1.00 0.00 C ATOM 896 O LEU A 56 8.128 17.190 -12.507 1.00 0.00 O ATOM 897 CB LEU A 56 10.174 17.541 -14.363 1.00 0.00 C ATOM 898 CG LEU A 56 10.884 18.829 -13.919 1.00 0.00 C ATOM 899 CD1 LEU A 56 10.990 19.806 -15.080 1.00 0.00 C ATOM 900 CD2 LEU A 56 10.154 19.481 -12.753 1.00 0.00 C ATOM 0 H LEU A 56 11.546 14.878 -14.062 1.00 0.00 H new ATOM 0 HA LEU A 56 11.016 16.563 -12.637 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.610 17.215 -15.307 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.127 17.774 -14.559 1.00 0.00 H new ATOM 0 HG LEU A 56 11.888 18.562 -13.589 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.496 20.713 -14.748 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.559 19.349 -15.889 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.991 20.057 -15.436 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.678 20.391 -12.459 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.136 19.729 -13.054 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.125 18.790 -11.910 1.00 0.00 H new ATOM 912 N GLY A 57 8.627 15.045 -12.089 1.00 0.00 N ATOM 913 CA GLY A 57 7.315 14.782 -11.533 1.00 0.00 C ATOM 914 C GLY A 57 7.339 14.042 -10.213 1.00 0.00 C ATOM 915 O GLY A 57 6.291 13.590 -9.747 1.00 0.00 O ATOM 0 H GLY A 57 9.285 14.267 -12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.794 15.729 -11.396 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.737 14.201 -12.252 1.00 0.00 H new ATOM 919 N PHE A 58 8.525 13.913 -9.619 1.00 0.00 N ATOM 920 CA PHE A 58 8.677 13.320 -8.287 1.00 0.00 C ATOM 921 C PHE A 58 8.126 11.896 -8.259 1.00 0.00 C ATOM 922 O PHE A 58 8.003 11.237 -9.295 1.00 0.00 O ATOM 923 CB PHE A 58 7.943 14.164 -7.231 1.00 0.00 C ATOM 924 CG PHE A 58 7.883 15.634 -7.535 1.00 0.00 C ATOM 925 CD1 PHE A 58 9.031 16.358 -7.800 1.00 0.00 C ATOM 926 CD2 PHE A 58 6.661 16.284 -7.566 1.00 0.00 C ATOM 927 CE1 PHE A 58 8.960 17.707 -8.086 1.00 0.00 C ATOM 928 CE2 PHE A 58 6.584 17.631 -7.851 1.00 0.00 C ATOM 929 CZ PHE A 58 7.736 18.344 -8.110 1.00 0.00 C ATOM 0 H PHE A 58 9.403 14.214 -10.042 1.00 0.00 H new ATOM 0 HA PHE A 58 9.742 13.297 -8.056 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.926 13.786 -7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.435 14.025 -6.268 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.991 15.864 -7.783 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.757 15.729 -7.364 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.862 18.264 -8.291 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.624 18.126 -7.871 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.680 19.400 -8.331 1.00 0.00 H new ATOM 939 N GLU A 59 7.803 11.423 -7.066 1.00 0.00 N ATOM 940 CA GLU A 59 7.084 10.175 -6.915 1.00 0.00 C ATOM 941 C GLU A 59 5.621 10.498 -6.649 1.00 0.00 C ATOM 942 O GLU A 59 5.244 10.885 -5.539 1.00 0.00 O ATOM 943 CB GLU A 59 7.675 9.346 -5.773 1.00 0.00 C ATOM 944 CG GLU A 59 6.982 8.012 -5.549 1.00 0.00 C ATOM 945 CD GLU A 59 7.138 7.051 -6.714 1.00 0.00 C ATOM 946 OE1 GLU A 59 6.396 7.186 -7.709 1.00 0.00 O ATOM 947 OE2 GLU A 59 7.981 6.132 -6.622 1.00 0.00 O ATOM 0 H GLU A 59 8.030 11.889 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 59 7.172 9.582 -7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.730 9.165 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.625 9.928 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.384 7.548 -4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.921 8.187 -5.371 1.00 0.00 H new ATOM 954 N PHE A 60 4.807 10.362 -7.677 1.00 0.00 N ATOM 955 CA PHE A 60 3.412 10.750 -7.602 1.00 0.00 C ATOM 956 C PHE A 60 2.551 9.532 -7.325 1.00 0.00 C ATOM 957 O PHE A 60 2.117 8.839 -8.244 1.00 0.00 O ATOM 958 CB PHE A 60 2.979 11.431 -8.902 1.00 0.00 C ATOM 959 CG PHE A 60 2.085 12.619 -8.688 1.00 0.00 C ATOM 960 CD1 PHE A 60 2.629 13.878 -8.489 1.00 0.00 C ATOM 961 CD2 PHE A 60 0.708 12.482 -8.686 1.00 0.00 C ATOM 962 CE1 PHE A 60 1.817 14.978 -8.290 1.00 0.00 C ATOM 963 CE2 PHE A 60 -0.112 13.578 -8.488 1.00 0.00 C ATOM 964 CZ PHE A 60 0.443 14.827 -8.289 1.00 0.00 C ATOM 0 H PHE A 60 5.090 9.983 -8.581 1.00 0.00 H new ATOM 0 HA PHE A 60 3.285 11.461 -6.785 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.866 11.748 -9.450 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.461 10.705 -9.528 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.702 14.001 -8.489 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.268 11.508 -8.841 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.255 15.953 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.185 13.457 -8.489 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.195 15.684 -8.133 1.00 0.00 H new ATOM 974 N LYS A 61 2.333 9.264 -6.053 1.00 0.00 N ATOM 975 CA LYS A 61 1.611 8.077 -5.637 1.00 0.00 C ATOM 976 C LYS A 61 0.110 8.317 -5.613 1.00 0.00 C ATOM 977 O LYS A 61 -0.355 9.427 -5.351 1.00 0.00 O ATOM 978 CB LYS A 61 2.074 7.629 -4.248 1.00 0.00 C ATOM 979 CG LYS A 61 3.507 7.123 -4.198 1.00 0.00 C ATOM 980 CD LYS A 61 3.662 5.806 -4.939 1.00 0.00 C ATOM 981 CE LYS A 61 5.046 5.217 -4.742 1.00 0.00 C ATOM 982 NZ LYS A 61 5.231 3.964 -5.517 1.00 0.00 N ATOM 0 H LYS A 61 2.648 9.856 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 61 1.825 7.295 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.972 8.466 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.410 6.840 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.172 7.868 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.812 6.995 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.911 5.099 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.480 5.962 -6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.797 5.946 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.207 5.016 -3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.189 3.594 -5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.531 3.259 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.103 4.160 -6.530 1.00 0.00 H new ATOM 996 N ASN A 62 -0.631 7.269 -5.919 1.00 0.00 N ATOM 997 CA ASN A 62 -2.065 7.248 -5.700 1.00 0.00 C ATOM 998 C ASN A 62 -2.378 6.120 -4.733 1.00 0.00 C ATOM 999 O ASN A 62 -1.761 5.057 -4.806 1.00 0.00 O ATOM 1000 CB ASN A 62 -2.834 7.035 -7.011 1.00 0.00 C ATOM 1001 CG ASN A 62 -2.811 8.239 -7.937 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -2.762 9.385 -7.498 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -2.852 7.982 -9.236 1.00 0.00 N ATOM 0 H ASN A 62 -0.258 6.411 -6.325 