USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 620 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 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00144) USER MOD Set 1.2: A 77 SER OG : rot 180:sc= -0.397 USER MOD Set 2.1: A 38 MET CE :methyl -114:sc= -0.76 (180deg=-1.31) USER MOD Set 2.2: A 53 THR OG1 : rot 73:sc= 1.07 USER MOD Single : A 20 THR OG1 : rot -28:sc= 0.181 USER MOD Single : A 22 THR OG1 : rot 38:sc= 0.978 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -116:sc= -1.96 (180deg=-4.59!) USER MOD Single : A 35 THR OG1 : rot -112:sc= 0.00667 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.756 USER MOD Single : A 67 GLN : amide:sc= -3.56! K(o=-3.6!,f=-2.4) USER MOD Single : A 68 THR OG1 : rot -37:sc= 0.607 USER MOD Single : A 69 SER OG : rot -62:sc= -0.827! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 70:sc= -0.434 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -145:sc= 0 (180deg=-1.44!) USER MOD Single : A 99 THR OG1 : rot -45:sc= 0.305 USER MOD Single : A 104 THR OG1 : rot -66:sc= 0.474 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.633 -16.473 7.823 1.00 0.00 N ATOM 283 CA THR A 20 -3.617 -17.393 7.267 1.00 0.00 C ATOM 284 C THR A 20 -2.998 -18.274 6.188 1.00 0.00 C ATOM 285 O THR A 20 -1.822 -18.131 5.856 1.00 0.00 O ATOM 286 CB THR A 20 -4.818 -16.637 6.669 1.00 0.00 C ATOM 287 OG1 THR A 20 -4.359 -15.608 5.786 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.673 -16.024 7.768 1.00 0.00 C ATOM 0 HA THR A 20 -3.964 -18.019 8.089 1.00 0.00 H new ATOM 0 HB THR A 20 -5.426 -17.349 6.111 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.471 -15.306 6.069 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.515 -15.495 7.322 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.045 -16.813 8.422 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.072 -15.324 8.349 1.00 0.00 H new ATOM 296 N ALA A 21 -3.798 -19.186 5.644 1.00 0.00 N ATOM 297 CA ALA A 21 -3.328 -20.088 4.600 1.00 0.00 C ATOM 298 C ALA A 21 -3.822 -19.644 3.227 1.00 0.00 C ATOM 299 O ALA A 21 -4.762 -18.855 3.119 1.00 0.00 O ATOM 300 CB ALA A 21 -3.780 -21.512 4.891 1.00 0.00 C ATOM 0 H ALA A 21 -4.774 -19.319 5.909 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.238 -20.058 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.422 -22.175 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.373 -21.834 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.869 -21.548 4.929 1.00 0.00 H new ATOM 306 N THR A 22 -3.183 -20.155 2.180 1.00 0.00 N ATOM 307 CA THR A 22 -3.556 -19.809 0.814 1.00 0.00 C ATOM 308 C THR A 22 -3.621 -21.050 -0.069 1.00 0.00 C ATOM 309 O THR A 22 -2.592 -21.600 -0.460 1.00 0.00 O ATOM 310 CB THR A 22 -2.563 -18.806 0.197 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.251 -19.378 0.154 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.533 -17.513 0.998 1.00 0.00 C ATOM 0 H THR A 22 -2.404 -20.810 2.252 1.00 0.00 H new ATOM 0 HA THR A 22 -4.543 -19.349 0.863 1.00 0.00 H new ATOM 0 HB THR A 22 -2.892 -18.579 -0.817 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.316 -20.329 -0.072 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.825 -16.820 0.544 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.527 -17.065 1.003 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.226 -17.726 2.022 1.00 0.00 H new ATOM 320 N ALA A 23 -4.837 -21.486 -0.380 1.00 0.00 N ATOM 321 CA ALA A 23 -5.036 -22.661 -1.220 1.00 0.00 C ATOM 322 C ALA A 23 -5.224 -22.266 -2.681 1.00 0.00 C ATOM 323 O ALA A 23 -5.652 -21.156 -2.999 1.00 0.00 O ATOM 324 CB ALA A 23 -6.232 -23.463 -0.730 1.00 0.00 C ATOM 0 H ALA A 23 -5.699 -21.043 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.143 -23.282 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.369 -24.337 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.058 -23.785 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.127 -22.842 -0.769 1.00 0.00 H new ATOM 330 N PRO A 24 -4.898 -23.194 -3.592 1.00 0.00 N ATOM 331 CA PRO A 24 -5.022 -22.966 -5.035 1.00 0.00 C ATOM 332 C PRO A 24 -6.477 -22.893 -5.487 1.00 0.00 C ATOM 333 O PRO A 24 -6.762 -22.766 -6.677 1.00 0.00 O ATOM 334 CB PRO A 24 -4.332 -24.186 -5.648 1.00 0.00 C ATOM 335 CG PRO A 24 -4.445 -25.248 -4.609 1.00 0.00 C ATOM 336 CD PRO A 24 -4.382 -24.539 -3.284 1.00 0.00 C ATOM 0 HA PRO A 24 -4.583 -22.015 -5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.815 -24.488 -6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.290 -23.974 -5.885 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.380 -25.798 -4.713 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.637 -25.973 -4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.990 -25.040 -2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.364 -24.500 -2.897 1.00 0.00 H new ATOM 344 N GLY A 25 -7.395 -22.975 -4.528 1.00 0.00 N ATOM 345 CA GLY A 25 -8.809 -22.916 -4.848 1.00 0.00 C ATOM 346 C GLY A 25 -9.243 -24.043 -5.765 1.00 0.00 C ATOM 347 O GLY A 25 -8.771 -24.148 -6.896 1.00 0.00 O ATOM 0 H GLY A 25 -7.184 -23.081 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.389 -22.958 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.032 -21.960 -5.322 1.00 0.00 H new ATOM 351 N GLY A 26 -10.144 -24.889 -5.276 1.00 0.00 N ATOM 352 CA GLY A 26 -10.625 -26.003 -6.072 1.00 0.00 C ATOM 353 C GLY A 26 -12.107 -26.258 -5.876 1.00 0.00 C ATOM 354 O GLY A 26 -12.615 -27.320 -6.239 1.00 0.00 O ATOM 0 H GLY A 26 -10.550 -24.823 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.430 -25.804 -7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.067 -26.901 -5.809 1.00 0.00 H new ATOM 358 N LEU A 27 -12.802 -25.284 -5.300 1.00 0.00 N ATOM 359 CA LEU A 27 -14.235 -25.408 -5.055 1.00 0.00 C ATOM 360 C LEU A 27 -14.979 -25.758 -6.340 1.00 0.00 C ATOM 361 O LEU A 27 -14.577 -25.353 -7.431 1.00 0.00 O ATOM 362 CB LEU A 27 -14.787 -24.107 -4.470 1.00 0.00 C ATOM 363 CG LEU A 27 -14.801 -24.010 -2.944 1.00 0.00 C ATOM 364 CD1 LEU A 27 -13.480 -23.455 -2.433 1.00 0.00 C ATOM 365 CD2 LEU A 27 -15.962 -23.145 -2.475 1.00 0.00 C ATOM 0 H LEU A 27 -12.397 -24.399 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.388 -26.215 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.198 -23.277 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.806 -23.973 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.933 -25.012 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.508 -23.393 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.666 -24.113 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.318 -22.461 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.956 -23.087 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.861 -22.143 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.902 -23.584 -2.810 1.00 0.00 H new ATOM 377 N SER A 28 -16.066 -26.510 -6.202 1.00 0.00 N ATOM 378 CA SER A 28 -16.865 -26.916 -7.352 1.00 0.00 C ATOM 379 C SER A 28 -18.090 -26.019 -7.505 1.00 0.00 C ATOM 380 O SER A 28 -18.839 -26.132 -8.475 1.00 0.00 O ATOM 381 CB SER A 28 -17.302 -28.375 -7.208 1.00 0.00 C ATOM 382 OG SER A 28 -18.219 -28.529 -6.139 1.00 0.00 O ATOM 0 H SER A 28 -16.414 -26.850 -5.305 1.00 0.00 H new ATOM 0 HA SER A 28 -16.248 -26.816 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.761 -28.714 -8.137 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.429 -29.004 -7.036 1.00 0.00 H new ATOM 0 HG SER A 28 -18.484 -29.470 -6.069 1.00 0.00 H new ATOM 388 N ALA A 29 -18.288 -25.128 -6.539 1.00 0.00 N ATOM 389 CA ALA A 29 -19.420 -24.211 -6.566 1.00 0.00 C ATOM 390 C ALA A 29 -19.212 -23.053 -5.596 1.00 0.00 C ATOM 391 O ALA A 29 -18.266 -23.052 -4.808 1.00 0.00 O ATOM 392 CB ALA A 29 -20.708 -24.952 -6.238 1.00 0.00 C ATOM 0 H ALA A 29 -17.679 -25.022 -5.728 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.497 -23.798 -7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.545 -24.254 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.871 -25.740 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.631 -25.393 -5.244 1.00 0.00 H new ATOM 398 N LYS A 30 -20.101 -22.067 -5.659 1.00 0.00 N ATOM 399 CA LYS A 30 -20.015 -20.902 -4.786 1.00 0.00 C ATOM 400 C LYS A 30 -20.207 -21.301 -3.326 1.00 0.00 C ATOM 401 O LYS A 30 -20.971 -22.216 -3.018 1.00 0.00 O ATOM 402 CB LYS A 30 -21.066 -19.863 -5.184 1.00 0.00 C ATOM 403 CG LYS A 30 -22.495 -20.338 -4.990 1.00 0.00 C ATOM 404 CD LYS A 30 -23.010 -20.005 -3.600 1.00 0.00 C ATOM 405 CE LYS A 30 -24.032 -21.027 -3.124 1.00 0.00 C ATOM 406 NZ LYS A 30 -24.040 -21.154 -1.641 1.00 0.00 N ATOM 0 H LYS A 30 -20.890 -22.052 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.022 -20.467 -4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.910 -18.958 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.920 -19.594 -6.230 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.138 -19.874 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.546 -21.415 -5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -22.175 -19.971 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.462 -19.013 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.024 -20.736 -3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.811 -21.997 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.749 -21.860 -1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.100 -21.456 -1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.276 -20.235 -1.215 1.00 0.00 H new ATOM 420 N ALA A 31 -19.510 -20.608 -2.432 1.00 0.00 N ATOM 421 CA ALA A 31 -19.607 -20.889 -1.004 1.00 0.00 C ATOM 422 C ALA A 31 -19.257 -19.656 -0.178 1.00 0.00 C ATOM 423 O ALA A 31 -18.248 -18.989 -0.410 1.00 0.00 O ATOM 424 CB ALA A 31 -18.698 -22.051 -0.632 1.00 0.00 C ATOM 0 H ALA A 31 -18.872 -19.848 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.638 -21.163 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.780 -22.250 0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.995 -22.939 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.666 -21.798 -0.875 1.00 0.00 H new ATOM 430 N PRO A 32 -20.109 -19.343 0.810 1.00 0.00 N ATOM 431 CA PRO A 32 -19.910 -18.188 1.690 1.00 0.00 C ATOM 432 C PRO A 32 -18.729 -18.377 2.636 1.00 0.00 C ATOM 433 O PRO A 32 -18.266 -19.496 2.850 1.00 0.00 O ATOM 434 CB PRO A 32 -21.220 -18.114 2.478 1.00 0.00 C ATOM 435 CG PRO A 32 -21.752 -19.505 2.461 1.00 0.00 C ATOM 436 CD PRO A 32 -21.331 -20.093 1.143 1.00 0.00 C ATOM 0 HA PRO A 32 -19.682 -17.282 1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.050 -17.768 3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.920 -17.417 2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.353 -20.086 3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.837 -19.509 2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.137 -21.162 1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -22.101 -19.966 0.382 1.00 0.00 H new ATOM 444 N ALA A 33 -18.247 -17.274 3.201 1.00 0.00 N ATOM 445 CA ALA A 33 -17.122 -17.319 4.126 1.00 0.00 C ATOM 446 C ALA A 33 -17.575 -17.736 5.521 1.00 0.00 C ATOM 447 O ALA A 33 -18.740 -18.073 5.731 1.00 0.00 O ATOM 448 CB ALA A 33 -16.426 -15.967 4.177 1.00 0.00 C ATOM 0 H ALA A 33 -18.619 -16.339 3.034 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.415 -18.065 3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.588 -16.015 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.059 -15.709 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.132 -15.207 4.512 1.00 0.00 H new ATOM 454 N MET A 34 -16.646 -17.712 6.471 1.00 0.00 N ATOM 455 CA MET A 34 -16.951 -18.088 7.847 1.00 0.00 C ATOM 456 C MET A 34 -17.481 -19.517 7.916 1.00 0.00 C ATOM 457 O MET A 34 -18.540 -19.771 8.491 1.00 0.00 O ATOM 458 CB MET A 34 -17.976 -17.122 8.447 1.00 0.00 C ATOM 459 CG MET A 34 -17.398 -15.759 8.789 1.00 0.00 C ATOM 460 SD MET A 34 -15.947 -15.866 9.854 1.00 0.00 S ATOM 461 CE MET A 34 -16.624 -16.743 11.261 1.00 0.00 C ATOM 0 H MET A 34 -15.677 -17.436 6.314 1.00 0.00 H new ATOM 0 HA MET A 34 -16.029 -18.033 8.425 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.797 -16.993 7.742 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.397 -17.566 9.349 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.130 -15.241 7.868 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.162 -15.158 9.282 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.588 -16.101 12.141 1.00 0.00 H new ATOM 0 HE2 MET A 34 -17.658 -17.018 11.055 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.038 -17.644 11.444 1.00 0.00 H new ATOM 471 N THR A 35 -16.738 -20.448 7.326 1.00 0.00 N ATOM 472 CA THR A 35 -17.133 -21.850 7.319 1.00 0.00 C ATOM 473 C THR A 35 -15.927 -22.760 7.116 1.00 0.00 C ATOM 474 O THR A 35 -14.968 -22.416 6.426 1.00 0.00 O ATOM 475 CB THR A 35 -18.169 -22.137 6.215 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.579 -21.938 4.926 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.384 -21.235 6.367 1.00 0.00 C ATOM 0 H THR A 35 -15.859 -20.255 6.846 1.00 0.00 H new ATOM 0 HA THR A 35 -17.582 -22.056 8.291 1.00 0.00 H new ATOM 0 HB THR A 35 -18.491 -23.174 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.984 -21.155 4.498 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.102 -21.455 5.577 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.848 -21.410 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.074 -20.192 6.295 1.00 0.00 H new ATOM 485 N PRO A 36 -15.974 -23.952 7.731 1.00 0.00 N ATOM 486 CA PRO A 36 -14.893 -24.937 7.632 1.00 0.00 C ATOM 487 C PRO A 36 -14.793 -25.550 6.239 1.00 0.00 C ATOM 488 O PRO A 36 -15.805 -25.762 5.570 1.00 0.00 O ATOM 489 CB PRO A 36 -15.288 -26.002 8.658 1.00 0.00 C ATOM 490 CG PRO A 36 -16.768 -25.884 8.775 1.00 0.00 C ATOM 491 CD PRO A 36 -17.086 -24.429 8.570 1.00 0.00 C ATOM 0 HA PRO A 36 -13.916 -24.490 7.816 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.995 -26.998 8.327 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.800 -25.828 9.617 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.269 -26.501 8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.110 -26.224 9.752 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.048 -24.294 8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.135 -23.891 9.517 1.00 0.00 H new ATOM 499 N LEU A 37 -13.569 -25.832 5.809 1.00 0.00 N ATOM 500 CA LEU A 37 -13.337 -26.422 4.495 1.00 0.00 C ATOM 501 C LEU A 37 -12.487 -27.684 4.606 1.00 0.00 C ATOM 502 O LEU A 37 -11.906 -27.962 5.655 1.00 0.00 O ATOM 503 CB LEU A 37 -12.651 -25.411 3.574 1.00 0.00 C ATOM 504 CG LEU A 37 -13.099 -23.957 3.722 1.00 0.00 C ATOM 505 CD1 LEU A 37 -12.028 -23.012 3.200 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.416 -23.728 2.993 1.00 0.00 C ATOM 0 H LEU A 37 -12.722 -25.662 6.351 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.304 -26.694 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.577 -25.459 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.818 -25.718 2.542 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.252 -23.750 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.365 -21.982 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.108 -23.157 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.843 -23.219 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.720 -22.688 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.290 -23.953 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.183 -24.379 3.413 1.00 0.00 H new ATOM 518 N MET A 38 -12.417 -28.442 3.517 1.00 0.00 N ATOM 519 CA MET A 38 -11.634 -29.673 3.492 1.00 0.00 C ATOM 520 C MET A 38 -10.698 -29.697 2.288 1.00 0.00 C ATOM 521 O MET A 38 -10.950 -29.037 1.280 1.00 0.00 O ATOM 522 CB MET A 38 -12.560 -30.890 3.459 1.00 0.00 C ATOM 523 CG MET A 38 -13.234 -31.104 2.113 1.00 0.00 C ATOM 524 SD MET A 38 -13.567 -32.843 1.771 1.00 0.00 S ATOM 525 CE MET A 38 -15.036 -33.107 2.762 1.00 0.00 C ATOM 0 H MET A 38 -12.892 -28.226 2.641 1.00 0.00 H new ATOM 0 HA MET A 38 -11.030 -29.710 4.399 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.986 -31.780 3.714 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.326 -30.774 4.226 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.171 -30.547 2.087 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.600 -30.698 1.325 1.00 0.00 H new ATOM 0 HE1 MET A 38 -14.811 -33.805 3.568 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.365 -32.158 3.186 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.828 -33.519 2.136 1.00 0.00 H new ATOM 535 N LEU A 39 -9.618 -30.462 2.400 1.00 0.00 N ATOM 536 CA LEU A 39 -8.643 -30.573 1.321 1.00 0.00 C ATOM 537 C LEU A 39 -9.110 -31.570 0.265 1.00 0.00 C ATOM 538 O LEU A 39 -10.077 -32.303 0.474 1.00 0.00 O ATOM 539 CB LEU A 39 -7.283 -30.999 1.876 1.00 0.00 C ATOM 540 CG LEU A 39 -6.340 -29.868 2.285 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.970 -29.019 1.079 1.00 0.00 C ATOM 542 CD2 LEU A 39 -6.976 -29.009 3.369 1.00 0.00 C ATOM 0 H LEU A 39 -9.395 -31.015 3.228 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.545 -29.594 0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.451 -31.637 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.782 -31.609 1.125 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.428 -30.309 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.298 -28.219 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.473 -29.641 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.873 -28.587 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.291 -28.209 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.904 -28.578 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.190 -29.625 4.243 1.00 0.00 H new ATOM 626 N LYS A 45 -5.860 -29.432 -3.711 1.00 0.00 N ATOM 627 CA LYS A 45 -6.754 -28.283 -3.805 1.00 0.00 C ATOM 628 C LYS A 45 -7.699 -28.230 -2.609 1.00 0.00 C ATOM 629 O LYS A 45 -8.176 -29.262 -2.135 1.00 0.00 O ATOM 630 CB LYS A 45 -7.561 -28.345 -5.104 1.00 0.00 C ATOM 631 CG LYS A 45 -6.778 -27.905 -6.328 1.00 0.00 C ATOM 632 CD LYS A 45 -5.904 -29.026 -6.864 1.00 0.00 C ATOM 633 CE LYS A 45 -5.065 -28.564 -8.045 1.00 0.00 C ATOM 634 NZ LYS A 45 -3.819 -29.367 -8.190 1.00 0.00 N ATOM 0 HA LYS A 45 -6.145 -27.379 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.912 -29.366 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.445 -27.715 -5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.469 -27.578 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.156 -27.047 -6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.249 -29.389 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.531 -29.864 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.653 -28.639 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.806 -27.513 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.276 -29.020 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.245 -29.276 -7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.065 -30.367 -8.338 1.00 0.00 H new ATOM 648 N LEU A 46 -7.966 -27.022 -2.126 1.00 0.00 N ATOM 649 CA LEU A 46 -8.856 -26.833 -0.985 1.00 0.00 C ATOM 650 C LEU A 46 -10.288 -26.580 -1.447 1.00 0.00 C ATOM 651 O LEU A 46 -10.536 -25.713 -2.285 1.00 0.00 O ATOM 652 CB LEU A 46 -8.372 -25.666 -0.123 1.00 0.00 C ATOM 653 CG LEU A 46 -9.109 -25.459 1.201 1.00 0.00 C ATOM 654 CD1 LEU A 46 -8.769 -26.572 2.180 1.00 0.00 C ATOM 655 CD2 LEU A 46 -8.766 -24.101 1.795 1.00 0.00 C ATOM 0 H LEU A 46 -7.579 -26.158 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.842 -27.746 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.314 -25.814 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.453 -24.750 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.181 -25.488 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.302 -26.408 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.065 -27.532 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.696 -26.575 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.299 -23.971 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.692 -24.043 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.060 -23.315 1.100 1.00 0.00 H new ATOM 667 N VAL A 47 -11.226 -27.341 -0.894 1.00 0.00 N ATOM 668 CA VAL A 47 -12.634 -27.197 -1.246 1.00 0.00 C ATOM 669 C VAL A 47 -13.502 -27.072 0.000 1.00 0.00 C ATOM 670 O VAL A 47 -13.056 -27.358 1.111 1.00 0.00 O ATOM 671 CB VAL A 47 -13.127 -28.391 -2.085 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.377 -28.462 -3.406 1.00 0.00 C ATOM 673 CG2 VAL A 47 -12.974 -29.689 -1.306 1.00 0.00 C ATOM 0 H VAL A 47 -11.037 -28.064 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.721 -26.286 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.185 -28.247 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.739 -29.312 -3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.543 -27.543 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.311 -28.582 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.327 -30.522 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.924 -29.842 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.561 -29.634 -0.389 1.00 0.00 H new ATOM 683 N ALA A 48 -14.746 -26.644 -0.192 1.00 0.00 N ATOM 684 CA ALA A 48 -15.679 -26.484 0.916 1.00 0.00 C ATOM 685 C ALA A 48 -15.974 -27.823 1.584 1.00 0.00 C ATOM 686 O ALA A 48 -15.849 -28.878 0.962 1.00 0.00 O ATOM 687 CB ALA A 48 -16.968 -25.838 0.432 1.00 0.00 C ATOM 0 H ALA A 48 -15.131 -26.402 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.215 -25.833 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.655 -25.725 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.747 -24.858 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.426 -26.468 -0.331 1.00 0.00 H new ATOM 693 N TRP A 49 -16.365 -27.773 2.852 1.00 0.00 N ATOM 694 CA TRP A 49 -16.677 -28.983 3.603 1.00 0.00 C ATOM 695 C TRP A 49 -18.027 -29.552 3.182 1.00 0.00 C ATOM 696 O TRP A 49 -18.960 -28.806 2.884 1.00 0.00 O ATOM 697 CB TRP A 49 -16.679 -28.690 5.105 1.00 0.00 C ATOM 698 CG TRP A 49 -16.899 -29.909 5.948 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.418 -31.166 5.713 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.656 -29.988 7.160 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.832 -32.021 6.706 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.592 -31.322 7.606 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.380 -29.060 7.914 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.225 -31.749 8.770 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -19.009 -29.485 9.068 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.928 -30.820 9.488 1.00 0.00 C ATOM 0 H TRP A 49 -16.473 -26.908 3.381 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.908 -29.724 3.386 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.728 -28.234 5.380 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.458 -27.960 5.324 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.803 -31.446 4.871 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.609 -33.015 6.764 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.446 -28.029 7.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.163 -32.777 9.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.573 -28.777 9.657 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.430 -31.121 10.396 1.00 0.00 H new ATOM 717 N ASP A 50 -18.125 -30.877 3.161 1.00 0.00 N ATOM 718 CA ASP A 50 -19.363 -31.546 2.778 1.00 0.00 C ATOM 719 C ASP A 50 -20.389 -31.477 3.904 1.00 0.00 C ATOM 720 O ASP A 50 -21.549 -31.133 3.681 1.00 0.00 O ATOM 721 CB ASP A 50 -19.087 -33.005 2.411 1.00 0.00 C ATOM 722 CG ASP A 50 -18.370 -33.754 3.517 1.00 0.00 C ATOM 723 OD1 ASP A 50 -17.666 -33.102 4.315 1.00 0.00 O ATOM 724 OD2 ASP A 50 -18.514 -34.993 3.584 1.00 0.00 O ATOM 0 H ASP A 50 -17.362 -31.509 3.405 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.771 -31.032 1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -20.030 -33.505 2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.485 -33.041 1.503 1.00 0.00 H new ATOM 729 N GLY A 51 -19.954 -31.809 5.116 1.00 0.00 N ATOM 730 CA GLY A 51 -20.847 -31.779 6.259 1.00 0.00 C ATOM 731 C GLY A 51 -20.933 -33.119 6.962 1.00 0.00 C ATOM 732 O GLY A 51 -21.490 -33.221 8.056 1.00 0.00 O ATOM 0 H GLY A 51 -18.999 -32.098 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.503 -31.023 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.842 -31.480 5.931 1.00 0.00 H new ATOM 736 N THR A 52 -20.381 -34.153 6.334 1.00 0.00 N ATOM 737 CA THR A 52 -20.400 -35.494 6.904 1.00 0.00 C ATOM 738 C THR A 52 -18.992 -35.965 7.247 1.00 0.00 C ATOM 739 O THR A 52 -18.699 -36.296 8.397 1.00 0.00 O ATOM 740 CB THR A 52 -21.047 -36.506 5.940 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.122 -36.856 4.904 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.313 -35.931 5.322 1.00 0.00 C ATOM 0 H THR A 52 -19.915 -34.087 5.429 1.00 0.00 H new ATOM 0 HA THR A 52 -20.995 -35.441 7.816 1.00 0.00 H new ATOM 0 HB THR A 52 -21.311 -37.398 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.540 -37.501 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 52 -22.752 -36.663 4.645 1.00 0.00 H new ATOM 0 HG22 THR A 52 -23.027 -35.692 6.110 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.068 -35.025 4.767 1.00 0.00 H new ATOM 750 N THR A 53 -18.121 -35.993 6.243 1.00 0.00 N ATOM 751 CA THR A 53 -16.742 -36.424 6.439 1.00 0.00 C ATOM 752 C THR A 53 -16.214 -35.977 7.798 1.00 0.00 C ATOM 753 O THR A 53 -15.922 -34.799 8.004 1.00 0.00 O ATOM 754 CB THR A 53 -15.819 -35.873 5.336 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.301 -36.275 4.048 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.393 -36.368 5.526 1.00 0.00 C ATOM 0 H THR A 53 -18.346 -35.722 5.286 1.00 0.00 H new ATOM 0 HA THR A 53 -16.742 -37.513 6.392 1.00 0.00 H new ATOM 0 HB THR A 53 -15.821 -34.785 5.401 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.112 -35.770 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.760 -35.966 4.735 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.019 -36.036 6.495 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.377 -37.457 5.485 1.00 0.00 H new ATOM 764 N ASP A 54 -16.094 -36.925 8.721 1.00 0.00 N ATOM 765 CA ASP A 54 -15.598 -36.629 10.060 1.00 0.00 C ATOM 766 C ASP A 54 -14.095 -36.371 10.039 1.00 0.00 C ATOM 767 O ASP A 54 -13.312 -37.237 9.648 1.00 0.00 O ATOM 768 CB ASP A 54 -15.917 -37.783 11.012 1.00 0.00 C ATOM 769 CG ASP A 54 -15.463 -39.123 10.468 1.00 0.00 C ATOM 770 OD1 ASP A 54 -14.253 -39.420 10.555 1.00 0.00 O ATOM 771 OD2 ASP A 54 -16.318 -39.876 9.957 1.00 0.00 O ATOM 0 H ASP A 54 -16.333 -37.904 8.567 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.098 -35.727 10.414 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.435 -37.602 11.973 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.991 -37.813 11.195 1.00 0.00 H new ATOM 776 N GLY A 55 -13.698 -35.174 10.461 1.00 0.00 N ATOM 777 CA GLY A 55 -12.290 -34.824 10.481 1.00 0.00 C ATOM 778 C GLY A 55 -11.804 -34.298 9.145 1.00 0.00 C ATOM 779 O GLY A 55 -10.610 -34.337 8.852 1.00 0.00 O ATOM 0 H GLY A 55 -14.327 -34.441 10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.117 -34.070 11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.705 -35.701 10.757 1.00 0.00 H new ATOM 783 N ALA A 56 -12.733 -33.806 8.331 1.00 0.00 N ATOM 784 CA ALA A 56 -12.393 -33.270 7.019 1.00 0.00 C ATOM 785 C ALA A 56 -12.119 -31.771 7.093 1.00 0.00 C ATOM 786 O ALA A 56 -11.387 -31.223 6.270 1.00 0.00 O ATOM 787 CB ALA A 56 -13.509 -33.556 6.026 1.00 0.00 C ATOM 0 H ALA A 56 -13.727 -33.768 8.558 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.483 -33.763 6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.241 -33.150 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.655 -34.633 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.432 -33.090 6.372 1.00 0.00 H new ATOM 793 N ALA A 57 -12.714 -31.114 8.083 1.00 0.00 N ATOM 794 CA ALA A 57 -12.533 -29.679 8.264 1.00 0.00 C ATOM 795 C ALA A 57 -11.136 -29.363 8.789 1.00 0.00 C ATOM 796 O ALA A 57 -10.784 -29.736 9.908 1.00 0.00 O ATOM 797 CB ALA A 57 -13.591 -29.129 9.209 1.00 0.00 C ATOM 0 H ALA A 57 -13.325 -31.552 8.772 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.644 -29.198 7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.444 -28.056 9.335 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.582 -29.313 8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.507 -29.623 10.177 1.00 0.00 H new ATOM 803 N VAL A 58 -10.344 -28.675 7.973 1.00 0.00 N ATOM 804 CA VAL A 58 -8.985 -28.310 8.356 1.00 0.00 C ATOM 805 C VAL A 58 -8.903 -26.840 8.754 1.00 0.00 C ATOM 806 O VAL A 58 -8.222 -26.483 9.714 1.00 0.00 O ATOM 807 CB VAL A 58 -7.989 -28.576 7.212 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.172 -29.983 6.662 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.151 -27.539 6.112 1.00 0.00 C ATOM 0 H VAL A 58 -10.620 -28.359 7.043 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.719 -28.931 9.211 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.977 -28.495 7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.460 -30.153 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.000 -30.709 7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.187 -30.095 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.439 -27.743 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.165 -27.585 5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.965 -26.545 6.519 1.00 0.00 H new ATOM 819 N GLY A 59 -9.603 -25.990 8.009 1.00 0.00 N ATOM 820 CA GLY A 59 -9.597 -24.569 8.300 1.00 0.00 C ATOM 821 C GLY A 59 -10.914 -23.901 7.959 1.00 0.00 C ATOM 822 O GLY A 59 -11.807 -24.530 7.390 1.00 0.00 O ATOM 0 H GLY A 59 -10.174 -26.261 7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.380 -24.419 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.794 -24.090 7.739 1.00 0.00 H new ATOM 826 N ILE A 60 -11.037 -22.625 8.309 1.00 0.00 N ATOM 827 CA ILE A 60 -12.255 -21.873 