USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 756 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 SER OG : rot 28:sc= 0.553 USER MOD Set 1.2: A 96 HIS : no HE2:sc= 0.599 K(o=1.2,f=-2.6) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.64 K(o=-0.72,f=-1.5) USER MOD Set 2.2: A 77 ASN :FLIP amide:sc= -0.0787 F(o=-1.9!,f=-0.72) USER MOD Set 3.1: A 42 SER OG : rot 105:sc= 0.207 USER MOD Set 3.2: A 44 GLN :FLIP amide:sc= 0.165 F(o=-0.18,f=0.37) USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0011) USER MOD Single : A 33 ASN : amide:sc=-0.00174 K(o=-0.0017,f=-1.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00776 USER MOD Single : A 37 CYS SG : rot -73:sc= 0.513 USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0492) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 170:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.129) USER MOD Single : A 51 ASN : amide:sc= -1.82! C(o=-1.8!,f=-11!) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.233 F(o=-2,f=-0.23) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= -0.0288 (180deg=-0.257) USER MOD Single : A 60 HIS : no HD1:sc= -2.74 X(o=-2.7,f=-3!) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -0.0142 (180deg=-0.184) USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.111 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.799 F(o=-1.5!,f=-0.8) USER MOD Single : A 97 SER OG : rot -110:sc= 1.26 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= -2.12! USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0.00397 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 341 N ALA A 24 -11.216 -17.168 2.720 1.00 0.00 N ATOM 342 CA ALA A 24 -9.844 -16.762 2.998 1.00 0.00 C ATOM 343 C ALA A 24 -9.751 -15.257 3.224 1.00 0.00 C ATOM 344 O ALA A 24 -10.256 -14.468 2.425 1.00 0.00 O ATOM 345 CB ALA A 24 -8.928 -17.185 1.860 1.00 0.00 C ATOM 0 HA ALA A 24 -9.522 -17.260 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.907 -16.875 2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.963 -18.269 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.257 -16.714 0.934 1.00 0.00 H new ATOM 351 N ILE A 25 -9.105 -14.866 4.317 1.00 0.00 N ATOM 352 CA ILE A 25 -8.946 -13.455 4.647 1.00 0.00 C ATOM 353 C ILE A 25 -7.512 -13.146 5.061 1.00 0.00 C ATOM 354 O ILE A 25 -6.783 -14.025 5.523 1.00 0.00 O ATOM 355 CB ILE A 25 -9.899 -13.032 5.780 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.266 -13.695 5.601 1.00 0.00 C ATOM 357 CG2 ILE A 25 -10.040 -11.517 5.815 1.00 0.00 C ATOM 358 CD1 ILE A 25 -11.910 -13.402 4.264 1.00 0.00 C ATOM 0 H ILE A 25 -8.683 -15.507 4.989 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.191 -12.890 3.748 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.478 -13.361 6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.155 -14.774 5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.931 -13.359 6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.717 -11.233 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.063 -11.064 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.441 -11.167 4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.876 -13.904 4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.053 -12.327 4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.266 -13.764 3.463 1.00 0.00 H new ATOM 370 N LEU A 26 -7.112 -11.890 4.896 1.00 0.00 N ATOM 371 CA LEU A 26 -5.764 -11.462 5.255 1.00 0.00 C ATOM 372 C LEU A 26 -5.806 -10.257 6.190 1.00 0.00 C ATOM 373 O LEU A 26 -6.878 -9.741 6.506 1.00 0.00 O ATOM 374 CB LEU A 26 -4.965 -11.117 3.997 1.00 0.00 C ATOM 375 CG LEU A 26 -4.221 -12.278 3.335 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.125 -12.800 4.251 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.190 -13.394 2.970 1.00 0.00 C ATOM 0 H LEU A 26 -7.702 -11.150 4.516 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.275 -12.286 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.647 -10.684 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.239 -10.345 4.252 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.758 -11.912 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.606 -13.626 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.416 -12.000 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.567 -13.149 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.643 -14.211 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.682 -13.758 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.939 -13.013 2.276 1.00 0.00 H new ATOM 389 N ASP A 27 -4.633 -9.814 6.627 1.00 0.00 N ATOM 390 CA ASP A 27 -4.535 -8.668 7.524 1.00 0.00 C ATOM 391 C ASP A 27 -3.718 -7.548 6.887 1.00 0.00 C ATOM 392 O ASP A 27 -2.497 -7.646 6.767 1.00 0.00 O ATOM 393 CB ASP A 27 -3.902 -9.085 8.852 1.00 0.00 C ATOM 394 CG ASP A 27 -3.543 -7.896 9.721 1.00 0.00 C ATOM 395 OD1 ASP A 27 -2.536 -7.222 9.418 1.00 0.00 O ATOM 396 OD2 ASP A 27 -4.269 -7.639 10.705 1.00 0.00 O ATOM 0 H ASP A 27 -3.737 -10.230 6.375 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.543 -8.298 7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.593 -9.731 9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.005 -9.671 8.655 1.00 0.00 H new ATOM 401 N PHE A 28 -4.401 -6.484 6.478 1.00 0.00 N ATOM 402 CA PHE A 28 -3.739 -5.345 5.850 1.00 0.00 C ATOM 403 C PHE A 28 -4.218 -4.033 6.463 1.00 0.00 C ATOM 404 O PHE A 28 -5.391 -3.866 6.799 1.00 0.00 O ATOM 405 CB PHE A 28 -4.001 -5.344 4.343 1.00 0.00 C ATOM 406 CG PHE A 28 -3.225 -6.392 3.598 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.750 -7.661 3.414 1.00 0.00 C ATOM 408 CD2 PHE A 28 -1.970 -6.108 3.083 1.00 0.00 C ATOM 409 CE1 PHE A 28 -3.037 -8.628 2.730 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.253 -7.071 2.398 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.788 -8.332 2.220 1.00 0.00 C ATOM 0 H PHE A 28 -5.412 -6.386 6.570 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.667 -5.437 6.025 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.066 -5.499 4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.751 -4.363 3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.727 -7.897 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.548 -5.123 3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.456 -9.614 2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.276 -6.838 2.002 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.231 -9.085 1.683 1.00 0.00 H new ATOM 421 N PRO A 29 -3.290 -3.076 6.612 1.00 0.00 N ATOM 422 CA PRO A 29 -3.593 -1.761 7.185 1.00 0.00 C ATOM 423 C PRO A 29 -4.459 -0.912 6.260 1.00 0.00 C ATOM 424 O PRO A 29 -4.515 -1.151 5.054 1.00 0.00 O ATOM 425 CB PRO A 29 -2.212 -1.123 7.358 1.00 0.00 C ATOM 426 CG PRO A 29 -1.353 -1.799 6.346 1.00 0.00 C ATOM 427 CD PRO A 29 -1.873 -3.205 6.233 1.00 0.00 C ATOM 0 HA PRO A 29 -4.160 -1.841 8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.249 -0.047 7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.829 -1.275 8.367 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.404 -1.286 5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.308 -1.793 6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.762 -3.595 5.221 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.340 -3.885 6.897 1.00 0.00 H new ATOM 435 N ASP A 30 -5.132 0.079 6.834 1.00 0.00 N ATOM 436 CA ASP A 30 -5.995 0.965 6.060 1.00 0.00 C ATOM 437 C ASP A 30 -5.259 1.514 4.842 1.00 0.00 C ATOM 438 O ASP A 30 -5.798 1.539 3.736 1.00 0.00 O ATOM 439 CB ASP A 30 -6.492 2.118 6.934 1.00 0.00 C ATOM 440 CG ASP A 30 -7.711 1.740 7.753 1.00 0.00 C ATOM 441 OD1 ASP A 30 -7.902 0.533 8.010 1.00 0.00 O ATOM 442 OD2 ASP A 30 -8.474 2.652 8.136 1.00 0.00 O ATOM 0 H ASP A 30 -5.097 0.289 7.831 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.851 0.386 5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.692 2.434 7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.734 2.972 6.301 1.00 0.00 H new ATOM 447 N LYS A 31 -4.023 1.954 5.054 1.00 0.00 N ATOM 448 CA LYS A 31 -3.211 2.503 3.974 1.00 0.00 C ATOM 449 C LYS A 31 -1.728 2.448 4.327 1.00 0.00 C ATOM 450 O LYS A 31 -1.360 2.146 5.463 1.00 0.00 O ATOM 451 CB LYS A 31 -3.623 3.947 3.681 1.00 0.00 C ATOM 452 CG LYS A 31 -3.347 4.903 4.829 1.00 0.00 C ATOM 453 CD LYS A 31 -3.872 6.298 4.532 1.00 0.00 C ATOM 454 CE LYS A 31 -2.992 7.369 5.158 1.00 0.00 C ATOM 455 NZ LYS A 31 -3.025 7.314 6.646 1.00 0.00 N ATOM 0 H LYS A 31 -3.562 1.941 5.964 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.378 1.897 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.093 4.295 2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.687 3.972 3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.812 4.524 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.274 4.949 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.919 6.448 3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.889 6.394 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.966 7.243 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.323 8.352 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.426 8.070 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.003 7.442 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.669 6.391 6.967 1.00 0.00 H new ATOM 469 N LEU A 32 -0.880 2.743 3.347 1.00 0.00 N ATOM 470 CA LEU A 32 0.564 2.729 3.555 1.00 0.00 C ATOM 471 C LEU A 32 1.102 4.145 3.731 1.00 0.00 C ATOM 472 O LEU A 32 1.112 4.937 2.791 1.00 0.00 O ATOM 473 CB LEU A 32 1.262 2.048 2.376 1.00 0.00 C ATOM 474 CG LEU A 32 2.616 1.406 2.678 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.518 2.383 3.415 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.433 0.131 3.488 1.00 0.00 C ATOM 0 H LEU A 32 -1.167 2.995 2.401 1.00 0.00 H new ATOM 0 HA LEU A 32 0.770 2.166 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.598 1.279 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.400 2.786 1.586 1.00 0.00 H new ATOM 0 HG LEU A 32 3.092 1.147 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.477 1.908 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.676 3.268 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.048 2.674 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.407 -0.312 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.935 0.366 4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.825 -0.575 2.922 1.00 0.00 H new ATOM 488 N ASN A 33 1.552 4.455 4.943 1.00 0.00 N ATOM 489 CA ASN A 33 2.094 5.775 5.242 1.00 0.00 C ATOM 490 C ASN A 33 3.608 5.797 5.054 1.00 0.00 C ATOM 491 O ASN A 33 4.343 5.111 5.764 1.00 0.00 O ATOM 492 CB ASN A 33 1.742 6.181 6.675 1.00 0.00 C ATOM 493 CG ASN A 33 1.994 7.653 6.937 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.190 8.436 6.007 1.00 0.00 O ATOM 495 ND2 ASN A 33 1.990 8.037 8.208 1.00 0.00 N ATOM 0 H ASN A 33 1.552 3.810 5.733 1.00 0.00 H new ATOM 0 HA ASN A 33 1.649 6.488 4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.693 5.955 6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.329 5.585 7.373 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.154 9.015 8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.823 7.354 8.947 1.00 0.00 H new ATOM 502 N PHE A 34 4.067 6.590 4.091 1.00 0.00 N ATOM 503 CA PHE A 34 5.494 6.702 3.808 1.00 0.00 C ATOM 504 C PHE A 34 6.052 8.018 4.341 1.00 0.00 C ATOM 505 O PHE A 34 5.783 9.087 3.793 1.00 0.00 O ATOM 506 CB PHE A 34 5.746 6.600 2.303 1.00 0.00 C ATOM 507 CG PHE A 34 5.993 5.196 1.830 1.00 0.00 C ATOM 508 CD1 PHE A 34 7.250 4.623 1.947 1.00 0.00 C ATOM 509 CD2 PHE A 34 4.970 4.449 1.269 1.00 0.00 C ATOM 510 CE1 PHE A 34 7.480 3.332 1.512 1.00 0.00 C ATOM 511 CE2 PHE A 34 5.195 3.157 0.833 1.00 0.00 C ATOM 512 CZ PHE A 34 6.451 2.597 0.955 1.00 0.00 C ATOM 0 H PHE A 34 