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.377 8.209 -5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.411 6.178 -7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.870 6.787 -6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.843 8.749 -9.908 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.892 7.017 -9.564 1.00 0.00 H new ATOM 1010 N ALA A 63 -3.324 6.339 -3.832 1.00 0.00 N ATOM 1011 CA ALA A 63 -3.700 5.317 -2.857 1.00 0.00 C ATOM 1012 C ALA A 63 -4.407 4.149 -3.533 1.00 0.00 C ATOM 1013 O ALA A 63 -4.630 3.103 -2.916 1.00 0.00 O ATOM 1014 CB ALA A 63 -4.584 5.910 -1.774 1.00 0.00 C ATOM 0 H ALA A 63 -3.846 7.212 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.786 4.943 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.853 5.133 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.045 6.706 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.489 6.317 -2.225 1.00 0.00 H new ATOM 1477 N ASP B 19 3.622 -0.513 7.051 1.00 0.00 N ATOM 1478 CA ASP B 19 3.827 0.426 5.953 1.00 0.00 C ATOM 1479 C ASP B 19 3.391 1.817 6.387 1.00 0.00 C ATOM 1480 O ASP B 19 3.063 2.672 5.565 1.00 0.00 O ATOM 1481 CB ASP B 19 3.047 0.000 4.703 1.00 0.00 C ATOM 1482 CG ASP B 19 3.616 -1.239 4.038 1.00 0.00 C ATOM 1483 OD1 ASP B 19 4.789 -1.204 3.605 1.00 0.00 O ATOM 1484 OD2 ASP B 19 2.891 -2.250 3.934 1.00 0.00 O ATOM 0 HA ASP B 19 4.887 0.434 5.701 1.00 0.00 H new ATOM 0 HB2 ASP B 19 2.009 -0.187 4.977 1.00 0.00 H new ATOM 0 HB3 ASP B 19 3.045 0.821 3.986 1.00 0.00 H new ATOM 1489 N VAL B 20 3.404 2.034 7.695 1.00 0.00 N ATOM 1490 CA VAL B 20 2.970 3.297 8.271 1.00 0.00 C ATOM 1491 C VAL B 20 4.024 4.385 8.078 1.00 0.00 C ATOM 1492 O VAL B 20 5.198 4.211 8.420 1.00 0.00 O ATOM 1493 CB VAL B 20 2.650 3.149 9.776 1.00 0.00 C ATOM 1494 CG1 VAL B 20 2.213 4.480 10.372 1.00 0.00 C ATOM 1495 CG2 VAL B 20 1.581 2.088 9.994 1.00 0.00 C ATOM 0 H VAL B 20 3.713 1.345 8.381 1.00 0.00 H new ATOM 0 HA VAL B 20 2.061 3.590 7.746 1.00 0.00 H new ATOM 0 HB VAL B 20 3.560 2.832 10.286 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.994 4.350 11.432 1.00 0.00 H new ATOM 0 HG12 VAL B 20 3.013 5.211 10.254 1.00 0.00 H new ATOM 0 HG13 VAL B 20 1.320 4.833 9.857 1.00 0.00 H new ATOM 0 HG21 VAL B 20 1.369 1.998 11.059 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.671 2.374 9.466 1.00 0.00 H new ATOM 0 HG23 VAL B 20 1.936 1.130 9.613 1.00 0.00 H new ATOM 1505 N GLN B 21 3.590 5.500 7.516 1.00 0.00 N ATOM 1506 CA GLN B 21 4.449 6.651 7.288 1.00 0.00 C ATOM 1507 C GLN B 21 3.710 7.921 7.692 1.00 0.00 C ATOM 1508 O GLN B 21 2.527 7.874 8.016 1.00 0.00 O ATOM 1509 CB GLN B 21 4.861 6.710 5.813 1.00 0.00 C ATOM 1510 CG GLN B 21 3.689 6.545 4.860 1.00 0.00 C ATOM 1511 CD GLN B 21 4.086 6.626 3.404 1.00 0.00 C ATOM 1512 OE1 GLN B 21 5.202 6.277 3.024 1.00 0.00 O ATOM 1513 NE2 GLN B 21 3.166 7.086 2.576 1.00 0.00 N ATOM 0 H GLN B 21 2.628 5.634 7.204 1.00 0.00 H new ATOM 0 HA GLN B 21 5.351 6.561 7.893 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.350 7.664 5.616 1.00 0.00 H new ATOM 0 HB3 GLN B 21 5.595 5.929 5.615 1.00 0.00 H new ATOM 0 HG2 GLN B 21 3.211 5.583 5.046 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.947 7.315 5.071 1.00 0.00 H new ATOM 0 HE21 GLN B 21 2.252 7.365 2.933 1.00 0.00 H new ATOM 0 HE22 GLN B 21 3.369 7.162 1.579 1.00 0.00 H new ATOM 1522 N ILE B 22 4.399 9.047 7.695 1.00 0.00 N ATOM 1523 CA ILE B 22 3.760 10.314 8.008 1.00 0.00 C ATOM 1524 C ILE B 22 4.116 11.347 6.952 1.00 0.00 C ATOM 1525 O ILE B 22 5.215 11.313 6.393 1.00 0.00 O ATOM 1526 CB ILE B 22 4.173 10.861 9.394 1.00 0.00 C ATOM 1527 CG1 ILE B 22 4.101 9.779 10.470 1.00 0.00 C ATOM 1528 CG2 ILE B 22 3.270 12.017 9.787 1.00 0.00 C ATOM 1529 CD1 ILE B 22 4.377 10.315 11.855 1.00 0.00 C ATOM 0 H ILE B 22 5.395 9.112 7.486 1.00 0.00 H new ATOM 0 HA ILE B 22 2.686 10.129 8.024 1.00 0.00 H new ATOM 0 HB ILE B 22 5.205 11.203 9.318 1.00 0.00 H new ATOM 0 HG12 ILE B 22 3.112 9.320 10.453 1.00 0.00 H new ATOM 0 HG13 ILE B 22 4.821 8.994 10.239 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.568 12.396 10.765 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.356 12.813 9.048 1.00 0.00 H new ATOM 0 HG23 ILE B 22 2.237 11.673 9.831 1.00 0.00 H new ATOM 0 HD11 ILE B 22 4.312 9.503 12.579 1.00 0.00 H new ATOM 0 HD12 ILE B 22 5.376 10.749 11.885 1.00 0.00 H new ATOM 0 HD13 ILE B 22 3.642 11.081 12.102 1.00 0.00 H new ATOM 1541 N ASP B 23 3.190 12.246 6.657 1.00 0.00 N ATOM 1542 CA ASP B 23 3.471 13.339 5.749 1.00 0.00 C ATOM 1543 C ASP B 23 4.283 14.417 6.478 1.00 0.00 C ATOM 1544 O ASP B 23 4.571 14.291 7.673 1.00 0.00 O ATOM 1545 CB ASP B 23 2.165 13.926 5.193 1.00 0.00 C ATOM 1546 CG ASP B 23 1.680 15.134 5.967 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.289 14.984 7.139 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.717 16.243 5.401 1.00 0.00 O ATOM 0 H ASP B 23 2.242 12.238 7.033 1.00 0.00 H new ATOM 0 HA ASP B 23 4.055 12.964 4.909 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.314 14.206 4.150 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.392 13.157 5.209 1.00 0.00 H new ATOM 1553 N PHE B 24 4.637 15.468 5.761 1.00 0.00 N ATOM 1554 CA PHE B 24 5.467 16.540 6.292 1.00 0.00 C ATOM 1555 C PHE B 24 4.774 17.280 7.441 1.00 0.00 C ATOM 1556 O PHE B 24 5.436 17.845 8.311 1.00 0.00 O ATOM 1557 CB PHE B 24 5.810 17.520 5.158 1.00 0.00 C ATOM 1558 CG PHE B 24 6.778 18.603 5.544 1.00 0.00 C ATOM 1559 CD1 PHE B 24 8.142 18.373 5.513 1.00 0.00 C ATOM 1560 CD2 PHE B 24 6.323 19.855 5.931 1.00 0.00 C ATOM 1561 CE1 PHE B 24 9.035 19.367 5.862 1.00 0.00 C ATOM 1562 CE2 PHE B 24 7.210 20.853 6.282 1.00 0.00 C ATOM 1563 CZ PHE B 24 8.569 20.608 6.249 1.00 0.00 C ATOM 0 H PHE B 24 4.357 15.605 4.790 1.00 0.00 H new ATOM 0 HA PHE B 24 6.380 16.101 6.695 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.227 16.958 4.322 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.889 17.982 4.803 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.513 17.404 5.212 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.261 20.052 5.958 1.00 0.00 H new ATOM 0 HE1 PHE B 24 10.097 19.174 5.832 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.842 21.823 6.582 1.00 0.00 H new ATOM 0 HZ PHE B 24 9.266 21.386 6.525 1.00 0.00 H new ATOM 1573 N TYR B 25 3.447 17.269 7.456 1.00 0.00 N ATOM 1574 CA TYR B 25 2.702 18.067 8.421 1.00 0.00 C ATOM 1575 C TYR B 25 2.231 17.258 9.635 1.00 0.00 C ATOM 1576 O TYR B 25 1.635 17.821 10.555 1.00 0.00 O ATOM 1577 CB TYR B 25 1.520 18.757 7.737 1.00 0.00 C ATOM 