8.038 1.00 0.00 C ATOM 828 C ILE A 60 -12.002 -20.764 7.022 1.00 0.00 C ATOM 829 O ILE A 60 -11.057 -19.986 7.159 1.00 0.00 O ATOM 830 CB ILE A 60 -12.833 -21.253 9.324 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.813 -22.275 10.462 1.00 0.00 C ATOM 832 CG2 ILE A 60 -14.248 -20.750 9.081 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.816 -21.648 11.839 1.00 0.00 C ATOM 0 H ILE A 60 -10.308 -22.091 8.781 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.977 -22.580 7.629 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.212 -20.405 9.611 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.680 -22.929 10.368 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.928 -22.903 10.360 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.642 -20.315 9.999 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.235 -19.993 8.297 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.882 -21.581 8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -12.801 -22.432 12.596 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.935 -21.017 11.953 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.714 -21.043 11.961 1.00 0.00 H new ATOM 845 N LEU A 61 -12.853 -20.697 6.004 1.00 0.00 N ATOM 846 CA LEU A 61 -12.723 -19.682 4.964 1.00 0.00 C ATOM 847 C LEU A 61 -12.927 -18.284 5.540 1.00 0.00 C ATOM 848 O LEU A 61 -13.956 -17.997 6.150 1.00 0.00 O ATOM 849 CB LEU A 61 -13.734 -19.937 3.845 1.00 0.00 C ATOM 850 CG LEU A 61 -13.306 -19.504 2.443 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.519 -19.353 1.537 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.518 -18.204 2.503 1.00 0.00 C ATOM 0 H LEU A 61 -13.640 -21.333 5.876 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.715 -19.743 4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.959 -21.003 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.661 -19.421 4.096 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.661 -20.277 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.195 -19.044 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.042 -20.307 1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.190 -18.600 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.222 -17.911 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.139 -17.422 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.628 -18.346 3.116 1.00 0.00 H new ATOM 864 N ALA A 62 -11.940 -17.417 5.340 1.00 0.00 N ATOM 865 CA ALA A 62 -12.013 -16.048 5.835 1.00 0.00 C ATOM 866 C ALA A 62 -12.945 -15.202 4.975 1.00 0.00 C ATOM 867 O ALA A 62 -13.812 -14.497 5.491 1.00 0.00 O ATOM 868 CB ALA A 62 -10.624 -15.428 5.878 1.00 0.00 C ATOM 0 H ALA A 62 -11.080 -17.639 4.838 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.419 -16.075 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.693 -14.406 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.985 -16.012 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.197 -15.421 4.875 1.00 0.00 H new ATOM 874 N VAL A 63 -12.761 -15.277 3.661 1.00 0.00 N ATOM 875 CA VAL A 63 -13.587 -14.518 2.729 1.00 0.00 C ATOM 876 C VAL A 63 -14.292 -15.441 1.742 1.00 0.00 C ATOM 877 O VAL A 63 -13.662 -16.291 1.113 1.00 0.00 O ATOM 878 CB VAL A 63 -12.748 -13.491 1.945 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.633 -12.686 1.004 1.00 0.00 C ATOM 880 CG2 VAL A 63 -12.000 -12.574 2.900 1.00 0.00 C ATOM 0 H VAL A 63 -12.047 -15.855 3.218 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.332 -13.990 3.324 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.014 -14.029 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.023 -11.966 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.119 -13.359 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.391 -12.157 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.413 -11.855 2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.715 -12.042 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.336 -13.167 3.529 1.00 0.00 H new ATOM 890 N ALA A 64 -15.603 -15.268 1.611 1.00 0.00 N ATOM 891 CA ALA A 64 -16.394 -16.084 0.699 1.00 0.00 C ATOM 892 C ALA A 64 -15.700 -16.229 -0.651 1.00 0.00 C ATOM 893 O ALA A 64 -15.021 -15.312 -1.112 1.00 0.00 O ATOM 894 CB ALA A 64 -17.780 -15.482 0.519 1.00 0.00 C ATOM 0 H ALA A 64 -16.140 -14.570 2.125 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.495 -17.078 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.360 -16.102 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.285 -15.436 1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.689 -14.476 0.109 1.00 0.00 H new ATOM 900 N ALA A 65 -15.873 -17.387 -1.279 1.00 0.00 N ATOM 901 CA ALA A 65 -15.263 -17.652 -2.577 1.00 0.00 C ATOM 902 C ALA A 65 -16.130 -18.591 -3.409 1.00 0.00 C ATOM 903 O ALA A 65 -17.211 -18.996 -2.982 1.00 0.00 O ATOM 904 CB ALA A 65 -13.870 -18.236 -2.396 1.00 0.00 C ATOM 0 H ALA A 65 -16.431 -18.157 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.181 -16.706 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.427 -18.429 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.247 -17.529 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.937 -19.169 -1.837 1.00 0.00 H new ATOM 910 N ASP A 66 -15.649 -18.932 -4.599 1.00 0.00 N ATOM 911 CA ASP A 66 -16.379 -19.825 -5.492 1.00 0.00 C ATOM 912 C ASP A 66 -15.422 -20.742 -6.247 1.00 0.00 C ATOM 913 O ASP A 66 -14.204 -20.607 -6.138 1.00 0.00 O ATOM 914 CB ASP A 66 -17.217 -19.015 -6.483 1.00 0.00 C ATOM 915 CG ASP A 66 -16.593 -17.673 -6.808 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.363 -17.535 -6.640 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.334 -16.760 -7.230 1.00 0.00 O ATOM 0 H ASP A 66 -14.757 -18.604 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.042 -20.443 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.340 -19.587 -7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.213 -18.858 -6.069 1.00 0.00 H new ATOM 922 N GLN A 67 -15.982 -21.674 -7.011 1.00 0.00 N ATOM 923 CA GLN A 67 -15.178 -22.614 -7.782 1.00 0.00 C ATOM 924 C GLN A 67 -14.241 -21.877 -8.733 1.00 0.00 C ATOM 925 O GLN A 67 -13.187 -22.392 -9.109 1.00 0.00 O ATOM 926 CB GLN A 67 -16.081 -23.564 -8.570 1.00 0.00 C ATOM 927 CG GLN A 67 -17.124 -22.850 -9.415 1.00 0.00 C ATOM 928 CD GLN A 67 -16.570 -22.363 -10.739 1.00 0.00 C ATOM 929 OE1 GLN A 67 -15.941 -23.121 -11.478 1.00 0.00 O ATOM 930 NE2 GLN A 67 -16.802 -21.092 -11.046 1.00 0.00 N ATOM 0 H GLN A 67 -16.989 -21.798 -7.113 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.574 -23.194 -7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.463 -24.185 -9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.586 -24.234 -7.874 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.959 -23.525 -9.601 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.519 -22.001 -8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.328 -20.500 -10.403 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.454 -20.708 -11.925 1.00 0.00 H new ATOM 939 N THR A 68 -14.632 -20.666 -9.121 1.00 0.00 N ATOM 940 CA THR A 68 -13.829 -19.858 -10.030 1.00 0.00 C ATOM 941 C THR A 68 -12.669 -19.195 -9.297 1.00 0.00 C ATOM 942 O THR A 68 -11.833 -18.532 -9.910 1.00 0.00 O ATOM 943 CB THR A 68 -14.678 -18.771 -10.714 1.00 0.00 C ATOM 944 OG1 THR A 68 -13.902 -18.099 -11.713 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.187 -17.761 -9.696 1.00 0.00 C ATOM 0 H THR A 68 -15.500 -20.224 -8.819 1.00 0.00 H new ATOM 0 HA THR A 68 -13.436 -20.533 -10.790 1.00 0.00 H new ATOM 0 HB THR A 68 -15.535 -19.253 -11.184 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.977 -18.008 -11.402 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.784 -17.003 -10.203 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.801 -18.271 -8.954 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.340 -17.285 -9.201 1.00 0.00 H new ATOM 953 N SER A 69 -12.624 -19.379 -7.981 1.00 0.00 N ATOM 954 CA SER A 69 -11.567 -18.795 -7.163 1.00 0.00 C ATOM 955 C SER A 69 -10.231 -19.483 -7.430 1.00 0.00 C ATOM 956 O SER A 69 -10.133 -20.711 -7.394 1.00 0.00 O ATOM 957 CB SER A 69 -11.922 -18.904 -5.679 1.00 0.00 C ATOM 958 OG SER A 69 -11.868 -20.249 -5.239 1.00 0.00 O ATOM 0 H SER A 69 -13.307 -19.928 -7.459 1.00 0.00 H new ATOM 0 HA SER A 69 -11.474 -17.742 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.232 -18.298 -5.092 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.921 -18.503 -5.511 1.00 0.00 H new ATOM 0 HG SER A 69 -12.526 -20.781 -5.732 1.00 0.00 H new ATOM 964 N THR A 70 -9.204 -18.684 -7.697 1.00 0.00 N ATOM 965 CA THR A 70 -7.874 -19.214 -7.971 1.00 0.00 C ATOM 966 C THR A 70 -7.012 -19.213 -6.713 1.00 0.00 C ATOM 967 O THR A 70 -5.910 -19.762 -6.702 1.00 0.00 O ATOM 968 CB THR A 70 -7.160 -18.402 -9.068 1.00 0.00 C ATOM 969 OG1 THR A 70 -7.981 -18.335 -10.240 1.00 0.00 O ATOM 970 CG2 THR A 70 -5.818 -19.027 -9.418 1.00 0.00 C ATOM 0 H THR A 70 -9.267 -17.666 -7.729 1.00 0.00 H new ATOM 0 HA THR A 70 -8.008 -20.239 -8.317 1.00 0.00 H new ATOM 0 HB THR A 70 -6.986 -17.395 -8.688 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.521 -17.816 -10.932 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.333 -18.436 -10.195 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.185 -19.050 -8.531 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.973 -20.044 -9.779 1.00 0.00 H new ATOM 978 N THR A 71 -7.521 -18.594 -5.653 1.00 0.00 N ATOM 979 CA THR A 71 -6.798 -18.522 -4.389 1.00 0.00 C ATOM 980 C THR A 71 -7.754 -18.314 -3.220 1.00 0.00 C ATOM 981 O THR A 71 -8.438 -17.293 -3.137 1.00 0.00 O ATOM 982 CB THR A 71 -5.762 -17.382 -4.399 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.997 -17.426 -5.609 1.00 0.00 O ATOM 984 CG2 THR A 71 -4.831 -17.487 -3.201 1.00 0.00 C ATOM 0 H THR A 71 -8.432 -18.135 -5.644 1.00 0.00 H new ATOM 0 HA THR A 71 -6.280 -19.473 -4.266 1.00 0.00 H new ATOM 0 HB THR A 71 -6.297 -16.434 -4.342 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.342 -16.697 -5.608 