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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -145:sc= 0.0899 (180deg=0) USER MOD Set 1.3: A 63 GLN : amide:sc= 0.158 X(o=0.25,f=0.11) USER MOD Single : A 27 SER OG : rot 75:sc= 1.06 USER MOD Single : A 31 HIS : no HD1:sc= -0.321 K(o=-0.32,f=-2.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -6.31! C(o=-6.3!,f=-7.5!) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0192) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 57 ASN : amide:sc= -0.0873 K(o=-0.087,f=-3.7!) 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= -1.45 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 92:sc= -0.789 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.004) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0454) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 94 MET CE :methyl 180:sc= -0.991 (180deg=-0.991) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -144:sc= -12.5! (180deg=-16.9!) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.843 F(o=-4.2!,f=-0.84) USER MOD Single : A 105 MET CE :methyl -153:sc= -0.0651 (180deg=-1.15) 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+ 162:sc= 0.342 (180deg=0.219) USER MOD Single : A 112 THR OG1 : rot -103:sc= 1.12 USER MOD Single : A 114 ASN : amide:sc= -4.16! C(o=-4.2!,f=-5.8!) USER MOD Single : A 117 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.69) USER MOD Single : A 118 SER OG : rot 180:sc= -0.0595 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.4) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -162:sc= 0.396 (180deg=-0.348!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 287 N ALA A 21 4.429 7.869 7.065 1.00 0.00 N ATOM 288 CA ALA A 21 3.230 7.228 7.580 1.00 0.00 C ATOM 289 C ALA A 21 3.626 6.177 8.619 1.00 0.00 C ATOM 290 O ALA A 21 4.775 5.742 8.660 1.00 0.00 O ATOM 291 CB ALA A 21 2.432 6.631 6.420 1.00 0.00 C ATOM 0 HA ALA A 21 2.588 7.956 8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.533 6.150 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.151 7.423 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.043 5.893 5.900 1.00 0.00 H new ATOM 297 N ALA A 22 2.650 5.798 9.432 1.00 0.00 N ATOM 298 CA ALA A 22 2.882 4.806 10.467 1.00 0.00 C ATOM 299 C ALA A 22 2.499 3.423 9.937 1.00 0.00 C ATOM 300 O ALA A 22 1.409 3.241 9.396 1.00 0.00 O ATOM 301 CB ALA A 22 2.097 5.186 11.724 1.00 0.00 C ATOM 0 H ALA A 22 1.697 6.160 9.394 1.00 0.00 H new ATOM 0 HA ALA A 22 3.937 4.775 10.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.271 4.441 12.501 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.427 6.163 12.077 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.033 5.225 11.491 1.00 0.00 H new ATOM 307 N VAL A 23 3.417 2.483 10.110 1.00 0.00 N ATOM 308 CA VAL A 23 3.189 1.122 9.656 1.00 0.00 C ATOM 309 C VAL A 23 2.135 0.461 10.546 1.00 0.00 C ATOM 310 O VAL A 23 2.008 0.802 11.721 1.00 0.00 O ATOM 311 CB VAL A 23 4.512 0.353 9.623 1.00 0.00 C ATOM 312 CG1 VAL A 23 4.268 -1.152 9.491 1.00 0.00 C ATOM 313 CG2 VAL A 23 5.415 0.863 8.498 1.00 0.00 C ATOM 0 H VAL A 23 4.320 2.637 10.558 1.00 0.00 H new ATOM 0 HA VAL A 23 2.801 1.119 8.637 1.00 0.00 H new ATOM 0 HB VAL A 23 5.025 0.528 10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.224 -1.675 9.470 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.682 -1.501 10.341 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.724 -1.353 8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.348 0.300 8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.912 0.733 7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.629 1.920 8.655 1.00 0.00 H new ATOM 323 N ASP A 24 1.407 -0.474 9.953 1.00 0.00 N ATOM 324 CA ASP A 24 0.368 -1.185 10.678 1.00 0.00 C ATOM 325 C ASP A 24 1.011 -2.257 11.561 1.00 0.00 C ATOM 326 O ASP A 24 2.031 -2.839 11.193 1.00 0.00 O ATOM 327 CB ASP A 24 -0.596 -1.882 9.716 1.00 0.00 C ATOM 328 CG ASP A 24 -2.065 -1.484 9.873 1.00 0.00 C ATOM 329 OD1 ASP A 24 -2.465 -0.509 9.201 1.00 0.00 O ATOM 330 OD2 ASP A 24 -2.756 -2.165 10.662 1.00 0.00 O ATOM 0 H ASP A 24 1.516 -0.756 8.979 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.182 -0.459 11.278 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.284 -1.668 8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.510 -2.960 9.856 1.00 0.00 H new ATOM 335 N PRO A 25 0.373 -2.491 12.738 1.00 0.00 N ATOM 336 CA PRO A 25 0.872 -3.482 13.676 1.00 0.00 C ATOM 337 C PRO A 25 0.566 -4.900 13.189 1.00 0.00 C ATOM 338 O PRO A 25 1.184 -5.863 13.642 1.00 0.00 O ATOM 339 CB PRO A 25 0.196 -3.150 14.996 1.00 0.00 C ATOM 340 CG PRO A 25 -1.002 -2.282 14.645 1.00 0.00 C ATOM 341 CD PRO A 25 -0.837 -1.821 13.206 1.00 0.00 C ATOM 0 HA PRO A 25 1.957 -3.453 13.781 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.117 -4.057 15.513 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.878 -2.623 15.662 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.928 -2.844 14.762 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.062 -1.425 15.316 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.701 -2.096 12.601 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -0.738 -0.737 13.146 1.00 0.00 H new ATOM 349 N ASP A 26 -0.386 -4.985 12.272 1.00 0.00 N ATOM 350 CA ASP A 26 -0.781 -6.269 11.719 1.00 0.00 C ATOM 351 C ASP A 26 0.327 -6.784 10.798 1.00 0.00 C ATOM 352 O ASP A 26 0.401 -7.980 10.519 1.00 0.00 O ATOM 353 CB ASP A 26 -2.062 -6.142 10.892 1.00 0.00 C ATOM 354 CG ASP A 26 -2.829 -7.450 10.685 1.00 0.00 C ATOM 355 OD1 ASP A 26 -2.182 -8.424 10.243 1.00 0.00 O ATOM 356 OD2 ASP A 26 -4.046 -7.445 10.971 1.00 0.00 O ATOM 0 H ASP A 26 -0.896 -4.185 11.898 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.954 -6.955 12.548 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.722 -5.424 11.379 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.807 -5.729 9.916 1.00 0.00 H new ATOM 361 N SER A 27 1.160 -5.856 10.350 1.00 0.00 N ATOM 362 CA SER A 27 2.260 -6.202 9.466 1.00 0.00 C ATOM 363 C SER A 27 3.426 -6.768 10.278 1.00 0.00 C ATOM 364 O SER A 27 4.191 -7.593 9.781 1.00 0.00 O ATOM 365 CB SER A 27 2.718 -4.988 8.655 1.00 0.00 C ATOM 366 OG SER A 27 1.996 -3.810 9.005 1.00 0.00 O ATOM 0 H SER A 27 1.095 -4.865 10.583 1.00 0.00 H new ATOM 0 HA SER A 27 1.910 -6.961 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.783 -4.823 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.587 -5.191 7.592 1.00 0.00 H new ATOM 0 HG SER A 27 2.310 -3.479 9.872 1.00 0.00 H new ATOM 372 N GLY A 28 3.526 -6.302 11.515 1.00 0.00 N ATOM 373 CA GLY A 28 4.586 -6.751 12.401 1.00 0.00 C ATOM 374 C GLY A 28 5.861 -5.933 12.189 1.00 0.00 C ATOM 375 O GLY A 28 6.771 -5.970 13.016 1.00 0.00 O ATOM 0 H GLY A 28 2.890 -5.618 11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.261 -6.662 13.437 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.792 -7.806 12.221 1.00 0.00 H new ATOM 379 N LEU A 29 5.887 -5.213 11.077 1.00 0.00 N ATOM 380 CA LEU A 29 7.035 -4.387 10.746 1.00 0.00 C ATOM 381 C LEU A 29 6.827 -2.981 11.313 1.00 0.00 C ATOM 382 O LEU A 29 7.582 -2.063 10.997 1.00 0.00 O ATOM 383 CB LEU A 29 7.296 -4.410 9.239 1.00 0.00 C ATOM 384 CG LEU A 29 7.488 -5.793 8.613 1.00 0.00 C ATOM 385 CD1 LEU A 29 7.843 -6.833 9.677 1.00 0.00 C ATOM 386 CD2 LEU A 29 6.258 -6.202 7.799 1.00 0.00 C ATOM 0 H LEU A 29 5.130 -5.185 10.393 1.00 0.00 H new ATOM 0 HA LEU A 29 7.938 -4.787 11.208 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.462 -3.919 8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.186 -3.814 9.035 1.00 0.00 H new ATOM 0 HG LEU A 29 8.329 -5.741 7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.974 -7.807 9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.769 -6.543 10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.040 -6.891 10.411 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.421 -7.189 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.384 -6.231 8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.092 -5.478 7.002 1.00 0.00 H new ATOM 398 N GLU A 30 5.800 -2.857 12.140 1.00 0.00 N ATOM 399 CA GLU A 30 5.483 -1.579 12.754 1.00 0.00 C ATOM 400 C GLU A 30 6.664 -1.084 13.591 1.00 0.00 C ATOM 401 O GLU A 30 6.856 0.120 13.749 1.00 0.00 O ATOM 402 CB GLU A 30 4.213 -1.678 13.602 1.00 0.00 C ATOM 403 CG GLU A 30 4.219 -2.949 14.453 1.00 0.00 C ATOM 404 CD GLU A 30 3.344 -2.781 15.696 1.00 0.00 C ATOM 405 OE1 GLU A 30 2.870 -1.644 15.907 1.00 0.00 O ATOM 406 OE2 GLU A 30 3.169 -3.793 16.408 1.00 0.00 O ATOM 0 H GLU A 30 5.176 -3.621 12.400 1.00 0.00 H new ATOM 0 HA GLU A 30 5.296 -0.854 11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.134 -0.804 14.248 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.337 -1.675 12.953 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.857 -3.789 13.860 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.240 -3.186 14.752 1.00 0.00 H new ATOM 413 N HIS A 31 7.424 -2.040 14.105 1.00 0.00 N ATOM 414 CA HIS A 31 8.582 -1.716 14.922 1.00 0.00 C ATOM 415 C HIS A 31 9.846 -2.272 14.264 1.00 0.00 C ATOM 416 O HIS A 31 10.909 -2.306 14.883 1.00 0.00 O ATOM 417 CB HIS A 31 8.391 -2.215 16.356 1.00 0.00 C ATOM 418 CG HIS A 31 7.834 -3.616 16.450 1.00 0.00 C ATOM 419 ND1 HIS A 31 7.986 -4.552 15.442 1.00 0.00 N ATOM 420 CD2 HIS A 31 7.125 -4.228 17.441 1.00 0.00 C ATOM 421 CE1 HIS A 31 7.391 -5.674 15.821 1.00 0.00 C ATOM 422 NE2 HIS A 31 6.857 -5.471 17.060 1.00 0.00 N ATOM 0 H HIS A 31 7.261 -3.038 13.972 1.00 0.00 H new ATOM 0 HA HIS A 31 8.695 -0.634 14.987 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.350 -2.181 16.872 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.722 -1.533 16.881 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.831 -3.778 18.378 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.338 -6.589 15.249 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.338 -6.160 17.604 1.00 0.00 H new ATOM 430 N SER A 32 9.689 -2.694 13.018 1.00 0.00 N ATOM 431 CA SER A 32 10.805 -3.246 12.269 1.00 0.00 C ATOM 432 C SER A 32 11.057 -2.410 11.013 1.00 0.00 C ATOM 433 O SER A 32 12.165 -1.919 10.802 1.00 0.00 O ATOM 434 CB SER A 32 10.546 -4.706 11.892 1.00 0.00 C ATOM 435 OG SER A 32 11.748 -5.472 11.866 1.00 0.00 O ATOM 0 H SER A 32 8.806 -2.665 12.508 1.00 0.00 H new ATOM 0 HA SER A 32 11.692 -3.214 12.902 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.850 -5.147 12.606 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.068 -4.748 10.913 1.00 0.00 H new ATOM 0 HG SER A 32 11.540 -6.398 11.623 1.00 0.00 H new ATOM 441 N ALA A 33 10.011 -2.275 10.211 1.00 0.00 N ATOM 442 CA ALA A 33 10.105 -1.507 8.981 1.00 0.00 C ATOM 443 C ALA A 33 9.230 -0.258 9.096 1.00 0.00 C ATOM 444 O ALA A 33 8.572 -0.048 10.115 1.00 0.00 O ATOM 445 CB ALA A 33 9.708 -2.390 7.796 1.00 0.00 C ATOM 0 H ALA A 33 9.094 -2.685 10.389 1.00 0.00 H new ATOM 0 HA ALA A 33 11.130 -1.177 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.778 -1.814 6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.379 -3.248 7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.684 -2.738 7.929 1.00 0.00 H new ATOM 451 N HIS A 34 9.249 0.540 8.039 1.00 0.00 N ATOM 452 CA HIS A 34 8.465 1.763 8.009 1.00 0.00 C ATOM 453 C HIS A 34 7.807 1.917 6.636 1.00 0.00 C ATOM 454 O HIS A 34 8.246 1.308 5.661 1.00 0.00 O ATOM 455 CB HIS A 34 9.325 2.969 8.392 1.00 0.00 C ATOM 456 CG HIS A 34 10.451 3.253 7.427 1.00 0.00 C ATOM 457 ND1 HIS A 34 11.726 2.740 7.590 1.00 0.00 N ATOM 458 CD2 HIS A 34 10.479 4.000 6.286 1.00 0.00 C ATOM 459 CE1 HIS A 34 12.479 3.167 6.587 1.00 0.00 C ATOM 460 NE2 HIS A 34 11.705 3.948 5.780 1.00 0.00 N ATOM 0 H HIS A 34 9.796 0.363 7.196 1.00 0.00 H new ATOM 0 HA HIS A 34 7.669 1.707 8.751 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.687 3.850 8.459 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.744 2.803 9.384 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.645 4.542 5.866 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.523 2.937 6.435 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.017 4.415 4.928 1.00 0.00 H new ATOM 468 N VAL A 35 6.765 2.734 6.604 1.00 0.00 N ATOM 469 CA VAL A 35 6.042 2.976 5.367 1.00 0.00 C ATOM 470 C VAL A 35 7.021 3.454 4.293 1.00 0.00 C ATOM 471 O VAL A 35 7.637 4.509 4.436 1.00 0.00 O ATOM 472 CB VAL A 35 4.897 3.961 5.614 1.00 0.00 C ATOM 473 CG1 VAL A 35 4.149 4.269 4.315 1.00 0.00 C ATOM 474 CG2 VAL A 35 3.942 3.434 6.686 1.00 0.00 C ATOM 0 H VAL A 35 6.404 3.237 7.415 1.00 0.00 H new ATOM 0 HA VAL A 35 5.587 2.054 5.004 1.00 0.00 H new ATOM 0 HB VAL A 35 5.329 4.892 