3.472 7.164 3.494 1.00 0.00 H new ATOM 0 HA PHE A 34 6.005 5.881 4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.887 7.008 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.605 7.219 2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.058 5.192 2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.985 4.881 1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.464 2.897 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.389 2.586 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.629 1.587 0.616 1.00 0.00 H new ATOM 522 N SER A 35 6.832 7.932 5.414 1.00 0.00 N ATOM 523 CA SER A 35 7.426 9.115 6.025 1.00 0.00 C ATOM 524 C SER A 35 8.177 9.943 4.986 1.00 0.00 C ATOM 525 O SER A 35 8.250 9.574 3.814 1.00 0.00 O ATOM 526 CB SER A 35 8.375 8.711 7.155 1.00 0.00 C ATOM 527 OG SER A 35 9.526 8.060 6.646 1.00 0.00 O ATOM 0 H SER A 35 7.067 7.055 5.878 1.00 0.00 H new ATOM 0 HA SER A 35 6.621 9.723 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.673 9.596 7.718 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.857 8.050 7.850 1.00 0.00 H new ATOM 0 HG SER A 35 10.117 7.814 7.388 1.00 0.00 H new ATOM 533 N THR A 36 8.736 11.067 5.426 1.00 0.00 N ATOM 534 CA THR A 36 9.481 11.949 4.537 1.00 0.00 C ATOM 535 C THR A 36 10.547 11.179 3.766 1.00 0.00 C ATOM 536 O THR A 36 11.413 10.536 4.360 1.00 0.00 O ATOM 537 CB THR A 36 10.153 13.095 5.316 1.00 0.00 C ATOM 538 OG1 THR A 36 9.249 13.618 6.295 1.00 0.00 O ATOM 539 CG2 THR A 36 10.588 14.207 4.374 1.00 0.00 C ATOM 0 H THR A 36 8.686 11.387 6.393 1.00 0.00 H new ATOM 0 HA THR A 36 8.762 12.371 3.835 1.00 0.00 H new ATOM 0 HB THR A 36 11.037 12.697 5.815 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.685 14.345 6.787 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.060 15.005 4.947 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.299 13.812 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.717 14.602 3.851 1.00 0.00 H new ATOM 547 N CYS A 37 10.479 11.250 2.441 1.00 0.00 N ATOM 548 CA CYS A 37 11.440 10.559 1.588 1.00 0.00 C ATOM 549 C CYS A 37 11.742 11.376 0.337 1.00 0.00 C ATOM 550 O CYS A 37 10.967 12.241 -0.072 1.00 0.00 O ATOM 551 CB CYS A 37 10.906 9.181 1.195 1.00 0.00 C ATOM 552 SG CYS A 37 9.151 9.166 0.758 1.00 0.00 S ATOM 0 H CYS A 37 9.769 11.779 1.934 1.00 0.00 H new ATOM 0 HA CYS A 37 12.365 10.435 2.151 1.00 0.00 H new ATOM 0 HB2 CYS A 37 11.483 8.807 0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.069 8.490 2.022 1.00 0.00 H new ATOM 0 HG CYS A 37 8.435 9.295 1.835 1.00 0.00 H new ATOM 558 N PRO A 38 12.897 11.099 -0.286 1.00 0.00 N ATOM 559 CA PRO A 38 13.330 11.799 -1.500 1.00 0.00 C ATOM 560 C PRO A 38 12.477 11.439 -2.712 1.00 0.00 C ATOM 561 O PRO A 38 11.951 10.330 -2.806 1.00 0.00 O ATOM 562 CB PRO A 38 14.768 11.314 -1.696 1.00 0.00 C ATOM 563 CG PRO A 38 14.816 9.987 -1.020 1.00 0.00 C ATOM 564 CD PRO A 38 13.870 10.082 0.145 1.00 0.00 C ATOM 0 HA PRO A 38 13.240 12.881 -1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.016 11.229 -2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.483 12.009 -1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.517 9.191 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.827 9.756 -0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.388 9.126 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.386 10.381 1.058 1.00 0.00 H new ATOM 572 N VAL A 39 12.343 12.384 -3.637 1.00 0.00 N ATOM 573 CA VAL A 39 11.554 12.166 -4.844 1.00 0.00 C ATOM 574 C VAL A 39 12.313 11.304 -5.847 1.00 0.00 C ATOM 575 O VAL A 39 11.829 10.255 -6.272 1.00 0.00 O ATOM 576 CB VAL A 39 11.173 13.499 -5.514 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.398 14.386 -5.675 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.506 13.248 -6.858 1.00 0.00 C ATOM 0 H VAL A 39 12.771 13.308 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 39 10.644 11.649 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 39 10.461 14.018 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.109 15.323 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.828 14.594 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.136 13.878 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.243 14.201 -7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.193 12.708 -7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.603 12.655 -6.711 1.00 0.00 H new ATOM 588 N LYS A 40 13.505 11.754 -6.223 1.00 0.00 N ATOM 589 CA LYS A 40 14.333 11.024 -7.175 1.00 0.00 C ATOM 590 C LYS A 40 14.713 9.652 -6.627 1.00 0.00 C ATOM 591 O LYS A 40 14.445 8.627 -7.254 1.00 0.00 O ATOM 592 CB LYS A 40 15.598 11.823 -7.500 1.00 0.00 C ATOM 593 CG LYS A 40 15.509 12.599 -8.803 1.00 0.00 C ATOM 594 CD LYS A 40 14.636 13.834 -8.657 1.00 0.00 C ATOM 595 CE LYS A 40 15.262 14.852 -7.716 1.00 0.00 C ATOM 596 NZ LYS A 40 14.553 16.160 -7.762 1.00 0.00 N ATOM 0 H LYS A 40 13.919 12.622 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 40 13.754 10.883 -8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.797 12.519 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.446 11.140 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.509 12.894 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.103 11.956 -9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.481 14.289 -9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.655 13.545 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.243 14.464 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.309 14.997 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.909 16.775 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.721 16.614 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.533 16.006 -7.633 1.00 0.00 H new ATOM 610 N TYR A 41 15.336 9.641 -5.454 1.00 0.00 N ATOM 611 CA TYR A 41 15.753 8.395 -4.822 1.00 0.00 C ATOM 612 C TYR A 41 14.559 7.471 -4.600 1.00 0.00 C ATOM 613 O TYR A 41 13.448 7.927 -4.333 1.00 0.00 O ATOM 614 CB TYR A 41 16.446 8.681 -3.489 1.00 0.00 C ATOM 615 CG TYR A 41 17.912 9.025 -3.630 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.868 8.027 -3.777 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.341 10.346 -3.614 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.208 8.336 -3.905 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.679 10.664 -3.744 1.00 0.00 C ATOM 620 CZ TYR A 41 20.609 9.655 -3.888 1.00 0.00 C ATOM 621 OH TYR A 41 21.943 9.968 -4.016 1.00 0.00 O ATOM 0 H TYR A 41 15.563 10.481 -4.922 1.00 0.00 H new ATOM 0 HA TYR A 41 16.456 7.897 -5.489 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.934 9.505 -2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.347 7.809 -2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.558 6.993 -3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.616 11.138 -3.498 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.938 7.548 -4.018 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.995 11.697 -3.733 1.00 0.00 H new ATOM 0 HH TYR A 41 22.055 10.941 -3.985 1.00 0.00 H new ATOM 631 N SER A 42 14.799 6.168 -4.711 1.00 0.00 N ATOM 632 CA SER A 42 13.744 5.178 -4.525 1.00 0.00 C ATOM 633 C SER A 42 13.544 4.869 -3.045 1.00 0.00 C ATOM 634 O SER A 42 14.453 5.046 -2.232 1.00 0.00 O ATOM 635 CB SER A 42 14.082 3.894 -5.285 1.00 0.00 C ATOM 636 OG SER A 42 15.228 3.265 -4.739 1.00 0.00 O ATOM 0 H SER A 42 15.714 5.774 -4.929 1.00 0.00 H new ATOM 0 HA SER A 42 12.816 5.592 -4.920 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.234 3.210 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.256 4.125 -6.336 1.00 0.00 H new ATOM 0 HG SER A 42 14.955 2.478 -4.223 1.00 0.00 H new ATOM 642 N THR A 43 12.346 4.406 -2.700 1.00 0.00 N ATOM 643 CA THR A 43 12.024 4.073 -1.319 1.00 0.00 C ATOM 644 C THR A 43 11.575 2.622 -1.193 1.00 0.00 C ATOM 645 O THR A 43 10.729 2.157 -1.956 1.00 0.00 O ATOM 646 CB THR A 43 10.919 4.990 -0.763 1.00 0.00 C ATOM 647 OG1 THR A 43 11.437 6.308 -0.549 1.00 0.00 O ATOM 648 CG2 THR A 43 10.365 4.440 0.543 1.00 0.00 C ATOM 0 H THR A 43 11.583 4.253 -3.359 1.00 0.00 H new ATOM 0 HA THR A 43 12.935 4.220 -0.738 1.00 0.00 H new ATOM 0 HB THR A 43 10.111 5.032 -1.494 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.699 6.921 -0.351 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.586 5.105 0.916 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.945 3.449 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.167 4.372 1.278 1.00 0.00 H new ATOM 656 N GLN A 44 12.147 1.912 -0.226 1.00 0.00 N ATOM 657 CA GLN A 44 11.804 0.512 -0.001 1.00 0.00 C ATOM 658 C GLN A 44 11.167 0.321 1.371 1.00 0.00 C ATOM 659 O GLN A 44 11.589 0.931 2.354 1.00 0.00 O ATOM 660 CB GLN A 44 13.050 -0.366 -0.125 1.00 0.00 C ATOM 661 CG GLN A 44 13.403 -0.723 -1.560 1.00 0.00 C ATOM 662 CD GLN A 44 14.288 0.316 -2.219 1.00 0.00 C ATOM 663 OE1 GLN A 44 13.786 0.934 -3.282 1.00 0.00 O flip ATOM 664 NE2 GLN A 44 15.411 0.561 -1.779 1.00 0.00 N flip ATOM 0 H GLN A 44 12.850 2.282 0.414 1.00 0.00 H new ATOM 0 HA GLN A 44 11.081 0.214 -0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.895 0.151 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.895 -1.284 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.909 -1.688 -1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.486 -0.834 -2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.758 0.062 -0.959 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.995 1.263 -2.234 1.00 0.00 H new ATOM 673 N LYS A 45 10.148 -0.529 1.432 1.00 0.00 N ATOM 674 CA LYS A 45 9.452 -0.803 2.684 1.00 0.00 C ATOM 675 C LYS A 45 8.849 -2.204 2.676 1.00 0.00 C ATOM 676 O LYS A 45 8.590 -2.772 1.615 1.00 0.00 O ATOM 677 CB LYS A 45 8.353 0.236 2.917 1.00 0.00 C ATOM 678 CG LYS A 45 8.272 0.724 4.353 1.00 0.00 C ATOM 679 CD LYS A 45 7.805 2.168 4.426 1.00 0.00 C ATOM 680 CE LYS A 45 7.062 2.449 5.723 1.00 0.00 C ATOM 681 NZ LYS A 45 7.858 2.049 6.916 1.00 0.00 N ATOM 0 H LYS A 45 9.785 -1.041 0.628 1.00 0.00 H new ATOM 0 HA LYS A 45 10.178 -0.744 3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.526 1.089 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.392 -0.194 2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.586 0.090 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.250 0.633 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.664 2.834 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.154 2.384 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.826 3.511 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.114 1.911 5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.397 2.407 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.918 1.012 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.816 2.448 6.844 1.00 0.00 H new ATOM 695 N ILE A 46 8.627 -2.753 3.865 1.00 0.00 N ATOM 696 CA ILE A 46 8.052 -4.086 3.995 1.00 0.00 C ATOM 697 C ILE A 46 6.782 -4.058 4.838 1.00 0.00 C ATOM 698 O ILE A 46 6.685 -3.307 5.810 1.00 0.00 O ATOM 699 CB ILE A 46 9.052 -5.072 4.627 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.277 -5.239 3.724 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.385 -6.416 4.878 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.389 -6.045 4.358 1.00 0.00 C ATOM 0 H ILE A 46 8.837 -2.295 4.752 1.00 0.00 H new ATOM 0 HA ILE A 46 7.809 -4.423 2.987 1.00 0.00 H new ATOM 0 HB ILE A 46 9.382 -4.668 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.971 -5.723 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.659 -4.254 3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.105 -7.102 5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.542 -6.283 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.030 -6.828 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.224 -6.123 