1578 CG TYR B 25 1.950 19.784 6.713 1.00 0.00 C ATOM 1579 CD1 TYR B 25 2.211 19.414 5.400 1.00 0.00 C ATOM 1580 CD2 TYR B 25 2.108 21.120 7.063 1.00 0.00 C ATOM 1581 CE1 TYR B 25 2.616 20.343 4.467 1.00 0.00 C ATOM 1582 CE2 TYR B 25 2.510 22.057 6.132 1.00 0.00 C ATOM 1583 CZ TYR B 25 2.763 21.662 4.836 1.00 0.00 C ATOM 1584 OH TYR B 25 3.165 22.589 3.904 1.00 0.00 O ATOM 0 H TYR B 25 2.869 16.722 6.818 1.00 0.00 H new ATOM 0 HA TYR B 25 3.389 18.821 8.805 1.00 0.00 H new ATOM 0 HB2 TYR B 25 0.898 18.005 7.251 1.00 0.00 H new ATOM 0 HB3 TYR B 25 0.902 19.242 8.493 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.095 18.381 5.106 1.00 0.00 H new ATOM 0 HD2 TYR B 25 1.913 21.430 8.079 1.00 0.00 H new ATOM 0 HE1 TYR B 25 2.817 20.039 3.451 1.00 0.00 H new ATOM 0 HE2 TYR B 25 2.625 23.092 6.417 1.00 0.00 H new ATOM 0 HH TYR B 25 2.509 22.628 3.177 1.00 0.00 H new ATOM 1594 N GLY B 26 2.502 15.957 9.660 1.00 0.00 N ATOM 1595 CA GLY B 26 2.202 15.180 10.844 1.00 0.00 C ATOM 1596 C GLY B 26 0.906 14.401 10.750 1.00 0.00 C ATOM 1597 O GLY B 26 0.333 14.021 11.772 1.00 0.00 O ATOM 0 H GLY B 26 2.919 15.434 8.890 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.021 14.485 11.028 1.00 0.00 H new ATOM 0 HA3 GLY B 26 2.152 15.849 11.703 1.00 0.00 H new ATOM 1601 N ASP B 27 0.429 14.163 9.539 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.722 13.292 9.351 1.00 0.00 C ATOM 1603 C ASP B 27 -0.243 11.878 9.081 1.00 0.00 C ATOM 1604 O ASP B 27 0.613 11.661 8.223 1.00 0.00 O ATOM 1605 CB ASP B 27 -1.618 13.771 8.208 1.00 0.00 C ATOM 1606 CG ASP B 27 -2.864 12.914 8.071 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -3.735 12.980 8.968 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -2.977 12.165 7.084 1.00 0.00 O ATOM 0 H ASP B 27 0.815 14.555 8.680 1.00 0.00 H new ATOM 0 HA ASP B 27 -1.318 13.315 10.263 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -1.907 14.807 8.383 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -1.058 13.750 7.273 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.774 10.924 9.830 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.340 9.543 9.714 1.00 0.00 C ATOM 1615 C GLU B 28 -0.855 8.935 8.413 1.00 0.00 C ATOM 1616 O GLU B 28 -2.015 8.534 8.312 1.00 0.00 O ATOM 1617 CB GLU B 28 -0.818 8.730 10.919 1.00 0.00 C ATOM 1618 CG GLU B 28 -0.044 7.439 11.114 1.00 0.00 C ATOM 1619 CD GLU B 28 -0.581 6.603 12.259 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -1.609 5.912 12.075 1.00 0.00 O ATOM 1621 OE2 GLU B 28 0.017 6.641 13.357 1.00 0.00 O ATOM 0 H GLU B 28 -1.505 11.082 10.523 1.00 0.00 H new ATOM 0 HA GLU B 28 0.750 9.519 9.697 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.729 9.339 11.819 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.876 8.497 10.796 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.081 6.855 10.194 1.00 0.00 H new ATOM 0 HG3 GLU B 28 1.004 7.673 11.301 1.00 0.00 H new ATOM 1628 N VAL B 29 0.016 8.886 7.420 1.00 0.00 N ATOM 1629 CA VAL B 29 -0.349 8.431 6.091 1.00 0.00 C ATOM 1630 C VAL B 29 -0.223 6.917 5.992 1.00 0.00 C ATOM 1631 O VAL B 29 0.870 6.362 6.107 1.00 0.00 O ATOM 1632 CB VAL B 29 0.539 9.097 5.017 1.00 0.00 C ATOM 1633 CG1 VAL B 29 0.101 8.701 3.619 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.515 10.607 5.165 1.00 0.00 C ATOM 0 H VAL B 29 0.994 9.160 7.513 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.386 8.716 5.914 1.00 0.00 H new ATOM 0 HB VAL B 29 1.560 8.745 5.166 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.745 9.186 2.885 1.00 0.00 H new ATOM 0 HG12 VAL B 29 0.174 7.619 3.508 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.931 9.014 3.459 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.147 11.058 4.399 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.507 10.968 5.051 1.00 0.00 H new ATOM 0 HG23 VAL B 29 0.888 10.882 6.151 1.00 0.00 H new ATOM 1644 N THR B 30 -1.345 6.253 5.801 1.00 0.00 N ATOM 1645 CA THR B 30 -1.359 4.809 5.662 1.00 0.00 C ATOM 1646 C THR B 30 -1.518 4.426 4.188 1.00 0.00 C ATOM 1647 O THR B 30 -1.712 5.301 3.343 1.00 0.00 O ATOM 1648 CB THR B 30 -2.486 4.184 6.517 1.00 0.00 C ATOM 1649 OG1 THR B 30 -3.768 4.679 6.108 1.00 0.00 O ATOM 1650 CG2 THR B 30 -2.268 4.486 7.993 1.00 0.00 C ATOM 0 H THR B 30 -2.264 6.692 5.738 1.00 0.00 H new ATOM 0 HA THR B 30 -0.409 4.415 6.024 1.00 0.00 H new ATOM 0 HB THR B 30 -2.461 3.105 6.367 1.00 0.00 H new ATOM 0 HG1 THR B 30 -3.816 5.643 6.278 1.00 0.00 H new ATOM 0 HG21 THR B 30 -3.071 4.038 8.578 1.00 0.00 H new ATOM 0 HG22 THR B 30 -1.312 4.071 8.312 1.00 0.00 H new ATOM 0 HG23 THR B 30 -2.265 5.565 8.147 1.00 0.00 H new ATOM 1658 N PRO B 31 -1.405 3.126 3.850 1.00 0.00 N ATOM 1659 CA PRO B 31 -1.564 2.633 2.468 1.00 0.00 C ATOM 1660 C PRO B 31 -2.830 3.135 1.759 1.00 0.00 C ATOM 1661 O PRO B 31 -2.887 3.152 0.528 1.00 0.00 O ATOM 1662 CB PRO B 31 -1.631 1.117 2.643 1.00 0.00 C ATOM 1663 CG PRO B 31 -0.852 0.844 3.881 1.00 0.00 C ATOM 1664 CD PRO B 31 -1.055 2.033 4.780 1.00 0.00 C ATOM 0 HA PRO B 31 -0.749 2.988 1.837 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -2.661 0.775 2.740 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -1.203 0.600 1.784 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -1.197 -0.071 4.363 1.00 0.00 H new ATOM 0 HG3 PRO B 31 0.205 0.705 3.653 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -1.850 1.855 5.504 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -0.153 2.264 5.347 1.00 0.00 H new ATOM 1672 N VAL B 32 -3.839 3.538 2.523 1.00 0.00 N ATOM 1673 CA VAL B 32 -5.096 3.995 1.939 1.00 0.00 C ATOM 1674 C VAL B 32 -5.184 5.519 1.897 1.00 0.00 C ATOM 1675 O VAL B 32 -6.223 6.080 1.542 1.00 0.00 O ATOM 1676 CB VAL B 32 -6.314 3.434 2.700 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -6.368 1.922 2.576 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -6.280 3.849 4.162 1.00 0.00 C ATOM 0 H VAL B 32 -3.813 3.558 3.542 1.00 0.00 H new ATOM 0 HA VAL B 32 -5.112 3.616 0.917 1.00 0.00 H new ATOM 0 HB VAL B 32 -7.216 3.851 2.251 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -7.234 1.543 3.119 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -6.450 1.646 1.525 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -5.459 1.490 2.995 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -7.150 3.441 4.676 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -5.371 3.468 4.627 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -6.295 4.937 4.232 1.00 0.00 H new ATOM 1688 N ASP B 33 -4.093 6.190 2.248 1.00 0.00 N