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.340 4.971 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.838 4.708 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.735 3.347 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.138 4.153 6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.520 2.483 6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.486 3.290 7.619 1.00 0.00 H new ATOM 484 N LEU A 36 7.135 2.655 3.243 1.00 0.00 N ATOM 485 CA LEU A 36 8.029 2.984 2.146 1.00 0.00 C ATOM 486 C LEU A 36 7.654 4.355 1.581 1.00 0.00 C ATOM 487 O LEU A 36 6.541 4.547 1.094 1.00 0.00 O ATOM 488 CB LEU A 36 8.027 1.867 1.100 1.00 0.00 C ATOM 489 CG LEU A 36 9.133 1.934 0.045 1.00 0.00 C ATOM 490 CD1 LEU A 36 8.568 2.339 -1.318 1.00 0.00 C ATOM 491 CD2 LEU A 36 10.264 2.861 0.495 1.00 0.00 C ATOM 0 H LEU A 36 6.623 1.780 3.128 1.00 0.00 H new ATOM 0 HA LEU A 36 9.057 3.056 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.104 0.911 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.064 1.876 0.589 1.00 0.00 H new ATOM 0 HG LEU A 36 9.559 0.937 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.375 2.379 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.826 1.607 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.100 3.320 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.037 2.891 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.870 3.865 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.691 2.488 1.426 1.00 0.00 H new ATOM 503 N GLU A 37 8.605 5.274 1.666 1.00 0.00 N ATOM 504 CA GLU A 37 8.389 6.623 1.169 1.00 0.00 C ATOM 505 C GLU A 37 9.237 6.871 -0.079 1.00 0.00 C ATOM 506 O GLU A 37 10.303 6.279 -0.238 1.00 0.00 O ATOM 507 CB GLU A 37 8.690 7.661 2.253 1.00 0.00 C ATOM 508 CG GLU A 37 7.447 7.947 3.098 1.00 0.00 C ATOM 509 CD GLU A 37 7.746 7.774 4.588 1.00 0.00 C ATOM 510 OE1 GLU A 37 8.825 8.244 5.009 1.00 0.00 O ATOM 511 OE2 GLU A 37 6.888 7.176 5.273 1.00 0.00 O ATOM 0 H GLU A 37 9.527 5.111 2.071 1.00 0.00 H new ATOM 0 HA GLU A 37 7.339 6.725 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.495 7.300 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.040 8.584 1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.100 8.963 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.641 7.275 2.805 1.00 0.00 H new ATOM 518 N LYS A 38 8.732 7.749 -0.934 1.00 0.00 N ATOM 519 CA LYS A 38 9.431 8.083 -2.163 1.00 0.00 C ATOM 520 C LYS A 38 8.951 9.447 -2.663 1.00 0.00 C ATOM 521 O LYS A 38 7.812 9.839 -2.411 1.00 0.00 O ATOM 522 CB LYS A 38 9.273 6.961 -3.191 1.00 0.00 C ATOM 523 CG LYS A 38 10.519 6.845 -4.071 1.00 0.00 C ATOM 524 CD LYS A 38 10.678 5.421 -4.610 1.00 0.00 C ATOM 525 CE LYS A 38 11.477 5.415 -5.915 1.00 0.00 C ATOM 526 NZ LYS A 38 12.863 5.877 -5.676 1.00 0.00 N ATOM 0 H LYS A 38 7.847 8.239 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 38 10.502 8.169 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.096 6.015 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.400 7.154 -3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.448 7.547 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.402 7.121 -3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.182 4.802 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.695 4.980 -4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.490 4.410 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.993 6.061 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.424 5.755 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.853 6.882 -5.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.287 5.319 -4.908 1.00 0.00 H new ATOM 540 N GLY A 39 9.843 10.134 -3.362 1.00 0.00 N ATOM 541 CA GLY A 39 9.524 11.445 -3.899 1.00 0.00 C ATOM 542 C GLY A 39 8.764 12.288 -2.873 1.00 0.00 C ATOM 543 O GLY A 39 7.787 12.954 -3.213 1.00 0.00 O ATOM 0 H GLY A 39 10.787 9.807 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.442 11.957 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.923 11.336 -4.802 1.00 0.00 H new ATOM 547 N GLY A 40 9.240 12.231 -1.638 1.00 0.00 N ATOM 548 CA GLY A 40 8.617 12.981 -0.561 1.00 0.00 C ATOM 549 C GLY A 40 7.137 12.617 -0.424 1.00 0.00 C ATOM 550 O GLY A 40 6.318 13.461 -0.065 1.00 0.00 O ATOM 0 H GLY A 40 10.050 11.677 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.134 12.776 0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.716 14.049 -0.752 1.00 0.00 H new ATOM 554 N LYS A 41 6.840 11.360 -0.718 1.00 0.00 N ATOM 555 CA LYS A 41 5.473 10.875 -0.632 1.00 0.00 C ATOM 556 C LYS A 41 5.425 9.659 0.295 1.00 0.00 C ATOM 557 O LYS A 41 6.452 9.236 0.823 1.00 0.00 O ATOM 558 CB LYS A 41 4.912 10.604 -2.030 1.00 0.00 C ATOM 559 CG LYS A 41 4.419 11.897 -2.682 1.00 0.00 C ATOM 560 CD LYS A 41 2.907 12.057 -2.508 1.00 0.00 C ATOM 561 CE LYS A 41 2.150 11.426 -3.679 1.00 0.00 C ATOM 562 NZ LYS A 41 0.751 11.907 -3.711 1.00 0.00 N ATOM 0 H LYS A 41 7.522 10.663 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 41 4.826 11.636 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.682 10.149 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.091 9.890 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.932 12.751 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.668 11.891 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.594 11.590 -1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.656 13.115 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.647 11.673 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.165 10.340 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.252 11.469 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.275 11.649 -2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.742 12.941 -3.821 1.00 0.00 H new ATOM 576 N VAL A 42 4.222 9.132 0.466 1.00 0.00 N ATOM 577 CA VAL A 42 4.027 7.973 1.320 1.00 0.00 C ATOM 578 C VAL A 42 3.162 6.945 0.589 1.00 0.00 C ATOM 579 O VAL A 42 2.182 7.303 -0.062 1.00 0.00 O ATOM 580 CB VAL A 42 3.433 8.407 2.662 1.00 0.00 C ATOM 581 CG1 VAL A 42 2.974 7.195 3.476 1.00 0.00 C ATOM 582 CG2 VAL A 42 4.430 9.253 3.455 1.00 0.00 C ATOM 0 H VAL A 42 3.372 9.486 0.027 1.00 0.00 H new ATOM 0 HA VAL A 42 4.982 7.496 1.540 1.00 0.00 H new ATOM 0 HB VAL A 42 2.558 9.024 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.556 7.531 4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.214 6.649 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.825 6.541 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.983 9.548 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.332 8.671 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.687 10.144 2.883 1.00 0.00 H new ATOM 592 N PHE A 43 3.556 5.686 0.720 1.00 0.00 N ATOM 593 CA PHE A 43 2.830 4.604 0.079 1.00 0.00 C ATOM 594 C PHE A 43 1.685 4.111 0.966 1.00 0.00 C ATOM 595 O PHE A 43 1.458 2.908 1.083 1.00 0.00 O ATOM 596 CB PHE A 43 3.824 3.460 -0.131 1.00 0.00 C ATOM 597 CG PHE A 43 4.769 3.667 -1.316 1.00 0.00 C ATOM 598 CD1 PHE A 43 5.495 4.812 -1.416 1.00 0.00 C ATOM 599 CD2 PHE A 43 4.883 2.704 -2.271 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.372 5.004 -2.516 1.00 0.00 C ATOM 601 CE2 PHE A 43 5.760 2.896 -3.371 1.00 0.00 C ATOM 602 CZ PHE A 43 6.486 4.042 -3.471 1.00 0.00 C ATOM 0 H PHE A 43 4.369 5.392 1.261 1.00 0.00 H new ATOM 0 HA PHE A 43 2.403 4.950 -0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.416 3.336 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.270 2.533 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.405 5.576 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.307 1.794 -2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.949 5.914 -2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.851 2.132 -4.129 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.153 4.188 -4.308 1.00 0.00 H new ATOM 612 N SER A 44 0.993 5.067 1.569 1.00 0.00 N ATOM 613 CA SER A 44 -0.123 4.746 2.442 1.00 0.00 C ATOM 614 C SER A 44 -1.408 5.380 1.904 1.00 0.00 C ATOM 615 O SER A 44 -1.664 6.561 2.131 1.00 0.00 O ATOM 616 CB SER A 44 0.143 5.219 3.873 1.00 0.00 C ATOM 617 OG SER A 44 -0.860 4.768 4.779 1.00 0.00 O ATOM 0 H SER A 44 1.184 6.064 1.470 1.00 0.00 H new ATOM 0 HA SER A 44 -0.241 3.663 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.117 4.855 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.186 6.308 3.893 1.00 0.00 H new ATOM 0 HG SER A 44 -0.654 5.089 5.682 1.00 0.00 H new ATOM 623 N ALA A 45 -2.182 4.566 1.201 1.00 0.00 N ATOM 624 CA ALA A 45 -3.434 5.032 0.629 1.00 0.00 C ATOM 625 C ALA A 45 -4.577 4.143 1.122 1.00 0.00 C ATOM 626 O ALA A 45 -4.484 2.918 1.066 1.00 0.00 O ATOM 627 CB ALA A 45 -3.323 5.048 -0.897 1.00 0.00 C ATOM 0 H ALA A 45 -1.966 3.587 1.015 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.648 6.051 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.262 5.397 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.516 5.717 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.112 4.041 -1.257 1.00 0.00 H new ATOM 633 N THR A 46 -5.630 4.795 1.593 1.00 0.00 N ATOM 634 CA THR A 46 -6.790 4.078 2.095 1.00 0.00 C ATOM 635 C THR A 46 -7.950 4.179 1.102 1.00 0.00 C ATOM 636 O THR A 46 -8.632 5.200 1.041 1.00 0.00 O ATOM 637 CB THR A 46 -7.126 4.634 3.480 1.00 0.00 C ATOM 638 OG1 THR A 46 -6.016 4.251 4.287 1.00 0.00 O ATOM 639 CG2 THR A 46 -8.318 3.922 4.124 1.00 0.00 C ATOM 0 H THR A 46 -5.704 5.811 1.638 1.00 0.00 H new ATOM 0 HA THR A 46 -6.583 3.013 2.198 1.00 0.00 H new ATOM 0 HB THR A 46 -7.340 5.700 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.151 4.573 5.203 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.514 4.355 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.198 4.042 3.492 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.092 2.861 4.234 1.00 0.00 H new ATOM 647 N LEU A 47 -8.137 3.105 0.349 1.00 0.00 N ATOM 648 CA LEU A 47 -9.202 3.060 -0.638 1.00 0.00 C ATOM 649 C LEU A 47 -10.486 2.559 0.026 1.00 0.00 C ATOM 650 O LEU A 47 -10.435 1.875 1.048 1.00 0.00 O ATOM 651 CB LEU A 47 -8.774 2.232 -1.851 1.00 0.00 C ATOM 652 CG LEU A 47 -7.545 2.739 -2.609 1.00 0.00 C ATOM 653 CD1 LEU A 47 -7.257 1.865 -3.832 1.00 0.00 C ATOM 654 CD2 LEU A 47 -7.701 4.214 -2.982 1.00 0.00 C ATOM 0 H LEU A 47 -7.569 2.260 0.403 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.409 4.059 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.577 1.213 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.611 2.184 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.681 2.664 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.379 2.247 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.072 0.840 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.115 1.885 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.814 4.549 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.578 4.338 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.822 4.808 -2.076 1.00 0.00 H new ATOM 666 N GLY A 48 -11.608 2.918 -0.581 1.00 0.00 N ATOM 667 CA GLY A 48 -12.903 2.513 -0.061 1.00 0.00 C ATOM 668 C GLY A 48 -13.909 2.306 -1.195 1.00 0.00 C ATOM 669 O GLY A 48 -14.151 3.215 -1.988 1.00 0.00 O ATOM 0 H GLY A 48 -11.647 3.485 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.797 1.590 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.276 3.272 0.627 1.00 0.00 H new ATOM 673 N LEU A 49 -14.467 1.106 -1.236 1.00 0.00 N ATOM 674 CA LEU A 49 -15.441 0.768 -2.260 1.00 0.00 C ATOM 675 C LEU A 49 -16.717 0.250 -1.593 1.00 0.00 C ATOM 676 O LEU A 49 -16.653 -0.481 -0.606 1.00 0.00 O ATOM 677 CB LEU A 49 -14.837 -0.207 -3.274 1.00 0.00 C ATOM 678 CG LEU A 49 -15.540 -0.284 -4.631 1.00 0.00 C ATOM 679 CD1 LEU A 49 -16.686 -1.296 -4.598 1.00 0.00 C ATOM 680 CD2 LEU A 49 -16.009 1.100 -5.084 1.00 0.00 C ATOM 0 H LEU A 49 -14.263 0.355 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 49 -15.717 1.655 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -13.797 0.072 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.833 -1.203 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.820 -0.638 -5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.169 -1.331 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.293 -2.283 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.414 -0.997 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.505 1.018 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.707 1.506 -4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.149 1.764 -5.173 1.00 0.00 H new ATOM 692 N VAL A 50 -17.846 0.648 -2.160 1.00 0.00 N ATOM 693 CA VAL A 50 -19.135 0.233 -1.632 1.00 0.00 C ATOM 694 C VAL A 50 -20.035 -0.209 -2.788 1.00 0.00 C ATOM 695 O VAL A 50 -20.024 0.399 -3.857 1.00 0.00 O ATOM 696 CB VAL A 50 -19.746 1.360 -0.796 1.00 0.00 C ATOM 697 CG1 VAL A 50 -21.084 0.930 -0.192 1.00 0.00 C ATOM 698 CG2 VAL A 50 -18.775 1.822 0.292 1.00 0.00 C ATOM 0 H VAL A 50 -17.895 1.253 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.018 -0.621 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.934 2.206 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -21.497 1.749 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -21.778 0.672 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -20.931 0.062 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.233 2.623 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -18.541 0.985 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -17.858 2.187 -0.170 1.00 0.00 H new ATOM 708 N ASP A 51 -20.794 -1.265 -2.533 1.00 0.00 N ATOM 709 CA ASP A 51 -21.699 -1.796 -3.539 1.00 0.00 C ATOM 710 C ASP A 51 -23.031 -1.047 -3.467 1.00 0.00 C ATOM 711 O ASP A 51 -23.528 -0.761 -2.379 1.00 0.00 O ATOM 712 CB ASP A 51 -21.978 -3.281 -3.299 1.00 0.00 C ATOM 713 CG ASP A 51 -21.920 -4.160 -4.550 1.00 0.00 C ATOM 714 OD1 ASP A 51 -22.592 -3.789 -5.536 1.00 0.00 O ATOM 715 OD2 ASP A 51 -21.205 -5.184 -4.491 1.00 0.00 O ATOM 0 H ASP A 51 -20.801 -1.767 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 51 -21.230 -1.670 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -21.257 -3.658 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -22.965 -3.382 -2.848 1.00 0.00 H new ATOM 720 N ILE A 52 -23.571 -0.751 -4.640 1.00 0.00 N ATOM 721 CA ILE A 52 -24.836 -0.040 -4.723 1.00 0.00 C ATOM 722 C ILE A 52 -25.984 -1.051 -4.724 1.00 0.00 C ATOM 723 O ILE A 52 -27.049 -0.787 -4.166 1.00 0.00 O ATOM 724 CB ILE A 52 -24.843 0.900 -5.931 1.00 0.00 C ATOM 725 CG1 ILE A 52 -26.176 1.643 -6.038 1.00 0.00 C ATOM 726 CG2 ILE A 52 -24.503 0.143 -7.216 1.00 0.00 C ATOM 727 CD1 ILE A 52 -25.952 3.144 -6.239 1.00 0.00 C ATOM 0 H ILE A 52 -23.156 -0.990 -5.541 1.00 0.00 H new ATOM 0 HA ILE A 52 -24.973 0.598 -3.850 1.00 0.00 H new ATOM 0 HB ILE A 52 -24.067 1.651 -5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.754 1.243 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -26.763 1.477 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -24.515 0.834 -8.059 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -23.512 -0.302 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -25.240 -0.643 -7.381 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -26.915 3.649 -6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -25.395 3.545 -5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -25.386 3.308 -7.156 1.00 0.00 H new ATOM 739 N VAL A 53 -25.730 -2.188 -5.355 1.00 0.00 N ATOM 740 CA VAL A 53 -26.730 -3.239 -5.436 1.00 0.00 C ATOM 741 C VAL A 53 -26.679 -4.083 -4.160 1.00 0.00 C ATOM 742 O VAL A 53 -27.671 -4.184 -3.439 1.00 0.00 O ATOM 743 CB VAL A 53 -26.521 -4.064 -6.707 1.00 0.00 C ATOM 744 CG1 VAL A 53 -27.199 -5.430 -6.592 1.00 0.00 C ATOM 745 CG2 VAL A 53 -27.018 -3.307 -7.940 1.00 0.00 C ATOM 0 H VAL A 53 -24.846 -2.404 -5.815 1.00 0.00 H new ATOM 0 HA VAL A 53 -27.730 -2.811 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 53 -25.450 -4.231 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -27.035 -5.996 -7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -26.777 -5.976 -5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -28.269 -5.293 -6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -26.858 -3.916 -8.830 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -28.082 -3.095 -7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -26.469 -2.370 -8.038 1.00 0.00 H new ATOM 755 N LYS A 54 -25.514 -4.667 -3.921 1.00 0.00 N ATOM 756 CA LYS A 54 -25.322 -5.499 -2.745 1.00 0.00 C ATOM 757 C LYS A 54 -25.433 -4.633 -1.489 1.00 0.00 C ATOM 758 O LYS A 54 -25.616 -5.150 -0.388 1.00 0.00 O ATOM 759 CB LYS A 54 -24.004 -6.271 -2.845 1.00 0.00 C ATOM 760 CG LYS A 54 -24.044 -7.277 -3.997 1.00 0.00 C ATOM 761 CD LYS A 54 -24.087 -8.713 -3.469 1.00 0.00 C ATOM 762 CE LYS A 54 -23.327 -9.661 -4.398 1.00 0.00 C ATOM 763 NZ LYS A 54 -24.154 -10.847 -4.718 1.00 0.00 N ATOM 0 H LYS A 54 -24.694 -4.581 -4.521 1.00 0.00 H new ATOM 0 HA LYS A 54 -26.104 -6.255 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -23.180 -5.573 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -23.812 -6.793 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -24.919 -7.088 -4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -23.167 -7.145 -4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -23.652 -8.750 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -25.123 -9.040 -3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -23.057 -9.140 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -22.397 -9.976 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -23.623 -11.480 -5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -24.391 -11.352 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -25.030 -10.543 -5.189 1.00 0.00 H new ATOM 777 N GLY A 55 -25.319 -3.329 -1.696 1.00 0.00 N ATOM 778 CA GLY A 55 -25.404 -2.386 -0.594 1.00 0.00 C ATOM 779 C GLY A 55 -24.401 -2.737 0.507 1.00 0.00 C ATOM 780 O GLY A 55 -24.653 -2.486 1.685 1.00 0.00 O ATOM 0 H GLY A 55 -25.168 -2.904 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -25.211 -1.377 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -26.414 -2.389 -0.185 1.00 0.00 H new ATOM 784 N THR A 56 -23.285 -3.312 0.085 1.00 0.00 N ATOM 785 CA THR A 56 -22.243 -3.700 1.020 1.00 0.00 C ATOM 786 C THR A 56 -21.121 -2.659 1.030 1.00 0.00 C ATOM 787 O THR A 56 -21.033 -1.828 0.128 1.00 0.00 O ATOM 788 CB THR A 56 -21.766 -5.104 0.642 1.00 0.00 C ATOM 789 OG1 THR A 56 -21.651 -5.060 -0.778 1.00 0.00 O ATOM 790 CG2 THR A 56 -22.832 -6.172 0.896 1.00 0.00 C ATOM 0 H THR A 56 -23.079 -3.519 -0.892 1.00 0.00 H new ATOM 0 HA THR A 56 -22.621 -3.734 2.042 1.00 0.00 H new ATOM 0 HB THR A 56 -20.866 -5.347 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.345 -5.930 -1.109 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.443 -7.149 0.611 1.00 0.00 H new ATOM 0 HG22 THR A 56 -23.094 -6.180 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 56 -23.719 -5.948 0.304 1.00 0.00 H new ATOM 798 N ASN A 57 -20.292 -2.740 2.060 1.00 0.00 N ATOM 799 CA ASN A 57 -19.179 -1.816 2.200 1.00 0.00 C ATOM 800 C ASN A 57 -17.863 -2.583 2.058 1.00 0.00 C ATOM 801 O ASN A 57 -17.740 -3.707 2.543 1.00 0.00 O ATOM 802 CB ASN A 57 -19.189 -1.145 3.575 1.00 0.00 C ATOM 803 CG ASN A 57 -20.277 -0.072 3.653 1.00 0.00 C ATOM 804 OD1 ASN A 57 -21.236 -0.067 2.900 1.00 0.00 O ATOM 805 ND2 ASN A 57 -20.074 0.835 4.605 1.00 0.00 N ATOM 0 H ASN A 57 -20.369 -3.431 2.806 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.275 -1.054 1.426 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -19.356 -1.895 4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -18.215 -0.696 3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -20.743 1.593 4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -19.249 0.772 5.202 1.00 0.00 H new ATOM 812 N SER A 58 -16.913 -1.946 1.390 1.00 0.00 N ATOM 813 CA SER A 58 -15.611 -2.555 1.178 1.00 0.00 C ATOM 814 C SER A 58 -14.513 -1.494 1.283 1.00 0.00 C ATOM 815 O SER A 58 -14.703 -0.356 0.857 1.00 0.00 O ATOM 816 CB SER A 58 -15.544 -3.254 -0.182 1.00 0.00 C ATOM 817 OG SER A 58 -16.653 -4.125 -0.389 1.00 0.00 O ATOM 0 H SER A 58 -17.019 -1.014 0.988 1.00 0.00 H new ATOM 0 HA SER A 58 -15.456 -3.307 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.518 -2.505 -0.974 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.617 -3.824 -0.252 1.00 0.00 H new ATOM 0 HG SER A 58 -16.575 -4.551 -1.268 1.00 0.00 H new ATOM 823 N TYR A 59 -13.390 -1.905 1.853 1.00 0.00 N ATOM 824 CA TYR A 59 -12.263 -1.004 2.020 1.00 0.00 C ATOM 825 C TYR A 59 -10.944 -1.712 1.704 1.00 0.00 C ATOM 826 O TYR A 59 -10.616 -2.725 2.319 1.00 0.00 O ATOM 827 CB TYR A 59 -12.266 -0.592 3.494 1.00 0.00 C ATOM 828 CG TYR A 59 -11.656 -1.635 4.432 1.00 0.00 C ATOM 829 CD1 TYR A 59 -12.444 -2.643 4.951 1.00 0.00 C ATOM 830 CD2 TYR A 59 -10.317 -1.568 4.761 1.00 0.00 C ATOM 831 CE1 TYR A 59 -11.869 -3.624 5.834 1.00 0.00 C ATOM 832 CE2 TYR A 59 -9.742 -2.550 5.644 1.00 0.00 C ATOM 833 CZ TYR A 59 -10.547 -3.529 6.137 1.00 0.00 C ATOM 834 OH TYR A 59 -10.004 -4.456 6.972 1.00 0.00 O ATOM 0 H TYR A 59 -13.237 -2.850 2.205 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.351 -0.151 1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.716 0.343 3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.292 -0.396 3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.492 -2.696 4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.700 -0.779 4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.474 -4.418 6.246 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.696 -2.510 5.908 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.051 -4.264 7.098 1.00 0.00 H new ATOM 844 N TYR A 60 -10.223 -1.150 0.745 1.00 0.00 N ATOM 845 CA TYR A 60 -8.947 -1.714 0.339 1.00 0.00 C ATOM 846 C TYR A 60 -7.788 -0.803 0.750 1.00 0.00 C ATOM 847 O TYR A 60 -7.619 0.281 0.194 1.00 0.00 O ATOM 848 CB TYR A 60 -8.992 -1.805 -1.187 1.00 0.00 C ATOM 849 CG TYR A 60 -7.707 -2.348 -1.817 1.00 0.00 C ATOM 850 CD1 TYR A 60 -6.696 -1.482 -2.179 1.00 0.00 C ATOM 851 CD2 TYR A 60 -7.561 -3.705 -2.022 1.00 0.00 C ATOM 852 CE1 TYR A 60 -5.487 -1.994 -2.771 1.00 0.00 C ATOM 853 CE2 TYR A 60 -6.352 -4.217 -2.614 1.00 0.00 C ATOM 854 CZ TYR A 60 -5.375 -3.336 -2.960 1.00 0.00 C ATOM 855 OH TYR A 60 -4.233 -3.820 -3.519 1.00 0.00 O ATOM 0 H TYR A 60 -10.498 -0.309 0.237 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.789 -2.684 0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.825 -2.444 -1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.193 -0.814 -1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.811 -0.420 -2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.353 -4.383 -1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.687 -1.327 -3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.224 -5.277 -2.779 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.293 -4.795 -3.592 1.00 0.00 H new ATOM 865 N LYS A 61 -7.021 -1.276 1.722 1.00 0.00 N ATOM 866 CA LYS A 61 -5.884 -0.517 2.214 1.00 0.00 C ATOM 867 C LYS A 61 -4.612 -1.004 1.516 1.00 0.00 C ATOM 868 O LYS A 61 -4.440 -2.201 1.296 1.00 0.00 O ATOM 869 CB LYS A 61 -5.813 -0.588 3.740 1.00 0.00 C ATOM 870 CG LYS A 61 -6.071 0.785 4.365 1.00 0.00 C ATOM 871 CD LYS A 61 -4.757 1.518 4.641 1.00 0.00 C ATOM 872 CE LYS A 61 -4.566 1.756 6.140 1.00 0.00 C ATOM 873 NZ LYS A 61 -4.302 0.477 6.839 1.00 0.00 N ATOM 0 H LYS A 61 -7.165 -2.175 2.182 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.997 0.540 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.548 -1.303 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.832 -0.952 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.691 1.382 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.628 0.666 5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.922 0.934 4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.751 2.472 4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.736 2.444 6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.457 2.227 6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.739 0.500 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.706 -0.308 6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.276 0.340 6.936 1.00 0.00 H new ATOM 887 N LEU A 62 -3.753 -0.049 1.189 1.00 0.00 N ATOM 888 CA LEU A 62 -2.502 -0.365 0.521 1.00 0.00 C ATOM 889 C LEU A 62 -1.352 0.341 1.241 1.00 0.00 C ATOM 890 O LEU A 62 -1.319 1.569 1.310 1.00 0.00 O ATOM 891 CB LEU A 62 -2.591 -0.032 -0.970 1.00 0.00 C ATOM 892 CG LEU A 62 -1.608 -0.769 -1.882 1.00 0.00 C ATOM 893 CD1 LEU A 62 -2.062 -2.208 -2.129 1.00 0.00 C ATOM 894 CD2 LEU A 62 -1.393 -0.003 -3.189 1.00 0.00 C ATOM 0 H LEU A 62 -3.899 0.943 1.374 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.302 -1.435 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.604 -0.248 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.436 1.040 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.644 -0.819 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.346 -2.709 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.122 -2.739 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.043 -2.204 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.690 -0.548 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.344 0.100 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.991 