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.108 -16.672 -3.229 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.413 -17.424 -2.281 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.304 -18.440 -3.232 1.00 0.00 H new ATOM 992 N LEU A 72 -7.797 -19.287 -2.317 1.00 0.00 N ATOM 993 CA LEU A 72 -8.669 -19.211 -1.150 1.00 0.00 C ATOM 994 C LEU A 72 -7.890 -18.767 0.084 1.00 0.00 C ATOM 995 O LEU A 72 -6.794 -19.261 0.351 1.00 0.00 O ATOM 996 CB LEU A 72 -9.327 -20.567 -0.891 1.00 0.00 C ATOM 997 CG LEU A 72 -10.092 -21.177 -2.066 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.484 -22.614 -1.759 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.324 -20.344 -2.390 1.00 0.00 C ATOM 0 H LEU A 72 -7.238 -20.138 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.443 -18.471 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.554 -21.271 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.014 -20.460 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.439 -21.179 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.028 -23.032 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.586 -23.205 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.119 -22.637 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.856 -20.793 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.980 -20.311 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.019 -19.331 -2.654 1.00 0.00 H new ATOM 1011 N THR A 73 -8.463 -17.832 0.835 1.00 0.00 N ATOM 1012 CA THR A 73 -7.824 -17.322 2.042 1.00 0.00 C ATOM 1013 C THR A 73 -8.573 -17.769 3.292 1.00 0.00 C ATOM 1014 O THR A 73 -9.499 -17.097 3.746 1.00 0.00 O ATOM 1015 CB THR A 73 -7.744 -15.784 2.027 1.00 0.00 C ATOM 1016 OG1 THR A 73 -7.043 -15.341 0.860 1.00 0.00 O ATOM 1017 CG2 THR A 73 -7.040 -15.267 3.274 1.00 0.00 C ATOM 0 H THR A 73 -9.369 -17.412 0.628 1.00 0.00 H new ATOM 0 HA THR A 73 -6.814 -17.731 2.062 1.00 0.00 H new ATOM 0 HB THR A 73 -8.760 -15.389 2.012 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.998 -14.362 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.995 -14.178 3.242 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.592 -15.581 4.160 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.028 -15.671 3.314 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.166 -18.907 3.845 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.800 -19.444 5.043 1.00 0.00 C ATOM 1027 C PHE A 74 -7.839 -19.407 6.229 1.00 0.00 C ATOM 1028 O PHE A 74 -6.621 -19.381 6.054 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.271 -20.879 4.798 1.00 0.00 C ATOM 1030 CG PHE A 74 -8.152 -21.833 4.492 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.567 -21.856 3.237 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.685 -22.707 5.461 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.537 -22.733 2.952 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.655 -23.585 5.183 1.00 0.00 C ATOM 1035 CZ PHE A 74 -6.081 -23.599 3.926 1.00 0.00 C ATOM 0 H PHE A 74 -7.400 -19.475 3.482 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.664 -18.821 5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.808 -21.232 5.678 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.979 -20.884 3.969 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.920 -21.181 2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.131 -22.702 6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.090 -22.741 1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.299 -24.260 5.947 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.277 -24.286 3.706 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.397 -19.405 7.434 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.592 -19.369 8.649 1.00 0.00 C ATOM 1047 C TYR A 75 -6.856 -20.689 8.854 1.00 0.00 C ATOM 1048 O TYR A 75 -7.111 -21.672 8.158 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.474 -19.070 9.862 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.775 -17.600 10.045 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.922 -16.781 10.774 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.914 -17.030 9.489 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -8.193 -15.438 10.944 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -10.192 -15.687 9.653 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.329 -14.895 10.381 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.604 -13.557 10.548 1.00 0.00 O ATOM 0 H TYR A 75 -9.404 -19.428 7.596 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.853 -18.575 8.541 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.413 -19.614 9.761 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.983 -19.446 10.759 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.031 -17.202 11.216 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.593 -17.647 8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.519 -14.816 11.515 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.081 -15.259 9.213 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.440 -13.335 10.088 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.939 -20.705 9.816 1.00 0.00 N ATOM 1067 CA LYS A 76 -5.166 -21.904 10.117 1.00 0.00 C ATOM 1068 C LYS A 76 -5.434 -22.381 11.541 1.00 0.00 C ATOM 1069 O LYS A 76 -5.412 -23.581 11.818 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.671 -21.630 9.933 1.00 0.00 C ATOM 1071 CG LYS A 76 -3.150 -20.493 10.794 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.657 -20.993 12.141 1.00 0.00 C ATOM 1073 CE LYS A 76 -1.646 -20.037 12.755 1.00 0.00 C ATOM 1074 NZ LYS A 76 -2.266 -18.731 13.115 1.00 0.00 N ATOM 0 H LYS A 76 -5.713 -19.900 10.401 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.474 -22.688 9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.113 -22.537 10.167 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.479 -21.398 8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.338 -19.985 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.941 -19.758 10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.503 -21.113 12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.203 -21.977 12.021 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.211 -20.491 13.646 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.830 -19.870 12.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.549 -18.113 13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.644 -18.278 12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.039 -18.889 13.793 1.00 0.00 H new ATOM 1088 N SER A 77 -5.689 -21.436 12.440 1.00 0.00 N ATOM 1089 CA SER A 77 -5.959 -21.760 13.835 1.00 0.00 C ATOM 1090 C SER A 77 -6.470 -20.536 14.589 1.00 0.00 C ATOM 1091 O SER A 77 -6.540 -19.438 14.037 1.00 0.00 O ATOM 1092 CB SER A 77 -4.696 -22.298 14.510 1.00 0.00 C ATOM 1093 OG SER A 77 -3.925 -21.245 15.063 1.00 0.00 O ATOM 0 H SER A 77 -5.714 -20.439 12.227 1.00 0.00 H new ATOM 0 HA SER A 77 -6.731 -22.529 13.860 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.971 -23.002 15.295 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.098 -22.848 13.784 1.00 0.00 H new ATOM 0 HG SER A 77 -3.124 -21.615 15.490 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.827 -20.734 15.854 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.327 -19.638 16.664 1.00 0.00 C ATOM 1101 C GLY A 78 -8.724 -19.898 17.192 1.00 0.00 C ATOM 1102 O GLY A 78 -9.400 -20.829 16.752 1.00 0.00 O ATOM 0 H GLY A 78 -6.779 -21.633 16.333 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.650 -19.471 17.502 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.330 -18.724 16.071 1.00 0.00 H new ATOM 1106 N THR A 79 -9.159 -19.074 18.140 1.00 0.00 N ATOM 1107 CA THR A 79 -10.483 -19.221 18.731 1.00 0.00 C ATOM 1108 C THR A 79 -11.556 -18.612 17.836 1.00 0.00 C ATOM 1109 O THR A 79 -11.594 -17.398 17.634 1.00 0.00 O ATOM 1110 CB THR A 79 -10.555 -18.561 20.121 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.418 -18.942 20.903 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.832 -18.960 20.845 1.00 0.00 C ATOM 0 H THR A 79 -8.614 -18.298 18.515 1.00 0.00 H new ATOM 0 HA THR A 79 -10.665 -20.291 18.835 1.00 0.00 H new ATOM 0 HB THR A 79 -10.557 -17.479 19.986 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.470 -18.517 21.785 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.860 -18.482 21.824 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.696 -18.642 20.261 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.857 -20.043 20.969 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.427 -19.461 17.302 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.501 -19.006 16.427 1.00 0.00 C ATOM 1122 C PHE A 80 -14.864 -19.231 17.075 1.00 0.00 C ATOM 1123 O PHE A 80 -15.008 -20.071 17.964 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.436 -19.734 15.083 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.209 -19.405 14.281 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -11.028 -20.101 14.482 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -12.237 -18.401 13.328 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -9.897 -19.801 13.747 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -11.109 -18.097 12.588 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.937 -18.797 12.799 1.00 0.00 C ATOM 0 H PHE A 80 -12.410 -20.469 17.460 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.370 -17.937 16.260 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.467 -20.809 15.259 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.321 -19.481 14.499 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.991 -20.887 15.222 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.150 -17.849 13.161 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.983 -20.351 13.914 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.144 -17.313 11.846 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.054 -18.560 12.224 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.860 -18.476 16.624 