USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=26 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 82 TYR OH : rot -138:sc= 0.102 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -110:sc= -0.0555 (180deg=-0.409) USER MOD Single : A 20 THR OG1 : rot -24:sc= 0.165 USER MOD Single : A 22 THR OG1 : rot 46:sc= 0.627 USER MOD Single : A 28 SER OG : rot -24:sc= 0.599 USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= -0.0801 (180deg=-0.284) USER MOD Single : A 34 MET CE :methyl -131:sc= -0.0745 (180deg=-0.33) USER MOD Single : A 35 THR OG1 : rot -110:sc= 0.0727 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -0.0121 (180deg=-0.161) USER MOD Single : A 52 THR OG1 : rot -75:sc= 1.11 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -3.05! C(o=-3!,f=-10!) USER MOD Single : A 68 THR OG1 : rot -35:sc= 0.636 USER MOD Single : A 69 SER OG : rot 53:sc= 1.25 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0112 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+ -164:sc= -1.31 (180deg=-2.03!) USER MOD Single : A 77 SER OG : rot 180:sc= -1.07 USER MOD Single : A 79 THR OG1 : 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+ 168:sc= 0 (180deg=-0.0674) USER MOD Single : A 99 THR OG1 : rot 77:sc= -1.07 USER MOD Single : A 104 THR OG1 : rot -60:sc= 0.475 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.427 -16.916 7.948 1.00 0.00 N ATOM 283 CA THR A 20 -3.426 -17.611 7.146 1.00 0.00 C ATOM 284 C THR A 20 -2.770 -18.441 6.049 1.00 0.00 C ATOM 285 O THR A 20 -1.605 -18.232 5.712 1.00 0.00 O ATOM 286 CB THR A 20 -4.418 -16.622 6.504 1.00 0.00 C ATOM 287 OG1 THR A 20 -3.703 -15.577 5.836 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.341 -16.023 7.553 1.00 0.00 C ATOM 0 HA THR A 20 -3.970 -18.272 7.821 1.00 0.00 H new ATOM 0 HB THR A 20 -5.024 -17.167 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.811 -15.487 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.032 -15.328 7.076 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.905 -16.819 8.039 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.749 -15.491 8.298 1.00 0.00 H new ATOM 296 N ALA A 21 -3.526 -19.382 5.493 1.00 0.00 N ATOM 297 CA ALA A 21 -3.018 -20.242 4.431 1.00 0.00 C ATOM 298 C ALA A 21 -3.666 -19.902 3.093 1.00 0.00 C ATOM 299 O ALA A 21 -4.801 -19.427 3.043 1.00 0.00 O ATOM 300 CB ALA A 21 -3.254 -21.704 4.778 1.00 0.00 C ATOM 0 H ALA A 21 -4.493 -19.568 5.760 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.945 -20.071 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.870 -22.335 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.739 -21.945 5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.323 -21.881 4.899 1.00 0.00 H new ATOM 306 N THR A 22 -2.937 -20.147 2.009 1.00 0.00 N ATOM 307 CA THR A 22 -3.439 -19.865 0.670 1.00 0.00 C ATOM 308 C THR A 22 -3.453 -21.125 -0.188 1.00 0.00 C ATOM 309 O THR A 22 -2.402 -21.645 -0.561 1.00 0.00 O ATOM 310 CB THR A 22 -2.592 -18.788 -0.033 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.222 -19.200 -0.085 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.699 -17.456 0.694 1.00 0.00 C ATOM 0 H THR A 22 -1.996 -20.540 2.032 1.00 0.00 H new ATOM 0 HA THR A 22 -4.458 -19.496 0.786 1.00 0.00 H new ATOM 0 HB THR A 22 -2.972 -18.662 -1.047 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.173 -20.136 -0.371 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.092 -16.711 0.179 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.739 -17.131 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.342 -17.570 1.717 1.00 0.00 H new ATOM 320 N ALA A 23 -4.651 -21.610 -0.499 1.00 0.00 N ATOM 321 CA ALA A 23 -4.801 -22.808 -1.317 1.00 0.00 C ATOM 322 C ALA A 23 -5.008 -22.448 -2.784 1.00 0.00 C ATOM 323 O ALA A 23 -5.422 -21.340 -3.124 1.00 0.00 O ATOM 324 CB ALA A 23 -5.961 -23.651 -0.809 1.00 0.00 C ATOM 0 H ALA A 23 -5.531 -21.192 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.882 -23.389 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.062 -24.542 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.772 -23.946 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.882 -23.070 -0.857 1.00 0.00 H new ATOM 330 N PRO A 24 -4.713 -23.406 -3.676 1.00 0.00 N ATOM 331 CA PRO A 24 -4.859 -23.213 -5.122 1.00 0.00 C ATOM 332 C PRO A 24 -6.319 -23.127 -5.551 1.00 0.00 C ATOM 333 O PRO A 24 -6.623 -23.026 -6.739 1.00 0.00 O ATOM 334 CB PRO A 24 -4.200 -24.461 -5.714 1.00 0.00 C ATOM 335 CG PRO A 24 -4.313 -25.493 -4.646 1.00 0.00 C ATOM 336 CD PRO A 24 -4.214 -24.750 -3.341 1.00 0.00 C ATOM 0 HA PRO A 24 -4.410 -22.278 -5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.704 -24.779 -6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.158 -24.273 -5.974 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.259 -26.029 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.519 -26.235 -4.734 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.817 -25.220 -2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.188 -24.718 -2.973 1.00 0.00 H new ATOM 344 N GLY A 25 -7.222 -23.167 -4.575 1.00 0.00 N ATOM 345 CA GLY A 25 -8.640 -23.093 -4.872 1.00 0.00 C ATOM 346 C GLY A 25 -9.168 -24.365 -5.504 1.00 0.00 C ATOM 347 O GLY A 25 -8.804 -24.705 -6.629 1.00 0.00 O ATOM 0 H GLY A 25 -6.996 -23.249 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.190 -22.892 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.824 -22.254 -5.543 1.00 0.00 H new ATOM 351 N GLY A 26 -10.028 -25.073 -4.778 1.00 0.00 N ATOM 352 CA GLY A 26 -10.591 -26.308 -5.290 1.00 0.00 C ATOM 353 C GLY A 26 -12.099 -26.362 -5.145 1.00 0.00 C ATOM 354 O GLY A 26 -12.725 -27.373 -5.466 1.00 0.00 O ATOM 0 H GLY A 26 -10.345 -24.813 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.326 -26.416 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.148 -27.152 -4.762 1.00 0.00 H new ATOM 358 N LEU A 27 -12.684 -25.273 -4.660 1.00 0.00 N ATOM 359 CA LEU A 27 -14.129 -25.200 -4.471 1.00 0.00 C ATOM 360 C LEU A 27 -14.865 -25.776 -5.676 1.00 0.00 C ATOM 361 O LEU A 27 -14.361 -25.739 -6.799 1.00 0.00 O ATOM 362 CB LEU A 27 -14.560 -23.751 -4.240 1.00 0.00 C ATOM 363 CG LEU A 27 -14.616 -23.291 -2.783 1.00 0.00 C ATOM 364 CD1 LEU A 27 -15.965 -23.627 -2.168 1.00 0.00 C ATOM 365 CD2 LEU A 27 -13.489 -23.925 -1.980 1.00 0.00 C ATOM 0 H LEU A 27 -12.180 -24.428 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.387 -25.793 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.874 -23.099 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.547 -23.612 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.489 -22.209 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.986 -23.292 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.755 -23.125 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.123 -24.705 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.544 -23.586 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.585 -25.010 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.529 -23.633 -2.407 1.00 0.00 H new ATOM 377 N SER A 28 -16.060 -26.305 -5.436 1.00 0.00 N ATOM 378 CA SER A 28 -16.866 -26.890 -6.502 1.00 0.00 C ATOM 379 C SER A 28 -18.100 -26.038 -6.779 1.00 0.00 C ATOM 380 O SER A 28 -18.858 -26.309 -7.710 1.00 0.00 O ATOM 381 CB SER A 28 -17.287 -28.312 -6.129 1.00 0.00 C ATOM 382 OG SER A 28 -18.109 -28.881 -7.134 1.00 0.00 O ATOM 0 H SER A 28 -16.492 -26.341 -4.513 1.00 0.00 H new ATOM 0 HA SER A 28 -16.259 -26.924 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.401 -28.931 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.824 -28.299 -5.180 1.00 0.00 H new ATOM 0 HG SER A 28 -18.541 -28.166 -7.647 1.00 0.00 H new ATOM 388 N ALA A 29 -18.295 -25.006 -5.964 1.00 0.00 N ATOM 389 CA ALA A 29 -19.436 -24.112 -6.122 1.00 0.00 C ATOM 390 C ALA A 29 -19.282 -22.867 -5.256 1.00 0.00 C ATOM 391 O ALA A 29 -18.253 -22.672 -4.608 1.00 0.00 O ATOM 392 CB ALA A 29 -20.728 -24.840 -5.780 1.00 0.00 C ATOM 0 H ALA A 29 -17.678 -24.768 -5.188 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.476 -23.794 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.572 -24.161 -5.902 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.851 -25.695 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.688 -25.187 -4.747 1.00 0.00 H new ATOM 398 N LYS A 30 -20.311 -22.026 -5.248 1.00 0.00 N ATOM 399 CA LYS A 30 -20.291 -20.799 -4.461 1.00 0.00 C ATOM 400 C LYS A 30 -20.466 -21.103 -2.976 1.00 0.00 C ATOM 401 O LYS A 30 -21.446 -21.727 -2.572 1.00 0.00 O ATOM 402 CB LYS A 30 -21.395 -19.849 -4.932 1.00 0.00 C ATOM 403 CG LYS A 30 -22.761 -20.505 -5.028 1.00 0.00 C ATOM 404 CD LYS A 30 -23.052 -20.982 -6.441 1.00 0.00 C ATOM 405 CE LYS A 30 -23.819 -19.936 -7.236 1.00 0.00 C ATOM 406 NZ LYS A 30 -22.929 -18.845 -7.720 1.00 0.00 N ATOM 0 H LYS A 30 -21.170 -22.172 -5.778 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.322 -20.320 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -21.454 -19.005 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.125 -19.447 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.809 -21.350 -4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.529 -19.797 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -22.115 -21.212 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.629 -21.906 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.306 -20.412 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.607 -19.513 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -23.437 -18.267 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.644 -18.248 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -22.083 -19.258 -8.162 1.00 0.00 H new ATOM 420 N ALA A 31 -19.510 -20.655 -2.169 1.00 0.00 N ATOM 421 CA ALA A 31 -19.561 -20.876 -0.729 1.00 0.00 C ATOM 422 C ALA A 31 -19.111 -19.634 0.033 1.00 0.00 C ATOM 423 O ALA A 31 -18.006 -19.125 -0.157 1.00 0.00 O ATOM 424 CB ALA A 31 -18.700 -22.071 -0.348 1.00 0.00 C ATOM 0 H ALA A 31 -18.691 -20.137 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.595 -21.084 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.747 -22.225 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.068 -22.962 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.667 -21.884 -0.643 1.00 0.00 H new ATOM 430 N PRO A 32 -19.987 -19.131 0.916 1.00 0.00 N ATOM 431 CA PRO A 32 -19.702 -17.942 1.724 1.00 0.00 C ATOM 432 C PRO A 32 -18.634 -18.202 2.782 1.00 0.00 C ATOM 433 O PRO A 32 -18.408 -19.344 3.181 1.00 0.00 O ATOM 434 CB PRO A 32 -21.047 -17.633 2.387 1.00 0.00 C ATOM 435 CG PRO A 32 -21.760 -18.940 2.424 1.00 0.00 C ATOM 436 CD PRO A 32 -21.322 -19.686 1.194 1.00 0.00 C ATOM 0 HA PRO A 32 -19.311 -17.123 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -20.910 -17.228 3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.608 -16.892 1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.509 -19.496 3.327 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.840 -18.795 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.282 -20.761 1.369 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -22.006 -19.524 0.361 1.00 0.00 H new ATOM 444 N ALA A 33 -17.982 -17.135 3.232 1.00 0.00 N ATOM 445 CA ALA A 33 -16.941 -17.249 4.246 1.00 0.00 C ATOM 446 C ALA A 33 -17.514 -17.744 5.569 1.00 0.00 C ATOM 447 O ALA A 33 -18.693 -18.084 5.657 1.00 0.00 O ATOM 448 CB ALA A 33 -16.244 -15.910 4.439 1.00 0.00 C ATOM 0 H ALA A 33 -18.156 -16.183 2.911 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.211 -17.981 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.469 -16.009 5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.792 -15.596 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.972 -15.164 4.758 1.00 0.00 H new ATOM 454 N MET A 34 -16.671 -17.783 6.596 1.00 0.00 N ATOM 455 CA MET A 34 -17.095 -18.237 7.915 1.00 0.00 C ATOM 456 C MET A 34 -17.570 -19.686 7.865 1.00 0.00 C ATOM 457 O MET A 34 -18.659 -20.011 8.340 1.00 0.00 O ATOM 458 CB MET A 34 -18.212 -17.341 8.452 1.00 0.00 C ATOM 459 CG MET A 34 -17.768 -15.913 8.725 1.00 0.00 C ATOM 460 SD MET A 34 -16.259 -15.832 9.709 1.00 0.00 S ATOM 461 CE MET A 34 -16.821 -16.551 11.250 1.00 0.00 C ATOM 0 H MET A 34 -15.691 -17.506 6.540 1.00 0.00 H new ATOM 0 HA MET A 34 -16.237 -18.177 8.585 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.032 -17.327 7.734 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.602 -17.774 9.373 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.607 -15.399 7.777 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.565 -15.382 9.245 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.524 -15.910 12.080 1.00 0.00 H new ATOM 0 HE2 MET A 34 -17.907 -16.643 11.234 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.375 -17.538 11.375 1.00 0.00 H new ATOM 471 N THR A 35 -16.746 -20.555 7.286 1.00 0.00 N ATOM 472 CA THR A 35 -17.083 -21.968 7.172 1.00 0.00 C ATOM 473 C THR A 35 -15.830 -22.820 7.005 1.00 0.00 C ATOM 474 O THR A 35 -14.867 -22.428 6.345 1.00 0.00 O ATOM 475 CB THR A 35 -18.028 -22.227 5.984 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.351 -21.958 4.751 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.273 -21.358 6.084 1.00 0.00 C ATOM 0 H THR A 35 -15.841 -20.304 6.889 1.00 0.00 H new ATOM 0 HA THR A 35 -17.589 -22.247 8.096 1.00 0.00 H new ATOM 0 HB THR A 35 -18.331 -23.274 6.011 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.730 -21.154 4.338 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.926 -21.558 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.802 -21.585 7.009 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.984 -20.307 6.080 1.00 0.00 H new ATOM 485 N PRO A 36 -15.839 -24.014 7.615 1.00 0.00 N ATOM 486 CA PRO A 36 -14.711 -24.947 7.547 1.00 0.00 C ATOM 487 C PRO A 36 -14.540 -25.549 6.156 1.00 0.00 C ATOM 488 O PRO A 36 -15.513 -25.732 5.424 1.00 0.00 O ATOM 489 CB PRO A 36 -15.086 -26.033 8.557 1.00 0.00 C ATOM 490 CG PRO A 36 -16.574 -25.986 8.629 1.00 0.00 C ATOM 491 CD PRO A 36 -16.953 -24.546 8.418 1.00 0.00 C ATOM 0 HA PRO A 36 -13.762 -24.455 7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.736 -27.013 8.233 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.636 -25.840 9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.022 -26.623 7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.930 -26.346 9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -17.905 -24.454 7.895 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.056 -24.015 9.364 1.00 0.00 H new ATOM 499 N LEU A 37 -13.298 -25.856 5.798 1.00 0.00 N ATOM 500 CA LEU A 37 -12.999 -26.439 4.495 1.00 0.00 C ATOM 501 C LEU A 37 -12.237 -27.752 4.647 1.00 0.00 C ATOM 502 O LEU A 37 -11.789 -28.098 5.740 1.00 0.00 O ATOM 503 CB LEU A 37 -12.184 -25.458 3.650 1.00 0.00 C ATOM 504 CG LEU A 37 -12.692 -24.016 3.620 1.00 0.00 C ATOM 505 CD1 LEU A 37 -11.687 -23.111 2.924 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.047 -23.941 2.932 1.00 0.00 C ATOM 0 H LEU A 37 -12.482 -25.711 6.392 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.944 -26.645 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.159 -25.454 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.150 -25.832 2.627 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.810 -23.671 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.065 -22.089 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.738 -23.141 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.536 -23.454 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.392 -22.907 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.956 -24.305 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.765 -24.557 3.474 1.00 0.00 H new ATOM 518 N MET A 38 -12.092 -28.477 3.543 1.00 0.00 N ATOM 519 CA MET A 38 -11.381 -29.750 3.553 1.00 0.00 C ATOM 520 C MET A 38 -10.481 -29.880 2.328 1.00 0.00 C ATOM 521 O MET A 38 -10.918 -29.661 1.198 1.00 0.00 O ATOM 522 CB MET A 38 -12.374 -30.913 3.596 1.00 0.00 C ATOM 523 CG MET A 38 -13.080 -31.159 2.273 1.00 0.00 C ATOM 524 SD MET A 38 -14.354 -32.429 2.391 1.00 0.00 S ATOM 525 CE MET A 38 -13.399 -33.902 2.034 1.00 0.00 C ATOM 0 H MET A 38 -12.457 -28.205 2.630 1.00 0.00 H new ATOM 0 HA MET A 38 -10.757 -29.782 4.446 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.846 -31.820 3.891 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.120 -30.714 4.365 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.531 -30.229 1.928 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.346 -31.455 1.523 1.00 0.00 H new ATOM 0 HE1 MET A 38 -14.050 -34.775 2.070 1.00 0.00 H new ATOM 0 HE2 MET A 38 -12.958 -33.818 1.041 1.00 0.00 H new ATOM 0 HE3 MET A 38 -12.606 -34.010 2.774 1.00 0.00 H new ATOM 535 N LEU A 39 -9.223 -30.238 2.560 1.00 0.00 N ATOM 536 CA LEU A 39 -8.261 -30.397 1.475 1.00 0.00 C ATOM 537 C LEU A 39 -8.539 -31.670 0.682 1.00 0.00 C ATOM 538 O LEU A 39 -8.751 -32.737 1.258 1.00 0.00 O ATOM 539 CB LEU A 39 -6.836 -30.430 2.031 1.00 0.00 C ATOM 540 CG LEU A 39 -6.133 -29.078 2.156 1.00 0.00 C ATOM 541 CD1 LEU A 39 -4.937 -29.182 3.090 1.00 0.00 C ATOM 542 CD2 LEU A 39 -5.700 -28.574 0.787 1.00 0.00 C ATOM 0 H LEU A 39 -8.845 -30.424 3.489 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.363 -29.544 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.862 -30.896 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.232 -31.073 1.391 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.837 -28.362 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.449 -28.210 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.273 -29.498 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.230 -29.912 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.201 -27.611 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.013 -29.290 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.575 -28.460 0.148 1.00 0.00 H new ATOM 626 N LYS A 45 -6.039 -29.738 -4.176 1.00 0.00 N ATOM 627 CA LYS A 45 -6.806 -28.498 -4.128 1.00 0.00 C ATOM 628 C LYS A 45 -7.736 -28.480 -2.920 1.00 0.00 C ATOM 629 O LYS A 45 -8.312 -29.505 -2.551 1.00 0.00 O ATOM 630 CB LYS A 45 -7.618 -28.327 -5.414 1.00 0.00 C ATOM 631 CG LYS A 45 -6.779 -28.392 -6.677 1.00 0.00 C ATOM 632 CD LYS A 45 -5.859 -27.189 -6.798 1.00 0.00 C ATOM 633 CE LYS A 45 -5.510 -26.897 -8.249 1.00 0.00 C ATOM 634 NZ LYS A 45 -6.669 -26.333 -8.996 1.00 0.00 N ATOM 0 HA LYS A 45 -6.104 -27.669 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.383 -29.102 -5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.136 -27.369 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.185 -29.306 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.433 -28.440 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.340 -26.316 -6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.945 -27.370 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.677 -26.195 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.177 -27.815 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.331 -25.870 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.327 -27.099 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.160 -25.635 -8.401 1.00 0.00 H new ATOM 648 N LEU A 46 -7.881 -27.311 -2.307 1.00 0.00 N ATOM 649 CA LEU A 46 -8.743 -27.159 -1.141 1.00 0.00 C ATOM 650 C LEU A 46 -10.186 -26.894 -1.560 1.00 0.00 C ATOM 651 O LEU A 46 -10.458 -25.987 -2.347 1.00 0.00 O ATOM 652 CB LEU A 46 -8.240 -26.018 -0.255 1.00 0.00 C ATOM 653 CG LEU A 46 -8.519 -26.157 1.242 1.00 0.00 C ATOM 654 CD1 LEU A 46 -8.010 -24.939 1.996 1.00 0.00 C ATOM 655 CD2 LEU A 46 -10.007 -26.357 1.491 1.00 0.00 C ATOM 0 H LEU A 46 -7.412 -26.453 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.714 -28.090 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.163 -25.923 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.691 -25.089 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.988 -27.035 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.218 -25.056 3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.935 -24.841 