USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot -21:sc= 0.243 USER MOD Single : A 22 THR OG1 : rot 45:sc= 0.441 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 166:sc=-0.00169 (180deg=-0.28) USER MOD Single : A 34 MET CE :methyl -147:sc= -0.411 (180deg=-0.86) USER MOD Single : A 35 THR OG1 : rot -109:sc= 0.0172 USER MOD Single : A 38 MET CE :methyl -168:sc= -0.0164 (180deg=-0.251) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -72:sc= 1.25 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.5 F(o=-3.3!,f=-2.5) USER MOD Single : A 68 THR OG1 : rot -41:sc= 0.39 USER MOD Single : A 69 SER OG : rot -97:sc= 1.05 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.216 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 49:sc= -0.419 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 70:sc= -0.624 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 104 THR OG1 : rot -65:sc= 0.755 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.769 -16.320 7.853 1.00 0.00 N ATOM 283 CA THR A 20 -3.730 -17.242 7.263 1.00 0.00 C ATOM 284 C THR A 20 -3.081 -18.089 6.174 1.00 0.00 C ATOM 285 O THR A 20 -1.933 -17.857 5.795 1.00 0.00 O ATOM 286 CB THR A 20 -4.934 -16.492 6.664 1.00 0.00 C ATOM 287 OG1 THR A 20 -4.481 -15.378 5.886 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.868 -16.004 7.762 1.00 0.00 C ATOM 0 HA THR A 20 -4.079 -17.891 8.066 1.00 0.00 H new ATOM 0 HB THR A 20 -5.482 -17.183 6.023 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.576 -15.129 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.711 -15.477 7.315 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.235 -16.857 8.333 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.328 -15.328 8.425 1.00 0.00 H new ATOM 296 N ALA A 21 -3.823 -19.071 5.673 1.00 0.00 N ATOM 297 CA ALA A 21 -3.321 -19.951 4.625 1.00 0.00 C ATOM 298 C ALA A 21 -3.849 -19.533 3.257 1.00 0.00 C ATOM 299 O ALA A 21 -4.795 -18.751 3.157 1.00 0.00 O ATOM 300 CB ALA A 21 -3.700 -21.394 4.921 1.00 0.00 C ATOM 0 H ALA A 21 -4.775 -19.277 5.976 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.234 -19.869 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.319 -22.040 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.268 -21.695 5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.785 -21.482 4.970 1.00 0.00 H new ATOM 306 N THR A 22 -3.231 -20.058 2.203 1.00 0.00 N ATOM 307 CA THR A 22 -3.638 -19.737 0.841 1.00 0.00 C ATOM 308 C THR A 22 -3.744 -20.996 -0.012 1.00 0.00 C ATOM 309 O THR A 22 -2.737 -21.527 -0.479 1.00 0.00 O ATOM 310 CB THR A 22 -2.649 -18.761 0.175 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.311 -19.253 0.306 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.750 -17.378 0.800 1.00 0.00 C ATOM 0 H THR A 22 -2.447 -20.707 2.267 1.00 0.00 H new ATOM 0 HA THR A 22 -4.617 -19.262 0.907 1.00 0.00 H new ATOM 0 HB THR A 22 -2.905 -18.684 -0.882 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.291 -20.209 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.043 -16.706 0.314 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.762 -16.994 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.518 -17.441 1.863 1.00 0.00 H new ATOM 320 N ALA A 23 -4.970 -21.468 -0.211 1.00 0.00 N ATOM 321 CA ALA A 23 -5.207 -22.664 -1.010 1.00 0.00 C ATOM 322 C ALA A 23 -5.239 -22.332 -2.498 1.00 0.00 C ATOM 323 O ALA A 23 -5.585 -21.223 -2.905 1.00 0.00 O ATOM 324 CB ALA A 23 -6.508 -23.331 -0.589 1.00 0.00 C ATOM 0 H ALA A 23 -5.814 -21.041 0.170 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.383 -23.356 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.672 -24.223 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.449 -23.612 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.336 -22.637 -0.734 1.00 0.00 H new ATOM 330 N PRO A 24 -4.868 -23.315 -3.333 1.00 0.00 N ATOM 331 CA PRO A 24 -4.845 -23.150 -4.789 1.00 0.00 C ATOM 332 C PRO A 24 -6.246 -23.042 -5.382 1.00 0.00 C ATOM 333 O PRO A 24 -6.410 -22.950 -6.598 1.00 0.00 O ATOM 334 CB PRO A 24 -4.154 -24.425 -5.279 1.00 0.00 C ATOM 335 CG PRO A 24 -4.412 -25.431 -4.211 1.00 0.00 C ATOM 336 CD PRO A 24 -4.443 -24.663 -2.918 1.00 0.00 C ATOM 0 HA PRO A 24 -4.338 -22.232 -5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.559 -24.752 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.085 -24.266 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.357 -25.947 -4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.632 -26.192 -4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.141 -25.103 -2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.465 -24.646 -2.437 1.00 0.00 H new ATOM 344 N GLY A 25 -7.254 -23.053 -4.515 1.00 0.00 N ATOM 345 CA GLY A 25 -8.627 -22.955 -4.973 1.00 0.00 C ATOM 346 C GLY A 25 -9.036 -24.131 -5.838 1.00 0.00 C ATOM 347 O GLY A 25 -8.422 -24.392 -6.871 1.00 0.00 O ATOM 0 H GLY A 25 -7.144 -23.128 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.291 -22.894 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.753 -22.031 -5.538 1.00 0.00 H new ATOM 351 N GLY A 26 -10.075 -24.843 -5.413 1.00 0.00 N ATOM 352 CA GLY A 26 -10.545 -25.990 -6.167 1.00 0.00 C ATOM 353 C GLY A 26 -12.028 -26.243 -5.974 1.00 0.00 C ATOM 354 O GLY A 26 -12.538 -27.302 -6.343 1.00 0.00 O ATOM 0 H GLY A 26 -10.599 -24.646 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.341 -25.833 -7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.986 -26.875 -5.863 1.00 0.00 H new ATOM 358 N LEU A 27 -12.721 -25.270 -5.393 1.00 0.00 N ATOM 359 CA LEU A 27 -14.154 -25.392 -5.150 1.00 0.00 C ATOM 360 C LEU A 27 -14.902 -25.702 -6.443 1.00 0.00 C ATOM 361 O LEU A 27 -14.529 -25.227 -7.516 1.00 0.00 O ATOM 362 CB LEU A 27 -14.697 -24.104 -4.529 1.00 0.00 C ATOM 363 CG LEU A 27 -14.730 -24.058 -3.001 1.00 0.00 C ATOM 364 CD1 LEU A 27 -14.629 -22.622 -2.508 1.00 0.00 C ATOM 365 CD2 LEU A 27 -15.997 -24.716 -2.474 1.00 0.00 C ATOM 0 H LEU A 27 -12.314 -24.388 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.311 -26.217 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.092 -23.270 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.710 -23.944 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.872 -24.613 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.654 -22.609 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.693 -22.183 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.467 -22.044 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.003 -24.674 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.869 -24.190 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.028 -25.757 -2.797 1.00 0.00 H new ATOM 377 N SER A 28 -15.960 -26.499 -6.332 1.00 0.00 N ATOM 378 CA SER A 28 -16.759 -26.873 -7.493 1.00 0.00 C ATOM 379 C SER A 28 -17.927 -25.909 -7.682 1.00 0.00 C ATOM 380 O SER A 28 -18.636 -25.966 -8.686 1.00 0.00 O ATOM 381 CB SER A 28 -17.283 -28.302 -7.339 1.00 0.00 C ATOM 382 OG SER A 28 -18.382 -28.349 -6.445 1.00 0.00 O ATOM 0 H SER A 28 -16.284 -26.898 -5.451 1.00 0.00 H new ATOM 0 HA SER A 28 -16.120 -26.821 -8.375 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.585 -28.689 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.485 -28.948 -6.973 1.00 0.00 H new ATOM 0 HG SER A 28 -18.699 -29.273 -6.365 1.00 0.00 H new ATOM 388 N ALA A 29 -18.119 -25.025 -6.709 1.00 0.00 N ATOM 389 CA ALA A 29 -19.199 -24.047 -6.767 1.00 0.00 C ATOM 390 C ALA A 29 -18.981 -22.928 -5.755 1.00 0.00 C ATOM 391 O ALA A 29 -17.986 -22.917 -5.030 1.00 0.00 O ATOM 392 CB ALA A 29 -20.539 -24.726 -6.527 1.00 0.00 C ATOM 0 H ALA A 29 -17.541 -24.966 -5.871 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.202 -23.604 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.336 -23.984 -6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.705 -25.485 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.538 -25.196 -5.544 1.00 0.00 H new ATOM 398 N LYS A 30 -19.918 -21.987 -5.710 1.00 0.00 N ATOM 399 CA LYS A 30 -19.830 -20.863 -4.785 1.00 0.00 C ATOM 400 C LYS A 30 -19.948 -21.336 -3.340 1.00 0.00 C ATOM 401 O LYS A 30 -20.723 -22.242 -3.035 1.00 0.00 O ATOM 402 CB LYS A 30 -20.927 -19.839 -5.089 1.00 0.00 C ATOM 403 CG LYS A 30 -22.287 -20.464 -5.348 1.00 0.00 C ATOM 404 CD LYS A 30 -22.540 -20.653 -6.834 1.00 0.00 C ATOM 405 CE LYS A 30 -23.265 -19.457 -7.433 1.00 0.00 C ATOM 406 NZ LYS A 30 -22.315 -18.410 -7.901 1.00 0.00 N ATOM 0 H LYS A 30 -20.747 -21.980 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.855 -20.393 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -21.008 -19.146 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.634 -19.253 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.348 -21.428 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.066 -19.831 -4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -21.591 -20.800 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.132 -21.555 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.882 -19.787 -8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.938 -19.030 -6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -22.818 -17.731 -8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -21.916 -17.912 -7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -21.547 -18.855 -8.443 1.00 0.00 H new ATOM 420 N ALA A 31 -19.176 -20.715 -2.454 1.00 0.00 N ATOM 421 CA ALA A 31 -19.197 -21.071 -1.041 1.00 0.00 C ATOM 422 C ALA A 31 -18.960 -19.847 -0.163 1.00 0.00 C ATOM 423 O ALA A 31 -17.987 -19.112 -0.330 1.00 0.00 O ATOM 424 CB ALA A 31 -18.155 -22.141 -0.750 1.00 0.00 C ATOM 0 H ALA A 31 -18.528 -19.963 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.185 -21.468 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.182 -22.397 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.370 -23.029 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.165 -21.764 -1.007 1.00 0.00 H new ATOM 430 N PRO A 32 -19.871 -19.619 0.795 1.00 0.00 N ATOM 431 CA PRO A 32 -19.782 -18.484 1.718 