USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=10 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 21 GLN : amide:sc= -0.905 X(o=-0.91,f=-0.75) USER MOD Set 1.2: B 35 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 47 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.59) USER MOD Set 3.1: A 21 GLN : amide:sc= 0.453 K(o=1.3,f=0.41) USER MOD Set 3.2: A 35 TYR OH : rot 180:sc= 0.862 USER MOD Single : A 30 THR OG1 : rot -56:sc= 1.13 USER MOD Single : A 51 TYR OH : rot -142:sc= 1.18 USER MOD Single : A 55 GLN : amide:sc= 1.03 K(o=1,f=-0.23) USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0.435 (180deg=0.254) USER MOD Single : A 62 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.59) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -72:sc= 1.2 USER MOD Single : B 47 ASN : amide:sc= -1.58! X(o=-1.6!,f=-1.4) USER MOD Single : B 51 TYR OH : rot -171:sc= 1.27 USER MOD Single : B 55 GLN : amide:sc= -0.529 K(o=-0.53,f=-5!) USER MOD Single : B 61 LYS NZ :NH3+ -114:sc= 0.884 (180deg=0.237) USER MOD Single : B 62 ASN : amide:sc= 1.11 K(o=1.1,f=-0.077) USER MOD Single : B 64 GLN : amide:sc= -0.0735 X(o=-0.074,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 29.201 4.910 4.398 1.00 0.00 N ATOM 298 CA ASP A 19 27.839 5.137 3.930 1.00 0.00 C ATOM 299 C ASP A 19 27.845 5.406 2.432 1.00 0.00 C ATOM 300 O ASP A 19 28.121 6.519 1.987 1.00 0.00 O ATOM 301 CB ASP A 19 27.188 6.306 4.676 1.00 0.00 C ATOM 302 CG ASP A 19 25.694 6.396 4.426 1.00 0.00 C ATOM 303 OD1 ASP A 19 24.944 5.578 5.004 1.00 0.00 O ATOM 304 OD2 ASP A 19 25.256 7.286 3.662 1.00 0.00 O ATOM 0 HA ASP A 19 27.252 4.241 4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 19 27.368 6.196 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 19 27.661 7.238 4.368 1.00 0.00 H new ATOM 309 N VAL A 20 27.576 4.363 1.661 1.00 0.00 N ATOM 310 CA VAL A 20 27.629 4.451 0.211 1.00 0.00 C ATOM 311 C VAL A 20 26.247 4.227 -0.396 1.00 0.00 C ATOM 312 O VAL A 20 25.539 3.287 -0.029 1.00 0.00 O ATOM 313 CB VAL A 20 28.627 3.427 -0.375 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.778 3.612 -1.879 1.00 0.00 C ATOM 315 CG2 VAL A 20 29.979 3.537 0.322 1.00 0.00 C ATOM 0 H VAL A 20 27.318 3.443 2.018 1.00 0.00 H new ATOM 0 HA VAL A 20 27.971 5.454 -0.043 1.00 0.00 H new ATOM 0 HB VAL A 20 28.230 2.427 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 20 29.486 2.879 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.811 3.473 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 20 29.146 4.617 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 20 30.668 2.808 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 20 30.380 4.541 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 20 29.856 3.341 1.387 1.00 0.00 H new ATOM 325 N GLN A 21 25.875 5.097 -1.319 1.00 0.00 N ATOM 326 CA GLN A 21 24.577 5.034 -1.980 1.00 0.00 C ATOM 327 C GLN A 21 24.776 4.953 -3.489 1.00 0.00 C ATOM 328 O GLN A 21 25.895 5.100 -3.976 1.00 0.00 O ATOM 329 CB GLN A 21 23.753 6.271 -1.603 1.00 0.00 C ATOM 330 CG GLN A 21 24.554 7.554 -1.704 1.00 0.00 C ATOM 331 CD GLN A 21 23.857 8.738 -1.075 1.00 0.00 C ATOM 332 OE1 GLN A 21 23.092 8.594 -0.120 1.00 0.00 O ATOM 333 NE2 GLN A 21 24.131 9.915 -1.602 1.00 0.00 N ATOM 0 H GLN A 21 26.463 5.869 -1.634 1.00 0.00 H new ATOM 0 HA GLN A 21 24.037 4.144 -1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.883 6.337 -2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.380 6.159 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 21 25.521 7.411 -1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.751 7.771 -2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 21 24.771 9.983 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.703 10.758 -1.219 1.00 0.00 H new ATOM 342 N ILE A 22 23.705 4.709 -4.232 1.00 0.00 N ATOM 343 CA ILE A 22 23.806 4.605 -5.682 1.00 0.00 C ATOM 344 C ILE A 22 22.629 5.312 -6.356 1.00 0.00 C ATOM 345 O ILE A 22 21.571 5.479 -5.749 1.00 0.00 O ATOM 346 CB ILE A 22 23.861 3.130 -6.155 1.00 0.00 C ATOM 347 CG1 ILE A 22 24.975 2.358 -5.444 1.00 0.00 C ATOM 348 CG2 ILE A 22 24.085 3.062 -7.654 1.00 0.00 C ATOM 349 CD1 ILE A 22 25.166 0.958 -5.983 1.00 0.00 C ATOM 0 H ILE A 22 22.764 4.580 -3.859 1.00 0.00 H new ATOM 0 HA ILE A 22 24.738 5.090 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 22 22.904 2.672 -5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.910 2.909 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.748 2.303 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 22 24.121 2.019 -7.970 1.00 0.00 H new ATOM 0 HG22 ILE A 22 23.268 3.568 -8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.027 3.549 -7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.970 0.464 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.243 0.392 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 22 25.423 1.007 -7.041 1.00 0.00 H new ATOM 361 N ASP A 23 22.834 5.738 -7.600 1.00 0.00 N ATOM 362 CA ASP A 23 21.810 6.422 -8.372 1.00 0.00 C ATOM 363 C ASP A 23 20.848 5.423 -9.021 1.00 0.00 C ATOM 364 O ASP A 23 20.858 4.232 -8.705 1.00 0.00 O ATOM 365 CB ASP A 23 22.474 7.266 -9.462 1.00 0.00 C ATOM 366 CG ASP A 23 23.020 6.414 -10.592 1.00 0.00 C ATOM 367 OD1 ASP A 23 23.983 5.651 -10.360 1.00 0.00 O ATOM 368 OD2 ASP A 23 22.471 6.499 -11.708 1.00 0.00 O ATOM 0 H ASP A 23 23.716 5.617 -8.098 1.00 0.00 H new ATOM 0 HA ASP A 23 21.240 7.060 -7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.750 7.976 -9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.284 7.849 -9.025 1.00 0.00 H new ATOM 373 N PHE A 24 20.040 5.924 -9.948 1.00 0.00 N ATOM 374 CA PHE A 24 19.018 5.133 -10.619 1.00 0.00 C ATOM 375 C PHE A 24 19.628 4.099 -11.570 1.00 0.00 C ATOM 376 O PHE A 24 19.096 2.999 -11.726 1.00 0.00 O ATOM 377 CB PHE A 24 18.076 6.071 -11.388 1.00 0.00 C ATOM 378 CG PHE A 24 16.949 5.370 -12.087 1.00 0.00 C ATOM 379 CD1 PHE A 24 15.866 4.892 -11.368 1.00 0.00 C ATOM 380 CD2 PHE A 24 16.973 5.188 -13.460 1.00 0.00 C ATOM 381 CE1 PHE A 24 14.826 4.247 -12.008 1.00 0.00 C ATOM 382 CE2 PHE A 24 15.937 4.544 -14.105 1.00 0.00 C ATOM 383 CZ PHE A 24 14.862 4.071 -13.377 1.00 0.00 C ATOM 0 H PHE A 24 20.076 6.896 -10.256 1.00 0.00 H new ATOM 0 HA PHE A 24 18.460 4.584 -9.861 1.00 0.00 H new ATOM 0 HB2 PHE A 24 17.660 6.801 -10.693 1.00 0.00 H new ATOM 0 HB3 PHE A 24 18.656 6.627 -12.124 1.00 0.00 H new ATOM 0 HD1 PHE A 24 15.835 5.025 -10.297 1.00 0.00 H new ATOM 0 HD2 PHE A 24 17.812 5.554 -14.032 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.985 3.880 -11.438 1.00 0.00 H new ATOM 0 HE2 PHE A 24 15.966 4.410 -15.176 1.00 0.00 H new ATOM 0 HZ PHE A 24 14.051 3.564 -13.878 1.00 0.00 H new ATOM 393 N TYR A 25 20.744 4.442 -12.198 1.00 0.00 N ATOM 394 CA TYR A 25 21.356 3.556 -13.181 1.00 0.00 C ATOM 395 C TYR A 25 22.206 2.480 -12.523 1.00 0.00 C ATOM 396 O TYR A 25 22.558 1.488 -13.161 1.00 0.00 O ATOM 397 CB TYR A 25 22.180 4.348 -14.195 1.00 0.00 C ATOM 398 CG TYR A 25 21.363 4.817 -15.377 1.00 0.00 C ATOM 399 CD1 TYR A 25 20.515 5.913 -15.278 1.00 0.00 C ATOM 400 CD2 TYR A 25 21.433 4.152 -16.594 1.00 0.00 C ATOM 401 CE1 TYR A 25 19.760 6.329 -16.357 1.00 0.00 C ATOM 402 CE2 TYR A 25 20.681 4.563 -17.678 1.00 0.00 C ATOM 403 CZ TYR A 25 19.848 5.653 -17.556 1.00 0.00 C ATOM 404 OH TYR A 25 19.098 6.066 -18.634 1.00 0.00 O ATOM 0 H TYR A 25 21.241 5.320 -12.047 1.00 0.00 H new ATOM 0 HA TYR A 25 20.545 3.056 -13.711 1.00 0.00 H new ATOM 0 HB2 TYR A 25 22.623 5.212 -13.700 1.00 0.00 H new ATOM 0 HB3 TYR A 25 23.003 3.728 -14.551 1.00 0.00 H new ATOM 0 HD1 TYR A 25 20.445 6.448 -14.343 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.087 3.298 -16.695 1.00 0.00 H new ATOM 0 HE1 TYR A 25 19.103 7.181 -16.262 1.00 0.00 H new ATOM 0 HE2 TYR A 25 20.746 4.032 -18.616 1.00 0.00 H new ATOM 0 HH TYR A 25 19.278 5.483 -19.401 1.00 0.00 H new ATOM 414 N GLY A 26 22.533 2.665 -11.256 1.00 0.00 N ATOM 415 CA GLY A 26 23.249 1.641 -10.539 1.00 0.00 C ATOM 416 C GLY A 26 24.746 1.727 -10.737 1.00 0.00 C ATOM 417 O GLY A 26 25.419 0.700 -10.825 1.00 0.00 O ATOM 0 H GLY A 26 22.316 3.502 -10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.022 1.722 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.899 0.662 -10.866 1.00 0.00 H new ATOM 421 N ASP A 27 25.274 2.942 -10.813 1.00 0.00 N ATOM 422 CA ASP A 27 26.715 3.124 -10.908 1.00 0.00 C ATOM 423 C ASP A 27 27.308 3.187 -9.509 1.00 0.00 C ATOM 424 O ASP A 27 27.725 2.164 -8.965 1.00 0.00 O ATOM 425 CB ASP A 27 27.068 4.390 -11.693 1.00 0.00 C ATOM 426 CG ASP A 27 28.542 4.453 -12.047 1.00 0.00 C ATOM 427 OD1 ASP A 27 29.350 4.890 -11.200 1.00 0.00 O ATOM 428 OD2 ASP A 27 28.900 4.056 -13.177 1.00 0.00 O ATOM 0 H ASP A 27 24.733 3.806 -10.811 1.00 0.00 H new ATOM 0 HA ASP A 27 27.137 2.276 -11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.475 4.426 -12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 27 26.800 5.267 -11.104 1.00 0.00 H new ATOM 433 N GLU A 28 27.309 4.384 -8.927 1.00 0.00 N ATOM 434 CA GLU A 28 27.711 4.589 -7.539 1.00 0.00 C ATOM 435 C GLU A 28 27.690 6.074 -7.214 1.00 0.00 C ATOM 436 O GLU A 28 28.137 6.900 -8.012 1.00 0.00 O ATOM 437 CB GLU A 28 29.105 4.018 -7.256 1.00 0.00 C ATOM 438 CG GLU A 28 29.413 3.892 -5.774 1.00 0.00 C ATOM 439 CD GLU A 28 30.684 3.115 -5.510 1.00 0.00 C ATOM 440 OE1 GLU A 28 30.623 1.866 -5.477 1.00 0.00 O ATOM 441 OE2 GLU A 28 31.752 3.740 -5.328 1.00 0.00 O ATOM 0 H GLU A 28 27.030 5.240 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 28 27.000 4.058 -6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.190 3.036 -7.722 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.854 4.658 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.503 4.887 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.579 3.399 -5.274 1.00 0.00 H new ATOM 448 N VAL A 29 27.160 6.414 -6.051 1.00 0.00 N ATOM 449 CA VAL A 29 27.084 7.800 -5.624 1.00 0.00 C ATOM 450 C VAL A 29 27.784 7.989 -4.289 1.00 0.00 C ATOM 451 O VAL A 29 27.341 7.476 -3.259 1.00 0.00 O ATOM 452 CB VAL A 29 25.625 8.286 -5.501 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.582 9.733 -5.037 1.00 0.00 C ATOM 454 CG2 VAL A 29 24.896 8.135 -6.824 1.00 0.00 C ATOM 0 H VAL A 29 26.775 5.746 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 29 27.583 8.394 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 29 25.122 7.668 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.545 10.058 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 29 26.066 9.818 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 29 26.104 10.362 -5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 29 23.869 8.483 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.401 8.727 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 29 24.894 7.086 -7.121 1.00 0.00 H new ATOM 464 N THR A 30 28.881 8.716 -4.312 1.00 0.00 N ATOM 465 CA THR A 30 29.595 9.047 -3.098 1.00 0.00 C ATOM 466 C THR A 30 29.329 10.505 -2.738 1.00 0.00 C ATOM 467 O THR A 30 28.870 11.274 -3.582 1.00 0.00 O ATOM 468 CB THR A 30 31.115 8.799 -3.255 1.00 0.00 C ATOM 469 OG1 THR A 30 31.651 9.587 -4.331 1.00 0.00 O ATOM 470 CG2 