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.512 -24.045 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.187 -26.454 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.559 -25.499 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.343 -27.261 0.983 1.00 0.00 H new ATOM 667 N VAL A 47 -11.107 -27.691 -1.029 1.00 0.00 N ATOM 668 CA VAL A 47 -12.522 -27.541 -1.345 1.00 0.00 C ATOM 669 C VAL A 47 -13.364 -27.457 -0.077 1.00 0.00 C ATOM 670 O VAL A 47 -12.959 -27.936 0.982 1.00 0.00 O ATOM 671 CB VAL A 47 -13.031 -28.711 -2.209 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.034 -29.035 -3.310 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.300 -29.933 -1.344 1.00 0.00 C ATOM 0 H VAL A 47 -10.898 -28.448 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.623 -26.612 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.969 -28.413 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.411 -29.864 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -11.897 -28.160 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.079 -29.314 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.659 -30.750 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.379 -30.235 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.055 -29.690 -0.596 1.00 0.00 H new ATOM 683 N ALA A 48 -14.537 -26.844 -0.191 1.00 0.00 N ATOM 684 CA ALA A 48 -15.437 -26.698 0.946 1.00 0.00 C ATOM 685 C ALA A 48 -15.623 -28.026 1.672 1.00 0.00 C ATOM 686 O ALA A 48 -15.501 -29.095 1.073 1.00 0.00 O ATOM 687 CB ALA A 48 -16.781 -26.152 0.489 1.00 0.00 C ATOM 0 H ALA A 48 -14.887 -26.440 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.989 -25.991 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.443 -26.048 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.638 -25.178 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.227 -26.838 -0.231 1.00 0.00 H new ATOM 693 N TRP A 49 -15.919 -27.952 2.965 1.00 0.00 N ATOM 694 CA TRP A 49 -16.122 -29.150 3.772 1.00 0.00 C ATOM 695 C TRP A 49 -17.370 -29.902 3.326 1.00 0.00 C ATOM 696 O TRP A 49 -18.370 -29.294 2.943 1.00 0.00 O ATOM 697 CB TRP A 49 -16.236 -28.779 5.252 1.00 0.00 C ATOM 698 CG TRP A 49 -16.378 -29.968 6.153 1.00 0.00 C ATOM 699 CD1 TRP A 49 -15.754 -31.175 6.021 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.196 -30.063 7.324 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.135 -32.016 7.039 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.019 -31.357 7.852 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.060 -29.181 7.979 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -17.675 -31.787 9.002 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.710 -29.610 9.120 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.515 -30.903 9.623 1.00 0.00 C ATOM 0 H TRP A 49 -16.024 -27.076 3.477 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.260 -29.802 3.633 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.352 -28.213 5.546 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.096 -28.123 5.390 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.062 -31.431 5.232 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.812 -32.975 7.168 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.217 -28.182 7.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -17.526 -32.784 9.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.380 -28.937 9.633 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.037 -31.208 10.518 1.00 0.00 H new ATOM 717 N ASP A 50 -17.307 -31.228 3.378 1.00 0.00 N ATOM 718 CA ASP A 50 -18.433 -32.064 2.980 1.00 0.00 C ATOM 719 C ASP A 50 -19.559 -31.983 4.007 1.00 0.00 C ATOM 720 O ASP A 50 -20.733 -31.888 3.650 1.00 0.00 O ATOM 721 CB ASP A 50 -17.984 -33.516 2.811 1.00 0.00 C ATOM 722 CG ASP A 50 -19.073 -34.395 2.228 1.00 0.00 C ATOM 723 OD1 ASP A 50 -20.074 -34.645 2.931 1.00 0.00 O ATOM 724 OD2 ASP A 50 -18.924 -34.834 1.068 1.00 0.00 O ATOM 0 H ASP A 50 -16.487 -31.747 3.692 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.808 -31.695 2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.108 -33.549 2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.679 -33.914 3.779 1.00 0.00 H new ATOM 729 N GLY A 51 -19.193 -32.022 5.284 1.00 0.00 N ATOM 730 CA GLY A 51 -20.183 -31.953 6.342 1.00 0.00 C ATOM 731 C GLY A 51 -20.421 -33.297 7.002 1.00 0.00 C ATOM 732 O GLY A 51 -20.952 -33.368 8.111 1.00 0.00 O ATOM 0 H GLY A 51 -18.228 -32.100 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -19.857 -31.235 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.122 -31.581 5.933 1.00 0.00 H new ATOM 736 N THR A 52 -20.029 -34.368 6.319 1.00 0.00 N ATOM 737 CA THR A 52 -20.205 -35.716 6.843 1.00 0.00 C ATOM 738 C THR A 52 -18.885 -36.286 7.348 1.00 0.00 C ATOM 739 O THR A 52 -18.837 -36.945 8.388 1.00 0.00 O ATOM 740 CB THR A 52 -20.786 -36.663 5.776 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.077 -36.504 4.542 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.265 -36.388 5.555 1.00 0.00 C ATOM 0 H THR A 52 -19.587 -34.327 5.401 1.00 0.00 H new ATOM 0 HA THR A 52 -20.907 -35.643 7.673 1.00 0.00 H new ATOM 0 HB THR A 52 -20.673 -37.687 6.131 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.352 -35.668 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 52 -22.652 -37.069 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 52 -22.807 -36.538 6.489 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.398 -35.359 5.220 1.00 0.00 H new ATOM 750 N THR A 53 -17.812 -36.029 6.606 1.00 0.00 N ATOM 751 CA THR A 53 -16.490 -36.517 6.979 1.00 0.00 C ATOM 752 C THR A 53 -16.008 -35.868 8.271 1.00 0.00 C ATOM 753 O THR A 53 -15.727 -34.670 8.307 1.00 0.00 O ATOM 754 CB THR A 53 -15.459 -36.249 5.867 1.00 0.00 C ATOM 755 OG1 THR A 53 -15.842 -36.932 4.668 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.072 -36.704 6.294 1.00 0.00 C ATOM 0 H THR A 53 -17.833 -35.486 5.743 1.00 0.00 H new ATOM 0 HA THR A 53 -16.581 -37.593 7.129 1.00 0.00 H new ATOM 0 HB THR A 53 -15.431 -35.176 5.680 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.182 -36.755 3.966 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.361 -36.505 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.771 -36.161 7.190 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.089 -37.773 6.506 1.00 0.00 H new ATOM 764 N ASP A 54 -15.915 -36.665 9.329 1.00 0.00 N ATOM 765 CA ASP A 54 -15.464 -36.167 10.624 1.00 0.00 C ATOM 766 C ASP A 54 -13.958 -35.924 10.619 1.00 0.00 C ATOM 767 O ASP A 54 -13.205 -36.643 9.963 1.00 0.00 O ATOM 768 CB ASP A 54 -15.830 -37.158 11.730 1.00 0.00 C ATOM 769 CG ASP A 54 -15.743 -36.541 13.112 1.00 0.00 C ATOM 770 OD1 ASP A 54 -16.169 -35.378 13.271 1.00 0.00 O ATOM 771 OD2 ASP A 54 -15.250 -37.222 14.035 1.00 0.00 O ATOM 0 H ASP A 54 -16.146 -37.658 9.316 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.965 -35.218 10.816 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.842 -37.527 11.563 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.164 -38.019 11.677 1.00 0.00 H new ATOM 776 N GLY A 55 -13.526 -34.905 11.354 1.00 0.00 N ATOM 777 CA GLY A 55 -12.112 -34.584 11.420 1.00 0.00 C ATOM 778 C GLY A 55 -11.533 -34.238 10.063 1.00 0.00 C ATOM 779 O GLY A 55 -10.335 -34.402 9.831 1.00 0.00 O ATOM 0 H GLY A 55 -14.130 -34.295 11.905 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.964 -33.745 12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.569 -35.432 11.838 1.00 0.00 H new ATOM 783 N ALA A 56 -12.385 -33.758 9.162 1.00 0.00 N ATOM 784 CA ALA A 56 -11.950 -33.387 7.821 1.00 0.00 C ATOM 785 C ALA A 56 -11.646 -31.895 7.736 1.00 0.00 C ATOM 786 O ALA A 56 -10.782 -31.471 6.968 1.00 0.00 O ATOM 787 CB ALA A 56 -13.010 -33.771 6.799 1.00 0.00 C ATOM 0 H ALA A 56 -13.380 -33.617 9.337 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.032 -33.931 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.673 -33.489 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.176 -34.848 6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.941 -33.252 7.028 1.00 0.00 H new ATOM 793 N ALA A 57 -12.361 -31.103 8.528 1.00 0.00 N ATOM 794 CA ALA A 57 -12.166 -29.659 8.542 1.00 0.00 C ATOM 795 C ALA A 57 -10.738 -29.302 8.942 1.00 0.00 C ATOM 796 O ALA A 57 -10.327 -29.525 10.081 1.00 0.00 O ATOM 797 CB ALA A 57 -13.161 -29.001 9.487 1.00 0.00 C ATOM 0 H ALA A 57 -13.081 -31.438 9.169 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.338 -29.284 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.004 -27.922 9.487 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.176 -29.220 9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.017 -29.389 10.495 1.00 0.00 H new ATOM 803 N VAL A 58 -9.986 -28.746 7.998 1.00 0.00 N ATOM 804 CA VAL A 58 -8.603 -28.358 8.252 1.00 0.00 C ATOM 805 C VAL A 58 -8.508 -26.886 8.639 1.00 0.00 C ATOM 806 O VAL A 58 -7.702 -26.508 9.487 1.00 0.00 O ATOM 807 CB VAL A 58 -7.714 -28.612 7.021 1.00 0.00 C ATOM 808 CG1 VAL A 58 -7.838 -30.056 6.561 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.074 -27.653 5.896 1.00 0.00 C ATOM 0 H VAL A 58 -10.311 -28.554 7.050 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.248 -28.972 9.080 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.676 -28.433 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.202 -30.216 5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.526 -30.722 7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.875 -30.266 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.436 -27.847 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.117 -27.797 5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.928 -26.627 6.232 1.00 0.00 H new ATOM 819 N GLY A 59 -9.339 -26.060 8.011 1.00 0.00 N ATOM 820 CA GLY A 59 -9.333 -24.638 8.303 1.00 0.00 C ATOM 821 C GLY A 59 -10.680 -23.989 8.052 1.00 0.00 C ATOM 822 O GLY A 59 -11.607 -24.637 7.566 1.00 0.00 O ATOM 0 H GLY A 59 -10.016 -26.350 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.048 -24.485 