3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.722 -5.551 5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.023 -7.043 4.599 1.00 0.00 H new ATOM 714 N LEU A 47 5.810 -4.881 4.461 1.00 0.00 N ATOM 715 CA LEU A 47 4.544 -4.952 5.184 1.00 0.00 C ATOM 716 C LEU A 47 4.260 -6.379 5.644 1.00 0.00 C ATOM 717 O LEU A 47 4.058 -7.278 4.826 1.00 0.00 O ATOM 718 CB LEU A 47 3.401 -4.452 4.300 1.00 0.00 C ATOM 719 CG LEU A 47 2.011 -5.002 4.624 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.501 -4.424 5.935 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.040 -4.699 3.492 1.00 0.00 C ATOM 0 H LEU A 47 5.874 -5.508 3.659 1.00 0.00 H new ATOM 0 HA LEU A 47 4.620 -4.314 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.364 -3.365 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.635 -4.699 3.264 1.00 0.00 H new ATOM 0 HG LEU A 47 2.085 -6.084 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.511 -4.826 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.184 -4.692 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.442 -3.339 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.056 -5.098 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.970 -3.620 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.398 -5.162 2.572 1.00 0.00 H new ATOM 733 N LEU A 48 4.243 -6.578 6.957 1.00 0.00 N ATOM 734 CA LEU A 48 3.980 -7.895 7.527 1.00 0.00 C ATOM 735 C LEU A 48 2.500 -8.249 7.421 1.00 0.00 C ATOM 736 O LEU A 48 1.637 -7.497 7.875 1.00 0.00 O ATOM 737 CB LEU A 48 4.423 -7.937 8.991 1.00 0.00 C ATOM 738 CG LEU A 48 4.900 -9.294 9.509 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.776 -10.316 9.444 1.00 0.00 C ATOM 740 CD2 LEU A 48 6.107 -9.774 8.715 1.00 0.00 C ATOM 0 H LEU A 48 4.408 -5.845 7.647 1.00 0.00 H new ATOM 0 HA LEU A 48 4.552 -8.630 6.960 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.228 -7.215 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.590 -7.606 9.611 1.00 0.00 H new ATOM 0 HG LEU A 48 5.198 -9.179 10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.135 -11.275 9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.941 -9.978 10.057 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.446 -10.428 8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.433 -10.741 9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.835 -9.872 7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.918 -9.053 8.814 1.00 0.00 H new ATOM 752 N VAL A 49 2.213 -9.400 6.821 1.00 0.00 N ATOM 753 CA VAL A 49 0.838 -9.856 6.659 1.00 0.00 C ATOM 754 C VAL A 49 0.586 -11.135 7.449 1.00 0.00 C ATOM 755 O VAL A 49 1.493 -11.944 7.645 1.00 0.00 O ATOM 756 CB VAL A 49 0.501 -10.106 5.177 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.991 -10.343 5.001 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.968 -8.939 4.320 1.00 0.00 C ATOM 0 H VAL A 49 2.915 -10.034 6.439 1.00 0.00 H new ATOM 0 HA VAL A 49 0.195 -9.064 7.042 1.00 0.00 H new ATOM 0 HB VAL A 49 1.028 -11.002 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.210 -10.518 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.292 -11.214 5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.542 -9.468 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.722 -9.133 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.471 -8.026 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.047 -8.821 4.422 1.00 0.00 H new ATOM 768 N ARG A 50 -0.652 -11.311 7.901 1.00 0.00 N ATOM 769 CA ARG A 50 -1.023 -12.491 8.671 1.00 0.00 C ATOM 770 C ARG A 50 -2.374 -13.036 8.214 1.00 0.00 C ATOM 771 O ARG A 50 -3.359 -12.302 8.145 1.00 0.00 O ATOM 772 CB ARG A 50 -1.074 -12.158 10.163 1.00 0.00 C ATOM 773 CG ARG A 50 -1.320 -13.368 11.049 1.00 0.00 C ATOM 774 CD ARG A 50 -1.598 -12.959 12.487 1.00 0.00 C ATOM 775 NE ARG A 50 -0.367 -12.744 13.243 1.00 0.00 N ATOM 776 CZ ARG A 50 -0.343 -12.378 14.520 1.00 0.00 C ATOM 777 NH1 ARG A 50 -1.477 -12.188 15.179 1.00 0.00 N ATOM 778 NH2 ARG A 50 0.817 -12.203 15.139 1.00 0.00 N ATOM 0 H ARG A 50 -1.414 -10.651 7.747 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.266 -13.256 8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.134 -11.690 10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.862 -11.425 10.336 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.165 -13.938 10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.451 -14.025 11.018 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.193 -12.046 12.495 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.193 -13.731 12.975 1.00 0.00 H new ATOM 0 HE ARG A 50 0.523 -12.882 12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.371 -12.323 14.706 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.456 -11.907 16.159 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.691 -12.349 14.635 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.835 -11.922 16.119 1.00 0.00 H new ATOM 792 N ASN A 51 -2.410 -14.327 7.902 1.00 0.00 N ATOM 793 CA ASN A 51 -3.639 -14.969 7.450 1.00 0.00 C ATOM 794 C ASN A 51 -4.595 -15.196 8.617 1.00 0.00 C ATOM 795 O ASN A 51 -4.380 -16.081 9.446 1.00 0.00 O ATOM 796 CB ASN A 51 -3.322 -16.303 6.770 1.00 0.00 C ATOM 797 CG ASN A 51 -4.572 -17.031 6.314 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.672 -16.762 6.797 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.408 -17.960 5.380 1.00 0.00 N ATOM 0 H ASN A 51 -1.603 -14.949 7.954 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.122 -14.307 6.731 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.675 -16.125 5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.767 -16.937 7.461 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.212 -18.484 5.035 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.478 -18.150 5.008 1.00 0.00 H new ATOM 806 N ILE A 52 -5.651 -14.391 8.675 1.00 0.00 N ATOM 807 CA ILE A 52 -6.641 -14.505 9.739 1.00 0.00 C ATOM 808 C ILE A 52 -7.801 -15.399 9.317 1.00 0.00 C ATOM 809 O ILE A 52 -8.608 -15.820 10.145 1.00 0.00 O ATOM 810 CB ILE A 52 -7.192 -13.125 10.145 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.758 -12.398 8.924 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.103 -12.294 10.806 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.413 -11.076 9.258 1.00 0.00 C ATOM 0 H ILE A 52 -5.843 -13.653 7.998 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.135 -14.951 10.595 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.999 -13.269 10.864 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.954 -12.225 8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.488 -13.042 8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.507 -11.322 11.087 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.743 -12.809 11.697 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.277 -12.155 10.108 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.791 -10.616 8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.239 -11.244 9.949 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.681 -10.414 9.721 1.00 0.00 H new ATOM 825 N GLY A 53 -7.878 -15.688 8.021 1.00 0.00 N ATOM 826 CA GLY A 53 -8.943 -16.533 7.512 1.00 0.00 C ATOM 827 C GLY A 53 -8.965 -17.898 8.170 1.00 0.00 C ATOM 828 O GLY A 53 -8.301 -18.118 9.181 1.00 0.00 O ATOM 0 H GLY A 53 -7.223 -15.352 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.902 -16.040 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.823 -16.654 6.435 1.00 0.00 H new ATOM 832 N ASN A 54 -9.733 -18.818 7.595 1.00 0.00 N ATOM 833 CA ASN A 54 -9.841 -20.169 8.134 1.00 0.00 C ATOM 834 C ASN A 54 -9.024 -21.153 7.302 1.00 0.00 C ATOM 835 O ASN A 54 -8.509 -22.144 7.821 1.00 0.00 O ATOM 836 CB ASN A 54 -11.306 -20.609 8.172 1.00 0.00 C ATOM 837 CG ASN A 54 -12.104 -20.065 7.003 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.945 -20.684 5.839 1.00 0.00 O flip ATOM 839 ND2 ASN A 54 -12.855 -19.100 7.145 1.00 0.00 N flip ATOM 0 H ASN A 54 -10.289 -18.653 6.756 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.444 -20.162 9.149 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.356 -21.698 8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.759 -20.274 9.105 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.946 -18.655 8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.386 -18.746 6.349 1.00 0.00 H new ATOM 846 N LYS A 55 -8.908 -20.873 6.009 1.00 0.00 N ATOM 847 CA LYS A 55 -8.152 -21.731 5.104 1.00 0.00 C ATOM 848 C LYS A 55 -7.104 -20.928 4.341 1.00 0.00 C ATOM 849 O LYS A 55 -7.008 -19.711 4.495 1.00 0.00 O ATOM 850 CB LYS A 55 -9.095 -22.425 4.119 1.00 0.00 C ATOM 851 CG LYS A 55 -9.565 -23.792 4.587 1.00 0.00 C ATOM 852 CD LYS A 55 -10.581 -23.679 5.711 1.00 0.00 C ATOM 853 CE LYS A 55 -10.796 -25.015 6.406 1.00 0.00 C ATOM 854 NZ LYS A 55 -9.600 -25.430 7.190 1.00 0.00 N ATOM 0 H LYS A 55 -9.328 -20.057 5.563 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.641 -22.486 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.964 -21.789 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.589 -22.533 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.007 -24.332 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.709 -24.375 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.241 -22.941 6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.529 -23.319 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.659 -24.945 7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.026 -25.778 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.869 -26.173 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.872 -25.797 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.223 -24.611 7.708 1.00 0.00 H new ATOM 868 N ASN A 56 -6.323 -21.617 3.516 1.00 0.00 N ATOM 869 CA ASN A 56 -5.282 -20.966 2.727 1.00 0.00 C ATOM 870 C ASN A 56 -5.851 -19.787 1.943 1.00 0.00 C ATOM 871 O ASN A 56 -6.869 -19.914 1.263 1.00 0.00 O ATOM 872 CB ASN A 56 -4.640 -21.969 1.766 1.00 0.00 C ATOM 873 CG ASN A 56 -3.187 -21.642 1.476 1.00 0.00 C ATOM 874 OD1 ASN A 56 -2.279 -22.208 2.084 1.00 0.00 O ATOM 875 ND2 ASN A 56 -2.963 -20.724 0.543 1.00 0.00 N ATOM 0 H ASN A 56 -6.390 -22.625 3.376 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.522 -20.591 3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.706 -22.970 2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.200 -21.982 0.831 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.006 -20.462 0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.747 -20.281 0.065 1.00 0.00 H new ATOM 882 N ALA A 57 -5.186 -18.641 2.044 1.00 0.00 N ATOM 883 CA ALA A 57 -5.623 -17.440 1.343 1.00 0.00 C ATOM 884 C ALA A 57 -4.726 -17.147 0.144 1.00 0.00 C ATOM 885 O ALA A 57 -3.501 -17.200 0.245 1.00 0.00 O ATOM 886 CB ALA A 57 -5.642 -16.252 2.293 1.00 0.00 C ATOM 0 H ALA A 57 -4.343 -18.519 2.605 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.634 -17.612 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.970 -15.362 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.329 -16.454 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.640 -16.087 2.690 1.00 0.00 H new ATOM 892 N VAL A 58 -5.346 -16.839 -0.991 1.00 0.00 N ATOM 893 CA VAL A 58 -4.604 -16.537 -2.209 1.00 0.00 C ATOM 894 C VAL A 58 -4.893 -15.120 -2.691 1.00 0.00 C ATOM 895 O VAL A 58 -5.978 -14.834 -3.196 1.00 0.00 O ATOM 896 CB VAL A 58 -4.946 -17.530 -3.335 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.222 -17.153 -4.618 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.598 -18.951 -2.915 1.00 0.00 C ATOM 0 H VAL A 58 -6.360 -16.792 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.545 -16.626 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.018 -17.483 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.476 -17.866 