1.00 0.00 C ATOM 432 C PRO A 32 -18.632 -18.631 2.709 1.00 0.00 C ATOM 433 O PRO A 32 -18.142 -19.734 2.947 1.00 0.00 O ATOM 434 CB PRO A 32 -21.126 -18.516 2.450 1.00 0.00 C ATOM 435 CG PRO A 32 -21.568 -19.936 2.368 1.00 0.00 C ATOM 436 CD PRO A 32 -21.057 -20.454 1.052 1.00 0.00 C ATOM 0 HA PRO A 32 -19.588 -17.548 1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.020 -18.193 3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.849 -17.849 1.980 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.168 -20.518 3.198 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.654 -20.010 2.421 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.799 -21.512 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.801 -20.349 0.262 1.00 0.00 H new ATOM 444 N ALA A 33 -18.206 -17.511 3.284 1.00 0.00 N ATOM 445 CA ALA A 33 -17.116 -17.516 4.251 1.00 0.00 C ATOM 446 C ALA A 33 -17.608 -17.937 5.632 1.00 0.00 C ATOM 447 O ALA A 33 -18.775 -18.288 5.804 1.00 0.00 O ATOM 448 CB ALA A 33 -16.463 -16.143 4.317 1.00 0.00 C ATOM 0 H ALA A 33 -18.599 -16.589 3.097 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.374 -18.244 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.650 -16.161 5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.067 -15.881 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.203 -15.402 4.619 1.00 0.00 H new ATOM 454 N MET A 34 -16.711 -17.900 6.611 1.00 0.00 N ATOM 455 CA MET A 34 -17.055 -18.277 7.977 1.00 0.00 C ATOM 456 C MET A 34 -17.577 -19.709 8.030 1.00 0.00 C ATOM 457 O MET A 34 -18.654 -19.970 8.567 1.00 0.00 O ATOM 458 CB MET A 34 -18.103 -17.319 8.545 1.00 0.00 C ATOM 459 CG MET A 34 -17.529 -15.982 8.987 1.00 0.00 C ATOM 460 SD MET A 34 -16.186 -16.162 10.176 1.00 0.00 S ATOM 461 CE MET A 34 -16.953 -17.228 11.394 1.00 0.00 C ATOM 0 H MET A 34 -15.740 -17.613 6.484 1.00 0.00 H new ATOM 0 HA MET A 34 -16.151 -18.215 8.583 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.870 -17.144 7.791 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.594 -17.793 9.395 1.00 0.00 H new ATOM 0 HG2 MET A 34 -17.166 -15.440 8.114 1.00 0.00 H new ATOM 0 HG3 MET A 34 -18.322 -15.379 9.429 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.569 -16.984 12.385 1.00 0.00 H new ATOM 0 HE2 MET A 34 -18.033 -17.082 11.377 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.724 -18.268 11.163 1.00 0.00 H new ATOM 471 N THR A 35 -16.807 -20.637 7.469 1.00 0.00 N ATOM 472 CA THR A 35 -17.193 -22.042 7.451 1.00 0.00 C ATOM 473 C THR A 35 -15.974 -22.945 7.300 1.00 0.00 C ATOM 474 O THR A 35 -14.958 -22.564 6.718 1.00 0.00 O ATOM 475 CB THR A 35 -18.182 -22.339 6.307 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.539 -22.147 5.042 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.404 -21.438 6.402 1.00 0.00 C ATOM 0 H THR A 35 -15.912 -20.440 7.021 1.00 0.00 H new ATOM 0 HA THR A 35 -17.679 -22.248 8.405 1.00 0.00 H new ATOM 0 HB THR A 35 -18.506 -23.376 6.396 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.904 -21.348 4.608 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.088 -21.665 5.584 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.907 -21.607 7.354 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.093 -20.395 6.336 1.00 0.00 H new ATOM 485 N PRO A 36 -16.074 -24.170 7.835 1.00 0.00 N ATOM 486 CA PRO A 36 -14.989 -25.153 7.772 1.00 0.00 C ATOM 487 C PRO A 36 -14.767 -25.682 6.358 1.00 0.00 C ATOM 488 O PRO A 36 -15.722 -25.963 5.633 1.00 0.00 O ATOM 489 CB PRO A 36 -15.472 -26.276 8.693 1.00 0.00 C ATOM 490 CG PRO A 36 -16.957 -26.158 8.687 1.00 0.00 C ATOM 491 CD PRO A 36 -17.255 -24.691 8.544 1.00 0.00 C ATOM 0 HA PRO A 36 -14.032 -24.723 8.068 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.151 -27.252 8.329 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.070 -26.163 9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.390 -26.726 7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.384 -26.555 9.608 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.171 -24.520 7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.385 -24.211 9.514 1.00 0.00 H new ATOM 499 N LEU A 37 -13.503 -25.816 5.973 1.00 0.00 N ATOM 500 CA LEU A 37 -13.156 -26.312 4.646 1.00 0.00 C ATOM 501 C LEU A 37 -12.264 -27.545 4.741 1.00 0.00 C ATOM 502 O LEU A 37 -11.614 -27.775 5.760 1.00 0.00 O ATOM 503 CB LEU A 37 -12.452 -25.219 3.839 1.00 0.00 C ATOM 504 CG LEU A 37 -13.015 -23.805 3.989 1.00 0.00 C ATOM 505 CD1 LEU A 37 -12.099 -22.792 3.321 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.418 -23.726 3.404 1.00 0.00 C ATOM 0 H LEU A 37 -12.701 -25.588 6.561 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.078 -26.593 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.401 -25.202 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.489 -25.493 2.785 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.071 -23.567 5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.516 -21.792 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.114 -22.831 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.010 -23.026 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.804 -22.713 3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.386 -23.984 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.071 -24.424 3.928 1.00 0.00 H new ATOM 518 N MET A 38 -12.236 -28.333 3.672 1.00 0.00 N ATOM 519 CA MET A 38 -11.420 -29.541 3.634 1.00 0.00 C ATOM 520 C MET A 38 -10.386 -29.464 2.515 1.00 0.00 C ATOM 521 O MET A 38 -10.667 -28.953 1.430 1.00 0.00 O ATOM 522 CB MET A 38 -12.304 -30.774 3.443 1.00 0.00 C ATOM 523 CG MET A 38 -12.973 -30.837 2.079 1.00 0.00 C ATOM 524 SD MET A 38 -14.205 -32.149 1.970 1.00 0.00 S ATOM 525 CE MET A 38 -13.174 -33.600 2.167 1.00 0.00 C ATOM 0 H MET A 38 -12.769 -28.157 2.820 1.00 0.00 H new ATOM 0 HA MET A 38 -10.894 -29.624 4.585 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.699 -31.670 3.584 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.072 -30.783 4.216 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.448 -29.879 1.867 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.213 -30.993 1.313 1.00 0.00 H new ATOM 0 HE1 MET A 38 -13.748 -34.491 1.912 1.00 0.00 H new ATOM 0 HE2 MET A 38 -12.309 -33.524 1.508 1.00 0.00 H new ATOM 0 HE3 MET A 38 -12.837 -33.669 3.201 1.00 0.00 H new ATOM 535 N LEU A 39 -9.189 -29.974 2.785 1.00 0.00 N ATOM 536 CA LEU A 39 -8.113 -29.963 1.801 1.00 0.00 C ATOM 537 C LEU A 39 -8.068 -31.277 1.028 1.00 0.00 C ATOM 538 O LEU A 39 -7.728 -32.323 1.581 1.00 0.00 O ATOM 539 CB LEU A 39 -6.769 -29.716 2.488 1.00 0.00 C ATOM 540 CG LEU A 39 -5.578 -29.462 1.563 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.457 -30.573 0.532 1.00 0.00 C ATOM 542 CD2 LEU A 39 -5.713 -28.109 0.879 1.00 0.00 C ATOM 0 H LEU A 39 -8.940 -30.400 3.677 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.308 -29.155 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.876 -28.859 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.540 -30.579 3.114 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.670 -29.453 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.604 -30.375 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.313 -31.527 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.367 -30.615 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.857 -27.945 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.629 -28.089 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.750 -27.322 1.633 1.00 0.00 H new ATOM 626 N LYS A 45 -6.169 -29.816 -3.959 1.00 0.00 N ATOM 627 CA LYS A 45 -6.810 -28.513 -3.831 1.00 0.00 C ATOM 628 C LYS A 45 -7.579 -28.411 -2.517 1.00 0.00 C ATOM 629 O LYS A 45 -7.626 -29.364 -1.738 1.00 0.00 O ATOM 630 CB LYS A 45 -7.757 -28.270 -5.008 1.00 0.00 C ATOM 631 CG LYS A 45 -7.092 -27.592 -6.194 1.00 0.00 C ATOM 632 CD LYS A 45 -6.356 -28.593 -7.068 1.00 0.00 C ATOM 633 CE LYS A 45 -6.159 -28.062 -8.479 1.00 0.00 C ATOM 634 NZ LYS A 45 -5.291 -28.958 -9.293 1.00 0.00 N ATOM 0 HA LYS A 45 -6.031 -27.751 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.173 -29.224 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.592 -27.656 -4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.845 -27.074 -6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.393 -26.836 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.386 -28.820 -6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.917 -29.527 -7.105 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.129 -27.956 -8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.714 -27.068 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.181 -28.561 -10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.357 -29.040 -8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.728 -29.900 -9.358 1.00 0.00 H new ATOM 648 N LEU A 46 -8.181 -27.252 -2.277 1.00 0.00 N ATOM 649 CA LEU A 46 -8.949 -27.026 -1.058 1.00 0.00 C ATOM 650 C LEU A 46 -10.348 -26.511 -1.383 1.00 0.00 C ATOM 651 O LEU A 46 -10.508 -25.558 -2.146 1.00 0.00 O ATOM 652 CB LEU A 46 -8.224 -26.030 -0.152 1.00 0.00 C ATOM 653 CG LEU A 46 -8.558 -26.112 1.338 1.00 0.00 C ATOM 654 CD1 LEU A 46 -7.613 -25.236 2.146 1.00 0.00 C ATOM 655 CD2 LEU A 46 -10.004 -25.709 1.584 1.00 0.00 C ATOM 0 H LEU A 46 -8.152 -26.453 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.045 -27.978 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.150 -26.175 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.450 -25.022 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.430 -27.145 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.866 -25.307 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.587 -25.572 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.708 -24.200 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.223 -25.774 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.160 -24.686 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.667 -26.379 1.036 1.00 0.00 H new ATOM 