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.577 -24.147 7.690 1.00 0.00 H new ATOM 826 N ILE A 60 -10.789 -22.708 8.386 1.00 0.00 N ATOM 827 CA ILE A 60 -12.032 -21.972 8.195 1.00 0.00 C ATOM 828 C ILE A 60 -11.845 -20.823 7.210 1.00 0.00 C ATOM 829 O ILE A 60 -11.022 -19.932 7.428 1.00 0.00 O ATOM 830 CB ILE A 60 -12.565 -21.410 9.526 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.714 -22.533 10.555 1.00 0.00 C ATOM 832 CG2 ILE A 60 -13.894 -20.703 9.309 1.00 0.00 C ATOM 833 CD1 ILE A 60 -13.322 -22.077 11.863 1.00 0.00 C ATOM 0 H ILE A 60 -10.031 -22.158 8.790 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.758 -22.679 7.792 1.00 0.00 H new ATOM 0 HB ILE A 60 -11.849 -20.684 9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.334 -23.323 10.131 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.734 -22.968 10.751 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.257 -20.312 10.259 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.758 -19.881 8.606 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.620 -21.409 8.906 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -13.398 -22.925 12.544 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -12.691 -21.308 12.309 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -14.316 -21.669 11.680 1.00 0.00 H new ATOM 845 N LEU A 61 -12.613 -20.848 6.127 1.00 0.00 N ATOM 846 CA LEU A 61 -12.534 -19.807 5.108 1.00 0.00 C ATOM 847 C LEU A 61 -12.898 -18.445 5.691 1.00 0.00 C ATOM 848 O LEU A 61 -14.005 -18.250 6.192 1.00 0.00 O ATOM 849 CB LEU A 61 -13.463 -20.138 3.939 1.00 0.00 C ATOM 850 CG LEU A 61 -13.009 -19.651 2.562 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.210 -19.371 1.672 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.140 -18.409 2.696 1.00 0.00 C ATOM 0 H LEU A 61 -13.298 -21.578 5.931 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.506 -19.765 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.589 -21.220 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.444 -19.711 4.148 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.414 -20.437 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.867 -19.026 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.793 -20.284 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.832 -18.603 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.826 -18.076 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.710 -17.617 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.261 -18.643 3.296 1.00 0.00 H new ATOM 864 N ALA A 62 -11.960 -17.507 5.621 1.00 0.00 N ATOM 865 CA ALA A 62 -12.184 -16.163 6.138 1.00 0.00 C ATOM 866 C ALA A 62 -13.059 -15.349 5.191 1.00 0.00 C ATOM 867 O ALA A 62 -14.004 -14.686 5.618 1.00 0.00 O ATOM 868 CB ALA A 62 -10.855 -15.458 6.369 1.00 0.00 C ATOM 0 H ALA A 62 -11.037 -17.653 5.211 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.707 -16.249 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.037 -14.455 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.264 -16.023 7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.310 -15.391 5.427 1.00 0.00 H new ATOM 874 N VAL A 63 -12.737 -15.403 3.902 1.00 0.00 N ATOM 875 CA VAL A 63 -13.494 -14.671 2.894 1.00 0.00 C ATOM 876 C VAL A 63 -14.339 -15.616 2.047 1.00 0.00 C ATOM 877 O VAL A 63 -14.008 -16.791 1.893 1.00 0.00 O ATOM 878 CB VAL A 63 -12.563 -13.864 1.969 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.371 -13.112 0.922 1.00 0.00 C ATOM 880 CG2 VAL A 63 -11.705 -12.906 2.781 1.00 0.00 C ATOM 0 H VAL A 63 -11.957 -15.946 3.532 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.149 -13.983 3.428 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.901 -14.559 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.696 -12.548 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.938 -13.823 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.059 -12.426 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.054 -12.344 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.348 -12.215 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.098 -13.471 3.488 1.00 0.00 H new ATOM 890 N ALA A 64 -15.432 -15.094 1.500 1.00 0.00 N ATOM 891 CA ALA A 64 -16.324 -15.891 0.667 1.00 0.00 C ATOM 892 C ALA A 64 -15.649 -16.278 -0.645 1.00 0.00 C ATOM 893 O ALA A 64 -15.073 -15.433 -1.330 1.00 0.00 O ATOM 894 CB ALA A 64 -17.613 -15.130 0.395 1.00 0.00 C ATOM 0 H ALA A 64 -15.721 -14.123 1.619 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.563 -16.807 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.269 -15.737 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.111 -14.909 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.383 -14.198 -0.121 1.00 0.00 H new ATOM 900 N ALA A 65 -15.725 -17.559 -0.989 1.00 0.00 N ATOM 901 CA ALA A 65 -15.123 -18.057 -2.220 1.00 0.00 C ATOM 902 C ALA A 65 -16.141 -18.819 -3.060 1.00 0.00 C ATOM 903 O ALA A 65 -17.300 -18.963 -2.669 1.00 0.00 O ATOM 904 CB ALA A 65 -13.929 -18.945 -1.901 1.00 0.00 C ATOM 0 H ALA A 65 -16.198 -18.271 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.781 -17.200 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.489 -19.310 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.186 -18.371 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.256 -19.791 -1.297 1.00 0.00 H new ATOM 910 N ASP A 66 -15.703 -19.303 -4.217 1.00 0.00 N ATOM 911 CA ASP A 66 -16.577 -20.050 -5.114 1.00 0.00 C ATOM 912 C ASP A 66 -15.767 -20.970 -6.022 1.00 0.00 C ATOM 913 O ASP A 66 -14.536 -20.956 -5.995 1.00 0.00 O ATOM 914 CB ASP A 66 -17.418 -19.091 -5.958 1.00 0.00 C ATOM 915 CG ASP A 66 -16.658 -17.836 -6.337 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.412 -17.889 -6.386 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.310 -16.799 -6.585 1.00 0.00 O ATOM 0 H ASP A 66 -14.747 -19.191 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.241 -20.664 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.746 -19.601 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.315 -18.816 -5.404 1.00 0.00 H new ATOM 922 N GLN A 67 -16.465 -21.768 -6.823 1.00 0.00 N ATOM 923 CA GLN A 67 -15.809 -22.694 -7.738 1.00 0.00 C ATOM 924 C GLN A 67 -14.926 -21.946 -8.731 1.00 0.00 C ATOM 925 O GLN A 67 -14.100 -22.546 -9.419 1.00 0.00 O ATOM 926 CB GLN A 67 -16.851 -23.525 -8.489 1.00 0.00 C ATOM 927 CG GLN A 67 -17.577 -22.751 -9.577 1.00 0.00 C ATOM 928 CD GLN A 67 -18.080 -21.404 -9.098 1.00 0.00 C ATOM 929 OE1 GLN A 67 -18.680 -21.297 -8.029 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.837 -20.365 -9.890 1.00 0.00 N ATOM 0 H GLN A 67 -17.484 -21.792 -6.857 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.178 -23.360 -7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.361 -24.390 -8.936 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.582 -23.906 -7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -16.905 -22.604 -10.423 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.419 -23.342 -9.938 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.336 -20.499 -10.768 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.152 -19.433 -9.620 1.00 0.00 H new ATOM 939 N THR A 68 -15.105 -20.631 -8.800 1.00 0.00 N ATOM 940 CA THR A 68 -14.326 -19.800 -9.710 1.00 0.00 C ATOM 941 C THR A 68 -13.118 -19.195 -9.004 1.00 0.00 C ATOM 942 O THR A 68 -12.321 -18.485 -9.617 1.00 0.00 O ATOM 943 CB THR A 68 -15.181 -18.665 -10.305 1.00 0.00 C ATOM 944 OG1 THR A 68 -14.446 -17.983 -11.328 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.593 -17.675 -9.226 1.00 0.00 C ATOM 0 H THR A 68 -15.783 -20.118 -8.236 1.00 0.00 H new ATOM 0 HA THR A 68 -13.984 -20.449 -10.517 1.00 0.00 H new ATOM 0 HB THR A 68 -16.081 -19.105 -10.735 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.498 -17.949 -11.082 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.196 -16.883 -9.670 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.176 -18.190 -8.463 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.703 -17.241 -8.771 1.00 0.00 H new ATOM 953 N SER A 69 -12.988 -19.482 -7.713 1.00 0.00 N ATOM 954 CA SER A 69 -11.878 -18.963 -6.923 1.00 0.00 C ATOM 955 C SER A 69 -10.607 -19.767 -7.179 1.00 0.00 C ATOM 956 O SER A 69 -10.596 -20.992 -7.052 1.00 0.00 O ATOM 957 CB SER A 69 -12.225 -18.997 -5.433 1.00 0.00 C ATOM 958 OG SER A 69 -13.043 -17.897 -5.075 1.00 0.00 O ATOM 0 H SER A 69 -13.638 -20.071 -7.192 1.00 0.00 H new ATOM 0 HA SER A 69 -11.701 -17.930 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.739 -19.929 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.309 -18.980 -4.843 1.00 0.00 H new ATOM 0 HG SER A 69 -13.825 -17.866 -5.664 1.00 0.00 H new ATOM 964 N THR A 70 -9.535 -19.069 -7.540 1.00 0.00 N ATOM 965 CA THR A 70 -8.258 -19.715 -7.816 1.00 0.00 C ATOM 966 C THR A 70 -7.355 -19.694 -6.588 1.00 0.00 C ATOM 967 O THR A 70 -6.322 -20.364 -6.552 1.00 0.00 O ATOM 968 CB THR A 70 -7.527 -19.037 -8.990 1.00 0.00 C ATOM 969 OG1 THR A 70 -8.457 -18.728 -10.034 1.00 0.00 O ATOM 970 CG2 THR A 70 -6.427 -19.937 -9.534 1.00 0.00 C ATOM 0 H THR A 70 -9.526 -18.055 -7.648 1.00 0.00 H new ATOM 0 HA THR A 70 -8.478 -20.748 -8.084 1.00 0.00 H new ATOM 0 HB THR A 70 -7.074 -18.116 -8.624 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.984 -18.296 -10.776 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.925 -19.437 -10.362 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.705 -20.147 -8.745 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.863 -20.872 -9.885 1.00 0.00 H new ATOM 978 N THR A 71 -7.749 -18.919 -5.582 1.00 0.00 N ATOM 979 CA THR A 71 -6.975 -18.810 -4.352 1.00 0.00 C ATOM 980 C THR A 71 -7.885 -18.619 -3.145 1.00 0.00 C ATOM 981 O THR A 71 -8.680 -17.679 -3.096 1.00 0.00 O ATOM 982 CB THR A 71 -5.976 -17.639 -4.420 1.00 0.00 C ATOM 983 OG1 THR A 71 -5.210 -17.718 -5.626 1.00 0.00 O ATOM 984 CG2 THR A 71 -5.043 -17.654 -3.218 1.00 0.00 C ATOM 0 H THR A 71 -8.600 -18.357 -5.595 1.00 0.00 H new ATOM 0 HA THR A 71 -6.422 -19.743 -4.242 1.00 