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.525 -16.152 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.146 -17.170 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.846 -19.640 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.532 -19.015 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.167 -19.217 -2.024 1.00 0.00 H new ATOM 908 N PHE A 59 -3.913 -14.236 -2.533 1.00 0.00 N ATOM 909 CA PHE A 59 -4.062 -12.847 -2.952 1.00 0.00 C ATOM 910 C PHE A 59 -3.080 -12.508 -4.070 1.00 0.00 C ATOM 911 O PHE A 59 -1.947 -12.989 -4.083 1.00 0.00 O ATOM 912 CB PHE A 59 -3.845 -11.907 -1.764 1.00 0.00 C ATOM 913 CG PHE A 59 -2.544 -12.137 -1.049 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.451 -13.081 -0.040 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.415 -11.407 -1.385 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.256 -13.295 0.621 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.217 -11.617 -0.728 1.00 0.00 C ATOM 918 CZ PHE A 59 -0.138 -12.561 0.276 1.00 0.00 C ATOM 0 H PHE A 59 -3.008 -14.457 -2.118 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.076 -12.714 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.880 -10.876 -2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.666 -12.031 -1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.323 -13.657 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.472 -10.666 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.197 -14.035 1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.656 -11.043 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.797 -12.725 0.791 1.00 0.00 H new ATOM 928 N HIS A 60 -3.523 -11.676 -5.007 1.00 0.00 N ATOM 929 CA HIS A 60 -2.684 -11.272 -6.129 1.00 0.00 C ATOM 930 C HIS A 60 -2.693 -9.755 -6.296 1.00 0.00 C ATOM 931 O HIS A 60 -3.648 -9.185 -6.826 1.00 0.00 O ATOM 932 CB HIS A 60 -3.162 -11.941 -7.418 1.00 0.00 C ATOM 933 CG HIS A 60 -2.275 -11.675 -8.595 1.00 0.00 C ATOM 934 ND1 HIS A 60 -1.845 -12.666 -9.453 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.739 -10.522 -9.057 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.081 -12.134 -10.390 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.001 -10.834 -10.173 1.00 0.00 N ATOM 0 H HIS A 60 -4.458 -11.269 -5.011 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.663 -11.591 -5.920 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.226 -13.017 -7.257 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.169 -11.593 -7.646 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.867 -9.539 -8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.603 -12.671 -11.196 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.476 -10.169 -10.742 1.00 0.00 H new ATOM 946 N ILE A 61 -1.626 -9.108 -5.840 1.00 0.00 N ATOM 947 CA ILE A 61 -1.512 -7.658 -5.940 1.00 0.00 C ATOM 948 C ILE A 61 -0.857 -7.247 -7.254 1.00 0.00 C ATOM 949 O ILE A 61 -0.009 -7.962 -7.789 1.00 0.00 O ATOM 950 CB ILE A 61 -0.698 -7.076 -4.769 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.242 -7.590 -3.435 1.00 0.00 C ATOM 952 CG2 ILE A 61 -0.727 -5.555 -4.809 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.271 -7.434 -2.286 1.00 0.00 C ATOM 0 H ILE A 61 -0.828 -9.565 -5.398 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.525 -7.258 -5.902 1.00 0.00 H new ATOM 0 HB ILE A 61 0.337 -7.403 -4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.162 -7.056 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.502 -8.643 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.148 -5.158 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.297 -5.207 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.758 -5.209 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.724 -7.819 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.641 -7.991 -2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.029 -6.379 -2.154 1.00 0.00 H new ATOM 965 N LYS A 62 -1.255 -6.089 -7.770 1.00 0.00 N ATOM 966 CA LYS A 62 -0.705 -5.579 -9.021 1.00 0.00 C ATOM 967 C LYS A 62 -0.806 -4.058 -9.079 1.00 0.00 C ATOM 968 O LYS A 62 -1.835 -3.479 -8.729 1.00 0.00 O ATOM 969 CB LYS A 62 -1.439 -6.196 -10.213 1.00 0.00 C ATOM 970 CG LYS A 62 -0.556 -6.399 -11.432 1.00 0.00 C ATOM 971 CD LYS A 62 0.594 -7.347 -11.135 1.00 0.00 C ATOM 972 CE LYS A 62 1.302 -7.781 -12.409 1.00 0.00 C ATOM 973 NZ LYS A 62 0.455 -8.688 -13.233 1.00 0.00 N ATOM 0 H LYS A 62 -1.957 -5.486 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 62 0.348 -5.857 -9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.857 -7.157 -9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.277 -5.554 -10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.153 -6.796 -12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.161 -5.438 -11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.306 -6.859 -10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.217 -8.225 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.568 -6.901 -12.995 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.233 -8.287 -12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.048 -9.173 -13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.001 -9.393 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.276 -8.132 -13.721 1.00 0.00 H new ATOM 987 N THR A 63 0.268 -3.415 -9.525 1.00 0.00 N ATOM 988 CA THR A 63 0.300 -1.961 -9.630 1.00 0.00 C ATOM 989 C THR A 63 1.308 -1.508 -10.680 1.00 0.00 C ATOM 990 O THR A 63 2.031 -2.324 -11.253 1.00 0.00 O ATOM 991 CB THR A 63 0.653 -1.308 -8.280 1.00 0.00 C ATOM 992 OG1 THR A 63 0.492 0.112 -8.366 1.00 0.00 O ATOM 993 CG2 THR A 63 2.082 -1.638 -7.877 1.00 0.00 C ATOM 0 H THR A 63 1.128 -3.878 -9.820 1.00 0.00 H new ATOM 0 HA THR A 63 -0.699 -1.643 -9.929 1.00 0.00 H new ATOM 0 HB THR A 63 -0.022 -1.704 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.560 0.504 -7.470 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.309 -1.166 -6.921 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.194 -2.718 -7.784 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.769 -1.266 -8.637 1.00 0.00 H new ATOM 1001 N CYS A 64 1.352 -0.203 -10.926 1.00 0.00 N ATOM 1002 CA CYS A 64 2.273 0.359 -11.908 1.00 0.00 C ATOM 1003 C CYS A 64 3.034 1.544 -11.324 1.00 0.00 C ATOM 1004 O CYS A 64 2.542 2.230 -10.427 1.00 0.00 O ATOM 1005 CB CYS A 64 1.512 0.794 -13.161 1.00 0.00 C ATOM 1006 SG CYS A 64 0.570 -0.532 -13.951 1.00 0.00 S ATOM 0 H CYS A 64 0.761 0.485 -10.459 1.00 0.00 H new ATOM 0 HA CYS A 64 2.992 -0.414 -12.178 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.830 1.602 -12.896 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.222 1.200 -13.882 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.040 -0.065 -15.000 1.00 0.00 H new ATOM 1012 N ARG A 65 4.238 1.778 -11.836 1.00 0.00 N ATOM 1013 CA ARG A 65 5.069 2.878 -11.362 1.00 0.00 C ATOM 1014 C ARG A 65 4.298 4.194 -11.393 1.00 0.00 C ATOM 1015 O ARG A 65 3.306 4.344 -12.107 1.00 0.00 O ATOM 1016 CB ARG A 65 6.333 2.995 -12.216 1.00 0.00 C ATOM 1017 CG ARG A 65 7.456 2.073 -11.772 1.00 0.00 C ATOM 1018 CD ARG A 65 8.772 2.433 -12.444 1.00 0.00 C ATOM 1019 NE ARG A 65 9.893 1.674 -11.896 1.00 0.00 N ATOM 1020 CZ ARG A 65 11.057 1.529 -12.519 1.00 0.00 C ATOM 1021 NH1 ARG A 65 11.252 2.088 -13.705 1.00 0.00 N ATOM 1022 NH2 ARG A 65 12.029 0.823 -11.955 1.00 0.00 N ATOM 0 H ARG A 65 4.660 1.221 -12.579 1.00 0.00 H new ATOM 0 HA ARG A 65 5.353 2.667 -10.331 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.082 2.774 -13.253 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.687 4.025 -12.186 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.571 2.133 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.196 1.041 -12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.696 2.244 -13.515 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.962 3.499 -12.321 1.00 0.00 H new ATOM 0 HE ARG A 65 9.776 1.231 -10.985 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.507 2.631 -14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.147 1.975 -14.181 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.882 0.391 -11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.923 0.712 -12.434 1.00 0.00 H new ATOM 1036 N PRO A 66 4.762 5.171 -10.600 1.00 0.00 N ATOM 1037 CA PRO A 66 5.942 5.004 -9.746 1.00 0.00 C ATOM 1038 C PRO A 66 5.686 4.050 -8.584 1.00 0.00 C ATOM 1039 O PRO A 66 6.569 3.806 -7.762 1.00 0.00 O ATOM 1040 CB PRO A 66 6.207 6.419 -9.226 1.00 0.00 C ATOM 1041 CG PRO A 66 4.883 7.100 -9.288 1.00 0.00 C ATOM 1042 CD PRO A 66 4.171 6.514 -10.476 1.00 0.00 C ATOM 0 HA PRO A 66 6.781 4.571 -10.291 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.595 6.400 -8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.946 6.934 -9.839 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.316 6.934 -8.372 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.003 8.178 -9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.094 6.466 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.333 7.109 -11.375 1.00 0.00 H new ATOM 1050 N PHE A 67 4.472 3.511 -8.524 1.00 0.00 N ATOM 1051 CA PHE A 67 4.100 2.583 -7.462 1.00 0.00 C ATOM 1052 C PHE A 67 4.292 1.137 -7.912 1.00 0.00 C ATOM 1053 O PHE A 67 3.705 0.701 -8.902 1.00 0.00 O ATOM 1054 CB PHE A 67 2.646 2.810 -7.044 1.00 0.00 C ATOM 1055 CG PHE A 67 2.491 3.808 -5.932 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.202 3.666 -4.752 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.633 4.888 -6.068 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.062 4.583 -3.727 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.489 5.808 -5.046 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.204 5.655 -3.874 1.00 0.00 C ATOM 0 H PHE A 67 3.730 3.701 -9.198 1.00 0.00 H new ATOM 0 HA PHE A 67 4.750 2.769 -6.607 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.077 3.150 -7.909 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.213 1.860 -6.731 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.874 2.829 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.071 5.012 -6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.623 4.461 -2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.818 6.646 -5.164 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.092 6.372 -3.074 1.00 0.00 H new ATOM 1070 N SER A 68 5.118 0.400 -7.176 1.00 0.00 N ATOM 1071 CA SER A 68 5.392 -0.995 -7.501 1.00 0.00 C ATOM 1072 C SER A 68 5.675 -1.801 -6.237 1.00 0.00 C ATOM 1073 O SER A 68 6.195 -1.273 -5.254 1.00 0.00 O ATOM 1074 CB SER A 68 6.580 -1.094 -8.459 1.00 0.00 C ATOM 1075 OG SER A 68 6.357 -0.328 -9.630 1.00 0.00 O ATOM 0 H SER A 68 5.609 0.745 -6.351 1.00 0.00 H new ATOM 0 HA SER A 68 4.508 -1.410 -7.986 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.484 -0.745 -7.959 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.747 -2.137 -8.729 1.00 0.00 H new ATOM 0 HG SER A 68 7.132 -0.407 -10.225 1.00 0.00 H new ATOM 1081 N ILE A 69 5.328 -3.084 -6.271 1.00 0.00 N ATOM 1082 CA ILE A 69 5.545 -3.964 -5.129 1.00 0.00 C ATOM 1083 C ILE A 69 5.941 -5.365 -5.583 1.00 0.00 C ATOM 1084 O ILE A 69 5.679 -5.756 -6.720 1.00 0.00 O ATOM 1085 CB ILE A 69 4.288 -4.059 -4.245 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.415 -5.235 -4.686 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.501 -2.758 -4.301 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.912 -5.114 -6.108 1.00 0.00 C ATOM 0 H ILE A 69 4.896 -3.537 -7.076 1.00 0.00 H new ATOM 0 HA ILE A 69 6.357 -3.530 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 69 4.599 -4.229 -3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.987 -6.158 -4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.562 -5.316 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.615 -2.841 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.125 -1.939 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.198 -2.560 -5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.300 -5.982 -6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.313 -4.209 -6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.760 -5.064 -6.791 1.00 0.00 H new ATOM 1100 N GLU A 70 6.572 -6.115 -4.685 1.00 0.00 N ATOM 1101 CA GLU A 70 7.003 -7.474 -4.993 1.00 0.00 C ATOM 1102 C GLU A 70 7.185 -8.289 -3.717 1.00 0.00 C ATOM 1103 O GLU A 70 7.685 -7.800 -2.704 1.00 0.00 O ATOM 1104 CB GLU A 70 8.310 -7.450 -5.788 1.00 0.00 C ATOM 1105 CG GLU A 70 9.231 -8.618 -5.479 1.00 0.00 C ATOM 1106 CD GLU A 70 10.184 -8.927 -6.618 1.00 0.00 C ATOM 1107 OE1 GLU A 70 10.838 -7.987 -7.116 1.00 0.00 O ATOM 1108 OE2 GLU A 70 10.275 -10.109 -7.011 1.00 0.00 O ATOM 0 H GLU A 70 6.796 -5.805 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 70 6.228 -7.946 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.078 -7.453 -6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.836 -6.518 -5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.806 -8.395 -4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.631 -9.502 -5.263 1.00 0.00 H new ATOM 1115 N PRO A 71 6.770 -9.564 -3.765 1.00 0.00 N ATOM 1116 CA PRO A 71 6.173 -10.157 -4.965 1.00 0.00 C ATOM 1117 C PRO A 71 4.788 -9.591 -5.264 1.00 0.00 C ATOM 1118 O PRO A 71 4.130 -9.038 -4.383 1.00 0.00 O ATOM 1119 CB PRO A 71 6.079 -11.644 -4.617 1.00 0.00 C ATOM 1120 CG PRO A 71 6.019 -11.682 -3.129 1.00 0.00 C ATOM 1121 CD PRO A 71 6.851 -10.524 -2.651 1.00 0.00 C ATOM 0 HA PRO A 71 6.763 -9.951 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.193 -12.099 -5.061 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.942 -12.194 -4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.991 -11.595 -2.778 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.408 -12.626 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.458 -10.101 -1.727 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.880 -10.823 -2.452 1.00 0.00 H new ATOM 1129 N ALA A 72 4.352 -9.735 -6.511 1.00 0.00 N ATOM 1130 CA ALA A 72 3.044 -9.240 -6.924 1.00 0.00 C ATOM 1131 C ALA A 72 1.933 -10.179 -6.468 1.00 0.00 C ATOM 1132 O ALA A 72 0.758 -9.810 -6.464 1.00 0.00 O ATOM 1133 CB ALA A 72 3.001 -9.063 -8.435 1.00 0.00 C ATOM 0 H ALA A 72 4.885 -10.190 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 72 2.883 -8.272 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.019 -8.693 -8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.765 -8.348 -8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.188 -10.022 -8.919 1.00 0.00 H new ATOM 1139 N ILE A 73 2.311 -11.394 -6.084 1.00 0.00 N ATOM 1140 CA ILE A 73 1.346 -12.385 -5.626 1.00 0.00 C ATOM 1141 C ILE A 73 2.005 -13.412 -4.711 1.00 0.00 C ATOM 1142 O ILE A 73 3.169 -13.765 -4.894 1.00 0.00 O ATOM 1143 CB ILE A 73 0.685 -13.117 -6.809 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.051 -14.365 -6.318 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.729 -13.487 -7.852 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -0.942 -14.993 -7.367 1.00 0.00 C ATOM 0 H ILE A 73 3.279 -11.715 -6.081 1.00 0.00 H new ATOM 0 HA ILE A 73 0.579 -11.845 -5.070 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.041 -12.448 -7.271 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.681 -15.102 -5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.655 -14.103 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.247 -14.004 -8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.213 -12.582 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.476 -14.141 -7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.432 -15.873 -6.949 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.697 -14.273 -7.682 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.340 -15.287 -8.227 1.00 0.00 H new ATOM 1158 N GLY A 74 1.250 -13.890 -3.726 1.00 0.00 N ATOM 1159 CA GLY A 74 1.777 -14.874 -2.799 1.00 0.00 C ATOM 1160 C GLY A 74 0.683 -15.622 -2.063 1.00 0.00 C ATOM 1161 O GLY A 74 -0.502 -15.335 -2.238 1.00 0.00 O ATOM 0 H GLY A 74 0.283 -13.613 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.397 -15.586 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.423 -14.377 -2.075 1.00 0.00 H new ATOM 1165 N THR A 75 1.078 -16.586 -1.237 1.00 0.00 N ATOM 1166 CA THR A 75 0.123 -17.379 -0.475 1.00 0.00 C ATOM 1167 C THR A 75 0.529 -17.469 0.992 1.00 0.00 C ATOM 1168 O THR A 75 1.696 -17.701 1.310 1.00 0.00 O ATOM 1169 CB THR A 75 -0.009 -18.803 -1.047 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.283 -19.412 -1.148 1.00 0.00 O ATOM 1171 CG2 THR A 75 -0.671 -18.776 -2.417 1.00 0.00 C ATOM 0 H THR A 75 2.054 -16.836 -1.079 1.00 0.00 H new ATOM 0 HA THR A 75 -0.840 -16.874 -0.553 1.00 0.00 H new ATOM 0 HB THR A 75 -0.633 -19.387 -0.370 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.190 -20.318 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.754 -19.793 -2.801 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.666 -18.338 -2.332 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.069 -18.178 -3.100 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.440 -17.284 1.882 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.183 -17.345 3.316 1.00 0.00 C ATOM 1181 C LEU A 76 -1.094 -18.366 3.990 1.00 0.00 C ATOM 1182 O LEU A 76 -2.203 -18.625 3.525 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.385 -15.967 3.950 1.00 0.00 C ATOM 1184 CG LEU A 76 0.348 -15.721 5.268 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.852 -15.828 5.071 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.021 -14.358 5.837 1.00 0.00 C ATOM 0 H LEU A 76 -1.411 -17.091 1.635 1.00 0.00 H new ATOM 0 HA LEU A 76 0.851 -17.657 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.067 -15.210 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.452 -15.819 4.118 1.00 0.00 H new ATOM 0 HG LEU A 76 0.040 -16.486 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.357 -15.650 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.101 -16.825 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.177 -15.086 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.510 -14.200 6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.258 -13.580 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.095 -14.317 6.017 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.618 -18.941 5.089 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.391 -19.933 5.828 1.00 0.00 C ATOM 1200 C ASN A 77 -1.931 -19.344 7.128 1.00 0.00 C ATOM 1201 O ASN A 77 -1.288 -18.501 7.754 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.529 -21.160 6.131 1.00 0.00 C ATOM 1203 CG ASN A 77 0.454 -21.465 5.017 1.00 0.00 C ATOM 1204 OD1 ASN A 77 1.703 -21.728 5.386 1.00 0.00 O flip ATOM 1205 ND2 ASN A 77 0.095 -21.463 3.840 1.00 0.00 N flip ATOM 0 H ASN A 77 0.299 -18.738 5.488 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.235 -20.234 5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.018 -20.996 7.060 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.174 -22.024 6.289 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.875 -21.255 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.768 -21.669 3.101 1.00 0.00 H new ATOM 1212 N VAL A 78 -3.115 -19.795 7.529 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.741 -19.314 8.755 1.00 0.00 C ATOM 1214 C VAL A 78 -2.790 -19.432 9.940 1.00 0.00 C ATOM 1215 O VAL A 78 -2.247 -20.503 10.210 1.00 0.00 O ATOM 1216 CB VAL A 78 -5.033 -20.092 9.068 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.629 -19.629 10.388 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -6.037 -19.935 7.936 1.00 0.00 C ATOM 0 H VAL A 78 -3.660 -20.493 7.023 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.988 -18.265 8.594 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.786 -21.150 9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.541 -20.190 10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.911 -19.799 11.191 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.862 -18.566 10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.944 -20.491 8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.281 -18.880 7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.607 -20.321 7.012 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.593 -18.323 10.647 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.707 -18.323 11.796 1.00 0.00 C ATOM 1230 C GLY A 79 -0.305 -17.862 11.448 1.00 0.00 C ATOM 1231 O GLY A 79 0.355 -17.203 12.250 1.00 0.00 O ATOM 0 H GLY A 79 -3.031 -17.425 10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.119 -17.673 12.568 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.662 -19.328 12.216 1.00 0.00 H new ATOM 1235 N GLU A 80 0.150 -18.210 10.248 1.00 0.00 N ATOM 1236 CA GLU A 80 1.483 -17.829 9.798 1.00 0.00 C ATOM 1237 C GLU A 80 1.486 -16.406 9.247 1.00 0.00 C ATOM 1238 O GLU A 80 0.433 -15.845 8.944 1.00 0.00 O ATOM 1239 CB GLU A 80 1.982 -18.803 8.727 1.00 0.00 C ATOM 1240 CG GLU A 80 1.979 -20.254 9.176 1.00 0.00 C ATOM 1241 CD GLU A 80 2.882 -21.129 8.328 1.00 0.00 C ATOM 1242 OE1 GLU A 80 3.703 -20.574 7.568 1.00 0.00 O ATOM 1243 OE2 GLU A 80 2.767 -22.369 8.424 1.00 0.00 O ATOM 0 H GLU A 80 -0.385 -18.754 9.571 1.00 0.00 H new ATOM 0 HA GLU A 80 2.153 -17.869 10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.357 -18.705 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.995 -18.523 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.299 -20.309 10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.961 -20.641 9.135 1.00 0.00 H new ATOM 1250 N SER A 81 2.676 -15.828 9.122 1.00 0.00 N ATOM 1251 CA SER A 81 2.816 -14.469 8.613 1.00 0.00 C ATOM 1252 C SER A 81 3.922 -14.393 7.564 1.00 0.00 C ATOM 1253 O SER A 81 4.748 -15.298 7.451 1.00 0.00 O ATOM 1254 CB SER A 81 3.118 -13.501 9.759 1.00 0.00 C ATOM 1255 OG SER A 81 2.471 -13.907 10.953 1.00 0.00 O ATOM 0 H SER A 81 3.557 -16.280 9.366 1.00 0.00 H new ATOM 0 HA SER A 81 1.874 -14.184 8.145 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.194 -13.452 9.924 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.791 -12.497 9.487 1.00 0.00 H new ATOM 0 HG SER A 81 2.681 -13.273 11.671 1.00 0.00 H new ATOM 1261 N MET A 82 3.929 -13.307 6.799 1.00 0.00 N ATOM 1262 CA MET A 82 4.933 -13.112 5.759 1.00 0.00 C ATOM 1263 C MET A 82 5.272 -11.633 5.602 1.00 0.00 C ATOM 1264 O MET A 82 4.677 -10.778 6.257 1.00 0.00 O ATOM 1265 CB MET A 82 4.436 -13.677 4.428 1.00 0.00 C ATOM 1266 CG MET A 82 3.543 -12.720 3.656 1.00 0.00 C ATOM 1267 SD MET A 82 4.405 -11.906 2.298 1.00 0.00 S ATOM 1268 CE MET A 82 4.233 -13.132 1.004 1.00 0.00 C ATOM 0 H MET A 82 3.251 -12.549 6.879 1.00 0.00 H new ATOM 0 HA MET A 82 5.836 -13.645 6.056 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.295 -13.937 3.810 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.888 -14.600 4.617 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.687 -13.267 3.261 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.152 -11.965 4.338 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.717 -12.773 0.096 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.701 -14.064 1.321 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.175 -13.306 0.806 1.00 0.00 H new ATOM 1278 N GLN A 83 6.232 -11.340 4.730 1.00 0.00 N ATOM 1279 CA GLN A 83 6.650 -9.964 4.489 1.00 0.00 C ATOM 1280 C GLN A 83 6.447 -9.582 3.027 1.00 0.00 C ATOM 1281 O GLN A 83 6.717 -10.375 2.124 1.00 0.00 O ATOM 1282 CB GLN A 83 8.117 -9.778 4.879 1.00 0.00 C ATOM 1283 CG GLN A 83 8.330 -9.575 6.370 1.00 0.00 C ATOM 1284 CD GLN A 83 9.796 -9.576 6.756 