0.986 -2.969 1.00 0.00 H new ATOM 906 N GLN A 63 -0.437 -0.464 1.760 1.00 0.00 N ATOM 907 CA GLN A 63 0.712 0.069 2.472 1.00 0.00 C ATOM 908 C GLN A 63 1.977 -0.704 2.093 1.00 0.00 C ATOM 909 O GLN A 63 2.070 -1.906 2.334 1.00 0.00 O ATOM 910 CB GLN A 63 0.483 0.036 3.985 1.00 0.00 C ATOM 911 CG GLN A 63 -0.404 1.201 4.431 1.00 0.00 C ATOM 912 CD GLN A 63 -0.392 1.347 5.954 1.00 0.00 C ATOM 913 OE1 GLN A 63 -1.122 0.685 6.672 1.00 0.00 O ATOM 914 NE2 GLN A 63 0.476 2.249 6.404 1.00 0.00 N ATOM 0 H GLN A 63 -0.468 -1.482 1.702 1.00 0.00 H new ATOM 0 HA GLN A 63 0.845 1.111 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.017 -0.909 4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.441 0.085 4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.055 2.125 3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.425 1.038 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.058 2.769 5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.560 2.421 7.406 1.00 0.00 H new ATOM 923 N LEU A 64 2.919 0.019 1.505 1.00 0.00 N ATOM 924 CA LEU A 64 4.174 -0.583 1.089 1.00 0.00 C ATOM 925 C LEU A 64 5.252 -0.273 2.130 1.00 0.00 C ATOM 926 O LEU A 64 5.773 0.840 2.176 1.00 0.00 O ATOM 927 CB LEU A 64 4.540 -0.136 -0.328 1.00 0.00 C ATOM 928 CG LEU A 64 5.960 -0.469 -0.790 1.00 0.00 C ATOM 929 CD1 LEU A 64 6.432 -1.798 -0.198 1.00 0.00 C ATOM 930 CD2 LEU A 64 6.056 -0.456 -2.317 1.00 0.00 C ATOM 0 H LEU A 64 2.838 1.016 1.307 1.00 0.00 H new ATOM 0 HA LEU A 64 4.079 -1.668 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.836 -0.592 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.401 0.943 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 64 6.631 0.305 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.444 -2.011 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.425 -1.735 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.764 -2.597 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.075 -0.696 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.371 -1.196 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.790 0.533 -2.690 1.00 0.00 H new ATOM 942 N LEU A 65 5.556 -1.278 2.938 1.00 0.00 N ATOM 943 CA LEU A 65 6.562 -1.126 3.975 1.00 0.00 C ATOM 944 C LEU A 65 7.954 -1.220 3.346 1.00 0.00 C ATOM 945 O LEU A 65 8.109 -1.762 2.253 1.00 0.00 O ATOM 946 CB LEU A 65 6.327 -2.135 5.102 1.00 0.00 C ATOM 947 CG LEU A 65 4.867 -2.383 5.486 1.00 0.00 C ATOM 948 CD1 LEU A 65 4.758 -3.481 6.546 1.00 0.00 C ATOM 949 CD2 LEU A 65 4.191 -1.085 5.934 1.00 0.00 C ATOM 0 H LEU A 65 5.123 -2.201 2.895 1.00 0.00 H new ATOM 0 HA LEU A 65 6.486 -0.142 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.772 -3.086 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.862 -1.792 5.988 1.00 0.00 H new ATOM 0 HG LEU A 65 4.336 -2.735 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.710 -3.638 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.179 -4.407 6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.308 -3.181 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.154 -1.288 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.716 -0.681 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.220 -0.360 5.121 1.00 0.00 H new ATOM 961 N GLU A 66 8.930 -0.684 4.064 1.00 0.00 N ATOM 962 CA GLU A 66 10.303 -0.701 3.590 1.00 0.00 C ATOM 963 C GLU A 66 11.274 -0.701 4.773 1.00 0.00 C ATOM 964 O GLU A 66 11.290 0.239 5.567 1.00 0.00 O ATOM 965 CB GLU A 66 10.576 0.481 2.657 1.00 0.00 C ATOM 966 CG GLU A 66 12.061 0.847 2.655 1.00 0.00 C ATOM 967 CD GLU A 66 12.336 2.030 3.586 1.00 0.00 C ATOM 968 OE1 GLU A 66 11.598 3.031 3.464 1.00 0.00 O ATOM 969 OE2 GLU A 66 13.278 1.906 4.399 1.00 0.00 O ATOM 0 H GLU A 66 8.797 -0.235 4.970 1.00 0.00 H new ATOM 0 HA GLU A 66 10.458 -1.616 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.258 0.231 1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.986 1.342 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.652 -0.013 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.376 1.096 1.642 1.00 0.00 H new ATOM 976 N ASP A 67 12.059 -1.765 4.853 1.00 0.00 N ATOM 977 CA ASP A 67 13.029 -1.899 5.926 1.00 0.00 C ATOM 978 C ASP A 67 14.067 -0.781 5.812 1.00 0.00 C ATOM 979 O ASP A 67 14.487 -0.429 4.711 1.00 0.00 O ATOM 980 CB ASP A 67 13.765 -3.238 5.839 1.00 0.00 C ATOM 981 CG ASP A 67 13.961 -3.957 7.175 1.00 0.00 C ATOM 982 OD1 ASP A 67 14.789 -3.461 7.970 1.00 0.00 O ATOM 983 OD2 ASP A 67 13.279 -4.985 7.371 1.00 0.00 O ATOM 0 H ASP A 67 12.043 -2.542 4.192 1.00 0.00 H new ATOM 0 HA ASP A 67 12.493 -1.842 6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.213 -3.896 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.743 -3.069 5.388 1.00 0.00 H new ATOM 988 N ASP A 68 14.451 -0.253 6.966 1.00 0.00 N ATOM 989 CA ASP A 68 15.431 0.818 7.009 1.00 0.00 C ATOM 990 C ASP A 68 16.808 0.231 7.326 1.00 0.00 C ATOM 991 O ASP A 68 17.736 0.348 6.527 1.00 0.00 O ATOM 992 CB ASP A 68 15.088 1.834 8.100 1.00 0.00 C ATOM 993 CG ASP A 68 15.737 3.210 7.929 1.00 0.00 C ATOM 994 OD1 ASP A 68 16.984 3.243 7.853 1.00 0.00 O ATOM 995 OD2 ASP A 68 14.971 4.196 7.879 1.00 0.00 O ATOM 0 H ASP A 68 14.101 -0.548 7.878 1.00 0.00 H new ATOM 0 HA ASP A 68 15.430 1.315 6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.006 1.961 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.388 1.424 9.064 1.00 0.00 H new ATOM 1051 N ARG A 72 14.925 -4.666 3.076 1.00 0.00 N ATOM 1052 CA ARG A 72 13.780 -5.555 2.976 1.00 0.00 C ATOM 1053 C ARG A 72 12.491 -4.744 2.822 1.00 0.00 C ATOM 1054 O ARG A 72 12.463 -3.552 3.123 1.00 0.00 O ATOM 1055 CB ARG A 72 13.667 -6.450 4.211 1.00 0.00 C ATOM 1056 CG ARG A 72 14.441 -7.755 4.015 1.00 0.00 C ATOM 1057 CD ARG A 72 14.457 -8.582 5.302 1.00 0.00 C ATOM 1058 NE ARG A 72 15.599 -9.523 5.285 1.00 0.00 N ATOM 1059 CZ ARG A 72 15.900 -10.357 6.289 1.00 0.00 C ATOM 1060 NH1 ARG A 72 15.146 -10.372 7.397 1.00 0.00 N ATOM 1061 NH2 ARG A 72 16.955 -11.177 6.186 1.00 0.00 N ATOM 0 HA ARG A 72 13.925 -6.185 2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.052 -5.922 5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.618 -6.671 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.986 -8.335 3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.463 -7.533 3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.531 -7.923 6.167 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.522 -9.134 5.401 1.00 0.00 H new ATOM 0 HE ARG A 72 16.194 -9.537 4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.343 -9.748 7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.375 -11.007 8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.529 -11.166 5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.184 -11.812 6.951 1.00 0.00 H new ATOM 1075 N TYR A 73 11.455 -5.424 2.354 1.00 0.00 N ATOM 1076 CA TYR A 73 10.166 -4.783 2.157 1.00 0.00 C ATOM 1077 C TYR A 73 9.027 -5.799 2.256 1.00 0.00 C ATOM 1078 O TYR A 73 9.260 -7.006 2.202 1.00 0.00 O ATOM 1079 CB TYR A 73 10.195 -4.204 0.741 1.00 0.00 C ATOM 1080 CG TYR A 73 11.468 -3.419 0.416 1.00 0.00 C ATOM 1081 CD1 TYR A 73 12.626 -4.091 0.081 1.00 0.00 C ATOM 1082 CD2 TYR A 73 11.457 -2.040 0.457 1.00 0.00 C ATOM 1083 CE1 TYR A 73 13.824 -3.353 -0.225 1.00 0.00 C ATOM 1084 CE2 TYR A 73 12.655 -1.301 0.151 1.00 0.00 C ATOM 1085 CZ TYR A 73 13.779 -1.994 -0.175 1.00 0.00 C ATOM 1086 OH TYR A 73 14.910 -1.297 -0.464 1.00 0.00 O ATOM 0 H TYR A 73 11.482 -6.413 2.105 1.00 0.00 H new ATOM 0 HA TYR A 73 9.997 -4.021 2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.090 -5.018 0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.333 -3.550 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 73 12.634 -5.170 0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.550 -1.515 0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 73 14.737 -3.866 -0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.661 -0.221 0.180 1.00 0.00 H new ATOM 0 HH TYR A 73 14.730 -0.336 -0.389 1.00 0.00 H new ATOM 1096 N TRP A 74 7.819 -5.274 2.398 1.00 0.00 N ATOM 1097 CA TRP A 74 6.642 -6.121 2.505 1.00 0.00 C ATOM 1098 C TRP A 74 5.474 -5.394 1.836 1.00 0.00 C ATOM 1099 O TRP A 74 5.465 -4.166 1.758 1.00 0.00 O ATOM 1100 CB TRP A 74 6.362 -6.487 3.964 1.00 0.00 C ATOM 1101 CG TRP A 74 7.373 -7.465 4.565 1.00 0.00 C ATOM 1102 CD1 TRP A 74 7.301 -8.803 4.611 1.00 0.00 C ATOM 1103 CD2 TRP A 74 8.619 -7.126 5.209 1.00 0.00 C ATOM 1104 NE1 TRP A 74 8.405 -9.348 5.235 1.00 0.00 N ATOM 1105 CE2 TRP A 74 9.232 -8.295 5.610 1.00 0.00 C ATOM 1106 CE3 TRP A 74 9.209 -5.871 5.445 1.00 0.00 C ATOM 1107 CZ2 TRP A 74 10.465 -8.327 6.271 1.00 0.00 C ATOM 1108 CZ3 TRP A 74 10.442 -5.920 6.107 1.00 0.00 C ATOM 1109 CH2 TRP A 74 11.072 -7.089 6.517 1.00 0.00 C ATOM 0 H TRP A 74 7.629 -4.273 2.442 1.00 0.00 H new ATOM 0 HA TRP A 74 6.801 -7.070 1.992 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.354 -5.575 4.562 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.365 -6.922 4.034 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.482 -9.382 4.210 1.00 0.00 H new ATOM 0 HE1 TRP A 74 8.582 -10.340 5.392 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.748 -4.943 5.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.924 -9.256 6.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.938 -4.983 6.314 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.025 -7.043 7.023 1.00 0.00 H new ATOM 1120 N ILE A 75 4.517 -6.182 1.370 1.00 0.00 N ATOM 1121 CA ILE A 75 3.346 -5.629 0.710 1.00 0.00 C ATOM 1122 C ILE A 75 2.096 -5.981 1.519 1.00 0.00 C ATOM 1123 O ILE A 75 1.556 -7.078 1.387 1.00 0.00 O ATOM 1124 CB ILE A 75 3.286 -6.090 -0.748 1.00 0.00 C ATOM 1125 CG1 ILE A 75 4.262 -5.293 -1.615 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.855 -6.022 -1.285 1.00 0.00 C ATOM 1127 CD1 ILE A 75 3.667 -3.939 -2.009 1.00 0.00 C ATOM 0 H ILE A 75 4.528 -7.200 1.436 1.00 0.00 H new ATOM 0 HA ILE A 75 3.406 -4.541 0.674 1.00 0.00 H new ATOM 0 HB ILE A 75 3.597 -7.134 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.195 -5.140 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.505 -5.862 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.840 -6.355 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.211 -6.667 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.493 -4.995 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.382 -3.393 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.747 -4.096 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.448 -3.363 -1.110 1.00 0.00 H new ATOM 1139 N PHE A 76 1.673 -5.029 2.338 1.00 0.00 N ATOM 1140 CA PHE A 76 0.497 -5.225 3.168 1.00 0.00 C ATOM 1141 C PHE A 76 -0.769 -4.764 2.442 1.00 0.00 C ATOM 1142 O PHE A 76 -0.965 -3.569 2.226 1.00 0.00 O ATOM 1143 CB PHE A 76 0.689 -4.373 4.424 1.00 0.00 C ATOM 1144 CG PHE A 76 -0.480 -4.444 5.409 1.00 0.00 C ATOM 1145 CD1 PHE A 76 -0.589 -5.498 6.261 1.00 0.00 C ATOM 1146 CD2 PHE A 76 -1.411 -3.452 5.432 1.00 0.00 C ATOM 1147 CE1 PHE A 76 -1.674 -5.564 7.175 1.00 0.00 C ATOM 1148 CE2 PHE A 76 -2.496 -3.518 6.346 1.00 0.00 C ATOM 1149 CZ PHE A 76 -2.604 -4.572 7.198 1.00 0.00 C ATOM 0 H PHE A 76 2.124 -4.120 2.444 1.00 0.00 H new ATOM 0 HA PHE A 76 0.382 -6.282 3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.599 -4.693 4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.838 -3.335 4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.150 -6.285 6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.325 -2.615 4.755 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.760 -6.401 7.851 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.235 -2.731 6.364 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.429 -4.621 7.893 1.00 0.00 H new ATOM 1159 N ARG A 77 -1.596 -5.736 2.086 1.00 0.00 N ATOM 1160 CA ARG A 77 -2.837 -5.446 1.390 1.00 0.00 C ATOM 1161 C ARG A 77 -4.034 -5.912 2.221 1.00 0.00 C ATOM 1162 O ARG A 77 -4.208 -7.108 2.448 1.00 0.00 O ATOM 1163 CB ARG A 77 -2.876 -6.132 0.023 1.00 0.00 C ATOM 1164 CG ARG A 77 -1.474 -6.226 -0.583 1.00 0.00 C ATOM 1165 CD ARG A 77 -1.160 -4.992 -1.432 1.00 0.00 C ATOM 1166 NE ARG A 77 -0.431 -3.992 -0.621 1.00 0.00 N ATOM 1167 CZ ARG A 77 0.567 -3.230 -1.088 1.00 0.00 C ATOM 1168 NH1 ARG A 77 0.961 -3.349 -2.363 1.00 0.00 N ATOM 1169 NH2 ARG A 77 1.172 -2.348 -0.280 1.00 0.00 N ATOM 0 H ARG A 77 -1.430 -6.726 2.267 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.890 -4.367 1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.300 -7.131 0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.530 -5.576 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.736 -6.322 