USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=23 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 38 MET CE :methyl 176:sc= -0.942 (180deg=-0.971) USER MOD Set 1.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -27:sc= 0.133 USER MOD Single : A 22 THR OG1 : rot 34:sc= 1.06 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 -173:sc= -1.01 (180deg=-1.25) USER MOD Single : A 35 THR OG1 : rot -109:sc= 0.00278 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 67 GLN : amide:sc= -1.84 K(o=-1.8,f=-4.8!) USER MOD Single : A 68 THR OG1 : rot -39:sc= 0.513 USER MOD Single : A 69 SER OG : rot 24:sc= 1.96 USER MOD Single : A 70 THR OG1 : rot -17:sc= 0.674 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0869 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 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 46:sc= -0.875! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 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+ -104:sc= -1.51! (180deg=-3.62!) USER MOD Single : A 99 THR OG1 : rot 68:sc= -2.1! USER MOD Single : A 104 THR OG1 : rot -58:sc= 0.508 USER MOD Single : A 107 SER OG : rot 180:sc=-0.00209 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.740 -17.100 8.277 1.00 0.00 N ATOM 283 CA THR A 20 -3.694 -17.606 7.299 1.00 0.00 C ATOM 284 C THR A 20 -2.985 -18.345 6.170 1.00 0.00 C ATOM 285 O THR A 20 -1.851 -18.019 5.818 1.00 0.00 O ATOM 286 CB THR A 20 -4.542 -16.469 6.700 1.00 0.00 C ATOM 287 OG1 THR A 20 -3.689 -15.434 6.197 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.487 -15.891 7.742 1.00 0.00 C ATOM 0 HA THR A 20 -4.350 -18.298 7.827 1.00 0.00 H new ATOM 0 HB THR A 20 -5.135 -16.880 5.883 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.842 -15.439 6.691 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.075 -15.090 7.295 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.155 -16.674 8.102 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.909 -15.495 8.577 1.00 0.00 H new ATOM 296 N ALA A 21 -3.659 -19.341 5.606 1.00 0.00 N ATOM 297 CA ALA A 21 -3.093 -20.125 4.514 1.00 0.00 C ATOM 298 C ALA A 21 -3.642 -19.666 3.167 1.00 0.00 C ATOM 299 O ALA A 21 -4.642 -18.950 3.103 1.00 0.00 O ATOM 300 CB ALA A 21 -3.376 -21.605 4.725 1.00 0.00 C ATOM 0 H ALA A 21 -4.598 -19.625 5.887 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.014 -19.970 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.948 -22.178 3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.930 -21.930 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.453 -21.768 4.759 1.00 0.00 H new ATOM 306 N THR A 22 -2.982 -20.083 2.091 1.00 0.00 N ATOM 307 CA THR A 22 -3.402 -19.713 0.746 1.00 0.00 C ATOM 308 C THR A 22 -3.396 -20.921 -0.184 1.00 0.00 C ATOM 309 O THR A 22 -2.337 -21.389 -0.601 1.00 0.00 O ATOM 310 CB THR A 22 -2.494 -18.619 0.154 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.151 -19.105 0.042 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.516 -17.369 1.020 1.00 0.00 C ATOM 0 H THR A 22 -2.154 -20.678 2.126 1.00 0.00 H new ATOM 0 HA THR A 22 -4.418 -19.326 0.828 1.00 0.00 H new ATOM 0 HB THR A 22 -2.871 -18.362 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.166 -20.062 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.867 -16.611 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.534 -16.985 1.079 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.162 -17.614 2.021 1.00 0.00 H new ATOM 320 N ALA A 23 -4.584 -21.422 -0.504 1.00 0.00 N ATOM 321 CA ALA A 23 -4.715 -22.574 -1.387 1.00 0.00 C ATOM 322 C ALA A 23 -4.951 -22.137 -2.829 1.00 0.00 C ATOM 323 O ALA A 23 -5.490 -21.063 -3.097 1.00 0.00 O ATOM 324 CB ALA A 23 -5.846 -23.475 -0.915 1.00 0.00 C ATOM 0 H ALA A 23 -5.470 -21.048 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.781 -23.134 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.932 -24.331 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.635 -23.824 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.782 -22.916 -0.918 1.00 0.00 H new ATOM 330 N PRO A 24 -4.539 -22.988 -3.781 1.00 0.00 N ATOM 331 CA PRO A 24 -4.695 -22.710 -5.212 1.00 0.00 C ATOM 332 C PRO A 24 -6.152 -22.765 -5.657 1.00 0.00 C ATOM 333 O PRO A 24 -6.457 -22.603 -6.838 1.00 0.00 O ATOM 334 CB PRO A 24 -3.890 -23.827 -5.880 1.00 0.00 C ATOM 335 CG PRO A 24 -3.889 -24.939 -4.888 1.00 0.00 C ATOM 336 CD PRO A 24 -3.889 -24.285 -3.533 1.00 0.00 C ATOM 0 HA PRO A 24 -4.356 -21.707 -5.472 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.346 -24.136 -6.820 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.876 -23.501 -6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.765 -25.575 -5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.012 -25.574 -5.015 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.439 -24.877 -2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.877 -24.160 -3.147 1.00 0.00 H new ATOM 344 N GLY A 25 -7.050 -22.993 -4.703 1.00 0.00 N ATOM 345 CA GLY A 25 -8.465 -23.065 -5.017 1.00 0.00 C ATOM 346 C GLY A 25 -8.833 -24.341 -5.748 1.00 0.00 C ATOM 347 O GLY A 25 -8.207 -24.695 -6.747 1.00 0.00 O ATOM 0 H GLY A 25 -6.822 -23.129 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.042 -22.999 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.742 -22.207 -5.629 1.00 0.00 H new ATOM 351 N GLY A 26 -9.851 -25.035 -5.248 1.00 0.00 N ATOM 352 CA GLY A 26 -10.282 -26.273 -5.871 1.00 0.00 C ATOM 353 C GLY A 26 -11.757 -26.546 -5.657 1.00 0.00 C ATOM 354 O GLY A 26 -12.234 -27.654 -5.908 1.00 0.00 O ATOM 0 H GLY A 26 -10.385 -24.762 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.075 -26.229 -6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.700 -27.101 -5.467 1.00 0.00 H new ATOM 358 N LEU A 27 -12.483 -25.536 -5.191 1.00 0.00 N ATOM 359 CA LEU A 27 -13.914 -25.673 -4.941 1.00 0.00 C ATOM 360 C LEU A 27 -14.653 -26.074 -6.214 1.00 0.00 C ATOM 361 O LEU A 27 -14.075 -26.090 -7.300 1.00 0.00 O ATOM 362 CB LEU A 27 -14.485 -24.362 -4.398 1.00 0.00 C ATOM 363 CG LEU A 27 -14.478 -24.205 -2.877 1.00 0.00 C ATOM 364 CD1 LEU A 27 -13.149 -23.635 -2.405 1.00 0.00 C ATOM 365 CD2 LEU A 27 -15.630 -23.320 -2.427 1.00 0.00 C ATOM 0 H LEU A 27 -12.105 -24.613 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.054 -26.458 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.920 -23.536 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.512 -24.264 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.607 -25.190 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.163 -23.530 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.341 -24.307 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.989 -22.658 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.609 -23.219 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.533 -22.335 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.575 -23.770 -2.732 1.00 0.00 H new ATOM 377 N SER A 28 -15.934 -26.397 -6.071 1.00 0.00 N ATOM 378 CA SER A 28 -16.752 -26.800 -7.209 1.00 0.00 C ATOM 379 C SER A 28 -18.035 -25.976 -7.274 1.00 0.00 C ATOM 380 O SER A 28 -18.825 -26.112 -8.208 1.00 0.00 O ATOM 381 CB SER A 28 -17.093 -28.289 -7.117 1.00 0.00 C ATOM 382 OG SER A 28 -17.984 -28.543 -6.045 1.00 0.00 O ATOM 0 H SER A 28 -16.428 -26.388 -5.179 1.00 0.00 H new ATOM 0 HA SER A 28 -16.179 -26.621 -8.119 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.542 -28.621 -8.053 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.179 -28.867 -6.979 1.00 0.00 H new ATOM 0 HG SER A 28 -18.188 -29.501 -6.009 1.00 0.00 H new ATOM 388 N ALA A 29 -18.234 -25.123 -6.276 1.00 0.00 N ATOM 389 CA ALA A 29 -19.419 -24.275 -6.220 1.00 0.00 C ATOM 390 C ALA A 29 -19.186 -23.064 -5.323 1.00 0.00 C ATOM 391 O ALA A 29 -18.224 -23.023 -4.555 1.00 0.00 O ATOM 392 CB ALA A 29 -20.617 -25.075 -5.729 1.00 0.00 C ATOM 0 H ALA A 29 -17.590 -25.000 -5.494 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.625 -23.914 -7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.495 -24.430 -5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.805 -25.904 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.411 -25.464 -4.732 1.00 0.00 H new ATOM 398 N LYS A 30 -20.071 -22.078 -5.426 1.00 0.00 N ATOM 399 CA LYS A 30 -19.962 -20.865 -4.625 1.00 0.00 C ATOM 400 C LYS A 30 -20.333 -21.139 -3.171 1.00 0.00 C ATOM 401 O LYS A 30 -21.336 -21.794 -2.889 1.00 0.00 O ATOM 402 CB LYS A 30 -20.866 -19.770 -5.195 1.00 0.00 C ATOM 403 CG LYS A 30 -22.329 -20.171 -5.279 1.00 0.00 C ATOM 404 CD LYS A 30 -23.129 -19.187 -6.116 1.00 0.00 C ATOM 405 CE LYS A 30 -23.151 -19.592 -7.583 1.00 0.00 C ATOM 406 NZ LYS A 30 -24.294 -20.494 -7.893 1.00 0.00 N ATOM 0 H LYS A 30 -20.872 -22.096 -6.057 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.926 -20.527 -4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.778 -18.878 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.514 -19.502 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.410 -21.168 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.751 -20.224 -4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.150 -19.131 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.698 -18.191 -6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.214 -18.699 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -22.216 -20.091 -7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.273 -20.747 -8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.221 -21.358 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.188 -20.009 -7.676 1.00 0.00 H new ATOM 420 N ALA A 31 -19.519 -20.631 -2.251 1.00 0.00 N ATOM 421 CA ALA A 31 -19.764 -20.818 -0.827 1.00 0.00 C ATOM 422 C ALA A 31 -19.364 -19.579 -0.034 1.00 0.00 C ATOM 423 O ALA A 31 -18.348 -18.939 -0.306 1.00 0.00 O ATOM 424 CB ALA A 31 -19.011 -22.039 -0.317 1.00 0.00 C ATOM 0 H ALA A 31 -18.684 -20.087 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.833 -20.979 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.203 -22.166 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.348 -22.925 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.942 -21.901 -0.479 1.00 0.00 H new ATOM 430 N PRO A 32 -20.181 -19.230 0.971 1.00 0.00 N ATOM 431 CA PRO A 32 -19.933 -18.064 1.824 1.00 0.00 C ATOM 432 C PRO A 32 -18.730 -18.261 2.741 1.00 0.00 C ATOM 433 O PRO A 32 -18.287 -19.387 2.965 1.00 0.00 O ATOM 434 CB PRO A 32 -21.218 -17.946 2.647 1.00 0.00 C ATOM 435 CG PRO A 32 -21.780 -19.326 2.671 1.00 0.00 C ATOM 436 CD PRO A 32 -21.410 -19.946 1.352 1.00 0.00 C ATOM 0 HA PRO A 32 -19.702 -17.174 1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.011 -17.585 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.916 -17.242 2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.369 -19.900 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.862 -19.305 2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.238 -21.018 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -22.198 -19.814 0.611 1.00 0.00 H new ATOM 444 N ALA A 33 -18.206 -17.159 3.268 1.00 0.00 N ATOM 445 CA ALA A 33 -17.056 -17.212 4.162 1.00 0.00 C ATOM 446 C ALA A 33 -17.478 -17.591 5.577 1.00 0.00 C ATOM 447 O ALA A 33 -18.644 -17.899 5.826 1.00 0.00 O ATOM 448 CB ALA A 33 -16.329 -15.876 4.165 1.00 0.00 C ATOM 0 H ALA A 33 -18.560 -16.219 3.091 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.377 -17.982 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.472 -15.929 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.985 -15.646 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.008 -15.093 4.504 1.00 0.00 H new ATOM 454 N MET A 34 -16.523 -17.566 6.501 1.00 0.00 N ATOM 455 CA MET A 34 -16.798 -17.907 7.892 1.00 0.00 C ATOM 456 C MET A 34 -17.343 -19.327 8.007 1.00 0.00 C ATOM 457 O MET A 34 -18.387 -19.555 8.621 1.00 0.00 O ATOM 458 CB MET A 34 -17.794 -16.915 8.496 1.00 0.00 C ATOM 459 CG MET A 34 -17.139 -15.666 9.065 1.00 0.00 C ATOM 460 SD MET A 34 -15.893 -16.043 10.313 1.00 0.00 S ATOM 461 CE MET A 34 -16.764 -17.252 11.307 1.00 0.00 C ATOM 0 H MET A 34 -15.553 -17.313 6.312 1.00 0.00 H new ATOM 0 HA MET A 34 -15.860 -17.851 8.445 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.512 -16.622 7.730 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.356 -17.413 9.286 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.677 -15.101 8.255 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.905 -15.026 9.503 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.173 -17.490 12.191 1.00 0.00 H new ATOM 0 HE2 MET A 34 -17.727 -16.845 11.614 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.923 -18.158 10.722 1.00 0.00 H new ATOM 471 N THR A 35 -16.632 -20.279 7.412 1.00 0.00 N ATOM 472 CA THR A 35 -17.046 -21.676 7.447 1.00 0.00 C ATOM 473 C THR A 35 -15.860 -22.607 7.220 1.00 0.00 C ATOM 474 O THR A 35 -14.924 -22.292 6.485 1.00 0.00 O ATOM 475 CB THR A 35 -18.124 -21.969 6.386 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.570 -21.829 5.073 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.309 -21.029 6.544 1.00 0.00 C ATOM 0 H THR A 35 -15.767 -20.108 6.900 1.00 0.00 H new ATOM 0 HA THR A 35 -17.463 -21.857 8.438 1.00 0.00 H new ATOM 0 HB THR A 35 -18.471 -22.993 6.527 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.939 -21.028 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.057 -21.255 5.784 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.747 -21.159 7.534 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.974 -19.998 6.428 1.00 0.00 H new ATOM 485 N PRO A 36 -15.898 -23.782 7.865 1.00 0.00 N ATOM 486 CA PRO A 36 -14.834 -24.784 7.749 1.00 0.00 C ATOM 487 C PRO A 36 -14.796 -25.431 6.368 1.00 0.00 C ATOM 488 O PRO A 36 -15.836 -25.652 5.746 1.00 0.00 O ATOM 489 CB PRO A 36 -15.202 -25.819 8.815 1.00 0.00 C ATOM 490 CG PRO A 36 -16.675 -25.679 8.985 1.00 0.00 C ATOM 491 CD PRO A 36 -16.982 -24.224 8.758 1.00 0.00 C ATOM 0 HA PRO A 36 -13.845 -24.346 7.885 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.934 -26.827 8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.676 -25.629 9.750 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.211 -26.307 8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.984 -25.992 9.982 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -17.961 -24.087 8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.986 -23.664 9.693 1.00 0.00 H new ATOM 499 N LEU A 37 -13.592 -25.733 5.895 1.00 0.00 N ATOM 500 CA LEU A 37 -13.418 -26.356 4.587 1.00 0.00 C ATOM 501 C LEU A 37 -12.563 -27.614 4.693 1.00 0.00 C ATOM 502 O LEU A 37 -11.892 -27.838 5.700 1.00 0.00 O ATOM 503 CB LEU A 37 -12.775 -25.369 3.611 1.00 0.00 C ATOM 504 CG LEU A 37 -13.169 -23.902 3.784 1.00 0.00 C ATOM 505 CD1 LEU A 37 -12.098 -22.990 3.206 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.515 -23.629 3.128 1.00 0.00 C ATOM 0 H LEU A 37 -12.722 -25.557 6.397 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.402 -26.638 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.692 -25.447 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.028 -25.675 2.596 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.259 -23.694 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.396 -21.950 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.154 -23.165 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.976 -23.200 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.779 -22.580 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.453 -23.855 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.278 -24.256 3.589 1.00 0.00 H new ATOM 518 N MET A 38 -12.590 -28.432 3.646 1.00 0.00 N ATOM 519 CA MET A 38 -11.814 -29.667 3.620 1.00 0.00 C ATOM 520 C MET A 38 -10.835 -29.668 2.450 1.00 0.00 C ATOM 521 O MET A 38 -10.988 -28.903 1.497 1.00 0.00 O ATOM 522 CB MET A 38 -12.745 -30.877 3.523 1.00 0.00 C ATOM 523 CG MET A 38 -13.370 -31.054 2.148 1.00 0.00 C ATOM 524 SD MET A 38 -13.712 -32.781 1.758 1.00 0.00 S ATOM 525 CE MET A 38 -15.181 -33.067 2.743 1.00 0.00 C ATOM 0 H MET A 38 -13.141 -28.262 2.804 1.00 0.00 H new ATOM 0 HA MET A 38 -11.245 -29.730 4.547 1.00 0.00 H new ATOM 0 HB2 MET A 38 -12.185 -31.777 3.777 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.538 -30.775 4.263 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.298 -30.484 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.701 -30.641 1.393 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.556 -34.073 2.553 1.00 0.00 H new ATOM 0 HE2 MET A 38 -14.936 -32.964 3.800 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.946 -32.338 2.476 1.00 0.00 H new ATOM 535 N LEU A 39 -9.828 -30.532 2.530 1.00 0.00 N ATOM 536 CA LEU A 39 -8.822 -30.633 1.478 1.00 0.00 C ATOM 537 C LEU A 39 -9.414 -31.256 0.217 1.00 0.00 C ATOM 538 O LEU A 39 -10.507 -31.820 0.246 1.00 0.00 O ATOM 539 CB LEU A 39 -7.632 -31.463 1.961 1.00 0.00 C ATOM 540 CG LEU A 39 -6.278 -31.121 1.337 1.00 0.00 C ATOM 541 CD1 LEU A 39 -6.003 -29.629 1.443 1.00 0.00 C ATOM 542 CD2 LEU A 39 -5.167 -31.919 2.005 1.00 0.00 C ATOM 0 H LEU A 39 -9.687 -31.172 3.312 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.480 -29.626 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.550 -31.350 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.845 -32.514 1.766 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.307 -31.390 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.036 -29.405 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.783 -29.077 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.993 -29.335 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.211 -31.663 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.137 -31.681 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.357 -32.985 1.877 1.00 0.00 H new ATOM 626 N LYS A 45 -5.553 -29.449 -3.444 1.00 0.00 N ATOM 627 CA LYS A 45 -6.302 -28.198 -3.430 1.00 0.00 C ATOM 628 C LYS A 45 -7.227 -28.132 -2.219 1.00 0.00 C ATOM 629 O LYS A 45 -7.291 -29.068 -1.421 1.00 0.00 O ATOM 630 CB LYS A 45 -7.118 -28.054 -4.716 1.00 0.00 C ATOM 631 CG LYS A 45 -6.291 -27.624 -5.916 1.00 0.00 C ATOM 632 CD LYS A 45 -6.871 -28.161 -7.214 1.00 0.00 C ATOM 633 CE LYS A 45 -6.570 -27.235 -8.383 1.00 0.00 C ATOM 634 NZ LYS A 45 -6.695 -27.936 -9.691 1.00 0.00 N ATOM 0 HA LYS A 45 -5.588 -27.377 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.600 -29.006 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.912 -27.326 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.248 -26.536 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.267 -27.979 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.460 -29.150 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.950 -28.280 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.253 -26.386 -8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.561 -26.836 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.482 -27.272 -10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.025 -28.731 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.665 -28.295 -9.801 1.00 0.00 H new ATOM 648 N LEU A 46 -7.943 -27.021 -2.088 1.00 0.00 N ATOM 649 CA LEU A 46 -8.867 -26.833 -0.974 1.00 0.00 C ATOM 650 C LEU A 46 -10.298 -26.668 -1.475 1.00 0.00 C ATOM 651 O LEU A 46 -10.534 -26.077 -2.529 1.00 0.00 O ATOM 652 CB LEU A 46 -8.460 -25.611 -0.149 1.00 0.00 C ATOM 653 CG LEU A 46 -9.095 -25.495 1.237 1.00 0.00 C ATOM 654 CD1 LEU A 46 -8.393 -26.414 2.225 1.00 0.00 C ATOM 655 CD2 LEU A 46 -9.053 -24.054 1.725 1.00 0.00 C ATOM 0 H LEU A 46 -7.902 -26.237 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.822 -27.721 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.377 -25.622 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.709 -24.715 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.138 -25.803 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.859 -26.318 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.476 -27.446 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.341 -26.138 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.509 -23.991 