THR A 30 31.394 7.324 -3.517 1.00 0.00 C ATOM 0 H THR A 30 29.299 9.091 -5.164 1.00 0.00 H new ATOM 0 HA THR A 30 29.238 8.401 -2.296 1.00 0.00 H new ATOM 0 HB THR A 30 31.599 9.094 -2.324 1.00 0.00 H new ATOM 0 HG1 THR A 30 31.159 9.392 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 30 32.468 7.170 -3.624 1.00 0.00 H new ATOM 0 HG22 THR A 30 31.024 6.730 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 30 30.890 7.015 -4.433 1.00 0.00 H new ATOM 478 N PRO A 31 29.586 10.906 -1.482 1.00 0.00 N ATOM 479 CA PRO A 31 29.427 12.306 -1.037 1.00 0.00 C ATOM 480 C PRO A 31 30.355 13.286 -1.773 1.00 0.00 C ATOM 481 O PRO A 31 30.444 14.461 -1.415 1.00 0.00 O ATOM 482 CB PRO A 31 29.784 12.254 0.454 1.00 0.00 C ATOM 483 CG PRO A 31 29.631 10.824 0.842 1.00 0.00 C ATOM 484 CD PRO A 31 30.004 10.029 -0.378 1.00 0.00 C ATOM 0 HA PRO A 31 28.421 12.672 -1.242 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.802 12.602 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 31 29.124 12.894 1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 31 30.277 10.576 1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 31 28.608 10.610 1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.073 9.819 -0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.489 9.069 -0.408 1.00 0.00 H new ATOM 492 N VAL A 32 31.051 12.792 -2.789 1.00 0.00 N ATOM 493 CA VAL A 32 31.905 13.625 -3.622 1.00 0.00 C ATOM 494 C VAL A 32 31.220 13.893 -4.967 1.00 0.00 C ATOM 495 O VAL A 32 31.642 14.759 -5.736 1.00 0.00 O ATOM 496 CB VAL A 32 33.276 12.949 -3.862 1.00 0.00 C ATOM 497 CG1 VAL A 32 34.258 13.911 -4.517 1.00 0.00 C ATOM 498 CG2 VAL A 32 33.848 12.407 -2.558 1.00 0.00 C ATOM 0 H VAL A 32 31.039 11.808 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 32 32.072 14.568 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 32 33.119 12.113 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.212 13.407 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.860 14.239 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 32 34.406 14.776 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.812 11.936 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 32 33.979 13.226 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 32 33.162 11.671 -2.138 1.00 0.00 H new ATOM 508 N ASP A 33 30.150 13.154 -5.234 1.00 0.00 N ATOM 509 CA ASP A 33 29.428 13.273 -6.497 1.00 0.00 C ATOM 510 C ASP A 33 28.286 14.265 -6.369 1.00 0.00 C ATOM 511 O ASP A 33 27.726 14.445 -5.289 1.00 0.00 O ATOM 512 CB ASP A 33 28.860 11.918 -6.936 1.00 0.00 C ATOM 513 CG ASP A 33 29.929 10.880 -7.193 1.00 0.00 C ATOM 514 OD1 ASP A 33 30.587 10.944 -8.253 1.00 0.00 O ATOM 515 OD2 ASP A 33 30.110 9.985 -6.342 1.00 0.00 O ATOM 0 H ASP A 33 29.761 12.464 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 33 30.137 13.625 -7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 33 28.182 11.549 -6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.270 12.055 -7.842 1.00 0.00 H new ATOM 520 N ASP A 34 27.940 14.903 -7.476 1.00 0.00 N ATOM 521 CA ASP A 34 26.795 15.799 -7.503 1.00 0.00 C ATOM 522 C ASP A 34 25.588 15.067 -8.041 1.00 0.00 C ATOM 523 O ASP A 34 25.558 14.640 -9.199 1.00 0.00 O ATOM 524 CB ASP A 34 27.058 17.047 -8.346 1.00 0.00 C ATOM 525 CG ASP A 34 28.168 17.908 -7.775 1.00 0.00 C ATOM 526 OD1 ASP A 34 27.887 18.702 -6.849 1.00 0.00 O ATOM 527 OD2 ASP A 34 29.317 17.794 -8.251 1.00 0.00 O ATOM 0 H ASP A 34 28.434 14.818 -8.365 1.00 0.00 H new ATOM 0 HA ASP A 34 26.610 16.126 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.320 16.748 -9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 34 26.143 17.636 -8.413 1.00 0.00 H new ATOM 532 N TYR A 35 24.597 14.912 -7.197 1.00 0.00 N ATOM 533 CA TYR A 35 23.387 14.223 -7.572 1.00 0.00 C ATOM 534 C TYR A 35 22.185 14.990 -7.056 1.00 0.00 C ATOM 535 O TYR A 35 22.329 15.976 -6.338 1.00 0.00 O ATOM 536 CB TYR A 35 23.389 12.793 -7.017 1.00 0.00 C ATOM 537 CG TYR A 35 23.380 12.724 -5.505 1.00 0.00 C ATOM 538 CD1 TYR A 35 24.538 12.947 -4.772 1.00 0.00 C ATOM 539 CD2 TYR A 35 22.212 12.430 -4.814 1.00 0.00 C ATOM 540 CE1 TYR A 35 24.530 12.885 -3.394 1.00 0.00 C ATOM 541 CE2 TYR A 35 22.197 12.367 -3.437 1.00 0.00 C ATOM 542 CZ TYR A 35 23.358 12.594 -2.732 1.00 0.00 C ATOM 543 OH TYR A 35 23.344 12.532 -1.357 1.00 0.00 O ATOM 0 H TYR A 35 24.606 15.257 -6.237 1.00 0.00 H new ATOM 0 HA TYR A 35 23.333 14.165 -8.659 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.517 12.263 -7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.269 12.270 -7.390 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.459 13.172 -5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.301 12.248 -5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 35 25.438 13.064 -2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.280 12.141 -2.914 1.00 0.00 H new ATOM 0 HH TYR A 35 22.439 12.317 -1.048 1.00 0.00 H new ATOM 553 N VAL A 36 21.010 14.559 -7.445 1.00 0.00 N ATOM 554 CA VAL A 36 19.786 15.135 -6.931 1.00 0.00 C ATOM 555 C VAL A 36 18.812 14.021 -6.623 1.00 0.00 C ATOM 556 O VAL A 36 18.735 13.035 -7.360 1.00 0.00 O ATOM 557 CB VAL A 36 19.157 16.140 -7.927 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.771 16.584 -7.485 1.00 0.00 C ATOM 559 CG2 VAL A 36 20.053 17.353 -8.089 1.00 0.00 C ATOM 0 H VAL A 36 20.873 13.807 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 36 20.020 15.690 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 36 19.058 15.628 -8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.366 17.288 -8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 36 17.115 15.716 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.837 17.066 -6.510 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.598 18.050 -8.792 1.00 0.00 H new ATOM 0 HG22 VAL A 36 20.181 17.843 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 36 21.026 17.039 -8.468 1.00 0.00 H new ATOM 569 N ILE A 37 18.104 14.153 -5.523 1.00 0.00 N ATOM 570 CA ILE A 37 17.127 13.167 -5.150 1.00 0.00 C ATOM 571 C ILE A 37 15.753 13.608 -5.631 1.00 0.00 C ATOM 572 O ILE A 37 15.181 14.600 -5.152 1.00 0.00 O ATOM 573 CB ILE A 37 17.144 12.881 -3.631 1.00 0.00 C ATOM 574 CG1 ILE A 37 18.419 12.102 -3.273 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.903 12.112 -3.203 1.00 0.00 C ATOM 576 CD1 ILE A 37 18.461 11.585 -1.850 1.00 0.00 C ATOM 0 H ILE A 37 18.190 14.935 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 37 17.380 12.224 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 37 17.140 13.830 -3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.518 11.258 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 37 19.282 12.747 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.943 11.925 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.014 12.697 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.862 11.162 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.395 11.048 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 37 18.397 12.423 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 37 17.621 10.911 -1.683 1.00 0.00 H new ATOM 588 N ASP A 38 15.266 12.882 -6.623 1.00 0.00 N ATOM 589 CA ASP A 38 13.994 13.176 -7.253 1.00 0.00 C ATOM 590 C ASP A 38 12.875 12.581 -6.421 1.00 0.00 C ATOM 591 O ASP A 38 12.480 11.431 -6.616 1.00 0.00 O ATOM 592 CB ASP A 38 13.969 12.600 -8.670 1.00 0.00 C ATOM 593 CG ASP A 38 12.821 13.118 -9.510 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.655 12.959 -9.104 1.00 0.00 O ATOM 595 OD2 ASP A 38 13.085 13.681 -10.595 1.00 0.00 O ATOM 0 H ASP A 38 15.744 12.070 -7.014 1.00 0.00 H new ATOM 0 HA ASP A 38 13.857 14.256 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.909 12.838 -9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.905 11.513 -8.611 1.00 0.00 H new ATOM 600 N GLY A 39 12.437 13.340 -5.428 1.00 0.00 N ATOM 601 CA GLY A 39 11.384 12.886 -4.544 1.00 0.00 C ATOM 602 C GLY A 39 11.863 11.870 -3.518 1.00 0.00 C ATOM 603 O GLY A 39 11.424 11.890 -2.373 1.00 0.00 O ATOM 0 H GLY A 39 12.796 14.271 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.958 13.745 -4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.584 12.444 -5.138 1.00 0.00 H new ATOM 607 N GLY A 40 12.789 11.014 -3.917 1.00 0.00 N ATOM 608 CA GLY A 40 13.237 9.936 -3.064 1.00 0.00 C ATOM 609 C GLY A 40 14.282 9.088 -3.754 1.00 0.00 C ATOM 610 O GLY A 40 15.144 8.494 -3.106 1.00 0.00 O ATOM 0 H GLY A 40 13.244 11.048 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.649 10.346 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.387 9.314 -2.784 1.00 0.00 H new ATOM 614 N GLU A 41 14.205 9.044 -5.077 1.00 0.00 N ATOM 615 CA GLU A 41 15.172 8.310 -5.877 1.00 0.00 C ATOM 616 C GLU A 41 16.438 9.142 -6.078 1.00 0.00 C ATOM 617 O GLU A 41 16.381 10.367 -6.151 1.00 0.00 O ATOM 618 CB GLU A 41 14.563 7.944 -7.230 1.00 0.00 C ATOM 619 CG GLU A 41 13.201 7.282 -7.112 1.00 0.00 C ATOM 620 CD GLU A 41 12.692 6.747 -8.431 1.00 0.00 C ATOM 621 OE1 GLU A 41 12.182 7.539 -9.253 1.00 0.00 O ATOM 622 OE2 GLU A 41 12.786 5.519 -8.647 1.00 0.00 O ATOM 0 H GLU A 41 13.479 9.511 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 41 15.438 7.394 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.471 8.845 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.242 7.274 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.261 6.465 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.485 8.003 -6.717 1.00 0.00 H new ATOM 629 N ILE A 42 17.574 8.469 -6.156 1.00 0.00 N ATOM 630 CA ILE A 42 18.861 9.135 -6.324 1.00 0.00 C ATOM 631 C ILE A 42 19.273 9.126 -7.791 1.00 0.00 C ATOM 632 O ILE A 42 19.230 8.087 -8.438 1.00 0.00 O ATOM 633 CB ILE A 42 19.959 8.437 -5.489 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.569 8.419 -4.009 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.302 9.130 -5.677 1.00 0.00 C ATOM 636 CD1 ILE A 42 20.540 7.661 -3.129 1.00 0.00 C ATOM 0 H ILE A 42 17.634 7.452 -6.105 1.00 0.00 H new ATOM 0 HA ILE A 42 18.750 10.163 -5.978 1.00 0.00 H new ATOM 0 HB ILE A 42 20.055 7.409 -5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.494 9.446 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.579 7.973 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 42 22.060 8.622 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.585 9.096 -6.729 1.00 0.00 H new ATOM 0 HG23 ILE A 42 21.223 10.169 -5.356 1.00 0.00 H new ATOM 0 HD11 ILE A 42 20.196 7.693 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.598 6.624 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 42 21.527 8.119 -3.197 1.00 0.00 H new ATOM 648 N ILE A 43 19.646 10.283 -8.324 1.00 0.00 N ATOM 649 CA ILE A 43 20.116 10.362 -9.702 1.00 0.00 C ATOM 650 C ILE A 43 21.340 11.258 -9.788 1.00 0.00 C ATOM 651 O ILE A 43 21.294 12.413 -9.358 1.00 0.00 O ATOM 652 CB ILE A 43 19.050 10.929 -10.680 1.00 0.00 C ATOM 653 CG1 ILE A 43 17.659 10.358 -10.405 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.446 10.647 -12.122 1.00 0.00 C ATOM 655 CD1 ILE A 43 16.911 11.100 -9.322 1.00 0.00 C ATOM 0 H ILE A 43 19.633 11.174 -7.827 1.00 0.00 H new ATOM 0 HA ILE A 43 20.347 9.338 -9.997 1.00 0.00 H new ATOM 0 HB ILE A 43 19.008 12.006 -10.519 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.074 10.385 -11.325 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.754 9.311 -10.119 1.00 0.00 H new ATOM 0 HG21 ILE A 43 18.688 11.051 -12.793 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.406 11.117 -12.334 1.00 0.00 H new ATOM 0 HG23 ILE A 43 19.528 9.571 -12.273 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.932 10.643 -9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.475 11.051 -8.391 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.785 12.142 -9.615 1.00 0.00 H new ATOM 667 N LEU A 44 22.436 10.728 -10.320 1.00 0.00 N ATOM 668 CA LEU A 44 23.593 11.557 -10.633 1.00 0.00 C ATOM 669 C LEU A 44 23.181 12.683 -11.561 1.00 0.00 C ATOM 670 O LEU A 44 22.316 12.505 -12.419 1.00 0.00 O ATOM 671 CB LEU A 44 24.697 10.739 -11.304 1.00 0.00 C ATOM 672 CG LEU A 44 25.396 9.736 -10.401 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.379 8.892 -11.197 1.00 0.00 C ATOM 674 CD2 LEU A 44 26.107 10.450 -9.262 1.00 0.00 C ATOM 0 H LEU A 44 22.547 9.739 -10.541 1.00 0.00 H new ATOM 0 HA LEU A 44 23.978 11.961 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 44 24.268 10.204 -12.151 1.00 0.00 H new ATOM 0 HB3 LEU A 44 25.443 11.425 -11.705 1.00 0.00 H new ATOM 0 HG LEU A 44 24.642 9.074 -9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 44 26.869 8.180 -10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 44 25.845 8.351 -11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 44 27.129 9.539 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 44 26.602 9.717 -8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 44 26.849 11.136 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 44 25.380 11.010 -8.673 1.00 0.00 H new ATOM 686 N ARG A 45 23.816 13.833 -11.413 1.00 0.00 N ATOM 687 CA ARG A 45 23.509 14.976 -12.258 1.00 0.00 C ATOM 688 C ARG A 45 23.953 14.733 -13.700 1.00 0.00 C ATOM 689 O ARG A 45 23.754 15.581 -14.566 1.00 0.00 O ATOM 690 CB ARG A 45 24.138 16.256 -11.705 1.00 0.00 C ATOM 691 CG ARG A 45 23.479 16.743 -10.425 1.00 0.00 C ATOM 692 CD ARG A 45 23.594 18.250 -10.270 1.00 0.00 C ATOM 693 NE ARG A 45 23.025 18.964 -11.416 1.00 0.00 N ATOM 694 CZ ARG A 45 23.734 19.720 -12.255 1.00 0.00 C ATOM 695 NH1 ARG A 45 25.045 19.868 -12.092 1.00 0.00 N ATOM 696 NH2 ARG A 45 23.132 20.322 -13.271 1.00 0.00 N ATOM 0 H ARG A 45 24.544 14.001 -10.719 1.00 0.00 H new ATOM 0 HA ARG A 45 22.427 15.104 -12.257 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.197 16.080 -11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.074 17.040 -12.460 1.00 0.00 H new ATOM 0 HG2 ARG A 45 22.427 16.457 -10.426 1.00 0.00 H new ATOM 0 HG3 ARG A 45 23.942 16.253 -9.568 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.083 18.561 -9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 45 24.643 18.524 -10.156 1.00 0.00 H new ATOM 0 HE ARG A 45 22.022 18.877 -11.583 1.00 0.00 H new ATOM 0 HH11 ARG A 45 25.519 19.401 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 45 25.577 20.449 -12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.128 20.207 -13.410 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.673 20.901 -13.914 1.00 0.00 H new ATOM 710 N GLU A 46 24.530 13.562 -13.956 1.00 0.00 N ATOM 711 CA GLU A 46 24.967 13.210 -15.299 1.00 0.00 C ATOM 712 C GLU A 46 23.796 12.704 -16.139 1.00 0.00 C ATOM 713 O GLU A 46 23.861 12.684 -17.366 1.00 0.00 O ATOM 714 CB GLU A 46 26.071 12.152 -15.238 1.00 0.00 C ATOM 715 CG GLU A 46 27.326 12.630 -14.525 1.00 0.00 C ATOM 716 CD GLU A 46 27.900 13.886 -15.148 1.00 0.00 C ATOM 717 OE1 GLU A 46 28.670 13.774 -16.126 1.00 0.00 O ATOM 718 OE2 GLU A 46 27.574 14.990 -14.676 1.00 0.00 O ATOM 0 H GLU A 46 24.704 12.845 -13.252 1.00 0.00 H new ATOM 0 HA GLU A 46 25.364 14.107 -15.773 1.00 0.00 H new ATOM 0 HB2 GLU A 46 25.688 11.267 -14.730 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.331 11.850 -16.252 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.095 12.820 -13.477 1.00 0.00 H new ATOM 0 HG3 GLU A 46 28.077 11.840 -14.548 1.00 0.00 H new ATOM 725 N ASN A 47 22.723 12.291 -15.471 1.00 0.00 N ATOM 726 CA ASN A 47 21.532 11.796 -16.162 1.00 0.00 C ATOM 727 C ASN A 47 20.283 12.507 -15.643 1.00 0.00 C ATOM 728 O ASN A 47 19.191 12.367 -16.197 1.00 0.00 O ATOM 729 CB ASN A 47 21.412 10.278 -15.969 1.00 0.00 C ATOM 730 CG ASN A 47 20.257 9.662 -16.742 1.00 0.00 C ATOM 731 OD1 ASN A 47 19.145 9.549 -16.231 1.00 0.00 O ATOM 732 ND2 ASN A 47 20.517 9.249 -17.974 1.00 0.00 N ATOM 0 H ASN A 47 22.652 12.288 -14.454 1.00 0.00 H new ATOM 0 HA ASN A 47 21.625 12.007 -17.227 1.00 0.00 H new ATOM 0 HB2 ASN A 47 22.343 9.804 -16.282 1.00 0.00 H new ATOM 0 HB3 ASN A 47 21.286 10.063 -14.908 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.781 8.819 -18.534 1.00 0.00 H new ATOM 0 HD22 ASN A 47 21.454 9.361 -18.362 1.00 0.00 H new ATOM 739 N LEU A 48 20.476 13.306 -14.594 1.00 0.00 N ATOM 740 CA LEU A 48 19.387 14.006 -13.906 1.00 0.00 C ATOM 741 C LEU A 48 18.484 14.763 -14.873 1.00 0.00 C ATOM 742 O LEU A 48 17.274 14.846 -14.669 1.00 0.00 O ATOM 743 CB LEU A 48 19.970 14.992 -12.897 1.00 0.00 C ATOM 744 CG LEU A 48 18.940 15.794 -12.105 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.251 14.914 -11.076 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.600 16.991 -11.444 1.00 0.00 C ATOM 0 H LEU A 48 21.396 13.488 -14.194 1.00 0.00 H new ATOM 0 HA LEU A 48 18.783 13.251 -13.403 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.597 14.442 -12.195 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.620 15.688 -13.427 1.00 0.00 H new ATOM 0 HG LEU A 48 18.179 16.161 -12.794 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.521 15.505 -10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.744 14.092 -11.581 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.993 14.513 -10.385 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.854 17.554 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.381 16.647 -10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.039 17.632 -12.208 1.00 0.00 H new ATOM 758 N GLU A 49 19.083 15.310 -15.920 1.00 0.00 N ATOM 759 CA GLU A 49 18.365 16.104 -16.909 1.00 0.00 C ATOM 760 C GLU A 49 17.142 15.365 -17.460 1.00 0.00 C ATOM 761 O GLU A 49 16.069 15.950 -17.604 1.00 0.00 O ATOM 762 CB GLU A 49 19.314 16.472 -18.046 1.00 0.00 C ATOM 763 CG GLU A 49 20.443 17.396 -17.620 1.00 0.00 C ATOM 764 CD GLU A 49 19.949 18.777 -17.242 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.437 19.486 -18.136 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.081 19.165 -16.062 1.00 0.00 O ATOM 0 H GLU A 49 20.081 15.217 -16.109 1.00 0.00 H new ATOM 0 HA GLU A 49 18.002 17.007 -16.419 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.740 15.559 -18.463 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.745 16.951 -18.843 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.968 16.956 -16.772 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.165 17.481 -18.432 1.00 0.00 H new ATOM 773 N ARG A 50 17.298 14.076 -17.746 1.00 0.00 N ATOM 774 CA ARG A 50 16.201 13.282 -18.292 1.00 0.00 C ATOM 775 C ARG A 50 15.123 13.067 -17.233 1.00 0.00 C ATOM 776 O ARG A 50 13.924 13.136 -17.518 1.00 0.00 O ATOM 777 CB ARG A 50 16.715 11.936 -18.805 1.00 0.00 C ATOM 778 CG ARG A 50 15.652 11.095 -19.498 1.00 0.00 C ATOM 779 CD ARG A 50 15.060 11.817 -20.700 1.00 0.00 C ATOM 780 NE ARG A 50 16.064 12.112 -21.724 1.00 0.00 N ATOM 781 CZ ARG A 50 15.774 12.420 -22.991 1.00 0.00 C ATOM 782 NH1 ARG A 50 14.512 12.557 -23.382 1.00 0.00 N ATOM 783 NH2 ARG A 50 16.754 12.620 -23.861 1.00 0.00 N ATOM 0 H ARG A 50 18.168 13.561 -17.610 1.00 0.00 H new ATOM 0 HA ARG A 50 15.765 13.827 -19.129 1.00 0.00 H new ATOM 0 HB2 ARG A 50 17.536 12.112 -19.500 1.00 0.00 H new ATOM 0 HB3 ARG A 50 17.123 11.370 -17.967 1.00 0.00 H new ATOM 0 HG2 ARG A 50 16.088 10.149 -19.820 1.00 0.00 H new ATOM 0 HG3 ARG A 50 14.859 10.855 -18.790 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.270 11.205 -21.135 1.00 0.00 H new ATOM 0 HD3 ARG A 50 14.597 12.747 -20.370 1.00 0.00 H new ATOM 0 HE ARG A 50 17.047 12.080 -21.453 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.754 12.427 -22.712 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.301 12.792 -24.352 1.00 0.00 H new ATOM 0 HH21 ARG A 50 17.726 12.539 -23.562 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.536 12.855 -24.829 1.00 0.00 H new ATOM 797 N TYR A 51 15.562 12.834 -16.006 1.00 0.00 N ATOM 798 CA TYR A 51 14.646 12.646 -14.890 1.00 0.00 C ATOM 799 C TYR A 51 13.825 13.911 -14.664 1.00 0.00 C ATOM 800 O TYR A 51 12.627 13.847 -14.378 1.00 0.00 O ATOM 801 CB TYR A 51 15.424 12.280 -13.625 1.00 0.00 C ATOM 802 CG TYR A 51 15.004 10.964 -13.016 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.191 9.767 -13.700 1.00 0.00 C ATOM 804 CD2 TYR A 51 14.435 10.914 -11.754 1.00 0.00 C ATOM 805 CE1 TYR A 51 14.819 8.561 -13.138 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.058 9.712 -11.187 1.00 0.00 C ATOM 807 CZ TYR A 51 14.252 8.540 -11.881 1.00 0.00 C ATOM 808 OH TYR A 51 13.889 7.342 -11.314 1.00 0.00 O ATOM 0 H TYR A 51 16.549 12.770 -15.757 1.00 0.00 H new ATOM 0 HA TYR A 51 13.965 11.829 -15.127 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.487 12.238 -13.862 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.293 13.071 -12.886 1.00 0.00 H new ATOM 0 HD1 TYR A 51 15.634 9.781 -14.685 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.283 11.831 -11.204 1.00 0.00 H new ATOM 0 HE1 TYR A 51 14.971 7.639 -13.680 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.613 9.692 -10.203 1.00 0.00 H new ATOM 0 HH TYR A 51 13.049 7.454 -10.823 1.00 0.00 H new ATOM 818 N LEU A 52 14.470 15.063 -14.830 1.00 0.00 N ATOM 819 CA LEU A 52 13.800 16.349 -14.688 1.00 0.00 C ATOM 820 C LEU A 52 12.823 16.587 -15.835 1.00 0.00 C ATOM 821 O LEU A 52 11.862 17.339 -15.698 1.00 0.00 O ATOM 822 CB LEU A 52 14.819 17.491 -14.628 1.00 0.00 C ATOM 823 CG LEU A 52 15.804 17.436 -13.456 1.00 0.00 C ATOM 824 CD1 LEU A 52 16.672 18.685 -13.436 1.00 0.00 C ATOM 825 CD2 LEU A 52 15.061 17.282 -12.137 1.00 0.00 C ATOM 0 H LEU A 52 15.461 15.130 -15.064 1.00 0.00 H new ATOM 0 HA LEU A 52 13.241 16.327 -13.753 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.388 17.496 -15.558 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.277 18.436 -14.580 1.00 0.00 H new ATOM 0 HG LEU A 52 16.449 16.567 -13.588 1.00 0.00 H new ATOM 0 HD11 LEU A 52 17.367 18.632 -12.598 1.00 0.00 H new ATOM 0 HD12 LEU A 52 17.233 18.754 -14.368 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.039 19.566 -13.327 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.779 17.245 -11.317 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.392 18.131 -11.995 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.480 16.360 -12.152 1.00 0.00 H new ATOM 837 N ARG A 53 13.067 15.951 -16.971 1.00 0.00 N ATOM 838 CA ARG A 53 12.140 16.036 -18.089 1.00 0.00 C ATOM 839 C ARG A 53 10.846 15.304 -17.771 1.00 0.00 C ATOM 840 O ARG A 53 9.760 15.758 -18.129 1.00 0.00 O ATOM 841 CB ARG A 53 12.751 15.458 -19.363 1.00 0.00 C ATOM 842 CG ARG A 53 13.819 16.337 -19.981 1.00 0.00 C ATOM 843 CD ARG A 53 14.240 15.808 -21.339 1.00 0.00 C ATOM 844 NE ARG A 53 15.129 16.735 -22.029 1.00 0.00 N ATOM 845 CZ ARG A 53 14.752 17.494 -23.057 1.00 0.00 C ATOM 846 NH1 ARG A 53 13.496 17.453 -23.490 1.00 0.00 N ATOM 847 NH2 ARG A 53 15.625 18.302 -23.644 1.00 0.00 N ATOM 0 H ARG A 53 13.891 15.375 -17.142 1.00 0.00 H new ATOM 0 HA ARG A 53 11.926 17.092 -18.254 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.182 14.482 -19.138 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.959 15.296 -20.094 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.443 17.355 -20.084 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.685 16.383 -19.320 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.741 14.848 -21.216 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.355 15.630 -21.950 1.00 0.00 H new ATOM 0 HE ARG A 53 16.094 16.806 -21.706 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.819 16.840 -23.035 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.209 18.035 -24.277 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.587 18.343 -23.309 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.334 18.882 -24.431 1.00 0.00 H new ATOM 861 N GLU A 54 10.966 14.172 -17.092 1.00 0.00 N ATOM 862 CA GLU A 54 9.802 13.345 -16.796 1.00 0.00 C ATOM 863 C GLU A 54 9.097 13.771 -15.506 1.00 0.00 C ATOM 864 O GLU A 54 7.967 14.259 -15.549 1.00 0.00 O ATOM 865 CB GLU A 54 10.204 11.872 -16.738 1.00 0.00 C ATOM 866 CG GLU A 54 10.762 11.365 -18.057 1.00 0.00 C ATOM 867 CD GLU A 54 11.038 9.880 -18.045 1.00 0.00 C ATOM 868 OE1 GLU A 54 10.102 9.100 -18.318 1.00 0.00 O ATOM 869 OE2 GLU A 54 12.192 9.490 -17.781 1.00 0.00 O ATOM 0 H GLU A 54 11.850 13.806 -16.738 1.00 0.00 H new ATOM 0 HA GLU A 54 9.085 13.486 -17.605 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.950 11.734 -15.955 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.336 11.273 -16.461 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.056 11.592 -18.856 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.684 11.899 -18.285 1.00 0.00 H new ATOM 876 N GLN A 55 9.742 13.583 -14.362 1.00 0.00 N ATOM 877 CA GLN A 55 9.098 13.866 -13.079 1.00 0.00 C ATOM 878 C GLN A 55 9.573 15.185 -12.469 1.00 0.00 C ATOM 879 O GLN A 55 8.896 15.755 -11.616 1.00 0.00 O ATOM 880 CB GLN A 55 9.285 12.692 -12.120 1.00 0.00 C ATOM 881 CG GLN A 55 10.709 12.178 -12.052 1.00 0.00 C ATOM 882 CD GLN A 55 10.788 10.769 -11.501 1.00 0.00 C ATOM 883 OE1 GLN A 55 10.700 9.795 -12.252 1.00 0.00 O ATOM 884 NE2 GLN A 55 10.964 10.647 -10.194 1.00 0.00 N ATOM 0 H GLN A 55 10.700 13.240 -14.292 1.00 0.00 H new ATOM 0 HA GLN A 55 8.030 13.987 -13.262 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.971 12.997 -11.122 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.629 11.877 -12.426 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.149 12.201 -13.049 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.303 12.844 -11.426 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.032 11.480 -9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.032 9.720 -9.773 1.00 0.00 H new ATOM 893 N LEU A 56 10.745 15.655 -12.904 1.00 0.00 N ATOM 894 CA LEU A 56 11.211 17.019 -12.606 1.00 0.00 C ATOM 895 C LEU A 56 11.571 17.217 -11.125 1.00 0.00 C ATOM 896 O LEU A 56 11.602 18.343 -10.636 1.00 0.00 O ATOM 897 CB LEU A 56 10.150 18.046 -13.050 1.00 0.00 C ATOM 898 CG LEU A 56 10.553 19.525 -12.952 1.00 0.00 C ATOM 899 CD1 LEU A 56 11.723 19.837 -13.872 1.00 0.00 C ATOM 900 CD2 LEU A 56 9.369 20.420 -13.276 1.00 0.00 C ATOM 0 H LEU A 56 11.396 15.109 -13.468 1.00 0.00 H new ATOM 0 HA LEU A 56 12.130 17.176 -13.170 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.879 17.833 -14.084 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.254 17.895 -12.448 1.00 0.00 H new ATOM 0 HG LEU A 56 10.869 19.721 -11.927 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.986 20.891 -13.781 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.580 19.224 -13.592 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.443 19.620 -14.903 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.671 21.465 -13.202 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.023 20.213 -14.289 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.562 20.225 -12.570 1.00 0.00 H new ATOM 912 N GLY A 57 11.883 16.144 -10.416 1.00 0.00 N ATOM 913 CA GLY A 57 12.319 16.288 -9.036 1.00 0.00 C ATOM 914 C GLY A 57 11.266 15.872 -8.026 1.00 0.00 C ATOM 915 O GLY A 57 11.496 15.946 -6.817 1.00 0.00 O ATOM 0 H GLY A 57 11.844 15.185 -10.762 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.217 15.689 -8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.594 17.327 -8.856 1.00 0.00 H new ATOM 919 N PHE A 58 10.120 15.430 -8.515 1.00 0.00 N ATOM 920 CA PHE A 58 9.024 15.036 -7.643 1.00 0.00 C ATOM 921 C PHE A 58 8.732 13.551 -7.807 1.00 0.00 C ATOM 922 O PHE A 58 8.504 13.079 -8.922 1.00 0.00 O ATOM 923 CB PHE A 58 7.758 15.827 -7.976 1.00 0.00 C ATOM 924 CG PHE A 58 7.978 17.298 -8.162 1.00 0.00 C ATOM 925 CD1 PHE A 58 7.903 18.168 -7.087 1.00 0.00 C ATOM 926 CD2 PHE A 58 8.249 17.811 -9.419 1.00 0.00 C ATOM 927 CE1 PHE A 58 8.090 19.525 -7.266 1.00 0.00 C ATOM 928 CE2 PHE A 58 8.439 19.166 -9.602 1.00 0.00 C ATOM 929 CZ PHE A 58 8.359 20.025 -8.525 1.00 0.00 C ATOM 0 H PHE A 58 9.923 15.335 -9.511 1.00 0.00 H new ATOM 0 HA PHE A 58 9.320 15.244 -6.615 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.319 15.420 -8.887 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.031 15.679 -7.177 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.696 17.782 -6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.312 17.144 -10.266 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.026 20.195 -6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.650 19.554 -10.588 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.506 21.086 -8.666 1.00 0.00 H new ATOM 939 N GLU A 59 8.695 12.820 -6.705 1.00 0.00 N ATOM 940 CA GLU A 59 8.389 11.404 -6.770 1.00 0.00 C ATOM 941 C GLU A 59 6.892 11.196 -6.596 1.00 0.00 C ATOM 942 O GLU A 59 6.362 11.272 -5.482 1.00 0.00 O ATOM 943 CB GLU A 59 9.146 10.622 -5.697 1.00 0.00 C ATOM 944 CG GLU A 59 9.025 9.118 -5.859 1.00 0.00 C ATOM 945 CD GLU A 59 9.458 8.353 -4.629 1.00 0.00 C ATOM 946 OE1 GLU A 59 10.656 8.027 -4.511 1.00 0.00 O ATOM 947 OE2 GLU A 59 8.581 8.033 -3.799 1.00 0.00 O ATOM 0 H GLU A 59 8.871 13.179 -5.767 1.00 0.00 H new ATOM 0 HA GLU A 59 8.703 11.032 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.199 10.901 -5.728 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.769 10.907 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.990 8.866 -6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.629 8.800 -6.709 1.00 0.00 H new ATOM 954 N PHE A 60 6.213 10.957 -7.703 1.00 0.00 N ATOM 955 CA PHE A 60 4.777 10.762 -7.689 1.00 0.00 C ATOM 956 C PHE A 60 4.430 9.335 -7.299 1.00 0.00 C ATOM 957 O PHE A 60 4.872 8.375 -7.934 1.00 0.00 O ATOM 958 CB PHE A 60 4.178 11.100 -9.056 1.00 0.00 C ATOM 959 CG PHE A 60 4.266 12.559 -9.406 1.00 0.00 C ATOM 960 CD1 PHE A 60 3.311 13.449 -8.943 1.00 0.00 C ATOM 961 CD2 PHE A 60 5.301 13.041 -10.195 1.00 0.00 C ATOM 962 CE1 PHE A 60 3.384 14.792 -9.259 1.00 0.00 C ATOM 963 CE2 PHE A 60 5.379 14.384 -10.513 1.00 0.00 C ATOM 964 CZ PHE A 60 4.418 15.260 -10.045 1.00 0.00 C ATOM 0 H PHE A 60 6.637 10.893 -8.628 1.00 0.00 H new ATOM 0 HA PHE A 60 4.350 11.434 -6.945 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.692 10.519 -9.822 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.132 10.793 -9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.500 13.089 -8.328 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.053 12.360 -10.564 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.633 15.475 -8.891 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.190 14.748 -11.126 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.476 16.309 -10.294 1.00 0.00 H new ATOM 974 N LYS A 61 3.657 9.208 -6.238 1.00 0.00 N ATOM 975 CA LYS A 61 3.175 7.918 -5.788 1.00 0.00 C ATOM 976 C LYS A 61 1.671 7.828 -5.993 1.00 0.00 C ATOM 977 O LYS A 61 1.058 8.740 -6.553 1.00 0.00 O ATOM 978 CB LYS A 61 3.529 7.692 -4.316 1.00 0.00 C ATOM 979 CG LYS A 61 4.951 7.195 -4.090 1.00 0.00 C ATOM 980 CD LYS A 61 5.126 5.775 -4.610 1.00 0.00 C ATOM 981 CE LYS A 61 6.503 5.209 -4.291 1.00 0.00 C ATOM 982 NZ LYS A 61 7.585 5.941 -4.998 1.00 0.00 N ATOM 0 H LYS A 61 3.347 9.993 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 61 3.660 7.139 -6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.391 8.626 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.831 6.970 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.655 7.858 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.186 7.227 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.361 5.133 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.972 5.764 -5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.675 5.259 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.535 4.156 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.485 5.434 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.357 6.004 -6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.672 6.899 -4.603 1.00 0.00 H new ATOM 996 N ASN A 62 1.085 6.735 -5.543 1.00 0.00 N ATOM 997 CA ASN A 62 -0.340 6.514 -5.702 1.00 0.00 C ATOM 998 C ASN A 62 -0.780 5.408 -4.760 1.00 0.00 C ATOM 999 O ASN A 62 0.053 4.636 -4.282 1.00 0.00 O ATOM 1000 CB ASN A 62 -0.653 6.137 -7.159 1.00 0.00 C ATOM 1001 CG ASN A 62 -2.140 6.065 -7.447 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -2.759 5.009 -7.322 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -2.722 7.188 -7.830 1.00 0.00 N ATOM 0 H ASN A 62 1.577 5.982 -5.062 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.883 7.427 -5.460 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.195 6.869 -7.824 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.198 5.173 -7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.721 7.201 -8.034 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.172 8.042 -7.921 1.00 0.00 H new ATOM 1010 N ALA A 63 -2.078 5.332 -4.495 1.00 0.00 N ATOM 1011 CA ALA A 63 -2.630 4.283 -3.643 1.00 0.00 C ATOM 1012 C ALA A 63 -2.494 2.911 -4.303 1.00 0.00 C ATOM 1013 O ALA A 63 -2.770 1.884 -3.685 1.00 0.00 O ATOM 1014 CB ALA A 63 -4.088 4.579 -3.329 1.00 0.00 C ATOM 0 H ALA A 63 -2.771 5.986 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.064 4.265 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.491 3.791 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.162 5.536 -2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.658 4.623 -4.257 1.00 0.00 H new ATOM 1477 N ASP B 19 4.049 0.032 10.209 1.00 0.00 N ATOM 1478 CA ASP B 19 4.736 0.569 9.036 1.00 0.00 C ATOM 1479 C ASP B 19 3.994 1.821 8.584 1.00 0.00 C ATOM 1480 O ASP B 19 3.909 2.142 7.401 1.00 0.00 O ATOM 1481 CB ASP B 19 4.773 -0.484 7.918 1.00 0.00 C ATOM 1482 CG ASP B 19 5.751 -0.141 6.806 1.00 0.00 C ATOM 1483 OD1 ASP B 19 6.971 -0.108 7.072 1.00 0.00 O ATOM 1484 OD2 ASP B 19 5.307 0.079 5.660 1.00 0.00 O ATOM 0 HA ASP B 19 5.767 0.825 9.281 1.00 0.00 H new ATOM 0 HB2 ASP B 19 5.043 -1.450 8.346 1.00 0.00 H new ATOM 0 HB3 ASP B 19 3.774 -0.591 7.495 1.00 0.00 H new ATOM 1489 N VAL B 20 3.462 2.531 9.569 1.00 0.00 N ATOM 1490 CA VAL B 20 2.602 3.679 9.326 1.00 0.00 C ATOM 1491 C VAL B 20 3.412 4.875 8.836 1.00 0.00 C ATOM 1492 O VAL B 20 4.161 5.482 9.602 1.00 0.00 O ATOM 1493 CB VAL B 20 1.849 4.081 10.613 1.00 0.00 C ATOM 1494 CG1 VAL B 20 0.716 5.046 10.292 1.00 0.00 C ATOM 1495 CG2 VAL B 20 1.334 2.847 11.352 1.00 0.00 C ATOM 0 H VAL B 20 3.614 2.327 10.557 1.00 0.00 H new ATOM 0 HA VAL B 20 1.884 3.390 8.558 1.00 0.00 H new ATOM 0 HB VAL B 20 2.549 4.593 11.274 1.00 0.00 H new ATOM 0 HG11 VAL B 20 0.198 5.317 11.212 1.00 0.00 H new ATOM 0 HG12 VAL B 20 1.123 5.944 9.827 1.00 0.00 H new ATOM 0 HG13 VAL B 20 0.015 4.569 9.607 1.00 0.00 H new ATOM 0 HG21 VAL B 20 0.807 3.157 12.255 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.652 2.294 10.706 1.00 0.00 H new ATOM 0 HG23 VAL B 20 2.175 2.208 11.623 1.00 0.00 H new ATOM 1505 N GLN B 21 3.273 5.200 7.561 1.00 0.00 N ATOM 1506 CA GLN B 21 3.922 6.374 7.001 1.00 0.00 C ATOM 1507 C GLN B 21 3.015 7.591 7.149 1.00 0.00 C ATOM 1508 O GLN B 21 1.817 7.526 6.873 1.00 0.00 O ATOM 1509 CB GLN B 21 4.290 6.139 5.527 1.00 0.00 C ATOM 1510 CG GLN B 21 3.150 5.582 4.692 1.00 0.00 C ATOM 1511 CD GLN B 21 3.557 5.253 3.267 1.00 0.00 C ATOM 1512 OE1 GLN B 21 4.709 4.923 2.993 1.00 0.00 O ATOM 1513 NE2 GLN B 21 2.603 5.329 2.353 1.00 0.00 N ATOM 0 H GLN B 21 2.716 4.667 6.894 1.00 0.00 H new ATOM 0 HA GLN B 21 4.845 6.561 7.550 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.621 7.081 5.090 1.00 0.00 H new ATOM 0 HB3 GLN B 21 5.134 5.451 5.478 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.765 4.681 5.170 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.335 6.306 4.672 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.659 5.607 2.623 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.811 5.109 1.379 1.00 0.00 H new ATOM 1522 N ILE B 22 3.582 8.686 7.625 1.00 0.00 N ATOM 1523 CA ILE B 22 2.838 9.925 7.786 1.00 0.00 C ATOM 1524 C ILE B 22 3.423 11.000 6.878 1.00 0.00 C ATOM 1525 O ILE B 22 4.620 10.993 6.594 1.00 0.00 O ATOM 1526 CB ILE B 22 2.848 10.412 9.257 1.00 0.00 C ATOM 1527 CG1 ILE B 22 2.074 9.444 10.154 1.00 0.00 C ATOM 1528 CG2 ILE B 22 2.270 11.815 9.382 1.00 0.00 C ATOM 1529 CD1 ILE B 22 1.893 9.957 11.567 1.00 0.00 C ATOM 0 H ILE B 22 4.560 8.743 7.908 1.00 0.00 H new ATOM 0 HA ILE B 22 1.802 9.732 7.507 1.00 0.00 H new ATOM 0 HB ILE B 22 3.887 10.442 9.584 1.00 0.00 H new ATOM 0 HG12 ILE B 22 1.095 9.255 9.714 1.00 0.00 H new ATOM 0 HG13 ILE B 22 2.599 8.489 10.185 1.00 0.00 H new ATOM 0 HG21 ILE B 22 2.292 12.126 10.427 1.00 0.00 H new ATOM 0 HG22 ILE B 22 2.863 12.507 8.785 1.00 0.00 H new ATOM 0 HG23 ILE B 22 1.240 11.818 9.024 1.00 0.00 H new ATOM 0 HD11 ILE B 22 1.337 9.224 12.152 1.00 0.00 H new ATOM 0 HD12 ILE B 22 2.870 10.119 12.023 1.00 0.00 H new ATOM 0 HD13 ILE B 22 1.342 10.897 11.545 1.00 0.00 H new ATOM 1541 N ASP B 23 2.575 11.910 6.415 1.00 0.00 N ATOM 1542 CA ASP B 23 3.004 12.973 5.528 1.00 0.00 C ATOM 1543 C ASP B 23 3.674 14.107 6.317 1.00 0.00 C ATOM 1544 O ASP B 23 3.887 14.002 7.529 1.00 0.00 O ATOM 1545 CB ASP B 23 1.803 13.504 4.736 1.00 0.00 C ATOM 1546 CG ASP B 23 1.051 14.606 5.453 1.00 0.00 C ATOM 1547 OD1 ASP B 23 0.522 14.358 6.561 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.016 15.735 4.914 1.00 0.00 O ATOM 0 H ASP B 23 1.581 11.929 6.643 1.00 0.00 H new ATOM 0 HA ASP B 23 3.739 12.571 4.831 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.149 13.878 3.772 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.119 12.680 4.532 1.00 0.00 H new ATOM 1553 N PHE B 24 4.004 15.181 5.614 1.00 0.00 N ATOM 1554 CA PHE B 24 4.701 16.321 6.191 1.00 0.00 C ATOM 1555 C PHE B 24 3.788 17.119 7.122 1.00 0.00 C ATOM 1556 O PHE B 24 4.261 17.838 8.004 1.00 0.00 O ATOM 1557 CB PHE B 24 5.228 17.215 5.063 1.00 0.00 C ATOM 1558 CG PHE B 24 6.119 18.337 5.525 1.00 0.00 C ATOM 1559 CD1 PHE B 24 7.432 18.091 5.889 1.00 0.00 C ATOM 1560 CD2 PHE B 24 5.643 19.638 5.586 1.00 0.00 C ATOM 1561 CE1 PHE B 24 8.253 19.118 6.311 1.00 0.00 C ATOM 1562 CE2 PHE B 24 6.462 20.669 6.005 1.00 0.00 C ATOM 1563 CZ PHE B 24 7.769 20.409 6.366 1.00 0.00 C ATOM 0 H PHE B 24 3.794 15.286 4.621 1.00 0.00 H new ATOM 0 HA PHE B 24 5.536 15.954 6.788 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.779 16.598 4.354 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.380 17.639 4.525 1.00 0.00 H new ATOM 0 HD1 PHE B 24 7.819 17.084 5.842 1.00 0.00 H new ATOM 0 HD2 PHE B 24 4.622 19.848 5.303 1.00 0.00 H new ATOM 0 HE1 PHE B 24 9.273 18.911 6.598 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.080 21.678 6.050 1.00 0.00 H new ATOM 0 HZ PHE B 24 8.411 21.214 6.691 1.00 0.00 H new ATOM 1573 N TYR B 25 2.483 16.994 6.924 1.00 0.00 N ATOM 1574 CA TYR B 25 1.517 17.700 7.749 1.00 0.00 C ATOM 1575 C TYR B 25 1.425 17.048 9.124 1.00 0.00 C ATOM 1576 O TYR B 25 1.429 17.734 10.145 1.00 0.00 O ATOM 1577 CB TYR B 25 0.141 17.698 7.080 1.00 0.00 C ATOM 1578 CG TYR B 25 -0.783 18.790 7.568 1.00 0.00 C ATOM 1579 CD1 TYR B 25 -1.539 18.632 8.722 1.00 0.00 C ATOM 1580 CD2 TYR B 25 -0.899 19.980 6.862 1.00 0.00 C ATOM 1581 CE1 TYR B 25 -2.384 19.633 9.160 1.00 0.00 C ATOM 1582 CE2 TYR B 25 -1.741 20.985 7.294 1.00 0.00 C ATOM 1583 CZ TYR B 25 -2.481 20.806 8.442 1.00 0.00 C ATOM 1584 OH TYR B 25 -3.326 21.803 8.873 1.00 0.00 O ATOM 0 H TYR B 25 2.070 16.409 6.198 1.00 0.00 H new ATOM 0 HA TYR B 25 1.850 18.731 7.865 1.00 0.00 H new ATOM 0 HB2 TYR B 25 0.272 17.802 6.003 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -0.333 16.732 7.251 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -1.465 17.713 9.285 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -0.321 20.122 5.961 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -2.966 19.498 10.060 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -1.819 21.906 6.735 1.00 0.00 H new ATOM 0 HH TYR B 25 -3.276 22.563 8.256 1.00 0.00 H new ATOM 1594 N GLY B 26 1.351 15.722 9.145 1.00 0.00 N ATOM 1595 CA GLY B 26 1.245 15.012 10.400 1.00 0.00 C ATOM 1596 C GLY B 26 -0.060 14.260 10.518 1.00 0.00 C ATOM 1597 O GLY B 26 -0.560 14.038 11.621 1.00 0.00 O ATOM 0 H GLY B 26 1.363 15.129 8.315 1.00 0.00 H new ATOM 0 HA2 GLY B 26 2.076 14.312 10.492 1.00 0.00 H new ATOM 0 HA3 GLY B 26 1.331 15.719 11.225 1.00 0.00 H new ATOM 1601 N ASP B 27 -0.621 13.869 9.380 1.00 0.00 N ATOM 1602 CA ASP B 27 -1.867 13.114 9.370 1.00 0.00 C ATOM 1603 C ASP B 27 -1.558 11.619 9.271 1.00 0.00 C ATOM 1604 O ASP B 27 -0.830 11.077 10.101 1.00 0.00 O ATOM 1605 CB ASP B 27 -2.750 13.565 8.200 1.00 0.00 C ATOM 1606 CG ASP B 27 -4.200 13.144 8.363 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -4.984 13.919 8.949 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -4.571 12.050 7.889 1.00 0.00 O ATOM 0 H ASP B 27 -0.234 14.061 8.456 1.00 0.00 H new ATOM 0 HA ASP B 27 -2.410 13.300 10.296 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -2.699 14.650 8.109 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -2.357 13.149 7.272 1.00 0.00 H new ATOM 1613 N GLU B 28 -2.112 10.956 8.267 1.00 0.00 N ATOM 1614 CA GLU B 28 -1.822 9.554 8.010 1.00 0.00 C ATOM 1615 C GLU B 28 -1.726 9.311 6.516 1.00 0.00 C ATOM 1616 O GLU B 28 -2.496 9.877 5.737 1.00 0.00 O ATOM 1617 CB GLU B 28 -2.914 8.648 8.582 1.00 0.00 C ATOM 1618 CG GLU B 28 -3.100 8.765 10.079 1.00 0.00 C ATOM 1619 CD GLU B 28 -4.327 8.032 10.568 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -5.413 8.647 10.602 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -4.208 6.845 10.933 1.00 0.00 O ATOM 0 H GLU B 28 -2.772 11.373 7.610 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.874 9.318 8.494 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -3.858 8.883 8.091 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.676 7.613 8.337 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -2.219 8.369 10.584 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -3.177 9.818 10.351 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.781 8.483 6.117 1.00 0.00 N ATOM 1629 CA VAL B 29 -0.683 8.062 4.736 1.00 0.00 C ATOM 1630 C VAL B 29 -0.825 6.549 4.659 1.00 0.00 C ATOM 1631 O VAL B 29 0.150 5.806 4.763 1.00 0.00 O ATOM 1632 CB VAL B 29 0.644 8.501 4.084 1.00 0.00 C ATOM 1633 CG1 VAL B 29 0.665 8.138 2.610 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.865 9.994 4.272 1.00 0.00 C ATOM 0 H VAL B 29 -0.069 8.088 6.732 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.488 8.544 4.182 1.00 0.00 H new ATOM 0 HB VAL B 29 1.458 7.969 4.577 1.00 0.00 H new ATOM 0 HG11 VAL B 29 1.610 8.457 2.170 1.00 0.00 H new ATOM 0 HG12 VAL B 29 0.559 7.059 2.500 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.159 8.637 2.101 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.806 10.284 3.805 1.00 0.00 H new ATOM 0 HG22 VAL B 29 0.046 10.544 3.809 1.00 0.00 H new ATOM 0 HG23 VAL B 29 0.902 10.225 5.337 1.00 0.00 H new ATOM 1644 N THR B 30 -2.053 6.100 4.518 1.00 0.00 N ATOM 1645 CA THR B 30 -2.336 4.684 4.438 1.00 0.00 C ATOM 1646 C THR B 30 -2.215 4.226 2.986 1.00 0.00 C ATOM 1647 O THR B 30 -2.126 5.059 2.081 1.00 0.00 O ATOM 1648 CB THR B 30 -3.753 4.374 4.978 1.00 0.00 C ATOM 1649 OG1 THR B 30 -4.746 5.014 4.170 1.00 0.00 O ATOM 1650 CG2 THR B 30 -3.894 4.842 6.422 1.00 0.00 C ATOM 0 H THR B 30 -2.876 6.699 4.456 1.00 0.00 H new ATOM 0 HA THR B 30 -1.615 4.145 5.053 1.00 0.00 H new ATOM 0 HB THR B 30 -3.899 3.295 4.940 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.728 5.980 4.333 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.897 4.614 6.782 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.160 4.329 7.044 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.725 5.918 6.474 1.00 0.00 H new ATOM 1658 N PRO B 31 -2.194 2.908 2.739 1.00 0.00 N ATOM 1659 CA PRO B 31 -2.157 2.351 1.376 1.00 0.00 C ATOM 1660 C PRO B 31 -3.349 2.779 0.507 1.00 0.00 C ATOM 1661 O PRO B 31 -3.418 2.437 -0.670 1.00 0.00 O ATOM 1662 CB PRO B 31 -2.196 0.836 1.607 1.00 0.00 C ATOM 1663 CG PRO B 31 -1.716 0.641 3.003 1.00 0.00 C ATOM 1664 CD PRO B 31 -2.154 1.857 3.767 1.00 0.00 C ATOM 0 HA PRO B 31 -1.279 2.703 0.834 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -3.205 0.444 1.479 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -1.558 0.313 0.895 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -2.138 -0.265 3.437 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -0.632 0.533 3.031 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -3.130 1.711 4.231 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -1.455 2.103 4.566 1.00 0.00 H new ATOM 1672 N VAL B 32 -4.286 3.518 1.091 1.00 0.00 N ATOM 1673 CA VAL B 32 -5.471 3.960 0.367 1.00 0.00 C ATOM 1674 C VAL B 32 -5.437 5.479 0.157 1.00 0.00 C ATOM 1675 O VAL B 32 -6.408 6.082 -0.301 1.00 0.00 O ATOM 1676 CB VAL B 32 -6.766 3.563 