USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 SER OG : rot 180:sc= -1.6 USER MOD Set 2.1: A 38 MET CE :methyl -161:sc= -0.477 (180deg=-1.16) USER MOD Set 2.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -27:sc= 0.198 USER MOD Single : A 22 THR OG1 : rot 46:sc= 0.514 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0244) USER MOD Single : A 34 MET CE :methyl -140:sc= -0.0135 (180deg=-0.246) USER MOD Single : A 35 THR OG1 : rot -113:sc= 0.0189 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -3.25! K(o=-3.2!,f=-1.8) USER MOD Single : A 68 THR OG1 : rot -27:sc= 0.464 USER MOD Single : A 69 SER OG : rot 68:sc= 0.273 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -31:sc= 0.393 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 30: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+ -132:sc= -1.8! (180deg=-4.57!) USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= -0.495 (180deg=-1.16) USER MOD Single : A 99 THR OG1 : rot 70:sc= 0.576 USER MOD Single : A 104 THR OG1 : rot -44:sc= 0.414 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.417 -17.159 8.323 1.00 0.00 N ATOM 283 CA THR A 20 -3.405 -17.713 7.405 1.00 0.00 C ATOM 284 C THR A 20 -2.733 -18.356 6.197 1.00 0.00 C ATOM 285 O THR A 20 -1.634 -17.965 5.805 1.00 0.00 O ATOM 286 CB THR A 20 -4.387 -16.632 6.916 1.00 0.00 C ATOM 287 OG1 THR A 20 -3.664 -15.481 6.466 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.347 -16.232 8.026 1.00 0.00 C ATOM 0 HA THR A 20 -3.958 -18.472 7.958 1.00 0.00 H new ATOM 0 HB THR A 20 -4.964 -17.044 6.088 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.808 -15.427 6.940 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.031 -15.467 7.658 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.916 -17.104 8.346 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.782 -15.837 8.871 1.00 0.00 H new ATOM 296 N ALA A 21 -3.400 -19.345 5.612 1.00 0.00 N ATOM 297 CA ALA A 21 -2.868 -20.041 4.446 1.00 0.00 C ATOM 298 C ALA A 21 -3.561 -19.580 3.168 1.00 0.00 C ATOM 299 O ALA A 21 -4.647 -19.001 3.212 1.00 0.00 O ATOM 300 CB ALA A 21 -3.017 -21.545 4.616 1.00 0.00 C ATOM 0 H ALA A 21 -4.310 -19.683 5.926 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.809 -19.799 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.616 -22.052 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.470 -21.867 5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.072 -21.796 4.729 1.00 0.00 H new ATOM 306 N THR A 22 -2.925 -19.838 2.030 1.00 0.00 N ATOM 307 CA THR A 22 -3.479 -19.448 0.739 1.00 0.00 C ATOM 308 C THR A 22 -3.515 -20.630 -0.223 1.00 0.00 C ATOM 309 O THR A 22 -2.503 -20.980 -0.829 1.00 0.00 O ATOM 310 CB THR A 22 -2.667 -18.305 0.101 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.279 -18.655 0.060 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.846 -17.012 0.883 1.00 0.00 C ATOM 0 H THR A 22 -2.025 -20.316 1.976 1.00 0.00 H new ATOM 0 HA THR A 22 -4.496 -19.102 0.923 1.00 0.00 H new ATOM 0 HB THR A 22 -3.033 -18.151 -0.914 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.183 -19.572 -0.272 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.263 -16.219 0.414 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.900 -16.733 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.503 -17.156 1.908 1.00 0.00 H new ATOM 320 N ALA A 23 -4.688 -21.240 -0.360 1.00 0.00 N ATOM 321 CA ALA A 23 -4.856 -22.381 -1.251 1.00 0.00 C ATOM 322 C ALA A 23 -5.276 -21.930 -2.646 1.00 0.00 C ATOM 323 O ALA A 23 -5.867 -20.866 -2.829 1.00 0.00 O ATOM 324 CB ALA A 23 -5.877 -23.353 -0.678 1.00 0.00 C