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.017 -23.719 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.602 -23.418 1.030 1.00 0.00 H new ATOM 667 N VAL A 47 -11.251 -27.193 -0.712 1.00 0.00 N ATOM 668 CA VAL A 47 -12.660 -27.102 -1.076 1.00 0.00 C ATOM 669 C VAL A 47 -13.545 -27.029 0.163 1.00 0.00 C ATOM 670 O VAL A 47 -13.130 -27.410 1.257 1.00 0.00 O ATOM 671 CB VAL A 47 -13.097 -28.303 -1.936 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.155 -28.485 -3.116 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.158 -29.567 -1.092 1.00 0.00 C ATOM 0 H VAL A 47 -11.073 -27.686 0.163 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.778 -26.187 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.095 -28.105 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.479 -29.338 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.166 -27.586 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.144 -28.662 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.468 -30.406 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.173 -29.772 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.876 -29.430 -0.284 1.00 0.00 H new ATOM 683 N ALA A 48 -14.766 -26.538 -0.017 1.00 0.00 N ATOM 684 CA ALA A 48 -15.712 -26.418 1.087 1.00 0.00 C ATOM 685 C ALA A 48 -15.940 -27.766 1.763 1.00 0.00 C ATOM 686 O ALA A 48 -15.785 -28.817 1.141 1.00 0.00 O ATOM 687 CB ALA A 48 -17.030 -25.843 0.592 1.00 0.00 C ATOM 0 H ALA A 48 -15.124 -26.217 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.287 -25.738 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.726 -25.759 1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.858 -24.856 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.452 -26.501 -0.168 1.00 0.00 H new ATOM 693 N TRP A 49 -16.308 -27.727 3.038 1.00 0.00 N ATOM 694 CA TRP A 49 -16.557 -28.947 3.799 1.00 0.00 C ATOM 695 C TRP A 49 -17.877 -29.587 3.384 1.00 0.00 C ATOM 696 O TRP A 49 -18.814 -28.896 2.984 1.00 0.00 O ATOM 697 CB TRP A 49 -16.572 -28.643 5.298 1.00 0.00 C ATOM 698 CG TRP A 49 -16.813 -29.855 6.147 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.332 -31.115 5.932 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.596 -29.920 7.343 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.769 -31.960 6.924 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.545 -31.251 7.802 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.334 -28.985 8.073 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.205 -31.667 8.956 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.988 -29.398 9.218 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.920 -30.729 9.651 1.00 0.00 C ATOM 0 H TRP A 49 -16.441 -26.865 3.567 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.751 -29.650 3.586 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.620 -28.194 5.580 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.346 -27.904 5.504 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.701 -31.405 5.105 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.551 -32.954 6.995 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.392 -27.957 7.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.154 -32.693 9.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.561 -28.683 9.789 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.442 -31.020 10.551 1.00 0.00 H new ATOM 717 N ASP A 50 -17.944 -30.910 3.481 1.00 0.00 N ATOM 718 CA ASP A 50 -19.151 -31.643 3.117 1.00 0.00 C ATOM 719 C ASP A 50 -20.186 -31.576 4.235 1.00 0.00 C ATOM 720 O ASP A 50 -21.378 -31.406 3.982 1.00 0.00 O ATOM 721 CB ASP A 50 -18.813 -33.102 2.805 1.00 0.00 C ATOM 722 CG ASP A 50 -18.368 -33.299 1.369 1.00 0.00 C ATOM 723 OD1 ASP A 50 -17.727 -32.381 0.816 1.00 0.00 O ATOM 724 OD2 ASP A 50 -18.660 -34.371 0.799 1.00 0.00 O ATOM 0 H ASP A 50 -17.177 -31.497 3.809 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.574 -31.178 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.024 -33.441 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -19.687 -33.724 3.000 1.00 0.00 H new ATOM 729 N GLY A 51 -19.722 -31.711 5.474 1.00 0.00 N ATOM 730 CA GLY A 51 -20.620 -31.664 6.612 1.00 0.00 C ATOM 731 C GLY A 51 -20.817 -33.024 7.253 1.00 0.00 C ATOM 732 O GLY A 51 -21.262 -33.123 8.397 1.00 0.00 O ATOM 0 H GLY A 51 -18.740 -31.852 5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.225 -30.970 7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.586 -31.273 6.292 1.00 0.00 H new ATOM 736 N THR A 52 -20.485 -34.078 6.513 1.00 0.00 N ATOM 737 CA THR A 52 -20.630 -35.439 7.014 1.00 0.00 C ATOM 738 C THR A 52 -19.284 -36.012 7.446 1.00 0.00 C ATOM 739 O THR A 52 -19.165 -36.605 8.519 1.00 0.00 O ATOM 740 CB THR A 52 -21.253 -36.365 5.953 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.751 -36.029 4.654 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.770 -36.254 5.961 1.00 0.00 C ATOM 0 H THR A 52 -20.114 -34.015 5.565 1.00 0.00 H new ATOM 0 HA THR A 52 -21.294 -35.389 7.877 1.00 0.00 H new ATOM 0 HB THR A 52 -20.979 -37.392 6.193 1.00 0.00 H new ATOM 0 HG1 THR A 52 -21.151 -36.623 3.985 1.00 0.00 H new ATOM 0 HG21 THR A 52 -23.187 -36.917 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 52 -23.150 -36.539 6.942 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.061 -35.226 5.744 1.00 0.00 H new ATOM 750 N THR A 53 -18.272 -35.832 6.604 1.00 0.00 N ATOM 751 CA THR A 53 -16.935 -36.331 6.898 1.00 0.00 C ATOM 752 C THR A 53 -16.435 -35.807 8.239 1.00 0.00 C ATOM 753 O THR A 53 -16.162 -34.616 8.388 1.00 0.00 O ATOM 754 CB THR A 53 -15.932 -35.933 5.798 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.350 -36.467 4.537 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.536 -36.439 6.130 1.00 0.00 C ATOM 0 H THR A 53 -18.353 -35.344 5.712 1.00 0.00 H new ATOM 0 HA THR A 53 -17.006 -37.418 6.939 1.00 0.00 H new ATOM 0 HB THR A 53 -15.903 -34.845 5.740 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.708 -36.208 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.845 -36.146 5.339 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.208 -36.008 7.076 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.553 -37.526 6.213 1.00 0.00 H new ATOM 764 N ASP A 54 -16.316 -36.704 9.212 1.00 0.00 N ATOM 765 CA ASP A 54 -15.846 -36.332 10.542 1.00 0.00 C ATOM 766 C ASP A 54 -14.336 -36.119 10.545 1.00 0.00 C ATOM 767 O ASP A 54 -13.565 -37.066 10.391 1.00 0.00 O ATOM 768 CB ASP A 54 -16.225 -37.409 11.559 1.00 0.00 C ATOM 769 CG ASP A 54 -15.918 -38.808 11.063 1.00 0.00 C ATOM 770 OD1 ASP A 54 -14.721 -39.143 10.935 1.00 0.00 O ATOM 771 OD2 ASP A 54 -16.874 -39.568 10.802 1.00 0.00 O ATOM 0 H ASP A 54 -16.538 -37.694 9.105 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.327 -35.394 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.687 -37.231 12.490 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -17.288 -37.332 11.786 1.00 0.00 H new ATOM 776 N GLY A 55 -13.919 -34.869 10.720 1.00 0.00 N ATOM 777 CA GLY A 55 -12.502 -34.554 10.739 1.00 0.00 C ATOM 778 C GLY A 55 -12.001 -34.059 9.397 1.00 0.00 C ATOM 779 O GLY A 55 -10.800 -34.081 9.129 1.00 0.00 O ATOM 0 H GLY A 55 -14.537 -34.068 10.849 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.312 -33.794 11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.939 -35.441 11.029 1.00 0.00 H new ATOM 783 N ALA A 56 -12.923 -33.613 8.550 1.00 0.00 N ATOM 784 CA ALA A 56 -12.567 -33.110 7.229 1.00 0.00 C ATOM 785 C ALA A 56 -12.148 -31.645 7.294 1.00 0.00 C ATOM 786 O ALA A 56 -11.292 -31.200 6.529 1.00 0.00 O ATOM 787 CB ALA A 56 -13.733 -33.285 6.267 1.00 0.00 C ATOM 0 H ALA A 56 -13.922 -33.590 8.755 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.718 -33.688 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.454 -32.905 5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.985 -34.343 6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.596 -32.733 6.638 1.00 0.00 H new ATOM 793 N ALA A 57 -12.756 -30.900 8.211 1.00 0.00 N ATOM 794 CA ALA A 57 -12.444 -29.486 8.376 1.00 0.00 C ATOM 795 C ALA A 57 -10.965 -29.283 8.689 1.00 0.00 C ATOM 796 O ALA A 57 -10.466 -29.755 9.711 1.00 0.00 O ATOM 797 CB ALA A 57 -13.306 -28.880 9.474 1.00 0.00 C ATOM 0 H ALA A 57 -13.468 -31.252 8.851 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.662 -28.979 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.062 -27.824 9.586 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.358 -28.984 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.116 -29.398 10.414 1.00 0.00 H new ATOM 803 N VAL A 58 -10.269 -28.578 7.804 1.00 0.00 N ATOM 804 CA VAL A 58 -8.847 -28.312 7.986 1.00 0.00 C ATOM 805 C VAL A 58 -8.603 -26.852 8.352 1.00 0.00 C ATOM 806 O VAL A 58 -7.667 -26.533 9.084 1.00 0.00 O ATOM 807 CB VAL A 58 -8.045 -28.652 6.716 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.328 -30.079 6.272 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.365 -27.666 5.603 1.00 0.00 C ATOM 0 H VAL A 58 -10.667 -28.180 6.953 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.508 -28.950 8.802 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.983 -28.572 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.753 -30.301 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.043 -30.770 7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.391 -30.190 6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.789 -27.922 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.429 -27.711 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.106 -26.657 5.925 1.00 0.00 H new ATOM 819 N GLY A 59 -9.453 -25.969 7.837 1.00 0.00 N ATOM 820 CA GLY A 59 -9.313 -24.552 8.120 1.00 0.00 C ATOM 821 C GLY A 59 -10.619 -23.799 7.968 1.00 0.00 C ATOM 822 O GLY A 59 -11.628 -24.370 7.552 1.00 0.00 O ATOM 0 H GLY A 59 -10.236 -26.209 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.939 -24.423 9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.569 -24.122 7.449 1.00 0.00 H new ATOM 826 N ILE A 60 -10.602 -22.514 8.307 1.00 0.00 N ATOM 827 CA ILE A 60 -11.795 -21.682 8.206 1.00 0.00 C ATOM 828 C ILE A 60 -11.630 -20.613 7.132 1.00 0.00 C ATOM 829 O ILE A 60 -10.740 -19.766 7.214 1.00 0.00 O ATOM 830 CB ILE A 60 -12.121 -21.000 9.548 1.00 0.00 C ATOM 831 CG1 ILE A 60 -11.974 -21.996 10.701 1.00 0.00 C ATOM 832 CG2 ILE A 60 -13.526 -20.418 9.519 1.00 0.00 C ATOM 833 CD1 ILE A 60 -13.232 -22.790 10.976 1.00 0.00 C ATOM 0 H ILE A 60 -9.776 -22.027 8.654 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.618 -22.343 7.934 1.00 0.00 H new ATOM 0 HB ILE A 60 -11.415 -20.185 9.705 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -11.161 -22.686 10.474 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.690 -21.455 11.604 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.741 -19.940 10.474 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.598 -19.681 8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.247 -21.216 9.342 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -13.056 -23.476 11.805 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -14.043 -22.109 11.235 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.505 -23.358 10.087 1.00 0.00 H new ATOM 845 N LEU A 61 -12.495 -20.657 6.124 1.00 0.00 N ATOM 846 CA LEU A 61 -12.448 -19.690 5.033 1.00 0.00 C ATOM 847 C LEU A 61 -12.728 -18.280 5.542 1.00 0.00 C ATOM 848 O LEU A 61 -13.771 -18.022 6.141 1.00 0.00 O ATOM 849 CB LEU A 61 -13.460 -20.065 3.949 1.00 0.00 C ATOM 850 CG LEU A 61 -13.081 -19.688 2.517 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.316 -19.646 1.631 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.358 -18.349 2.491 1.00 0.00 C ATOM 0 H LEU A 61 -13.237 -21.352 6.040 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.445 -19.709 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.622 -21.142 3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.411 -19.590 4.189 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.406 -20.450 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.026 -19.376 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.792 -20.626 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.016 -18.905 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.096 -18.097 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.009 -17.576 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.451 -18.414 3.091 1.00 0.00 H new ATOM 864 N ALA A 62 -11.790 -17.371 5.296 1.00 0.00 N ATOM 865 CA ALA A 62 -11.939 -15.986 5.726 1.00 0.00 C ATOM 866 C ALA A 62 -12.895 -15.227 4.812 1.00 0.00 C ATOM 867 O ALA A 62 -13.793 -14.527 5.281 1.00 0.00 O ATOM 868 CB ALA A 62 -10.583 -15.296 5.762 1.00 0.00 C ATOM 0 H ALA A 62 -10.920 -17.569 4.802 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.362 -15.987 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.709 -14.263 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.928 -15.817 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.139 -15.314 4.767 1.00 0.00 H new ATOM 874 N VAL A 63 -12.697 -15.369 3.506 1.00 0.00 N ATOM 875 CA VAL A 63 -13.542 -14.698 2.526 1.00 0.00 C ATOM 876 C VAL A 63 -14.211 -15.703 1.596 1.00 0.00 C ATOM 877 O VAL A 63 -13.546 -16.552 1.003 1.00 0.00 O ATOM 878 CB VAL A 63 -12.735 -13.692 1.683 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.647 -12.953 0.716 1.00 0.00 C ATOM 880 CG2 VAL A 63 -11.995 -12.715 2.585 1.00 0.00 C ATOM 0 H VAL A 63 -11.958 -15.944 3.102 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.308 -14.160 3.085 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.997 -14.242 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.059 -12.247 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.126 -13.669 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.410 -12.413 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.430 -12.012 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.713 -12.169 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.311 -13.264 3.232 1.00 0.00 H new ATOM 890 N ALA A 64 -15.530 -15.601 1.472 1.00 0.00 N ATOM 891 CA ALA A 64 -16.289 -16.500 0.611 1.00 0.00 C ATOM 892 C ALA A 64 -15.568 -16.730 -0.713 1.00 0.00 C ATOM 893 O ALA A 64 -14.924 -15.826 -1.245 1.00 0.00 O ATOM 894 CB ALA A 64 -17.683 -15.943 0.366 1.00 0.00 C ATOM 0 H ALA A 64 -16.096 -14.904 1.957 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.378 -17.461 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.239 -16.624 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.205 -15.836 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.606 -14.969 -0.117 1.00 0.00 H new ATOM 900 N ALA A 65 -15.682 -17.945 -1.240 1.00 0.00 N ATOM 901 CA ALA A 65 -15.042 -18.292 -2.503 1.00 0.00 C ATOM 902 C ALA A 65 -15.934 -19.206 -3.337 1.00 0.00 C ATOM 903 O ALA A 65 -16.928 -19.739 -2.842 1.00 0.00 O ATOM 904 CB ALA A 65 -13.697 -18.955 -2.248 1.00 0.00 C ATOM 0 H ALA A 65 -16.211 -18.705 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.881 -17.372 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.230 -19.209 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.052 -18.269 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.844 -19.863 -1.663 1.00 0.00 H new ATOM 910 N ASP A 66 -15.574 -19.382 -4.603 1.00 0.00 N ATOM 911 CA ASP A 66 -16.342 -20.231 -5.506 1.00 0.00 C ATOM 912 C ASP A 66 -15.418 -21.115 -6.338 1.00 0.00 C ATOM 913 O ASP A 66 -14.195 -21.030 -6.225 1.00 0.00 O ATOM 914 CB ASP A 66 -17.215 -19.377 -6.425 1.00 0.00 C ATOM 915 CG ASP A 66 -16.587 -18.032 -6.735 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.353 -17.908 -6.597 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.331 -17.103 -7.115 1.00 0.00 O ATOM 0 H ASP A 66 -14.755 -18.948 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.984 -20.873 -4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.392 -19.915 -7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.187 -19.222 -5.957 1.00 0.00 H new ATOM 922 N GLN A 67 -16.011 -21.962 -7.173 1.00 0.00 N ATOM 923 CA GLN A 67 -15.240 -22.862 -8.022 1.00 0.00 C ATOM 924 C GLN A 67 -14.326 -22.078 -8.958 1.00 0.00 C ATOM 925 O GLN A 67 -13.301 -22.587 -9.414 1.00 0.00 O ATOM 926 CB GLN A 67 -16.177 -23.756 -8.837 1.00 0.00 C ATOM 927 CG GLN A 67 -16.782 -23.061 -10.046 1.00 0.00 C ATOM 928 CD GLN A 67 -17.591 -21.835 -9.670 1.00 0.00 C ATOM 929 OE1 GLN A 67 -18.338 -21.846 -8.691 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.446 -20.768 -10.448 1.00 0.00 N ATOM 0 H GLN A 67 -17.022 -22.044 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.621 -23.487 -7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.627 -24.635 -9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.981 -24.110 -8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.985 -22.770 -10.730 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.421 -23.763 -10.582 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.816 -20.803 -11.249 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.965 -19.914 -10.244 1.00 0.00 H new ATOM 939 N THR A 68 -14.702 -20.835 -9.241 1.00 0.00 N ATOM 940 CA THR A 68 -13.917 -19.980 -10.123 1.00 0.00 C ATOM 941 C THR A 68 -12.760 -19.332 -9.373 1.00 0.00 C ATOM 942 O THR A 68 -11.943 -18.625 -9.964 1.00 0.00 O ATOM 943 CB THR A 68 -14.786 -18.877 -10.756 1.00 0.00 C ATOM 944 OG1 THR A 68 -14.048 -18.197 -11.777 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.245 -17.879 -9.704 1.00 0.00 C ATOM 0 H THR A 68 -15.546 -20.397 -8.872 1.00 0.00 H new ATOM 0 HA THR A 68 -13.522 -20.619 -10.913 1.00 0.00 H new ATOM 0 HB THR A 68 -15.666 -19.346 -11.196 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.117 -18.089 -11.491 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.857 -17.110 -10.175 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.832 -18.395 -8.944 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.375 -17.416 -9.238 1.00 0.00 H new ATOM 953 N SER A 69 -12.694 -19.577 -8.068 1.00 0.00 N ATOM 954 CA SER A 69 -11.637 -19.013 -7.237 1.00 0.00 C ATOM 955 C SER A 69 -10.314 -19.733 -7.478 1.00 0.00 C ATOM 956 O SER A 69 -10.192 -20.934 -7.231 1.00 0.00 O ATOM 957 CB SER A 69 -12.019 -19.105 -5.758 1.00 0.00 C ATOM 958 OG SER A 69 -13.160 -18.313 -5.475 1.00 0.00 O ATOM 0 H SER A 69 -13.360 -20.162 -7.564 1.00 0.00 H new ATOM 0 HA SER A 69 -11.515 -17.965 -7.509 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.219 -20.144 -5.495 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.182 -18.776 -5.142 1.00 0.00 H new ATOM 0 HG SER A 69 -13.683 -18.189 -6.294 1.00 0.00 H new ATOM 964 N THR A 70 -9.323 -18.991 -7.963 1.00 0.00 N ATOM 965 CA THR A 70 -8.009 -19.557 -8.239 1.00 0.00 C ATOM 966 C THR A 70 -7.120 -19.511 -7.002 1.00 0.00 C ATOM 967 O THR A 70 -6.027 -20.080 -6.988 1.00 0.00 O ATOM 968 CB THR A 70 -7.307 -18.812 -9.390 1.00 0.00 C ATOM 969 OG1 THR A 70 -5.987 -19.334 -9.579 1.00 0.00 O ATOM 970 CG2 THR A 70 -7.231 -17.320 -9.102 1.00 0.00 C ATOM 0 H THR A 70 -9.406 -17.996 -8.173 1.00 0.00 H new ATOM 0 HA THR A 70 -8.167 -20.595 -8.531 1.00 0.00 H new ATOM 0 HB THR A 70 -7.890 -18.962 -10.299 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.721 -19.846 -8.787 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.731 -16.815 -9.929 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.238 -16.920 -8.988 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.669 -17.155 -8.183 1.00 0.00 H new ATOM 978 N THR A 71 -7.594 -18.831 -5.963 1.00 0.00 N ATOM 979 CA THR A 71 -6.841 -18.711 -4.720 1.00 0.00 C ATOM 980 C THR A 71 -7.773 -18.510 -3.530 1.00 0.00 C ATOM 981 O THR A 71 -8.616 -17.613 -3.534 1.00 0.00 O ATOM 982 CB THR A 71 -5.843 -17.539 -4.780 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.988 -17.681 -5.919 1.00 0.00 O ATOM 984 CG2 THR A 71 -5.003 -17.479 -3.513 1.00 0.00 C ATOM 0 H THR A 71 -8.496 -18.355 -5.957 1.00 0.00 H new ATOM 0 HA THR A 71 -6.289 -19.642 -4.592 1.00 0.00 H new ATOM 0 HB THR A 71 -6.410 -16.612 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.358 -16.931 -5.951 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.306 -16.644 -3.578 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.655 -17.341 -2.650 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.446 -18.409 -3.402 1.00 0.00 H new ATOM 992 N LEU A 72 -7.614 -19.350 -2.514 1.00 0.00 N ATOM 993 CA LEU A 72 -8.441 -19.265 -1.315 1.00 0.00 C ATOM 994 C LEU A 72 -7.671 -18.622 -0.166 1.00 0.00 C ATOM 995 O LEU A 72 -6.441 -18.676 -0.121 1.00 0.00 O ATOM 996 CB LEU A 72 -8.924 -20.657 -0.904 1.00 0.00 C ATOM 997 CG LEU A 72 -9.894 -21.343 -1.866 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.351 -22.679 -1.302 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.089 -20.444 -2.149 1.00 0.00 C ATOM 0 H LEU A 72 -6.920 -20.098 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.305 -18.640 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.052 -21.300 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.405 -20.579 0.071 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.373 -21.528 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.041 -23.152 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.486 -23.325 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.854 -22.518 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.769 -20.948 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.610 -20.227 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.745 -19.512 -2.598 1.00 0.00 H new ATOM 1011 N THR A 73 -8.402 -18.014 0.763 1.00 0.00 N ATOM 1012 CA THR A 73 -7.788 -17.361 1.912 1.00 0.00 C ATOM 1013 C THR A 73 -8.483 -17.762 3.208 1.00 0.00 C ATOM 1014 O THR A 73 -9.451 -17.127 3.628 1.00 0.00 O ATOM 1015 CB THR A 73 -7.828 -15.827 1.775 1.00 0.00 C ATOM 1016 OG1 THR A 73 -7.470 -15.445 0.442 1.00 0.00 O ATOM 1017 CG2 THR A 73 -6.881 -15.170 2.768 1.00 0.00 C ATOM 0 H THR A 73 -9.420 -17.960 0.742 1.00 0.00 H new ATOM 0 HA THR A 73 -6.749 -17.688 1.943 1.00 0.00 H new ATOM 0 HB THR A 73 -8.843 -15.491 1.989 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.499 -14.469 0.362 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.927 -14.087 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.174 -15.439 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.863 -15.512 2.581 1.00 0.00 H new ATOM 1025 N PHE A 74 -7.983 -18.819 3.840 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.557 -19.305 5.090 1.00 0.00 C ATOM 1027 C PHE A 74 -7.552 -19.188 6.231 1.00 0.00 C ATOM 1028 O PHE A 74 -6.352 -19.034 6.003 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.006 -20.760 4.937 1.00 0.00 C ATOM 1030 CG PHE A 74 -7.897 -21.691 4.537 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.469 -21.753 3.220 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.283 -22.503 5.476 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.449 -22.609 2.848 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.263 -23.360 5.110 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.846 -23.413 3.794 1.00 0.00 C ATOM 0 H PHE A 74 -7.182 -19.355 3.507 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.423 -18.688 5.328 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.433 -21.101 5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.799 -20.811 4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.938 -21.126 2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.605 -22.466 6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.125 -22.648 1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.792 -23.988 5.852 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.049 -24.083 3.506 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.050 -19.262 7.460 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.198 -19.162 8.639 1.00 0.00 C ATOM 1047 C TYR A 75 -6.292 -20.383 8.761 1.00 0.00 C ATOM 1048 O TYR A 75 -6.308 -21.271 7.909 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.050 -19.016 9.900 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.416 -17.585 10.222 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -9.546 -16.994 9.670 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -7.631 -16.823 11.079 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -9.883 -15.687 9.961 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -7.961 -15.515 11.377 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.088 -14.951 10.815 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.421 -13.649 11.109 1.00 0.00 O ATOM 0 H TYR A 75 -9.041 -19.391 7.666 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.571 -18.277 8.529 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.964 -19.598 9.780 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.509 -19.443 10.745 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.172 -17.567 9.002 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.748 -17.261 11.520 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.764 -15.243 9.522 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.340 -14.937 12.046 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.759 -13.273 11.726 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.502 -20.421 9.829 1.00 0.00 N ATOM 1067 CA LYS A 76 -4.590 -21.533 10.068 1.00 0.00 C ATOM 1068 C LYS A 76 -4.888 -22.204 11.405 1.00 0.00 C ATOM 1069 O LYS A 76 -4.890 -23.431 11.509 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.140 -21.045 10.042 1.00 0.00 C ATOM 1071 CG LYS A 76 -2.809 -20.063 11.151 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.305 -20.775 12.395 1.00 0.00 C ATOM 1073 CE LYS A 76 -0.832 -21.134 12.274 1.00 0.00 C ATOM 1074 NZ LYS A 76 0.049 -20.001 12.671 1.00 0.00 N ATOM 0 H LYS A 76 -5.475 -19.693 10.543 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.735 -22.266 9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.475 -21.905 10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.941 -20.574 9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.053 -19.360 10.802 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.696 -19.480 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.455 -20.137 13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.889 -21.681 12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.616 -21.999 12.901 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.612 -21.423 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.045 -20.285 12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.139 -19.183 12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.143 -19.742 13.660 1.00 0.00 H new ATOM 1088 N SER A 77 -5.140 -21.391 12.426 1.00 0.00 N ATOM 1089 CA SER A 77 -5.436 -21.906 13.758 1.00 0.00 C ATOM 1090 C SER A 77 -6.068 -20.826 14.630 1.00 0.00 C ATOM 1091 O SER A 77 -6.203 -19.676 14.214 1.00 0.00 O ATOM 1092 CB SER A 77 -4.161 -22.432 14.421 1.00 0.00 C ATOM 1093 OG SER A 77 -4.422 -22.889 15.736 1.00 0.00 O ATOM 0 H SER A 77 -5.145 -20.373 12.356 1.00 0.00 H new ATOM 0 HA SER A 77 -6.147 -22.726 13.653 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.747 -23.245 13.825 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.410 -21.643 14.449 1.00 0.00 H new ATOM 0 HG SER A 77 -5.225 -23.450 15.734 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.454 -21.205 15.845 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.068 -20.258 16.758 1.00 0.00 C ATOM 1101 C GLY A 78 -8.475 -20.660 17.151 1.00 0.00 C ATOM 1102 O GLY A 78 -9.024 -21.629 16.623 1.00 0.00 O ATOM 0 H GLY A 78 -6.352 -22.151 16.213 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.454 -20.172 17.655 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.092 -19.273 16.293 1.00 0.00 H new ATOM 1106 N THR A 79 -9.063 -19.917 18.083 1.00 0.00 N ATOM 1107 CA THR A 79 -10.414 -20.203 18.550 1.00 0.00 C ATOM 1108 C THR A 79 -11.442 -19.354 17.810 1.00 0.00 C ATOM 1109 O THR A 79 -11.428 -18.126 17.899 1.00 0.00 O ATOM 1110 CB THR A 79 -10.551 -19.951 20.063 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.493 -20.611 20.767 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.894 -20.448 20.575 1.00 0.00 C ATOM 0 H THR A 79 -8.624 -19.112 18.530 1.00 0.00 H new ATOM 0 HA THR A 79 -10.602 -21.257 18.347 1.00 0.00 H new ATOM 0 HB THR A 79 -10.489 -18.877 20.237 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.586 -20.445 21.728 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.968 -20.259 21.646 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.697 -19.923 20.058 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.981 -21.518 20.389 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.334 -20.016 17.080 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.370 -19.322 16.325 1.00 0.00 C ATOM 1122 C PHE A 80 -14.739 -19.522 16.968 1.00 0.00 C ATOM 1123 O PHE A 80 -14.951 -20.476 17.716 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.396 -19.820 14.878 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.117 -19.566 14.133 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -10.923 -20.116 14.572 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -12.108 -18.776 12.995 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -9.744 -19.884 13.888 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -10.933 -18.542 12.307 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.749 -19.095 12.755 1.00 0.00 C ATOM 0 H PHE A 80 -12.360 -21.032 16.996 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.137 -18.257 16.332 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.603 -20.890 14.874 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.217 -19.335 14.350 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.913 -20.733 15.458 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.030 -18.338 12.642 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.820 -20.319 14.240 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.940 -17.927 11.419 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.829 -18.911 12.220 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.663 -18.614 