ATOM 1689 CA ASP B 33 -4.048 7.648 2.208 1.00 0.00 C ATOM 1690 C ASP B 33 -3.303 8.120 0.972 1.00 0.00 C ATOM 1691 O ASP B 33 -2.155 7.743 0.748 1.00 0.00 O ATOM 1692 CB ASP B 33 -3.375 8.221 3.458 1.00 0.00 C ATOM 1693 CG ASP B 33 -4.213 8.053 4.705 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -5.190 8.810 4.877 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -3.895 7.169 5.525 1.00 0.00 O ATOM 0 H ASP B 33 -3.229 5.749 2.563 1.00 0.00 H new ATOM 0 HA ASP B 33 -5.077 8.007 2.174 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -2.413 7.730 3.604 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -3.172 9.281 3.302 1.00 0.00 H new ATOM 1700 N ASP B 34 -3.970 8.935 0.170 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.383 9.458 -1.057 1.00 0.00 C ATOM 1702 C ASP B 34 -2.265 10.447 -0.729 1.00 0.00 C ATOM 1703 O ASP B 34 -2.492 11.452 -0.047 1.00 0.00 O ATOM 1704 CB ASP B 34 -4.464 10.140 -1.902 1.00 0.00 C ATOM 1705 CG ASP B 34 -4.365 9.781 -3.369 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -4.705 8.634 -3.732 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -3.972 10.648 -4.168 1.00 0.00 O ATOM 0 H ASP B 34 -4.924 9.251 0.347 1.00 0.00 H new ATOM 0 HA ASP B 34 -2.958 8.631 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -5.447 9.855 -1.527 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -4.381 11.221 -1.789 1.00 0.00 H new ATOM 1712 N TYR B 35 -1.062 10.168 -1.213 1.00 0.00 N ATOM 1713 CA TYR B 35 0.101 10.982 -0.874 1.00 0.00 C ATOM 1714 C TYR B 35 1.056 11.089 -2.057 1.00 0.00 C ATOM 1715 O TYR B 35 1.012 10.279 -2.978 1.00 0.00 O ATOM 1716 CB TYR B 35 0.842 10.376 0.322 1.00 0.00 C ATOM 1717 CG TYR B 35 1.611 9.113 -0.011 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.968 7.885 -0.128 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.983 9.156 -0.223 1.00 0.00 C ATOM 1720 CE1 TYR B 35 1.674 6.739 -0.443 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.694 8.017 -0.541 1.00 0.00 C ATOM 1722 CZ TYR B 35 3.036 6.811 -0.649 1.00 0.00 C ATOM 1723 OH TYR B 35 3.744 5.676 -0.965 1.00 0.00 O ATOM 0 H TYR B 35 -0.865 9.388 -1.839 1.00 0.00 H new ATOM 0 HA TYR B 35 -0.253 11.980 -0.617 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.534 11.117 0.722 1.00 0.00 H new ATOM 0 HB3 TYR B 35 0.122 10.155 1.110 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.099 7.826 0.030 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.503 10.099 -0.137 1.00 0.00 H new ATOM 0 HE1 TYR B 35 1.162 5.792 -0.527 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.760 8.070 -0.704 1.00 0.00 H new ATOM 0 HH TYR B 35 4.691 5.902 -1.078 1.00 0.00 H new ATOM 1733 N VAL B 36 1.925 12.087 -2.013 1.00 0.00 N ATOM 1734 CA VAL B 36 2.953 12.272 -3.028 1.00 0.00 C ATOM 1735 C VAL B 36 4.283 12.585 -2.356 1.00 0.00 C ATOM 1736 O VAL B 36 4.312 13.253 -1.324 1.00 0.00 O ATOM 1737 CB VAL B 36 2.572 13.406 -4.009 1.00 0.00 C ATOM 1738 CG1 VAL B 36 3.726 13.766 -4.929 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.371 12.994 -4.833 1.00 0.00 C ATOM 0 H VAL B 36 1.938 12.791 -1.275 1.00 0.00 H new ATOM 0 HA VAL B 36 3.042 11.349 -3.601 1.00 0.00 H new ATOM 0 HB VAL B 36 2.328 14.288 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL B 36 3.418 14.566 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL B 36 4.576 14.100 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.013 12.891 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.109 13.798 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.610 12.094 -5.400 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.528 12.793 -4.172 1.00 0.00 H new ATOM 1749 N ILE B 37 5.376 12.086 -2.917 1.00 0.00 N ATOM 1750 CA ILE B 37 6.684 12.293 -2.317 1.00 0.00 C ATOM 1751 C ILE B 37 7.526 13.250 -3.148 1.00 0.00 C ATOM 1752 O ILE B 37 7.880 12.951 -4.293 1.00 0.00 O ATOM 1753 CB ILE B 37 7.441 10.960 -2.123 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.667 10.051 -1.164 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.848 11.212 -1.598 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.377 8.753 -0.853 1.00 0.00 C ATOM 0 H ILE B 37 5.383 11.540 -3.779 1.00 0.00 H new ATOM 0 HA ILE B 37 6.515 12.736 -1.336 1.00 0.00 H new ATOM 0 HB ILE B 37 7.523 10.463 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.487 10.589 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.692 9.827 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.364 10.261 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.397 11.828 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.792 11.728 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.770 8.161 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.533 8.194 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.341 8.967 -0.391 1.00 0.00 H new ATOM 1768 N ASP B 38 7.851 14.397 -2.563 1.00 0.00 N ATOM 1769 CA ASP B 38 8.674 15.391 -3.242 1.00 0.00 C ATOM 1770 C ASP B 38 10.128 15.191 -2.861 1.00 0.00 C ATOM 1771 O ASP B 38 10.597 15.693 -1.839 1.00 0.00 O ATOM 1772 CB ASP B 38 8.231 16.825 -2.913 1.00 0.00 C ATOM 1773 CG ASP B 38 9.049 17.879 -3.657 1.00 0.00 C ATOM 1774 OD1 ASP B 38 9.598 17.561 -4.733 1.00 0.00 O ATOM 1775 OD2 ASP B 38 9.145 19.027 -3.167 1.00 0.00 O ATOM 0 H ASP B 38 7.558 14.661 -1.622 1.00 0.00 H new ATOM 0 HA ASP B 38 8.551 15.253 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.177 16.943 -3.166 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.321 16.992 -1.840 1.00 0.00 H new ATOM 1780 N GLY B 39 10.810 14.371 -3.645 1.00 0.00 N ATOM 1781 CA GLY B 39 12.226 14.145 -3.441 1.00 0.00 C ATOM 1782 C GLY B 39 12.520 13.125 -2.360 1.00 0.00 C ATOM 1783 O GLY B 39 13.475 12.361 -2.461 1.00 0.00 O ATOM 0 H GLY B 39 10.405 13.854 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY B 39 12.672 13.811 -4.378 1.00 0.00 H new ATOM 0 HA3 GLY B 39 12.704 15.089 -3.180 1.00 0.00 H new ATOM 1787 N GLY B 40 11.685 13.099 -1.340 1.00 0.00 N ATOM 1788 CA GLY B 40 11.926 12.258 -0.189 1.00 0.00 C ATOM 1789 C GLY B 40 10.970 12.599 0.927 1.00 0.00 C ATOM 1790 O GLY B 40 10.673 11.773 1.790 1.00 0.00 O ATOM 0 H GLY B 40 10.831 13.654 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY B 40 11.810 11.210 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY B 40 12.953 12.386 0.153 1.00 0.00 H new ATOM 1794 N GLU B 41 10.484 13.831 0.901 1.00 0.00 N ATOM 1795 CA GLU B 41 9.474 14.270 1.840 1.00 0.00 C ATOM 1796 C GLU B 41 8.097 13.843 1.362 1.00 0.00 C ATOM 1797 O GLU B 41 7.764 13.982 0.187 1.00 0.00 O ATOM 1798 CB GLU