0.00 H new ATOM 0 HB THR A 71 -6.541 -16.707 -4.410 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.579 -16.969 -5.662 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.347 -16.818 -3.288 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.628 -17.564 -2.302 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.485 -18.590 -3.202 1.00 0.00 H new ATOM 992 N LEU A 72 -7.763 -19.513 -2.170 1.00 0.00 N ATOM 993 CA LEU A 72 -8.575 -19.442 -0.960 1.00 0.00 C ATOM 994 C LEU A 72 -7.743 -18.967 0.227 1.00 0.00 C ATOM 995 O LEU A 72 -6.623 -19.433 0.440 1.00 0.00 O ATOM 996 CB LEU A 72 -9.189 -20.809 -0.653 1.00 0.00 C ATOM 997 CG LEU A 72 -10.068 -21.412 -1.750 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.421 -22.854 -1.419 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.330 -20.582 -1.938 1.00 0.00 C ATOM 0 H LEU A 72 -7.109 -20.296 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.375 -18.722 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.381 -21.508 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.785 -20.721 0.255 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.507 -21.402 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.047 -23.266 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.507 -23.442 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.963 -22.888 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.944 -21.025 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.893 -20.560 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.058 -19.565 -2.221 1.00 0.00 H new ATOM 1011 N THR A 73 -8.299 -18.039 0.999 1.00 0.00 N ATOM 1012 CA THR A 73 -7.609 -17.502 2.165 1.00 0.00 C ATOM 1013 C THR A 73 -8.340 -17.867 3.452 1.00 0.00 C ATOM 1014 O THR A 73 -9.200 -17.122 3.923 1.00 0.00 O ATOM 1015 CB THR A 73 -7.474 -15.970 2.082 1.00 0.00 C ATOM 1016 OG1 THR A 73 -6.741 -15.606 0.908 1.00 0.00 O ATOM 1017 CG2 THR A 73 -6.773 -15.421 3.315 1.00 0.00 C ATOM 0 H THR A 73 -9.225 -17.644 0.838 1.00 0.00 H new ATOM 0 HA THR A 73 -6.614 -17.947 2.176 1.00 0.00 H new ATOM 0 HB THR A 73 -8.475 -15.541 2.032 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.661 -14.630 0.862 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.689 -14.337 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.350 -15.675 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.777 -15.857 3.392 1.00 0.00 H new ATOM 1025 N PHE A 74 -7.992 -19.018 4.019 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.615 -19.482 5.253 1.00 0.00 C ATOM 1027 C PHE A 74 -7.657 -19.341 6.432 1.00 0.00 C ATOM 1028 O PHE A 74 -6.451 -19.178 6.250 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.054 -20.941 5.110 1.00 0.00 C ATOM 1030 CG PHE A 74 -7.939 -21.867 4.716 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.484 -21.908 3.408 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.347 -22.697 5.654 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.458 -22.759 3.043 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.320 -23.549 5.295 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.876 -23.582 3.987 1.00 0.00 C ATOM 0 H PHE A 74 -7.282 -19.646 3.643 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.492 -18.863 5.443 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.479 -21.278 6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.847 -21.002 4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.936 -21.268 2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.692 -22.678 6.677 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.112 -22.780 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.865 -24.189 6.036 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.076 -24.250 3.704 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.204 -19.405 7.641 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.400 -19.282 8.851 1.00 0.00 C ATOM 1047 C TYR A 75 -6.583 -20.547 9.093 1.00 0.00 C ATOM 1048 O TYR A 75 -6.866 -21.603 8.526 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.297 -19.002 10.058 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.592 -17.534 10.266 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.657 -16.695 10.861 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.805 -16.986 9.869 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -7.922 -15.353 11.054 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -10.078 -15.645 10.057 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.134 -14.833 10.650 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.403 -13.496 10.839 1.00 0.00 O ATOM 0 H TYR A 75 -9.201 -19.541 7.809 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.712 -18.447 8.716 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.237 -19.539 9.933 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.820 -19.399 10.954 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.707 -17.099 11.178 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.547 -17.619 9.406 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.185 -14.715 11.518 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.026 -15.235 9.741 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.299 -13.291 10.498 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.566 -20.434 9.941 1.00 0.00 N ATOM 1067 CA LYS A 76 -4.706 -21.567 10.262 1.00 0.00 C ATOM 1068 C LYS A 76 -5.031 -22.121 11.646 1.00 0.00 C ATOM 1069 O LYS A 76 -4.874 -23.315 11.899 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.235 -21.151 10.200 1.00 0.00 C ATOM 1071 CG LYS A 76 -2.824 -20.199 11.310 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.295 -20.949 12.520 1.00 0.00 C ATOM 1073 CE LYS A 76 -0.811 -21.254 12.382 1.00 0.00 C ATOM 1074 NZ LYS A 76 -0.551 -22.279 11.334 1.00 0.00 N ATOM 0 H LYS A 76 -5.317 -19.568 10.419 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.887 -22.349 9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.611 -22.044 10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.040 -20.679 9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.059 -19.517 10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.679 -19.590 11.603 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.464 -20.356 13.419 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.849 -21.880 12.643 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.273 -20.338 12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.422 -21.605 13.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.411 -22.657 11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.240 -23.053 11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.642 -21.845 10.393 1.00 0.00 H new ATOM 1088 N SER A 77 -5.485 -21.246 12.537 1.00 0.00 N ATOM 1089 CA SER A 77 -5.829 -21.648 13.896 1.00 0.00 C ATOM 1090 C SER A 77 -6.445 -20.485 14.667 1.00 0.00 C ATOM 1091 O SER A 77 -6.650 -19.402 14.120 1.00 0.00 O ATOM 1092 CB SER A 77 -4.588 -22.160 14.629 1.00 0.00 C ATOM 1093 OG SER A 77 -3.778 -21.085 15.072 1.00 0.00 O ATOM 0 H SER A 77 -5.623 -20.254 12.343 1.00 0.00 H new ATOM 0 HA SER A 77 -6.564 -22.451 13.836 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.890 -22.767 15.482 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.011 -22.805 13.967 1.00 0.00 H new ATOM 0 HG SER A 77 -2.992 -21.438 15.539 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.739 -20.718 15.943 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.329 -19.681 16.769 1.00 0.00 C ATOM 1101 C GLY A 78 -8.718 -20.046 17.255 1.00 0.00 C ATOM 1102 O GLY A 78 -9.309 -21.023 16.793 1.00 0.00 O ATOM 0 H GLY A 78 -6.579 -21.606 16.419 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.684 -19.495 17.628 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.379 -18.752 16.200 1.00 0.00 H new ATOM 1106 N THR A 79 -9.242 -19.261 18.191 1.00 0.00 N ATOM 1107 CA THR A 79 -10.568 -19.508 18.741 1.00 0.00 C ATOM 1108 C THR A 79 -11.653 -18.916 17.849 1.00 0.00 C ATOM 1109 O THR A 79 -11.714 -17.703 17.650 1.00 0.00 O ATOM 1110 CB THR A 79 -10.707 -18.920 20.158 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.637 -19.384 20.988 1.00 0.00 O ATOM 1112 CG2 THR A 79 -12.041 -19.310 20.777 1.00 0.00 C ATOM 0 H THR A 79 -8.767 -18.448 18.584 1.00 0.00 H new ATOM 0 HA THR A 79 -10.693 -20.590 18.790 1.00 0.00 H new ATOM 0 HB THR A 79 -10.663 -17.834 20.083 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.732 -19.004 21.886 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.117 -18.883 21.777 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.854 -18.930 20.158 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.109 -20.396 20.840 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.509 -19.780 17.313 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.592 -19.342 16.441 1.00 0.00 C ATOM 1122 C PHE A 80 -14.951 -19.679 17.049 1.00 0.00 C ATOM 1123 O PHE A 80 -15.096 -20.677 17.755 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.462 -19.995 15.063 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.224 -19.583 14.319 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -11.020 -20.233 14.537 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -12.265 -18.545 13.402 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -9.879 -19.857 13.853 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -11.127 -18.164 12.716 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.933 -18.820 12.942 1.00 0.00 C ATOM 0 H PHE A 80 -12.473 -20.788 17.467 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.521 -18.260 16.331 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.461 -21.079 15.182 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.337 -19.741 14.465 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.972 -21.043 15.250 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.196 -18.028 13.221 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.947 -20.373 14.031 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -11.172 -17.354 12.004 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.043 -18.523 12.407 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.942 -18.839 16.771 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.288 -19.045 17.291 1.00 0.00 C ATOM 1142 C ARG A 81 -18.043 -20.073 16.454 1.00 0.00 C ATOM 1143 O ARG A 81 -18.106 -19.965 15.229 1.00 0.00 O ATOM 1144 CB ARG A 81 -18.058 -17.724 17.313 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.725 -16.845 18.508 1.00 0.00 C ATOM 1146 CD ARG A 81 -16.517 -15.963 18.231 1.00 0.00 C ATOM 1147 NE ARG A 81 -16.834 -14.873 17.313 1.00 0.00 N ATOM 1148 CZ ARG A 81 -15.944 -13.976 16.903 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -14.690 -14.039 17.327 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -16.309 -13.013 16.066 1.00 0.00 N ATOM 0 H ARG A 81 -15.838 -18.009 16.188 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.202 -19.424 18.309 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.844 -17.173 16.397 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -19.127 -17.936 17.315 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.584 -16.221 18.753 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.528 -17.471 19.378 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.147 -15.550 19.169 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.714 -16.569 17.811 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.791 -14.796 16.968 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.406 -14.778 17.970 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.009 -13.349 17.010 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.273 -12.961 15.737 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.625 -12.324 15.751 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.615 -21.069 17.122 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.363 -22.117 16.439 1.00 0.00 C ATOM 1166 C TYR A 82 -20.747 -21.621 16.030 1.00 0.00 C ATOM 1167 O TYR A 82 -21.301 -22.056 15.022 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.495 -23.347 17.339 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.625 -24.270 16.941 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.949 -23.918 17.170 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.368 -25.493 16.334 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -22.984 -24.758 16.809 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.397 -26.339 15.968 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.703 -25.968 16.208 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.732 -26.807 15.846 1.00 0.00 O ATOM 0 H TYR A 82 -18.575 -21.172 18.136 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.815 -22.391 15.538 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.558 -23.904 17.319 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.649 -23.020 18.367 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.173 -22.971 17.638 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.346 -25.787 16.145 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -24.008 -24.469 16.996 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.180 -27.286 15.496 1.00 0.00 H new ATOM 0 HH TYR A 82 -23.499 -27.730 16.078 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.298 -20.706 16.822 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.617 -20.151 16.544 1.00 0.00 C ATOM 1187 C GLU A 83 -22.578 -19.248 15.314 1.00 0.00 C ATOM 1188 O GLU A 83 -23.577 -19.096 14.610 1.00 0.00 O ATOM 1189 CB GLU A 83 -23.129 -19.363 17.752 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.319 -18.112 18.050 1.00 0.00 C ATOM 1191 CD GLU A 83 -23.033 -17.167 18.997 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -23.852 -16.355 18.517 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -22.773 -17.239 20.216 1.00 0.00 O ATOM 0 H GLU A 83 -20.852 -20.334 17.660 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.297 -20.979 16.345 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -24.167 -19.081 17.577 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -23.118 -20.010 18.629 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -21.361 -18.399 18.483 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -22.104 -17.592 17.117 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.419 -18.652 15.061 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.248 -17.765 13.916 1.00 0.00 C ATOM 1202 C ASP A 84 -20.965 -18.563 12.648 1.00 0.00 C ATOM 1203 O ASP A 84 -21.628 -18.381 11.626 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.111 -16.775 14.175 1.00 0.00 C ATOM 1205 CG ASP A 84 -19.960 -15.761 13.058 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -20.248 -16.112 11.895 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.555 -14.616 13.348 1.00 0.00 O ATOM 0 H ASP A 84 -20.583 -18.767 15.634 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.176 -17.211 13.776 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.295 -16.252 15.114 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.176 -17.323 14.293 1.00 0.00 H new ATOM 1212 N VAL A 85 -19.975 -19.447 12.720 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.604 -20.274 11.577 1.00 0.00 C ATOM 1214 C VAL A 85 -20.831 -20.923 10.947 1.00 0.00 C ATOM 1215 O VAL A 85 -21.671 -21.496 11.642 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.606 -21.375 11.982 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.326 -22.300 10.808 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.317 -20.759 12.504 1.00 0.00 C ATOM 0 H VAL A 85 -19.415 -19.609 13.557 1.00 0.00 H new ATOM 0 HA VAL A 85 -19.131 -19.615 10.849 1.00 0.00 H new ATOM 0 HB VAL A 85 -19.050 -21.967 12.782 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.619 -23.071 11.113 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.256 -22.768 10.484 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.903 -21.725 9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.623 -21.551 12.786 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.867 -20.142 11.726 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.536 -20.141 13.375 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.929 -20.830 9.625 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.054 -21.408 8.899 1.00 0.00 C ATOM 1230 C LEU A 86 -21.748 -22.840 8.470 1.00 0.00 C ATOM 1231 O LEU A 86 -21.592 -23.122 7.282 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.387 -20.557 7.672 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.660 -20.938 6.915 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -24.891 -20.642 7.758 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -23.731 -20.201 5.586 1.00 0.00 C ATOM 0 H LEU A 86 -20.243 -20.360 9.035 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.915 -21.424 9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -22.474 -19.518 7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.547 -20.610 6.979 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.633 -22.009 6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -25.787 -20.919 7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -24.845 -21.216 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -24.924 -19.578 7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -24.643 -20.484 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -23.735 -19.126 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -22.866 -20.464 4.977 1.00 0.00 H new ATOM 1247 N TRP A 87 -21.665 -23.738 9.445 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.379 -25.141 9.168 1.00 0.00 C ATOM 1249 C TRP A 87 -22.375 -25.712 8.164 1.00 0.00 C ATOM 1250 O TRP A 87 -23.514 -25.257 8.057 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.418 -25.956 10.462 1.00 0.00 C ATOM 1252 CG TRP A 87 -20.715 -25.289 11.605 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.219 -24.319 12.424 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.379 -25.541 12.054 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.276 -23.953 13.355 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.139 -24.689 13.150 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.362 -26.405 11.638 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -17.925 -24.677 13.832 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.158 -26.392 12.316 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -16.948 -25.534 13.403 1.00 0.00 C ATOM 0 H TRP A 87 -21.792 -23.520 10.433 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.380 -25.204 8.737 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.457 -26.136 10.739 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -20.963 -26.930 10.283 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.212 -23.901 12.351 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.402 -23.248 14.081 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.515 -27.071 10.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.760 -24.015 14.