1.124 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -7.985 3.653 0.217 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -6.642 2.162 1.710 1.00 0.00 C ATOM 0 H VAL B 32 -4.247 3.823 2.064 1.00 0.00 H new ATOM 0 HA VAL B 32 -5.472 3.466 -0.605 1.00 0.00 H new ATOM 0 HB VAL B 32 -6.901 4.270 1.942 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -8.876 3.369 0.776 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -8.094 4.675 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -7.858 2.979 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -7.561 1.905 2.236 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -6.471 1.445 0.907 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -5.805 2.132 2.407 1.00 0.00 H new ATOM 1688 N ASP B 33 -4.312 6.099 0.486 1.00 0.00 N ATOM 1689 CA ASP B 33 -4.174 7.545 0.331 1.00 0.00 C ATOM 1690 C ASP B 33 -3.282 7.884 -0.853 1.00 0.00 C ATOM 1691 O ASP B 33 -2.190 7.335 -1.002 1.00 0.00 O ATOM 1692 CB ASP B 33 -3.598 8.191 1.598 1.00 0.00 C ATOM 1693 CG ASP B 33 -4.541 8.123 2.783 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -5.627 8.738 2.731 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -4.199 7.461 3.781 1.00 0.00 O ATOM 0 H ASP B 33 -3.487 5.630 0.859 1.00 0.00 H new ATOM 0 HA ASP B 33 -5.173 7.943 0.155 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -2.662 7.696 1.857 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -3.360 9.234 1.390 1.00 0.00 H new ATOM 1700 N ASP B 34 -3.760 8.785 -1.701 1.00 0.00 N ATOM 1701 CA ASP B 34 -2.960 9.295 -2.806 1.00 0.00 C ATOM 1702 C ASP B 34 -1.979 10.333 -2.282 1.00 0.00 C ATOM 1703 O ASP B 34 -2.385 11.343 -1.698 1.00 0.00 O ATOM 1704 CB ASP B 34 -3.849 9.921 -3.886 1.00 0.00 C ATOM 1705 CG ASP B 34 -4.716 8.907 -4.607 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -5.788 8.549 -4.077 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -4.341 8.477 -5.719 1.00 0.00 O ATOM 0 H ASP B 34 -4.699 9.178 -1.644 1.00 0.00 H new ATOM 0 HA ASP B 34 -2.416 8.463 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.488 10.676 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.220 10.434 -4.613 1.00 0.00 H new ATOM 1712 N TYR B 35 -0.693 10.092 -2.479 1.00 0.00 N ATOM 1713 CA TYR B 35 0.325 10.972 -1.926 1.00 0.00 C ATOM 1714 C TYR B 35 1.508 11.126 -2.875 1.00 0.00 C ATOM 1715 O TYR B 35 1.676 10.348 -3.815 1.00 0.00 O ATOM 1716 CB TYR B 35 0.804 10.438 -0.573 1.00 0.00 C ATOM 1717 CG TYR B 35 1.603 9.152 -0.658 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.973 7.919 -0.787 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.989 9.175 -0.605 1.00 0.00 C ATOM 1720 CE1 TYR B 35 1.704 6.748 -0.853 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.727 8.011 -0.668 1.00 0.00 C ATOM 1722 CZ TYR B 35 3.081 6.799 -0.796 1.00 0.00 C ATOM 1723 OH TYR B 35 3.814 5.636 -0.856 1.00 0.00 O ATOM 0 H TYR B 35 -0.331 9.302 -3.013 1.00 0.00 H new ATOM 0 HA TYR B 35 -0.124 11.956 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.415 11.201 -0.090 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -0.063 10.272 0.067 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.105 7.876 -0.836 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.500 10.122 -0.513 1.00 0.00 H new ATOM 0 HE1 TYR B 35 1.200 5.798 -0.949 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.805 8.049 -0.617 1.00 0.00 H new ATOM 0 HH TYR B 35 4.769 5.848 -0.804 1.00 0.00 H new ATOM 1733 N VAL B 36 2.320 12.137 -2.611 1.00 0.00 N ATOM 1734 CA VAL B 36 3.519 12.410 -3.389 1.00 0.00 C ATOM 1735 C VAL B 36 4.683 12.655 -2.430 1.00 0.00 C ATOM 1736 O VAL B 36 4.482 13.188 -1.340 1.00 0.00 O ATOM 1737 CB VAL B 36 3.316 13.639 -4.314 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.566 13.943 -5.119 1.00 0.00 C ATOM 1739 CG2 VAL B 36 2.138 13.419 -5.249 1.00 0.00 C ATOM 0 H VAL B 36 2.166 12.795 -1.847 1.00 0.00 H new ATOM 0 HA VAL B 36 3.736 11.551 -4.025 1.00 0.00 H new ATOM 0 HB VAL B 36 3.107 14.496 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL B 36 4.387 14.810 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.393 14.155 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.817 13.083 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL B 36 2.013 14.293 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL B 36 2.323 12.540 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL B 36 1.232 13.266 -4.663 1.00 0.00 H new ATOM 1749 N ILE B 37 5.885 12.248 -2.811 1.00 0.00 N ATOM 1750 CA ILE B 37 7.040 12.373 -1.930 1.00 0.00 C ATOM 1751 C ILE B 37 8.032 13.405 -2.458 1.00 0.00 C ATOM 1752 O ILE B 37 8.437 13.360 -3.622 1.00 0.00 O ATOM 1753 CB ILE B 37 7.738 11.007 -1.729 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.742 9.987 -1.162 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.937 11.148 -0.802 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.352 8.635 -0.855 1.00 0.00 C ATOM 0 H ILE B 37 6.087 11.830 -3.719 1.00 0.00 H new ATOM 0 HA ILE B 37 6.675 12.718 -0.962 1.00 0.00 H new ATOM 0 HB ILE B 37 8.094 10.653 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.303 10.392 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.929 9.854 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.414 10.176 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.651 11.848 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.606 11.520 0.167 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.584 7.971 -0.458 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.766 8.207 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.146 8.753 -0.117 1.00 0.00 H new ATOM 1768 N ASP B 38 8.400 14.345 -1.592 1.00 0.00 N ATOM 1769 CA ASP B 38 9.360 15.389 -1.939 1.00 0.00 C ATOM 1770 C ASP B 38 10.576 15.304 -1.027 1.00 0.00 C ATOM 1771 O ASP B 38 10.597 15.857 0.071 1.00 0.00 O ATOM 1772 CB ASP B 38 8.725 16.784 -1.852 1.00 0.00 C ATOM 1773 CG ASP B 38 9.717 17.914 -2.110 1.00 0.00 C ATOM 1774 OD1 ASP B 38 10.046 18.169 -3.288 1.00 0.00 O ATOM 1775 OD2 ASP B 38 10.151 18.569 -1.132 1.00 0.00 O ATOM 0 H ASP B 38 8.045 14.405 -0.638 1.00 0.00 H new ATOM 0 HA ASP B 38 9.674 15.230 -2.970 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.912 16.851 -2.575 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.285 16.915 -0.863 1.00 0.00 H new ATOM 1780 N GLY B 39 11.549 14.527 -1.462 1.00 0.00 N ATOM 1781 CA GLY B 39 12.825 14.461 -0.773 1.00 0.00 C ATOM 1782 C GLY B 39 12.785 13.533 0.423 1.00 0.00 C ATOM 1783 O GLY B 39 13.314 13.850 1.485 1.00 0.00 O ATOM 0 H GLY B 39 11.481 13.933 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY B 39 13.593 14.122 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY B 39 13.110 15.461 -0.445 1.00 0.00 H new ATOM 1787 N GLY B 40 12.146 12.384 0.252 1.00 0.00 N ATOM 1788 CA GLY B 40 12.031 11.430 1.335 1.00 0.00 C ATOM 1789 C GLY B 40 10.845 11.729 2.229 1.00 0.00 C ATOM 1790 O GLY B 40 10.343 10.849 2.928 1.00 0.00 O ATOM 0 H GLY B 40 11.704 12.095 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY B 40 11.932 10.425 0.924 1.00 0.00 H new ATOM 0 HA3 GLY B 40 12.945 11.443 1.929 1.00 0.00 H new ATOM 1794 N GLU B 41 10.398 12.977 2.203 1.00 0.00 N ATOM 1795 CA GLU B 41 9.253 13.396 2.990 1.00 0.00 C ATOM 1796 C GLU B 41 7.968 13.158 2.213 1.00 0.00 C ATOM 1797 O GLU B 41 7.845 13.555 1.056 1.00 0.00 O ATOM 1798 CB GLU B 41 9.372 14.871 3.373 1.00 0.00 C ATOM 1799 CG GLU B 41 10.619 15.189 4.184 1.00 0.00 C ATOM 1800 CD GLU B 41 10.694 14.397 5.473 1.00 0.00 C ATOM 1801 OE1 GLU B 41 10.097 14.832 6.478 1.00 0.00 O ATOM 1802 OE2 GLU B 41 11.358 13.338 5.488 1.00 0.00 O ATOM 0 H GLU B 41 10.816 13.719 1.641 1.00 0.00 H new ATOM 0 HA GLU B 41 9.228 12.804 3.905 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.375 15.475 2.465 1.00 0.00 H new ATOM 0 HB3 GLU B 41 8.492 15.161 3.946 1.00 0.00 H new ATOM 0 HG2 GLU B 41 11.503 14.980 3.581 1.00 0.00 H new ATOM 0 HG3 GLU B 41 10.636 16.254 4.415 1.00 0.00 H new ATOM 1809 N ILE B 42 7.027 12.497 2.855 1.00 0.00 N ATOM 1810 CA ILE B 42 5.751 12.174 2.241 1.00 0.00 C ATOM 1811 C ILE B 42 4.794 13.351 2.366 1.00 0.00 C ATOM 1812 O ILE B 42 4.792 14.040 3.376 1.00 0.00 O ATOM 1813 CB ILE B 42 5.134 10.930 2.915 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.082 9.739 2.775 1.00 0.00 C ATOM 1815 CG2 ILE B 42 3.776 10.599 2.315 1.00 0.00 C ATOM 1816 CD1 ILE B 42 5.621 8.504 3.509 1.00 0.00 C ATOM 0 H ILE B 42 7.123 12.168 3.816 1.00 0.00 H new ATOM 0 HA ILE B 42 5.919 11.961 1.185 1.00 0.00 H new ATOM 0 HB ILE B 42 4.988 11.149 3.973 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.197 9.500 1.718 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.066 10.025 3.146 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.365 9.718 2.809 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.100 11.443 2.456 1.00 0.00 H new ATOM 0 HG23 ILE B 42 3.888 10.398 1.250 1.00 0.00 H new ATOM 0 HD11 ILE B 42 6.345 7.702 3.363 1.00 0.00 H new ATOM 0 HD12 ILE B 42 5.534 8.724 4.573 1.00 0.00 H new ATOM 0 HD13 ILE B 42 4.651 8.192 3.122 1.00 0.00 H new ATOM 1828 N ILE B 43 4.011 13.609 1.331 1.00 0.00 N ATOM 1829 CA ILE B 43 2.983 14.638 1.397 1.00 0.00 C ATOM 1830 C ILE B 43 1.690 14.117 0.785 1.00 0.00 C ATOM 1831 O ILE B 43 1.690 13.638 -0.350 1.00 0.00 O ATOM 1832 CB ILE B 43 3.380 15.943 0.658 1.00 0.00 C ATOM 1833 CG1 ILE B 43 4.778 16.421 1.058 1.00 0.00 C ATOM 1834 CG2 ILE B 43 2.364 17.038 0.941 1.00 0.00 C ATOM 1835 CD1 ILE B 43 5.885 15.834 0.212 1.00 0.00 C ATOM 0 H ILE B 43 4.066 13.122 0.437 1.00 0.00 H new ATOM 0 HA ILE B 43 2.854 14.876 2.453 1.00 0.00 H new ATOM 0 HB ILE B 43 3.393 15.722 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE B 43 4.815 17.508 0.986 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.955 16.164 2.102 1.00 0.00 H new ATOM 0 HG21 ILE B 43 2.654 17.948 0.416 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.380 16.719 0.597 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.328 17.233 2.013 1.00 0.00 H new ATOM 0 HD11 ILE B 43 6.846 16.218 0.553 1.00 0.00 H new ATOM 0 HD12 ILE B 43 5.875 14.748 0.302 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.733 16.113 -0.831 1.00 0.00 H new ATOM 1847 N LEU B 44 0.597 14.180 1.541 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.716 13.850 0.993 1.00 0.00 C ATOM 1849 C LEU B 44 -1.010 14.716 -0.214 1.00 0.00 C ATOM 1850 O LEU B 44 -0.589 15.871 -0.273 1.00 0.00 O ATOM 1851 CB LEU B 44 -1.821 14.068 2.029 1.00 0.00 C ATOM 1852 CG LEU B 44 -1.786 13.127 3.221 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.851 13.508 4.234 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -1.967 11.685 2.769 1.00 0.00 C ATOM 0 H LEU B 44 0.593 14.453 2.524 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.697 12.798 0.708 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.757 15.093 2.394 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -2.787 13.965 1.534 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.811 13.216 3.700 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -2.810 12.822 5.080 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -2.674 14.526 4.582 