ATOM 0 H ALA A 23 -5.536 -20.963 0.135 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.896 -22.889 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.992 -24.200 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.535 -23.708 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.836 -22.848 -0.563 1.00 0.00 H new ATOM 330 N PRO A 24 -4.965 -22.758 -3.655 1.00 0.00 N ATOM 331 CA PRO A 24 -5.302 -22.465 -5.051 1.00 0.00 C ATOM 332 C PRO A 24 -6.801 -22.547 -5.316 1.00 0.00 C ATOM 333 O PRO A 24 -7.265 -22.246 -6.415 1.00 0.00 O ATOM 334 CB PRO A 24 -4.561 -23.554 -5.831 1.00 0.00 C ATOM 335 CG PRO A 24 -4.415 -24.678 -4.865 1.00 0.00 C ATOM 336 CD PRO A 24 -4.262 -24.043 -3.510 1.00 0.00 C ATOM 0 HA PRO A 24 -5.019 -21.451 -5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.123 -23.861 -6.713 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.590 -23.201 -6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.286 -25.332 -4.893 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.548 -25.292 -5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.705 -24.657 -2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.213 -23.900 -3.249 1.00 0.00 H new ATOM 344 N GLY A 25 -7.556 -22.957 -4.300 1.00 0.00 N ATOM 345 CA GLY A 25 -8.995 -23.071 -4.444 1.00 0.00 C ATOM 346 C GLY A 25 -9.396 -24.155 -5.424 1.00 0.00 C ATOM 347 O GLY A 25 -8.802 -24.286 -6.494 1.00 0.00 O ATOM 0 H GLY A 25 -7.196 -23.212 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.439 -23.283 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.400 -22.116 -4.778 1.00 0.00 H new ATOM 351 N GLY A 26 -10.407 -24.938 -5.059 1.00 0.00 N ATOM 352 CA GLY A 26 -10.867 -26.008 -5.924 1.00 0.00 C ATOM 353 C GLY A 26 -12.326 -26.351 -5.696 1.00 0.00 C ATOM 354 O GLY A 26 -12.794 -27.414 -6.106 1.00 0.00 O ATOM 0 H GLY A 26 -10.916 -24.850 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.724 -25.717 -6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.257 -26.896 -5.754 1.00 0.00 H new ATOM 358 N LEU A 27 -13.048 -25.450 -5.038 1.00 0.00 N ATOM 359 CA LEU A 27 -14.463 -25.663 -4.754 1.00 0.00 C ATOM 360 C LEU A 27 -15.224 -26.031 -6.024 1.00 0.00 C ATOM 361 O LEU A 27 -14.765 -25.763 -7.134 1.00 0.00 O ATOM 362 CB LEU A 27 -15.072 -24.408 -4.126 1.00 0.00 C ATOM 363 CG LEU A 27 -15.050 -24.343 -2.599 1.00 0.00 C ATOM 364 CD1 LEU A 27 -13.727 -23.778 -2.107 1.00 0.00 C ATOM 365 CD2 LEU A 27 -16.213 -23.507 -2.084 1.00 0.00 C ATOM 0 H LEU A 27 -12.677 -24.565 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.546 -26.491 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.542 -23.538 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.107 -24.325 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.156 -25.356 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.730 -23.739 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.911 -24.416 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.590 -22.773 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.182 -23.472 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.138 -22.495 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.153 -23.955 -2.405 1.00 0.00 H new ATOM 377 N SER A 28 -16.391 -26.644 -5.851 1.00 0.00 N ATOM 378 CA SER A 28 -17.215 -27.050 -6.984 1.00 0.00 C ATOM 379 C SER A 28 -18.567 -26.342 -6.953 1.00 0.00 C ATOM 380 O SER A 28 -19.492 -26.717 -7.672 1.00 0.00 O ATOM 381 CB SER A 28 -17.421 -28.566 -6.974 1.00 0.00 C ATOM 382 OG SER A 28 -16.244 -29.242 -7.383 1.00 0.00 O ATOM 0 H SER A 28 -16.787 -26.870 -4.939 1.00 0.00 H new ATOM 0 HA SER A 28 -16.696 -26.767 