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.210 -18.591 17.161 1.00 0.00 C ATOM 1142 C ARG A 81 -18.007 -19.650 16.404 1.00 0.00 C ATOM 1143 O ARG A 81 -18.209 -19.542 15.194 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.930 -17.244 17.084 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.607 -16.314 18.243 1.00 0.00 C ATOM 1146 CD ARG A 81 -16.268 -15.620 18.045 1.00 0.00 C ATOM 1147 NE ARG A 81 -16.403 -14.376 17.291 1.00 0.00 N ATOM 1148 CZ ARG A 81 -15.386 -13.766 16.693 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -14.166 -14.282 16.760 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -15.588 -12.637 16.027 1.00 0.00 N ATOM 0 H ARG A 81 -15.757 -17.778 15.888 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.134 -18.894 18.205 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.663 -16.752 16.149 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -19.006 -17.417 17.057 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.394 -15.567 18.341 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.589 -16.882 19.173 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.822 -15.408 19.017 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.586 -16.290 17.521 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.328 -13.953 17.220 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.007 -15.150 17.272 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.387 -13.811 16.300 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.525 -12.237 15.974 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.807 -12.169 15.568 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.457 -20.671 17.124 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.229 -21.750 16.520 1.00 0.00 C ATOM 1166 C TYR A 82 -20.650 -21.292 16.202 1.00 0.00 C ATOM 1167 O TYR A 82 -21.239 -21.709 15.206 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.269 -22.961 17.454 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.357 -23.955 17.111 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.698 -23.622 17.254 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.042 -25.225 16.644 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -22.695 -24.527 16.943 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.033 -26.135 16.329 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.357 -25.782 16.481 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.347 -26.685 16.168 1.00 0.00 O ATOM 0 H TYR A 82 -18.301 -20.774 18.127 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.741 -22.034 15.588 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.304 -23.466 17.422 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.414 -22.615 18.478 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -21.966 -22.640 17.614 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.006 -25.506 16.525 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -23.733 -24.253 17.061 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -20.772 -27.118 15.966 1.00 0.00 H new ATOM 0 HH TYR A 82 -23.815 -26.390 15.359 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.192 -20.431 17.058 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.543 -19.916 16.869 1.00 0.00 C ATOM 1187 C GLU A 83 -22.632 -19.076 15.598 1.00 0.00 C ATOM 1188 O GLU A 83 -23.707 -18.919 15.019 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.968 -19.080 18.078 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.036 -17.916 18.370 1.00 0.00 C ATOM 1191 CD GLU A 83 -22.239 -17.341 19.758 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -21.912 -18.035 20.743 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -22.726 -16.195 19.859 1.00 0.00 O ATOM 0 H GLU A 83 -20.717 -20.076 17.888 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.218 -20.766 16.770 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -23.974 -18.696 17.908 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -23.017 -19.724 18.956 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -21.003 -18.247 18.266 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -22.196 -17.133 17.629 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.495 -18.538 15.171 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.443 -17.713 13.970 1.00 0.00 C ATOM 1202 C ASP A 84 -21.103 -18.558 12.746 1.00 0.00 C ATOM 1203 O ASP A 84 -21.745 -18.443 11.701 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.412 -16.596 14.136 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.267 -15.751 12.885 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -21.251 -15.087 12.501 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.168 -15.756 12.290 1.00 0.00 O ATOM 0 H ASP A 84 -20.597 -18.658 15.639 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.427 -17.268 13.821 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.703 -15.958 14.970 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.446 -17.032 14.390 1.00 0.00 H new ATOM 1212 N VAL A 85 -20.089 -19.406 12.881 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.664 -20.271 11.787 1.00 0.00 C ATOM 1214 C VAL A 85 -20.853 -20.989 11.160 1.00 0.00 C ATOM 1215 O VAL A 85 -21.553 -21.754 11.827 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.639 -21.317 12.264 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.460 -22.405 11.216 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.309 -20.652 12.586 1.00 0.00 C ATOM 0 H VAL A 85 -19.546 -19.513 13.738 1.00 0.00 H new ATOM 0 HA VAL A 85 -19.196 -19.630 11.040 1.00 0.00 H new ATOM 0 HB VAL A 85 -19.017 -21.781 13.175 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.732 -23.135 11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.415 -22.900 11.039 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -18.105 -21.960 10.287 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.597 -21.406 12.921 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.923 -20.160 11.693 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.453 -19.913 13.374 1.00 0.00 H new ATOM 1228 N LEU A 86 -21.078 -20.740 9.875 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.183 -21.364 9.156 1.00 0.00 C ATOM 1230 C LEU A 86 -21.839 -22.798 8.766 1.00 0.00 C ATOM 1231 O LEU A 86 -21.268 -23.043 7.704 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.527 -20.553 7.906 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.573 -19.452 8.087 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -23.491 -18.445 6.951 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.970 -20.052 8.170 1.00 0.00 C ATOM 0 H LEU A 86 -20.510 -20.110 9.309 1.00 0.00 H new ATOM 0 HA LEU A 86 -23.049 -21.385 9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.611 -20.098 7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.881 -21.240 7.138 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.366 -18.931 9.022 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.243 -17.669 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.500 -17.992 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.671 -18.951 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.702 -19.254 8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -25.187 -20.598 7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -25.023 -20.734 9.019 1.00 0.00 H new ATOM 1247 N TRP A 87 -22.192 -23.742 9.632 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.923 -25.152 9.377 1.00 0.00 C ATOM 1249 C TRP A 87 -22.950 -25.737 8.414 1.00 0.00 C ATOM 1250 O TRP A 87 -24.097 -25.295 8.349 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.929 -25.939 10.688 1.00 0.00 C ATOM 1252 CG TRP A 87 -21.123 -25.291 11.773 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.518 -24.271 12.590 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.783 -25.619 12.157 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.505 -23.945 13.459 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.430 -24.757 13.214 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.848 -26.557 11.712 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -18.182 -24.808 13.830 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.610 -26.605 12.324 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.286 -25.736 13.374 1.00 0.00 C ATOM 0 H TRP A 87 -22.665 -23.556 10.516 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.937 -25.231 8.919 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.958 -26.055 11.029 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.539 -26.940 10.504 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.485 -23.791 12.558 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.547 -23.216 14.171 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -19.088 -27.232 10.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.930 -24.139 14.