B 41 9.534 15.788 2.019 1.00 0.00 C ATOM 1799 CG GLU B 41 10.833 16.261 2.640 1.00 0.00 C ATOM 1800 CD GLU B 41 11.140 15.542 3.935 1.00 0.00 C ATOM 1801 OE1 GLU B 41 10.493 15.848 4.953 1.00 0.00 O ATOM 1802 OE2 GLU B 41 12.026 14.658 3.938 1.00 0.00 O ATOM 0 H GLU B 41 10.778 14.545 0.234 1.00 0.00 H new ATOM 0 HA GLU B 41 9.668 13.804 2.806 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.406 16.268 1.049 1.00 0.00 H new ATOM 0 HB3 GLU B 41 8.701 16.108 2.645 1.00 0.00 H new ATOM 0 HG2 GLU B 41 11.650 16.103 1.936 1.00 0.00 H new ATOM 0 HG3 GLU B 41 10.776 17.333 2.826 1.00 0.00 H new ATOM 1809 N ILE B 42 7.316 13.310 2.279 1.00 0.00 N ATOM 1810 CA ILE B 42 5.978 12.833 1.978 1.00 0.00 C ATOM 1811 C ILE B 42 4.968 13.938 2.232 1.00 0.00 C ATOM 1812 O ILE B 42 4.990 14.568 3.282 1.00 0.00 O ATOM 1813 CB ILE B 42 5.616 11.611 2.851 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.656 10.504 2.669 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.222 11.101 2.509 1.00 0.00 C ATOM 1816 CD1 ILE B 42 6.467 9.330 3.600 1.00 0.00 C ATOM 0 H ILE B 42 7.589 13.194 3.255 1.00 0.00 H new ATOM 0 HA ILE B 42 5.953 12.537 0.929 1.00 0.00 H new ATOM 0 HB ILE B 42 5.617 11.919 3.897 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.618 10.149 1.639 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.650 10.923 2.825 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.986 10.240 3.135 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.492 11.890 2.687 1.00 0.00 H new ATOM 0 HG23 ILE B 42 4.189 10.807 1.460 1.00 0.00 H new ATOM 0 HD11 ILE B 42 7.242 8.587 3.411 1.00 0.00 H new ATOM 0 HD12 ILE B 42 6.535 9.670 4.633 1.00 0.00 H new ATOM 0 HD13 ILE B 42 5.487 8.884 3.429 1.00 0.00 H new ATOM 1828 N ILE B 43 4.107 14.200 1.269 1.00 0.00 N ATOM 1829 CA ILE B 43 3.055 15.178 1.458 1.00 0.00 C ATOM 1830 C ILE B 43 1.710 14.548 1.143 1.00 0.00 C ATOM 1831 O ILE B 43 1.513 14.013 0.047 1.00 0.00 O ATOM 1832 CB ILE B 43 3.231 16.435 0.568 1.00 0.00 C ATOM 1833 CG1 ILE B 43 4.654 16.993 0.655 1.00 0.00 C ATOM 1834 CG2 ILE B 43 2.230 17.509 0.968 1.00 0.00 C ATOM 1835 CD1 ILE B 43 5.623 16.357 -0.321 1.00 0.00 C ATOM 0 H ILE B 43 4.115 13.752 0.353 1.00 0.00 H new ATOM 0 HA ILE B 43 3.108 15.497 2.499 1.00 0.00 H new ATOM 0 HB ILE B 43 3.048 16.135 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE B 43 4.624 18.068 0.474 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.028 16.851 1.669 1.00 0.00 H new ATOM 0 HG21 ILE B 43 2.365 18.386 0.335 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.217 17.126 0.846 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.390 17.786 2.010 1.00 0.00 H new ATOM 0 HD11 ILE B 43 6.609 16.805 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE B 43 5.684 15.286 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.274 16.522 -1.340 1.00 0.00 H new ATOM 1847 N LEU B 44 0.805 14.571 2.110 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.562 14.138 1.874 1.00 0.00 C ATOM 1849 C LEU B 44 -1.174 14.965 0.739 1.00 0.00 C ATOM 1850 O LEU B 44 -0.937 16.173 0.647 1.00 0.00 O ATOM 1851 CB LEU B 44 -1.392 14.297 3.151 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.736 13.566 3.155 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.524 12.059 3.204 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -3.589 14.032 4.326 1.00 0.00 C ATOM 0 H LEU B 44 0.993 14.884 3.062 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.561 13.086 1.589 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.801 13.941 3.995 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -1.575 15.359 3.316 1.00 0.00 H new ATOM 0 HG LEU B 44 -3.264 13.804 2.232 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.491 11.555 3.206 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.952 11.743 2.331 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -1.977 11.798 4.110 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.542 13.503 4.315 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.069 13.823 5.261 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.768 15.104 4.242 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.966 14.320 -0.115 1.00 0.00 N ATOM 1867 CA ARG B 45 -2.559 14.979 -1.288 1.00 0.00 C ATOM 1868 C ARG B 45 -3.467 16.144 -0.899 1.00 0.00 C ATOM 1869 O ARG B 45 -3.856 16.944 -1.748 1.00 0.00 O ATOM 1870 CB ARG B 45 -3.331 13.959 -2.128 1.00 0.00 C ATOM 1871 CG ARG B 45 -2.430 13.071 -2.969 1.00 0.00 C ATOM 1872 CD ARG B 45 -1.972 13.764 -4.242 1.00 0.00 C ATOM 1873 NE ARG B 45 -3.027 13.838 -5.254 1.00 0.00 N ATOM 1874 CZ ARG B 45 -3.178 12.937 -6.230 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -2.400 11.857 -6.268 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -4.123 13.102 -7.153 1.00 0.00 N ATOM 0 H ARG B 45 -2.216 13.336 -0.020 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.742 15.392 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.932 13.334 -1.467 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -4.023 14.487 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.559 12.779 -2.382 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.962 12.155 -3.227 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -1.634 14.772 -4.001 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.116 13.230 -4.654 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.682 14.619 -5.212 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -1.688 11.716 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -2.517 11.170 -7.013 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.734 13.918 -7.117 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -4.236 12.413 -7.896 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.787 16.238 0.383 1.00 0.00 N ATOM 1891 CA GLU B 46 -4.603 17.331 0.897 1.00 0.00 C ATOM 1892 C GLU B 46 -3.843 18.660 0.815 1.00 0.00 C ATOM 1893 O GLU B 46 -4.372 19.660 0.333 1.00 0.00 O ATOM 1894 CB GLU B 46 -5.006 17.034 2.345 1.00 0.00 C ATOM 1895 CG GLU B 46 -5.771 18.159 3.034 1.00 0.00 C ATOM 1896 CD GLU B 46 -7.054 18.537 2.322 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -7.860 17.643 2.014 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -7.261 19.743 2.067 1.00 0.00 O ATOM 0 H GLU B 46 -3.492 15.566 1.092 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.501 17.418 0.286 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.619 16.133 2.360 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -4.107 16.817 2.922 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -6.006 