USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 823 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 94 MET CE :methyl 180:sc= -1.98! (180deg=-1.98!) USER MOD Set 1.2: A 103 HIS : no HE2:sc= -1.74 K(o=-3.7,f=-5.2) USER MOD Set 2.1: A 61 LYS NZ :NH3+ -118:sc= -0.943! (180deg=-0.164) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.564! C(o=-1.5!,f=-10!) USER MOD Single : A 27 SER OG : rot -61:sc= 1.77 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.455 F(o=-1.6,f=-0.46) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS :FLIP no HE2:sc= -0.099 F(o=-1.1,f=-0.099) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 57 ASN : amide:sc= -0.189 K(o=-0.19,f=-4.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.568 USER MOD Single : A 73 TYR OH : rot -123:sc= 0.936 USER MOD Single : A 78 SER OG : rot -170:sc= -1.3 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.539 K(o=-0.54,f=-2.3!) USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= -0.285 (180deg=-0.312) USER MOD Single : A 93 GLN : amide:sc= -2.16 K(o=-2.2,f=-5.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl -148:sc= -0.131 (180deg=-1.23) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 150:sc= 0.19 (180deg=0.0116) USER MOD Single : A 112 THR OG1 : rot -119:sc= 1.16 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.048) USER MOD Single : A 118 SER OG : rot 39:sc= -0.979 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc=-0.00573 X(o=-0.0057,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -152:sc= -0.71 (180deg=-2.26!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 287 N ALA A 21 4.748 7.237 7.302 1.00 0.00 N ATOM 288 CA ALA A 21 3.455 6.735 7.733 1.00 0.00 C ATOM 289 C ALA A 21 3.662 5.621 8.761 1.00 0.00 C ATOM 290 O ALA A 21 4.762 5.086 8.888 1.00 0.00 O ATOM 291 CB ALA A 21 2.657 6.264 6.516 1.00 0.00 C ATOM 0 HA ALA A 21 2.878 7.525 8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.687 5.887 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.511 7.099 5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.203 5.469 6.008 1.00 0.00 H new ATOM 297 N ALA A 22 2.587 5.305 9.469 1.00 0.00 N ATOM 298 CA ALA A 22 2.637 4.264 10.482 1.00 0.00 C ATOM 299 C ALA A 22 2.367 2.908 9.827 1.00 0.00 C ATOM 300 O ALA A 22 1.573 2.813 8.893 1.00 0.00 O ATOM 301 CB ALA A 22 1.636 4.585 11.593 1.00 0.00 C ATOM 0 H ALA A 22 1.676 5.752 9.361 1.00 0.00 H new ATOM 0 HA ALA A 22 3.626 4.218 10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.673 3.804 12.353 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.889 5.544 12.045 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.631 4.636 11.174 1.00 0.00 H new ATOM 307 N VAL A 23 3.044 1.893 10.343 1.00 0.00 N ATOM 308 CA VAL A 23 2.887 0.546 9.820 1.00 0.00 C ATOM 309 C VAL A 23 1.840 -0.200 10.649 1.00 0.00 C ATOM 310 O VAL A 23 1.623 0.123 11.816 1.00 0.00 O ATOM 311 CB VAL A 23 4.242 -0.164 9.789 1.00 0.00 C ATOM 312 CG1 VAL A 23 4.070 -1.662 9.527 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.170 0.471 8.751 1.00 0.00 C ATOM 0 H VAL A 23 3.702 1.976 11.118 1.00 0.00 H new ATOM 0 HA VAL A 23 2.526 0.575 8.792 1.00 0.00 H new ATOM 0 HB VAL A 23 4.705 -0.046 10.769 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.048 -2.143 9.510 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.463 -2.102 10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.576 -1.809 8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.126 -0.052 8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.715 0.398 7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.331 1.520 9.000 1.00 0.00 H new ATOM 323 N ASP A 24 1.219 -1.183 10.014 1.00 0.00 N ATOM 324 CA ASP A 24 0.200 -1.977 10.679 1.00 0.00 C ATOM 325 C ASP A 24 0.875 -3.026 11.565 1.00 0.00 C ATOM 326 O ASP A 24 1.926 -3.558 11.213 1.00 0.00 O ATOM 327 CB ASP A 24 -0.677 -2.710 9.662 1.00 0.00 C ATOM 328 CG ASP A 24 -2.184 -2.532 9.860 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.710 -1.527 9.336 1.00 0.00 O ATOM 330 OD2 ASP A 24 -2.775 -3.406 10.530 1.00 0.00 O ATOM 0 H ASP A 24 1.402 -1.448 9.046 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.420 -1.304 11.271 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.414 -2.365 8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.444 -3.774 9.703 1.00 0.00 H new ATOM 335 N PRO A 25 0.225 -3.300 12.728 1.00 0.00 N ATOM 336 CA PRO A 25 0.751 -4.276 13.667 1.00 0.00 C ATOM 337 C PRO A 25 0.520 -5.701 13.163 1.00 0.00 C ATOM 338 O PRO A 25 1.193 -6.634 13.599 1.00 0.00 O ATOM 339 CB PRO A 25 0.035 -3.986 14.977 1.00 0.00 C ATOM 340 CG PRO A 25 -1.194 -3.171 14.609 1.00 0.00 C ATOM 341 CD PRO A 25 -1.023 -2.689 13.178 1.00 0.00 C ATOM 0 HA PRO A 25 1.831 -4.200 13.793 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.246 -4.911 15.481 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.680 -3.433 15.660 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.095 -3.777 14.703 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.307 -2.324 15.286 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.862 -2.996 12.554 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.971 -1.601 13.130 1.00 0.00 H new ATOM 349 N ASP A 26 -0.433 -5.826 12.250 1.00 0.00 N ATOM 350 CA ASP A 26 -0.760 -7.122 11.682 1.00 0.00 C ATOM 351 C ASP A 26 0.355 -7.551 10.726 1.00 0.00 C ATOM 352 O ASP A 26 0.459 -8.726 10.375 1.00 0.00 O ATOM 353 CB ASP A 26 -2.066 -7.061 10.888 1.00 0.00 C ATOM 354 CG ASP A 26 -2.865 -8.366 10.855 1.00 0.00 C ATOM 355 OD1 ASP A 26 -2.220 -9.429 10.989 1.00 0.00 O ATOM 356 OD2 ASP A 26 -4.101 -8.271 10.696 1.00 0.00 O ATOM 0 H ASP A 26 -0.989 -5.050 11.890 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.869 -7.832 12.502 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.695 -6.278 11.312 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.837 -6.767 9.864 1.00 0.00 H new ATOM 361 N SER A 27 1.161 -6.576 10.332 1.00 0.00 N ATOM 362 CA SER A 27 2.264 -6.838 9.423 1.00 0.00 C ATOM 363 C SER A 27 3.449 -7.423 10.194 1.00 0.00 C ATOM 364 O SER A 27 4.225 -8.205 9.647 1.00 0.00 O ATOM 365 CB SER A 27 2.686 -5.565 8.687 1.00 0.00 C ATOM 366 OG SER A 27 3.563 -4.761 9.471 1.00 0.00 O ATOM 0 H SER A 27 1.072 -5.603 10.626 1.00 0.00 H new ATOM 0 HA SER A 27 1.930 -7.561 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.178 -5.833 7.752 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.800 -4.986 8.426 1.00 0.00 H new ATOM 0 HG SER A 27 3.104 -4.479 10.290 1.00 0.00 H new ATOM 372 N GLY A 28 3.551 -7.022 11.453 1.00 0.00 N ATOM 373 CA GLY A 28 4.629 -7.496 12.304 1.00 0.00 C ATOM 374 C GLY A 28 5.943 -6.785 11.974 1.00 0.00 C ATOM 375 O GLY A 28 6.993 -7.132 12.512 1.00 0.00 O ATOM 0 H GLY A 28 2.905 -6.374 11.904 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.373 -7.326 13.350 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.752 -8.572 12.176 1.00 0.00 H new ATOM 379 N LEU A 29 5.841 -5.803 11.090 1.00 0.00 N ATOM 380 CA LEU A 29 7.008 -5.041 10.681 1.00 0.00 C ATOM 381 C LEU A 29 6.948 -3.647 11.310 1.00 0.00 C ATOM 382 O LEU A 29 7.868 -2.848 11.147 1.00 0.00 O ATOM 383 CB LEU A 29 7.129 -5.022 9.156 1.00 0.00 C ATOM 384 CG LEU A 29 6.904 -6.360 8.449 1.00 0.00 C ATOM 385 CD1 LEU A 29 6.877 -6.180 6.930 1.00 0.00 C ATOM 386 CD2 LEU A 29 7.944 -7.393 8.885 1.00 0.00 C ATOM 0 H LEU A 29 4.968 -5.518 10.646 1.00 0.00 H new ATOM 0 HA LEU A 29 7.919 -5.517 11.044 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.412 -4.301 8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.123 -4.658 8.895 1.00 0.00 H new ATOM 0 HG LEU A 29 5.927 -6.742 8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.716 -7.146 6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.069 -5.501 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.828 -5.764 6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.761 -8.335 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.942 -7.031 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.871 -7.550 9.961 1.00 0.00 H new ATOM 398 N GLU A 30 5.854 -3.399 12.016 1.00 0.00 N ATOM 399 CA GLU A 30 5.662 -2.116 12.670 1.00 0.00 C ATOM 400 C GLU A 30 6.806 -1.842 13.648 1.00 0.00 C ATOM 401 O GLU A 30 7.022 -0.700 14.052 1.00 0.00 O ATOM 402 CB GLU A 30 4.308 -2.061 13.381 1.00 0.00 C ATOM 403 CG GLU A 30 4.149 -3.234 14.350 1.00 0.00 C ATOM 404 CD GLU A 30 3.199 -2.875 15.495 1.00 0.00 C ATOM 405 OE1 GLU A 30 2.645 -1.756 15.442 1.00 0.00 O ATOM 406 OE2 GLU A 30 3.049 -3.728 16.396 1.00 0.00 O ATOM 0 H GLU A 30 5.092 -4.064 12.149 1.00 0.00 H new ATOM 0 HA GLU A 30 5.668 -1.337 11.908 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.217 -1.121 13.925 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.505 -2.082 12.644 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.767 -4.103 13.815 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.123 -3.511 14.754 1.00 0.00 H new ATOM 413 N HIS A 31 7.509 -2.908 14.001 1.00 0.00 N ATOM 414 CA HIS A 31 8.626 -2.797 14.924 1.00 0.00 C ATOM 415 C HIS A 31 9.909 -3.266 14.236 1.00 0.00 C ATOM 416 O HIS A 31 10.929 -3.472 14.891 1.00 0.00 O ATOM 417 CB HIS A 31 8.337 -3.556 16.221 1.00 0.00 C ATOM 418 CG HIS A 31 7.455 -4.768 16.039 1.00 0.00 C ATOM 419 ND1 HIS A 31 6.244 -5.079 16.584 1.00 0.00 N flip ATOM 420 CD2 HIS A 31 7.795 -5.826 15.214 1.00 0.00 C flip ATOM 421 CE1 HIS A 31 5.865 -6.262 16.117 1.00 0.00 C flip ATOM 422 NE2 HIS A 31 6.826 -6.727 15.268 1.00 0.00 N flip ATOM 0 H HIS A 31 7.327 -3.853 13.664 1.00 0.00 H new ATOM 0 HA HIS A 31 8.767 -1.754 15.206 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.282 -3.870 16.664 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.863 -2.877 16.929 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.698 -5.904 14.626 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.947 -6.772 16.368 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.802 -7.613 14.763 1.00 0.00 H new ATOM 430 N SER A 32 9.816 -3.420 12.923 1.00 0.00 N ATOM 431 CA SER A 32 10.957 -3.861 12.139 1.00 0.00 C ATOM 432 C SER A 32 11.112 -2.978 10.899 1.00 0.00 C ATOM 433 O SER A 32 12.137 -2.321 10.725 1.00 0.00 O ATOM 434 CB SER A 32 10.811 -5.328 11.731 1.00 0.00 C ATOM 435 OG SER A 32 11.766 -6.161 12.383 1.00 0.00 O ATOM 0 H SER A 32 8.968 -3.247 12.383 1.00 0.00 H new ATOM 0 HA SER A 32 11.851 -3.771 12.756 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.805 -5.673 11.971 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.929 -5.417 10.651 1.00 0.00 H new ATOM 0 HG SER A 32 11.639 -7.090 12.097 1.00 0.00 H new ATOM 441 N ALA A 33 10.079 -2.992 10.069 1.00 0.00 N ATOM 442 CA ALA A 33 10.087 -2.200 8.851 1.00 0.00 C ATOM 443 C ALA A 33 9.195 -0.972 9.039 1.00 0.00 C ATOM 444 O ALA A 33 8.561 -0.815 10.081 1.00 0.00 O ATOM 445 CB ALA A 33 9.641 -3.071 7.674 1.00 0.00 C ATOM 0 H ALA A 33 9.231 -3.539 10.216 1.00 0.00 H new ATOM 0 HA ALA A 33 11.094 -1.844 8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.647 -2.478 6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.325 -3.913 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.633 -3.444 7.858 1.00 0.00 H new ATOM 451 N HIS A 34 9.173 -0.133 8.013 1.00 0.00 N ATOM 452 CA HIS A 34 8.368 1.076 8.053 1.00 0.00 C ATOM 453 C HIS A 34 7.807 1.364 6.659 1.00 0.00 C ATOM 454 O HIS A 34 8.286 0.817 5.667 1.00 0.00 O ATOM 455 CB HIS A 34 9.174 2.246 8.621 1.00 0.00 C ATOM 456 CG HIS A 34 10.465 2.516 7.887 1.00 0.00 C ATOM 457 ND1 HIS A 34 10.694 2.917 6.603 1.00 0.00 N flip ATOM 458 CD2 HIS A 34 11.708 2.378 8.480 1.00 0.00 C flip ATOM 459 CE1 HIS A 34 12.005 3.020 6.423 1.00 0.00 C flip ATOM 460 NE2 HIS A 34 12.635 2.685 7.585 1.00 0.00 N flip ATOM 0 H HIS A 34 9.699 -0.267 7.150 1.00 0.00 H new ATOM 0 HA HIS A 34 7.522 0.933 8.725 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.558 3.145 8.594 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.399 2.044 9.668 1.00 0.00 H new ATOM 0 HD1 HIS A 34 9.979 3.106 5.901 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.891 2.072 9.499 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.492 3.320 5.507 1.00 0.00 H new ATOM 468 N VAL A 35 6.798 2.222 6.629 1.00 0.00 N ATOM 469 CA VAL A 35 6.165 2.590 5.373 1.00 0.00 C ATOM 470 C VAL A 35 7.235 3.065 4.388 1.00 0.00 C ATOM 471 O VAL A 35 8.127 3.828 4.756 1.00 0.00 O ATOM 472 CB VAL A 35 5.076 3.634 5.622 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.408 4.053 4.311 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.041 3.119 6.624 1.00 0.00 C ATOM 0 H VAL A 35 6.403 2.673 7.454 1.00 0.00 H new ATOM 0 HA VAL A 35 5.672 1.727 4.926 1.00 0.00 H new ATOM 0 HB VAL A 35 5.550 4.516 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.637 4.796 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.155 4.480 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.955 3.181 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.278 3.881 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.575 2.215 