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.834 13.450 3.767 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -1.939 11.026 3.636 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.927 11.580 2.264 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -1.164 11.415 2.082 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.751 14.175 -1.167 1.00 0.00 N ATOM 1867 CA ARG B 45 -2.159 14.947 -2.331 1.00 0.00 C ATOM 1868 C ARG B 45 -3.016 16.141 -1.921 1.00 0.00 C ATOM 1869 O ARG B 45 -3.161 17.094 -2.681 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.918 14.066 -3.325 1.00 0.00 C ATOM 1871 CG ARG B 45 -2.042 13.487 -4.428 1.00 0.00 C ATOM 1872 CD ARG B 45 -1.545 14.572 -5.370 1.00 0.00 C ATOM 1873 NE ARG B 45 -2.632 15.420 -5.860 1.00 0.00 N ATOM 1874 CZ ARG B 45 -2.682 15.940 -7.083 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -1.754 15.636 -7.980 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -3.679 16.748 -7.414 1.00 0.00 N ATOM 0 H ARG B 45 -2.081 13.210 -1.159 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.258 15.322 -2.816 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.391 13.247 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.717 14.652 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.191 12.970 -3.985 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.607 12.745 -4.992 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.809 15.189 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.037 14.111 -6.217 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.401 15.626 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -0.996 15.000 -7.734 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -1.798 16.038 -8.916 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.404 16.969 -6.732 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -3.721 17.149 -8.351 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.548 16.108 -0.703 1.00 0.00 N ATOM 1891 CA GLU B 46 -4.413 17.181 -0.233 1.00 0.00 C ATOM 1892 C GLU B 46 -3.609 18.227 0.532 1.00 0.00 C ATOM 1893 O GLU B 46 -4.151 19.227 1.004 1.00 0.00 O ATOM 1894 CB GLU B 46 -5.540 16.616 0.628 1.00 0.00 C ATOM 1895 CG GLU B 46 -6.434 15.653 -0.135 1.00 0.00 C ATOM 1896 CD GLU B 46 -7.586 15.137 0.695 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -8.638 15.811 0.743 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -7.452 14.046 1.287 1.00 0.00 O ATOM 0 H GLU B 46 -3.396 15.357 -0.030 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.859 17.671 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.112 16.103 1.489 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -6.144 17.437 1.014 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -6.826 16.153 -1.020 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.837 14.810 -0.483 1.00 0.00 H new ATOM 1905 N ASN B 47 -2.311 17.994 0.634 1.00 0.00 N ATOM 1906 CA ASN B 47 -1.404 18.943 1.266 1.00 0.00 C ATOM 1907 C ASN B 47 -0.292 19.306 0.282 1.00 0.00 C ATOM 1908 O ASN B 47 0.566 20.146 0.553 1.00 0.00 O ATOM 1909 CB ASN B 47 -0.821 18.323 2.545 1.00 0.00 C ATOM 1910 CG ASN B 47 0.067 19.272 3.332 1.00 0.00 C ATOM 1911 OD1 ASN B 47 -0.117 20.492 3.307 1.00 0.00 O ATOM 1912 ND2 ASN B 47 1.026 18.716 4.057 1.00 0.00 N ATOM 0 H ASN B 47 -1.857 17.150 0.285 1.00 0.00 H new ATOM 0 HA ASN B 47 -1.942 19.851 1.538 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -1.640 17.991 3.184 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -0.245 17.437 2.279 1.00 0.00 H new ATOM 0 HD21 ASN B 47 1.643 19.301 4.620 1.00 0.00 H new ATOM 0 HD22 ASN B 47 1.147 17.703 4.052 1.00 0.00 H new ATOM 1919 N LEU B 48 -0.347 18.683 -0.893 1.00 0.00 N ATOM 1920 CA LEU B 48 0.723 18.792 -1.877 1.00 0.00 C ATOM 1921 C LEU B 48 0.804 20.187 -2.482 1.00 0.00 C ATOM 1922 O LEU B 48 1.890 20.742 -2.603 1.00 0.00 O ATOM 1923 CB LEU B 48 0.534 17.765 -2.994 1.00 0.00 C ATOM 1924 CG LEU B 48 1.675 17.716 -4.012 1.00 0.00 C ATOM 1925 CD1 LEU B 48 2.947 17.190 -3.362 1.00 0.00 C ATOM 1926 CD2 LEU B 48 1.290 16.868 -5.212 1.00 0.00 C ATOM 0 H LEU B 48 -1.127 18.095 -1.186 1.00 0.00 H new ATOM 0 HA LEU B 48 1.657 18.595 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.421 16.777 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.395 17.985 -3.519 1.00 0.00 H new ATOM 0 HG LEU B 48 1.865 18.730 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU B 48 3.748 17.162 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.234 17.846 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU B 48 2.771 16.185 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU B 48 2.116 16.847 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU B 48 1.068 15.853 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.409 17.295 -5.692 1.00 0.00 H new ATOM 1938 N GLU B 49 -0.343 20.745 -2.857 1.00 0.00 N ATOM 1939 CA GLU B 49 -0.389 22.060 -3.497 1.00 0.00 C ATOM 1940 C GLU B 49 0.317 23.104 -2.632 1.00 0.00 C ATOM 1941 O GLU B 49 1.219 23.805 -3.090 1.00 0.00 O ATOM 1942 CB GLU B 49 -1.843 22.474 -3.738 1.00 0.00 C ATOM 1943 CG GLU B 49 -1.998 23.826 -4.417 1.00 0.00 C ATOM 1944 CD GLU B 49 -1.539 23.825 -5.863 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -2.351 23.471 -6.745 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -0.379 24.204 -6.128 1.00 0.00 O ATOM 0 H GLU B 49 -1.256 20.308 -2.729 1.00 0.00 H new ATOM 0 HA GLU B 49 0.128 21.998 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.330 21.714 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.366 22.497 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.044 24.129 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.428 24.571 -3.862 1.00 0.00 H new ATOM 1953 N ARG B 50 -0.093 23.179 -1.374 1.00 0.00 N ATOM 1954 CA ARG B 50 0.496 24.109 -0.421 1.00 0.00 C ATOM 1955 C ARG B 50 1.988 23.835 -0.241 1.00 0.00 C ATOM 1956 O ARG B 50 2.805 24.757 -0.304 1.00 0.00 O ATOM 1957 CB ARG B 50 -0.243 24.003 0.917 1.00 0.00 C ATOM 1958 CG ARG B 50 0.306 24.888 2.030 1.00 0.00 C ATOM 1959 CD ARG B 50 0.284 26.365 1.663 1.00 0.00 C ATOM 1960 NE ARG B 50 1.518 26.787 0.999 1.00 0.00 N ATOM 1961 CZ ARG B 50 2.144 27.934 1.254 1.00 0.00 C ATOM 1962 NH1 ARG B 50 1.626 28.789 2.126 1.00 0.00 N ATOM 1963 NH2 ARG B 50 3.281 28.227 0.633 1.00 0.00 N ATOM 0 H ARG B 50 -0.839 22.601 -0.987 1.00 0.00 H new ATOM 0 HA ARG B 50 0.393 25.124 -0.806 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -1.291 24.256 0.757 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -0.212 22.966 1.250 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -0.280 24.733 2.936 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.329 24.588 2.257 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.565 26.563 1.008 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.137 26.960 2.565 1.00 0.00 H new ATOM 0 HE ARG B 50 1.923 26.165 0.299 1.00 0.00 H new ATOM 0 HH11 ARG B 50 0.750 28.567 2.599 1.00 0.00 H new ATOM 0 HH12 ARG B 50 2.104 29.668 2.323 1.00 0.00 H new ATOM 0 HH21 ARG B 50 3.677 27.572 -0.042 1.00 0.00 H new ATOM 0 HH22 ARG B 50 3.758 29.107 0.831 1.00 0.00 H new ATOM 1977 N TYR B 51 2.337 22.570 -0.045 1.00 0.00 N ATOM 1978 CA TYR B 51 3.724 22.188 0.191 1.00 0.00 C ATOM 1979 C TYR B 51 4.609 22.520 -1.012 1.00 0.00 C ATOM 1980 O TYR B 51 5.736 22.977 -0.848 1.00 0.00 O ATOM 1981 CB TYR B 51 3.821 20.697 0.522 1.00 0.00 C ATOM 1982 CG TYR B 51 5.240 20.219 0.732 1.00 0.00 C ATOM 1983 CD1 TYR B 51 5.904 20.447 1.929 1.00 0.00 C ATOM 1984 CD2 TYR B 51 5.916 19.546 -0.274 1.00 0.00 C ATOM 1985 CE1 TYR B 51 7.203 20.016 2.117 1.00 0.00 C ATOM 1986 CE2 TYR B 51 7.211 19.113 -0.092 1.00 0.00 C ATOM 1987 CZ TYR B 51 7.851 19.351 1.102 1.00 0.00 C ATOM 1988 OH TYR B 51 9.141 18.910 1.284 1.00 0.00 O ATOM 0 H TYR B 51 1.679 21.791 -0.045 1.00 0.00 H new ATOM 0 HA TYR B 51 4.084 22.765 1.043 1.00 0.00 H new ATOM 0 HB2 TYR B 51 3.240 20.494 1.422 1.00 0.00 H new ATOM 0 HB3 TYR B 51 3.368 20.123 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR B 51 5.397 20.970 2.727 1.00 0.00 H new ATOM 0 HD2 TYR B 51 5.420 19.358 -1.215 1.00 0.00 H new ATOM 0 HE1 TYR B 51 7.706 20.200 3.055 1.00 0.00 H new ATOM 0 HE2 TYR B 51 7.723 18.588 -0.885 1.00 0.00 H new ATOM 0 HH TYR B 51 9.501 18.590 0.431 1.00 0.00 H new ATOM 1998 N LEU B 52 4.101 22.298 -2.216 1.00 0.00 N ATOM 1999 CA LEU B 52 4.862 22.593 -3.424 1.00 0.00 C ATOM 2000 C LEU B 52 5.056 24.090 -3.579 1.00 0.00 C ATOM 2001 O LEU B 52 6.166 24.552 -3.804 1.00 0.00 O ATOM 2002 CB LEU B 52 4.176 22.016 -4.662 1.00 0.00 C ATOM 2003 CG LEU B 52 4.249 20.496 -4.787 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.587 20.034 -6.077 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.697 20.032 -4.731 1.00 0.00 C ATOM 0 H LEU B 52 3.170 21.917 -2.383 1.00 0.00 H new ATOM 0 HA LEU B 52 5.840 22.121 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.128 22.315 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.626 22.461 -5.550 1.00 0.00 H new ATOM 0 HG LEU B 52 3.711 20.052 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU B 52 3.649 18.948 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.541 20.339 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU B 52 4.097 20.484 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.735 18.946 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.256 20.484 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.139 20.333 -3.781 1.00 0.00 H new ATOM 2017 N ARG B 53 3.981 24.842 -3.419 1.00 0.00 N ATOM 2018 CA ARG B 53 4.042 26.303 -3.483 1.00 0.00 C ATOM 2019 C ARG B 53 4.991 26.856 -2.421 1.00 0.00 C ATOM 2020 O ARG B 53 5.443 27.997 -2.507 1.00 0.00 O ATOM 2021 CB ARG B 53 2.647 26.903 -3.307 1.00 0.00 C ATOM 2022 CG ARG B 53 1.732 26.651 -4.492 1.00 0.00 C ATOM 2023 CD ARG B 53 0.294 27.036 -4.191 1.00 0.00 C ATOM 2024 NE ARG B 53 0.144 28.451 -3.847 1.00 0.00 N ATOM 2025 CZ ARG B 53 -0.497 29.339 -4.608 1.00 0.00 C ATOM 2026 NH1 ARG B 53 -0.917 29.006 -5.823 1.00 0.00 N ATOM 2027 NH2 ARG B 53 -0.703 30.568 -4.159 1.00 0.00 N ATOM 0 H ARG B 53 3.048 24.469 -3.243 1.00 0.00 H new ATOM 0 HA ARG B 53 4.425 26.583 -4.464 1.00 0.00 H new ATOM 0 HB2 ARG B 53 2.190 26.487 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG B 53 2.738 27.978 -3.149 1.00 0.00 H new ATOM 0 HG2 ARG B 53 2.087 27.219 -5.352 1.00 0.00 H new ATOM 0 HG3 ARG B 53 1.776 25.597 -4.766 1.00 0.00 H new ATOM 0 HD2 ARG B 53 -0.327 26.810 -5.058 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -0.076 26.426 -3.367 1.00 0.00 H new ATOM 0 HE ARG B 53 0.555 28.778 -2.972 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -0.750 28.065 -6.180 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -1.407 29.691 -6.399 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -0.371 30.835 -3.232 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -1.193 31.248 -4.740 1.00 0.00 H new ATOM 2041 N GLU B 54 5.270 26.038 -1.417 1.00 0.00 N ATOM 2042 CA GLU B 54 6.232 26.378 -0.385 1.00 0.00 C ATOM 2043 C GLU B 54 7.644 25.964 -0.828 1.00 0.00 C ATOM 2044 O GLU B 54 8.563 26.786 -0.871 1.00 0.00 O ATOM 2045 CB GLU B 54 5.843 25.669 0.922 1.00 0.00 C ATOM 2046 CG GLU B 54 6.254 