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.477 -10.596 6.649 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.290 -8.429 7.207 1.00 0.00 N ATOM 0 H GLN A 83 6.734 -12.036 4.179 1.00 0.00 H new ATOM 0 HA GLN A 83 6.033 -9.310 5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.684 -10.651 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.521 -8.919 4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.879 -8.630 6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.814 -10.363 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.689 -7.608 7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.271 -8.369 7.481 1.00 0.00 H new ATOM 1295 N LEU A 84 5.971 -8.363 2.799 1.00 0.00 N ATOM 1296 CA LEU A 84 5.732 -7.875 1.445 1.00 0.00 C ATOM 1297 C LEU A 84 6.498 -6.582 1.189 1.00 0.00 C ATOM 1298 O LEU A 84 6.300 -5.584 1.882 1.00 0.00 O ATOM 1299 CB LEU A 84 4.236 -7.648 1.221 1.00 0.00 C ATOM 1300 CG LEU A 84 3.374 -8.906 1.111 1.00 0.00 C ATOM 1301 CD1 LEU A 84 1.897 -8.544 1.107 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.736 -9.693 -0.140 1.00 0.00 C ATOM 0 H LEU A 84 5.743 -7.694 3.534 1.00 0.00 H new ATOM 0 HA LEU A 84 6.088 -8.631 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.854 -7.041 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.110 -7.065 0.309 1.00 0.00 H new ATOM 0 HG LEU A 84 3.570 -9.534 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.300 -9.453 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.647 -8.025 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.684 -7.895 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.113 -10.585 -0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.570 -9.073 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.785 -9.986 -0.095 1.00 0.00 H new ATOM 1314 N GLU A 85 7.373 -6.607 0.188 1.00 0.00 N ATOM 1315 CA GLU A 85 8.168 -5.435 -0.160 1.00 0.00 C ATOM 1316 C GLU A 85 7.428 -4.553 -1.163 1.00 0.00 C ATOM 1317 O GLU A 85 6.835 -5.048 -2.122 1.00 0.00 O ATOM 1318 CB GLU A 85 9.519 -5.861 -0.739 1.00 0.00 C ATOM 1319 CG GLU A 85 10.629 -5.931 0.296 1.00 0.00 C ATOM 1320 CD GLU A 85 10.635 -7.242 1.057 1.00 0.00 C ATOM 1321 OE1 GLU A 85 9.928 -8.179 0.632 1.00 0.00 O ATOM 1322 OE2 GLU A 85 11.348 -7.331 2.079 1.00 0.00 O ATOM 0 H GLU A 85 7.549 -7.425 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 85 8.336 -4.859 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.411 -6.838 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.807 -5.159 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.591 -5.798 -0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.516 -5.107 1.000 1.00 0.00 H new ATOM 1329 N VAL A 86 7.467 -3.245 -0.933 1.00 0.00 N ATOM 1330 CA VAL A 86 6.801 -2.294 -1.815 1.00 0.00 C ATOM 1331 C VAL A 86 7.758 -1.193 -2.259 1.00 0.00 C ATOM 1332 O VAL A 86 8.260 -0.426 -1.438 1.00 0.00 O ATOM 1333 CB VAL A 86 5.581 -1.652 -1.129 1.00 0.00 C ATOM 1334 CG1 VAL A 86 5.005 -0.541 -1.995 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.525 -2.704 -0.827 1.00 0.00 C ATOM 0 H VAL A 86 7.953 -2.819 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 86 6.465 -2.854 -2.688 1.00 0.00 H new ATOM 0 HB VAL A 86 5.906 -1.214 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.144 -0.099 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.764 0.225 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.695 -0.952 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.670 -2.233 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.202 -3.173 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.945 -3.462 -0.165 1.00 0.00 H new ATOM 1345 N GLU A 87 8.006 -1.122 -3.563 1.00 0.00 N ATOM 1346 CA GLU A 87 8.904 -0.115 -4.116 1.00 0.00 C ATOM 1347 C GLU A 87 8.115 1.035 -4.737 1.00 0.00 C ATOM 1348 O GLU A 87 7.243 0.821 -5.579 1.00 0.00 O ATOM 1349 CB GLU A 87 9.825 -0.741 -5.165 1.00 0.00 C ATOM 1350 CG GLU A 87 10.940 0.183 -5.624 1.00 0.00 C ATOM 1351 CD GLU A 87 11.332 -0.050 -7.071 1.00 0.00 C ATOM 1352 OE1 GLU A 87 10.424 -0.221 -7.911 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.546 -0.061 -7.362 1.00 0.00 O ATOM 0 H GLU A 87 7.598 -1.750 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 87 9.510 0.281 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.264 -1.650 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.230 -1.036 -6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.623 1.218 -5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.813 0.038 -4.987 1.00 0.00 H new ATOM 1360 N PHE A 88 8.428 2.255 -4.314 1.00 0.00 N ATOM 1361 CA PHE A 88 7.749 3.440 -4.826 1.00 0.00 C ATOM 1362 C PHE A 88 8.721 4.608 -4.963 1.00 0.00 C ATOM 1363 O PHE A 88 9.200 5.150 -3.968 1.00 0.00 O ATOM 1364 CB PHE A 88 6.592 3.830 -3.903 1.00 0.00 C ATOM 1365 CG PHE A 88 6.139 5.251 -4.077 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.587 5.674 -5.275 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.267 6.164 -3.043 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.169 6.982 -5.439 1.00 0.00 C ATOM 1369 CE2 PHE A 88 5.850 7.472 -3.200 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.302 7.882 -4.400 1.00 0.00 C ATOM 0 H PHE A 88 9.148 2.449 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 88 7.353 3.202 -5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.750 3.163 -4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.897 3.679 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.482 4.974 -6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.698 5.850 -2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.739 7.299 -6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.952 8.173 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.978 8.905 -4.525 1.00 0.00 H new ATOM 1380 N GLU A 89 9.007 4.989 -6.204 1.00 0.00 N ATOM 1381 CA GLU A 89 9.923 6.091 -6.472 1.00 0.00 C ATOM 1382 C GLU A 89 9.273 7.130 -7.381 1.00 0.00 C ATOM 1383 O GLU A 89 9.218 6.977 -8.601 1.00 0.00 O ATOM 1384 CB GLU A 89 11.210 5.570 -7.114 1.00 0.00 C ATOM 1385 CG GLU A 89 12.160 6.671 -7.556 1.00 0.00 C ATOM 1386 CD GLU A 89 13.125 6.212 -8.632 1.00 0.00 C ATOM 1387 OE1 GLU A 89 12.739 5.349 -9.447 1.00 0.00 O ATOM 1388 OE2 GLU A 89 14.266 6.718 -8.659 1.00 0.00 O ATOM 0 H GLU A 89 8.618 4.551 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 89 10.166 6.566 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.724 4.922 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.953 4.956 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.582 7.517 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.725 7.026 -6.694 1.00 0.00 H new ATOM 1395 N PRO A 90 8.768 8.214 -6.774 1.00 0.00 N ATOM 1396 CA PRO A 90 8.112 9.300 -7.509 1.00 0.00 C ATOM 1397 C PRO A 90 9.096 10.108 -8.348 1.00 0.00 C ATOM 1398 O PRO A 90 10.281 10.188 -8.025 1.00 0.00 O ATOM 1399 CB PRO A 90 7.516 10.170 -6.399 1.00 0.00 C ATOM 1400 CG PRO A 90 8.367 9.899 -5.207 1.00 0.00 C ATOM 1401 CD PRO A 90 8.798 8.463 -5.323 1.00 0.00 C ATOM 0 HA PRO A 90 7.374 8.925 -8.218 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.538 11.226 -6.669 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.474 9.911 -6.209 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.230 10.565 -5.184 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.811 10.066 -4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.794 8.308 -4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.123 7.796 -4.787 1.00 0.00 H new ATOM 1409 N GLN A 91 8.596 10.705 -9.425 1.00 0.00 N ATOM 1410 CA GLN A 91 9.432 11.507 -10.311 1.00 0.00 C ATOM 1411 C GLN A 91 9.267 12.994 -10.016 1.00 0.00 C ATOM 1412 O GLN A 91 10.187 13.785 -10.227 1.00 0.00 O ATOM 1413 CB GLN A 91 9.083 11.223 -11.772 1.00 0.00 C ATOM 1414 CG GLN A 91 10.083 11.800 -12.760 1.00 0.00 C ATOM 1415 CD GLN A 91 11.501 11.799 -12.224 1.00 0.00 C ATOM 1416 OE1 GLN A 91 11.940 10.654 -11.715 1.00 0.00 O flip ATOM 1417 NE2 GLN A 91 12.194 12.816 -12.265 1.00 0.00 N flip ATOM 0 H GLN A 91 7.617 10.649 -9.705 1.00 0.00 H new ATOM 0 HA GLN A 91 10.472 11.233 -10.134 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.021 10.145 -11.919 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.096 11.632 -11.987 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.048 11.224 -13.685 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.794 12.821 -13.009 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.816 13.675 -12.665 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.146 12.800 -11.899 1.00 0.00 H new ATOM 1426 N SER A 92 8.089 13.369 -9.528 1.00 0.00 N ATOM 1427 CA SER A 92 7.802 14.762 -9.208 1.00 0.00 C ATOM 1428 C SER A 92 7.764 14.977 -7.698 1.00 0.00 C ATOM 1429 O SER A 92 7.540 14.040 -6.932 1.00 0.00 O ATOM 1430 CB SER A 92 6.469 15.186 -9.828 1.00 0.00 C ATOM 1431 OG SER A 92 5.409 14.363 -9.370 1.00 0.00 O ATOM 0 H SER A 92 7.318 12.727 -9.346 1.00 0.00 H new ATOM 0 HA SER A 92 8.601 15.376 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.261 16.226 -9.576 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.535 15.129 -10.914 1.00 0.00 H new ATOM 0 HG SER A 92 5.627 14.013 -8.481 1.00 0.00 H new ATOM 1437 N VAL A 93 7.986 16.218 -7.277 1.00 0.00 N ATOM 1438 CA VAL A 93 7.977 16.557 -5.859 1.00 0.00 C ATOM 1439 C VAL A 93 6.563 16.856 -5.375 1.00 0.00 C ATOM 1440 O VAL A 93 5.760 17.447 -6.096 1.00 0.00 O ATOM 1441 CB VAL A 93 8.875 17.774 -5.568 1.00 0.00 C ATOM 1442 CG1 VAL A 93 8.839 18.123 -4.088 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.301 17.506 -6.026 1.00 0.00 C ATOM 0 H VAL A 93 8.174 17.005 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 93 8.366 15.691 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 93 8.492 18.627 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.479 18.985 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.816 18.361 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.195 17.274 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.921 18.376 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.697 16.640 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.308 17.310 -7.098 1.00 0.00 H new ATOM 1453 N GLY A 94 6.264 16.443 -4.147 1.00 0.00 N ATOM 1454 CA GLY A 94 4.946 16.675 -3.586 1.00 0.00 C ATOM 1455 C GLY A 94 4.317 15.409 -3.040 1.00 0.00 C ATOM 1456 O GLY A 94 4.920 14.337 -3.088 1.00 0.00 O ATOM 0 H GLY A 94 6.911 15.952 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.019 17.414 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.297 17.098 -4.353 1.00 0.00 H new ATOM 1460 N ASP A 95 3.101 15.531 -2.519 1.00 0.00 N ATOM 1461 CA ASP A 95 2.389 14.387 -1.961 1.00 0.00 C ATOM 1462 C ASP A 95 1.990 13.407 -3.059 1.00 0.00 C ATOM 1463 O ASP A 95 1.386 13.792 -4.061 1.00 0.00 O ATOM 1464 CB ASP A 95 1.147 14.854 -1.201 1.00 0.00 C ATOM 1465 CG ASP A 95 1.460 15.938 -0.188 1.00 0.00 C ATOM 1466 OD1 ASP A 95 2.002 16.988 -0.593 1.00 0.00 O ATOM 1467 OD2 ASP A 95 1.165 15.736 1.008 1.00 0.00 O ATOM 0 H ASP A 95 2.588 16.411 -2.471 1.00 0.00 H new ATOM 0 HA ASP A 95 3.058 13.876 -1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.409 15.227 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.696 14.003 -0.690 1.00 0.00 H new ATOM 1472 N HIS A 96 2.333 12.137 -2.866 1.00 0.00 N ATOM 1473 CA HIS A 96 2.012 11.101 -3.840 1.00 0.00 C ATOM 1474 C HIS A 96 1.291 9.933 -3.174 1.00 0.00 C ATOM 1475 O HIS A 96 1.909 9.121 -2.486 1.00 0.00 O ATOM 1476 CB HIS A 96 3.284 10.605 -4.528 1.00 0.00 C ATOM 1477 CG HIS A 96 3.713 11.458 -5.682 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.262 11.264 -6.970 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.556 12.516 -5.735 1.00 0.00 C ATOM 1480 CE1 HIS A 96 3.810 12.164 -7.767 