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.532 2.894 7.571 1.00 0.00 H new ATOM 484 N LEU A 36 7.111 2.594 3.156 1.00 0.00 N ATOM 485 CA LEU A 36 8.057 2.961 2.116 1.00 0.00 C ATOM 486 C LEU A 36 7.717 4.359 1.594 1.00 0.00 C ATOM 487 O LEU A 36 6.580 4.619 1.203 1.00 0.00 O ATOM 488 CB LEU A 36 8.095 1.890 1.024 1.00 0.00 C ATOM 489 CG LEU A 36 9.084 2.131 -0.118 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.418 2.890 -1.268 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.341 2.842 0.386 1.00 0.00 C ATOM 0 H LEU A 36 6.370 1.961 2.855 1.00 0.00 H new ATOM 0 HA LEU A 36 9.068 3.008 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.334 0.934 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.096 1.797 0.599 1.00 0.00 H new ATOM 0 HG LEU A 36 9.397 1.163 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.142 3.049 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.578 2.309 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.058 3.854 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.027 3.001 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.066 3.804 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.827 2.228 1.145 1.00 0.00 H new ATOM 503 N GLU A 37 8.723 5.221 1.604 1.00 0.00 N ATOM 504 CA GLU A 37 8.545 6.585 1.137 1.00 0.00 C ATOM 505 C GLU A 37 9.363 6.822 -0.134 1.00 0.00 C ATOM 506 O GLU A 37 10.474 6.310 -0.266 1.00 0.00 O ATOM 507 CB GLU A 37 8.920 7.591 2.226 1.00 0.00 C ATOM 508 CG GLU A 37 7.677 8.080 2.973 1.00 0.00 C ATOM 509 CD GLU A 37 8.013 8.434 4.423 1.00 0.00 C ATOM 510 OE1 GLU A 37 8.625 7.573 5.091 1.00 0.00 O ATOM 511 OE2 GLU A 37 7.651 9.559 4.831 1.00 0.00 O ATOM 0 H GLU A 37 9.665 5.001 1.928 1.00 0.00 H new ATOM 0 HA GLU A 37 7.491 6.732 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.613 7.129 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.437 8.440 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.265 8.953 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.908 7.307 2.952 1.00 0.00 H new ATOM 518 N LYS A 38 8.783 7.598 -1.037 1.00 0.00 N ATOM 519 CA LYS A 38 9.444 7.909 -2.293 1.00 0.00 C ATOM 520 C LYS A 38 8.986 9.285 -2.779 1.00 0.00 C ATOM 521 O LYS A 38 7.842 9.677 -2.554 1.00 0.00 O ATOM 522 CB LYS A 38 9.215 6.789 -3.311 1.00 0.00 C ATOM 523 CG LYS A 38 10.453 6.582 -4.186 1.00 0.00 C ATOM 524 CD LYS A 38 10.181 5.555 -5.286 1.00 0.00 C ATOM 525 CE LYS A 38 11.482 5.122 -5.966 1.00 0.00 C ATOM 526 NZ LYS A 38 11.372 5.266 -7.435 1.00 0.00 N ATOM 0 H LYS A 38 7.862 8.021 -0.924 1.00 0.00 H new ATOM 0 HA LYS A 38 10.523 7.964 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.975 5.862 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.358 7.033 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.749 7.531 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.287 6.247 -3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.682 4.685 -4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.504 5.981 -6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.311 5.726 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.705 4.086 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.263 4.968 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.594 4.671 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.181 6.260 -7.673 1.00 0.00 H new ATOM 540 N GLY A 39 9.902 9.981 -3.436 1.00 0.00 N ATOM 541 CA GLY A 39 9.606 11.305 -3.956 1.00 0.00 C ATOM 542 C GLY A 39 8.844 12.140 -2.926 1.00 0.00 C ATOM 543 O GLY A 39 7.895 12.843 -3.270 1.00 0.00 O ATOM 0 H GLY A 39 10.850 9.653 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.534 11.810 -4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.015 11.218 -4.868 1.00 0.00 H new ATOM 547 N GLY A 40 9.287 12.036 -1.682 1.00 0.00 N ATOM 548 CA GLY A 40 8.659 12.774 -0.599 1.00 0.00 C ATOM 549 C GLY A 40 7.180 12.405 -0.470 1.00 0.00 C ATOM 550 O GLY A 40 6.357 13.241 -0.099 1.00 0.00 O ATOM 0 H GLY A 40 10.074 11.452 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.174 12.561 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.756 13.845 -0.779 1.00 0.00 H new ATOM 554 N LYS A 41 6.886 11.151 -0.784 1.00 0.00 N ATOM 555 CA LYS A 41 5.520 10.661 -0.708 1.00 0.00 C ATOM 556 C LYS A 41 5.489 9.378 0.123 1.00 0.00 C ATOM 557 O LYS A 41 6.514 8.721 0.297 1.00 0.00 O ATOM 558 CB LYS A 41 4.930 10.500 -2.111 1.00 0.00 C ATOM 559 CG LYS A 41 4.420 11.839 -2.649 1.00 0.00 C ATOM 560 CD LYS A 41 2.960 12.068 -2.253 1.00 0.00 C ATOM 561 CE LYS A 41 2.017 11.707 -3.402 1.00 0.00 C ATOM 562 NZ LYS A 41 0.758 12.478 -3.301 1.00 0.00 N ATOM 0 H LYS A 41 7.570 10.460 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 41 4.883 11.385 -0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.688 10.099 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.113 9.779 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.037 12.650 -2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.513 11.858 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.718 11.466 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.815 13.111 -1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.501 11.914 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.799 10.639 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.129 12.221 -4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.289 12.261 -2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.969 13.495 -3.345 1.00 0.00 H new ATOM 576 N VAL A 42 4.301 9.058 0.616 1.00 0.00 N ATOM 577 CA VAL A 42 4.123 7.865 1.425 1.00 0.00 C ATOM 578 C VAL A 42 3.316 6.833 0.634 1.00 0.00 C ATOM 579 O VAL A 42 2.365 7.185 -0.062 1.00 0.00 O ATOM 580 CB VAL A 42 3.476 8.231 2.762 1.00 0.00 C ATOM 581 CG1 VAL A 42 3.008 6.979 3.507 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.431 9.057 3.626 1.00 0.00 C ATOM 0 H VAL A 42 3.452 9.605 0.470 1.00 0.00 H new ATOM 0 HA VAL A 42 5.088 7.415 1.658 1.00 0.00 H new ATOM 0 HB VAL A 42 2.599 8.843 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.552 7.268 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.276 6.446 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.862 6.329 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.946 9.304 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.335 8.481 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.693 9.976 3.102 1.00 0.00 H new ATOM 592 N PHE A 43 3.726 5.580 0.767 1.00 0.00 N ATOM 593 CA PHE A 43 3.054 4.495 0.073 1.00 0.00 C ATOM 594 C PHE A 43 1.900 3.940 0.911 1.00 0.00 C ATOM 595 O PHE A 43 1.788 2.730 1.097 1.00 0.00 O ATOM 596 CB PHE A 43 4.090 3.390 -0.140 1.00 0.00 C ATOM 597 CG PHE A 43 4.998 3.613 -1.351 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.635 4.803 -1.514 1.00 0.00 C ATOM 599 CD2 PHE A 43 5.166 2.621 -2.266 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.477 5.010 -2.638 1.00 0.00 C ATOM 601 CE2 PHE A 43 6.008 2.828 -3.391 1.00 0.00 C ATOM 602 CZ PHE A 43 6.646 4.018 -3.553 1.00 0.00 C ATOM 0 H PHE A 43 4.515 5.292 1.345 1.00 0.00 H new ATOM 0 HA PHE A 43 2.643 4.855 -0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.708 3.308 0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.572 2.438 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.500 5.591 -0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.659 1.676 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.983 5.955 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.142 2.040 -4.118 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.287 4.175 -4.408 1.00 0.00 H new ATOM 612 N SER A 44 1.069 4.853 1.394 1.00 0.00 N ATOM 613 CA SER A 44 -0.072 4.471 2.207 1.00 0.00 C ATOM 614 C SER A 44 -1.332 5.182 1.708 1.00 0.00 C ATOM 615 O SER A 44 -1.579 6.334 2.061 1.00 0.00 O ATOM 616 CB SER A 44 0.170 4.793 3.683 1.00 0.00 C ATOM 617 OG SER A 44 -1.046 4.842 4.425 1.00 0.00 O ATOM 0 H SER A 44 1.164 5.856 1.237 1.00 0.00 H new ATOM 0 HA SER A 44 -0.210 3.394 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.828 4.039 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.684 5.751 3.766 1.00 0.00 H new ATOM 0 HG SER A 44 -0.849 5.049 5.363 1.00 0.00 H new ATOM 623 N ALA A 45 -2.095 4.466 0.896 1.00 0.00 N ATOM 624 CA ALA A 45 -3.323 5.014 0.345 1.00 0.00 C ATOM 625 C ALA A 45 -4.513 4.197 0.852 1.00 0.00 C ATOM 626 O ALA A 45 -4.444 2.971 0.923 1.00 0.00 O ATOM 627 CB ALA A 45 -3.235 5.031 -1.182 1.00 0.00 C ATOM 0 H ALA A 45 -1.887 3.511 0.606 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.466 6.043 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.156 5.442 -1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.392 5.648 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.094 4.015 -1.550 1.00 0.00 H new ATOM 633 N THR A 46 -5.578 4.910 1.190 1.00 0.00 N ATOM 634 CA THR A 46 -6.782 4.267 1.688 1.00 0.00 C ATOM 635 C THR A 46 -7.926 4.428 0.685 1.00 0.00 C ATOM 636 O THR A 46 -8.328 5.547 0.371 1.00 0.00 O ATOM 637 CB THR A 46 -7.095 4.851 3.067 1.00 0.00 C ATOM 638 OG1 THR A 46 -5.997 4.439 3.876 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.309 4.190 3.721 1.00 0.00 C ATOM 0 H THR A 46 -5.632 5.927 1.129 1.00 0.00 H new ATOM 0 HA THR A 46 -6.639 3.192 1.800 1.00 0.00 H new ATOM 0 HB THR A 46 -7.271 5.923 2.976 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.118 4.777 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.487 4.641 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.186 4.333 3.089 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.121 3.123 3.844 1.00 0.00 H new ATOM 647 N LEU A 47 -8.418 3.293 0.211 1.00 0.00 N ATOM 648 CA LEU A 47 -9.509 3.294 -0.750 1.00 0.00 C ATOM 649 C LEU A 47 -10.780 2.780 -0.072 1.00 0.00 C ATOM 650 O LEU A 47 -10.722 2.219 1.021 1.00 0.00 O ATOM 651 CB LEU A 47 -9.119 2.508 -2.004 1.00 0.00 C ATOM 652 CG LEU A 47 -7.788 2.897 -2.652 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.413 1.915 -3.764 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.823 4.342 -3.151 1.00 0.00 C ATOM 0 H LEU A 47 -8.082 2.367 0.474 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.717 4.309 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.080 1.449 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.910 2.628 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.008 2.838 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.464 2.214 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.319 0.912 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.189 1.919 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.865 4.593 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.617 4.453 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.012 5.012 -2.312 1.00 0.00 H new ATOM 666 N GLY A 48 -11.900 2.989 -0.750 1.00 0.00 N ATOM 667 CA GLY A 48 -13.183 2.554 -0.226 1.00 0.00 C ATOM 668 C GLY A 48 -14.188 2.327 -1.358 1.00 0.00 C ATOM 669 O GLY A 48 -14.395 3.205 -2.194 1.00 0.00 O ATOM 0 H GLY A 48 -11.945 3.454 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.055 1.632 0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.571 3.303 0.465 1.00 0.00 H new ATOM 673 N LEU A 49 -14.785 1.144 -1.348 1.00 0.00 N ATOM 674 CA LEU A 49 -15.763 0.791 -2.363 1.00 0.00 C ATOM 675 C LEU A 49 -17.041 0.295 -1.683 1.00 0.00 C ATOM 676 O LEU A 49 -16.979 -0.397 -0.667 1.00 0.00 O ATOM 677 CB LEU A 49 -15.167 -0.209 -3.356 1.00 0.00 C ATOM 678 CG LEU A 49 -15.843 -0.277 -4.727 1.00 0.00 C ATOM 679 CD1 LEU A 49 -17.002 -1.275 -4.717 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.288 1.113 -5.188 1.00 0.00 C ATOM 0 H LEU A 49 -14.610 0.418 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.034 1.667 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -14.116 0.038 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.201 -1.201 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.113 -0.638 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.465 -1.304 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.626 -2.266 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.741 -0.967 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.765 1.037 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.996 1.525 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.420 1.768 -5.259 1.00 0.00 H new ATOM 692 N VAL A 50 -18.168 0.667 -2.271 1.00 0.00 N ATOM 693 CA VAL A 50 -19.459 0.268 -1.734 1.00 0.00 C ATOM 694 C VAL A 50 -20.371 -0.168 -2.883 1.00 0.00 C ATOM 695 O VAL A 50 -20.548 0.567 -3.853 1.00 0.00 O ATOM 696 CB VAL A 50 -20.052 1.404 -0.899 1.00 0.00 C ATOM 697 CG1 VAL A 50 -21.468 1.060 -0.432 1.00 0.00 C ATOM 698 CG2 VAL A 50 -19.149 1.740 0.290 1.00 0.00 C ATOM 0 H VAL A 50 -18.215 1.240 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.347 -0.585 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 50 -20.114 2.288 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -21.866 1.884 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -22.107 0.894 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -21.441 