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.702 -28.892 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.245 -28.829 -7.638 1.00 0.00 H new ATOM 0 HG SER A 28 -16.400 -30.209 -7.367 1.00 0.00 H new ATOM 388 N ALA A 29 -18.671 -25.316 -6.114 1.00 0.00 N ATOM 389 CA ALA A 29 -19.908 -24.554 -5.990 1.00 0.00 C ATOM 390 C ALA A 29 -19.716 -23.340 -5.088 1.00 0.00 C ATOM 391 O ALA A 29 -18.613 -23.079 -4.607 1.00 0.00 O ATOM 392 CB ALA A 29 -21.023 -25.440 -5.455 1.00 0.00 C ATOM 0 H ALA A 29 -17.914 -24.994 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 29 -20.187 -24.197 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.940 -24.858 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -21.186 -26.273 -6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.743 -25.825 -4.474 1.00 0.00 H new ATOM 398 N LYS A 30 -20.796 -22.599 -4.864 1.00 0.00 N ATOM 399 CA LYS A 30 -20.747 -21.411 -4.019 1.00 0.00 C ATOM 400 C LYS A 30 -20.685 -21.795 -2.544 1.00 0.00 C ATOM 401 O LYS A 30 -21.406 -22.685 -2.094 1.00 0.00 O ATOM 402 CB LYS A 30 -21.970 -20.527 -4.276 1.00 0.00 C ATOM 403 CG LYS A 30 -22.043 -19.988 -5.694 1.00 0.00 C ATOM 404 CD LYS A 30 -22.541 -21.043 -6.667 1.00 0.00 C ATOM 405 CE LYS A 30 -22.945 -20.428 -7.998 1.00 0.00 C ATOM 406 NZ LYS A 30 -24.257 -19.728 -7.910 1.00 0.00 N ATOM 0 H LYS A 30 -21.716 -22.800 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.844 -20.854 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.873 -21.101 -4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.956 -19.690 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.707 -19.124 -5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -21.057 -19.643 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -21.760 -21.786 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.393 -21.566 -6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -22.178 -19.723 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.000 -21.208 -8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.562 -19.441 -8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.965 -20.369 -7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.161 -18.885 -7.308 1.00 0.00 H new ATOM 420 N ALA A 31 -19.822 -21.116 -1.796 1.00 0.00 N ATOM 421 CA ALA A 31 -19.669 -21.383 -0.372 1.00 0.00 C ATOM 422 C ALA A 31 -19.352 -20.105 0.396 1.00 0.00 C ATOM 423 O ALA A 31 -18.375 -19.410 0.115 1.00 0.00 O ATOM 424 CB ALA A 31 -18.581 -22.422 -0.143 1.00 0.00 C ATOM 0 H ALA A 31 -19.218 -20.376 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.615 -21.775 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.478 -22.611 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.849 -23.348 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.635 -22.052 -0.539 1.00 0.00 H new ATOM 430 N PRO A 32 -20.195 -19.784 1.389 1.00 0.00 N ATOM 431 CA PRO A 32 -20.025 -18.587 2.217 1.00 0.00 C ATOM 432 C PRO A 32 -18.818 -18.691 3.144 1.00 0.00 C ATOM 433 O PRO A 32 -18.440 -19.783 3.566 1.00 0.00 O ATOM 434 CB PRO A 32 -21.321 -18.531 3.030 1.00 0.00 C ATOM 435 CG PRO A 32 -21.797 -19.941 3.081 1.00 0.00 C ATOM 436 CD PRO A 32 -21.380 -20.567 1.778 1.00 0.00 C ATOM 0 HA PRO A 32 -19.845 -17.696 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -21.144 -18.136 4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.057 -17.881 2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.358 -20.471 3.926 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.879 -19.983 3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.142 -21.624 1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -22.169 -20.501 1.029 1.00 0.00 H new ATOM 444 N ALA A 33 -18.219 -17.547 3.458 1.00 0.00 N ATOM 445 CA ALA A 33 -17.057 -17.509 4.337 1.00 0.00 C ATOM 446 C ALA A 33 -17.426 -17.939 5.753 1.00 0.00 C ATOM 447 O ALA A 33 -18.584 -18.246 6.037 1.00 0.00 O ATOM 448 CB ALA A 33 -16.449 -16.115 4.349 1.00 0.00 C ATOM 0 H ALA A 33 -18.519 -16.634 3.117 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.318 -18.212 3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.582 -16.102 5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.140 -15.844 3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.189 -15.399 4.707 1.00 0.00 H new ATOM 454 N MET A 34 -16.435 -17.959 6.638 1.00 0.00 N ATOM 455 CA MET A 34 -16.656 -18.351 8.025 1.00 0.00 C ATOM 456 C MET A 34 -17.139 -19.796 8.111 1.00 0.00 C ATOM 457 O MET A 34 -18.157 -20.085 8.740 1.00 0.00 O ATOM 458 CB MET A 34 -17.676 -17.420 8.683 1.00 0.00 C ATOM 459 CG MET A 34 -17.122 -16.042 9.006 1.00 0.00 C ATOM 460 SD MET A 34 -15.644 -16.112 10.036 1.00 0.00 S ATOM 461 CE MET A 34 -16.318 -16.790 11.550 1.00 0.00 C ATOM 0 H MET A 34 -15.471 -17.708 6.419 1.00 0.00 H new ATOM 0 HA MET A 34 -15.707 -18.272 8.555 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.536 -17.311 8.022 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.037 -17.882 9.602 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.889 -15.522 8.077 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.888 -15.457 9.515 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.864 -16.291 12.406 1.00 0.00 H new ATOM 0 HE2 MET A 34 -17.397 -16.635 11.569 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.104 -17.858 11.598 1.00 0.00 H new ATOM 471 N THR A 35 -16.401 -20.700 7.474 1.00 0.00 N ATOM 472 CA THR A 35 -16.755 -22.114 7.478 1.00 0.00 C ATOM 473 C THR A 35 -15.531 -22.988 7.226 1.00 0.00 C ATOM 474 O THR A 35 -14.590 -22.595 6.536 1.00 0.00 O ATOM 475 CB THR A 35 -17.824 -22.429 6.414 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.231 -22.436 5.111 1.00 0.00 O ATOM 477 CG2 THR A 35 -18.949 -21.407 6.459 1.00 0.00 C ATOM 0 H THR A 35 -15.555 -20.478 6.949 1.00 0.00 H new ATOM 0 HA THR A 35 -17.160 -22.335 8.466 1.00 0.00 H new ATOM 0 HB THR A 35 -18.240 -23.413 6.629 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.580 -21.684 4.589 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.692 -21.650 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.417 -21.425 7.443 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.545 -20.413 6.267 1.00 0.00 H new ATOM 485 N PRO A 36 -15.542 -24.201 7.797 1.00 0.00 N ATOM 486 CA PRO A 36 -14.440 -25.156 7.647 1.00 0.00 C ATOM 487 C PRO A 36 -14.346 -25.715 6.231 1.00 0.00 C ATOM 488 O PRO A 36 -15.360 -25.899 5.557 1.00 0.00 O ATOM 489 CB PRO A 36 -14.796 -26.267 8.638 1.00 0.00 C ATOM 490 CG PRO A 36 -16.277 -26.189 8.779 1.00 0.00 C ATOM 491 CD PRO A 36 -16.630 -24.735 8.633 1.00 0.00 C ATOM 0 HA PRO A 36 -13.471 -24.693 7.835 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.485 -27.243 8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.299 -26.117 9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.774 -26.790 8.017 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.598 -26.573 9.747 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -17.603 -24.603 8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.677 -24.234 9.600 1.00 0.00 H new ATOM 499 N LEU A 37 -13.123 -25.985 5.787 1.00 0.00 N ATOM 500 CA LEU A 37 -12.897 -26.524 4.450 1.00 0.00 C ATOM 501 C LEU A 37 -12.044 -27.787 4.510 1.00 0.00 C ATOM 502 O LEU A 37 -11.465 -28.109 5.548 1.00 0.00 O ATOM 503 CB LEU A 37 -12.217 -25.478 3.565 1.00 0.00 C ATOM 504 CG LEU A 37 -12.735 -24.046 3.701 1.00 0.00 C ATOM 505 CD1 LEU A 37 -11.721 -23.057 3.148 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.073 -23.892 2.993 1.00 0.00 C ATOM 0 H LEU A 37 -12.273 -25.840 6.333 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.865 -26.781 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.150 -25.480 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.325 -25.785 2.525 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.881 -23.833 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.107 -22.043 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.785 -23.148 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.543 -23.270 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.426 -22.866 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.954 -24.125 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.799 -24.574 3.435 1.00 0.00 H new ATOM 518 N MET A 38 -11.969 -28.498 3.390 1.00 0.00 N ATOM 519 CA MET A 38 -11.183 -29.725 3.315 1.00 0.00 C ATOM 520 C MET A 38 -10.333 -29.748 2.049 1.00 0.00 C ATOM 521 O MET A 38 -10.732 -29.219 1.010 1.00 0.00 O ATOM 522 CB MET A 38 -12.102 -30.947 3.349 1.00 0.00 C ATOM 523 CG MET A 38 -12.858 -31.175 2.050 1.00 0.00 C ATOM 524 SD MET A 38 -13.274 -32.910 1.783 1.00 0.00 S ATOM 525 CE MET A 38 -14.611 -33.122 2.956 1.00 0.00 C ATOM 0 H MET A 38 -12.442 -28.246 2.522 1.00 0.00 H new ATOM 0 HA MET A 38 -10.518 -29.756 4.178 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.507 -31.832 3.574 1.00 0.00 H new ATOM 0 HB3 MET A 38 -12.819 -30.830 4.161 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.773 -30.583 2.058 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.255 -30.818 1.216 1.00 0.00 H new ATOM 0 HE1 MET A 38 -14.751 -34.183 3.161 1.00 0.00 H new ATOM 0 HE2 MET A 38 -14.368 -32.603 3.883 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.530 -32.709 2.539 1.00 0.00 H new ATOM 535 N LEU A 39 -9.159 -30.364 2.141 1.00 0.00 N ATOM 536 CA LEU A 39 -8.252 -30.457 1.003 1.00 0.00 C ATOM 537 C LEU A 39 -8.820 -31.375 -0.074 1.00 0.00 C ATOM 538 O LEU A 39 -9.685 -32.208 0.200 1.00 0.00 O ATOM 539 CB LEU A 39 -6.884 -30.969 1.456 1.00 0.00 C ATOM 540 CG LEU A 39 -5.680 -30.462 0.661 1.00 0.00 C ATOM 541 CD1 LEU A 39 -5.555 -28.951 0.786 1.00 0.00 C ATOM 542 CD2 LEU A 39 -4.404 -31.145 1.131 1.00 0.00 C ATOM 0 H LEU A 39 -8.813 -30.806 2.993 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.138 -29.459 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.744 -30.696 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.892 -32.058 1.409 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.834 -30.708 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.693 -28.609 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.458 -28.478 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.425 -28.682 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.558 -30.772 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.245 -30.931 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.494 -32.222 0.988 1.00 0.00 H new ATOM 626 N LYS A 45 -5.737 -29.090 -4.200 1.00 0.00 N ATOM 627 CA LYS A 45 -6.667 -27.967 -4.226 1.00 0.00 C ATOM 628 C LYS A 45 -7.374 -27.815 -2.882 1.00 0.00 C ATOM 629 O LYS A 45 -7.148 -28.598 -1.959 1.00 0.00 O ATOM 630 CB LYS A 45 -7.700 -28.159 -5.338 1.00 0.00 C ATOM 631 CG LYS A 45 -7.085 -28.327 -6.717 1.00 0.00 C ATOM 632 CD LYS A 45 -6.426 -27.044 -7.194 1.00 0.00 C ATOM 633 CE LYS A 45 -6.196 -27.061 -8.698 