0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.399 -7.123 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.561 -5.278 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.084 -4.559 -1.814 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.705 -3.876 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.501 -4.020 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.721 -2.769 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.873 -2.257 0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.932 -1.768 -0.636 1.00 0.00 H new ATOM 1183 N SER A 78 -4.828 -4.943 2.652 1.00 0.00 N ATOM 1184 CA SER A 78 -6.004 -5.239 3.453 1.00 0.00 C ATOM 1185 C SER A 78 -7.268 -5.078 2.606 1.00 0.00 C ATOM 1186 O SER A 78 -7.330 -4.212 1.735 1.00 0.00 O ATOM 1187 CB SER A 78 -6.072 -4.335 4.686 1.00 0.00 C ATOM 1188 OG SER A 78 -7.109 -3.364 4.579 1.00 0.00 O ATOM 0 H SER A 78 -4.680 -3.952 2.462 1.00 0.00 H new ATOM 0 HA SER A 78 -5.934 -6.271 3.796 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.237 -4.945 5.574 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.115 -3.830 4.819 1.00 0.00 H new ATOM 0 HG SER A 78 -7.929 -3.715 4.985 1.00 0.00 H new ATOM 1194 N TRP A 79 -8.245 -5.927 2.892 1.00 0.00 N ATOM 1195 CA TRP A 79 -9.504 -5.890 2.168 1.00 0.00 C ATOM 1196 C TRP A 79 -10.566 -6.573 3.031 1.00 0.00 C ATOM 1197 O TRP A 79 -10.256 -7.114 4.091 1.00 0.00 O ATOM 1198 CB TRP A 79 -9.359 -6.525 0.784 1.00 0.00 C ATOM 1199 CG TRP A 79 -9.068 -8.027 0.816 1.00 0.00 C ATOM 1200 CD1 TRP A 79 -9.925 -9.028 1.061 1.00 0.00 C ATOM 1201 CD2 TRP A 79 -7.793 -8.661 0.584 1.00 0.00 C ATOM 1202 NE1 TRP A 79 -9.297 -10.256 1.004 1.00 0.00 N ATOM 1203 CE2 TRP A 79 -7.959 -10.026 0.705 1.00 0.00 C ATOM 1204 CE3 TRP A 79 -6.539 -8.100 0.282 1.00 0.00 C ATOM 1205 CZ2 TRP A 79 -6.915 -10.943 0.540 1.00 0.00 C ATOM 1206 CZ3 TRP A 79 -5.506 -9.031 0.121 1.00 0.00 C ATOM 1207 CH2 TRP A 79 -5.657 -10.407 0.239 1.00 0.00 C ATOM 0 H TRP A 79 -8.190 -6.644 3.615 1.00 0.00 H new ATOM 0 HA TRP A 79 -9.814 -4.861 1.985 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.276 -6.355 0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.556 -6.021 0.247 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -10.975 -8.891 1.276 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.734 -11.165 1.154 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.385 -7.036 0.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.071 -12.007 0.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -4.522 -8.653 -0.112 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -4.808 -11.060 0.099 1.00 0.00 H new ATOM 1218 N GLY A 80 -11.798 -6.526 2.545 1.00 0.00 N ATOM 1219 CA GLY A 80 -12.908 -7.133 3.259 1.00 0.00 C ATOM 1220 C GLY A 80 -13.951 -6.083 3.648 1.00 0.00 C ATOM 1221 O GLY A 80 -13.728 -4.887 3.469 1.00 0.00 O ATOM 0 H GLY A 80 -12.052 -6.077 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.372 -7.897 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.539 -7.633 4.154 1.00 0.00 H new ATOM 1225 N ARG A 81 -15.066 -6.569 4.172 1.00 0.00 N ATOM 1226 CA ARG A 81 -16.144 -5.687 4.588 1.00 0.00 C ATOM 1227 C ARG A 81 -15.659 -4.738 5.685 1.00 0.00 C ATOM 1228 O ARG A 81 -14.606 -4.957 6.280 1.00 0.00 O ATOM 1229 CB ARG A 81 -17.341 -6.487 5.106 1.00 0.00 C ATOM 1230 CG ARG A 81 -18.530 -6.375 4.151 1.00 0.00 C ATOM 1231 CD ARG A 81 -18.455 -7.438 3.054 1.00 0.00 C ATOM 1232 NE ARG A 81 -19.549 -8.420 3.225 1.00 0.00 N ATOM 1233 CZ ARG A 81 -20.016 -9.204 2.243 1.00 0.00 C ATOM 1234 NH1 ARG A 81 -19.487 -9.125 1.015 1.00 0.00 N ATOM 1235 NH2 ARG A 81 -21.012 -10.066 2.490 1.00 0.00 N ATOM 0 H ARG A 81 -15.247 -7.562 4.318 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.457 -5.111 3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.060 -7.534 5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -17.627 -6.123 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -19.460 -6.487 4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.546 -5.383 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.528 -6.967 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.491 -7.945 3.093 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.974 -8.506 4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.729 -8.469 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.842 -9.721 0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.415 -10.126 3.425 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.367 -10.662 1.743 1.00 0.00 H new ATOM 1328 N SER A 88 -9.602 -9.509 5.783 1.00 0.00 N ATOM 1329 CA SER A 88 -8.333 -10.206 5.656 1.00 0.00 C ATOM 1330 C SER A 88 -7.274 -9.263 5.081 1.00 0.00 C ATOM 1331 O SER A 88 -7.596 -8.168 4.622 1.00 0.00 O ATOM 1332 CB SER A 88 -8.473 -11.449 4.775 1.00 0.00 C ATOM 1333 OG SER A 88 -8.703 -12.626 5.545 1.00 0.00 O ATOM 0 HA SER A 88 -8.020 -10.531 6.648 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.297 -11.307 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.568 -11.576 4.180 1.00 0.00 H new ATOM 0 HG SER A 88 -8.788 -13.397 4.946 1.00 0.00 H new ATOM 1339 N ASN A 89 -6.033 -9.723 5.124 1.00 0.00 N ATOM 1340 CA ASN A 89 -4.924 -8.934 4.613 1.00 0.00 C ATOM 1341 C ASN A 89 -3.960 -9.849 3.855 1.00 0.00 C ATOM 1342 O ASN A 89 -4.206 -11.048 3.730 1.00 0.00 O ATOM 1343 CB ASN A 89 -4.149 -8.271 5.753 1.00 0.00 C ATOM 1344 CG ASN A 89 -3.908 -9.255 6.899 1.00 0.00 C ATOM 1345 OD1 ASN A 89 -4.639 -9.304 7.874 1.00 0.00 O ATOM 1346 ND2 ASN A 89 -2.844 -10.035 6.727 1.00 0.00 N ATOM 0 H ASN A 89 -5.770 -10.632 5.505 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.331 -8.164 3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.194 -7.900 5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.704 -7.408 6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -2.598 -10.726 7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -2.274 -9.942 5.886 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.884 -9.248 3.369 1.00 0.00 N ATOM 1354 CA LYS A 90 -1.882 -9.994 2.627 1.00 0.00 C ATOM 1355 C LYS A 90 -0.503 -9.383 2.884 1.00 0.00 C ATOM 1356 O LYS A 90 -0.256 -8.229 2.536 1.00 0.00 O ATOM 1357 CB LYS A 90 -2.256 -10.065 1.145 1.00 0.00 C ATOM 1358 CG LYS A 90 -1.040 -10.427 0.289 1.00 0.00 C ATOM 1359 CD LYS A 90 -1.382 -11.537 -0.707 1.00 0.00 C ATOM 1360 CE LYS A 90 -0.484 -11.459 -1.943 1.00 0.00 C ATOM 1361 NZ LYS A 90 0.076 -12.792 -2.262 1.00 0.00 N ATOM 0 H LYS A 90 -2.684 -8.253 3.475 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.843 -11.027 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.041 -10.807 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.660 -9.106 0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.694 -9.545 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.221 -10.750 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.264 -12.509 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.427 -11.453 -1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.056 -11.086 -2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.325 -10.750 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.761 -12.704 -3.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.553 -13.178 -1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.692 -13.432 -2.549 1.00 0.00 H new ATOM 1375 N LEU A 91 0.360 -10.184 3.493 1.00 0.00 N ATOM 1376 CA LEU A 91 1.707 -9.736 3.801 1.00 0.00 C ATOM 1377 C LEU A 91 2.716 -10.655 3.108 1.00 0.00 C ATOM 1378 O LEU A 91 2.807 -11.838 3.431 1.00 0.00 O ATOM 1379 CB LEU A 91 1.905 -9.636 5.315 1.00 0.00 C ATOM 1380 CG LEU A 91 3.196 -8.959 5.779 1.00 0.00 C ATOM 1381 CD1 LEU A 91 3.102 -7.439 5.630 1.00 0.00 C ATOM 1382 CD2 LEU A 91 3.550 -9.374 7.209 1.00 0.00 C ATOM 0 H LEU A 91 0.152 -11.140 3.781 1.00 0.00 H new ATOM 0 HA LEU A 91 1.872 -8.731 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.060 -9.091 5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.875 -10.642 5.733 1.00 0.00 H new ATOM 0 HG LEU A 91 4.009 -9.296 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.033 -6.982 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.931 -7.186 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.275 -7.065 6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.472 -8.879 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.743 -9.085 7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.688 -10.454 7.251 1.00 0.00 H new ATOM 1394 N GLU A 92 3.448 -10.075 2.169 1.00 0.00 N ATOM 1395 CA GLU A 92 4.446 -10.826 1.428 1.00 0.00 C ATOM 1396 C GLU A 92 5.716 -9.991 1.251 1.00 0.00 C ATOM 1397 O GLU A 92 5.645 -8.813 0.905 1.00 0.00 O ATOM 1398 CB GLU A 92 3.897 -11.282 0.074 1.00 0.00 C ATOM 1399 CG GLU A 92 3.093 -12.576 0.217 1.00 0.00 C ATOM 1400 CD GLU A 92 3.708 -13.699 -0.620 1.00 0.00 C ATOM 1401 OE1 GLU A 92 3.702 -13.551 -1.861 1.00 0.00 O ATOM 1402 OE2 GLU A 92 4.171 -14.681 0.000 1.00 0.00 O ATOM 0 H GLU A 92 3.370 -9.093 1.904 1.00 0.00 H new ATOM 0 HA GLU A 92 4.698 -11.719 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.264 -10.501 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.720 -11.436 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.061 -12.874 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.063 -12.405 -0.097 1.00 0.00 H new ATOM 1409 N GLN A 93 6.848 -10.634 1.496 1.00 0.00 N ATOM 1410 CA GLN A 93 8.132 -9.965 1.368 1.00 0.00 C ATOM 1411 C GLN A 93 8.521 -9.841 -0.107 1.00 0.00 C ATOM 1412 O GLN A 93 8.640 -10.844 -0.808 1.00 0.00 O ATOM 1413 CB GLN A 93 9.214 -10.700 2.160 1.00 0.00 C ATOM 1414 CG GLN A 93 10.536 -9.930 2.128 1.00 0.00 C ATOM 1415 CD GLN A 93 11.621 -10.733 1.407 1.00 0.00 C ATOM 1416 OE1 GLN A 93 11.657 -10.826 0.192 1.00 0.00 O ATOM 1417 NE2 GLN A 93 12.502 -11.305 2.223 1.00 0.00 N ATOM 0 H GLN A 93 6.903 -11.611 1.783 1.00 0.00 H new ATOM 0 HA GLN A 93 8.041 -8.962 1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.889 -10.829 3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.360 -11.697 1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.392 -8.974 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.857 -9.710 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.414 -11.187 3.232 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.266 -11.862 1.839 1.00 0.00 H new ATOM 1426 N MET A 94 8.708 -8.600 -0.534 1.00 0.00 N ATOM 1427 CA MET A 94 9.081 -8.332 -1.912 1.00 0.00 C ATOM 1428 C MET A 94 10.575 -8.577 -2.134 1.00 0.00 C ATOM 1429 O MET A 94 11.383 -8.358 -1.233 1.00 0.00 O ATOM 1430 CB MET A 94 8.744 -6.880 -2.259 1.00 0.00 C ATOM 1431 CG MET A 94 7.373 -6.488 -1.705 1.00 0.00 C ATOM 1432 SD MET A 94 6.185 -7.774 -2.048 1.00 0.00 S ATOM 1433 CE MET A 94 6.079 -7.632 -3.825 1.00 0.00 C ATOM 0 H MET A 94 8.608 -7.770 0.050 1.00 0.00 H new ATOM 0 HA MET A 94 8.522 -9.009 -2.558 1.00 0.00 H new ATOM 0 HB2 MET A 94 9.508 -6.218 -1.851 1.00 0.00 H new ATOM 0 HB3 MET A 94 8.754 -6.749 -3.341 1.00 0.00 H new ATOM 0 HG2 MET A 94 7.440 -6.321 -0.630 1.00 0.00 H new ATOM 0 HG3 MET A 94 7.045 -5.550 -2.153 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.373 -8.370 -4.207 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.738 -6.631 -4.090 1.00 0.00 H new ATOM 0 HE3 MET A 94 7.061 -7.808 -4.263 1.00 0.00 H new ATOM 1443 N PRO A 95 10.904 -9.040 -3.369 1.00 0.00 N ATOM 1444 CA PRO A 95 12.287 -9.317 -3.720 1.00 0.00 C ATOM 1445 C PRO A 95 13.062 -8.020 -3.962 1.00 0.00 C ATOM 1446 O PRO A 95 14.061 -7.756 -3.295 1.00 0.00 O ATOM 1447 CB PRO A 95 12.210 -10.201 -4.954 1.00 0.00 C ATOM 1448 CG PRO A 95 10.812 -10.006 -5.520 1.00 0.00 C ATOM 1449 CD PRO A 95 9.973 -9.311 -4.461 1.00 0.00 C ATOM 0 HA PRO A 95 12.831 -9.818 -2.920 1.00 0.00 H new ATOM 0 HB2 PRO A 95 12.969 -9.920 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.385 -11.246 -4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.849 -9.408 -6.431 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.371 -10.966 -5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.534 -8.390 -4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.149 -9.943 -4.131 1.00 0.00 H new ATOM 1457 N SER A 96 12.571 -7.245 -4.918 1.00 0.00 N ATOM 1458 CA SER A 96 13.205 -5.982 -5.256 1.00 0.00 C ATOM 1459 C SER A 96 12.240 -4.824 -4.991 1.00 0.00 C ATOM 1460 O SER A 96 11.059 -4.907 -5.324 1.00 0.00 O ATOM 1461 CB SER A 96 13.662 -5.968 -6.716 1.00 0.00 C ATOM 1462 OG SER A 96 15.022 -5.563 -6.846 1.00 0.00 O ATOM 0 H SER A 96 11.742 -7.467 -5.469 1.00 0.00 H new ATOM 0 HA SER A 96 14.087 -5.863 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.537 -6.963 -7.144 1.00 0.00 H new ATOM 0 HB3 SER A 96 13.026 -5.292 -7.288 1.00 0.00 H new ATOM 0 HG SER A 96 15.276 -5.569 -7.793 1.00 0.00 H new ATOM 1468 N LYS A 97 12.779 -3.772 -4.393 1.00 0.00 N ATOM 1469 CA LYS A 97 11.981 -2.599 -4.079 1.00 0.00 C ATOM 1470 C LYS A 97 11.015 -2.322 -5.233 1.00 0.00 C ATOM 1471 O LYS A 97 9.801 -2.282 -5.036 1.00 0.00 O ATOM 1472 CB LYS A 97 12.883 -1.413 -3.734 1.00 0.00 C ATOM 1473 CG LYS A 97 12.057 -0.213 -3.266 1.00 0.00 C ATOM 1474 CD LYS A 97 11.153 -0.594 -2.092 1.00 0.00 C ATOM 1475 CE LYS A 97 9.676 -0.482 -2.478 1.00 0.00 C ATOM 1476 NZ LYS A 97 8.823 -1.132 -1.459 1.00 0.00 N ATOM 0 H LYS A 97 13.759 -3.707 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 97 11.375 -2.777 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.586 -1.702 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.473 -1.134 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.723 0.598 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.450 0.159 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.373 -1.613 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.361 0.056 -1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.399 0.567 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.512 -0.948 -3.