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.365 -27.055 12.002 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -15.996 -25.549 13.913 1.00 0.00 H new ATOM 1271 N PRO A 88 -21.938 -26.731 7.409 1.00 0.00 N ATOM 1272 CA PRO A 88 -22.776 -27.386 6.401 1.00 0.00 C ATOM 1273 C PRO A 88 -23.903 -28.202 7.024 1.00 0.00 C ATOM 1274 O PRO A 88 -23.741 -28.780 8.098 1.00 0.00 O ATOM 1275 CB PRO A 88 -21.795 -28.302 5.665 1.00 0.00 C ATOM 1276 CG PRO A 88 -20.714 -28.572 6.654 1.00 0.00 C ATOM 1277 CD PRO A 88 -20.591 -27.323 7.484 1.00 0.00 C ATOM 0 HA PRO A 88 -23.274 -26.664 5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.279 -29.225 5.346 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.401 -27.822 4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.961 -29.432 7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.774 -28.801 6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.308 -27.550 8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -19.833 -26.649 7.086 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.044 -28.244 6.343 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.197 -28.990 6.833 1.00 0.00 C ATOM 1287 C GLU A 89 -25.897 -30.486 6.882 1.00 0.00 C ATOM 1288 O GLU A 89 -26.378 -31.197 7.763 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.414 -28.732 5.942 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.199 -29.121 4.489 1.00 0.00 C ATOM 1291 CD GLU A 89 -26.593 -28.000 3.668 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -26.180 -26.984 4.266 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -26.532 -28.137 2.429 1.00 0.00 O ATOM 0 H GLU A 89 -25.194 -27.771 5.452 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.416 -28.648 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.266 -29.287 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -27.672 -27.674 5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -26.547 -29.993 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -28.153 -29.413 4.050 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.099 -30.955 5.928 1.00 0.00 N ATOM 1301 CA ALA A 90 -24.733 -32.364 5.863 1.00 0.00 C ATOM 1302 C ALA A 90 -24.613 -32.965 7.259 1.00 0.00 C ATOM 1303 O ALA A 90 -25.035 -34.096 7.497 1.00 0.00 O ATOM 1304 CB ALA A 90 -23.430 -32.536 5.098 1.00 0.00 C ATOM 0 H ALA A 90 -24.694 -30.379 5.190 1.00 0.00 H new ATOM 0 HA ALA A 90 -25.524 -32.895 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.169 -33.593 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -23.550 -32.153 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.636 -31.985 5.603 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.034 -32.201 8.179 1.00 0.00 N ATOM 1311 CA ALA A 91 -23.859 -32.658 9.552 1.00 0.00 C ATOM 1312 C ALA A 91 -25.196 -32.724 10.283 1.00 0.00 C ATOM 1313 O ALA A 91 -25.851 -31.703 10.492 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.894 -31.745 10.294 1.00 0.00 C ATOM 0 H ALA A 91 -23.678 -31.262 7.998 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.440 -33.664 9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.773 -32.099 11.318 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -21.927 -31.752 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.290 -30.729 10.305 1.00 0.00 H new ATOM 1320 N SER A 92 -25.595 -33.932 10.669 1.00 0.00 N ATOM 1321 CA SER A 92 -26.857 -34.131 11.372 1.00 0.00 C ATOM 1322 C SER A 92 -26.694 -33.862 12.865 1.00 0.00 C ATOM 1323 O SER A 92 -27.640 -33.457 13.541 1.00 0.00 O ATOM 1324 CB SER A 92 -27.368 -35.556 11.152 1.00 0.00 C ATOM 1325 OG SER A 92 -28.122 -35.648 9.956 1.00 0.00 O ATOM 0 H SER A 92 -25.063 -34.787 10.507 1.00 0.00 H new ATOM 0 HA SER A 92 -27.584 -33.426 10.970 1.00 0.00 H new ATOM 0 HB2 SER A 92 -26.525 -36.245 11.108 1.00 0.00 H new ATOM 0 HB3 SER A 92 -27.984 -35.860 11.998 1.00 0.00 H new ATOM 0 HG SER A 92 -28.436 -36.569 9.837 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.488 -34.091 13.373 1.00 0.00 N ATOM 1332 CA ASP A 93 -25.199 -33.873 14.786 1.00 0.00 C ATOM 1333 C ASP A 93 -24.529 -32.519 15.001 1.00 0.00 C ATOM 1334 O ASP A 93 -23.529 -32.203 14.358 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.304 -34.990 15.324 1.00 0.00 C ATOM 1336 CG ASP A 93 -24.514 -35.238 16.805 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -25.107 -34.366 17.474 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -24.086 -36.303 17.295 1.00 0.00 O ATOM 0 H ASP A 93 -24.695 -34.428 12.827 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.143 -33.881 15.330 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.504 -35.909 14.773 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.260 -34.732 15.146 1.00 0.00 H new ATOM 1343 N GLU A 94 -25.088 -31.725 15.909 1.00 0.00 N ATOM 1344 CA GLU A 94 -24.545 -30.405 16.206 1.00 0.00 C ATOM 1345 C GLU A 94 -23.132 -30.513 16.771 1.00 0.00 C ATOM 1346 O GLU A 94 -22.359 -29.555 16.731 1.00 0.00 O ATOM 1347 CB GLU A 94 -25.448 -29.670 17.199 1.00 0.00 C ATOM 1348 CG GLU A 94 -25.546 -30.352 18.553 1.00 0.00 C ATOM 1349 CD GLU A 94 -26.026 -29.415 19.645 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -27.237 -29.109 19.673 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -25.192 -28.987 20.470 1.00 0.00 O ATOM 0 H GLU A 94 -25.916 -31.973 16.451 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.504 -29.839 15.275 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -25.071 -28.657 17.338 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -26.447 -29.583 16.772 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -26.228 -31.199 18.480 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -24.569 -30.752 18.826 1.00 0.00 H new ATOM 1358 N THR A 95 -22.799 -31.688 17.298 1.00 0.00 N ATOM 1359 CA THR A 95 -21.480 -31.922 17.872 1.00 0.00 C ATOM 1360 C THR A 95 -20.479 -32.337 16.800 1.00 0.00 C ATOM 1361 O THR A 95 -19.268 -32.254 17.001 1.00 0.00 O ATOM 1362 CB THR A 95 -21.527 -33.009 18.962 1.00 0.00 C ATOM 1363 OG1 THR A 95 -22.409 -32.608 20.017 1.00 0.00 O ATOM 1364 CG2 THR A 95 -20.139 -33.270 19.527 1.00 0.00 C ATOM 0 H THR A 95 -23.425 -32.492 17.339 1.00 0.00 H new ATOM 0 HA THR A 95 -21.159 -30.982 18.320 1.00 0.00 H new ATOM 0 HB THR A 95 -21.897 -33.929 18.510 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.434 -33.305 20.705 1.00 0.00 H new ATOM 0 HG21 THR A 95 -20.198 -34.041 20.295 1.00 0.00 H new ATOM 0 HG22 THR A 95 -19.478 -33.604 18.727 1.00 0.00 H new ATOM 0 HG23 THR A 95 -19.746 -32.352 19.964 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.993 -32.784 15.659 1.00 0.00 N ATOM 1373 CA LYS A 96 -20.144 -33.210 14.552 1.00 0.00 C ATOM 1374 C LYS A 96 -19.323 -32.042 14.015 1.00 0.00 C ATOM 1375 O LYS A 96 -18.100 -32.127 13.908 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.996 -33.808 13.430 1.00 0.00 C ATOM 1377 CG LYS A 96 -20.206 -34.667 12.458 1.00 0.00 C ATOM 1378 CD LYS A 96 -19.875 -36.024 13.056 1.00 0.00 C ATOM 1379 CE LYS A 96 -21.059 -36.974 12.972 1.00 0.00 C ATOM 1380 NZ LYS A 96 -21.269 -37.477 11.586 1.00 0.00 N ATOM 0 H LYS A 96 -21.994 -32.861 15.476 1.00 0.00 H new ATOM 0 HA LYS A 96 -19.459 -33.971 14.924 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.791 -34.410 13.870 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -21.476 -32.999 12.879 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -20.780 -34.802 11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -19.284 -34.154 12.184 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -19.023 -36.456 12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -19.579 -35.901 14.098 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -20.897 -37.817 13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -21.959 -36.463 13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -21.945 -38.267 11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -21.646 -36.711 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -20.363 -37.804 11.194 1.00 0.00 H new ATOM 1394 N LYS A 97 -20.004 -30.952 13.679 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.338 -29.765 13.155 1.00 0.00 C ATOM 1396 C LYS A 97 -18.335 -29.214 14.163 1.00 0.00 C ATOM 1397 O LYS A 97 -17.147 -29.089 13.865 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.369 -28.689 12.806 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.638 -28.770 13.637 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.689 -29.637 12.966 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.596 -28.816 12.063 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.455 -27.880 12.841 1.00 0.00 N ATOM 0 H LYS A 97 -21.017 -30.866 13.760 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.799 -30.051 12.252 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -19.917 -27.707 12.943 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.629 -28.776 11.751 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.404 -29.176 14.621 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -22.037 -27.768 13.792 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.200 -30.416 12.381 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -23.288 -30.138 13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -22.989 -28.250 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -24.226 -29.485 11.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.443 -28.201 12.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.138 -27.860 13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -24.384 -26.925 12.435 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.820 -28.888 15.357 1.00 0.00 N ATOM 1417 CA ARG A 98 -17.965 -28.352 16.409 1.00 0.00 C ATOM 1418 C ARG A 98 -16.830 -29.319 16.733 1.00 0.00 C ATOM 1419 O ARG A 98 -15.804 -28.925 17.289 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.786 -28.071 17.669 1.00 0.00 C ATOM 1421 CG ARG A 98 -19.264 -29.327 18.377 1.00 0.00 C ATOM 1422 CD ARG A 98 -18.247 -29.813 19.398 1.00 0.00 C ATOM 1423 NE ARG A 98 -18.435 -29.181 20.701 1.00 0.00 N ATOM 1424 CZ ARG A 98 -17.571 -29.293 21.704 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -16.465 -30.007 21.553 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -17.813 -28.689 22.860 1.00 0.00 N ATOM 0 H ARG A 98 -19.801 -28.986 15.620 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.532 -27.418 16.050 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -18.184 -27.481 18.360 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -19.651 -27.464 17.401 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -20.213 -29.127 18.874 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -19.448 -30.112 17.643 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -18.329 -30.895 19.505 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -17.241 -29.604 19.035 1.00 0.00 H new ATOM 0 HE ARG A 98 -19.276 -28.623 20.849 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.275 -30.472 20.665 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.803 -30.091 22.325 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -18.663 -28.138 22.979 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.149 -28.776 23.629 1.00 0.00 H new ATOM 1440 N THR A 99 -17.022 -30.587 16.383 1.00 0.00 N ATOM 1441 CA THR A 99 -16.016 -31.610 16.639 1.00 0.00 C ATOM 1442 C THR A 99 -15.263 -31.972 15.363 1.00 0.00 C ATOM 1443 O THR A 99 -14.555 -32.977 15.313 1.00 0.00 O ATOM 1444 CB THR A 99 -16.649 -32.886 17.226 1.00 0.00 C ATOM 1445 OG1 THR A 99 -17.326 -32.578 18.450 1.00 0.00 O ATOM 1446 CG2 THR A 99 -15.590 -33.948 17.480 1.00 0.00 C ATOM 0 H THR A 99 -17.865 -30.930 15.922 1.00 0.00 H new ATOM 0 HA THR A 99 -15.318 -31.192 17.364 1.00 0.00 H new ATOM 0 HB THR A 99 -17.365 -33.276 16.503 1.00 0.00 H new ATOM 0 HG1 THR A 99 -18.178 -32.137 18.251 1.00 0.00 H new ATOM 0 HG21 THR A 99 -16.061 -34.839 17.894 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.096 -34.201 16.542 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.853 -33.565 18.186 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.420 -31.145 14.335 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.753 -31.377 13.060 1.00 0.00 C ATOM 1456 C ALA A 100 -13.269 -31.037 13.148 1.00 0.00 C ATOM 1457 O ALA A 100 -12.444 -31.627 12.449 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.418 -30.563 11.960 1.00 0.00 C ATOM 0 H ALA A 100 -16.003 -30.309 14.360 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.844 -32.436 12.818 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -14.909 -30.746 11.014 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.464 -30.856 11.872 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.358 -29.503 12.205 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.935 -30.082 14.010 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.550 -29.663 14.187 1.00 0.00 C ATOM 1466 C PHE A 101 -10.905 -30.399 15.358 1.00 0.00 C ATOM 1467 O PHE A 101 -10.025 -29.864 16.032 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.477 -28.152 14.418 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.851 -27.343 13.208 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.095 -27.416 12.049 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -12.957 -26.509 13.231 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.436 -26.673 10.935 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.303 -25.764 12.120 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.541 -25.845 10.971 1.00 0.00 C ATOM 0 H PHE A 101 -13.605 -29.584 14.597 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.003 -29.911 13.278 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.139 -27.886 15.242 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.465 -27.887 14.724 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.229 -28.061 12.016 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.555 -26.440 14.127 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.839 -26.740 10.037 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.169 -25.119 12.150 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.809 -25.262 10.102 1.00 0.00 H new ATOM 1484 N ALA A 102 -11.350 -31.628 15.594 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.816 -32.438 16.682 1.00 0.00 C ATOM 1486 C ALA A 102 -9.375 -32.852 16.403 1.00 0.00 C ATOM 1487 O ALA A 102 -9.085 -33.477 15.383 1.00 0.00 O ATOM 1488 CB ALA A 102 -11.687 -33.667 16.902 1.00 0.00 C ATOM 0 H ALA A 102 -12.079 -32.085 15.046 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.823 -31.833 17.589 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.276 -34.263 17.717 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.700 -33.354 17.155 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.709 -34.265 15.991 1.00 0.00 H new ATOM 1494 N GLY A 103 -8.475 -32.498 17.315 1.00 0.00 N ATOM 1495 CA GLY A 103 -7.075 -32.841 17.147 1.00 0.00 C ATOM 1496 C GLY A 103 -6.370 -31.933 16.158 1.00 0.00 C ATOM 1497 O GLY A 103 -5.436 -32.353 15.475 1.00 0.00 O ATOM 0 H GLY A 103 -8.690 -31.980 18.167 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.571 -32.783 18.112 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.995 -33.874 16.808 1.00 0.00 H new ATOM 1501 N THR A 104 -6.820 -30.685 16.079 1.00 0.00 N ATOM 1502 CA THR A 104 -6.229 -29.716 15.164 1.00 0.00 C ATOM 1503 C THR A 104 -5.773 -28.466 15.907 1.00 0.00 C ATOM 1504 O THR A 104 -6.048 -28.303 17.095 1.00 0.00 O ATOM 1505 CB THR A 104 -7.221 -29.309 14.059 1.00 0.00 C ATOM 1506 OG1 THR A 104 -8.274 -28.513 14.614 1.00 0.00 O ATOM 1507 CG2 THR A 104 -7.811 -30.538 13.382 1.00 0.00 C ATOM 0 H THR A 104 -7.592 -30.321 16.638 1.00 0.00 H new ATOM 0 HA THR A 104 -5.366 -30.199 14.707 1.00 0.00 H new ATOM 0 HB THR A 104 -6.680 -28.726 13.313 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.750 -29.030 15.297 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.509 -30.226 12.605 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.010 -31.127 12.935 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.337 -31.143 14.121 1.00 0.00 H new ATOM 1515 N ALA A 105 -5.074 -27.584 15.199 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.582 -26.347 15.791 1.00 0.00 C ATOM 1517 C ALA A 105 -5.725 -25.374 16.059 1.00 0.00 C ATOM 1518 O ALA A 105 -5.561 -24.394 16.786 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.542 -25.705 14.885 1.00 0.00 C ATOM 0 H ALA A 105 -4.836 -27.704 14.214 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.116 -26.591 16.745 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.183 -24.782 15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.706 -26.391 14.748 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.991 -25.482 13.917 1.00 0.00 H new ATOM 1525 N ILE A 106 -6.882 -25.651 15.468 1.00 0.00 N ATOM 1526 CA ILE A 106 -8.052 -24.800 15.644 1.00 0.00 C ATOM 1527 C ILE A 106 -8.888 -25.253 16.836 1.00 0.00 C ATOM 1528 O ILE A 106 -9.051 -26.450 17.072 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.938 -24.792 14.384 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.194 -24.142 13.215 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.244 -24.063 14.659 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.613 -24.673 11.862 1.00 0.00 C ATOM 0 H ILE A 106 -7.034 -26.458 14.863 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.682 -23.791 15.825 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.170 -25.822 14.115 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.362 -23.065 13.242 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.123 -24.301 13.343 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.859 -24.066 13.759 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.778 -24.565 15.465 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.032 -23.034 14.950 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.045 -24.168 11.081 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.419 -25.745 11.816 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.677 -24.490 11.713 1.00 0.00 H new ATOM 1544 N SER A 107 -9.415 -24.289 17.583 1.00 0.00 N ATOM 1545 CA SER A 107 -10.233 -24.589 18.753 1.00 0.00 C ATOM 1546 C SER A 107 -11.581 -23.880 18.669 1.00 0.00 C ATOM 1547 O SER A 107 -11.662 -22.659 18.805 1.00 0.00 O ATOM 1548 CB SER A 107 -9.504 -24.174 20.032 1.00 0.00 C ATOM 1549 OG SER A 107 -8.571 -25.163 20.431 1.00 0.00 O ATOM 0 H SER A 107 -9.291 -23.293 17.399 1.00 0.00 H new ATOM 0 HA SER A 107 -10.408 -25.665 18.777 1.00 0.00 H new ATOM 0 HB2 SER A 107 -8.988 -23.228 19.870 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.228 -24.010 20.830 1.00 0.00 H new ATOM 0 HG SER A 107 -8.117 -24.873 21.250 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.637 -24.655 18.445 1.00 0.00 N ATOM 1556 CA ILE A 108 -13.982 -24.102 18.344 1.00 0.00 C ATOM 1557 C ILE A 108 -14.734 -24.242 19.664 1.00 0.00 C ATOM 1558 O ILE A 108 -14.701 -25.295 20.301 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.792 -24.790 17.229 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.098 -24.034 16.977 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.075 -26.239 17.598 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.971 -22.939 15.941 1.00 0.00 C ATOM 0 H ILE A 108 -12.587 -25.667 18.330 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.871 -23.045 18.101 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.204 -24.777 16.311 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.862 -24.742 16.654 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.443 -23.598 17.915 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.648 -26.712 16.801 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.133 -26.771 17.733 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.647 -26.273 18.525 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.934 -22.445 15.813 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.231 -22.210 16.271 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.656 -23.371 14.991 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.414 -23.173 20.067 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.177 -23.177 21.310 1.00 0.00 C ATOM 1576 C VAL A 109 -17.624 -22.761 21.067 1.00 0.00 C ATOM 1577 O VAL A 109 -17.890 -21.771 20.386 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.552 -22.234 22.355 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.116 -22.639 22.649 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -15.622 -20.791 21.880 1.00 0.00 C ATOM 0 H VAL A 109 -15.452 -22.294 19.551 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.154 -24.197 21.693 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.123 -22.315 23.280 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.691 -21.961 23.389 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.097 -23.658 23.036 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.529 -22.589 21.732 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.176 -20.139 22.631 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -15.077 -20.690 20.942 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.664 -20.509 21.727 1.00 0.00 H new