1.00 0.00 C ATOM 634 NZ LYS A 45 -7.418 -26.663 -9.451 1.00 0.00 N ATOM 0 HA LYS A 45 -6.096 -27.059 -4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.307 -29.035 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.371 -27.300 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.347 -29.129 -6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.857 -28.626 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.053 -26.192 -6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.474 -26.910 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.379 -26.384 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.888 -28.060 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.220 -26.687 -10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.191 -27.324 -9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.697 -25.700 -9.175 1.00 0.00 H new ATOM 648 N LEU A 46 -8.229 -26.804 -2.780 1.00 0.00 N ATOM 649 CA LEU A 46 -8.971 -26.551 -1.550 1.00 0.00 C ATOM 650 C LEU A 46 -10.470 -26.477 -1.822 1.00 0.00 C ATOM 651 O LEU A 46 -10.929 -25.640 -2.599 1.00 0.00 O ATOM 652 CB LEU A 46 -8.493 -25.249 -0.902 1.00 0.00 C ATOM 653 CG LEU A 46 -8.555 -25.197 0.625 1.00 0.00 C ATOM 654 CD1 LEU A 46 -9.841 -25.833 1.129 1.00 0.00 C ATOM 655 CD2 LEU A 46 -7.343 -25.888 1.231 1.00 0.00 C ATOM 0 H LEU A 46 -8.426 -26.146 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.786 -27.380 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.463 -25.070 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.091 -24.428 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.545 -24.152 0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.867 -25.787 2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.697 -25.295 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.882 -26.874 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.404 -25.842 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.322 -26.930 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.434 -25.388 0.897 1.00 0.00 H new ATOM 667 N VAL A 47 -11.228 -27.357 -1.175 1.00 0.00 N ATOM 668 CA VAL A 47 -12.675 -27.389 -1.345 1.00 0.00 C ATOM 669 C VAL A 47 -13.389 -27.211 -0.010 1.00 0.00 C ATOM 670 O VAL A 47 -12.783 -27.345 1.052 1.00 0.00 O ATOM 671 CB VAL A 47 -13.136 -28.710 -1.989 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.432 -28.930 -3.319 1.00 0.00 C ATOM 673 CG2 VAL A 47 -12.886 -29.877 -1.045 1.00 0.00 C ATOM 0 H VAL A 47 -10.864 -28.057 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.934 -26.562 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.208 -28.648 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.770 -29.868 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.665 -28.107 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.355 -28.973 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.217 -30.803 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.821 -29.944 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.440 -29.722 -0.120 1.00 0.00 H new ATOM 683 N ALA A 48 -14.682 -26.909 -0.072 1.00 0.00 N ATOM 684 CA ALA A 48 -15.480 -26.716 1.132 1.00 0.00 C ATOM 685 C ALA A 48 -15.749 -28.043 1.832 1.00 0.00 C ATOM 686 O ALA A 48 -15.723 -29.102 1.205 1.00 0.00 O ATOM 687 CB ALA A 48 -16.791 -26.022 0.791 1.00 0.00 C ATOM 0 H ALA A 48 -15.199 -26.793 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.913 -26.084 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.377 -25.884 1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.583 -25.050 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.354 -26.634 0.086 1.00 