667 N VAL A 47 -11.358 -27.145 -0.797 1.00 0.00 N ATOM 668 CA VAL A 47 -12.743 -26.749 -1.021 1.00 0.00 C ATOM 669 C VAL A 47 -13.559 -26.851 0.263 1.00 0.00 C ATOM 670 O VAL A 47 -13.106 -27.423 1.254 1.00 0.00 O ATOM 671 CB VAL A 47 -13.406 -27.616 -2.108 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.530 -27.678 -3.350 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.690 -29.012 -1.575 1.00 0.00 C ATOM 0 H VAL A 47 -11.243 -27.936 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.725 -25.712 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.355 -27.158 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.015 -28.295 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.383 -26.672 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.564 -28.112 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -14.158 -29.611 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.755 -29.482 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.360 -28.945 -0.718 1.00 0.00 H new ATOM 683 N ALA A 48 -14.764 -26.292 0.237 1.00 0.00 N ATOM 684 CA ALA A 48 -15.645 -26.323 1.398 1.00 0.00 C ATOM 685 C ALA A 48 -15.804 -27.743 1.930 1.00 0.00 C ATOM 686 O ALA A 48 -15.744 -28.710 1.171 1.00 0.00 O ATOM 687 CB ALA A 48 -17.003 -25.734 1.046 1.00 0.00 C ATOM 0 H ALA A 48 -15.153 -25.812 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.191 -25.718 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.651 -25.764 1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.878 -24.701 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.454 -26.315 0.242 1.00 0.00 H new ATOM 693 N TRP A 49 -16.005 -27.861 3.237 1.00 0.00 N ATOM 694 CA TRP A 49 -16.171 -29.165 3.870 1.00 0.00 C ATOM 695 C TRP A 49 -17.405 -29.879 3.329 1.00 0.00 C ATOM 696 O TRP A 49 -18.408 -29.244 3.003 1.00 0.00 O ATOM 697 CB TRP A 49 -16.283 -29.007 5.387 1.00 0.00 C ATOM 698 CG TRP A 49 -16.496 -30.306 6.105 1.00 0.00 C ATOM 699 CD1 TRP A 49 -15.943 -31.515 5.793 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.321 -30.524 7.254 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.375 -32.472 6.679 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.221 -31.890 7.586 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.134 -29.700 8.037 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -17.904 -32.446 8.664 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.811 -30.253 9.107 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.692 -31.615 9.413 1.00 0.00 C ATOM 0 H TRP A 49 -16.057 -27.070 3.879 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.294 -29.769 3.638 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.375 -28.536 5.764 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.110 -28.334 5.615 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.266 -31.693 4.971 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.109 -33.457 6.664 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.231 -28.649 7.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -17.815 -33.496 8.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.442 -29.625 9.718 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.233 -32.017 10.257 1.00 0.00 H new ATOM 717 N ASP A 50 -17.324 -31.202 3.235 1.00 0.00 N ATOM 718 CA ASP A 50 -18.435 -32.002 2.734 1.00 0.00 C ATOM 719 C ASP A 50 -19.636 -31.911 3.671 1.00 0.00 C ATOM 720 O ASP A 50 -20.760 -31.668 3.233 1.00 0.00 O ATOM 721 CB ASP A 50 -18.008 -33.462 2.573 1.00 0.00 C ATOM 722 CG ASP A 50 -19.174 -34.375 2.249 1.00 0.00 C ATOM 723 OD1 ASP A 50 -20.154 -34.382 3.024 1.00 0.00 O ATOM 724 OD2 ASP A 50 -19.107 -35.082 1.222 1.00 0.00 O ATOM 0 H ASP A 50 -16.500 -31.743 3.499 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.725 -31.607 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.263 -33.534 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.530 -33.801 3.492 1.00 0.00 H new ATOM 729 N GLY A 51 -19.389 -32.110 4.962 1.00 0.00 N ATOM 730 CA GLY A 51 -20.460 -32.047 5.940 1.00 0.00 C ATOM 731 C GLY A 51 -20.661 -33.363 6.664 1.00 0.00 C ATOM 732 O GLY A 51 -21.347 -33.421 7.685 1.00 0.00 O ATOM 0 H GLY A 51 -18.467 -32.314 5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.238 -31.266 6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.387 -31.765 5.441 1.00 0.00 H new ATOM 736 N THR A 52 -20.063 -34.426 6.135 1.00 0.00 N ATOM 737 CA THR A 52 -20.182 -35.748 6.736 1.00 0.00 C ATOM 738 C THR A 52 -18.826 -36.262 7.208 1.00 0.00 C ATOM 739 O THR A 52 -18.696 -36.767 8.324 1.00 0.00 O ATOM 740 CB THR A 52 -20.786 -36.763 5.746 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.146 -36.644 4.471 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.283 -36.542 5.591 1.00 0.00 C ATOM 0 H THR A 52 -19.491 -34.397 5.291 1.00 0.00 H new ATOM 0 HA THR A 52 -20.848 -35.646 7.593 1.00 0.00 H new ATOM 0 HB THR A 52 -20.622 -37.765 6.142 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.431 -35.812 4.038 1.00 0.00 H new ATOM 0 HG21 THR A 52 -22.687 -37.270 4.888 1.00 0.00 H new ATOM 0 HG22 THR A 52 -22.771 -36.663 6.558 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.465 -35.535 5.216 1.00 0.00 H new ATOM 750 N THR A 53 -17.818 -36.129 6.353 1.00 0.00 N ATOM 751 CA THR A 53 -16.471 -36.579 6.682 1.00 0.00 C ATOM 752 C THR A 53 -16.050 -36.090 8.063 1.00 0.00 C ATOM 753 O THR A 53 -15.910 -34.888 8.290 1.00 0.00 O ATOM 754 CB THR A 53 -15.445 -36.092 5.642 1.00 0.00 C ATOM 755 OG1 THR A 53 -15.824 -36.536 4.335 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.052 -36.605 5.974 1.00 0.00 C ATOM 0 H THR A 53 -17.909 -35.713 5.426 1.00 0.00 H new ATOM 0 HA THR A 53 -16.492 -37.669 6.676 1.00 0.00 H new ATOM 0 HB THR A 53 -15.428 -35.002 5.664 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.167 -36.221 3.679 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.345 -36.248 5.225 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.755 -36.240 6.957 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.057 -37.695 5.978 1.00 0.00 H new ATOM 764 N ASP A 54 -15.850 -37.027 8.982 1.00 0.00 N ATOM 765 CA ASP A 54 -15.443 -36.691 10.342 1.00 0.00 C ATOM 766 C ASP A 54 -13.983 -36.251 10.378 1.00 0.00 C ATOM 767 O ASP A 54 -13.110 -36.913 9.819 1.00 0.00 O ATOM 768 CB ASP A 54 -15.651 -37.888 11.270 1.00 0.00 C ATOM 769 CG ASP A 54 -14.744 -39.053 10.925 1.00 0.00 C ATOM 770 OD1 ASP A 54 -14.584 -39.344 9.722 1.00 0.00 O ATOM 771 OD2 ASP A 54 -14.195 -39.675 11.859 1.00 0.00 O ATOM 0 H ASP A 54 -15.963 -38.026 8.811 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.062 -35.863 10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.468 -37.582 12.300 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.690 -38.211 11.214 1.00 0.00 H new ATOM 776 N GLY A 55 -13.725 -35.127 11.041 1.00 0.00 N ATOM 777 CA GLY A 55 -12.370 -34.617 11.137 1.00 0.00 C ATOM 778 C GLY A 55 -11.816 -34.186 9.793 1.00 0.00 C ATOM 779 O GLY A 55 -10.611 -34.270 9.555 1.00 0.00 O ATOM 0 H GLY A 55 -14.430 -34.561 11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.352 -33.770 11.823 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.725 -35.386 11.563 1.00 0.00 H new ATOM 783 N ALA A 56 -12.697 -33.723 8.913 1.00 0.00 N ATOM 784 CA ALA A 56 -12.289 -33.277 7.586 1.00 0.00 C ATOM 785 C ALA A 56 -11.956 -31.789 7.586 1.00 0.00 C ATOM 786 O ALA A 56 -11.035 -31.349 6.898 1.00 0.00 O ATOM 787 CB ALA A 56 -13.381 -33.576 6.570 1.00 0.00 C ATOM 0 H ALA A 56 -13.698 -33.647 9.095 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.389 -33.824 7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.063 -33.238 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.568 -34.649 6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.295 -33.055 6.855 1.00 0.00 H new ATOM 793 N ALA A 57 -12.712 -31.018 8.361 1.00 0.00 N ATOM 794 CA ALA A 57 -12.496 -29.579 8.451 1.00 0.00 C ATOM 795 C ALA A 57 -11.079 -29.265 8.919 1.00 0.00 C ATOM 796 O ALA A 57 -10.683 -29.635 10.025 1.00 0.00 O ATOM 797 CB ALA A 57 -13.515 -28.950 9.389 1.00 0.00 C ATOM 0 H ALA A 57 -13.480 -31.366 8.936 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.624 -29.154 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.342 -27.875 9.447 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.520 -29.136 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.414 -29.388 10.382 1.00 0.00 H new ATOM 803 N VAL A 58 -10.318 -28.581 8.070 1.00 0.00 N ATOM 804 CA VAL A 58 -8.944 -28.217 8.397 1.00 0.00 C ATOM 805 C VAL A 58 -8.849 -26.756 8.821 1.00 0.00 C ATOM 806 O VAL A 58 -8.030 -26.396 9.665 1.00 0.00 O ATOM 807 CB VAL A 58 -8.001 -28.456 7.203 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.129 -29.886 6.699 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.290 -27.462 6.089 1.00 0.00 C ATOM 0 H VAL A 58 -10.630 -28.268 7.151 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.636 -28.854 9.226 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.975 -28.304 7.537 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.455 -30.036 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.868 -30.579 7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.155 -30.069 6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.615 -27.645 5.253 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.321 -27.580 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.142 -26.448 6.459 1.00 0.00 H new ATOM 819 N GLY A 59 -9.695 -25.917 8.230 1.00 0.00 N ATOM 820 CA GLY A 59 -9.690 -24.504 8.560 1.00 0.00 C ATOM 821 C GLY A 59 -11.008 -23.829 8.234 1.00 0.00 C ATOM 822 O GLY A 59 -11.924 -24.462 7.709 1.00 0.00 O ATOM 0 H GLY A 59 -10.383 -26.191 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.476 -24.383 9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.887 -24.009 8.014 1.00 0.00 H new ATOM 826 N ILE A 60 -11.104 -22.541 8.549 1.00 0.00 N ATOM 827 CA ILE A 60 -12.320 -21.781 8.287 1.00 0.00 C ATOM 828 C ILE A 60 -12.071 -20.684 7.258 1.00 0.00 C ATOM 