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.014 -1.591 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.378 -1.847 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.476 -0.416 -0.789 1.00 0.00 H new ATOM 1490 N GLU A 98 11.590 -2.137 -6.412 1.00 0.00 N ATOM 1491 CA GLU A 98 10.795 -1.864 -7.598 1.00 0.00 C ATOM 1492 C GLU A 98 9.621 -2.841 -7.686 1.00 0.00 C ATOM 1493 O GLU A 98 8.481 -2.431 -7.900 1.00 0.00 O ATOM 1494 CB GLU A 98 11.656 -1.925 -8.861 1.00 0.00 C ATOM 1495 CG GLU A 98 12.690 -0.798 -8.875 1.00 0.00 C ATOM 1496 CD GLU A 98 12.701 -0.080 -10.226 1.00 0.00 C ATOM 1497 OE1 GLU A 98 13.458 -0.541 -11.107 1.00 0.00 O ATOM 1498 OE2 GLU A 98 11.952 0.913 -10.347 1.00 0.00 O ATOM 0 H GLU A 98 12.597 -2.171 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 98 10.395 -0.853 -7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.163 -2.889 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.020 -1.851 -9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.466 -0.085 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.680 -1.205 -8.668 1.00 0.00 H new ATOM 1505 N ASP A 99 9.940 -4.116 -7.518 1.00 0.00 N ATOM 1506 CA ASP A 99 8.926 -5.155 -7.576 1.00 0.00 C ATOM 1507 C ASP A 99 7.891 -4.914 -6.476 1.00 0.00 C ATOM 1508 O ASP A 99 6.738 -5.324 -6.602 1.00 0.00 O ATOM 1509 CB ASP A 99 9.541 -6.538 -7.351 1.00 0.00 C ATOM 1510 CG ASP A 99 10.462 -7.026 -8.471 1.00 0.00 C ATOM 1511 OD1 ASP A 99 11.053 -6.152 -9.141 1.00 0.00 O ATOM 1512 OD2 ASP A 99 10.556 -8.262 -8.631 1.00 0.00 O ATOM 0 H ASP A 99 10.886 -4.453 -7.342 1.00 0.00 H new ATOM 0 HA ASP A 99 8.465 -5.121 -8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.105 -6.521 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.735 -7.261 -7.223 1.00 0.00 H new ATOM 1517 N ALA A 100 8.339 -4.249 -5.421 1.00 0.00 N ATOM 1518 CA ALA A 100 7.466 -3.948 -4.299 1.00 0.00 C ATOM 1519 C ALA A 100 6.598 -2.737 -4.645 1.00 0.00 C ATOM 1520 O ALA A 100 5.409 -2.710 -4.331 1.00 0.00 O ATOM 1521 CB ALA A 100 8.309 -3.722 -3.042 1.00 0.00 C ATOM 0 H ALA A 100 9.296 -3.910 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 100 6.798 -4.785 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.654 -3.496 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.884 -4.622 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.990 -2.887 -3.206 1.00 0.00 H new ATOM 1527 N ILE A 101 7.227 -1.763 -5.287 1.00 0.00 N ATOM 1528 CA ILE A 101 6.526 -0.551 -5.679 1.00 0.00 C ATOM 1529 C ILE A 101 5.457 -0.898 -6.717 1.00 0.00 C ATOM 1530 O ILE A 101 4.294 -0.529 -6.562 1.00 0.00 O ATOM 1531 CB ILE A 101 7.519 0.513 -6.151 1.00 0.00 C ATOM 1532 CG1 ILE A 101 8.286 1.110 -4.969 1.00 0.00 C ATOM 1533 CG2 ILE A 101 6.817 1.589 -6.981 1.00 0.00 C ATOM 1534 CD1 ILE A 101 9.757 1.334 -5.326 1.00 0.00 C ATOM 0 H ILE A 101 8.213 -1.788 -5.545 1.00 0.00 H new ATOM 0 HA ILE A 101 6.010 -0.116 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 101 8.251 0.033 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.831 2.056 -4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.214 0.443 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.546 2.333 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.355 1.130 -7.855 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.049 2.072 -6.376 1.00 0.00 H new ATOM 0 HD11 ILE A 101 10.279 1.759 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.215 0.382 -5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.826 2.021 -6.170 1.00 0.00 H new ATOM 1546 N GLU A 102 5.890 -1.604 -7.751 1.00 0.00 N ATOM 1547 CA GLU A 102 4.984 -2.005 -8.814 1.00 0.00 C ATOM 1548 C GLU A 102 3.756 -2.705 -8.230 1.00 0.00 C ATOM 1549 O GLU A 102 2.623 -2.368 -8.572 1.00 0.00 O ATOM 1550 CB GLU A 102 5.694 -2.901 -9.831 1.00 0.00 C ATOM 1551 CG GLU A 102 6.973 -2.239 -10.347 1.00 0.00 C ATOM 1552 CD GLU A 102 7.024 -2.263 -11.876 1.00 0.00 C ATOM 1553 OE1 GLU A 102 6.482 -1.310 -12.477 1.00 0.00 O ATOM 1554 OE2 GLU A 102 7.603 -3.233 -12.410 1.00 0.00 O ATOM 0 H GLU A 102 6.856 -1.909 -7.875 1.00 0.00 H new ATOM 0 HA GLU A 102 4.652 -1.109 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 102 5.936 -3.859 -9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.026 -3.109 -10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.022 -1.209 -9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.843 -2.756 -9.942 1.00 0.00 H new ATOM 1561 N HIS A 103 4.021 -3.667 -7.358 1.00 0.00 N ATOM 1562 CA HIS A 103 2.952 -4.417 -6.722 1.00 0.00 C ATOM 1563 C HIS A 103 2.043 -3.460 -5.949 1.00 0.00 C ATOM 1564 O HIS A 103 0.891 -3.786 -5.664 1.00 0.00 O ATOM 1565 CB HIS A 103 3.519 -5.535 -5.845 1.00 0.00 C ATOM 1566 CG HIS A 103 2.602 -6.725 -5.697 1.00 0.00 C ATOM 1567 ND1 HIS A 103 1.992 -7.249 -4.596 1.00 0.00 N flip ATOM 1568 CD2 HIS A 103 2.225 -7.519 -6.767 1.00 0.00 C flip ATOM 1569 CE1 HIS A 103 1.280 -8.304 -4.972 1.00 0.00 C flip ATOM 1570 NE2 HIS A 103 1.424 -8.473 -6.318 1.00 0.00 N flip ATOM 0 H HIS A 103 4.962 -3.944 -7.077 1.00 0.00 H new ATOM 0 HA HIS A 103 2.343 -4.905 -7.483 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.466 -5.870 -6.268 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.737 -5.132 -4.856 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.532 -7.383 -7.793 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.685 -8.926 -4.320 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.991 -9.206 -6.880 1.00 0.00 H new ATOM 1578 N PHE A 104 2.594 -2.298 -5.631 1.00 0.00 N ATOM 1579 CA PHE A 104 1.847 -1.292 -4.896 1.00 0.00 C ATOM 1580 C PHE A 104 1.289 -0.225 -5.841 1.00 0.00 C ATOM 1581 O PHE A 104 0.283 0.414 -5.535 1.00 0.00 O ATOM 1582 CB PHE A 104 2.825 -0.632 -3.922 1.00 0.00 C ATOM 1583 CG PHE A 104 2.301 0.662 -3.295 1.00 0.00 C ATOM 1584 CD1 PHE A 104 1.523 0.611 -2.180 1.00 0.00 C ATOM 1585 CD2 PHE A 104 2.613 1.863 -3.852 1.00 0.00 C ATOM 1586 CE1 PHE A 104 1.037 1.811 -1.599 1.00 0.00 C ATOM 1587 CE2 PHE A 104 2.126 3.063 -3.270 1.00 0.00 C ATOM 1588 CZ PHE A 104 1.349 3.012 -2.156 1.00 0.00 C ATOM 0 H PHE A 104 3.549 -2.031 -5.869 1.00 0.00 H new ATOM 0 HA PHE A 104 1.008 -1.756 -4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.062 -1.339 -3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.756 -0.418 -4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.275 -0.342 -1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.231 1.904 -4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.419 1.771 -0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.373 4.017 -3.713 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.979 3.925 -1.713 1.00 0.00 H new ATOM 1598 N MET A 105 1.966 -0.066 -6.969 1.00 0.00 N ATOM 1599 CA MET A 105 1.550 0.912 -7.959 1.00 0.00 C ATOM 1600 C MET A 105 0.493 0.326 -8.898 1.00 0.00 C ATOM 1601 O MET A 105 -0.438 1.021 -9.302 1.00 0.00 O ATOM 1602 CB MET A 105 2.764 1.361 -8.775 1.00 0.00 C ATOM 1603 CG MET A 105 3.334 2.673 -8.231 1.00 0.00 C ATOM 1604 SD MET A 105 3.760 3.759 -9.582 1.00 0.00 S ATOM 1605 CE MET A 105 4.764 2.656 -10.562 1.00 0.00 C ATOM 0 H MET A 105 2.800 -0.598 -7.219 1.00 0.00 H new ATOM 0 HA MET A 105 1.115 1.765 -7.439 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.532 0.588 -8.748 1.00 0.00 H new ATOM 0 HB3 MET A 105 2.478 1.489 -9.819 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.603 3.155 -7.582 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.216 2.472 -7.623 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.480 3.236 -11.145 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.301 1.972 -9.905 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.125 2.085 -11.236 1.00 0.00 H new ATOM 1615 N LYS A 106 0.672 -0.947 -9.218 1.00 0.00 N ATOM 1616 CA LYS A 106 -0.255 -1.634 -10.101 1.00 0.00 C ATOM 1617 C LYS A 106 -1.525 -1.987 -9.326 1.00 0.00 C ATOM 1618 O LYS A 106 -2.634 -1.746 -9.801 1.00 0.00 O ATOM 1619 CB LYS A 106 0.423 -2.841 -10.754 1.00 0.00 C ATOM 1620 CG LYS A 106 -0.579 -3.976 -10.979 1.00 0.00 C ATOM 1621 CD LYS A 106 0.121 -5.225 -11.520 1.00 0.00 C ATOM 1622 CE LYS A 106 -0.357 -5.550 -12.937 1.00 0.00 C ATOM 1623 NZ LYS A 106 -0.014 -6.946 -13.292 1.00 0.00 N ATOM 0 H LYS A 106 1.445 -1.521 -8.882 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.554 -0.982 -10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.863 -2.545 -11.706 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.239 -3.191 -10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -1.082 -4.214 -10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.348 -3.653 -11.680 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.200 -5.069 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.077 -6.071 -10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.435 -5.405 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.103 -4.864 -13.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.345 -7.150 -14.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.017 -7.073 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.473 -7.597 -12.623 1.00 0.00 H new ATOM 1637 N LEU A 107 -1.322 -2.554 -8.145 1.00 0.00 N ATOM 1638 CA LEU A 107 -2.437 -2.942 -7.299 1.00 0.00 C ATOM 1639 C LEU A 107 -3.395 -1.758 -7.150 1.00 0.00 C ATOM 1640 O LEU A 107 -4.586 -1.879 -7.430 1.00 0.00 O ATOM 1641 CB LEU A 107 -1.931 -3.496 -5.966 1.00 0.00 C ATOM 1642 CG LEU A 107 -1.504 -4.965 -5.969 1.00 0.00 C ATOM 1643 CD1 LEU A 107 -1.156 -5.438 -4.557 1.00 0.00 C ATOM 1644 CD2 LEU A 107 -2.572 -5.846 -6.622 1.00 0.00 C ATOM 0 H LEU A 107 -0.401 -2.754 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.001 -3.752 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.083 -2.892 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.716 -3.368 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.600 -5.056 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.856 -6.485 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.336 -4.837 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.028 -5.329 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.243 -6.885 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.507 -5.755 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.728 -5.526 -7.652 1.00 0.00 H new ATOM 1656 N TYR A 108 -2.838 -0.640 -6.707 1.00 0.00 N ATOM 1657 CA TYR A 108 -3.627 0.565 -6.517 1.00 0.00 C ATOM 1658 C TYR A 108 -4.180 1.075 -7.849 1.00 0.00 C ATOM 1659 O TYR A 108 -5.021 1.972 -7.874 1.00 0.00 O ATOM 1660 CB TYR A 108 -2.669 1.610 -5.942 1.00 0.00 C ATOM 1661 CG TYR A 108 -3.346 2.924 -5.547 1.00 0.00 C ATOM 1662 CD1 TYR A 108 -3.895 3.066 -4.288 1.00 0.00 C ATOM 1663 CD2 TYR A 108 -3.409 3.967 -6.448 1.00 0.00 C ATOM 1664 CE1 TYR A 108 -4.532 4.302 -3.916 1.00 0.00 C ATOM 1665 CE2 TYR A 108 -4.046 5.203 -6.076 1.00 0.00 C ATOM 1666 CZ TYR A 108 -4.576 5.310 -4.828 1.00 0.00 C ATOM 1667 OH TYR A 108 -5.178 6.478 -4.476 1.00 0.00 O ATOM 0 H TYR A 108 -1.850 -0.544 -6.474 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.475 0.369 -5.860 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.173 1.191 -5.066 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.893 1.820 -6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.846 2.250 -3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.980 3.856 -7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -4.965 4.426 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.102 6.027 -6.772 