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.599 12.936 -7.042 1.00 0.00 N ATOM 0 H HIS A 96 2.834 11.801 -2.043 1.00 0.00 H new ATOM 0 HA HIS A 96 1.349 11.535 -4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.091 10.566 -3.796 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.123 9.586 -4.880 1.00 0.00 H new ATOM 0 HD1 HIS A 96 2.607 10.539 -7.262 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.094 12.949 -4.905 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.641 12.253 -8.830 1.00 0.00 H new ATOM 1490 N SER A 97 -0.020 9.856 -3.382 1.00 0.00 N ATOM 1491 CA SER A 97 -0.825 8.790 -2.797 1.00 0.00 C ATOM 1492 C SER A 97 -1.555 8.004 -3.882 1.00 0.00 C ATOM 1493 O SER A 97 -1.704 8.471 -5.010 1.00 0.00 O ATOM 1494 CB SER A 97 -1.835 9.371 -1.806 1.00 0.00 C ATOM 1495 OG SER A 97 -1.197 10.212 -0.861 1.00 0.00 O ATOM 0 H SER A 97 -0.547 10.519 -3.951 1.00 0.00 H new ATOM 0 HA SER A 97 -0.156 8.111 -2.268 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.595 9.936 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.348 8.561 -1.288 1.00 0.00 H new ATOM 0 HG SER A 97 -1.205 9.780 0.019 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.008 6.804 -3.531 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.716 5.970 -4.484 1.00 0.00 C ATOM 1503 C GLY A 98 -3.609 4.948 -3.809 1.00 0.00 C ATOM 1504 O GLY A 98 -4.167 5.209 -2.743 1.00 0.00 O ATOM 0 H GLY A 98 -1.897 6.395 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.320 6.601 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.994 5.455 -5.118 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.747 3.782 -4.432 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.581 2.718 -3.886 1.00 0.00 C ATOM 1510 C ARG A 99 -4.111 1.352 -4.377 1.00 0.00 C ATOM 1511 O ARG A 99 -3.821 1.172 -5.561 1.00 0.00 O ATOM 1512 CB ARG A 99 -6.044 2.937 -4.277 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.989 1.890 -3.710 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.443 2.310 -3.865 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.918 2.143 -5.236 1.00 0.00 N ATOM 1516 CZ ARG A 99 -8.879 3.107 -6.149 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -8.389 4.299 -5.839 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -9.330 2.878 -7.376 1.00 0.00 N ATOM 0 H ARG A 99 -3.292 3.550 -5.315 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.494 2.744 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.359 3.923 -3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.125 2.937 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.828 0.939 -4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.766 1.730 -2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.065 1.720 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.553 3.353 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.300 1.237 -5.507 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.041 4.478 -4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.360 5.037 -6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.707 1.962 -7.618 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.300 3.618 -8.077 1.00 0.00 H new ATOM 1532 N LEU A 100 -4.038 0.393 -3.461 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.602 -0.957 -3.800 1.00 0.00 C ATOM 1534 C LEU A 100 -4.782 -1.923 -3.810 1.00 0.00 C ATOM 1535 O LEU A 100 -5.342 -2.246 -2.761 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.543 -1.437 -2.806 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.091 -1.127 -3.170 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.171 -1.420 -1.995 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.666 -1.924 -4.394 1.00 0.00 C ATOM 0 H LEU A 100 -4.275 0.525 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.168 -0.932 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.756 -0.990 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.645 -2.516 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.015 -0.066 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.858 -1.193 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.461 -0.804 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.250 -2.473 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.370 -1.691 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.758 -2.990 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.305 -1.664 -5.238 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.153 -2.384 -4.999 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.264 -3.316 -5.145 1.00 0.00 C ATOM 1553 C ILE A 101 -5.771 -4.759 -5.172 1.00 0.00 C ATOM 1554 O ILE A 101 -5.117 -5.185 -6.123 1.00 0.00 O ATOM 1555 CB ILE A 101 -7.070 -3.037 -6.427 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.574 -1.592 -6.434 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.233 -4.010 -6.545 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -8.227 -1.186 -7.737 1.00 0.00 C ATOM 0 H ILE A 101 -4.700 -2.127 -5.876 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.912 -3.171 -4.280 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.416 -3.178 -7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.290 -1.461 -5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.737 -0.923 -6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.793 -3.799 -7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.851 -5.030 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.890 -3.899 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.560 -0.150 -7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.508 -1.284 -8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.084 -1.831 -7.931 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.092 -5.508 -4.121 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.684 -6.904 -4.025 1.00 0.00 C ATOM 1572 C VAL A 102 -6.772 -7.832 -4.554 1.00 0.00 C ATOM 1573 O VAL A 102 -7.907 -7.811 -4.074 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.354 -7.294 -2.572 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.779 -8.701 -2.514 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.391 -6.290 -1.957 1.00 0.00 C ATOM 0 H VAL A 102 -6.633 -5.171 -3.325 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.788 -7.014 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.277 -7.280 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.552 -8.959 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.506 -9.408 -2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.866 -8.746 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.169 -6.581 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.468 -6.269 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.845 -5.299 -1.963 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.420 -8.645 -5.543 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.367 -9.581 -6.138 1.00 0.00 C ATOM 1588 C CYS A 103 -7.295 -10.939 -5.448 1.00 0.00 C ATOM 1589 O CYS A 103 -6.209 -11.442 -5.156 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.088 -9.740 -7.633 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.325 -10.721 -8.515 1.00 0.00 S ATOM 0 H CYS A 103 -5.485 -8.675 -5.950 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.371 -9.178 -6.004 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.032 -8.751 -8.088 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.111 -10.206 -7.762 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.003 -10.797 -9.772 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.457 -11.528 -5.189 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.526 -12.826 -4.529 1.00 0.00 C ATOM 1599 C TYR A 104 -8.957 -13.913 -5.509 1.00 0.00 C ATOM 1600 O TYR A 104 -9.676 -13.647 -6.473 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.500 -12.772 -3.351 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.847 -12.384 -2.043 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -7.890 -13.201 -1.454 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -9.188 -11.203 -1.397 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.291 -12.852 -0.259 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -8.593 -10.845 -0.202 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.646 -11.673 0.363 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.052 -11.320 1.553 1.00 0.00 O ATOM 0 H TYR A 104 -9.364 -11.127 -5.426 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.530 -13.069 -4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.292 -12.058 -3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.973 -13.747 -3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.610 -14.125 -1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -9.931 -10.553 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.549 -13.499 0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.868 -9.922 0.287 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.413 -10.461 1.857 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.513 -15.139 -5.256 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.853 -16.268 -6.114 1.00 0.00 C ATOM 1620 C ASP A 105 -10.167 -16.907 -5.675 1.00 0.00 C ATOM 1621 O ASP A 105 -10.520 -17.998 -6.125 1.00 0.00 O ATOM 1622 CB ASP A 105 -7.732 -17.309 -6.090 1.00 0.00 C ATOM 1623 CG ASP A 105 -6.682 -17.053 -7.153 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -6.303 -15.878 -7.342 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -6.239 -18.027 -7.796 1.00 0.00 O ATOM 0 H ASP A 105 -7.917 -15.377 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.972 -15.897 -7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.259 -17.307 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.158 -18.301 -6.236 1.00 0.00 H new ATOM 1630 N THR A 106 -10.887 -16.222 -4.793 1.00 0.00 N ATOM 1631 CA THR A 106 -12.161 -16.723 -4.292 1.00 0.00 C ATOM 1632 C THR A 106 -13.305 -15.787 -4.665 1.00 0.00 C ATOM 1633 O THR A 106 -14.440 -16.223 -4.854 1.00 0.00 O ATOM 1634 CB THR A 106 -12.133 -16.898 -2.762 1.00 0.00 C ATOM 1635 OG1 THR A 106 -13.386 -17.420 -2.305 1.00 0.00 O ATOM 1636 CG2 THR A 106 -11.848 -15.573 -2.071 1.00 0.00 C ATOM 0 H THR A 106 -10.610 -15.318 -4.410 1.00 0.00 H new ATOM 0 HA THR A 106 -12.324 -17.695 -4.758 1.00 0.00 H new ATOM 0 HB THR A 106 -11.336 -17.599 -2.513 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.359 -17.530 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.833 -15.722 -0.991 1.00 0.00 H new ATOM 0 HG22 THR A 106 -10.880 -15.193 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.626 -14.854 -2.328 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.999 -14.497 -4.769 1.00 0.00 N ATOM 1645 CA GLY A 107 -14.013 -13.520 -5.119 1.00 0.00 C ATOM 1646 C GLY A 107 -14.059 -12.359 -4.146 1.00 0.00 C ATOM 1647 O GLY A 107 -15.133 -11.959 -3.698 1.00 0.00 O ATOM 0 H GLY A 107 -12.067 -14.112 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.818 -13.142 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.988 -14.006 -5.146 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.890 -11.817 -3.818 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.803 -10.696 -2.890 1.00 0.00 C ATOM 1653 C GLU A 108 -11.902 -9.597 -3.447 1.00 0.00 C ATOM 1654 O GLU A 108 -11.158 -9.814 -4.403 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.271 -11.167 -1.535 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.333 -11.800 -0.651 1.00 0.00 C ATOM 1657 CD GLU A 108 -12.746 -12.486 0.567 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -12.226 -13.612 0.419 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -12.807 -11.898 1.666 1.00 0.00 O ATOM 0 H GLU A 108 -11.992 -12.136 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.805 -10.289 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.470 -11.888 