829 O ILE A 60 -11.114 -19.917 7.371 1.00 0.00 O ATOM 830 CB ILE A 60 -12.874 -21.144 9.576 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.904 -22.173 10.707 1.00 0.00 C ATOM 832 CG2 ILE A 60 -14.264 -20.576 9.331 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.828 -21.557 12.087 1.00 0.00 C ATOM 0 H ILE A 60 -10.355 -22.003 8.985 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.054 -22.485 7.894 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.216 -20.327 9.872 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.820 -22.759 10.630 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.071 -22.865 10.580 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.642 -20.130 10.251 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.214 -19.815 8.552 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.933 -21.376 9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -12.854 -22.345 12.839 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.900 -20.994 12.184 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.675 -20.887 12.234 1.00 0.00 H new ATOM 845 N LEU A 61 -12.939 -20.614 6.255 1.00 0.00 N ATOM 846 CA LEU A 61 -12.815 -19.609 5.204 1.00 0.00 C ATOM 847 C LEU A 61 -12.995 -18.204 5.771 1.00 0.00 C ATOM 848 O LEU A 61 -14.018 -17.897 6.382 1.00 0.00 O ATOM 849 CB LEU A 61 -13.847 -19.863 4.104 1.00 0.00 C ATOM 850 CG LEU A 61 -13.425 -19.476 2.686 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.633 -19.428 1.764 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.702 -18.137 2.691 1.00 0.00 C ATOM 0 H LEU A 61 -13.736 -21.241 6.147 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.814 -19.684 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.101 -20.923 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.756 -19.316 4.353 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.738 -20.235 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.313 -19.151 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.109 -20.408 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.345 -18.690 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.409 -17.878 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.365 -17.367 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.813 -18.206 3.318 1.00 0.00 H new ATOM 864 N ALA A 62 -11.995 -17.355 5.561 1.00 0.00 N ATOM 865 CA ALA A 62 -12.045 -15.981 6.047 1.00 0.00 C ATOM 866 C ALA A 62 -12.944 -15.120 5.167 1.00 0.00 C ATOM 867 O ALA A 62 -13.777 -14.362 5.666 1.00 0.00 O ATOM 868 CB ALA A 62 -10.643 -15.392 6.109 1.00 0.00 C ATOM 0 H ALA A 62 -11.140 -17.594 5.058 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.467 -15.992 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.695 -14.366 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.028 -15.986 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.200 -15.401 5.113 1.00 0.00 H new ATOM 874 N VAL A 63 -12.771 -15.240 3.854 1.00 0.00 N ATOM 875 CA VAL A 63 -13.567 -14.472 2.905 1.00 0.00 C ATOM 876 C VAL A 63 -14.249 -15.387 1.894 1.00 0.00 C ATOM 877 O VAL A 63 -13.592 -16.165 1.203 1.00 0.00 O ATOM 878 CB VAL A 63 -12.703 -13.445 2.149 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.558 -12.632 1.189 1.00 0.00 C ATOM 880 CG2 VAL A 63 -11.977 -12.536 3.130 1.00 0.00 C ATOM 0 H VAL A 63 -12.086 -15.862 3.424 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.325 -13.943 3.483 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.956 -13.983 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.931 -11.912 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.028 -13.299 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.329 -12.102 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.371 -11.816 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.706 -12.004 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.333 -13.136 3.773 1.00 0.00 H new ATOM 890 N ALA A 64 -15.572 -15.288 1.813 1.00 0.00 N ATOM 891 CA ALA A 64 -16.344 -16.105 0.885 1.00 0.00 C ATOM 892 C ALA A 64 -15.598 -16.293 -0.432 1.00 0.00 C ATOM 893 O ALA A 64 -14.894 -15.394 -0.891 1.00 0.00 O ATOM 894 CB ALA A 64 -17.707 -15.476 0.636 1.00 0.00 C ATOM 0 H ALA A 64 -16.131 -14.650 2.379 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.486 -17.087 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.273 -16.097 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.250 -15.399 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.576 -14.481 0.210 1.00 0.00 H new ATOM 900 N ALA A 65 -15.757 -17.467 -1.034 1.00 0.00 N ATOM 901 CA ALA A 65 -15.100 -17.772 -2.299 1.00 0.00 C ATOM 902 C ALA A 65 -16.004 -18.604 -3.201 1.00 0.00 C ATOM 903 O ALA A 65 -17.160 -18.864 -2.867 1.00 0.00 O ATOM 904 CB ALA A 65 -13.787 -18.500 -2.049 1.00 0.00 C ATOM 0 H ALA A 65 -16.335 -18.222 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.891 -16.831 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.307 -18.722 -3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.130 -17.870 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.983 -19.431 -1.516 1.00 0.00 H new ATOM 910 N ASP A 66 -15.471 -19.018 -4.346 1.00 0.00 N ATOM 911 CA ASP A 66 -16.231 -19.822 -5.296 1.00 0.00 C ATOM 912 C ASP A 66 -15.300 -20.667 -6.160 1.00 0.00 C ATOM 913 O ASP A 66 -14.081 -20.505 -6.116 1.00 0.00 O ATOM 914 CB ASP A 66 -17.092 -18.922 -6.184 1.00 0.00 C ATOM 915 CG ASP A 66 -16.431 -17.588 -6.471 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.184 -17.547 -6.538 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.159 -16.586 -6.629 1.00 0.00 O ATOM 0 H ASP A 66 -14.516 -18.810 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.880 -20.491 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.296 -19.433 -7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.053 -18.751 -5.699 1.00 0.00 H new ATOM 922 N GLN A 67 -15.883 -21.569 -6.942 1.00 0.00 N ATOM 923 CA GLN A 67 -15.104 -22.441 -7.814 1.00 0.00 C ATOM 924 C GLN A 67 -14.234 -21.624 -8.763 1.00 0.00 C ATOM 925 O GLN A 67 -13.190 -22.090 -9.223 1.00 0.00 O ATOM 926 CB GLN A 67 -16.032 -23.357 -8.614 1.00 0.00 C ATOM 927 CG GLN A 67 -17.141 -22.615 -9.342 1.00 0.00 C ATOM 928 CD GLN A 67 -16.686 -22.038 -10.667 1.00 0.00 C ATOM 929 OE1 GLN A 67 -17.025 -20.778 -10.913 1.00 0.00 O flip ATOM 930 NE2 GLN A 67 -16.035 -22.717 -11.463 1.00 0.00 N flip ATOM 0 H GLN A 67 -16.891 -21.716 -6.990 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.453 -23.052 -7.189 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.441 -23.914 -9.341 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.478 -24.088 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.976 -23.295 -9.514 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.511 -21.810 -8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.796 -23.682 -11.234 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.735 -22.314 -12.351 1.00 0.00 H new ATOM 939 N THR A 68 -14.669 -20.402 -9.055 1.00 0.00 N ATOM 940 CA THR A 68 -13.931 -19.521 -9.951 1.00 0.00 C ATOM 941 C THR A 68 -12.785 -18.830 -9.221 1.00 0.00 C ATOM 942 O THR A 68 -12.064 -18.020 -9.804 1.00 0.00 O ATOM 943 CB THR A 68 -14.850 -18.452 -10.570 1.00 0.00 C ATOM 944 OG1 THR A 68 -14.190 -17.816 -11.670 1.00 0.00 O ATOM 945 CG2 THR A 68 -15.239 -17.408 -9.534 1.00 0.00 C ATOM 0 H THR A 68 -15.530 -20.000 -8.683 1.00 0.00 H new ATOM 0 HA THR A 68 -13.526 -20.146 -10.747 1.00 0.00 H new ATOM 0 HB THR A 68 -15.755 -18.944 -10.925 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.251 -17.657 -11.440 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.888 -16.663 -9.994 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.767 -17.891 -8.711 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.341 -16.921 -9.153 1.00 0.00 H new ATOM 953 N SER A 69 -12.622 -19.155 -7.942 1.00 0.00 N ATOM 954 CA SER A 69 -11.565 -18.562 -7.132 1.00 0.00 C ATOM 955 C SER A 69 -10.251 -19.315 -7.318 1.00 0.00 C ATOM 956 O SER A 69 -10.135 -20.486 -6.957 1.00 0.00 O ATOM 957 CB SER A 69 -11.962 -18.566 -5.655 1.00 0.00 C ATOM 958 OG SER A 69 -11.192 -17.633 -4.916 1.00 0.00 O ATOM 0 H SER A 69 -13.208 -19.825 -7.445 1.00 0.00 H new ATOM 0 HA SER A 69 -11.424 -17.532 -7.461 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.021 -18.325 -5.559 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.824 -19.565 -5.241 1.00 0.00 H new ATOM 0 HG SER A 69 -10.442 -18.095 -4.487 1.00 0.00 H new ATOM 964 N THR A 70 -9.260 -18.633 -7.885 1.00 0.00 N ATOM 965 CA THR A 70 -7.954 -19.235 -8.122 1.00 0.00 C ATOM 966 C THR A 70 -7.199 -19.441 -6.814 1.00 0.00 C ATOM 967 O THR A 70 -6.166 -20.110 -6.779 1.00 0.00 O ATOM 968 CB THR A 70 -7.098 -18.369 -9.064 1.00 0.00 C ATOM 969 OG1 THR A 70 -7.887 -17.926 -10.175 1.00 0.00 O ATOM 970 CG2 THR A 70 -5.894 -19.147 -9.570 1.00 0.00 C ATOM 0 H THR A 70 -9.338 -17.662 -8.189 1.00 0.00 H new ATOM 0 HA THR A 70 -8.133 -20.202 -8.592 1.00 0.00 H new ATOM 0 HB THR A 70 -6.742 -17.505 -8.503 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.336 -17.374 -10.768 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.305 -18.514 -10.234 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.280 -19.457 -8.725 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.233 -20.028 -10.115 1.00 0.00 H new ATOM 978 N THR A 71 -7.721 -18.862 -5.736 1.00 0.00 N ATOM 979 CA THR A 71 -7.096 -18.982 -4.425 1.00 0.00 C ATOM 980 C THR A 71 -8.109 -18.749 -3.310 1.00 0.00 C ATOM 981 O THR A 71 -8.976 -17.881 -3.416 1.00 0.00 O ATOM 982 CB THR A 71 -5.934 -17.985 -4.264 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.956 -18.203 -5.287 1.00 0.00 O ATOM 984 CG2 THR A 71 -5.284 -18.127 -2.896 1.00 0.00 C ATOM 0 H THR A 71 -8.576 -18.305 -5.746 1.00 0.00 H new ATOM 0 HA THR A 71 -6.706 -19.997 -4.352 1.00 0.00 H new ATOM 0 HB THR A 71 -6.336 -16.976 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.221 -17.564 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.466 -17.412 -2.806 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.024 -17.932 -2.120 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.896 -19.139 -2.781 1.00 0.00 H new ATOM 992 N LEU A 72 -7.993 -19.529 -2.241 1.00 0.00 N ATOM 993 CA LEU A 72 -8.899 -19.407 -1.104 1.00 0.00 C ATOM 994 C LEU A 72 -8.148 -18.955 0.145 1.00 0.00 C ATOM 995 O LEU A 72 -7.131 -19.541 0.518 1.00 0.00 O ATOM 996 CB LEU A 72 -9.597 -20.742 -0.837 1.00 0.00 C ATOM 997 CG LEU A 72 -10.411 -21.317 -1.997 1.00 0.00 C ATOM 998 CD1 LEU A 72 -10.949 -22.694 -1.640 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.550 -20.377 -2.367 1.00 0.00 C ATOM 0 H LEU A 72 -7.281 -20.252 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.648 -18.654 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.841 -21.474 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.260 -20.618 0.019 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.755 -21.418 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.526 -23.088 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.117 -23.365 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.590 -22.618 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.119 -20.802 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.206 -20.244 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.142 -19.411 -2.666 1.00 0.00 H new ATOM 1011 N THR A 73 -8.657 -17.909 0.789 1.00 0.00 N ATOM 1012 CA THR A 73 -8.036 -17.379 1.996 1.00 0.00 C ATOM 1013 C THR A 73 -8.767 -17.855 3.246 1.00 0.00 C ATOM 1014 O THR A 73 -9.782 -17.281 3.640 1.00 0.00 O ATOM 1015 CB THR A 73 -8.012 -15.839 1.985 1.00 0.00 C ATOM 1016 OG1 THR A 73 -7.463 -15.366 0.750 1.00 0.00 O ATOM 1017 CG2 THR A 73 -7.192 -15.302 3.149 1.00 0.00 C ATOM 0 H THR A 73 -9.498 -17.412 0.494 1.00 0.00 H new ATOM 0 HA THR A 73 -7.012 -17.752 2.014 1.00 0.00 H new ATOM 0 HB THR A 73 -9.037 -15.481 2.087 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.453 -14.386 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.190 -14.212 3.120 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.630 -15.639 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.169 -15.669 3.073 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.245 -18.908 3.866 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.849 -19.463 5.072 1.00 0.00 C ATOM 1027 C PHE A 74 -7.866 -19.428 6.238 1.00 0.00 C ATOM 1028 O PHE A 74 -6.652 -19.385 6.039 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.311 -20.900 4.822 1.00 0.00 C ATOM 1030 CG PHE A 74 -8.180 -21.863 4.602 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.484 -21.872 3.404 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.814 -22.760 5.592 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.442 -22.758 3.198 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.773 -23.647 5.393 1.00 0.00 C ATOM 1035 CZ PHE A 74 -6.087 -23.647 4.194 1.00 0.00 C ATOM 0 H PHE A 74 -7.405 -19.394 3.553 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.713 -18.851 5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.903 -21.236 5.673 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.966 -20.916 3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.758 -21.179 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.348 -22.766 6.530 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.907 -22.755 2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.496 -24.339 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.275 -24.341 4.036 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.399 -19.446 7.454 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.570 -19.413 8.653 1.00 0.00 C ATOM 1047 C TYR A 75 -6.820 -20.730 8.832 1.00 0.00 C ATOM 1048 O TYR A 75 -6.995 -21.669 8.056 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.430 -19.132 9.886 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.769 -17.669 10.067 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.901 -16.812 10.733 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.957 -17.144 9.573 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -8.207 -15.476 10.901 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -10.269 -15.809 9.735 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.392 -14.978 10.400 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.700 -13.648 10.565 1.00 0.00 O ATOM 0 H TYR A 75 -9.402 -19.483 7.636 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.840 -18.612 8.537 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.355 -19.704 9.812 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.906 -19.487 10.773 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.972 -17.197 11.126 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.648 -17.791 9.054 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.522 -14.824 11.422 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.196 -15.417 9.343 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.569 -13.460 10.153 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.984 -20.791 9.863 1.00 0.00 N ATOM 1067 CA LYS A 76 -5.207 -21.991 10.148 1.00 0.00 C ATOM 1068 C LYS A 76 -5.394 -22.429 11.598 1.00 0.00 C ATOM 1069 O LYS A 76 -5.330 -23.618 11.910 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.723 -21.742 9.868 1.00 0.00 C ATOM 1071 CG LYS A 76 -3.165 -20.523 10.583 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.607 -20.885 11.949 1.00 0.00 C ATOM 1073 CE LYS A 76 -1.702 -19.789 12.489 1.00 0.00 C ATOM 1074 NZ LYS A 76 -2.472 -18.741 13.215 1.00 0.00 N ATOM 0 H LYS A 76 -5.827 -20.023 10.515 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.565 -22.788 9.496 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.153 -22.621 10.168 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.580 -21.620 8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.380 -20.072 9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.950 -19.775 10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.428 -21.056 12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.048 -21.818 11.879 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.963 -20.226 13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.154 -19.332 11.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.819 -18.012 13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.160 -18.306 12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.975 -19.172 14.017 1.00 0.00 H new ATOM 1088 N SER A 77 -5.628 -21.461 12.478 1.00 0.00 N ATOM 1089 CA SER A 77 -5.823 -21.746 13.895 1.00 0.00 C ATOM 1090 C SER A 77 -6.427 -20.543 14.613 1.00 0.00 C ATOM 1091 O SER A 77 -6.688 -19.508 14.002 1.00 0.00 O ATOM 1092 CB SER A 77 -4.493 -22.130 14.547 1.00 0.00 C ATOM 1093 OG SER A 77 -4.691 -22.601 15.869 1.00 0.00 O ATOM 0 H SER A 77 -5.687 -20.472 12.235 1.00 0.00 H new ATOM 0 HA SER A 77 -6.516 -22.583 13.980 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.002 -22.901 13.953 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.828 -21.266 14.561 1.00 0.00 H new ATOM 0 HG SER A 77 -5.403 -23.275 15.873 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.645 -20.689 15.917 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.217 -19.608 16.698 1.00 0.00 C ATOM 1101 C GLY A 78 -8.618 -19.922 17.185 1.00 0.00 C ATOM 1102 O GLY A 78 -9.278 -20.821 16.663 1.00 0.00 O ATOM 0 H GLY A 78 -6.436 -21.536 16.446 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.575 -19.404 17.555 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.240 -18.701 16.094 1.00 0.00 H new ATOM 1106 N THR A 79 -9.074 -19.180 18.190 1.00 0.00 N ATOM 1107 CA THR A 79 -10.404 -19.386 18.749 1.00 0.00 C ATOM 1108 C THR A 79 -11.476 -18.775 17.855 1.00 0.00 C ATOM 1109 O THR A 79 -11.497 -17.564 17.632 1.00 0.00 O ATOM 1110 CB THR A 79 -10.520 -18.778 20.160 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.444 -19.242 20.983 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.850 -19.146 20.800 1.00 0.00 C ATOM 0 H THR A 79 -8.541 -18.431 18.633 1.00 0.00 H new ATOM 0 HA THR A 79 -10.558 -20.463 18.812 1.00 0.00 H new ATOM 0 HB THR A 79 -10.466 -17.693 20.070 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.524 -18.850 21.878 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.909 -18.706 21.795 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.667 -18.766 20.186 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.929 -20.230 20.878 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.367 -19.619 17.346 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.444 -19.161 16.475 1.00 0.00 C ATOM 1122 C PHE A 80 -14.807 -19.453 17.097 1.00 0.00 C ATOM 1123 O PHE A 80 -14.946 -20.361 17.916 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.341 -19.834 15.105 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.116 -19.437 14.333 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -12.108 -18.282 13.567 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -10.972 -20.218 14.373 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -10.982 -17.915 12.854 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -9.843 -19.856 13.663 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.848 -18.702 12.903 1.00 0.00 C ATOM 0 H PHE A 80 -12.365 -20.624 17.521 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.344 -18.083 16.351 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.341 -20.916 15.240 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.226 -19.585 14.519 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -12.991 -17.662 13.527 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.963 -21.120 14.966 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.989 -17.014 12.259 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.958 -20.474 13.702 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.967 -18.416 12.348 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.809 -18.675 16.701 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.161 -18.848 17.219 1.00 0.00 C ATOM 1142 C ARG A 81 -17.930 -19.879 16.399 1.00 0.00 C ATOM 1143 O ARG A 81 -17.970 -19.807 15.171 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.908 -17.513 17.210 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.491 -16.573 18.329 1.00 0.00 C ATOM 1146 CD ARG A 81 -16.166 -15.892 18.020 1.00 0.00 C ATOM 1147 NE ARG A 81 -16.272 -14.979 16.886 1.00 0.00 N ATOM 1148 CZ ARG A 81 -15.237 -14.610 16.140 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -14.024 -15.074 16.408 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -15.413 -13.774 15.124 1.00 0.00 N ATOM 0 H ARG A 81 -15.710 -17.919 16.023 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.087 -19.208 18.245 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.742 -17.020 16.252 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.978 -17.705 17.288 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.263 -15.818 18.478 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.406 -17.131 19.262 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.828 -15.342 18.898 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.411 -16.648 17.807 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.192 -14.604 16.654 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.884 -15.716 17.188 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.231 -14.789 15.834 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.344 -13.414 14.915 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.617 -13.492 14.552 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.540 -20.839 17.087 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.305 -21.887 16.423 1.00 0.00 C ATOM 1166 C TYR A 82 -20.667 -21.366 15.975 1.00 0.00 C ATOM 1167 O TYR A 82 -21.156 -21.718 14.902 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.487 -23.084 17.357 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.679 -23.948 17.010 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.975 -23.477 17.178 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.508 -25.234 16.512 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -23.067 -24.263 16.863 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.594 -26.026 16.193 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.871 -25.536 16.370 1.00 0.00 C ATOM 1175 OH TYR A 82 -23.956 -26.322 16.054 1.00 0.00 O ATOM 0 H TYR A 82 -18.519 -20.912 18.104 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.749 -22.204 15.541 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.585 -23.696 17.330 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.596 -22.723 18.380 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.132 -22.480 17.561 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.509 -25.621 16.372 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -24.068 -23.883 17.002 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.444 -27.023 15.807 1.00 0.00 H new ATOM 0 HH TYR A 82 -24.401 -25.961 15.259 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.274 -20.524 16.805 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.580 -19.954 16.495 1.00 0.00 C ATOM 1187 C GLU A 83 -22.540 -19.188 15.176 1.00 0.00 C ATOM 1188 O GLU A 83 -23.540 -19.107 14.462 1.00 0.00 O ATOM 1189 CB GLU A 83 -23.037 -19.027 17.623 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.210 -17.757 17.740 1.00 0.00 C ATOM 1191 CD GLU A 83 -22.789 -16.774 18.739 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -22.583 -16.972 19.955 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -23.447 -15.806 18.305 1.00 0.00 O ATOM 0 H GLU A 83 -20.883 -20.221 17.697 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.292 -20.773 16.397 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -24.080 -18.757 17.460 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -22.992 -19.569 18.568 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -21.194 -18.016 18.038 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -22.144 -17.279 16.762 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.378 -18.627 14.860 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.206 -17.867 13.627 1.00 0.00 C ATOM 1202 C ASP A 84 -20.863 -18.791 12.463 1.00 0.00 C ATOM 1203 O ASP A 84 -21.435 -18.680 11.379 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.110 -16.815 13.800 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.292 -15.631 12.870 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -20.071 -15.794 11.652 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -20.657 -14.543 13.361 1.00 0.00 O ATOM 0 H ASP A 84 -20.541 -18.684 15.440 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.148 -17.365 13.404 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.106 -16.465 14.832 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.138 -17.273 13.615 1.00 0.00 H new ATOM 1212 N VAL A 85 -19.924 -19.703 12.695 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.504 -20.647 11.666 1.00 0.00 C ATOM 1214 C VAL A 85 -20.705 -21.338 11.031 1.00 0.00 C ATOM 1215 O VAL A 85 -21.402 -22.118 11.682 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.553 -21.715 12.239 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.243 -22.772 11.190 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.275 -21.071 12.752 1.00 0.00 C ATOM 0 H VAL A 85 -19.440 -19.808 13.587 1.00 0.00 H new ATOM 0 HA VAL A 85 -18.976 -20.072 10.905 1.00 0.00 H new ATOM 0 HB VAL A 85 -19.048 -22.204 13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.570 -23.518 11.613 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.168 -23.255 10.876 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.768 -22.302 10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.615 -21.841 13.153 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.774 -20.554 11.933 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.518 -20.356 13.538 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.941 -21.049 9.756 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.058 -21.644 9.031 1.00 0.00 C ATOM 1230 C LEU A 86 -21.753 -23.089 8.650 1.00 0.00 C ATOM 1231 O LEU A 86 -21.397 -23.378 7.508 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.368 -20.828 7.775 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.821 -20.855 7.298 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -24.091 -19.705 6.341 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.140 -22.188 6.637 1.00 0.00 C ATOM 0 H LEU A 86 -20.374 -20.406 9.203 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.929 -21.637 9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -22.087 -19.791 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.734 -21.190 6.965 1.00 0.00 H new ATOM 0 HG LEU A 86 -24.470 -20.737 8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -25.130 -19.741 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -23.903 -18.758 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.434 -19.790 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.178 -22.190 6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -23.483 -22.335 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -23.988 -22.995 7.354 1.00 0.00 H new ATOM 1247 N TRP A 87 -21.897 -23.992 9.614 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.639 -25.408 9.378 1.00 0.00 C ATOM 1249 C TRP A 87 -22.650 -25.990 8.397 1.00 0.00 C ATOM 1250 O TRP A 87 -23.786 -25.526 8.291 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.686 -26.182 10.697 1.00 0.00 C ATOM 1252 CG TRP A 87 -20.934 -25.511 11.806 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.384 -24.503 12.609 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.598 -25.800 12.233 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.409 -24.147 13.510 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.304 -24.929 13.300 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.623 -26.712 11.820 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -18.076 -24.944 13.956 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.404 -26.725 12.471 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.139 -25.846 13.530 1.00 0.00 C ATOM 0 H TRP A 87 -22.191 -23.769 10.565 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.644 -25.503 8.944 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.726 -26.310 10.998 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.275 -27.179 10.540 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.363 -24.051 12.546 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.494 -23.419 14.219 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.819 -27.395 11.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.870 -24.268 14.