0.156 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.594 2.551 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.040 0.860 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -18.169 2.049 -0.073 1.00 0.00 H new ATOM 708 N ASP A 51 -20.924 -1.363 -2.735 1.00 0.00 N ATOM 709 CA ASP A 51 -21.814 -1.906 -3.747 1.00 0.00 C ATOM 710 C ASP A 51 -23.241 -1.425 -3.478 1.00 0.00 C ATOM 711 O ASP A 51 -23.817 -1.734 -2.436 1.00 0.00 O ATOM 712 CB ASP A 51 -21.816 -3.436 -3.715 1.00 0.00 C ATOM 713 CG ASP A 51 -21.342 -4.110 -5.004 1.00 0.00 C ATOM 714 OD1 ASP A 51 -21.305 -3.404 -6.034 1.00 0.00 O ATOM 715 OD2 ASP A 51 -21.028 -5.318 -4.929 1.00 0.00 O ATOM 0 H ASP A 51 -20.773 -1.970 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 51 -21.463 -1.566 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.180 -3.768 -2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -22.827 -3.779 -3.494 1.00 0.00 H new ATOM 720 N ILE A 52 -23.770 -0.677 -4.435 1.00 0.00 N ATOM 721 CA ILE A 52 -25.119 -0.150 -4.314 1.00 0.00 C ATOM 722 C ILE A 52 -26.121 -1.227 -4.733 1.00 0.00 C ATOM 723 O ILE A 52 -27.229 -1.290 -4.201 1.00 0.00 O ATOM 724 CB ILE A 52 -25.256 1.156 -5.098 1.00 0.00 C ATOM 725 CG1 ILE A 52 -26.691 1.683 -5.038 1.00 0.00 C ATOM 726 CG2 ILE A 52 -24.768 0.986 -6.538 1.00 0.00 C ATOM 727 CD1 ILE A 52 -26.710 3.202 -4.853 1.00 0.00 C ATOM 0 H ILE A 52 -23.289 -0.423 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.338 0.104 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 52 -24.618 1.904 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -27.218 1.418 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -27.223 1.206 -4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -24.877 1.930 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -23.719 0.690 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -25.360 0.217 -7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.742 3.551 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -26.203 3.462 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.198 3.677 -5.690 1.00 0.00 H new ATOM 739 N VAL A 53 -25.697 -2.048 -5.682 1.00 0.00 N ATOM 740 CA VAL A 53 -26.545 -3.119 -6.179 1.00 0.00 C ATOM 741 C VAL A 53 -26.550 -4.269 -5.169 1.00 0.00 C ATOM 742 O VAL A 53 -27.612 -4.710 -4.732 1.00 0.00 O ATOM 743 CB VAL A 53 -26.081 -3.550 -7.572 1.00 0.00 C ATOM 744 CG1 VAL A 53 -26.085 -2.366 -8.541 1.00 0.00 C ATOM 745 CG2 VAL A 53 -24.700 -4.205 -7.512 1.00 0.00 C ATOM 0 H VAL A 53 -24.778 -1.994 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 53 -27.573 -2.774 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 53 -26.787 -4.292 -7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.751 -2.699 -9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -27.095 -1.962 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -25.412 -1.592 -8.172 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -24.394 -4.502 -8.515 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -23.978 -3.496 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.742 -5.085 -6.870 1.00 0.00 H new ATOM 755 N LYS A 54 -25.353 -4.720 -4.828 1.00 0.00 N ATOM 756 CA LYS A 54 -25.206 -5.810 -3.877 1.00 0.00 C ATOM 757 C LYS A 54 -25.491 -5.292 -2.466 1.00 0.00 C ATOM 758 O LYS A 54 -25.641 -6.077 -1.531 1.00 0.00 O ATOM 759 CB LYS A 54 -23.833 -6.469 -4.025 1.00 0.00 C ATOM 760 CG LYS A 54 -23.826 -7.466 -5.186 1.00 0.00 C ATOM 761 CD LYS A 54 -24.486 -8.785 -4.780 1.00 0.00 C ATOM 762 CE LYS A 54 -23.806 -9.972 -5.464 1.00 0.00 C ATOM 763 NZ LYS A 54 -24.780 -11.058 -5.708 1.00 0.00 N ATOM 0 H LYS A 54 -24.475 -4.351 -5.193 1.00 0.00 H new ATOM 0 HA LYS A 54 -25.934 -6.595 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.075 -5.704 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -23.570 -6.981 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -24.353 -7.039 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -22.800 -7.651 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -24.432 -8.905 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -25.543 -8.764 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -23.366 -9.652 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -22.991 -10.340 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -24.301 -11.856 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -25.181 -11.375 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.544 -10.708 -6.321 1.00 0.00 H new ATOM 777 N GLY A 55 -25.557 -3.973 -2.357 1.00 0.00 N ATOM 778 CA GLY A 55 -25.822 -3.341 -1.075 1.00 0.00 C ATOM 779 C GLY A 55 -24.777 -3.751 -0.036 1.00 0.00 C ATOM 780 O GLY A 55 -25.108 -3.978 1.127 1.00 0.00 O ATOM 0 H GLY A 55 -25.432 -3.325 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.818 -2.257 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.816 -3.620 -0.726 1.00 0.00 H new ATOM 784 N THR A 56 -23.535 -3.833 -0.492 1.00 0.00 N ATOM 785 CA THR A 56 -22.440 -4.211 0.384 1.00 0.00 C ATOM 786 C THR A 56 -21.409 -3.083 0.466 1.00 0.00 C ATOM 787 O THR A 56 -21.333 -2.241 -0.426 1.00 0.00 O ATOM 788 CB THR A 56 -21.858 -5.530 -0.129 1.00 0.00 C ATOM 789 OG1 THR A 56 -21.848 -5.377 -1.546 1.00 0.00 O ATOM 790 CG2 THR A 56 -22.794 -6.716 0.111 1.00 0.00 C ATOM 0 H THR A 56 -23.264 -3.644 -1.457 1.00 0.00 H new ATOM 0 HA THR A 56 -22.786 -4.367 1.406 1.00 0.00 H new ATOM 0 HB THR A 56 -20.901 -5.718 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.483 -6.187 -1.960 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.333 -7.627 -0.272 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.978 -6.824 1.180 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.739 -6.544 -0.404 1.00 0.00 H new ATOM 798 N ASN A 57 -20.642 -3.104 1.546 1.00 0.00 N ATOM 799 CA ASN A 57 -19.619 -2.094 1.757 1.00 0.00 C ATOM 800 C ASN A 57 -18.244 -2.765 1.785 1.00 0.00 C ATOM 801 O ASN A 57 -18.070 -3.807 2.414 1.00 0.00 O ATOM 802 CB ASN A 57 -19.821 -1.375 3.093 1.00 0.00 C ATOM 803 CG ASN A 57 -21.057 -0.475 3.049 1.00 0.00 C ATOM 804 OD1 ASN A 57 -22.036 -0.753 2.375 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.959 0.616 3.803 1.00 0.00 N ATOM 0 H ASN A 57 -20.708 -3.805 2.284 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.687 -1.371 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.929 -2.108 3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.940 -0.777 3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -21.732 1.280 3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -20.111 0.788 4.343 1.00 0.00 H new ATOM 812 N SER A 58 -17.302 -2.139 1.094 1.00 0.00 N ATOM 813 CA SER A 58 -15.948 -2.662 1.032 1.00 0.00 C ATOM 814 C SER A 58 -14.939 -1.530 1.234 1.00 0.00 C ATOM 815 O SER A 58 -15.245 -0.368 0.972 1.00 0.00 O ATOM 816 CB SER A 58 -15.691 -3.370 -0.301 1.00 0.00 C ATOM 817 OG SER A 58 -16.630 -4.415 -0.539 1.00 0.00 O ATOM 0 H SER A 58 -17.450 -1.275 0.573 1.00 0.00 H new ATOM 0 HA SER A 58 -15.828 -3.394 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.742 -2.644 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.682 -3.782 -0.304 1.00 0.00 H new ATOM 0 HG SER A 58 -16.434 -4.841 -1.399 1.00 0.00 H new ATOM 823 N TYR A 59 -13.758 -1.909 1.699 1.00 0.00 N ATOM 824 CA TYR A 59 -12.702 -0.939 1.940 1.00 0.00 C ATOM 825 C TYR A 59 -11.322 -1.581 1.782 1.00 0.00 C ATOM 826 O TYR A 59 -11.055 -2.635 2.356 1.00 0.00 O ATOM 827 CB TYR A 59 -12.875 -0.479 3.389 1.00 0.00 C ATOM 828 CG TYR A 59 -12.261 -1.428 4.420 1.00 0.00 C ATOM 829 CD1 TYR A 59 -10.914 -1.355 4.708 1.00 0.00 C ATOM 830 CD2 TYR A 59 -13.056 -2.356 5.062 1.00 0.00 C ATOM 831 CE1 TYR A 59 -10.336 -2.248 5.679 1.00 0.00 C ATOM 832 CE2 TYR A 59 -12.479 -3.249 6.033 1.00 0.00 C ATOM 833 CZ TYR A 59 -11.147 -3.151 6.294 1.00 0.00 C ATOM 834 OH TYR A 59 -10.602 -3.994 7.211 1.00 0.00 O ATOM 0 H TYR A 59 -13.508 -2.874 1.915 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.768 -0.115 1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.423 0.506 3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.939 -0.369 3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.293 -0.628 4.205 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.111 -2.412 4.836 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.283 -2.202 5.914 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.089 -3.980 6.543 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.299 -4.583 7.569 1.00 0.00 H new ATOM 844 N TYR A 60 -10.482 -0.917 1.001 1.00 0.00 N ATOM 845 CA TYR A 60 -9.137 -1.409 0.761 1.00 0.00 C ATOM 846 C TYR A 60 -8.092 -0.466 1.361 1.00 0.00 C ATOM 847 O TYR A 60 -8.361 0.718 1.561 1.00 0.00 O ATOM 848 CB TYR A 60 -8.964 -1.440 -0.759 1.00 0.00 C ATOM 849 CG TYR A 60 -7.745 -2.235 -1.231 1.00 0.00 C ATOM 850 CD1 TYR A 60 -7.835 -3.602 -1.396 1.00 0.00 C ATOM 851 CD2 TYR A 60 -6.556 -1.585 -1.492 1.00 0.00 C ATOM 852 CE1 TYR A 60 -6.687 -4.350 -1.841 1.00 0.00 C ATOM 853 CE2 TYR A 60 -5.409 -2.333 -1.937 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.531 -3.679 -2.089 1.00 0.00 C ATOM 855 OH TYR A 60 -4.448 -4.386 -2.508 1.00 0.00 O ATOM 0 H TYR A 60 -10.707 -0.043 0.527 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.000 -2.389 1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.860 -1.869 -1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.882 -0.417 -1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.765 -4.111 -1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.486 -0.515 -1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.744 -5.420 -1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.473 -1.836 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.693 -3.777 -2.647 1.00 0.00 H new ATOM 865 N LYS A 61 -6.923 -1.025 1.633 1.00 0.00 N ATOM 866 CA LYS A 61 -5.837 -0.249 2.207 1.00 0.00 C ATOM 867 C LYS A 61 -4.511 -0.705 1.595 1.00 0.00 C ATOM 868 O LYS A 61 -4.221 -1.900 1.551 1.00 0.00 O ATOM 869 CB LYS A 61 -5.869 -0.330 3.735 1.00 0.00 C ATOM 870 CG LYS A 61 -6.032 1.059 4.354 1.00 0.00 C ATOM 871 CD LYS A 61 -4.671 1.719 4.587 1.00 0.00 C ATOM 872 CE LYS A 61 -4.304 1.710 6.072 1.00 0.00 C ATOM 873 NZ LYS A 61 -3.386 0.589 6.372 1.00 0.00 N ATOM 0 H LYS A 61 -6.703 -2.007 1.466 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.954 0.807 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.691 -0.972 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.949 -0.788 4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.636 1.685 3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.568 0.979 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.905 1.193 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.693 2.745 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.833 2.655 6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.207 1.620 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.838 -0.058 7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.167 0.075 5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.506 0.961 6.783 1.00 0.00 H new ATOM 887 N LEU A 62 -3.740 0.271 1.138 1.00 0.00 N ATOM 888 CA LEU A 62 -2.451 -0.015 0.531 1.00 0.00 C ATOM 889 C LEU A 62 -1.336 0.436 1.475 1.00 0.00 C ATOM 890 O LEU A 62 -1.454 1.468 2.134 1.00 0.00 O ATOM 891 CB LEU A 62 -2.366 0.609 -0.864 1.00 0.00 C ATOM 892 CG LEU A 62 -2.271 -0.373 -2.033 1.00 0.00 C ATOM 893 CD1 LEU A 62 -1.226 0.086 -3.052 1.00 0.00 C ATOM 894 CD2 LEU A 62 -2.000 -1.794 -1.535 1.00 0.00 C ATOM 0 H LEU A 62 -3.983 1.261 1.176 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.329 -1.088 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.244 1.237 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.496 1.265 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.234 -0.389 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.179 -0.630 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.503 1.066 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.251 0.150 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.937 -2.472 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.059 -1.814 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.811 -2.110 -0.878 1.00 0.00 H new ATOM 906 N GLN A 63 -0.277 -0.360 1.512 1.00 0.00 N ATOM 907 CA GLN A 63 0.859 -0.055 2.365 1.00 0.00 C ATOM 908 C GLN A 63 2.089 -0.845 1.913 1.00 0.00 C ATOM 909 O GLN A 63 2.052 -2.073 1.845 1.00 0.00 O ATOM 910 CB GLN A 63 0.534 -0.339 3.833 1.00 0.00 C ATOM 911 CG GLN A 63 -0.440 0.702 4.390 1.00 0.00 C ATOM 912 CD GLN A 63 -0.340 0.786 5.914 1.00 0.00 C ATOM 913 OE1 GLN A 63 -0.951 0.024 6.645 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.463 1.752 6.351 1.00 0.00 N ATOM 0 H GLN A 63 -0.182 -1.216 0.965 1.00 0.00 H new ATOM 0 HA GLN A 63 1.081 1.008 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.101 -1.335 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.452 -0.334 4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.224 1.677 3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.459 0.442 