17.857 4.055 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.129 19.037 3.101 1.00 0.00 H new ATOM 1905 N ASN B 47 -2.589 18.654 1.260 1.00 0.00 N ATOM 1906 CA ASN B 47 -1.803 19.886 1.360 1.00 0.00 C ATOM 1907 C ASN B 47 -0.797 19.988 0.213 1.00 0.00 C ATOM 1908 O ASN B 47 -0.110 21.000 0.061 1.00 0.00 O ATOM 1909 CB ASN B 47 -1.065 19.926 2.705 1.00 0.00 C ATOM 1910 CG ASN B 47 -0.512 21.301 3.038 1.00 0.00 C ATOM 1911 OD1 ASN B 47 0.593 21.658 2.632 1.00 0.00 O ATOM 1912 ND2 ASN B 47 -1.271 22.077 3.792 1.00 0.00 N ATOM 0 H ASN B 47 -2.094 17.813 1.557 1.00 0.00 H new ATOM 0 HA ASN B 47 -2.485 20.734 1.294 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -1.746 19.613 3.496 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -0.247 19.206 2.686 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -0.946 23.007 4.056 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.182 21.746 4.110 1.00 0.00 H new ATOM 1919 N LEU B 48 -0.751 18.943 -0.609 1.00 0.00 N ATOM 1920 CA LEU B 48 0.250 18.813 -1.675 1.00 0.00 C ATOM 1921 C LEU B 48 0.387 20.085 -2.513 1.00 0.00 C ATOM 1922 O LEU B 48 1.499 20.495 -2.848 1.00 0.00 O ATOM 1923 CB LEU B 48 -0.110 17.644 -2.592 1.00 0.00 C ATOM 1924 CG LEU B 48 0.909 17.358 -3.691 1.00 0.00 C ATOM 1925 CD1 LEU B 48 2.190 16.798 -3.094 1.00 0.00 C ATOM 1926 CD2 LEU B 48 0.328 16.404 -4.719 1.00 0.00 C ATOM 0 H LEU B 48 -1.404 18.161 -0.559 1.00 0.00 H new ATOM 0 HA LEU B 48 1.208 18.633 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -0.230 16.747 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.076 17.847 -3.055 1.00 0.00 H new ATOM 0 HG LEU B 48 1.149 18.294 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU B 48 2.906 16.599 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU B 48 2.613 17.522 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.970 15.871 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.068 16.211 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.058 15.466 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.560 16.849 -5.167 1.00 0.00 H new ATOM 1938 N GLU B 49 -0.748 20.699 -2.835 1.00 0.00 N ATOM 1939 CA GLU B 49 -0.776 21.898 -3.669 1.00 0.00 C ATOM 1940 C GLU B 49 0.135 22.998 -3.115 1.00 0.00 C ATOM 1941 O GLU B 49 0.898 23.614 -3.859 1.00 0.00 O ATOM 1942 CB GLU B 49 -2.213 22.417 -3.791 1.00 0.00 C ATOM 1943 CG GLU B 49 -3.147 21.462 -4.520 1.00 0.00 C ATOM 1944 CD GLU B 49 -4.572 21.977 -4.600 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -4.799 23.016 -5.254 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -5.473 21.336 -4.020 1.00 0.00 O ATOM 0 H GLU B 49 -1.668 20.383 -2.528 1.00 0.00 H new ATOM 0 HA GLU B 49 -0.402 21.625 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.608 22.606 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.202 23.372 -4.316 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.770 21.292 -5.529 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -3.142 20.498 -4.011 1.00 0.00 H new ATOM 1953 N ARG B 50 0.076 23.223 -1.808 1.00 0.00 N ATOM 1954 CA ARG B 50 0.829 24.309 -1.191 1.00 0.00 C ATOM 1955 C ARG B 50 2.311 23.978 -1.097 1.00 0.00 C ATOM 1956 O ARG B 50 3.157 24.828 -1.372 1.00 0.00 O ATOM 1957 CB ARG B 50 0.269 24.645 0.192 1.00 0.00 C ATOM 1958 CG ARG B 50 -0.749 25.777 0.173 1.00 0.00 C ATOM 1959 CD ARG B 50 -1.909 25.482 -0.765 1.00 0.00 C ATOM 1960 NE ARG B 50 -2.817 26.620 -0.892 1.00 0.00 N ATOM 1961 CZ ARG B 50 -3.918 26.614 -1.646 1.00 0.00 C ATOM 1962 NH1 ARG B 50 -4.229 25.535 -2.357 1.00 0.00 N ATOM 1963 NH2 ARG B 50 -4.704 27.684 -1.688 1.00 0.00 N ATOM 0 H ARG B 50 -0.483 22.671 -1.157 1.00 0.00 H new ATOM 0 HA ARG B 50 0.721 25.184 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -0.197 23.754 0.613 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.092 24.917 0.853 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -1.130 25.939 1.181 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -0.259 26.701 -0.135 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -1.521 25.217 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -2.461 24.617 -0.397 1.00 0.00 H new ATOM 0 HE ARG B 50 -2.596 27.470 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -3.626 24.713 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -5.070 25.529 -2.934 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -4.467 28.513 -1.143 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -5.545 27.677 -2.265 1.00 0.00 H new ATOM 1977 N TYR B 51 2.627 22.739 -0.739 1.00 0.00 N ATOM 1978 CA TYR B 51 4.018 22.336 -0.581 1.00 0.00 C ATOM 1979 C TYR B 51 4.745 22.392 -1.922 1.00 0.00 C ATOM 1980 O TYR B 51 5.857 22.911 -2.011 1.00 0.00 O ATOM 1981 CB TYR B 51 4.121 20.931 0.018 1.00 0.00 C ATOM 1982 CG TYR B 51 5.528 20.569 0.454 1.00 0.00 C ATOM 1983 CD1 TYR B 51 6.422 19.970 -0.426 1.00 0.00 C ATOM 1984 CD2 TYR B 51 5.962 20.840 1.745 1.00 0.00 C ATOM 1985 CE1 TYR B 51 7.708 19.655 -0.030 1.00 0.00 C ATOM 1986 CE2 TYR B 51 7.245 20.526 2.148 1.00 0.00 C ATOM 1987 CZ TYR B 51 8.114 19.936 1.255 1.00 0.00 C ATOM 1988 OH TYR B 51 9.395 19.631 1.649 1.00 0.00 O ATOM 0 H TYR B 51 1.946 22.003 -0.554 1.00 0.00 H new ATOM 0 HA TYR B 51 4.493 23.035 0.107 1.00 0.00 H new ATOM 0 HB2 TYR B 51 3.452 20.859 0.875 1.00 0.00 H new ATOM 0 HB3 TYR B 51 3.777 20.203 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR B 51 6.107 19.747 -1.435 1.00 0.00 H new ATOM 0 HD2 TYR B 51 5.284 21.304 2.446 1.00 0.00 H new ATOM 0 HE1 TYR B 51 8.391 19.191 -0.725 1.00 0.00 H new ATOM 0 HE2 TYR B 51 7.566 20.741 3.157 1.00 0.00 H new ATOM 0 HH TYR B 51 9.521 19.894 2.585 1.00 0.00 H new ATOM 1998 N LEU B 52 4.112 21.873 -2.969 1.00 0.00 N ATOM 1999 CA LEU B 52 4.715 21.886 -4.299 1.00 0.00 C ATOM 2000 C LEU B 52 4.772 23.299 -4.864 1.00 0.00 C ATOM 2001 O LEU B 52 5.605 23.606 -5.713 1.00 0.00 O ATOM 2002 CB LEU B 52 3.959 20.963 -5.256 1.00 0.00 C ATOM 2003 CG LEU B 52 4.150 19.470 -4.987 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.462 18.645 -6.063 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.633 19.133 -4.912 1.00 0.00 C ATOM 0 H LEU B 52 3.189 21.441 -2.925 1.00 0.00 H new ATOM 0 HA LEU B 52 5.735 21.516 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU B 52 2.896 21.195 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.279 21.179 -6.276 1.00 0.00 H new ATOM 0 HG LEU B 52 3.694 19.226 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU B 52 3.607 17.585 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.396 18.871 