16.672 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.011 -18.689 17.223 1.00 0.00 C ATOM 1142 C ARG A 81 -17.907 -19.563 16.350 1.00 0.00 C ATOM 1143 O ARG A 81 -17.918 -19.431 15.126 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.612 -17.288 17.348 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.336 -16.624 18.687 1.00 0.00 C ATOM 1146 CD ARG A 81 -15.993 -15.912 18.690 1.00 0.00 C ATOM 1147 NE ARG A 81 -14.910 -16.787 19.132 1.00 0.00 N ATOM 1148 CZ ARG A 81 -13.686 -16.356 19.414 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -13.390 -15.068 19.301 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -12.754 -17.213 19.811 1.00 0.00 N ATOM 0 H ARG A 81 -15.503 -17.818 16.054 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.948 -19.139 18.214 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.215 -16.659 16.551 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.690 -17.350 17.198 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.128 -15.909 18.910 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.353 -17.375 19.477 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.775 -15.544 17.687 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.046 -15.042 19.344 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.105 -17.784 19.229 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.103 -14.406 18.997 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.449 -14.740 19.518 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.977 -18.204 19.900 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.814 -16.880 20.027 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.657 -20.455 16.987 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.554 -21.352 16.269 1.00 0.00 C ATOM 1166 C TYR A 82 -20.820 -20.621 15.831 1.00 0.00 C ATOM 1167 O TYR A 82 -21.208 -20.676 14.665 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.922 -22.550 17.147 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.971 -23.450 16.534 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -22.291 -23.033 16.418 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.642 -24.718 16.071 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -23.253 -23.852 15.860 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.597 -25.544 15.510 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.901 -25.107 15.407 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.856 -25.925 14.849 1.00 0.00 O ATOM 0 H TYR A 82 -18.661 -20.576 18.000 1.00 0.00 H new ATOM 0 HA TYR A 82 -19.035 -21.708 15.379 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -19.024 -23.135 17.344 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -20.284 -22.187 18.109 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.570 -22.051 16.770 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.622 -25.064 16.151 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -24.275 -23.512 15.779 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.324 -26.526 15.154 1.00 0.00 H new ATOM 0 HH TYR A 82 -23.444 -26.773 14.580 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.458 -19.937 16.776 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.679 -19.195 16.488 1.00 0.00 C ATOM 1187 C GLU A 83 -22.551 -18.422 15.178 1.00 0.00 C ATOM 1188 O GLU A 83 -23.531 -18.232 14.458 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.999 -18.231 17.632 1.00 0.00 C ATOM 1190 CG GLU A 83 -21.965 -17.132 17.809 1.00 0.00 C ATOM 1191 CD GLU A 83 -22.330 -16.160 18.914 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -23.410 -15.540 18.826 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -21.536 -16.020 19.868 1.00 0.00 O ATOM 0 H GLU A 83 -21.149 -19.882 17.747 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.494 -19.912 16.388 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -23.973 -17.776 17.451 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -23.079 -18.796 18.561 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -20.997 -17.581 18.031 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -21.856 -16.586 16.872 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.335 -17.979 14.877 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.077 -17.227 13.654 1.00 0.00 C ATOM 1202 C ASP A 84 -20.742 -18.166 12.500 1.00 0.00 C ATOM 1203 O ASP A 84 -21.279 -18.031 11.400 1.00 0.00 O ATOM 1204 CB ASP A 84 -19.932 -16.237 13.872 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.357 -15.028 14.682 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -21.436 -14.469 14.393 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.612 -14.642 15.607 1.00 0.00 O ATOM 0 H ASP A 84 -20.513 -18.127 15.462 1.00 0.00 H new ATOM 0 HA ASP A 84 -21.981 -16.674 13.398 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.111 -16.742 14.382 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.552 -15.907 12.905 1.00 0.00 H new ATOM 1212 N VAL A 85 -19.850 -19.117 12.756 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.443 -20.078 11.739 1.00 0.00 C ATOM 1214 C VAL A 85 -20.647 -20.825 11.176 1.00 0.00 C ATOM 1215 O VAL A 85 -21.295 -21.602 11.879 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.437 -21.100 12.302 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.234 -22.246 11.322 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.114 -20.422 12.624 1.00 0.00 C ATOM 0 H VAL A 85 -19.395 -19.242 13.660 1.00 0.00 H new ATOM 0 HA VAL A 85 -18.965 -19.510 10.941 1.00 0.00 H new ATOM 0 HB VAL A 85 -18.843 -21.512 13.226 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.520 -22.958 11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.186 -22.747 11.146 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.850 -21.855 10.380 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.415 -21.158 13.021 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.701 -19.981 11.717 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.277 -19.640 13.366 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.942 -20.586 9.903 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.069 -21.236 9.243 1.00 0.00 C ATOM 1230 C LEU A 86 -21.699 -22.647 8.797 1.00 0.00 C ATOM 1231 O LEU A 86 -21.198 -22.847 7.691 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.525 -20.411 8.038 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.581 -19.341 8.318 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -23.565 -18.278 7.230 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.961 -19.970 8.432 1.00 0.00 C ATOM 0 H LEU A 86 -20.416 -19.947 9.307 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.888 -21.304 9.959 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.651 -19.926 7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.918 -21.093 7.284 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.343 -18.863 9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -24.323 -17.525 7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.583 -17.806 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.777 -18.741 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.699 -19.193 8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -25.209 -20.475 7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -24.965 -20.693 9.248 1.00 0.00 H new ATOM 1247 N TRP A 87 -21.952 -23.620 9.664 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.647 -25.014 9.359 1.00 0.00 C ATOM 1249 C TRP A 87 -22.681 -25.600 8.405 1.00 0.00 C ATOM 1250 O TRP A 87 -23.842 -25.190 8.381 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.595 -25.840 10.645 1.00 0.00 C ATOM 1252 CG TRP A 87 -20.772 -25.206 11.725 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.144 -24.175 12.541 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.438 -25.560 12.106 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.121 -23.867 13.405 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.064 -24.703 13.159 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.524 -26.519 11.660 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -17.815 -24.777 13.771 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.285 -26.591 12.268 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -16.940 -25.725 13.315 1.00 0.00 C ATOM 0 H TRP A 87 -22.367 -23.470 10.584 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.671 -25.049 8.874 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.610 -25.991 11.013 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.188 -26.826 10.419 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.101 -23.676 12.511 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.145 -23.135 14.115 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.781 -27.191 10.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.547 -24.110 14.