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.879 -27.325 11.987 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.310 -25.800 13.832 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.532 -26.756 7.648 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.402 -27.424 6.675 1.00 0.00 C ATOM 1273 C PRO A 88 -24.495 -28.248 7.345 1.00 0.00 C ATOM 1274 O PRO A 88 -24.278 -28.842 8.401 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.441 -28.334 5.906 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.320 -28.588 6.854 1.00 0.00 C ATOM 1277 CD PRO A 88 -21.178 -27.334 7.673 1.00 0.00 C ATOM 0 HA PRO A 88 -23.931 -26.710 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.927 -29.263 5.610 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.087 -27.855 4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.534 -29.447 7.490 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.398 -28.810 6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.853 -27.553 8.690 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.443 -26.654 7.243 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.670 -28.280 6.724 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.798 -29.033 7.262 1.00 0.00 C ATOM 1287 C GLU A 89 -26.479 -30.524 7.318 1.00 0.00 C ATOM 1288 O GLU A 89 -26.906 -31.227 8.233 1.00 0.00 O ATOM 1289 CB GLU A 89 -28.048 -28.799 6.412 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.937 -29.349 5.000 1.00 0.00 C ATOM 1291 CD GLU A 89 -29.192 -29.116 4.183 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -30.182 -29.847 4.394 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -29.185 -28.202 3.332 1.00 0.00 O ATOM 0 H GLU A 89 -25.866 -27.794 5.849 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.986 -28.681 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.904 -29.259 6.906 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -28.247 -27.729 6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -27.089 -28.882 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.731 -30.418 5.046 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.727 -31.000 6.330 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.350 -32.407 6.267 1.00 0.00 C ATOM 1302 C ALA A 90 -25.139 -32.982 7.663 1.00 0.00 C ATOM 1303 O ALA A 90 -25.549 -34.106 7.950 1.00 0.00 O ATOM 1304 CB ALA A 90 -24.093 -32.579 5.427 1.00 0.00 C ATOM 0 H ALA A 90 -25.367 -30.432 5.563 1.00 0.00 H new ATOM 0 HA ALA A 90 -26.166 -32.956 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.823 -33.634 5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.278 -32.215 4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.277 -32.012 5.874 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.496 -32.204 8.528 1.00 0.00 N ATOM 1311 CA ALA A 91 -24.232 -32.636 9.894 1.00 0.00 C ATOM 1312 C ALA A 91 -25.519 -32.696 10.710 1.00 0.00 C ATOM 1313 O ALA A 91 -26.273 -31.725 10.770 1.00 0.00 O ATOM 1314 CB ALA A 91 -23.227 -31.705 10.558 1.00 0.00 C ATOM 0 H ALA A 91 -24.148 -31.271 8.306 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.810 -33.640 9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -23.039 -32.040 11.578 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -22.294 -31.716 9.995 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.627 -30.691 10.577 1.00 0.00 H new ATOM 1320 N SER A 92 -25.764 -33.842 11.336 1.00 0.00 N ATOM 1321 CA SER A 92 -26.963 -34.030 12.145 1.00 0.00 C ATOM 1322 C SER A 92 -26.685 -33.713 13.611 1.00 0.00 C ATOM 1323 O SER A 92 -27.516 -33.118 14.297 1.00 0.00 O ATOM 1324 CB SER A 92 -27.475 -35.466 12.010 1.00 0.00 C ATOM 1325 OG SER A 92 -28.247 -35.624 10.833 1.00 0.00 O ATOM 0 H SER A 92 -25.149 -34.655 11.299 1.00 0.00 H new ATOM 0 HA SER A 92 -27.728 -33.343 11.782 1.00 0.00 H new ATOM 0 HB2 SER A 92 -26.631 -36.156 11.990 1.00 0.00 H new ATOM 0 HB3 SER A 92 -28.077 -35.724 12.881 1.00 0.00 H new ATOM 0 HG SER A 92 -28.561 -36.550 10.769 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.510 -34.113 14.083 1.00 0.00 N ATOM 1332 CA ASP A 93 -25.120 -33.871 15.468 1.00 0.00 C ATOM 1333 C ASP A 93 -24.235 -32.633 15.574 1.00 0.00 C ATOM 1334 O ASP A 93 -23.443 -32.346 14.678 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.386 -35.088 16.033 1.00 0.00 C ATOM 1336 CG ASP A 93 -24.584 -35.241 17.528 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -24.440 -34.234 18.252 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -24.884 -36.368 17.975 1.00 0.00 O ATOM 0 H ASP A 93 -24.811 -34.606 13.528 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.025 -33.700 16.051 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.739 -35.988 15.529 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.321 -34.999 15.818 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.379 -31.903 16.676 1.00 0.00 N ATOM 1344 CA GLU A 94 -23.594 -30.694 16.898 1.00 0.00 C ATOM 1345 C GLU A 94 -22.163 -31.041 17.300 1.00 0.00 C ATOM 1346 O GLU A 94 -21.251 -30.224 17.163 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.244 -29.828 17.979 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.075 -30.381 19.384 1.00 0.00 C ATOM 1349 CD GLU A 94 -24.860 -29.597 20.418 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -26.104 -29.565 20.318 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -24.230 -29.015 21.326 1.00 0.00 O ATOM 0 H GLU A 94 -25.031 -32.127 17.428 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.565 -30.134 15.964 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.815 -28.827 17.937 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.308 -29.728 17.762 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.397 -31.422 19.402 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.018 -30.370 19.650 1.00 0.00 H new ATOM 1358 N THR A 95 -21.973 -32.258 17.799 1.00 0.00 N ATOM 1359 CA THR A 95 -20.655 -32.714 18.223 1.00 0.00 C ATOM 1360 C THR A 95 -19.834 -33.202 17.036 1.00 0.00 C ATOM 1361 O THR A 95 -18.604 -33.224 17.085 1.00 0.00 O ATOM 1362 CB THR A 95 -20.760 -33.847 19.261 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.549 -33.418 20.377 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.379 -34.269 19.742 1.00 0.00 C ATOM 0 H THR A 95 -22.716 -32.946 17.920 1.00 0.00 H new ATOM 0 HA THR A 95 -20.156 -31.859 18.679 1.00 0.00 H new ATOM 0 HB THR A 95 -21.240 -34.703 18.786 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.612 -34.145 21.031 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.478 -35.070 20.474 1.00 0.00 H new ATOM 0 HG22 THR A 95 -18.791 -34.622 18.895 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.878 -33.417 20.202 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.520 -33.592 15.967 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.855 -34.079 14.765 1.00 0.00 C ATOM 1374 C LYS A 96 -19.034 -32.972 14.111 1.00 0.00 C ATOM 1375 O LYS A 96 -17.858 -33.158 13.799 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.885 -34.620 13.771 1.00 0.00 C ATOM 1377 CG LYS A 96 -20.344 -35.721 12.874 1.00 0.00 C ATOM 1378 CD LYS A 96 -20.346 -37.066 13.579 1.00 0.00 C ATOM 1379 CE LYS A 96 -19.537 -38.100 12.810 1.00 0.00 C ATOM 1380 NZ LYS A 96 -19.226 -39.294 13.645 1.00 0.00 N ATOM 0 H LYS A 96 -21.538 -33.580 15.909 1.00 0.00 H new ATOM 0 HA LYS A 96 -19.180 -34.885 15.054 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.744 -35.001 14.322 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -21.244 -33.800 13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -20.947 -35.783 11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -19.329 -35.473 12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -19.934 -36.953 14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -21.372 -37.417 13.693 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -20.092 -38.410 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.608 -37.649 12.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.674 -39.975 13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.674 -39.002 14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -20.112 -39.740 13.957 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.662 -31.818 13.907 1.00 0.00 N ATOM 1395 CA LYS A 97 -18.990 -30.679 13.293 1.00 0.00 C ATOM 1396 C LYS A 97 -17.988 -30.054 14.258 1.00 0.00 C ATOM 1397 O LYS A 97 -16.903 -29.635 13.855 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.016 -29.631 12.856 1.00 0.00 C ATOM 1399 CG LYS A 97 -20.875 -29.109 13.994 1.00 0.00 C ATOM 1400 CD LYS A 97 -21.915 -28.118 13.499 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.194 -28.821 13.070 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.227 -27.856 12.602 1.00 0.00 N ATOM 0 H LYS A 97 -20.636 -31.647 14.158 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.449 -31.036 12.417 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -19.493 -28.794 12.393 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.663 -30.064 12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.373 -29.944 14.488 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -20.241 -28.630 14.740 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.140 -27.400 14.288 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -21.510 -27.553 12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -22.969 -29.528 12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -23.589 -29.399 13.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.171 -28.198 12.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.057 -26.927 13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -24.176 -27.768 11.567 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.359 -29.994 15.533 1.00 0.00 N ATOM 1417 CA ARG A 98 -17.492 -29.420 16.555 1.00 0.00 C ATOM 1418 C ARG A 98 -16.196 -30.216 16.678 1.00 0.00 C ATOM 1419 O ARG A 98 -15.204 -29.729 17.222 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.212 -29.385 17.904 1.00 0.00 C ATOM 1421 CG ARG A 98 -19.160 -28.207 18.058 1.00 0.00 C ATOM 1422 CD ARG A 98 -19.533 -27.979 19.515 1.00 0.00 C ATOM 1423 NE ARG A 98 -18.584 -27.100 20.192 1.00 0.00 N ATOM 1424 CZ ARG A 98 -18.629 -26.833 21.493 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -19.571 -27.374 22.252 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -17.729 -26.022 22.036 1.00 0.00 N ATOM 0 H ARG A 98 -19.254 -30.336 15.883 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.245 -28.401 16.256 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -18.773 -30.311 18.031 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -17.470 -29.350 18.702 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -18.693 -27.308 17.656 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -20.063 -28.386 17.474 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -20.531 -27.545 19.570 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -19.573 -28.937 20.033 1.00 0.00 H new ATOM 0 HE ARG A 98 -17.846 -26.667 19.636 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -20.264 -27.997 21.838 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -19.603 -27.167 23.250 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.003 -25.604 21.455 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.764 -25.817 23.035 1.00 0.00 H new ATOM 1440 N THR A 99 -16.211 -31.444 16.170 1.00 0.00 N ATOM 1441 CA THR A 99 -15.039 -32.309 16.225 1.00 0.00 C ATOM 1442 C THR A 99 -14.461 -32.540 14.833 1.00 0.00 C ATOM 1443 O THR A 99 -13.553 -33.351 14.655 1.00 0.00 O ATOM 1444 CB THR A 99 -15.374 -33.671 16.861 1.00 0.00 C ATOM 1445 OG1 THR A 99 -14.170 -34.336 17.257 1.00 0.00 O ATOM 1446 CG2 THR A 99 -16.149 -34.547 15.888 1.00 0.00 C ATOM 0 H THR A 99 -17.023 -31.862 15.715 1.00 0.00 H new ATOM 0 HA THR A 99 -14.300 -31.800 16.844 1.00 0.00 H new ATOM 0 HB THR A 99 -15.996 -33.494 17.739 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.505 -34.263 16.541 1.00 0.00 H new ATOM 0 HG21 THR A 99 -16.374 -35.504 16.360 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.079 -34.050 15.613 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.549 -34.716 14.993 1.00 0.00 H new ATOM 1454 N ALA A 100 -14.993 -31.822 13.850 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.527 -31.947 12.474 1.00 0.00 C ATOM 1456 C ALA A 100 -13.116 -31.390 12.319 1.00 0.00 C ATOM 1457 O ALA A 100 -12.464 -31.599 11.296 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.483 -31.237 11.527 1.00 0.00 C ATOM 0 H ALA A 100 -15.747 -31.148 13.980 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.501 -33.007 12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.123 -31.338 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.474 -31.683 11.609 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.538 -30.181 11.790 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.650 -30.680 13.341 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.316 -30.091 13.318 1.00 0.00 C ATOM 1466 C PHE A 101 -10.342 -30.919 14.152 1.00 0.00 C ATOM 1467 O PHE A 101 -9.313 -30.416 14.603 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.360 -28.654 13.841 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.821 -27.657 12.817 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -10.992 -27.285 11.771 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.083 -27.091 12.900 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.413 -26.368 10.826 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.510 -26.174 11.959 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.673 -25.811 10.921 1.00 0.00 C ATOM 0 H PHE A 101 -13.176 -30.498 14.196 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.967 -30.083 12.285 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.025 -28.610 14.704 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.366 -28.372 14.189 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.005 -27.717 11.693 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.741 -27.370 13.710 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.757 -26.088 10.015 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.497 -25.741 12.035 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.004 -25.093 10.185 1.00 0.00 H new ATOM 1484 N ALA A 102 -10.675 -32.190 14.351 1.00 0.00 N ATOM 1485 CA ALA A 102 -9.830 -33.087 15.129 1.00 0.00 C ATOM 1486 C ALA A 102 -8.450 -33.229 14.495 1.00 0.00 C ATOM 1487 O ALA A 102 -8.323 -33.674 13.355 1.00 0.00 O ATOM 1488 CB ALA A 102 -10.493 -34.450 15.266 1.00 0.00 C ATOM 0 H ALA A 102 -11.523 -32.621 13.984 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.702 -32.656 16.122 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.851 -35.110 15.849 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.453 -34.339 15.770 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.651 -34.879 14.276 1.00 0.00 H new ATOM 1494 N GLY A 103 -7.418 -32.848 15.242 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.062 -32.940 14.736 1.00 0.00 C ATOM 1496 C GLY A 103 -5.454 -31.580 14.456 1.00 0.00 C ATOM 1497 O GLY A 103 -4.232 -31.434 14.410 1.00 0.00 O ATOM 0 H GLY A 103 -7.498 -32.477 16.189 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.443 -33.469 15.460 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.058 -33.532 13.820 1.00 0.00 H new ATOM 1501 N THR A 104 -6.308 -30.579 14.265 1.00 0.00 N ATOM 1502 CA THR A 104 -5.849 -29.225 13.985 1.00 0.00 C ATOM 1503 C THR A 104 -5.729 -28.409 15.267 1.00 0.00 C ATOM 1504 O THR A 104 -6.272 -28.784 16.306 1.00 0.00 O ATOM 1505 CB THR A 104 -6.799 -28.498 13.015 1.00 0.00 C ATOM 1506 OG1 THR A 104 -8.135 -28.518 13.531 1.00 0.00 O ATOM 1507 CG2 THR A 104 -6.772 -29.150 11.641 1.00 0.00 C ATOM 0 H THR A 104 -7.322 -30.681 14.299 1.00 0.00 H new ATOM 0 HA THR A 104 -4.867 -29.315 13.521 1.00 0.00 H new ATOM 0 HB THR A 104 -6.463 -27.466 12.917 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.469 -29.439 13.539 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.451 -28.619 10.973 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.760 -29.108 11.238 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.086 -30.190 11.726 1.00 0.00 H new ATOM 1515 N ALA A 105 -5.015 -27.291 15.187 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.827 -26.420 16.341 1.00 0.00 C ATOM 1517 C ALA A 105 -5.979 -25.430 16.476 1.00 0.00 C ATOM 1518 O ALA A 105 -5.903 -24.477 17.252 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.502 -25.680 16.233 1.00 0.00 C ATOM 0 H ALA A 105 -4.557 -26.967 14.335 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.811 -27.042 17.236 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.375 -25.033 17.101 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.685 -26.400 16.194 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.496 -25.075 15.326 1.00 0.00 H new ATOM 1525 N ILE A 106 -7.044 -25.662 15.716 1.00 0.00 N ATOM 1526 CA ILE A 106 -8.211 -24.790 15.751 1.00 0.00 C ATOM 1527 C ILE A 106 -9.097 -25.105 16.952 1.00 0.00 C ATOM 1528 O ILE A 106 -9.466 -26.258 17.178 1.00 0.00 O ATOM 1529 CB ILE A 106 -9.048 -24.916 14.464 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.331 -24.235 13.296 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.429 -24.312 14.669 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.758 -24.754 11.940 1.00 0.00 C ATOM 0 H ILE A 106 -7.123 -26.446 15.069 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.839 -23.769 15.834 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.167 -25.973 14.227 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.518 -23.162 13.341 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.256 -24.376 13.408 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -11.008 -24.409 13.751 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.939 -24.836 15.477 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.330 -23.257 14.926 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.210 -24.227 11.159 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.545 -25.821 11.875 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.827 -24.588 11.807 1.00 0.00 H new ATOM 1544 N SER A 107 -9.435 -24.073 17.718 1.00 0.00 N ATOM 1545 CA SER A 107 -10.276 -24.240 18.898 1.00 0.00 C ATOM 1546 C SER A 107 -11.595 -23.489 18.736 1.00 0.00 C ATOM 1547 O SER A 107 -11.631 -22.259 18.787 1.00 0.00 O ATOM 1548 CB SER A 107 -9.544 -23.745 20.146 1.00 0.00 C ATOM 1549 OG SER A 107 -8.600 -24.701 20.597 1.00 0.00 O ATOM 0 H SER A 107 -9.140 -23.113 17.543 1.00 0.00 H new ATOM 0 HA SER A 107 -10.494 -25.302 19.011 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.038 -22.805 19.926 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.265 -23.540 20.937 1.00 0.00 H new ATOM 0 HG SER A 107 -8.144 -24.360 21.395 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.674 -24.238 18.540 1.00 0.00 N ATOM 1556 CA ILE A 108 -13.995 -23.644 18.371 1.00 0.00 C ATOM 1557 C ILE A 108 -14.797 -23.711 19.667 1.00 0.00 C ATOM 1558 O ILE A 108 -14.786 -24.725 20.365 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.789 -24.345 17.253 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -15.961 -23.470 16.805 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.284 -25.703 17.726 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.578 -22.422 15.784 1.00 0.00 C ATOM 0 H ILE A 108 -12.660 -25.257 18.494 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.839 -22.601 18.095 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.128 -24.499 16.400 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.739 -24.107 16.385 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.389 -22.976 17.677 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.843 -26.186 16.925 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.432 -26.325 18.000 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.932 -25.572 18.593 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.458 -21.839 15.513 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.822 -21.761 16.207 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.177 -22.909 14.895 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.494 -22.624 19.982 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.304 -22.559 21.192 1.00 0.00 C ATOM 1576 C VAL A 109 -17.603 -21.800 20.943 1.00 0.00 C ATOM 1577 O VAL A 109 -17.833 -21.283 19.850 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.540 -21.882 22.345 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.633 -22.883 23.045 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -14.739 -20.696 21.828 1.00 0.00 C ATOM 0 H VAL A 109 -15.514 -21.776 19.415 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.534 -23.587 21.474 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.264 -21.514 23.072 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.101 -22.387 23.857 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.234 -23.698 23.449 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.913 -23.283 22.331 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.205 -20.229 22.656 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.023 -21.039 21.081 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -15.415 -19.970 21.376 1.00 0.00 H new