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.134 7.108 -5.226 1.00 0.00 H new ATOM 1677 N GLU A 109 -3.685 0.480 -8.925 1.00 0.00 N ATOM 1678 CA GLU A 109 -4.119 0.863 -10.258 1.00 0.00 C ATOM 1679 C GLU A 109 -5.229 -0.072 -10.743 1.00 0.00 C ATOM 1680 O GLU A 109 -5.998 0.283 -11.636 1.00 0.00 O ATOM 1681 CB GLU A 109 -2.942 0.871 -11.236 1.00 0.00 C ATOM 1682 CG GLU A 109 -3.431 1.000 -12.680 1.00 0.00 C ATOM 1683 CD GLU A 109 -2.259 0.954 -13.662 1.00 0.00 C ATOM 1684 OE1 GLU A 109 -1.334 1.776 -13.481 1.00 0.00 O ATOM 1685 OE2 GLU A 109 -2.313 0.098 -14.571 1.00 0.00 O ATOM 0 H GLU A 109 -2.988 -0.264 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.518 1.876 -10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.273 1.699 -10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.365 -0.047 -11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.130 0.194 -12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.975 1.937 -12.801 1.00 0.00 H new ATOM 1692 N GLU A 110 -5.278 -1.247 -10.134 1.00 0.00 N ATOM 1693 CA GLU A 110 -6.281 -2.235 -10.493 1.00 0.00 C ATOM 1694 C GLU A 110 -7.591 -1.955 -9.753 1.00 0.00 C ATOM 1695 O GLU A 110 -8.670 -2.060 -10.333 1.00 0.00 O ATOM 1696 CB GLU A 110 -5.782 -3.653 -10.207 1.00 0.00 C ATOM 1697 CG GLU A 110 -6.270 -4.141 -8.842 1.00 0.00 C ATOM 1698 CD GLU A 110 -5.842 -5.588 -8.592 1.00 0.00 C ATOM 1699 OE1 GLU A 110 -4.819 -5.988 -9.187 1.00 0.00 O ATOM 1700 OE2 GLU A 110 -6.549 -6.262 -7.811 1.00 0.00 O ATOM 0 H GLU A 110 -4.639 -1.537 -9.394 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.468 -2.161 -11.564 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.133 -4.330 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.693 -3.672 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.869 -3.499 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.356 -4.065 -8.792 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.452 -1.604 -8.483 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.610 -1.308 -7.657 1.00 0.00 C ATOM 1709 C LYS A 111 -9.308 -0.057 -8.195 1.00 0.00 C ATOM 1710 O LYS A 111 -10.457 -0.120 -8.628 1.00 0.00 O ATOM 1711 CB LYS A 111 -8.206 -1.203 -6.186 1.00 0.00 C ATOM 1712 CG LYS A 111 -7.639 -2.529 -5.676 1.00 0.00 C ATOM 1713 CD LYS A 111 -8.756 -3.547 -5.435 1.00 0.00 C ATOM 1714 CE LYS A 111 -8.180 -4.934 -5.145 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.052 -5.670 -4.202 1.00 0.00 N ATOM 0 H LYS A 111 -6.555 -1.518 -8.006 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.332 -2.123 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.462 -0.415 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.071 -0.919 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.929 -2.928 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.089 -2.361 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.373 -3.223 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.405 -3.594 -6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.083 -5.496 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.179 -4.838 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.833 -6.686 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.889 -5.323 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.048 -5.519 -4.460 1.00 0.00 H new ATOM 1729 N THR A 112 -8.583 1.051 -8.149 1.00 0.00 N ATOM 1730 CA THR A 112 -9.118 2.316 -8.626 1.00 0.00 C ATOM 1731 C THR A 112 -9.254 2.296 -10.150 1.00 0.00 C ATOM 1732 O THR A 112 -10.223 2.821 -10.697 1.00 0.00 O ATOM 1733 CB THR A 112 -8.213 3.436 -8.110 1.00 0.00 C ATOM 1734 OG1 THR A 112 -7.034 3.322 -8.901 1.00 0.00 O ATOM 1735 CG2 THR A 112 -7.729 3.187 -6.680 1.00 0.00 C ATOM 0 H THR A 112 -7.630 1.100 -7.789 1.00 0.00 H new ATOM 0 HA THR A 112 -10.124 2.490 -8.244 1.00 0.00 H new ATOM 0 HB THR A 112 -8.750 4.384 -8.151 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.325 2.901 -8.372 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.091 4.012 -6.363 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.588 3.116 -6.012 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.163 2.256 -6.644 1.00 0.00 H new ATOM 1743 N GLY A 113 -8.268 1.686 -10.792 1.00 0.00 N ATOM 1744 CA GLY A 113 -8.265 1.592 -12.242 1.00 0.00 C ATOM 1745 C GLY A 113 -7.319 2.625 -12.856 1.00 0.00 C ATOM 1746 O GLY A 113 -6.869 2.464 -13.990 1.00 0.00 O ATOM 0 H GLY A 113 -7.466 1.252 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.961 0.590 -12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.275 1.747 -12.622 1.00 0.00 H new ATOM 1750 N ASN A 114 -7.045 3.665 -12.082 1.00 0.00 N ATOM 1751 CA ASN A 114 -6.161 4.724 -12.536 1.00 0.00 C ATOM 1752 C ASN A 114 -4.774 4.522 -11.923 1.00 0.00 C ATOM 1753 O ASN A 114 -4.646 3.954 -10.839 1.00 0.00 O ATOM 1754 CB ASN A 114 -6.676 6.097 -12.098 1.00 0.00 C ATOM 1755 CG ASN A 114 -8.103 6.000 -11.555 1.00 0.00 C ATOM 1756 OD1 ASN A 114 -8.346 6.063 -10.361 1.00 0.00 O ATOM 1757 ND2 ASN A 114 -9.030 5.842 -12.496 1.00 0.00 N ATOM 0 H ASN A 114 -7.420 3.796 -11.143 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.119 4.685 -13.624 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -6.019 6.508 -11.332 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -6.651 6.785 -12.943 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.013 5.766 -12.236 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -8.758 5.797 -13.478 1.00 0.00 H new ATOM 1764 N ALA A 115 -3.769 4.999 -12.643 1.00 0.00 N ATOM 1765 CA ALA A 115 -2.395 4.878 -12.184 1.00 0.00 C ATOM 1766 C ALA A 115 -2.235 5.634 -10.864 1.00 0.00 C ATOM 1767 O ALA A 115 -2.992 6.561 -10.580 1.00 0.00 O ATOM 1768 CB ALA A 115 -1.447 5.391 -13.269 1.00 0.00 C ATOM 0 H ALA A 115 -3.879 5.470 -13.541 1.00 0.00 H new ATOM 0 HA ALA A 115 -2.143 3.834 -11.999 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.417 5.300 -12.925 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.580 4.802 -14.176 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.668 6.437 -13.480 1.00 0.00 H new ATOM 1774 N TRP A 116 -1.246 5.210 -10.092 1.00 0.00 N ATOM 1775 CA TRP A 116 -0.977 5.835 -8.808 1.00 0.00 C ATOM 1776 C TRP A 116 -0.278 7.171 -9.070 1.00 0.00 C ATOM 1777 O TRP A 116 -0.518 8.150 -8.366 1.00 0.00 O ATOM 1778 CB TRP A 116 -0.166 4.905 -7.904 1.00 0.00 C ATOM 1779 CG TRP A 116 0.679 5.634 -6.858 1.00 0.00 C ATOM 1780 CD1 TRP A 116 1.805 6.335 -7.050 1.00 0.00 C ATOM 1781 CD2 TRP A 116 0.418 5.706 -5.440 1.00 0.00 C ATOM 1782 NE1 TRP A 116 2.287 6.851 -5.864 1.00 0.00 N ATOM 1783 CE2 TRP A 116 1.417 6.457 -4.854 1.00 0.00 C ATOM 1784 CE3 TRP A 116 -0.627 5.156 -4.678 1.00 0.00 C ATOM 1785 CZ2 TRP A 116 1.470 6.726 -3.481 1.00 0.00 C ATOM 1786 CZ3 TRP A 116 -0.560 5.433 -3.307 1.00 0.00 C ATOM 1787 CH2 TRP A 116 0.439 6.187 -2.702 1.00 0.00 C ATOM 0 H TRP A 116 -0.620 4.441 -10.331 1.00 0.00 H new ATOM 0 HA TRP A 116 -1.906 6.026 -8.271 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.848 4.225 -7.395 1.00 0.00 H new ATOM 0 HB3 TRP A 116 0.490 4.294 -8.524 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.276 6.478 -8.011 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.127 7.418 -5.750 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.419 4.566 -5.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 2.263 7.317 -3.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.339 5.033 -2.675 1.00 0.00 H new ATOM 0 HH2 TRP A 116 0.420 6.356 -1.636 1.00 0.00 H new ATOM 1798 N HIS A 117 0.573 7.168 -10.086 1.00 0.00 N ATOM 1799 CA HIS A 117 1.308 8.367 -10.450 1.00 0.00 C ATOM 1800 C HIS A 117 0.661 9.013 -11.677 1.00 0.00 C ATOM 1801 O HIS A 117 1.316 9.207 -12.700 1.00 0.00 O ATOM 1802 CB HIS A 117 2.791 8.054 -10.658 1.00 0.00 C ATOM 1803 CG HIS A 117 3.712 8.788 -9.714 1.00 0.00 C ATOM 1804 ND1 HIS A 117 3.321 9.195 -8.450 1.00 0.00 N ATOM 1805 CD2 HIS A 117 5.009 9.183 -9.862 1.00 0.00 C ATOM 1806 CE1 HIS A 117 4.344 9.807 -7.873 1.00 0.00 C ATOM 1807 NE2 HIS A 117 5.389 9.799 -8.749 1.00 0.00 N ATOM 0 H HIS A 117 0.770 6.354 -10.668 1.00 0.00 H new ATOM 0 HA HIS A 117 1.260 9.088 -9.634 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.945 6.982 -10.539 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.064 8.304 -11.683 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.623 9.022 -10.736 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.350 10.237 -6.882 1.00 0.00 H new ATOM 0 HE2 HIS A 117 6.311 10.200 -8.577 1.00 0.00 H new ATOM 1815 N SER A 118 -0.619 9.328 -11.535 1.00 0.00 N ATOM 1816 CA SER A 118 -1.362 9.948 -12.619 1.00 0.00 C ATOM 1817 C SER A 118 -2.110 11.179 -12.103 1.00 0.00 C ATOM 1818 O SER A 118 -2.265 11.355 -10.895 1.00 0.00 O ATOM 1819 CB SER A 118 -2.341 8.958 -13.252 1.00 0.00 C ATOM 1820 OG SER A 118 -1.974 8.626 -14.588 1.00 0.00 O ATOM 0 H SER A 118 -1.160 9.165 -10.686 1.00 0.00 H new ATOM 0 HA SER A 118 -0.653 10.257 -13.387 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.379 8.050 -12.650 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.344 9.386 -13.247 1.00 0.00 H new ATOM 0 HG SER A 118 -2.622 7.990 -14.957 1.00 0.00 H new ATOM 1826 N LYS A 119 -2.555 11.999 -13.044 1.00 0.00 N ATOM 1827 CA LYS A 119 -3.284 13.208 -12.700 1.00 0.00 C ATOM 1828 C LYS A 119 -4.764 13.021 -13.042 1.00 0.00 C ATOM 1829 O LYS A 119 -5.109 12.207 -13.897 1.00 0.00 O ATOM 1830 CB LYS A 119 -2.647 14.427 -13.370 1.00 0.00 C ATOM 1831 CG LYS A 119 -1.405 14.887 -12.604 1.00 0.00 C ATOM 1832 CD LYS A 119 -1.430 16.399 -12.377 1.00 0.00 C ATOM 1833 CE LYS A 119 -0.892 16.754 -10.989 1.00 0.00 C ATOM 1834 NZ LYS A 119 -1.985 17.249 -10.121 1.00 0.00 N ATOM 0 H LYS A 119 -2.425 11.850 -14.045 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.226 13.396 -11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.375 14.182 -14.397 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.371 15.240 -13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.354 14.372 -11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.508 14.614 -13.160 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.831 16.895 -13.141 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.450 16.769 -12.481 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.429 15.877 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.116 17.515 -11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.603 17.485 -9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.409 18.098 -10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.712 16.511 -10.023 1.00 0.00 H new ATOM 1848 N ASN A 120 -5.598 13.790 -12.358 1.00 0.00 N ATOM 1849 CA ASN A 120 -7.032 13.720 -12.579 1.00 0.00 C ATOM 1850 C ASN A 120 -7.528 12.313 -12.237 1.00 0.00 C ATOM 1851 O ASN A 120 -7.079 11.332 -12.827 1.00 0.00 O ATOM 1852 CB ASN A 120 -7.378 14.000 -14.043 1.00 0.00 C ATOM 1853 CG ASN A 120 -8.892 14.113 -14.236 1.00 0.00 C ATOM 1854 OD1 ASN A 120 -9.614 13.131 -14.274 1.00 0.00 O ATOM 1855 ND2 ASN A 120 -9.329 15.363 -14.357 1.00 0.00 N ATOM 0 H ASN A 120 -5.308 14.465 -11.650 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.508 14.469 -11.946 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.897 14.924 -14.364 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.986 13.201 -14.672 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -10.324 15.545 -14.491 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.670 16.140 -14.316 1.00 0.00 H new ATOM 1862 N PHE A 121 -8.448 12.260 -11.284 1.00 0.00 N ATOM 1863 CA PHE A 121 -9.010 10.990 -10.857 1.00 0.00 C ATOM 1864 C PHE A 121 -10.468 10.858 -11.303 1.00 0.00 C ATOM 1865 O PHE A 121 -11.251 11.796 -11.165 1.00 0.00 O ATOM 1866 CB PHE A 121 -8.953 10.968 -9.328 1.00 0.00 C ATOM 1867 CG PHE A 121 -9.313 9.615 -8.711 1.00 0.00 C ATOM 1868 CD1 PHE A 121 -8.425 8.587 -8.762 1.00 0.00 C ATOM 1869 CD2 PHE A 121 -10.522 9.441 -8.113 1.00 0.00 C ATOM 1870 CE1 PHE A 121 -8.759 7.331 -8.189 1.00 0.00 C ATOM 1871 CE2 PHE A 121 -10.856 8.185 -7.540 1.00 0.00 C ATOM 1872 CZ PHE A 121 -9.968 7.157 -7.591 1.00 0.00 C ATOM 0 H PHE A 121 -8.818 13.076 -10.796 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.447 10.167 -11.297 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.949 11.246 -9.008 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.633 11.726 -8.938 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.466 8.725 -9.238 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.228 10.257 -8.074 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.053 6.515 -8.228 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.815 8.047 -7.064 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.223 6.202 -7.156 1.00 0.00 