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU B 52 3.889 18.887 -7.036 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.755 18.067 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.112 19.389 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.095 19.702 -4.105 1.00 0.00 H new ATOM 2017 N ARG B 53 3.883 24.155 -4.389 1.00 0.00 N ATOM 2018 CA ARG B 53 3.895 25.556 -4.774 1.00 0.00 C ATOM 2019 C ARG B 53 5.129 26.257 -4.209 1.00 0.00 C ATOM 2020 O ARG B 53 5.802 27.019 -4.904 1.00 0.00 O ATOM 2021 CB ARG B 53 2.629 26.244 -4.259 1.00 0.00 C ATOM 2022 CG ARG B 53 2.561 27.726 -4.580 1.00 0.00 C ATOM 2023 CD ARG B 53 1.385 28.392 -3.883 1.00 0.00 C ATOM 2024 NE ARG B 53 1.507 28.356 -2.421 1.00 0.00 N ATOM 2025 CZ ARG B 53 0.840 29.164 -1.596 1.00 0.00 C ATOM 2026 NH1 ARG B 53 -0.033 30.041 -2.077 1.00 0.00 N ATOM 2027 NH2 ARG B 53 1.051 29.095 -0.286 1.00 0.00 N ATOM 0 H ARG B 53 3.142 23.903 -3.735 1.00 0.00 H new ATOM 0 HA ARG B 53 3.926 25.618 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG B 53 1.758 25.749 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG B 53 2.570 26.113 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG B 53 3.489 28.209 -4.273 1.00 0.00 H new ATOM 0 HG3 ARG B 53 2.472 27.863 -5.658 1.00 0.00 H new ATOM 0 HD2 ARG B 53 1.310 29.428 -4.213 1.00 0.00 H new ATOM 0 HD3 ARG B 53 0.461 27.895 -4.180 1.00 0.00 H new ATOM 0 HE ARG B 53 2.141 27.671 -2.010 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -0.196 30.099 -3.082 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -0.540 30.657 -1.441 1.00 0.00 H new ATOM 0 HH21 ARG B 53 1.723 28.424 0.088 1.00 0.00 H new ATOM 0 HH22 ARG B 53 0.541 29.713 0.346 1.00 0.00 H new ATOM 2041 N GLU B 54 5.424 25.984 -2.946 1.00 0.00 N ATOM 2042 CA GLU B 54 6.462 26.710 -2.233 1.00 0.00 C ATOM 2043 C GLU B 54 7.828 26.020 -2.285 1.00 0.00 C ATOM 2044 O GLU B 54 8.857 26.698 -2.260 1.00 0.00 O ATOM 2045 CB GLU B 54 6.010 26.943 -0.794 1.00 0.00 C ATOM 2046 CG GLU B 54 4.797 27.859 -0.718 1.00 0.00 C ATOM 2047 CD GLU B 54 4.149 27.895 0.649 1.00 0.00 C ATOM 2048 OE1 GLU B 54 4.821 28.297 1.620 1.00 0.00 O ATOM 2049 OE2 GLU B 54 2.955 27.540 0.751 1.00 0.00 O ATOM 0 H GLU B 54 4.958 25.264 -2.394 1.00 0.00 H new ATOM 0 HA GLU B 54 6.604 27.667 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU B 54 5.771 25.986 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU B 54 6.830 27.379 -0.223 1.00 0.00 H new ATOM 0 HG2 GLU B 54 5.097 28.869 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.060 27.533 -1.452 1.00 0.00 H new ATOM 2056 N GLN B 55 7.857 24.692 -2.367 1.00 0.00 N ATOM 2057 CA GLN B 55 9.129 23.986 -2.422 1.00 0.00 C ATOM 2058 C GLN B 55 9.480 23.607 -3.853 1.00 0.00 C ATOM 2059 O GLN B 55 10.411 24.178 -4.431 1.00 0.00 O ATOM 2060 CB GLN B 55 9.070 22.719 -1.556 1.00 0.00 C ATOM 2061 CG GLN B 55 10.330 21.861 -1.612 1.00 0.00 C ATOM 2062 CD GLN B 55 11.505 22.485 -0.887 1.00 0.00 C ATOM 2063 OE1 GLN B 55 12.293 23.228 -1.474 1.00 0.00 O ATOM 2064 NE2 GLN B 55 11.631 22.177 0.395 1.00 0.00 N ATOM 0 H GLN B 55 7.030 24.095 -2.396 1.00 0.00 H new ATOM 0 HA GLN B 55 9.901 24.653 -2.038 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.887 23.009 -0.521 1.00 0.00 H new ATOM 0 HB3 GLN B 55 8.219 22.116 -1.873 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.118 20.885 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN B 55 10.602 21.692 -2.654 1.00 0.00 H new ATOM 0 HE21 GLN B 55 10.954 21.557 0.840 1.00 0.00 H new ATOM 0 HE22 GLN B 55 12.405 22.560 0.938 1.00 0.00 H new ATOM 2073 N LEU B 56 8.696 22.685 -4.434 1.00 0.00 N ATOM 2074 CA LEU B 56 8.962 22.151 -5.777 1.00 0.00 C ATOM 2075 C LEU B 56 10.458 21.862 -5.928 1.00 0.00 C ATOM 2076 O LEU B 56 11.052 22.077 -6.990 1.00 0.00 O ATOM 2077 CB LEU B 56 8.503 23.159 -6.838 1.00 0.00 C ATOM 2078 CG LEU B 56 7.738 22.575 -8.033 1.00 0.00 C ATOM 2079 CD1 LEU B 56 7.225 23.694 -8.924 1.00 0.00 C ATOM 2080 CD2 LEU B 56 8.608 21.621 -8.840 1.00 0.00 C ATOM 0 H LEU B 56 7.866 22.292 -3.989 1.00 0.00 H new ATOM 0 HA LEU B 56 8.408 21.223 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.869 23.903 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU B 56 9.380 23.685 -7.215 1.00 0.00 H new ATOM 0 HG LEU B 56 6.892 22.009 -7.643 1.00 0.00 H new ATOM 0 HD11 LEU B 56 6.684 23.268 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.556 24.337 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU B 56 8.067 24.281 -9.292 1.00 0.00 H new ATOM 0 HD21 LEU B 56 8.034 21.226 -9.678 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.481 22.155 -9.217 1.00 0.00 H new ATOM 0 HD23 LEU B 56 8.933 20.798 -8.203 1.00 0.00 H new ATOM 2092 N GLY B 57 11.062 21.372 -4.854 1.00 0.00 N ATOM 2093 CA GLY B 57 12.506 21.349 -4.778 1.00 0.00 C ATOM 2094 C GLY B 57 13.114 19.971 -4.701 1.00 0.00 C ATOM 2095 O GLY B 57 14.337 19.859 -4.615 1.00 0.00 O ATOM 0 H GLY B 57 10.580 20.992 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY B 57 12.910 21.861 -5.652 1.00 0.00 H new ATOM 0 HA3 GLY B 57 12.819 21.918 -3.903 1.00 0.00 H new ATOM 2099 N PHE B 58 12.288 18.925 -4.731 1.00 0.00 N ATOM 2100 CA PHE B 58 12.802 17.555 -4.720 1.00 0.00 C ATOM 2101 C PHE B 58 13.683 17.354 -3.488 1.00 0.00 C ATOM 2102 O PHE B 58 13.478 17.989 -2.449 1.00 0.00 O ATOM 2103 CB PHE B 58 13.648 17.280 -5.982 1.00 0.00 C ATOM 2104 CG PHE B 58 12.980 17.577 -7.301 1.00 0.00 C ATOM 2105 CD1 PHE B 58 12.659 18.879 -7.667 1.00 0.00 C ATOM 2106 CD2 PHE B 58 12.702 16.554 -8.189 1.00 0.00 C ATOM 2107 CE1 PHE B 58 12.071 19.146 -8.887 1.00 0.00 C ATOM 2108 CE2 PHE B 58 12.119 16.816 -9.413 1.00 0.00 C ATOM 2109 CZ PHE B 58 11.803 18.112 -9.762 1.00 0.00 C ATOM 0 H PHE B 58 11.271 18.998 -4.763 1.00 0.00 H new ATOM 0 HA PHE B 58 11.955 16.869 -4.700 1.00 0.00 H new ATOM 0 HB2 PHE B 58 14.562 17.870 -5.919 1.00 0.00 H new ATOM 0 HB3 PHE B 58 13.945 16.231 -5.975 1.00 0.00 H new ATOM 0 HD1 PHE B 58 12.872 19.692 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE B 58 12.944 15.536 -7.921 1.00 0.00 H new ATOM 0 HE1 PHE B 58 11.821 20.162 -9.157 1.00 0.00 H new ATOM 0 HE2 PHE B 58 11.911 16.006 -10.097 1.00 0.00 H new ATOM 0 HZ PHE B 58 11.346 18.318 -10.719 1.00 0.00 H new ATOM 2119 N GLU B 59 14.658 16.467 -3.601 1.00 0.00 N ATOM 2120 CA GLU B 59 15.746 16.429 -2.646 1.00 0.00 C ATOM 2121 C GLU B 59 17.043 16.784 -3.349 1.00 0.00 C ATOM 2122 O GLU B 59 17.633 15.955 -4.047 1.00 0.00 O ATOM 2123 CB GLU B 59 15.863 15.052 -1.982 1.00 0.00 C ATOM 2124 CG GLU B 59 14.948 14.868 -0.782 1.00 