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.945 2.355 5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.597 1.890 7.353 1.00 0.00 H new ATOM 923 N LEU A 64 3.149 -0.109 1.617 1.00 0.00 N ATOM 924 CA LEU A 64 4.388 -0.725 1.174 1.00 0.00 C ATOM 925 C LEU A 64 5.445 -0.584 2.271 1.00 0.00 C ATOM 926 O LEU A 64 6.071 0.466 2.403 1.00 0.00 O ATOM 927 CB LEU A 64 4.822 -0.147 -0.175 1.00 0.00 C ATOM 928 CG LEU A 64 5.819 -0.987 -0.976 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.162 -0.312 -2.305 1.00 0.00 C ATOM 930 CD2 LEU A 64 7.069 -1.291 -0.148 1.00 0.00 C ATOM 0 H LEU A 64 3.176 0.909 1.675 1.00 0.00 H new ATOM 0 HA LEU A 64 4.243 -1.792 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.932 0.005 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.261 0.835 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 64 5.349 -1.942 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.872 -0.930 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.254 -0.190 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.604 0.666 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.761 -1.889 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.551 -0.357 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.786 -1.844 0.748 1.00 0.00 H new ATOM 942 N LEU A 65 5.609 -1.657 3.031 1.00 0.00 N ATOM 943 CA LEU A 65 6.579 -1.666 4.114 1.00 0.00 C ATOM 944 C LEU A 65 7.980 -1.870 3.535 1.00 0.00 C ATOM 945 O LEU A 65 8.176 -2.704 2.652 1.00 0.00 O ATOM 946 CB LEU A 65 6.192 -2.702 5.170 1.00 0.00 C ATOM 947 CG LEU A 65 4.727 -2.698 5.610 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.490 -3.703 6.739 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.273 -1.288 5.993 1.00 0.00 C ATOM 0 H LEU A 65 5.087 -2.526 2.919 1.00 0.00 H new ATOM 0 HA LEU A 65 6.584 -0.706 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.432 -3.692 4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.815 -2.544 6.050 1.00 0.00 H new ATOM 0 HG LEU A 65 4.116 -3.014 4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.441 -3.680 7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.748 -4.704 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.112 -3.442 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.228 -1.314 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.886 -0.919 6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.381 -0.625 5.135 1.00 0.00 H new ATOM 961 N GLU A 66 8.920 -1.095 4.057 1.00 0.00 N ATOM 962 CA GLU A 66 10.297 -1.180 3.603 1.00 0.00 C ATOM 963 C GLU A 66 11.226 -1.482 4.781 1.00 0.00 C ATOM 964 O GLU A 66 11.051 -0.937 5.870 1.00 0.00 O ATOM 965 CB GLU A 66 10.720 0.104 2.887 1.00 0.00 C ATOM 966 CG GLU A 66 12.230 0.322 2.996 1.00 0.00 C ATOM 967 CD GLU A 66 12.650 1.615 2.294 1.00 0.00 C ATOM 968 OE1 GLU A 66 12.249 2.688 2.794 1.00 0.00 O ATOM 969 OE2 GLU A 66 13.362 1.500 1.273 1.00 0.00 O ATOM 0 H GLU A 66 8.754 -0.405 4.790 1.00 0.00 H new ATOM 0 HA GLU A 66 10.372 -1.998 2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.432 0.051 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.194 0.955 3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.520 0.363 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.756 -0.524 2.553 1.00 0.00 H new ATOM 976 N ASP A 67 12.195 -2.348 4.523 1.00 0.00 N ATOM 977 CA ASP A 67 13.151 -2.729 5.549 1.00 0.00 C ATOM 978 C ASP A 67 13.924 -1.489 6.004 1.00 0.00 C ATOM 979 O ASP A 67 14.339 -0.675 5.181 1.00 0.00 O ATOM 980 CB ASP A 67 14.161 -3.744 5.010 1.00 0.00 C ATOM 981 CG ASP A 67 15.483 -3.811 5.779 1.00 0.00 C ATOM 982 OD1 ASP A 67 15.411 -3.931 7.021 1.00 0.00 O ATOM 983 OD2 ASP A 67 16.534 -3.742 5.107 1.00 0.00 O ATOM 0 H ASP A 67 12.339 -2.797 3.618 1.00 0.00 H new ATOM 0 HA ASP A 67 12.599 -3.174 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.701 -4.732 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.375 -3.503 3.969 1.00 0.00 H new ATOM 988 N ASP A 68 14.093 -1.385 7.314 1.00 0.00 N ATOM 989 CA ASP A 68 14.809 -0.258 7.889 1.00 0.00 C ATOM 990 C ASP A 68 16.220 -0.203 7.301 1.00 0.00 C ATOM 991 O ASP A 68 16.744 0.878 7.037 1.00 0.00 O ATOM 992 CB ASP A 68 14.934 -0.402 9.407 1.00 0.00 C ATOM 993 CG ASP A 68 14.635 0.869 10.204 1.00 0.00 C ATOM 994 OD1 ASP A 68 15.369 1.858 9.991 1.00 0.00 O ATOM 995 OD2 ASP A 68 13.678 0.823 11.008 1.00 0.00 O ATOM 0 H ASP A 68 13.747 -2.062 7.994 1.00 0.00 H new ATOM 0 HA ASP A 68 14.252 0.650 7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.257 -1.189 9.739 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.946 -0.731 9.643 1.00 0.00 H new ATOM 1051 N ARG A 72 15.074 -5.220 2.167 1.00 0.00 N ATOM 1052 CA ARG A 72 13.912 -6.088 2.074 1.00 0.00 C ATOM 1053 C ARG A 72 12.627 -5.273 2.234 1.00 0.00 C ATOM 1054 O ARG A 72 12.570 -4.349 3.044 1.00 0.00 O ATOM 1055 CB ARG A 72 13.952 -7.180 3.145 1.00 0.00 C ATOM 1056 CG ARG A 72 13.452 -8.514 2.587 1.00 0.00 C ATOM 1057 CD ARG A 72 14.073 -9.691 3.342 1.00 0.00 C ATOM 1058 NE ARG A 72 15.130 -10.320 2.519 1.00 0.00 N ATOM 1059 CZ ARG A 72 15.870 -11.364 2.915 1.00 0.00 C ATOM 1060 NH1 ARG A 72 15.673 -11.903 4.126 1.00 0.00 N ATOM 1061 NH2 ARG A 72 16.807 -11.869 2.101 1.00 0.00 N ATOM 0 HA ARG A 72 13.928 -6.559 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.971 -7.295 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.337 -6.884 3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.366 -8.560 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.700 -8.585 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.493 -9.346 4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.304 -10.425 3.584 1.00 0.00 H new ATOM 0 HE ARG A 72 15.306 -9.934 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.960 -11.518 4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.236 -12.698 4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.957 -11.458 1.179 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.370 -12.664 2.403 1.00 0.00 H new ATOM 1075 N TYR A 73 11.627 -5.645 1.448 1.00 0.00 N ATOM 1076 CA TYR A 73 10.346 -4.961 1.492 1.00 0.00 C ATOM 1077 C TYR A 73 9.189 -5.962 1.505 1.00 0.00 C ATOM 1078 O TYR A 73 9.381 -7.141 1.212 1.00 0.00 O ATOM 1079 CB TYR A 73 10.269 -4.126 0.212 1.00 0.00 C ATOM 1080 CG TYR A 73 11.355 -3.054 0.102 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.664 -3.419 -0.135 1.00 0.00 C ATOM 1082 CD2 TYR A 73 11.024 -1.721 0.241 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.686 -2.409 -0.238 1.00 0.00 C ATOM 1084 CE2 TYR A 73 12.046 -0.711 0.137 1.00 0.00 C ATOM 1085 CZ TYR A 73 13.326 -1.105 -0.097 1.00 0.00 C ATOM 1086 OH TYR A 73 14.291 -0.152 -0.195 1.00 0.00 O ATOM 0 H TYR A 73 11.678 -6.411 0.777 1.00 0.00 H new ATOM 0 HA TYR A 73 10.267 -4.353 2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.341 -4.791 -0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.292 -3.645 0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.923 -4.462 -0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.999 -1.435 0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.715 -2.681 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.801 0.336 0.243 1.00 0.00 H new ATOM 0 HH TYR A 73 14.306 0.384 0.625 1.00 0.00 H new ATOM 1096 N TRP A 74 8.014 -5.455 1.847 1.00 0.00 N ATOM 1097 CA TRP A 74 6.826 -6.290 1.901 1.00 0.00 C ATOM 1098 C TRP A 74 5.674 -5.517 1.257 1.00 0.00 C ATOM 1099 O TRP A 74 5.740 -4.296 1.122 1.00 0.00 O ATOM 1100 CB TRP A 74 6.526 -6.724 3.338 1.00 0.00 C ATOM 1101 CG TRP A 74 7.500 -7.766 3.890 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.309 -9.086 4.022 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.834 -7.520 4.382 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.417 -9.706 4.561 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.375 -8.724 4.787 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.561 -6.321 4.481 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.664 -8.845 5.318 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.848 -6.459 5.014 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.406 -7.663 5.427 1.00 0.00 C ATOM 0 H TRP A 74 7.859 -4.476 2.090 1.00 0.00 H new ATOM 0 HA TRP A 74 6.979 -7.214 1.344 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.546 -5.846 3.983 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.515 -7.129 3.381 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.401 -9.600 3.742 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.515 -10.702 4.758 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.158 -5.368 4.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 11.065 -9.799 5.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.450 -5.567 5.111 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.408 -7.687 5.830 1.00 0.00 H new ATOM 1120 N ILE A 75 4.645 -6.259 0.876 1.00 0.00 N ATOM 1121 CA ILE A 75 3.480 -5.658 0.249 1.00 0.00 C ATOM 1122 C ILE A 75 2.241 -5.953 1.097 1.00 0.00 C ATOM 1123 O ILE A 75 1.716 -7.065 1.070 1.00 0.00 O ATOM 1124 CB ILE A 75 3.355 -6.120 -1.204 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.231 -5.270 -2.127 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.892 -6.131 -1.652 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.587 -3.908 -2.393 1.00 0.00 C ATOM 0 H ILE A 75 4.594 -7.271 0.989 1.00 0.00 H new ATOM 0 HA ILE A 75 3.587 -4.574 0.206 1.00 0.00 H new ATOM 0 HB ILE A 75 3.719 -7.145 -1.269 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.213 -5.130 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.386 -5.793 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.831 -6.463 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.323 -6.812 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.478 -5.126 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.230 -3.324 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.616 -4.051 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.456 -3.377 -1.450 1.00 0.00 H new ATOM 1139 N PHE A 76 1.809 -4.937 1.830 1.00 0.00 N ATOM 1140 CA PHE A 76 0.641 -5.074 2.684 1.00 0.00 C ATOM 1141 C PHE A 76 -0.633 -4.674 1.937 1.00 0.00 C ATOM 1142 O PHE A 76 -0.647 -3.682 1.211 1.00 0.00 O ATOM 1143 CB PHE A 76 0.841 -4.128 3.869 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.267 -4.205 4.921 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.185 -5.114 5.930 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.335 -3.366 4.847 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.214 -5.186 6.906 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.363 -3.438 5.823 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.281 -4.346 6.832 1.00 0.00 C ATOM 0 H PHE A 76 2.247 -4.016 1.850 1.00 0.00 H new ATOM 0 HA PHE A 76 0.533 -6.110 3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.795 -4.354 4.344 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.905 -3.105 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.663 -5.781 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.401 -2.645 4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.149 -5.908 7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.211 -2.771 5.764 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.063 -4.400 7.575 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.674 -5.468 2.143 1.00 0.00 N ATOM 1160 CA ARG A 77 -2.951 -5.210 1.498 1.00 0.00 C ATOM 1161 C ARG A 77 -4.101 -5.678 2.393 1.00 0.00 C ATOM 1162 O ARG A 77 -4.235 -6.870 2.664 1.00 0.00 O ATOM 1163 CB ARG A 77 -3.041 -5.924 0.148 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.653 -6.329 -0.351 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.754 -7.202 -1.604 1.00 0.00 C ATOM 1166 NE ARG A 77 -0.589 -8.112 -1.682 1.00 0.00 N ATOM 1167 CZ ARG A 77 -0.230 -8.780 -2.786 1.00 0.00 C ATOM 1168 NH1 ARG A 77 -0.943 -8.644 -3.913 1.00 0.00 N ATOM 1169 NH2 ARG A 77 0.841 -9.584 -2.765 1.00 0.00 N ATOM 0 H ARG A 77 -1.659 -6.290 2.747 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.028 -4.135 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.670 -6.809 0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.518 -5.270 -0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.067 -5.437 -0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.125 -6.872 0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.677 -7.781 -1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.795 -6.573 -2.493 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.024 -8.238 -0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.759 -8.032 -3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.670 -9.153 -4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.384 -9.688 -1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.114 -10.092 -3.606 1.00 0.00 H new ATOM 1183 N SER A 78 -4.901 -4.714 2.826 1.00 0.00 N ATOM 1184 CA SER A 78 -6.035 -5.013 3.684 1.00 0.00 C ATOM 1185 C SER A 78 -7.341 -4.810 2.913 1.00 0.00 C ATOM 1186 O SER A 78 -7.445 -3.905 2.087 1.00 0.00 O ATOM 1187 CB SER A 78 -6.019 -4.140 4.940 1.00 0.00 C ATOM 1188 OG SER A 78 -6.872 -3.006 4.814 1.00 0.00 O ATOM 0 H SER A 78 -4.786 -3.726 2.599 1.00 0.00 H new ATOM 0 HA SER A 78 -5.963 -6.055 3.997 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.331 -4.735 5.799 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.000 -3.807 5.137 1.00 0.00 H new ATOM 0 HG SER A 78 -6.716 -2.395 5.564 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.306 -5.668 3.211 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.601 -5.595 2.557 1.00 0.00 C ATOM 1196 C TRP A 79 -10.647 -6.170 3.514 1.00 0.00 C ATOM 1197 O TRP A 79 -10.311 -6.625 4.606 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.573 -6.308 1.204 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.262 -7.803 1.294 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -10.081 -8.795 1.671 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -8.005 -8.440 0.986 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.446 -10.019 1.628 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -8.143 -9.797 1.198 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.790 -7.889 0.542 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -7.106 -10.715 0.992 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.763 -8.819 0.342 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.887 -10.188 0.550 1.00 0.00 C ATOM 0 H TRP A 79 -8.216 -6.418 3.897 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.863 -4.560 2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.539 -6.177 0.716 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.827 -5.830 0.569 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.109 -8.654 1.971 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.857 -10.921 1.868 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.659 -6.831 0.