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.643 -27.424 12.158 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.177 -25.881 14.019 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.231 -27.029 7.660 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.086 -27.697 6.675 1.00 0.00 C ATOM 1273 C PRO A 88 -24.215 -28.488 7.327 1.00 0.00 C ATOM 1274 O PRO A 88 -24.045 -29.052 8.408 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.122 -28.640 5.949 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.034 -28.898 6.933 1.00 0.00 C ATOM 1277 CD PRO A 88 -20.890 -27.634 7.734 1.00 0.00 C ATOM 0 HA PRO A 88 -23.583 -26.984 6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.618 -29.565 5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.733 -28.185 5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.283 -29.742 7.577 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.101 -29.147 6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.599 -27.842 8.764 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.129 -26.977 7.314 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.366 -28.526 6.664 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.522 -29.248 7.181 1.00 0.00 C ATOM 1287 C GLU A 89 -26.244 -30.747 7.242 1.00 0.00 C ATOM 1288 O GLU A 89 -26.678 -31.432 8.168 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.751 -28.981 6.309 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.600 -29.471 4.879 1.00 0.00 C ATOM 1291 CD GLU A 89 -28.894 -29.386 4.094 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -29.764 -30.261 4.285 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -29.037 -28.442 3.287 1.00 0.00 O ATOM 0 H GLU A 89 -25.523 -28.065 5.768 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.719 -28.891 8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.618 -29.464 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -27.952 -27.910 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -26.834 -28.881 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.252 -30.504 4.888 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.518 -31.249 6.249 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.181 -32.666 6.190 1.00 0.00 C ATOM 1302 C ALA A 90 -24.970 -33.239 7.587 1.00 0.00 C ATOM 1303 O ALA A 90 -25.462 -34.321 7.905 1.00 0.00 O ATOM 1304 CB ALA A 90 -23.939 -32.878 5.337 1.00 0.00 C ATOM 0 H ALA A 90 -25.152 -30.696 5.474 1.00 0.00 H new ATOM 0 HA ALA A 90 -26.017 -33.194 5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.699 -33.941 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.125 -32.514 4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.102 -32.331 5.771 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.234 -32.507 8.417 1.00 0.00 N ATOM 1311 CA ALA A 91 -23.959 -32.942 9.780 1.00 0.00 C ATOM 1312 C ALA A 91 -25.213 -32.867 10.644 1.00 0.00 C ATOM 1313 O ALA A 91 -25.675 -31.780 10.991 1.00 0.00 O ATOM 1314 CB ALA A 91 -22.846 -32.101 10.388 1.00 0.00 C ATOM 0 H ALA A 91 -23.818 -31.610 8.169 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.636 -33.982 9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.651 -32.437 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -21.941 -32.209 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.148 -31.054 10.403 1.00 0.00 H new ATOM 1320 N SER A 92 -25.760 -34.029 10.987 1.00 0.00 N ATOM 1321 CA SER A 92 -26.964 -34.094 11.807 1.00 0.00 C ATOM 1322 C SER A 92 -26.640 -33.815 13.272 1.00 0.00 C ATOM 1323 O SER A 92 -27.449 -33.238 13.999 1.00 0.00 O ATOM 1324 CB SER A 92 -27.625 -35.467 11.672 1.00 0.00 C ATOM 1325 OG SER A 92 -29.028 -35.378 11.851 1.00 0.00 O ATOM 0 H SER A 92 -25.389 -34.938 10.710 1.00 0.00 H new ATOM 0 HA SER A 92 -27.656 -33.329 11.454 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.407 -35.884 10.689 1.00 0.00 H new ATOM 0 HB3 SER A 92 -27.204 -36.151 12.409 1.00 0.00 H new ATOM 0 HG SER A 92 -29.427 -36.268 11.758 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.452 -34.229 13.697 1.00 0.00 N ATOM 1332 CA ASP A 93 -25.019 -34.024 15.074 1.00 0.00 C ATOM 1333 C ASP A 93 -24.308 -32.682 15.226 1.00 0.00 C ATOM 1334 O ASP A 93 -23.306 -32.422 14.562 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.092 -35.158 15.515 1.00 0.00 C ATOM 1336 CG ASP A 93 -23.439 -34.885 16.856 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -24.074 -34.218 17.699 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -22.293 -35.338 17.061 1.00 0.00 O ATOM 0 H ASP A 93 -24.771 -34.709 13.108 1.00 0.00 H new ATOM 0 HA ASP A 93 -25.904 -34.021 15.710 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.661 -36.086 15.574 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.319 -35.305 14.761 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.836 -31.835 16.104 1.00 0.00 N ATOM 1344 CA GLU A 94 -24.252 -30.520 16.341 1.00 0.00 C ATOM 1345 C GLU A 94 -22.886 -30.643 17.010 1.00 0.00 C ATOM 1346 O GLU A 94 -22.045 -29.750 16.900 1.00 0.00 O ATOM 1347 CB GLU A 94 -25.184 -29.673 17.211 1.00 0.00 C ATOM 1348 CG GLU A 94 -25.166 -30.063 18.680 1.00 0.00 C ATOM 1349 CD GLU A 94 -26.211 -29.322 19.492 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -27.387 -29.740 19.467 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -25.852 -28.325 20.153 1.00 0.00 O ATOM 0 H GLU A 94 -25.666 -32.036 16.662 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.121 -30.030 15.376 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.901 -28.625 17.118 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -26.202 -29.763 16.832 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -25.335 -31.136 18.770 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -24.178 -29.860 19.094 1.00 0.00 H new ATOM 1358 N THR A 95 -22.672 -31.756 17.705 1.00 0.00 N ATOM 1359 CA THR A 95 -21.410 -31.997 18.393 1.00 0.00 C ATOM 1360 C THR A 95 -20.357 -32.542 17.436 1.00 0.00 C ATOM 1361 O THR A 95 -19.159 -32.485 17.716 1.00 0.00 O ATOM 1362 CB THR A 95 -21.587 -32.986 19.561 1.00 0.00 C ATOM 1363 OG1 THR A 95 -22.650 -32.550 20.415 1.00 0.00 O ATOM 1364 CG2 THR A 95 -20.302 -33.109 20.365 1.00 0.00 C ATOM 0 H THR A 95 -23.357 -32.505 17.806 1.00 0.00 H new ATOM 0 HA THR A 95 -21.077 -31.037 18.787 1.00 0.00 H new ATOM 0 HB THR A 95 -21.832 -33.964 19.146 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.757 -33.185 21.154 1.00 0.00 H new ATOM 0 HG21 THR A 95 -20.451 -33.812 21.184 1.00 0.00 H new ATOM 0 HG22 THR A 95 -19.501 -33.469 19.719 1.00 0.00 H new ATOM 0 HG23 THR A 95 -20.031 -32.134 20.769 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.810 -33.070 16.304 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.906 -33.624 15.302 1.00 0.00 C ATOM 1374 C LYS A 96 -19.357 -32.526 14.398 1.00 0.00 C ATOM 1375 O LYS A 96 -18.183 -32.541 14.027 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.629 -34.679 14.461 1.00 0.00 C ATOM 1377 CG LYS A 96 -19.696 -35.525 13.613 1.00 0.00 C ATOM 1378 CD LYS A 96 -20.442 -36.652 12.918 1.00 0.00 C ATOM 1379 CE LYS A 96 -19.483 -37.686 12.347 1.00 0.00 C ATOM 1380 NZ LYS A 96 -19.071 -38.686 13.370 1.00 0.00 N ATOM 0 H LYS A 96 -21.798 -33.126 16.057 1.00 0.00 H new ATOM 0 HA LYS A 96 -19.071 -34.093 15.822 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.197 -35.332 15.123 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -21.348 -34.182 13.810 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -19.209 -34.896 12.868 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -18.909 -35.942 14.242 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -21.118 -37.133 13.625 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -21.057 -36.243 12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.957 -38.198 11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.599 -37.183 11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.418 -39.373 12.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.595 -38.201 14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.911 -39.184 13.727 1.00 0.00 H new ATOM 1394 N LYS A 97 -20.213 -31.572 14.046 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.813 -30.464 13.187 1.00 0.00 C ATOM 1396 C LYS A 97 -18.827 -29.548 13.904 1.00 0.00 C ATOM 1397 O LYS A 97 -17.838 -29.105 13.319 1.00 0.00 O ATOM 1398 CB LYS A 97 -21.042 -29.664 12.747 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.924 -29.222 13.901 1.00 0.00 C ATOM 1400 CD LYS A 97 -23.010 -28.265 13.438 1.00 0.00 C ATOM 1401 CE LYS A 97 -24.223 -29.013 12.906 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.957 -28.221 11.881 1.00 0.00 N ATOM 0 H LYS A 97 -21.188 -31.544 14.343 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.322 -30.878 12.306 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.714 -28.784 12.194 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -21.633 -30.270 12.060 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -22.381 -30.095 14.366 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -21.313 -28.739 14.663 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -23.311 -27.626 14.268 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.614 -27.612 12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -23.904 -29.961 12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -24.894 -29.250 13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.777 -28.765 11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -25.284 -27.328 12.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -24.324 -28.017 11.082 1.00 0.00 H new ATOM 1416 N ARG A 98 -19.102 -29.268 15.174 1.00 0.00 N ATOM 1417 CA ARG A 98 -18.239 -28.404 15.971 1.00 0.00 C ATOM 1418 C ARG A 98 -16.901 -29.083 16.251 1.00 0.00 C ATOM 1419 O ARG A 98 -15.876 -28.419 16.409 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.924 -28.039 17.289 1.00 0.00 C ATOM 1421 CG ARG A 98 -19.170 -29.231 18.198 1.00 0.00 C ATOM 1422 CD ARG A 98 -19.814 -28.808 19.509 1.00 0.00 C ATOM 1423 NE ARG A 98 -18.935 -27.950 20.299 1.00 0.00 N ATOM 1424 CZ ARG A 98 -18.849 -26.635 20.135 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -19.587 -26.029 19.214 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -18.025 -25.922 20.892 1.00 0.00 N ATOM 0 H ARG A 98 -19.916 -29.627 15.673 1.00 0.00 H new ATOM 0 HA ARG A 98 -18.053 -27.493 15.402 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -18.310 -27.310 17.818 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -19.877 -27.556 17.072 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -19.813 -29.950 17.691 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -18.226 -29.736 18.401 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -20.745 -28.280 19.302 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -20.072 -29.694 20.089 1.00 0.00 H new ATOM 0 HE ARG A 98 -18.355 -28.385 21.017 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -20.222 -26.573 18.630 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -19.519 -25.019 19.090 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.456 -26.384 21.602 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.960 -24.912 20.764 1.00 0.00 H new ATOM 1440 N THR A 99 -16.919 -30.411 16.313 1.00 0.00 