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.570 -27.327 11.931 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -15.964 -25.808 13.771 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.254 -26.584 7.598 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.129 -27.248 6.628 1.00 0.00 C ATOM 1273 C PRO A 88 -24.181 -28.123 7.300 1.00 0.00 C ATOM 1274 O PRO A 88 -23.918 -28.745 8.329 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.162 -28.107 5.809 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.010 -28.355 6.721 1.00 0.00 C ATOM 1277 CD PRO A 88 -20.884 -27.123 7.573 1.00 0.00 C ATOM 0 HA PRO A 88 -23.695 -26.532 6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.629 -29.042 5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.845 -27.592 4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.182 -29.239 7.336 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.096 -28.533 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.528 -27.362 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.179 -26.410 7.146 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.372 -28.167 6.711 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.463 -28.967 7.254 1.00 0.00 C ATOM 1287 C GLU A 89 -26.106 -30.451 7.247 1.00 0.00 C ATOM 1288 O GLU A 89 -26.482 -31.195 8.152 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.744 -28.736 6.450 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.706 -29.343 5.058 1.00 0.00 C ATOM 1291 CD GLU A 89 -28.786 -28.787 4.150 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -29.906 -29.338 4.153 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -28.510 -27.800 3.436 1.00 0.00 O ATOM 0 H GLU A 89 -25.605 -27.658 5.858 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.629 -28.656 8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.588 -29.156 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -27.921 -27.664 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -26.729 -29.157 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.821 -30.424 5.134 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.377 -30.873 6.219 1.00 0.00 N ATOM 1301 CA ALA A 90 -24.967 -32.267 6.095 1.00 0.00 C ATOM 1302 C ALA A 90 -24.588 -32.851 7.451 1.00 0.00 C ATOM 1303 O ALA A 90 -24.727 -34.052 7.681 1.00 0.00 O ATOM 1304 CB ALA A 90 -23.805 -32.390 5.121 1.00 0.00 C ATOM 0 H ALA A 90 -25.058 -30.270 5.460 1.00 0.00 H new ATOM 0 HA ALA A 90 -25.813 -32.836 5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.509 -33.436 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.110 -32.020 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.962 -31.802 5.484 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.107 -31.994 8.346 1.00 0.00 N ATOM 1311 CA ALA A 91 -23.709 -32.426 9.680 1.00 0.00 C ATOM 1312 C ALA A 91 -24.927 -32.672 10.564 1.00 0.00 C ATOM 1313 O ALA A 91 -25.604 -31.732 10.981 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.793 -31.392 10.317 1.00 0.00 C ATOM 0 H ALA A 91 -23.984 -30.997 8.171 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.167 -33.367 9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.503 -31.727 11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -21.902 -31.268 9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.317 -30.439 10.393 1.00 0.00 H new ATOM 1320 N SER A 92 -25.201 -33.942 10.845 1.00 0.00 N ATOM 1321 CA SER A 92 -26.341 -34.312 11.676 1.00 0.00 C ATOM 1322 C SER A 92 -25.920 -34.479 13.133 1.00 0.00 C ATOM 1323 O SER A 92 -26.733 -34.337 14.046 1.00 0.00 O ATOM 1324 CB SER A 92 -26.972 -35.608 11.164 1.00 0.00 C ATOM 1325 OG SER A 92 -28.242 -35.825 11.755 1.00 0.00 O ATOM 0 H SER A 92 -24.649 -34.732 10.510 1.00 0.00 H new ATOM 0 HA SER A 92 -27.077 -33.510 11.618 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.075 -35.563 10.080 1.00 0.00 H new ATOM 0 HB3 SER A 92 -26.315 -36.449 11.387 1.00 0.00 H new ATOM 0 HG SER A 92 -28.625 -36.659 11.410 1.00 0.00 H new ATOM 1331 N ASP A 93 -24.643 -34.780 13.342 1.00 0.00 N ATOM 1332 CA ASP A 93 -24.111 -34.966 14.687 1.00 0.00 C ATOM 1333 C ASP A 93 -23.442 -33.690 15.188 1.00 0.00 C ATOM 1334 O ASP A 93 -22.454 -33.231 14.616 1.00 0.00 O ATOM 1335 CB ASP A 93 -23.112 -36.123 14.709 1.00 0.00 C ATOM 1336 CG ASP A 93 -22.289 -36.154 15.982 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -22.862 -35.907 17.064 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -21.073 -36.426 15.897 1.00 0.00 O ATOM 0 H ASP A 93 -23.957 -34.900 12.597 1.00 0.00 H new ATOM 0 HA ASP A 93 -24.943 -35.203 15.350 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -23.650 -37.065 14.605 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -22.445 -36.040 13.851 1.00 0.00 H new ATOM 1343 N GLU A 94 -23.988 -33.122 16.258 1.00 0.00 N ATOM 1344 CA GLU A 94 -23.444 -31.897 16.834 1.00 0.00 C ATOM 1345 C GLU A 94 -21.933 -32.007 17.017 1.00 0.00 C ATOM 1346 O GLU A 94 -21.193 -31.060 16.745 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.111 -31.599 18.178 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.077 -32.769 19.148 1.00 0.00 C ATOM 1349 CD GLU A 94 -25.239 -32.755 20.121 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -25.833 -31.675 20.321 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -25.555 -33.825 20.683 1.00 0.00 O ATOM 0 H GLU A 94 -24.806 -33.490 16.744 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.651 -31.078 16.145 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.617 -30.743 18.637 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.148 -31.313 18.004 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.090 -33.703 18.586 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -23.141 -32.746 19.706 1.00 0.00 H new ATOM 1358 N THR A 95 -21.481 -33.168 17.479 1.00 0.00 N ATOM 1359 CA THR A 95 -20.060 -33.402 17.700 1.00 0.00 C ATOM 1360 C THR A 95 -19.282 -33.339 16.391 1.00 0.00 C ATOM 1361 O THR A 95 -18.094 -33.016 16.376 1.00 0.00 O ATOM 1362 CB THR A 95 -19.812 -34.769 18.366 1.00 0.00 C ATOM 1363 OG1 THR A 95 -20.562 -34.864 19.582 1.00 0.00 O ATOM 1364 CG2 THR A 95 -18.333 -34.967 18.660 1.00 0.00 C ATOM 0 H THR A 95 -22.079 -33.962 17.708 1.00 0.00 H new ATOM 0 HA THR A 95 -19.710 -32.613 18.366 1.00 0.00 H new ATOM 0 HB THR A 95 -20.137 -35.549 17.677 1.00 0.00 H new ATOM 0 HG1 THR A 95 -20.401 -35.736 19.999 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.182 -35.939 19.130 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.768 -34.923 17.729 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.987 -34.182 19.332 1.00 0.00 H new ATOM 1372 N LYS A 96 -19.959 -33.650 15.290 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.333 -33.627 13.974 1.00 0.00 C ATOM 1374 C LYS A 96 -18.775 -32.243 13.661 1.00 0.00 C ATOM 1375 O LYS A 96 -17.629 -32.106 13.231 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.342 -34.037 12.899 1.00 0.00 C ATOM 1377 CG LYS A 96 -19.700 -34.431 11.580 1.00 0.00 C ATOM 1378 CD LYS A 96 -19.282 -35.892 11.578 1.00 0.00 C ATOM 1379 CE LYS A 96 -20.453 -36.806 11.252 1.00 0.00 C ATOM 1380 NZ LYS A 96 -20.055 -38.241 11.256 1.00 0.00 N ATOM 0 H LYS A 96 -20.942 -33.921 15.284 1.00 0.00 H new ATOM 0 HA LYS A 96 -18.508 -34.339 13.980 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -20.935 -34.874 13.269 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -21.031 -33.210 12.725 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -20.401 -34.251 10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -18.829 -33.802 11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -18.487 -36.043 10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.873 -36.156 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -21.250 -36.648 11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -20.857 -36.544 10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -20.881 -38.831 11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.312 -38.397 10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.693 -38.498 12.197 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.590 -31.217 13.881 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.178 -29.842 13.625 1.00 0.00 C ATOM 1396 C LYS A 97 -18.294 -29.320 14.753 1.00 0.00 C ATOM 1397 O LYS A 97 -17.163 -28.892 14.522 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.404 -28.941 13.465 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.648 -29.683 13.006 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.554 -30.029 14.176 1.00 0.00 C ATOM 1401 CE LYS A 97 -24.019 -30.027 13.766 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.909 -29.632 14.893 1.00 0.00 N ATOM 0 H LYS A 97 -20.541 -31.312 14.237 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.602 -29.828 12.700 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.613 -28.453 14.417 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.175 -28.154 12.747 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -22.195 -29.070 12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -21.357 -30.596 12.487 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.286 -31.010 14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.400 -29.311 14.982 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -24.162 -29.340 12.932 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -24.299 -31.019 13.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.380 -30.477 15.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.343 -29.182 15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -25.626 -28.961 14.550 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.817 -29.361 15.975 1.00 0.00 N ATOM 1417 CA ARG A 98 -18.075 -28.892 17.139 1.00 0.00 C ATOM 1418 C ARG A 98 -16.749 -29.636 17.274 1.00 0.00 C ATOM 1419 O ARG A 98 -15.820 -29.158 17.925 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.907 -29.076 18.409 1.00 0.00 C ATOM 1421 CG ARG A 98 -20.241 -28.347 18.374 1.00 0.00 C ATOM 1422 CD ARG A 98 -21.319 -29.123 19.115 1.00 0.00 C ATOM 1423 NE ARG A 98 -22.308 -28.238 19.725 1.00 0.00 N ATOM 1424 CZ ARG A 98 -23.277 -28.662 20.529 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -23.385 -29.951 20.820 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -24.139 -27.796 21.045 1.00 0.00 N ATOM 0 H ARG A 98 -19.751 -29.714 16.184 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.865 -27.831 17.002 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.088 -30.140 18.564 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.332 -28.722 19.265 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -20.129 -27.359 18.822 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -20.547 -28.195 17.339 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -21.818 -29.802 18.423 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -20.857 -29.738 19.887 1.00 0.00 H new ATOM 0 HE ARG A 98 -22.252 -27.240 19.523 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -22.723 -30.620 20.426 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -24.130 -30.274 21.438 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -24.058 -26.803 20.825 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -24.883 -28.123 21.662 1.00 0.00 H new ATOM 1440 