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.240 -11.773 1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.808 -8.447 0.002 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -5.046 -10.842 0.371 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.895 -6.130 3.070 1.00 0.00 N ATOM 1219 CA GLY A 80 -12.992 -6.641 3.873 1.00 0.00 C ATOM 1220 C GLY A 80 -14.182 -5.679 3.852 1.00 0.00 C ATOM 1221 O GLY A 80 -14.114 -4.615 3.238 1.00 0.00 O ATOM 0 H GLY A 80 -12.170 -5.751 2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.301 -7.615 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.658 -6.789 4.900 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.245 -6.088 4.530 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.447 -5.275 4.596 1.00 0.00 C ATOM 1227 C ARG A 81 -16.276 -4.156 5.626 1.00 0.00 C ATOM 1228 O ARG A 81 -15.278 -4.117 6.345 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.664 -6.123 4.973 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.354 -6.678 3.725 1.00 0.00 C ATOM 1231 CD ARG A 81 -19.865 -6.789 3.937 1.00 0.00 C ATOM 1232 NE ARG A 81 -20.417 -5.478 4.344 1.00 0.00 N ATOM 1233 CZ ARG A 81 -21.621 -5.312 4.907 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -22.407 -6.374 5.133 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -22.040 -4.085 5.244 1.00 0.00 N ATOM 0 H ARG A 81 -15.298 -6.971 5.038 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.610 -4.843 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.353 -6.946 5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.369 -5.520 5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.149 -6.029 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.944 -7.659 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -20.346 -7.126 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -20.079 -7.536 4.701 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.845 -4.649 4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -22.088 -7.308 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -23.324 -6.248 5.562 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.442 -3.277 5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -22.957 -3.959 5.673 1.00 0.00 H new ATOM 1328 N SER A 88 -9.724 -9.292 6.027 1.00 0.00 N ATOM 1329 CA SER A 88 -8.490 -10.044 5.874 1.00 0.00 C ATOM 1330 C SER A 88 -7.385 -9.133 5.336 1.00 0.00 C ATOM 1331 O SER A 88 -7.656 -8.017 4.895 1.00 0.00 O ATOM 1332 CB SER A 88 -8.688 -11.244 4.946 1.00 0.00 C ATOM 1333 OG SER A 88 -8.962 -12.440 5.671 1.00 0.00 O ATOM 0 HA SER A 88 -8.196 -10.421 6.853 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.510 -11.040 4.260 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.793 -11.385 4.339 1.00 0.00 H new ATOM 0 HG SER A 88 -9.084 -13.183 5.043 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.164 -9.643 5.389 1.00 0.00 N ATOM 1340 CA ASN A 89 -5.017 -8.889 4.912 1.00 0.00 C ATOM 1341 C ASN A 89 -4.076 -9.827 4.152 1.00 0.00 C ATOM 1342 O ASN A 89 -4.344 -11.022 4.038 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.236 -8.278 6.077 1.00 0.00 C ATOM 1344 CG ASN A 89 -4.056 -9.292 7.208 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -5.007 -9.807 7.772 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -2.785 -9.549 7.507 1.00 0.00 N ATOM 0 H ASN A 89 -5.943 -10.569 5.755 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.383 -8.091 4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.260 -7.940 5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.762 -7.400 6.451 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.560 -10.212 8.248 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.036 -9.083 6.995 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.993 -9.249 3.652 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.011 -10.018 2.907 1.00 0.00 C ATOM 1355 C LYS A 90 -0.639 -9.355 3.045 1.00 0.00 C ATOM 1356 O LYS A 90 -0.493 -8.162 2.783 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.463 -10.201 1.457 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.314 -10.712 0.585 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.692 -12.023 -0.108 1.00 0.00 C ATOM 1360 CE LYS A 90 -2.139 -11.772 -1.549 1.00 0.00 C ATOM 1361 NZ LYS A 90 -3.355 -10.929 -1.575 1.00 0.00 N ATOM 0 H LYS A 90 -2.774 -8.257 3.748 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.922 -11.023 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.295 -10.904 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.829 -9.252 1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.059 -9.961 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.426 -10.864 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.839 -12.701 -0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.493 -12.513 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.339 -11.283 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.337 -12.722 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.625 -10.740 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.131 -11.425 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.164 -10.029 -1.090 1.00 0.00 H new ATOM 1375 N LEU A 91 0.331 -10.157 3.457 1.00 0.00 N ATOM 1376 CA LEU A 91 1.686 -9.663 3.633 1.00 0.00 C ATOM 1377 C LEU A 91 2.651 -10.532 2.822 1.00 0.00 C ATOM 1378 O LEU A 91 2.899 -11.684 3.173 1.00 0.00 O ATOM 1379 CB LEU A 91 2.037 -9.579 5.120 1.00 0.00 C ATOM 1380 CG LEU A 91 3.372 -8.912 5.457 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.317 -7.407 5.185 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.790 -9.219 6.897 1.00 0.00 C ATOM 0 H LEU A 91 0.206 -11.146 3.674 1.00 0.00 H new ATOM 0 HA LEU A 91 1.773 -8.646 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.242 -9.035 5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.045 -10.589 5.529 1.00 0.00 H new ATOM 0 HG LEU A 91 4.137 -9.330 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.278 -6.957 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.097 -7.235 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.536 -6.955 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.742 -8.733 7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.030 -8.846 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.896 -10.296 7.023 1.00 0.00 H new ATOM 1394 N GLU A 92 3.167 -9.945 1.752 1.00 0.00 N ATOM 1395 CA GLU A 92 4.099 -10.651 0.888 1.00 0.00 C ATOM 1396 C GLU A 92 5.430 -9.901 0.819 1.00 0.00 C ATOM 1397 O GLU A 92 5.452 -8.677 0.693 1.00 0.00 O ATOM 1398 CB GLU A 92 3.508 -10.850 -0.509 1.00 0.00 C ATOM 1399 CG GLU A 92 2.208 -11.655 -0.445 1.00 0.00 C ATOM 1400 CD GLU A 92 2.115 -12.639 -1.613 1.00 0.00 C ATOM 1401 OE1 GLU A 92 1.729 -12.183 -2.710 1.00 0.00 O ATOM 1402 OE2 GLU A 92 2.433 -13.826 -1.381 1.00 0.00 O ATOM 0 H GLU A 92 2.958 -8.989 1.464 1.00 0.00 H new ATOM 0 HA GLU A 92 4.282 -11.638 1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.317 -9.880 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.229 -11.367 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.159 -12.199 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.355 -10.977 -0.467 1.00 0.00 H new ATOM 1409 N GLN A 93 6.509 -10.666 0.903 1.00 0.00 N ATOM 1410 CA GLN A 93 7.841 -10.089 0.851 1.00 0.00 C ATOM 1411 C GLN A 93 8.286 -9.909 -0.602 1.00 0.00 C ATOM 1412 O GLN A 93 8.312 -10.869 -1.370 1.00 0.00 O ATOM 1413 CB GLN A 93 8.841 -10.948 1.628 1.00 0.00 C ATOM 1414 CG GLN A 93 10.254 -10.368 1.530 1.00 0.00 C ATOM 1415 CD GLN A 93 11.076 -11.102 0.469 1.00 0.00 C ATOM 1416 OE1 GLN A 93 10.655 -11.287 -0.661 1.00 0.00 O ATOM 1417 NE2 GLN A 93 12.269 -11.508 0.894 1.00 0.00 N ATOM 0 H GLN A 93 6.487 -11.680 1.007 1.00 0.00 H new ATOM 0 HA GLN A 93 7.809 -9.108 1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.540 -11.007 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.834 -11.965 1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.199 -9.308 1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.750 -10.445 2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.560 -11.320 1.854 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.893 -12.007 0.260 1.00 0.00 H new ATOM 1426 N MET A 94 8.623 -8.672 -0.935 1.00 0.00 N ATOM 1427 CA MET A 94 9.065 -8.354 -2.282 1.00 0.00 C ATOM 1428 C MET A 94 10.562 -8.624 -2.447 1.00 0.00 C ATOM 1429 O MET A 94 11.316 -8.573 -1.476 1.00 0.00 O ATOM 1430 CB MET A 94 8.776 -6.881 -2.580 1.00 0.00 C ATOM 1431 CG MET A 94 7.347 -6.511 -2.180 1.00 0.00 C ATOM 1432 SD MET A 94 6.207 -7.752 -2.769 1.00 0.00 S ATOM 1433 CE MET A 94 6.000 -7.206 -4.456 1.00 0.00 C ATOM 0 H MET A 94 8.599 -7.878 -0.295 1.00 0.00 H new ATOM 0 HA MET A 94 8.521 -8.989 -2.981 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.483 -6.251 -2.040 1.00 0.00 H new ATOM 0 HB3 MET A 94 8.922 -6.686 -3.642 1.00 0.00 H new ATOM 0 HG2 MET A 94 7.275 -6.425 -1.096 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.085 -5.538 -2.595 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.313 -7.875 -4.973 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.596 -6.194 -4.464 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.965 -7.215 -4.962 1.00 0.00 H new ATOM 1443 N PRO A 95 10.958 -8.913 -3.715 1.00 0.00 N ATOM 1444 CA PRO A 95 12.351 -9.192 -4.019 1.00 0.00 C ATOM 1445 C PRO A 95 13.181 -7.906 -4.016 1.00 0.00 C ATOM 1446 O PRO A 95 14.169 -7.802 -3.292 1.00 0.00 O ATOM 1447 CB PRO A 95 12.328 -9.880 -5.374 1.00 0.00 C ATOM 1448 CG PRO A 95 10.978 -9.547 -5.988 1.00 0.00 C ATOM 1449 CD PRO A 95 10.093 -8.982 -4.889 1.00 0.00 C ATOM 0 HA PRO A 95 12.825 -9.828 -3.272 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.142 -9.526 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.453 -10.957 -5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.094 -8.823 -6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.526 -10.439 -6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.709 -7.997 -5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.230 -9.622 -4.708 1.00 0.00 H new ATOM 1457 N SER A 96 12.747 -6.958 -4.835 1.00 0.00 N ATOM 1458 CA SER A 96 13.437 -5.683 -4.936 1.00 0.00 C ATOM 1459 C SER A 96 12.494 -4.545 -4.540 1.00 0.00 C ATOM 1460 O SER A 96 11.275 -4.693 -4.605 1.00 0.00 O ATOM 1461 CB SER A 96 13.975 -5.459 -6.350 1.00 0.00 C ATOM 1462 OG SER A 96 14.866 -6.496 -6.753 1.00 0.00 O ATOM 0 H SER A 96 11.926 -7.048 -5.434 1.00 0.00 H new ATOM 0 HA SER A 96 14.285 -5.698 -4.252 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.142 -5.405 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 96 14.491 -4.500 -6.394 1.00 0.00 H new ATOM 0 HG SER A 96 15.186 -6.317 -7.662 1.00 0.00 H new ATOM 1468 N LYS A 97 13.095 -3.435 -4.137 1.00 0.00 N ATOM 1469 CA LYS A 97 12.324 -2.272 -3.731 1.00 0.00 C ATOM 1470 C LYS A 97 11.360 -1.887 -4.854 1.00 0.00 C ATOM 1471 O LYS A 97 10.178 -1.649 -4.609 1.00 0.00 O ATOM 1472 CB LYS A 97 13.255 -1.136 -3.302 1.00 0.00 C ATOM 1473 CG LYS A 97 12.464 0.144 -3.020 1.00 0.00 C ATOM 1474 CD LYS A 97 13.087 1.343 -3.737 1.00 0.00 C ATOM 1475 CE LYS A 97 13.454 2.446 -2.742 1.00 0.00 C ATOM 1476 NZ LYS A 97 14.909 2.717 -2.781 