H new ATOM 1882 N THR A 122 -10.787 9.685 -11.829 1.00 0.00 N ATOM 1883 CA THR A 122 -12.137 9.417 -12.297 1.00 0.00 C ATOM 1884 C THR A 122 -12.795 8.337 -11.436 1.00 0.00 C ATOM 1885 O THR A 122 -12.344 7.193 -11.417 1.00 0.00 O ATOM 1886 CB THR A 122 -12.059 9.049 -13.779 1.00 0.00 C ATOM 1887 OG1 THR A 122 -12.013 10.306 -14.448 1.00 0.00 O ATOM 1888 CG2 THR A 122 -13.349 8.403 -14.291 1.00 0.00 C ATOM 0 H THR A 122 -10.134 8.909 -11.942 1.00 0.00 H new ATOM 0 HA THR A 122 -12.772 10.298 -12.199 1.00 0.00 H new ATOM 0 HB THR A 122 -11.223 8.368 -13.939 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.960 10.160 -15.416 1.00 0.00 H new ATOM 0 HG21 THR A 122 -13.240 8.161 -15.348 1.00 0.00 H new ATOM 0 HG22 THR A 122 -13.547 7.490 -13.729 1.00 0.00 H new ATOM 0 HG23 THR A 122 -14.180 9.097 -14.161 1.00 0.00 H new ATOM 1896 N LYS A 123 -13.851 8.738 -10.744 1.00 0.00 N ATOM 1897 CA LYS A 123 -14.576 7.819 -9.883 1.00 0.00 C ATOM 1898 C LYS A 123 -15.417 6.875 -10.746 1.00 0.00 C ATOM 1899 O LYS A 123 -16.546 7.202 -11.110 1.00 0.00 O ATOM 1900 CB LYS A 123 -15.390 8.589 -8.841 1.00 0.00 C ATOM 1901 CG LYS A 123 -15.059 8.112 -7.426 1.00 0.00 C ATOM 1902 CD LYS A 123 -15.869 6.866 -7.064 1.00 0.00 C ATOM 1903 CE LYS A 123 -16.918 7.184 -5.997 1.00 0.00 C ATOM 1904 NZ LYS A 123 -16.301 7.911 -4.865 1.00 0.00 N ATOM 0 H LYS A 123 -14.222 9.688 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 123 -13.881 7.200 -9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.182 9.655 -8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.454 8.455 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.994 7.892 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -15.270 8.908 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -16.359 6.475 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -15.200 6.086 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -17.717 7.785 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -17.373 6.260 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -16.924 7.854 -4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -15.381 7.483 -4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -16.163 8.908 -5.126 1.00 0.00 H new ATOM 1918 N TYR A 124 -14.835 5.724 -11.047 1.00 0.00 N ATOM 1919 CA TYR A 124 -15.516 4.731 -11.860 1.00 0.00 C ATOM 1920 C TYR A 124 -16.369 3.804 -10.992 1.00 0.00 C ATOM 1921 O TYR A 124 -16.183 3.740 -9.777 1.00 0.00 O ATOM 1922 CB TYR A 124 -14.415 3.909 -12.533 1.00 0.00 C ATOM 1923 CG TYR A 124 -14.028 4.411 -13.926 1.00 0.00 C ATOM 1924 CD1 TYR A 124 -15.010 4.774 -14.826 1.00 0.00 C ATOM 1925 CD2 TYR A 124 -12.698 4.499 -14.283 1.00 0.00 C ATOM 1926 CE1 TYR A 124 -14.646 5.246 -16.137 1.00 0.00 C ATOM 1927 CE2 TYR A 124 -12.334 4.971 -15.594 1.00 0.00 C ATOM 1928 CZ TYR A 124 -13.326 5.321 -16.456 1.00 0.00 C ATOM 1929 OH TYR A 124 -12.982 5.767 -17.694 1.00 0.00 O ATOM 0 H TYR A 124 -13.899 5.457 -10.742 1.00 0.00 H new ATOM 0 HA TYR A 124 -16.177 5.213 -12.580 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -13.530 3.916 -11.897 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -14.745 2.873 -12.610 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -16.051 4.704 -14.547 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -11.930 4.214 -13.579 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -15.404 5.534 -16.851 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -11.297 5.045 -15.886 1.00 0.00 H new ATOM 0 HH TYR A 124 -12.006 5.769 -17.781 1.00 0.00 H new ATOM 1939 N PRO A 125 -17.311 3.090 -11.666 1.00 0.00 N ATOM 1940 CA PRO A 125 -18.193 2.170 -10.969 1.00 0.00 C ATOM 1941 C PRO A 125 -17.452 0.889 -10.579 1.00 0.00 C ATOM 1942 O PRO A 125 -16.901 0.201 -11.437 1.00 0.00 O ATOM 1943 CB PRO A 125 -19.342 1.921 -11.932 1.00 0.00 C ATOM 1944 CG PRO A 125 -18.835 2.339 -13.303 1.00 0.00 C ATOM 1945 CD PRO A 125 -17.559 3.141 -13.103 1.00 0.00 C ATOM 0 HA PRO A 125 -18.561 2.574 -10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.635 0.871 -11.927 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -20.222 2.499 -11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -18.642 1.463 -13.922 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -19.585 2.937 -13.821 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.729 2.711 -13.664 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -17.679 4.168 -13.448 1.00 0.00 H new ATOM 1953 N LYS A 126 -17.461 0.609 -9.284 1.00 0.00 N ATOM 1954 CA LYS A 126 -16.797 -0.576 -8.770 1.00 0.00 C ATOM 1955 C LYS A 126 -15.312 -0.272 -8.558 1.00 0.00 C ATOM 1956 O LYS A 126 -14.589 -1.073 -7.966 1.00 0.00 O ATOM 1957 CB LYS A 126 -17.054 -1.775 -9.686 1.00 0.00 C ATOM 1958 CG LYS A 126 -18.526 -1.841 -10.101 1.00 0.00 C ATOM 1959 CD LYS A 126 -18.908 -3.256 -10.540 1.00 0.00 C ATOM 1960 CE LYS A 126 -19.067 -3.335 -12.059 1.00 0.00 C ATOM 1961 NZ LYS A 126 -18.837 -4.718 -12.533 1.00 0.00 N ATOM 0 H LYS A 126 -17.918 1.183 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 126 -17.209 -0.852 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.425 -1.701 -10.573 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.775 -2.696 -9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -19.157 -1.532 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -18.710 -1.141 -10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.143 -3.961 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -19.840 -3.551 -10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -20.067 -3.008 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -18.362 -2.657 -12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -18.949 -4.754 -13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -17.874 -5.017 -12.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -19.526 -5.357 -12.088 1.00 0.00 H new ATOM 1975 N LYS A 127 -14.902 0.886 -9.053 1.00 0.00 N ATOM 1976 CA LYS A 127 -13.517 1.306 -8.925 1.00 0.00 C ATOM 1977 C LYS A 127 -13.291 1.888 -7.528 1.00 0.00 C ATOM 1978 O LYS A 127 -14.089 2.693 -7.051 1.00 0.00 O ATOM 1979 CB LYS A 127 -13.140 2.263 -10.058 1.00 0.00 C ATOM 1980 CG LYS A 127 -12.990 1.512 -11.383 1.00 0.00 C ATOM 1981 CD LYS A 127 -12.077 0.295 -11.224 1.00 0.00 C ATOM 1982 CE LYS A 127 -11.558 -0.182 -12.581 1.00 0.00 C ATOM 1983 NZ LYS A 127 -11.279 -1.635 -12.547 1.00 0.00 N ATOM 0 H LYS A 127 -15.505 1.547 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 127 -12.849 0.450 -9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -13.904 3.034 -10.157 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.206 2.770 -9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -13.970 1.192 -11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.581 2.181 -12.140 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.237 0.548 -10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -12.623 -0.512 -10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -12.294 0.035 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.651 0.363 -12.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.927 -1.943 -13.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -10.561 -1.834 -11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.153 -2.151 -12.319 1.00 0.00 H new ATOM 1997 N PHE A 128 -12.200 1.457 -6.912 1.00 0.00 N ATOM 1998 CA PHE A 128 -11.860 1.925 -5.579 1.00 0.00 C ATOM 1999 C PHE A 128 -11.332 3.360 -5.620 1.00 0.00 C ATOM 2000 O PHE A 128 -10.630 3.741 -6.556 1.00 0.00 O ATOM 2001 CB PHE A 128 -10.759 1.004 -5.049 1.00 0.00 C ATOM 2002 CG PHE A 128 -11.277 -0.311 -4.462 1.00 0.00 C ATOM 2003 CD1 PHE A 128 -11.463 -1.389 -5.270 1.00 0.00 C ATOM 2004 CD2 PHE A 128 -11.551 -0.401 -3.133 1.00 0.00 C ATOM 2005 CE1 PHE A 128 -11.944 -2.609 -4.725 1.00 0.00 C ATOM 2006 CE2 PHE A 128 -12.031 -1.621 -2.589 1.00 0.00 C ATOM 2007 CZ PHE A 128 -12.218 -2.700 -3.396 1.00 0.00 C ATOM 0 H PHE A 128 -11.540 0.789 -7.311 1.00 0.00 H new ATOM 0 HA PHE A 128 -12.745 1.910 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -10.065 0.780 -5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -10.193 1.534 -4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -11.245 -1.317 -6.325 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -11.403 0.455 -2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -12.092 -3.465 -5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -12.248 -1.693 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 128 -12.584 -3.628 -2.982 1.00 0.00 H new ATOM 2017 N TYR A 129 -11.689 4.118 -4.594 1.00 0.00 N ATOM 2018 CA TYR A 129 -11.259 5.503 -4.501 1.00 0.00 C ATOM 2019 C TYR A 129 -10.704 5.813 -3.109 1.00 0.00 C ATOM 2020 O TYR A 129 -10.919 5.052 -2.167 1.00 0.00 O ATOM 2021 CB TYR A 129 -12.512 6.350 -4.737 1.00 0.00 C ATOM 2022 CG TYR A 129 -13.554 6.244 -3.622 1.00 0.00 C ATOM 2023 CD1 TYR A 129 -13.324 6.851 -2.404 1.00 0.00 C ATOM 2024 CD2 TYR A 129 -14.723 5.543 -3.834 1.00 0.00 C ATOM 2025 CE1 TYR A 129 -14.305 6.752 -1.354 1.00 0.00 C ATOM 2026 CE2 TYR A 129 -15.704 5.444 -2.785 1.00 0.00 C ATOM 2027 CZ TYR A 129 -15.446 6.053 -1.596 1.00 0.00 C ATOM 2028 OH TYR A 129 -16.373 5.960 -0.605 1.00 0.00 O ATOM 0 H TYR A 129 -12.271 3.799 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 129 -10.471 5.710 -5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -12.217 7.394 -4.847 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.970 6.048 -5.679 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -12.409 7.400 -2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.902 5.068 -4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.138 7.222 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -16.624 4.899 -2.938 1.00 0.00 H new ATOM 0 HH TYR A 129 -17.137 5.433 -0.920 1.00 0.00 H new ATOM 2038 N PRO A 130 -9.982 6.962 -3.021 1.00 0.00 N ATOM 2039 CA PRO A 130 -9.394 7.382 -1.761 1.00 0.00 C ATOM 2040 C PRO A 130 -10.462 7.940 -0.817 1.00 0.00 C ATOM 2041 O PRO A 130 -11.154 8.899 -1.155 1.00 0.00 O ATOM 2042 CB PRO A 130 -8.341 8.410 -2.141 1.00 0.00 C ATOM 2043 CG PRO A 130 -8.695 8.869 -3.546 1.00 0.00 C ATOM 2044 CD PRO A 130 -9.707 7.888 -4.116 1.00 0.00 C ATOM 0 HA PRO A 130 -8.944 6.556 -1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.344 9.248 -1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.342 7.975 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -9.110 9.877 -3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.803 8.904 -4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -10.614 8.398 -4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -9.307 7.366 -4.985 1.00 0.00 H new ATOM 2052 N LEU A 131 -10.562 7.315 0.347 1.00 0.00 N ATOM 2053 CA LEU A 131 -11.533 7.738 1.342 1.00 0.00 C ATOM 2054 C LEU A 131 -11.116 9.095 1.912 1.00 0.00 C ATOM 2055 O LEU A 131 -11.534 10.137 1.410 1.00 0.00 O ATOM 2056 CB LEU A 131 -11.716 6.654 2.406 1.00 0.00 C ATOM 2057 CG LEU A 131 -12.261 5.313 1.911 1.00 0.00 C ATOM 2058 CD1 LEU A 131 -12.249 4.269 3.030 1.00 0.00 C ATOM 2059 CD2 LEU A 131 -13.654 5.480 1.299 1.00 0.00 C ATOM 0 H LEU A 131 -9.987 6.519 0.623 1.00 0.00 H new ATOM 0 HA LEU A 131 -12.513 7.872 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.753 6.477 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -12.389 7.036 3.173 1.00 0.00 H new ATOM 0 HG LEU A 131 -11.603 4.947 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -12.641 3.325 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -11.227 4.123 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -12.870 4.614 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -14.019 4.512 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -14.336 5.879 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -13.601 6.168 0.456 1.00 0.00 H new ATOM 2071 N GLU A 132 -10.297 9.038 2.952 1.00 0.00 N ATOM 2072 CA GLU A 132 -9.819 10.250 3.595 1.00 0.00 C ATOM 2073 C GLU A 132 -8.841 10.987 2.678 1.00 0.00 C ATOM 2074 O GLU A 132 -8.019 10.361 2.010 1.00 0.00 O ATOM 2075 CB GLU A 132 -9.174 9.935 4.946 1.00 0.00 C ATOM 2076 CG GLU A 132 -8.719 11.217 5.648 1.00 0.00 C ATOM 2077 CD GLU A 132 -7.207 11.407 5.517 1.00 0.00 C ATOM 2078 OE1 GLU A 132 -6.755 11.578 4.364 1.00 0.00 O ATOM 2079 OE2 GLU A 132 -6.537 11.377 6.572 1.00 0.00 O ATOM 0 H GLU A 132 -9.952 8.171 3.365 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.673 10.902 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.885 9.403 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -8.320 9.273 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.236 12.075 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.994 11.176 6.702 1.00 0.00 H new