N THR A 99 -16.669 -30.810 16.656 1.00 0.00 N ATOM 1441 CA THR A 99 -15.459 -31.621 16.708 1.00 0.00 C ATOM 1442 C THR A 99 -14.929 -31.908 15.308 1.00 0.00 C ATOM 1443 O THR A 99 -14.145 -32.836 15.110 1.00 0.00 O ATOM 1444 CB THR A 99 -15.709 -32.956 17.434 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.735 -32.793 18.420 1.00 0.00 O ATOM 1446 CG2 THR A 99 -14.436 -33.457 18.098 1.00 0.00 C ATOM 0 H THR A 99 -17.429 -31.221 16.113 1.00 0.00 H new ATOM 0 HA THR A 99 -14.717 -31.047 17.263 1.00 0.00 H new ATOM 0 HB THR A 99 -16.029 -33.691 16.696 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.593 -32.627 17.975 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.637 -34.401 18.604 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.666 -33.608 17.341 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.091 -32.722 18.825 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.361 -31.106 14.341 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.926 -31.272 12.959 1.00 0.00 C ATOM 1456 C ALA A 100 -13.443 -30.954 12.808 1.00 0.00 C ATOM 1457 O ALA A 100 -12.822 -31.302 11.803 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.754 -30.391 12.036 1.00 0.00 C ATOM 0 H ALA A 100 -16.012 -30.335 14.489 1.00 0.00 H new ATOM 0 HA ALA A 100 -15.077 -32.315 12.679 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.419 -30.525 11.008 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.805 -30.669 12.114 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.633 -29.347 12.324 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.879 -30.291 13.812 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.468 -29.924 13.790 1.00 0.00 C ATOM 1466 C PHE A 101 -10.675 -30.750 14.799 1.00 0.00 C ATOM 1467 O PHE A 101 -9.667 -30.293 15.336 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.302 -28.433 14.091 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.679 -27.544 12.941 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -10.763 -27.256 11.942 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -12.948 -26.995 12.860 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.107 -26.438 10.882 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.298 -26.177 11.802 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.376 -25.897 10.813 1.00 0.00 C ATOM 0 H PHE A 101 -13.378 -29.997 14.652 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.080 -30.131 12.793 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.914 -28.175 14.955 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.265 -28.239 14.365 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.769 -27.675 11.992 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.672 -27.208 13.632 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.384 -26.222 10.109 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.292 -25.757 11.749 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.647 -25.256 9.987 1.00 0.00 H new ATOM 1484 N ALA A 102 -11.140 -31.969 15.052 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.475 -32.860 15.995 1.00 0.00 C ATOM 1486 C ALA A 102 -9.140 -33.348 15.441 1.00 0.00 C ATOM 1487 O ALA A 102 -9.099 -34.121 14.485 1.00 0.00 O ATOM 1488 CB ALA A 102 -11.374 -34.041 16.329 1.00 0.00 C ATOM 0 H ALA A 102 -11.975 -32.362 14.617 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.276 -32.300 16.908 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.865 -34.698 17.034 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.300 -33.679 16.775 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.602 -34.594 15.418 1.00 0.00 H new ATOM 1494 N GLY A 103 -8.050 -32.890 16.049 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.728 -33.290 15.602 1.00 0.00 C ATOM 1496 C GLY A 103 -6.002 -32.178 14.871 1.00 0.00 C ATOM 1497 O GLY A 103 -5.005 -32.420 14.190 1.00 0.00 O ATOM 0 H GLY A 103 -8.059 -32.249 16.843 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.136 -33.602 16.462 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.816 -34.155 14.945 1.00 0.00 H new ATOM 1501 N THR A 104 -6.504 -30.955 15.009 1.00 0.00 N ATOM 1502 CA THR A 104 -5.899 -29.802 14.354 1.00 0.00 C ATOM 1503 C THR A 104 -5.635 -28.679 15.351 1.00 0.00 C ATOM 1504 O THR A 104 -6.134 -28.705 16.475 1.00 0.00 O ATOM 1505 CB THR A 104 -6.793 -29.267 13.220 1.00 0.00 C ATOM 1506 OG1 THR A 104 -7.922 -28.578 13.769 1.00 0.00 O ATOM 1507 CG2 THR A 104 -7.270 -30.401 12.326 1.00 0.00 C ATOM 0 H THR A 104 -7.328 -30.737 15.569 1.00 0.00 H new ATOM 0 HA THR A 104 -4.952 -30.139 13.932 1.00 0.00 H new ATOM 0 HB THR A 104 -6.203 -28.575 12.619 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.427 -29.187 14.348 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.900 -29.999 11.533 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.409 -30.904 11.886 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.844 -31.114 12.918 1.00 0.00 H new ATOM 1515 N ALA A 105 -4.848 -27.694 14.931 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.520 -26.560 15.786 1.00 0.00 C ATOM 1517 C ALA A 105 -5.720 -25.634 15.953 1.00 0.00 C ATOM 1518 O ALA A 105 -5.696 -24.713 16.770 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.335 -25.795 15.217 1.00 0.00 C ATOM 0 H ALA A 105 -4.426 -27.659 14.003 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.251 -26.944 16.770 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.101 -24.951 15.866 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.470 -26.456 15.156 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.583 -25.429 14.221 1.00 0.00 H new ATOM 1525 N ILE A 106 -6.767 -25.883 15.174 1.00 0.00 N ATOM 1526 CA ILE A 106 -7.976 -25.071 15.236 1.00 0.00 C ATOM 1527 C ILE A 106 -8.914 -25.565 16.332 1.00 0.00 C ATOM 1528 O ILE A 106 -8.926 -26.750 16.665 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.727 -25.076 13.892 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -7.905 -24.357 12.820 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.093 -24.423 14.046 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.287 -24.740 11.408 1.00 0.00 C ATOM 0 H ILE A 106 -6.803 -26.641 14.492 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.661 -24.052 15.463 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.873 -26.110 13.578 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.027 -23.281 12.941 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.849 -24.578 12.975 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.612 -24.434 13.087 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.679 -24.974 14.782 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.968 -23.393 14.379 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.664 -24.192 10.701 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.138 -25.811 11.269 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.335 -24.494 11.235 1.00 0.00 H new ATOM 1544 N SER A 107 -9.700 -24.648 16.888 1.00 0.00 N ATOM 1545 CA SER A 107 -10.641 -24.990 17.948 1.00 0.00 C ATOM 1546 C SER A 107 -11.896 -24.126 17.860 1.00 0.00 C ATOM 1547 O SER A 107 -11.834 -22.961 17.467 1.00 0.00 O ATOM 1548 CB SER A 107 -9.983 -24.816 19.318 1.00 0.00 C ATOM 1549 OG SER A 107 -8.803 -25.593 19.420 1.00 0.00 O ATOM 0 H SER A 107 -9.704 -23.663 16.622 1.00 0.00 H new ATOM 0 HA SER A 107 -10.930 -26.033 17.821 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.745 -23.765 19.479 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.683 -25.108 20.101 1.00 0.00 H new ATOM 0 HG SER A 107 -8.401 -25.463 20.304 1.00 0.00 H new ATOM 1555 N ILE A 108 -13.033 -24.707 18.229 1.00 0.00 N ATOM 1556 CA ILE A 108 -14.302 -23.991 18.192 1.00 0.00 C ATOM 1557 C ILE A 108 -14.985 -24.013 19.556 1.00 0.00 C ATOM 1558 O ILE A 108 -15.112 -25.066 20.181 1.00 0.00 O ATOM 1559 CB ILE A 108 -15.256 -24.590 17.143 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.421 -23.634 16.876 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.771 -25.944 17.607 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -16.127 -22.609 15.803 1.00 0.00 C ATOM 0 H ILE A 108 -13.101 -25.671 18.557 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.075 -22.961 17.918 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.706 -24.732 16.213 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -17.296 -24.214 16.583 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.676 -23.117 17.801 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -16.444 -26.355 16.855 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.931 -26.623 17.751 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -16.308 -25.826 18.548 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.996 -21.966 15.667 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.271 -22.004 16.102 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.902 -23.118 14.866 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.424 -22.844 20.011 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.098 -22.730 21.299 1.00 0.00 C ATOM 1576 C VAL A 109 -17.599 -22.539 21.119 1.00 0.00 C ATOM 1577 O VAL A 109 -18.367 -22.640 22.076 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.537 -21.555 22.122 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.055 -21.757 22.401 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -15.778 -20.237 21.402 1.00 0.00 C ATOM 0 H VAL A 109 -15.325 -21.963 19.507 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.916 -23.661 21.836 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.060 -21.521 23.078 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.677 -20.917 22.983 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -13.913 -22.681 22.962 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.512 -21.818 21.458 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.375 -19.418 21.998 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -15.283 -20.257 20.431 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.849 -20.090 21.260 1.00 0.00 H new