0.00 C ATOM 2125 CD GLU B 59 15.383 15.688 0.419 1.00 0.00 C ATOM 2126 OE1 GLU B 59 15.520 16.925 0.292 1.00 0.00 O ATOM 2127 OE2 GLU B 59 15.605 15.101 1.498 1.00 0.00 O ATOM 0 H GLU B 59 14.716 15.768 -4.342 1.00 0.00 H new ATOM 0 HA GLU B 59 15.541 17.156 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU B 59 15.637 14.283 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU B 59 16.895 14.898 -1.667 1.00 0.00 H new ATOM 0 HG2 GLU B 59 13.932 15.148 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU B 59 14.924 13.814 -0.507 1.00 0.00 H new ATOM 2134 N PHE B 60 17.480 18.021 -3.160 1.00 0.00 N ATOM 2135 CA PHE B 60 18.749 18.473 -3.704 1.00 0.00 C ATOM 2136 C PHE B 60 19.841 18.169 -2.704 1.00 0.00 C ATOM 2137 O PHE B 60 20.051 18.918 -1.751 1.00 0.00 O ATOM 2138 CB PHE B 60 18.731 19.977 -4.013 1.00 0.00 C ATOM 2139 CG PHE B 60 17.832 20.376 -5.151 1.00 0.00 C ATOM 2140 CD1 PHE B 60 17.831 19.662 -6.339 1.00 0.00 C ATOM 2141 CD2 PHE B 60 17.004 21.482 -5.038 1.00 0.00 C ATOM 2142 CE1 PHE B 60 17.019 20.040 -7.391 1.00 0.00 C ATOM 2143 CE2 PHE B 60 16.187 21.864 -6.087 1.00 0.00 C ATOM 2144 CZ PHE B 60 16.196 21.142 -7.265 1.00 0.00 C ATOM 0 H PHE B 60 16.971 18.730 -2.632 1.00 0.00 H new ATOM 0 HA PHE B 60 18.932 17.948 -4.642 1.00 0.00 H new ATOM 0 HB2 PHE B 60 18.420 20.514 -3.117 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.747 20.299 -4.241 1.00 0.00 H new ATOM 0 HD1 PHE B 60 18.473 18.800 -6.444 1.00 0.00 H new ATOM 0 HD2 PHE B 60 16.997 22.052 -4.121 1.00 0.00 H new ATOM 0 HE1 PHE B 60 17.028 19.474 -8.311 1.00 0.00 H new ATOM 0 HE2 PHE B 60 15.543 22.725 -5.985 1.00 0.00 H new ATOM 0 HZ PHE B 60 15.560 21.439 -8.086 1.00 0.00 H new ATOM 2154 N LYS B 61 20.517 17.056 -2.895 1.00 0.00 N ATOM 2155 CA LYS B 61 21.491 16.618 -1.915 1.00 0.00 C ATOM 2156 C LYS B 61 22.905 16.833 -2.418 1.00 0.00 C ATOM 2157 O LYS B 61 23.519 15.946 -3.009 1.00 0.00 O ATOM 2158 CB LYS B 61 21.251 15.163 -1.523 1.00 0.00 C ATOM 2159 CG LYS B 61 19.905 14.950 -0.843 1.00 0.00 C ATOM 2160 CD LYS B 61 19.764 13.547 -0.287 1.00 0.00 C ATOM 2161 CE LYS B 61 18.485 13.396 0.521 1.00 0.00 C ATOM 2162 NZ LYS B 61 18.411 14.364 1.652 1.00 0.00 N ATOM 0 H LYS B 61 20.414 16.446 -3.706 1.00 0.00 H new ATOM 0 HA LYS B 61 21.368 17.226 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS B 61 21.306 14.538 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.047 14.836 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS B 61 19.789 15.673 -0.036 1.00 0.00 H new ATOM 0 HG3 LYS B 61 19.104 15.139 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS B 61 19.766 12.828 -1.106 1.00 0.00 H new ATOM 0 HD3 LYS B 61 20.623 13.315 0.342 1.00 0.00 H new ATOM 0 HE2 LYS B 61 17.626 13.540 -0.134 1.00 0.00 H new ATOM 0 HE3 LYS B 61 18.422 12.380 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 18.175 13.856 2.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 19.330 14.839 1.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 17.677 15.073 1.454 1.00 0.00 H new ATOM 2176 N ASN B 62 23.406 18.039 -2.189 1.00 0.00 N ATOM 2177 CA ASN B 62 24.746 18.406 -2.616 1.00 0.00 C ATOM 2178 C ASN B 62 25.797 17.634 -1.827 1.00 0.00 C ATOM 2179 O ASN B 62 25.490 16.999 -0.814 1.00 0.00 O ATOM 2180 CB ASN B 62 24.975 19.911 -2.459 1.00 0.00 C ATOM 2181 CG ASN B 62 24.049 20.741 -3.328 1.00 0.00 C ATOM 2182 OD1 ASN B 62 22.987 21.178 -2.887 1.00 0.00 O ATOM 2183 ND2 ASN B 62 24.435 20.954 -4.575 1.00 0.00 N ATOM 0 H ASN B 62 22.900 18.782 -1.707 1.00 0.00 H new ATOM 0 HA ASN B 62 24.841 18.147 -3.670 1.00 0.00 H new ATOM 0 HB2 ASN B 62 24.831 20.189 -1.415 1.00 0.00 H new ATOM 0 HB3 ASN B 62 26.009 20.145 -2.712 1.00 0.00 H new ATOM 0 HD21 ASN B 62 23.845 21.496 -5.206 1.00 0.00 H new ATOM 0 HD22 ASN B 62 25.323 20.576 -4.906 1.00 0.00 H new ATOM 2190 N ALA B 63 27.041 17.726 -2.277 1.00 0.00 N ATOM 2191 CA ALA B 63 28.137 16.933 -1.721 1.00 0.00 C ATOM 2192 C ALA B 63 28.640 17.467 -0.381 1.00 0.00 C ATOM 2193 O ALA B 63 29.705 17.063 0.085 1.00 0.00 O ATOM 2194 CB ALA B 63 29.281 16.893 -2.712 1.00 0.00 C ATOM 0 H ALA B 63 27.322 18.349 -3.035 1.00 0.00 H new ATOM 0 HA ALA B 63 27.749 15.931 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA B 63 30.099 16.302 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA B 63 28.940 16.440 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA B 63 29.629 17.907 -2.908 1.00 0.00 H new ATOM 2200 N GLN B 64 27.877 18.375 0.227 1.00 0.00 N ATOM 2201 CA GLN B 64 28.238 18.973 1.518 1.00 0.00 C ATOM 2202 C GLN B 64 29.546 19.761 1.416 1.00 0.00 C ATOM 2203 O GLN B 64 30.153 20.115 2.427 1.00 0.00 O ATOM 2204 CB GLN B 64 28.362 17.891 2.597 1.00 0.00 C ATOM 2205 CG GLN B 64 27.098 17.070 2.785 1.00 0.00 C ATOM 2206 CD GLN B 64 27.280 15.939 3.778 1.00 0.00 C ATOM 2207 OE1 GLN B 64 27.044 16.105 4.973 1.00 0.00 O ATOM 2208 NE2 GLN B 64 27.712 14.787 3.293 1.00 0.00 N ATOM 0 H GLN B 64 26.996 18.717 -0.156 1.00 0.00 H new ATOM 0 HA GLN B 64 27.442 19.663 1.798 1.00 0.00 H new ATOM 0 HB2 GLN B 64 29.183 17.223 2.337 1.00 0.00 H new ATOM 0 HB3 GLN B 64 28.623 18.363 3.544 1.00 0.00 H new ATOM 0 HG2 GLN B 64 26.293 17.722 3.125 1.00 0.00 H new ATOM 0 HG3 GLN B 64 26.790 16.659 1.824 1.00 0.00 H new ATOM 0 HE21 GLN B 64 27.896 14.691 2.294 1.00 0.00 H new ATOM 0 HE22 GLN B 64 27.861 13.995 3.918 1.00 0.00 H new ATOM 2217 N LEU B 65 29.966 20.042 0.188 1.00 0.00 N ATOM 2218 CA LEU B 65 31.192 20.788 -0.048 1.00 0.00 C ATOM 2219 C LEU B 65 30.971 22.262 0.240 1.00 0.00 C ATOM 2220 O LEU B 65 29.962 22.832 -0.169 1.00 0.00 O ATOM 2221 CB LEU B 65 31.664 20.607 -1.494 1.00 0.00 C ATOM 2222 CG LEU B 65 31.978 19.165 -1.903 1.00 0.00 C ATOM 2223 CD1 LEU B 65 32.386 19.101 -3.368 1.00 0.00 C ATOM 2224 CD2 LEU B 65 33.073 18.582 -1.021 1.00 0.00 C ATOM 0 H LEU B 65 29.473 19.763 -0.660 1.00 0.00 H new ATOM 0 HA LEU B 65 31.961 20.404 0.621 1.00 0.00 H new ATOM 0 HB2 LEU B 65 30.896 20.998 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU B 65 32.557 21.213 -1.646 1.00 0.00 H new ATOM 0 HG LEU B 65 31.075 18.569 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU B 65 32.605 18.068 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU B 65 31.572 19.475 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU B 65 33.274 19.714 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU B 65 33.281 17.557 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU B 65 33.978 19.181 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU B 65 32.745 18.590 0.019 1.00 0.00 H new