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.833 -10.318 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.036 -11.032 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.900 -12.526 -1.234 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.976 -8.416 -2.842 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.168 -7.282 -3.276 1.00 0.00 C ATOM 1668 C LYS A 109 -10.792 -6.398 -2.091 1.00 0.00 C ATOM 1669 O LYS A 109 -11.653 -5.981 -1.317 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.927 -6.459 -4.320 1.00 0.00 C ATOM 1671 CG LYS A 109 -11.616 -6.858 -5.752 1.00 0.00 C ATOM 1672 CD LYS A 109 -12.029 -5.775 -6.734 1.00 0.00 C ATOM 1673 CE LYS A 109 -11.218 -5.850 -8.019 1.00 0.00 C ATOM 1674 NZ LYS A 109 -11.498 -7.101 -8.779 1.00 0.00 N ATOM 0 H LYS A 109 -12.587 -8.219 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.252 -7.669 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.998 -6.566 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.686 -5.405 -4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.548 -7.054 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.134 -7.786 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.089 -5.877 -6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.896 -4.796 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.447 -4.987 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.155 -5.799 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.926 -7.115 -9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.256 -7.925 -8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.507 -7.137 -9.028 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.500 -6.115 -1.957 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.010 -5.278 -0.869 1.00 0.00 C ATOM 1690 C VAL A 110 -8.361 -4.006 -1.403 1.00 0.00 C ATOM 1691 O VAL A 110 -7.632 -4.037 -2.394 1.00 0.00 O ATOM 1692 CB VAL A 110 -7.991 -6.033 0.005 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.622 -5.209 1.229 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.542 -7.391 0.412 1.00 0.00 C ATOM 0 H VAL A 110 -8.774 -6.453 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.874 -5.013 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.086 -6.194 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.901 -5.759 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.183 -4.263 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.517 -5.014 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.809 -7.911 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.463 -7.255 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.749 -7.982 -0.480 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.630 -2.887 -0.738 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.073 -1.602 -1.146 1.00 0.00 C ATOM 1706 C PHE A 111 -7.209 -1.008 -0.038 1.00 0.00 C ATOM 1707 O PHE A 111 -7.613 -0.965 1.124 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.195 -0.628 -1.511 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.040 -1.092 -2.663 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -11.127 -1.925 -2.451 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -9.748 -0.695 -3.958 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -11.907 -2.354 -3.508 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -10.525 -1.120 -5.019 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.605 -1.951 -4.794 1.00 0.00 C ATOM 0 H PHE A 111 -9.230 -2.844 0.086 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.446 -1.768 -2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.833 -0.478 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.759 0.340 -1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.368 -2.243 -1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -8.904 -0.046 -4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -12.751 -3.003 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.288 -0.802 -6.024 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.212 -2.285 -5.622 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.016 -0.551 -0.407 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.094 0.042 0.555 1.00 0.00 C ATOM 1726 C VAL A 112 -4.447 1.301 -0.009 1.00 0.00 C ATOM 1727 O VAL A 112 -3.525 1.228 -0.821 1.00 0.00 O ATOM 1728 CB VAL A 112 -3.989 -0.953 0.960 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.119 -0.365 2.060 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.599 -2.275 1.399 1.00 0.00 C ATOM 0 H VAL A 112 -5.666 -0.580 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.680 0.302 1.437 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.357 -1.142 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.344 -1.081 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.654 0.554 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.734 -0.146 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.805 -2.966 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.255 -2.107 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.175 -2.701 0.577 1.00 0.00 H new ATOM 1740 N SER A 113 -4.936 2.458 0.428 1.00 0.00 N ATOM 1741 CA SER A 113 -4.407 3.735 -0.035 1.00 0.00 C ATOM 1742 C SER A 113 -2.890 3.785 0.122 1.00 0.00 C ATOM 1743 O SER A 113 -2.321 3.111 0.982 1.00 0.00 O ATOM 1744 CB SER A 113 -5.050 4.888 0.738 1.00 0.00 C ATOM 1745 OG SER A 113 -6.454 4.722 0.828 1.00 0.00 O ATOM 0 H SER A 113 -5.698 2.536 1.102 1.00 0.00 H new ATOM 0 HA SER A 113 -4.648 3.837 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.622 4.942 1.739 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.823 5.832 0.243 1.00 0.00 H new ATOM 0 HG SER A 113 -6.841 5.471 1.328 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.241 4.588 -0.713 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.790 4.727 -0.668 1.00 0.00 C ATOM 1753 C LEU A 114 -0.391 6.145 -0.271 1.00 0.00 C ATOM 1754 O LEU A 114 -1.230 7.044 -0.214 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.181 4.376 -2.027 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.309 2.915 -2.461 1.00 0.00 C ATOM 1757 CD1 LEU A 114 -0.034 2.776 -3.951 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.637 2.035 -1.658 1.00 0.00 C ATOM 0 H LEU A 114 -2.697 5.153 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.407 4.037 0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.650 5.002 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.877 4.637 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.330 2.586 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.129 1.730 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.752 3.376 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.976 3.123 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.532 0.999 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.664 2.363 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.394 2.112 -0.598 1.00 0.00 H new ATOM 1770 N TYR A 115 0.895 6.338 0.001 1.00 0.00 N ATOM 1771 CA TYR A 115 1.406 7.647 0.393 1.00 0.00 C ATOM 1772 C TYR A 115 2.923 7.705 0.247 1.00 0.00 C ATOM 1773 O TYR A 115 3.578 6.685 0.037 1.00 0.00 O ATOM 1774 CB TYR A 115 1.008 7.961 1.836 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.154 8.922 1.948 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.030 10.288 1.778 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.436 8.462 2.224 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -1.029 11.170 1.881 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.501 9.336 2.327 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.292 10.689 2.155 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.350 11.563 2.257 1.00 0.00 O ATOM 0 H TYR A 115 1.603 5.605 -0.043 1.00 0.00 H new ATOM 0 HA TYR A 115 0.967 8.394 -0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.750 7.031 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.868 8.381 2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.018 10.668 1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.603 7.404 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.868 12.230 1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.491 8.962 2.541 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.170 11.063 2.452 1.00 0.00 H new ATOM 1791 N GLY A 116 3.476 8.909 0.361 1.00 0.00 N ATOM 1792 CA GLY A 116 4.912 9.080 0.239 1.00 0.00 C ATOM 1793 C GLY A 116 5.298 10.501 -0.123 1.00 0.00 C ATOM 1794 O GLY A 116 5.746 10.763 -1.239 1.00 0.00 O ATOM 0 H GLY A 116 2.955 9.769 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.389 8.806 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.293 8.398 -0.522 1.00 0.00 H new ATOM 1798 N ALA A 117 5.123 11.419 0.821 1.00 0.00 N ATOM 1799 CA ALA A 117 5.456 12.820 0.595 1.00 0.00 C ATOM 1800 C ALA A 117 6.885 12.969 0.084 1.00 0.00 C ATOM 1801 O ALA A 117 7.842 12.880 0.853 1.00 0.00 O ATOM 1802 CB ALA A 117 5.265 13.621 1.875 1.00 0.00 C ATOM 0 H ALA A 117 4.752 11.218 1.750 1.00 0.00 H new ATOM 0 HA ALA A 117 4.782 13.209 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.517 14.665 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.226 13.550 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.915 13.222 2.654 1.00 0.00 H new ATOM 1808 N ALA A 118 7.023 13.195 -1.218 1.00 0.00 N ATOM 1809 CA ALA A 118 8.335 13.357 -1.831 1.00 0.00 C ATOM 1810 C ALA A 118 8.833 14.792 -1.692 1.00 0.00 C ATOM 1811 O ALA A 118 8.046 15.738 -1.738 1.00 0.00 O ATOM 1812 CB ALA A 118 8.286 12.953 -3.297 1.00 0.00 C ATOM 0 H ALA A 118 6.241 13.270 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 118 9.035 12.705 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.273 13.079 -3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 118 7.983 11.909 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.567 13.581 -3.824 1.00 0.00 H new ATOM 1818 N ILE A 119 10.141 14.945 -1.520 1.00 0.00 N ATOM 1819 CA ILE A 119 10.743 16.265 -1.375 1.00 0.00 C ATOM 1820 C ILE A 119 11.803 16.507 -2.443 1.00 0.00 C ATOM 1821 O ILE A 119 12.463 15.573 -2.900 1.00 0.00 O ATOM 1822 CB ILE A 119 11.381 16.442 0.016 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.432 15.357 0.260 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.312 16.406 1.098 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.551 15.796 1.179 1.00 0.00 C ATOM 0 H ILE A 119 10.805 14.172 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 119 9.940 16.993 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 119 11.874 17.414 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 119 11.945 14.480 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.857 15.052 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.779 16.532 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.597 17.212 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.793 15.448 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.259 14.977 1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.063 16.654 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 119 13.138 16.073 2.149 1.00 0.00 H new ATOM 1837 N ASP A 120 11.963 17.766 -2.836 1.00 0.00 N ATOM 1838 CA ASP A 120 12.946 18.132 -3.849 1.00 0.00 C ATOM 1839 C ASP A 120 14.365 17.920 -3.331 1.00 0.00 C ATOM 1840 O ASP A 120 15.338 18.143 -4.050 1.00 0.00 O ATOM 1841 CB ASP A 120 12.756 19.590 -4.271 1.00 0.00 C ATOM 1842 CG ASP A 120 13.646 20.538 -3.491 1.00 0.00 C ATOM 1843 OD1 ASP A 120 14.788 20.781 -3.935 1.00 0.00 O ATOM 1844 OD2 ASP A 120 13.199 21.039 -2.439 1.00 0.00 O ATOM 0 H ASP A 120 11.424 18.550 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 120 12.795 17.488 -4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.970 19.688 -5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 120 11.713 19.874 -4.128 1.00 0.00 H new