26.401 2.194 1.00 0.00 C ATOM 2047 CD GLU B 54 7.753 26.532 2.348 1.00 0.00 C ATOM 2048 OE1 GLU B 54 8.403 25.542 2.739 1.00 0.00 O ATOM 2049 OE2 GLU B 54 8.281 27.630 2.091 1.00 0.00 O ATOM 0 H GLU B 54 4.836 25.123 -1.297 1.00 0.00 H new ATOM 0 HA GLU B 54 6.229 27.455 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU B 54 4.762 25.528 0.934 1.00 0.00 H new ATOM 0 HB3 GLU B 54 6.294 24.677 0.929 1.00 0.00 H new ATOM 0 HG2 GLU B 54 5.807 27.395 2.194 1.00 0.00 H new ATOM 0 HG3 GLU B 54 5.852 25.871 3.057 1.00 0.00 H new ATOM 2056 N GLN B 55 7.798 24.693 -1.195 1.00 0.00 N ATOM 2057 CA GLN B 55 9.109 24.127 -1.487 1.00 0.00 C ATOM 2058 C GLN B 55 9.478 24.242 -2.971 1.00 0.00 C ATOM 2059 O GLN B 55 10.363 25.026 -3.324 1.00 0.00 O ATOM 2060 CB GLN B 55 9.115 22.652 -1.050 1.00 0.00 C ATOM 2061 CG GLN B 55 10.358 21.861 -1.444 1.00 0.00 C ATOM 2062 CD GLN B 55 11.621 22.307 -0.725 1.00 0.00 C ATOM 2063 OE1 GLN B 55 11.788 23.480 -0.390 1.00 0.00 O ATOM 2064 NE2 GLN B 55 12.519 21.365 -0.481 1.00 0.00 N ATOM 0 H GLN B 55 7.026 24.035 -1.297 1.00 0.00 H new ATOM 0 HA GLN B 55 9.858 24.694 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN B 55 9.007 22.611 0.034 1.00 0.00 H new ATOM 0 HB3 GLN B 55 8.241 22.160 -1.477 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.186 20.805 -1.236 1.00 0.00 H new ATOM 0 HG3 GLN B 55 10.511 21.954 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN B 55 12.343 20.404 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN B 55 13.387 21.600 0.001 1.00 0.00 H new ATOM 2073 N LEU B 56 8.759 23.509 -3.834 1.00 0.00 N ATOM 2074 CA LEU B 56 9.124 23.373 -5.261 1.00 0.00 C ATOM 2075 C LEU B 56 10.639 23.240 -5.458 1.00 0.00 C ATOM 2076 O LEU B 56 11.183 23.713 -6.457 1.00 0.00 O ATOM 2077 CB LEU B 56 8.607 24.568 -6.072 1.00 0.00 C ATOM 2078 CG LEU B 56 7.138 24.493 -6.498 1.00 0.00 C ATOM 2079 CD1 LEU B 56 6.740 25.744 -7.266 1.00 0.00 C ATOM 2080 CD2 LEU B 56 6.888 23.248 -7.338 1.00 0.00 C ATOM 0 H LEU B 56 7.917 22.997 -3.571 1.00 0.00 H new ATOM 0 HA LEU B 56 8.653 22.458 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.750 25.473 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU B 56 9.221 24.670 -6.967 1.00 0.00 H new ATOM 0 HG LEU B 56 6.523 24.431 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU B 56 5.693 25.672 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.880 26.620 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU B 56 7.362 25.837 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU B 56 5.839 23.212 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU B 56 7.513 23.279 -8.230 1.00 0.00 H new ATOM 0 HD23 LEU B 56 7.132 22.360 -6.755 1.00 0.00 H new ATOM 2092 N GLY B 57 11.313 22.576 -4.522 1.00 0.00 N ATOM 2093 CA GLY B 57 12.763 22.560 -4.537 1.00 0.00 C ATOM 2094 C GLY B 57 13.368 21.176 -4.649 1.00 0.00 C ATOM 2095 O GLY B 57 14.594 21.050 -4.685 1.00 0.00 O ATOM 0 H GLY B 57 10.883 22.053 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY B 57 13.113 23.166 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY B 57 13.130 23.032 -3.625 1.00 0.00 H new ATOM 2099 N PHE B 58 12.519 20.141 -4.699 1.00 0.00 N ATOM 2100 CA PHE B 58 12.975 18.746 -4.820 1.00 0.00 C ATOM 2101 C PHE B 58 13.931 18.419 -3.670 1.00 0.00 C ATOM 2102 O PHE B 58 13.892 19.070 -2.621 1.00 0.00 O ATOM 2103 CB PHE B 58 13.680 18.501 -6.172 1.00 0.00 C ATOM 2104 CG PHE B 58 13.298 19.460 -7.270 1.00 0.00 C ATOM 2105 CD1 PHE B 58 11.972 19.655 -7.627 1.00 0.00 C ATOM 2106 CD2 PHE B 58 14.277 20.175 -7.943 1.00 0.00 C ATOM 2107 CE1 PHE B 58 11.635 20.544 -8.631 1.00 0.00 C ATOM 2108 CE2 PHE B 58 13.944 21.061 -8.948 1.00 0.00 C ATOM 2109 CZ PHE B 58 12.622 21.247 -9.292 1.00 0.00 C ATOM 0 H PHE B 58 11.505 20.243 -4.657 1.00 0.00 H new ATOM 0 HA PHE B 58 12.102 18.095 -4.772 1.00 0.00 H new ATOM 0 HB2 PHE B 58 14.758 18.558 -6.019 1.00 0.00 H new ATOM 0 HB3 PHE B 58 13.458 17.486 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.195 19.107 -7.115 1.00 0.00 H new ATOM 0 HD2 PHE B 58 15.315 20.037 -7.677 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.599 20.688 -8.898 1.00 0.00 H new ATOM 0 HE2 PHE B 58 14.719 21.608 -9.464 1.00 0.00 H new ATOM 0 HZ PHE B 58 12.359 21.941 -10.077 1.00 0.00 H new ATOM 2119 N GLU B 59 14.785 17.416 -3.842 1.00 0.00 N ATOM 2120 CA GLU B 59 15.860 17.206 -2.894 1.00 0.00 C ATOM 2121 C GLU B 59 17.203 17.409 -3.587 1.00 0.00 C ATOM 2122 O GLU B 59 17.679 16.543 -4.318 1.00 0.00 O ATOM 2123 CB GLU B 59 15.765 15.810 -2.270 1.00 0.00 C ATOM 2124 CG GLU B 59 16.865 15.505 -1.266 1.00 0.00 C ATOM 2125 CD GLU B 59 16.934 16.517 -0.144 1.00 0.00 C ATOM 2126 OE1 GLU B 59 17.527 17.596 -0.351 1.00 0.00 O ATOM 2127 OE2 GLU B 59 16.420 16.233 0.953 1.00 0.00 O ATOM 0 H GLU B 59 14.752 16.751 -4.614 1.00 0.00 H new ATOM 0 HA GLU B 59 15.772 17.934 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU B 59 14.798 15.709 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU B 59 15.796 15.065 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU B 59 16.701 14.513 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU B 59 17.824 15.477 -1.783 1.00 0.00 H new ATOM 2134 N PHE B 60 17.802 18.566 -3.360 1.00 0.00 N ATOM 2135 CA PHE B 60 19.102 18.883 -3.924 1.00 0.00 C ATOM 2136 C PHE B 60 20.203 18.355 -3.027 1.00 0.00 C ATOM 2137 O PHE B 60 20.283 18.707 -1.848 1.00 0.00 O ATOM 2138 CB PHE B 60 19.262 20.392 -4.115 1.00 0.00 C ATOM 2139 CG PHE B 60 18.993 20.859 -5.517 1.00 0.00 C ATOM 2140 CD1 PHE B 60 17.698 21.053 -5.966 1.00 0.00 C ATOM 2141 CD2 PHE B 60 20.044 21.101 -6.387 1.00 0.00 C ATOM 2142 CE1 PHE B 60 17.456 21.485 -7.258 1.00 0.00 C ATOM 2143 CE2 PHE B 60 19.810 21.534 -7.677 1.00 0.00 C ATOM 2144 CZ PHE B 60 18.513 21.723 -8.115 1.00 0.00 C ATOM 0 H PHE B 60 17.404 19.307 -2.783 1.00 0.00 H new ATOM 0 HA PHE B 60 19.175 18.404 -4.900 1.00 0.00 H new ATOM 0 HB2 PHE B 60 18.585 20.908 -3.434 1.00 0.00 H new ATOM 0 HB3 PHE B 60 20.276 20.678 -3.835 1.00 0.00 H new ATOM 0 HD1 PHE B 60 16.868 20.865 -5.301 1.00 0.00 H new ATOM 0 HD2 PHE B 60 21.059 20.949 -6.052 1.00 0.00 H new ATOM 0 HE1 PHE B 60 16.442 21.636 -7.596 1.00 0.00 H new ATOM 0 HE2 PHE B 60 20.639 21.725 -8.342 1.00 0.00 H new ATOM 0 HZ PHE B 60 18.326 22.056 -9.125 1.00 0.00 H new ATOM 2154 N LYS B 61 21.042 17.501 -3.584 1.00 0.00 N ATOM 2155 CA LYS B 61 22.119 16.901 -2.823 1.00 0.00 C ATOM 2156 C LYS B 61 23.414 16.905 -3.621 1.00 0.00 C ATOM 2157 O LYS B 61 23.908 15.861 -4.040 1.00 0.00 O ATOM 2158 CB LYS B 61 21.739 15.483 -2.399 1.00 0.00 C ATOM 2159 CG LYS B 61 20.715 15.445 -1.280 1.00 0.00 C ATOM 2160 CD LYS B 61 21.351 15.788 0.057 1.00 0.00 C ATOM 2161 CE LYS B 61 20.311 16.165 1.096 1.00 0.00 C ATOM 2162 NZ LYS B 61 19.822 17.558 0.911 1.00 0.00 N ATOM 0 H LYS B 61 20.997 17.208 -4.560 1.00 0.00 H new ATOM 0 HA LYS B 61 22.283 17.496 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS B 61 21.344 14.947 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.637 14.954 -2.079 1.00 0.00 H new ATOM 0 HG2 LYS B 61 19.911 16.149 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS B 61 20.265 14.454 -1.228 1.00 0.00 H new ATOM 0 HD2 LYS B 61 21.929 14.935 0.414 1.00 0.00 H new ATOM 0 HD3 LYS B 61 22.050 16.614 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS B 61 19.470 15.474 1.035 1.00 0.00 H new ATOM 0 HE3 LYS B 61 20.739 16.060 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 20.115 18.139 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 20.225 17.954 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 18.784 17.555 0.843 1.00 0.00 H new ATOM 2176 N ASN B 62 23.944 18.096 -3.839 1.00 0.00 N ATOM 2177 CA ASN B 62 25.220 18.258 -4.517 1.00 0.00 C ATOM 2178 C ASN B 62 26.351 17.796 -3.615 1.00 0.00 C ATOM 2179 O ASN B 62 26.126 17.442 -2.455 1.00 0.00 O ATOM 2180 CB ASN B 62 25.445 19.723 -4.905 1.00 0.00 C ATOM 2181 CG ASN B 62 24.787 20.100 -6.218 1.00 0.00 C ATOM 2182 OD1 ASN B 62 23.630 20.518 -6.260 1.00 0.00 O ATOM 2183 ND2 ASN B 62 25.532 19.971 -7.304 1.00 0.00 N ATOM 0 H ASN B 62 23.507 18.972 -3.554 1.00 0.00 H new ATOM 0 HA ASN B 62 25.204 17.651 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN B 62 25.058 20.365 -4.114 1.00 0.00 H new ATOM 0 HB3 ASN B 62 26.516 19.914 -4.975 1.00 0.00 H new ATOM 0 HD21 ASN B 62 25.151 20.222 -8.216 1.00 0.00 H new ATOM 0 HD22 ASN B 62 26.487 19.621 -7.229 1.00 0.00 H new ATOM 2190 N ALA B 63 27.570 17.824 -4.132 1.00 0.00 N ATOM 2191 CA ALA B 63 28.734 17.447 -3.345 1.00 0.00 C ATOM 2192 C ALA B 63 29.081 18.544 -2.346 1.00 0.00 C ATOM 2193 O ALA B 63 29.966 18.376 -1.503 1.00 0.00 O ATOM 2194 CB ALA B 63 29.917 17.165 -4.257 1.00 0.00 C ATOM 0 H ALA B 63 27.779 18.103 -5.091 1.00 0.00 H new ATOM 0 HA ALA B 63 28.498 16.539 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA B 63 30.781 16.884 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA B 63 29.667 16.350 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA B 63 30.152 18.059 -4.835 1.00 0.00 H new ATOM 2200 N GLN B 64 28.363 19.668 -2.452 1.00 0.00 N ATOM 2201 CA GLN B 64 28.596 20.834 -1.605 1.00 0.00 C ATOM 2202 C GLN B 64 30.048 21.272 -1.727 1.00 0.00 C ATOM 2203 O GLN B 64 30.710 21.589 -0.735 1.00 0.00 O ATOM 2204 CB GLN B 64 28.230 20.527 -0.149 1.00 0.00 C ATOM 2205 CG GLN B 64 26.771 20.131 0.048 1.00 0.00 C ATOM 2206 CD GLN B 64 25.804 21.240 -0.316 1.00 0.00 C ATOM 2207 OE1 GLN B 64 25.365 21.353 -1.461 1.00 0.00 O ATOM 2208 NE2 GLN B 64 25.454 22.060 0.659 1.00 0.00 N ATOM 0 H GLN B 64 27.608 19.791 -3.126 1.00 0.00 H new ATOM 0 HA GLN B 64 27.957 21.652 -1.938 1.00 0.00 H new ATOM 0 HB2 GLN B 64 28.868 19.721 0.214 1.00 0.00 H new ATOM 0 HB3 GLN B 64 28.445 21.403 0.462 1.00 0.00 H new ATOM 0 HG2 GLN B 64 26.553 19.252 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN B 64 26.614 19.846 1.088 1.00 0.00 H new ATOM 0 HE21 GLN B 64 25.840 21.934 1.595 1.00 0.00 H new ATOM 0 HE22 GLN B 64 24.798 22.819 0.476 1.00 0.00 H new ATOM 2217 N LEU B 65 30.527 21.274 -2.966 1.00 0.00 N ATOM 2218 CA LEU B 65 31.909 21.602 -3.279 1.00 0.00 C ATOM 2219 C LEU B 65 32.282 22.992 -2.789 1.00 0.00 C ATOM 2220 O LEU B 65 31.560 23.964 -3.030 1.00 0.00 O ATOM 2221 CB LEU B 65 32.130 21.523 -4.791 1.00 0.00 C ATOM 2222 CG LEU B 65 31.956 20.133 -5.405 1.00 0.00 C ATOM 2223 CD1 LEU B 65 31.971 20.218 -6.925 1.00 0.00 C ATOM 2224 CD2 LEU B 65 33.053 19.202 -4.914 1.00 0.00 C ATOM 0 H LEU B 65 29.963 21.047 -3.785 1.00 0.00 H new ATOM 0 HA LEU B 65 32.545 20.879 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU B 65 31.436 22.207 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU B 65 33.137 21.877 -5.014 1.00 0.00 H new ATOM 0 HG LEU B 65 30.992 19.731 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU B 65 31.846 19.221 -7.346 1.00 0.00 H new ATOM 0 HD12 LEU B 65 31.156 20.859 -7.262 1.00 0.00 H new ATOM 0 HD13 LEU B 65 32.922 20.636 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU B 65 32.919 18.216 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU B 65 34.025 19.601 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU B 65 33.003 19.121 -3.828 1.00 0.00 H new