N ATOM 1441 CA THR A 99 -15.709 -31.180 16.576 1.00 0.00 C ATOM 1442 C THR A 99 -14.962 -31.490 15.284 1.00 0.00 C ATOM 1443 O THR A 99 -13.949 -32.188 15.293 1.00 0.00 O ATOM 1444 CB THR A 99 -16.029 -32.501 17.300 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.799 -32.240 18.479 1.00 0.00 O ATOM 1446 CG2 THR A 99 -14.751 -33.236 17.675 1.00 0.00 C ATOM 0 H THR A 99 -17.758 -30.976 16.185 1.00 0.00 H new ATOM 0 HA THR A 99 -15.078 -30.566 17.218 1.00 0.00 H new ATOM 0 HB THR A 99 -16.606 -33.130 16.622 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.690 -31.921 18.224 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.002 -34.166 18.185 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.182 -33.460 16.773 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.152 -32.610 18.336 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.469 -30.965 14.173 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.848 -31.184 12.872 1.00 0.00 C ATOM 1456 C ALA A 100 -13.363 -30.841 12.909 1.00 0.00 C ATOM 1457 O ALA A 100 -12.591 -31.285 12.058 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.555 -30.363 11.805 1.00 0.00 C ATOM 0 H ALA A 100 -16.308 -30.385 14.148 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.944 -32.241 12.624 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.081 -30.536 10.839 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.603 -30.659 11.753 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.489 -29.305 12.057 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.968 -30.046 13.898 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.574 -29.642 14.044 1.00 0.00 C ATOM 1466 C PHE A 101 -10.867 -30.496 15.092 1.00 0.00 C ATOM 1467 O PHE A 101 -9.956 -30.031 15.776 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.488 -28.164 14.432 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.995 -27.234 13.367 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.281 -27.049 12.194 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.184 -26.544 13.540 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.745 -26.194 11.212 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.653 -25.689 12.561 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.932 -25.512 11.396 1.00 0.00 C ATOM 0 H PHE A 101 -13.593 -29.669 14.610 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.077 -29.789 13.085 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.060 -28.003 15.346 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.451 -27.915 14.657 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.352 -27.579 12.045 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.750 -26.676 14.450 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -11.180 -26.059 10.302 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.583 -25.159 12.707 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.296 -24.842 10.631 1.00 0.00 H new ATOM 1484 N ALA A 102 -11.294 -31.749 15.211 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.701 -32.670 16.173 1.00 0.00 C ATOM 1486 C ALA A 102 -9.293 -33.074 15.751 1.00 0.00 C ATOM 1487 O ALA A 102 -9.091 -33.617 14.665 1.00 0.00 O ATOM 1488 CB ALA A 102 -11.579 -33.902 16.335 1.00 0.00 C ATOM 0 H ALA A 102 -12.048 -32.149 14.653 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.631 -32.158 17.133 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.124 -34.581 17.056 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.565 -33.602 16.691 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.678 -34.407 15.374 1.00 0.00 H new ATOM 1494 N GLY A 103 -8.320 -32.805 16.616 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.942 -33.147 16.314 1.00 0.00 C ATOM 1496 C GLY A 103 -6.242 -32.072 15.506 1.00 0.00 C ATOM 1497 O GLY A 103 -5.272 -32.348 14.799 1.00 0.00 O ATOM 0 H GLY A 103 -8.461 -32.356 17.521 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.399 -33.309 17.245 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.917 -34.087 15.762 1.00 0.00 H new ATOM 1501 N THR A 104 -6.735 -30.842 15.608 1.00 0.00 N ATOM 1502 CA THR A 104 -6.152 -29.722 14.880 1.00 0.00 C ATOM 1503 C THR A 104 -5.764 -28.592 15.826 1.00 0.00 C ATOM 1504 O THR A 104 -6.161 -28.581 16.991 1.00 0.00 O ATOM 1505 CB THR A 104 -7.126 -29.175 13.818 1.00 0.00 C ATOM 1506 OG1 THR A 104 -8.159 -28.411 14.449 1.00 0.00 O ATOM 1507 CG2 THR A 104 -7.745 -30.309 13.016 1.00 0.00 C ATOM 0 H THR A 104 -7.537 -30.596 16.188 1.00 0.00 H new ATOM 0 HA THR A 104 -5.258 -30.099 14.384 1.00 0.00 H new ATOM 0 HB THR A 104 -6.565 -28.535 13.137 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.704 -29.000 15.012 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.429 -29.898 12.273 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.958 -30.871 12.513 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.293 -30.972 13.686 1.00 0.00 H new ATOM 1515 N ALA A 105 -4.985 -27.643 15.319 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.545 -26.507 16.119 1.00 0.00 C ATOM 1517 C ALA A 105 -5.688 -25.526 16.356 1.00 0.00 C ATOM 1518 O ALA A 105 -5.566 -24.597 17.155 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.377 -25.805 15.443 1.00 0.00 C ATOM 0 H ALA A 105 -4.645 -27.638 14.357 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.217 -26.883 17.088 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.059 -24.959 16.052 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.548 -26.504 15.332 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.686 -25.449 14.460 1.00 0.00 H new ATOM 1525 N ILE A 106 -6.798 -25.738 15.656 1.00 0.00 N ATOM 1526 CA ILE A 106 -7.962 -24.872 15.791 1.00 0.00 C ATOM 1527 C ILE A 106 -8.795 -25.257 17.009 1.00 0.00 C ATOM 1528 O ILE A 106 -9.060 -26.435 17.246 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.854 -24.928 14.536 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.161 -24.234 13.361 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.204 -24.286 14.816 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.646 -24.707 12.009 1.00 0.00 C ATOM 0 H ILE A 106 -6.915 -26.502 14.990 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.587 -23.856 15.916 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.019 -25.972 14.271 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.320 -23.159 13.439 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.087 -24.403 13.432 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.822 -24.334 13.920 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.699 -24.819 15.627 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.059 -23.244 15.102 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.112 -24.173 11.223 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.462 -25.777 11.910 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.715 -24.513 11.918 1.00 0.00 H new ATOM 1544 N SER A 107 -9.206 -24.254 17.779 1.00 0.00 N ATOM 1545 CA SER A 107 -10.008 -24.487 18.974 1.00 0.00 C ATOM 1546 C SER A 107 -11.364 -23.798 18.862 1.00 0.00 C ATOM 1547 O SER A 107 -11.465 -22.577 18.993 1.00 0.00 O ATOM 1548 CB SER A 107 -9.268 -23.984 20.216 1.00 0.00 C ATOM 1549 OG SER A 107 -7.947 -24.495 20.264 1.00 0.00 O ATOM 0 H SER A 107 -8.997 -23.273 17.596 1.00 0.00 H new ATOM 0 HA SER A 107 -10.173 -25.560 19.067 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.240 -22.894 20.210 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.810 -24.284 21.113 1.00 0.00 H new ATOM 0 HG SER A 107 -7.495 -24.158 21.065 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.404 -24.588 18.619 1.00 0.00 N ATOM 1556 CA ILE A 108 -13.754 -24.055 18.490 1.00 0.00 C ATOM 1557 C ILE A 108 -14.492 -24.098 19.824 1.00 0.00 C ATOM 1558 O ILE A 108 -14.399 -25.076 20.566 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.569 -24.833 17.440 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -15.925 -24.160 17.213 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -14.756 -26.278 17.879 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.872 -23.011 16.231 1.00 0.00 C ATOM 0 H ILE A 108 -12.337 -25.600 18.507 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.654 -23.019 18.166 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.020 -24.828 16.499 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.635 -24.904 16.851 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.305 -23.795 18.167 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.334 -26.815 17.127 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.781 -26.752 17.995 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.287 -26.303 18.831 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.868 -22.582 16.119 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.187 -22.248 16.601 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.523 -23.374 15.264 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.227 -23.032 20.123 1.00 0.00 N ATOM 1575 CA VAL A 109 -15.984 -22.948 21.366 1.00 0.00 C ATOM 1576 C VAL A 109 -17.452 -22.638 21.096 1.00 0.00 C ATOM 1577 O VAL A 109 -17.784 -21.944 20.136 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.407 -21.871 22.304 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.025 -22.276 22.795 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -15.358 -20.524 21.600 1.00 0.00 C ATOM 0 H VAL A 109 -15.314 -22.214 19.521 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.904 -23.921 21.851 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.062 -21.779 23.171 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.633 -21.503 23.456 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.094 -23.218 23.339 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.357 -22.397 21.942 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.948 -19.774 22.277 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.726 -20.599 20.715 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.365 -20.232 21.303 1.00 0.00 H new