1.00 0.00 N ATOM 0 H LYS A 97 14.107 -3.316 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 97 11.717 -2.503 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.807 -1.431 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.990 -0.948 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.432 0.017 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.438 0.331 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.978 1.025 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.387 1.733 -4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.902 3.356 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.161 2.148 -1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.141 3.468 -2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.430 1.852 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.180 3.022 -3.738 1.00 0.00 H new ATOM 1490 N GLU A 98 11.900 -1.837 -6.063 1.00 0.00 N ATOM 1491 CA GLU A 98 11.102 -1.484 -7.225 1.00 0.00 C ATOM 1492 C GLU A 98 9.942 -2.468 -7.391 1.00 0.00 C ATOM 1493 O GLU A 98 8.782 -2.062 -7.444 1.00 0.00 O ATOM 1494 CB GLU A 98 11.964 -1.436 -8.488 1.00 0.00 C ATOM 1495 CG GLU A 98 12.952 -0.269 -8.434 1.00 0.00 C ATOM 1496 CD GLU A 98 12.940 0.522 -9.744 1.00 0.00 C ATOM 1497 OE1 GLU A 98 12.998 -0.137 -10.804 1.00 0.00 O ATOM 1498 OE2 GLU A 98 12.873 1.767 -9.655 1.00 0.00 O ATOM 0 H GLU A 98 12.880 -2.035 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 98 10.689 -0.488 -7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.509 -2.374 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.325 -1.336 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.696 0.390 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.956 -0.647 -8.243 1.00 0.00 H new ATOM 1505 N ASP A 99 10.295 -3.743 -7.467 1.00 0.00 N ATOM 1506 CA ASP A 99 9.297 -4.787 -7.625 1.00 0.00 C ATOM 1507 C ASP A 99 8.195 -4.596 -6.581 1.00 0.00 C ATOM 1508 O ASP A 99 7.061 -5.027 -6.785 1.00 0.00 O ATOM 1509 CB ASP A 99 9.913 -6.172 -7.415 1.00 0.00 C ATOM 1510 CG ASP A 99 10.841 -6.644 -8.536 1.00 0.00 C ATOM 1511 OD1 ASP A 99 10.349 -6.729 -9.682 1.00 0.00 O ATOM 1512 OD2 ASP A 99 12.021 -6.910 -8.221 1.00 0.00 O ATOM 0 H ASP A 99 11.258 -4.076 -7.422 1.00 0.00 H new ATOM 0 HA ASP A 99 8.895 -4.720 -8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.472 -6.166 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.108 -6.898 -7.301 1.00 0.00 H new ATOM 1517 N ALA A 100 8.567 -3.951 -5.486 1.00 0.00 N ATOM 1518 CA ALA A 100 7.624 -3.697 -4.410 1.00 0.00 C ATOM 1519 C ALA A 100 6.773 -2.476 -4.761 1.00 0.00 C ATOM 1520 O ALA A 100 5.561 -2.476 -4.546 1.00 0.00 O ATOM 1521 CB ALA A 100 8.386 -3.519 -3.095 1.00 0.00 C ATOM 0 H ALA A 100 9.509 -3.596 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 100 6.949 -4.543 -4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.679 -3.328 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.951 -4.425 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.072 -2.676 -3.183 1.00 0.00 H new ATOM 1527 N ILE A 101 7.440 -1.463 -5.295 1.00 0.00 N ATOM 1528 CA ILE A 101 6.759 -0.237 -5.677 1.00 0.00 C ATOM 1529 C ILE A 101 5.783 -0.536 -6.817 1.00 0.00 C ATOM 1530 O ILE A 101 4.606 -0.188 -6.738 1.00 0.00 O ATOM 1531 CB ILE A 101 7.774 0.858 -6.008 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.467 1.365 -4.741 1.00 0.00 C ATOM 1533 CG2 ILE A 101 7.118 1.994 -6.796 1.00 0.00 C ATOM 1534 CD1 ILE A 101 9.982 1.446 -4.939 1.00 0.00 C ATOM 0 H ILE A 101 8.444 -1.466 -5.472 1.00 0.00 H new ATOM 0 HA ILE A 101 6.170 0.148 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 101 8.545 0.427 -6.646 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.078 2.349 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.241 0.700 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.862 2.759 -7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.710 1.602 -7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.314 2.431 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.450 1.809 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.371 0.456 -5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.206 2.131 -5.757 1.00 0.00 H new ATOM 1546 N GLU A 102 6.308 -1.176 -7.851 1.00 0.00 N ATOM 1547 CA GLU A 102 5.498 -1.525 -9.006 1.00 0.00 C ATOM 1548 C GLU A 102 4.209 -2.217 -8.559 1.00 0.00 C ATOM 1549 O GLU A 102 3.124 -1.883 -9.034 1.00 0.00 O ATOM 1550 CB GLU A 102 6.283 -2.405 -9.981 1.00 0.00 C ATOM 1551 CG GLU A 102 7.659 -1.803 -10.277 1.00 0.00 C ATOM 1552 CD GLU A 102 8.070 -2.063 -11.727 1.00 0.00 C ATOM 1553 OE1 GLU A 102 7.277 -1.688 -12.618 1.00 0.00 O ATOM 1554 OE2 GLU A 102 9.168 -2.631 -11.913 1.00 0.00 O ATOM 0 H GLU A 102 7.285 -1.462 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 102 5.232 -0.607 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.402 -3.404 -9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.723 -2.515 -10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.639 -0.730 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.400 -2.232 -9.603 1.00 0.00 H new ATOM 1561 N HIS A 103 4.369 -3.169 -7.652 1.00 0.00 N ATOM 1562 CA HIS A 103 3.231 -3.911 -7.136 1.00 0.00 C ATOM 1563 C HIS A 103 2.293 -2.959 -6.392 1.00 0.00 C ATOM 1564 O HIS A 103 1.074 -3.044 -6.535 1.00 0.00 O ATOM 1565 CB HIS A 103 3.694 -5.084 -6.271 1.00 0.00 C ATOM 1566 CG HIS A 103 2.691 -6.208 -6.172 1.00 0.00 C ATOM 1567 ND1 HIS A 103 1.879 -6.584 -7.229 1.00 0.00 N ATOM 1568 CD2 HIS A 103 2.377 -7.035 -5.134 1.00 0.00 C ATOM 1569 CE1 HIS A 103 1.115 -7.591 -6.832 1.00 0.00 C ATOM 1570 NE2 HIS A 103 1.425 -7.868 -5.533 1.00 0.00 N ATOM 0 H HIS A 103 5.270 -3.444 -7.261 1.00 0.00 H new ATOM 0 HA HIS A 103 2.670 -4.345 -7.963 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.625 -5.477 -6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.914 -4.718 -5.268 1.00 0.00 H new ATOM 0 HD1 HIS A 103 1.871 -6.158 -8.156 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.827 -7.015 -4.153 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.377 -8.103 -7.432 1.00 0.00 H new ATOM 1578 N PHE A 104 2.896 -2.073 -5.612 1.00 0.00 N ATOM 1579 CA PHE A 104 2.130 -1.106 -4.845 1.00 0.00 C ATOM 1580 C PHE A 104 1.460 -0.084 -5.765 1.00 0.00 C ATOM 1581 O PHE A 104 0.375 0.411 -5.462 1.00 0.00 O ATOM 1582 CB PHE A 104 3.117 -0.380 -3.928 1.00 0.00 C ATOM 1583 CG PHE A 104 2.513 0.812 -3.184 1.00 0.00 C ATOM 1584 CD1 PHE A 104 1.658 0.604 -2.147 1.00 0.00 C ATOM 1585 CD2 PHE A 104 2.830 2.080 -3.560 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.097 1.711 -1.456 1.00 0.00 C ATOM 1587 CE2 PHE A 104 2.270 3.187 -2.869 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.415 2.979 -1.832 1.00 0.00 C ATOM 0 H PHE A 104 3.907 -2.005 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 104 1.348 -1.614 -4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.509 -1.089 -3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.962 -0.034 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.406 -0.403 -1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.508 2.245 -4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.418 1.546 -0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.523 4.194 -3.167 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.988 3.821 -1.307 1.00 0.00 H new ATOM 1598 N MET A 105 2.134 0.203 -6.869 1.00 0.00 N ATOM 1599 CA MET A 105 1.617 1.158 -7.834 1.00 0.00 C ATOM 1600 C MET A 105 0.481 0.545 -8.657 1.00 0.00 C ATOM 1601 O MET A 105 -0.477 1.233 -9.006 1.00 0.00 O ATOM 1602 CB MET A 105 2.744 1.599 -8.770 1.00 0.00 C ATOM 1603 CG MET A 105 3.582 2.709 -8.132 1.00 0.00 C ATOM 1604 SD MET A 105 3.825 4.038 -9.300 1.00 0.00 S ATOM 1605 CE MET A 105 4.482 3.120 -10.682 1.00 0.00 C ATOM 0 H MET A 105 3.034 -0.209 -7.117 1.00 0.00 H new ATOM 0 HA MET A 105 1.225 2.018 -7.292 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.381 0.746 -9.005 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.323 1.951 -9.712 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.083 3.085 -7.239 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.546 2.312 -7.815 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.184 3.745 -11.233 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.997 2.231 -10.317 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.667 2.822 -11.341 1.00 0.00 H new ATOM 1615 N LYS A 106 0.626 -0.740 -8.942 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.375 -1.453 -9.716 1.00 0.00 C ATOM 1617 C LYS A 106 -1.531 -1.857 -8.799 1.00 0.00 C ATOM 1618 O LYS A 106 -2.697 -1.729 -9.170 1.00 0.00 O ATOM 1619 CB LYS A 106 0.260 -2.629 -10.460 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.718 -3.802 -10.568 1.00 0.00 C ATOM 1621 CD LYS A 106 -0.045 -5.020 -11.203 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.571 -5.261 -12.619 1.00 0.00 C ATOM 1623 NZ LYS A 106 -0.923 -6.687 -12.806 1.00 0.00 N ATOM 0 H LYS A 106 1.423 -1.307 -8.650 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.792 -0.806 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.564 -2.311 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.162 -2.950 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -1.090 -4.063 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.581 -3.507 -11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.034 -4.869 -11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.227 -5.902 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.447 -4.638 -12.799 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.184 -4.968 -13.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.278 -6.833 -13.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.079 -7.276 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.659 -6.955 -12.122 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.168 -2.337 -7.619 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.160 -2.761 -6.645 1.00 0.00 C ATOM 1639 C LEU A 107 -3.218 -1.667 -6.493 1.00 0.00 C ATOM 1640 O LEU A 107 -4.405 -1.913 -6.700 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.485 -3.152 -5.329 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.087 -4.622 -5.190 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -0.503 -4.904 -3.804 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.266 -5.542 -5.513 1.00 0.00 C ATOM 0 H LEU A 107 -0.200 -2.442 -7.315 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.675 -3.657 -6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.591 -2.541 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.158 -2.899 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.304 -4.834 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.228 -5.956 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.382 -4.287 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.246 -4.670 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.956 -6.582 -5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.087 -5.336 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.596 -5.365 -6.537 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.750 -0.481 -6.132 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.642 0.652 -5.950 1.00 0.00 C ATOM 1658 C TYR A 108 -4.344 1.014 -7.260 1.00 0.00 C ATOM 1659 O TYR A 108 -5.292 1.797 -7.265 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.754 1.822 -5.520 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.525 3.109 -5.220 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -4.069 3.312 -3.968 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.676 4.068 -6.201 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.794 4.523 -3.685 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.401 5.280 -5.918 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.924 5.448 -4.674 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.609 6.592 -4.407 1.00 0.00 O ATOM 0 H TYR A 108 -1.765 -0.280 -5.961 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.413 0.420 -5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.192 1.532 -4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -2.026 2.021 -6.307 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.951 2.562 -3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.251 3.910 -7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.225 4.693 -2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.526 6.038 -6.677 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.620 7.160 -5.205 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.851 0.426 -8.340 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.419 0.676 -9.654 1.00 0.00 C ATOM 1679 C GLU A 109 -5.403 -0.434 -10.027 1.00 0.00 C ATOM 1680 O GLU A 109 -6.323 -0.215 -10.814 1.00 0.00 O ATOM 1681 CB GLU A 109 -3.320 0.813 -10.710 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.908 0.775 -12.122 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.800 0.772 -13.177 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.737 1.360 -12.885 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -3.043 0.182 -14.252 1.00 0.00 O ATOM 0 H GLU A 109 -3.064 -0.223 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.963 1.620 -9.619 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.783 1.750 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.595 0.007 -10.592 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.528 -0.114 -12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.557 1.638 -12.273 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.176 -1.603 -9.445 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.031 -2.748 -9.707 1.00 0.00 C ATOM 1694 C GLU A 110 -7.412 -2.532 -9.086 1.00 0.00 C ATOM 1695 O GLU A 110 -8.408 -3.059 -9.580 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.393 -4.038 -9.189 1.00 0.00 C ATOM 1697 CG GLU A 110 -5.920 -4.390 -7.796 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.357 -5.730 -7.319 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.125 -5.905 -7.443 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.171 -6.550 -6.841 1.00 0.00 O ATOM 0 H GLU A 110 -4.412 -1.781 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.151 -2.848 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.605 -4.855 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.310 -3.923 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.647 -3.605 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.009 -4.435 -7.816 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.429 -1.755 -8.013 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.672 -1.463 -7.320 1.00 0.00 C ATOM 1709 C LYS A 111 -9.343 -0.254 -7.974 1.00 0.00 C ATOM 1710 O LYS A 111 -10.429 -0.373 -8.540 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.421 -1.290 -5.820 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.887 -2.584 -5.201 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.956 -3.678 -5.209 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.437 -4.957 -4.550 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.460 -5.526 -3.644 1.00 0.00 N ATOM 0 H LYS A 111 -6.601 -1.319 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.364 -2.300 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.706 -0.483 -5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.347 -1.000 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.012 -2.922 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.563 -2.395 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.844 -3.328 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.257 -3.890 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.175 -5.687 -5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.527 -4.741 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.354 -6.560 -3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.338 -5.130 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.408 -5.288 -3.998 1.00 0.00 H new ATOM 1729 N THR A 112 -8.670 0.883 -7.874 1.00 0.00 N ATOM 1730 CA THR A 112 -9.188 2.112 -8.449 1.00 0.00 C ATOM 1731 C THR A 112 -9.285 1.990 -9.971 1.00 0.00 C ATOM 1732 O THR A 112 -10.237 2.479 -10.577 1.00 0.00 O ATOM 1733 CB THR A 112 -8.292 3.264 -7.989 1.00 0.00 C ATOM 1734 OG1 THR A 112 -7.060 3.039 -8.669 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.924 3.163 -6.507 1.00 0.00 C ATOM 0 H THR A 112 -7.770 0.979 -7.403 1.00 0.00 H new ATOM 0 HA THR A 112 -10.203 2.312 -8.105 1.00 0.00 H new ATOM 0 HB THR A 112 -8.796 4.212 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.345 2.900 -8.013 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.288 4.004 -6.232 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.832 3.183 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.390 2.230 -6.328 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.288 1.333 -10.545 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.249 1.140 -11.985 1.00 0.00 C ATOM 1745 C GLY A 113 -7.288 2.131 -12.645 1.00 0.00 C ATOM 1746 O GLY A 113 -6.847 1.915 -13.773 1.00 0.00 O ATOM 0 H GLY A 113 -7.501 0.927 -10.039 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.937 0.120 -12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.249 1.267 -12.400 1.00 0.00 H new ATOM 1750 N ASN A 114 -6.993 3.196 -11.915 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.093 4.221 -12.416 1.00 0.00 C ATOM 1752 C ASN A 114 -4.701 4.008 -11.816 1.00 0.00 C ATOM 1753 O ASN A 114 -4.567 3.430 -10.739 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.572 5.618 -12.016 1.00 0.00 C ATOM 1755 CG ASN A 114 -7.452 6.229 -13.107 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -6.984 6.877 -14.028 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -8.751 5.987 -12.953 1.00 0.00 N ATOM 0 H ASN A 114 -7.361 3.372 -10.980 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.068 4.146 -13.503 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.131 5.561 -11.082 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -5.712 6.263 -11.834 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.421 6.352 -13.630 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.077 5.436 -12.158 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.700 4.487 -12.541 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.324 4.357 -12.094 1.00 0.00 C ATOM 1766 C ALA A 115 -2.106 5.238 -10.862 1.00 0.00 C ATOM 1767 O ALA A 115 -2.574 6.374 -10.817 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.378 4.716 -13.242 1.00 0.00 C ATOM 0 H ALA A 115 -3.815 4.965 -13.434 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.111 3.328 -11.805 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.345 4.618 -12.907 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.552 4.042 -14.081 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.562 5.743 -13.557 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.396 4.679 -9.893 1.00 0.00 N ATOM 1775 CA TRP A 116 -1.111 5.400 -8.664 1.00 0.00 C ATOM 1776 C TRP A 116 -0.743 6.838 -9.034 1.00 0.00 C ATOM 1777 O TRP A 116 -1.071 7.773 -8.305 1.00 0.00 O ATOM 1778 CB TRP A 116 -0.022 4.694 -7.855 1.00 0.00 C ATOM 1779 CG TRP A 116 0.682 5.595 -6.839 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.566 6.574 -7.077 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.524 5.562 -5.404 1.00 0.00 C ATOM 1782 NE1 TRP A 116 1.987 7.171 -5.907 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.333 6.536 -4.857 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.277 4.736 -4.596 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.421 6.776 -3.481 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.178 4.988 -3.223 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.632 5.965 -2.656 1.00 0.00 C ATOM 0 H TRP A 116 -1.010 3.736 -9.934 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.988 5.421 -8.017 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.465 3.848 -7.329 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.721 4.289 -8.542 1.00 0.00 H new ATOM 0 HD1 TRP A 116 1.906 6.860 -8.061 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.655 7.937 -5.827 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -0.918 3.968 -5.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.063 7.545 -3.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.773 4.381 -2.557 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.653 6.098 -1.584 1.00 0.00 H new ATOM 1798 N HIS A 117 -0.068 6.970 -10.166 1.00 0.00 N ATOM 1799 CA HIS A 117 0.348 8.279 -10.641 1.00 0.00 C ATOM 1800 C HIS A 117 -0.034 8.435 -12.115 1.00 0.00 C ATOM 1801 O HIS A 117 0.734 8.065 -13.001 1.00 0.00 O ATOM 1802 CB HIS A 117 1.841 8.499 -10.389 1.00 0.00 C ATOM 1803 CG HIS A 117 2.140 9.586 -9.384 1.00 0.00 C ATOM 1804 ND1 HIS A 117 3.144 9.476 -8.438 1.00 0.00 N ATOM 1805 CD2 HIS A 117 1.558 10.804 -9.188 1.00 0.00 C ATOM 1806 CE1 HIS A 117 3.156 10.583 -7.711 1.00 0.00 C ATOM 1807 NE2 HIS A 117 2.172 11.405 -8.177 1.00 0.00 N ATOM 0 H HIS A 117 0.201 6.192 -10.768 1.00 0.00 H new ATOM 0 HA HIS A 117 -0.174 9.056 -10.082 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.282 7.565 -10.041 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.326 8.748 -11.333 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.736 11.210 -9.759 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.827 10.797 -6.893 1.00 0.00 H new ATOM 0 HE2 HIS A 117 1.946 12.329 -7.809 1.00 0.00 H new ATOM 1815 N SER A 118 -1.221 8.983 -12.330 1.00 0.00 N ATOM 1816 CA SER A 118 -1.714 9.192 -13.681 1.00 0.00 C ATOM 1817 C SER A 118 -2.726 10.339 -13.696 1.00 0.00 C ATOM 1818 O SER A 118 -3.918 10.117 -13.904 1.00 0.00 O ATOM 1819 CB SER A 118 -2.349 7.917 -14.240 1.00 0.00 C ATOM 1820 OG SER A 118 -1.476 7.235 -15.137 1.00 0.00 O ATOM 0 H SER A 118 -1.855 9.288 -11.592 1.00 0.00 H new ATOM 0 HA SER A 118 -0.868 9.453 -14.317 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.614 7.253 -13.417 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.275 8.170 -14.757 1.00 0.00 H new ATOM 0 HG SER A 118 -0.557 7.282 -14.799 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.214 11.541 -13.473 1.00 0.00 N ATOM 1827 CA LYS A 119 -3.059 12.723 -13.459 1.00 0.00 C ATOM 1828 C LYS A 119 -4.240 12.490 -12.514 1.00 0.00 C ATOM 1829 O LYS A 119 -4.332 11.442 -11.877 1.00 0.00 O ATOM 1830 CB LYS A 119 -3.475 13.102 -14.882 1.00 0.00 C ATOM 1831 CG LYS A 119 -2.289 13.663 -15.669 1.00 0.00 C ATOM 1832 CD LYS A 119 -1.409 12.535 -16.212 1.00 0.00 C ATOM 1833 CE LYS A 119 -1.577 12.389 -17.725 1.00 0.00 C ATOM 1834 NZ LYS A 119 -0.362 11.795 -18.327 1.00 0.00 N ATOM 0 H LYS A 119 -1.225 11.721 -13.301 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.507 13.581 -13.074 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.874 12.226 -15.394 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.275 13.842 -14.846 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.652 14.275 -16.494 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.697 14.314 -15.026 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.364 12.738 -15.976 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.670 11.597 -15.721 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.441 11.761 -17.942 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.771 13.364 -18.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.493 11.703 -19.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.456 12.409 -18.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.194 10.855 -17.914 1.00 0.00 H new ATOM 1848 N ASN A 120 -5.114 13.483 -12.455 1.00 0.00 N ATOM 1849 CA ASN A 120 -6.285 13.399 -11.599 1.00 0.00 C ATOM 1850 C ASN A 120 -6.881 11.993 -11.693 1.00 0.00 C ATOM 1851 O ASN A 120 -6.687 11.299 -12.690 1.00 0.00 O ATOM 1852 CB ASN A 120 -7.360 14.397 -12.036 1.00 0.00 C ATOM 1853 CG ASN A 120 -8.112 14.957 -10.827 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -7.625 15.805 -10.098 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -9.324 14.436 -10.656 1.00 0.00 N ATOM 0 H ASN A 120 -5.035 14.350 -12.986 1.00 0.00 H new ATOM 0 HA ASN A 120 -5.974 13.627 -10.580 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.899 15.213 -12.592 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -8.062 13.908 -12.711 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.906 14.744 -9.877 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -9.671 13.729 -11.304 1.00 0.00 H new ATOM 1862 N PHE A 121 -7.593 11.615 -10.642 1.00 0.00 N ATOM 1863 CA PHE A 121 -8.217 10.304 -10.593 1.00 0.00 C ATOM 1864 C PHE A 121 -9.685 10.380 -11.017 1.00 0.00 C ATOM 1865 O PHE A 121 -10.398 11.307 -10.636 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.142 9.826 -9.142 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.056 8.640 -8.829 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.845 7.440 -9.435 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.080 8.784 -7.946 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -9.694 6.339 -9.145 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.929 7.683 -7.655 1.00 0.00 C ATOM 1872 CZ PHE A 121 -10.718 6.484 -8.261 1.00 0.00 C ATOM 0 H PHE A 121 -7.752 12.194 -9.817 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.705 9.623 -11.272 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.113 9.548 -8.915 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.401 10.655 -8.483 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.032 7.325 -10.136 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.248 9.736 -7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -9.527 5.387 -9.626 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.742 7.798 -6.953 1.00 0.00 H new ATOM 0 HZ PHE A 121 -11.363 5.647 -8.040 1.00 0.00 H new ATOM 1882 N THR A 122 -10.093 9.393 -11.801 1.00 0.00 N ATOM 1883 CA THR A 122 -11.464 9.336 -12.282 1.00 0.00 C ATOM 1884 C THR A 122 -12.272 8.323 -11.469 1.00 0.00 C ATOM 1885 O THR A 122 -12.013 7.122 -11.533 1.00 0.00 O ATOM 1886 CB THR A 122 -11.427 9.024 -13.779 1.00 0.00 C ATOM 1887 OG1 THR A 122 -10.891 10.206 -14.367 1.00 0.00 O ATOM 1888 CG2 THR A 122 -12.827 8.907 -14.387 1.00 0.00 C ATOM 0 H THR A 122 -9.499 8.626 -12.115 1.00 0.00 H new ATOM 0 HA THR A 122 -11.971 10.291 -12.148 1.00 0.00 H new ATOM 0 HB THR A 122 -10.881 8.095 -13.943 1.00 0.00 H new ATOM 0 HG1 THR A 122 -10.831 10.090 -15.338 1.00 0.00 H new ATOM 0 HG21 THR A 122 -12.744 8.685 -15.451 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.374 8.105 -13.890 1.00 0.00 H new ATOM 0 HG23 THR A 122 -13.362 9.847 -14.253 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.235 8.844 -10.723 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.083 8.000 -9.899 1.00 0.00 C ATOM 1898 C LYS A 123 -14.964 7.133 -10.801 1.00 0.00 C ATOM 1899 O LYS A 123 -16.041 7.558 -11.216 1.00 0.00 O ATOM 1900 CB LYS A 123 -14.873 8.848 -8.899 1.00 0.00 C ATOM 1901 CG LYS A 123 -14.738 8.291 -7.481 1.00 0.00 C ATOM 1902 CD LYS A 123 -15.820 7.246 -7.197 1.00 0.00 C ATOM 1903 CE LYS A 123 -16.806 7.751 -6.141 1.00 0.00 C ATOM 1904 NZ LYS A 123 -17.662 8.821 -6.702 1.00 0.00 N ATOM 0 H LYS A 123 -13.447 9.840 -10.672 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.477 7.322 -9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.513 9.877 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.924 8.870 -9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.752 7.843 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.814 9.104 -6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -16.355 7.012 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -15.356 6.321 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -17.427 6.926 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -16.260 8.129 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -18.325 9.153 -5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -17.066 9.614 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -18.196 8.449 -7.513 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.473 5.934 -11.077 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.201 5.004 -11.923 1.00 0.00 C ATOM 1920 C TYR A 124 -16.158 4.144 -11.094 1.00 0.00 C ATOM 1921 O TYR A 124 -16.032 4.070 -9.873 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.146 4.100 -12.562 1.00 0.00 C ATOM 1923 CG TYR A 124 -13.684 4.564 -13.945 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -14.604 5.050 -14.852 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.348 4.496 -14.286 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -14.169 5.487 -16.154 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -11.914 4.933 -15.587 1.00 0.00 C ATOM 1928 CZ TYR A 124 -12.846 5.407 -16.457 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.436 5.819 -17.686 1.00 0.00 O ATOM 0 H TYR A 124 -13.580 5.585 -10.730 1.00 0.00 H new ATOM 0 HA TYR A 124 -15.794 5.542 -12.663 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.281 4.045 -11.901 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.549 3.091 -12.645 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -15.649 5.103 -14.586 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.628 4.115 -13.577 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -14.878 5.870 -16.873 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -10.872 4.886 -15.866 1.00 0.00 H new ATOM 0 HH TYR A 124 -11.466 5.705 -17.762 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.117 3.499 -11.810 1.00 0.00 N ATOM 1940 CA PRO A 125 -18.094 2.647 -11.154 1.00 0.00 C ATOM 1941 C PRO A 125 -17.467 1.317 -10.731 1.00 0.00 C ATOM 1942 O PRO A 125 -16.885 0.612 -11.554 1.00 0.00 O ATOM 1943 CB PRO A 125 -19.214 2.479 -12.169 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.616 2.854 -13.515 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.296 3.563 -13.258 1.00 0.00 C ATOM 0 HA PRO A 125 -18.474 3.079 -10.228 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.583 1.453 -12.178 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -20.061 3.120 -11.926 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.459 1.964 -14.124 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.296 3.502 -14.068 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.475 3.073 -13.781 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.326 4.595 -13.608 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.606 1.014 -9.449 1.00 0.00 N ATOM 1954 CA LYS A 126 -17.060 -0.218 -8.907 1.00 0.00 C ATOM 1955 C LYS A 126 -15.555 -0.053 -8.692 1.00 0.00 C ATOM 1956 O LYS A 126 -14.887 -0.971 -8.220 1.00 0.00 O ATOM 1957 CB LYS A 126 -17.427 -1.405 -9.800 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.907 -1.364 -10.186 1.00 0.00 C ATOM 1959 CD LYS A 126 -19.353 -2.695 -10.795 1.00 0.00 C ATOM 1960 CE LYS A 126 -19.926 -3.624 -9.723 1.00 0.00 C ATOM 1961 NZ LYS A 126 -21.384 -3.798 -9.914 1.00 0.00 N ATOM 0 H LYS A 126 -18.089 1.601 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.500 -0.433 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.812 -1.391 -10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -17.209 -2.337 -9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -19.510 -1.143 -9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -19.078 -0.558 -10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -20.104 -2.514 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -18.507 -3.177 -11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -19.429 -4.593 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -19.729 -3.212 -8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -21.757 -4.431 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -21.856 -2.874 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -21.564 -4.212 -10.851 1.00 0.00 H new ATOM 1975 N LYS A 127 -15.064 1.125 -9.050 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.649 1.423 -8.902 1.00 0.00 C ATOM 1977 C LYS A 127 -13.395 1.987 -7.503 1.00 0.00 C ATOM 1978 O LYS A 127 -14.097 2.894 -7.059 1.00 0.00 O ATOM 1979 CB LYS A 127 -13.174 2.339 -10.031 1.00 0.00 C ATOM 1980 CG LYS A 127 -13.006 1.559 -11.337 1.00 0.00 C ATOM 1981 CD LYS A 127 -12.116 0.332 -11.131 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.458 -0.095 -12.445 1.00 0.00 C ATOM 1983 NZ LYS A 127 -10.345 -1.036 -12.186 1.00 0.00 N ATOM 0 H LYS A 127 -15.621 1.884 -9.442 1.00 0.00 H new ATOM 0 HA LYS A 127 -13.056 0.513 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.892 3.146 -10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.226 2.801 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.983 1.247 -11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.569 2.206 -12.098 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.347 0.556 -10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.711 -0.491 -10.734 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -12.197 -0.567 -13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -11.085 0.782 -12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.638 -0.954 -12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.902 -0.807 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.712 -2.009 -12.158 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.388 1.428 -6.848 1.00 0.00 N ATOM 1998 CA PHE A 128 -12.032 1.865 -5.509 1.00 0.00 C ATOM 1999 C PHE A 128 -11.449 3.279 -5.530 1.00 0.00 C ATOM 2000 O PHE A 128 -10.456 3.535 -6.209 1.00 0.00 O ATOM 2001 CB PHE A 128 -10.968 0.895 -4.990 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.529 -0.443 -4.505 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.920 -0.587 -3.210 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -11.637 -1.489 -5.368 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -12.441 -1.829 -2.760 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.158 -2.730 -4.918 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.549 -2.875 -3.624 1.00 0.00 C ATOM 0 H PHE A 128 -11.807 0.676 -7.220 1.00 0.00 H new ATOM 0 HA PHE A 128 -12.918 1.876 -4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.244 0.708 -5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.428 1.369 -4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -11.834 0.243 -2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -11.326 -1.375 -6.396 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.752 -1.944 -1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -12.244 -3.560 -5.604 1.00 0.00 H new ATOM 0 HZ PHE A 128 -12.945 -3.820 -3.282 1.00 0.00 H new ATOM 2017 N TYR A 129 -12.092 4.161 -4.778 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.649 5.543 -4.702 1.00 0.00 C ATOM 2019 C TYR A 129 -11.023 5.844 -3.338 1.00 0.00 C ATOM 2020 O TYR A 129 -11.211 5.089 -2.385 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.906 6.398 -4.872 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.890 6.298 -3.705 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.572 6.858 -2.484 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -15.096 5.647 -3.872 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.498 6.764 -1.385 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -16.022 5.553 -2.773 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.677 6.116 -1.584 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.551 6.027 -0.546 1.00 0.00 O ATOM 0 H TYR A 129 -12.916 3.945 -4.216 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.897 5.748 -5.464 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.610 7.440 -4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -13.414 6.100 -5.789 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.628 7.367 -2.353 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -15.345 5.208 -4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.262 7.198 -0.425 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.969 5.047 -2.890 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.351 5.539 -0.833 1.00 0.00 H new ATOM 2038 N PRO A 130 -10.273 6.977 -3.288 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.618 7.387 -2.057 1.00 0.00 C ATOM 2040 C PRO A 130 -10.628 7.970 -1.067 1.00 0.00 C ATOM 2041 O PRO A 130 -11.291 8.963 -1.363 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.562 8.391 -2.490 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.971 8.854 -3.878 1.00 0.00 C ATOM 2044 CD PRO A 130 -10.029 7.894 -4.397 1.00 0.00 C ATOM 0 HA PRO A 130 -9.161 6.553 -1.525 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.514 9.231 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.572 7.934 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -9.363 9.870 -3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -8.109 8.869 -4.545 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.939 8.423 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.681 7.361 -5.282 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.713 7.328 0.089 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.631 7.771 1.125 1.00 0.00 C ATOM 2054 C LEU A 131 -11.159 9.117 1.677 1.00 0.00 C ATOM 2055 O LEU A 131 -11.723 10.160 1.349 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.793 6.690 2.195 1.00 0.00 C ATOM 2057 CG LEU A 131 -12.365 5.353 1.717 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.189 4.269 2.782 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.826 5.504 1.289 1.00 0.00 C ATOM 0 H LEU A 131 -10.161 6.505 0.331 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.627 7.928 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.818 6.505 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.440 7.079 2.981 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.803 5.035 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.604 3.329 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.128 4.138 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.709 4.566 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -14.208 4.540 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.418 5.855 2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.894 6.224 0.474 1.00 0.00 H new ATOM 2071 N GLU A 132 -10.128 9.051 2.507 1.00 0.00 N ATOM 2072 CA GLU A 132 -9.574 10.252 3.108 1.00 0.00 C ATOM 2073 C GLU A 132 -9.020 11.181 2.026 1.00 0.00 C ATOM 2074 O GLU A 132 -7.852 11.080 1.654 1.00 0.00 O ATOM 2075 CB GLU A 132 -8.494 9.903 4.135 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.991 10.156 5.560 1.00 0.00 C ATOM 2077 CD GLU A 132 -8.060 9.510 6.588 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -7.871 8.279 6.487 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -7.559 10.262 7.452 1.00 0.00 O ATOM 0 H GLU A 132 -9.662 8.185 2.777 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.374 10.774 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.208 8.857 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.601 10.499 3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.052 11.229 5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.998 9.756 5.674 1.00 0.00 H new