0.00 H new ATOM 693 N TRP A 49 -16.007 -27.979 3.133 1.00 0.00 N ATOM 694 CA TRP A 49 -16.280 -29.178 3.918 1.00 0.00 C ATOM 695 C TRP A 49 -17.591 -29.825 3.485 1.00 0.00 C ATOM 696 O TRP A 49 -18.519 -29.140 3.055 1.00 0.00 O ATOM 697 CB TRP A 49 -16.334 -28.835 5.408 1.00 0.00 C ATOM 698 CG TRP A 49 -16.618 -30.020 6.280 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.131 -31.287 6.126 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.457 -30.049 7.440 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.617 -32.102 7.120 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.432 -31.366 7.939 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.225 -29.091 8.106 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.146 -31.746 9.073 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -18.934 -29.469 9.230 1.00 0.00 C ATOM 706 CH2 TRP A 49 -18.890 -30.787 9.705 1.00 0.00 C ATOM 0 H TRP A 49 -16.033 -27.110 3.667 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.471 -29.888 3.745 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.383 -28.393 5.706 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.102 -28.080 5.572 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.462 -31.602 5.339 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.405 -33.094 7.230 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.264 -28.073 7.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.114 -32.761 9.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.532 -28.737 9.751 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.454 -31.051 10.587 1.00 0.00 H new ATOM 717 N ASP A 50 -17.660 -31.146 3.602 1.00 0.00 N ATOM 718 CA ASP A 50 -18.859 -31.886 3.224 1.00 0.00 C ATOM 719 C ASP A 50 -19.951 -31.726 4.277 1.00 0.00 C ATOM 720 O ASP A 50 -21.088 -31.379 3.959 1.00 0.00 O ATOM 721 CB ASP A 50 -18.531 -33.367 3.032 1.00 0.00 C ATOM 722 CG ASP A 50 -19.578 -34.090 2.209 1.00 0.00 C ATOM 723 OD1 ASP A 50 -20.716 -34.245 2.700 1.00 0.00 O ATOM 724 OD2 ASP A 50 -19.261 -34.502 1.073 1.00 0.00 O ATOM 0 H ASP A 50 -16.900 -31.727 3.956 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.226 -31.478 2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.561 -33.461 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.445 -33.846 4.007 1.00 0.00 H new ATOM 729 N GLY A 51 -19.597 -31.982 5.533 1.00 0.00 N ATOM 730 CA GLY A 51 -20.559 -31.863 6.613 1.00 0.00 C ATOM 731 C GLY A 51 -20.790 -33.177 7.332 1.00 0.00 C ATOM 732 O GLY A 51 -21.367 -33.206 8.420 1.00 0.00 O ATOM 0 H GLY A 51 -18.662 -32.269 5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.208 -31.118 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.506 -31.500 6.213 1.00 0.00 H new ATOM 736 N THR A 52 -20.340 -34.270 6.723 1.00 0.00 N ATOM 737 CA THR A 52 -20.503 -35.594 7.310 1.00 0.00 C ATOM 738 C THR A 52 -19.152 -36.249 7.572 1.00 0.00 C ATOM 739 O THR A 52 -19.033 -37.133 8.422 1.00 0.00 O ATOM 740 CB THR A 52 -21.339 -36.513 6.400 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.832 -36.469 5.061 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.802 -36.097 6.407 1.00 0.00 C ATOM 0 H THR A 52 -19.860 -34.264 5.823 1.00 0.00 H new ATOM 0 HA THR A 52 -21.027 -35.458 8.256 1.00 0.00 H new ATOM 0 HB THR A 52 -21.266 -37.531 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 52 -21.368 -37.057 4.489 1.00 0.00 H new ATOM 0 HG21 THR A 52 -23.372 -36.761 5.757 1.00 0.00 H new ATOM 0 HG22 THR A 52 -23.193 -36.159 7.422 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.891 -35.072 6.046 1.00 0.00 H new ATOM 750 N THR A 53 -18.134 -35.811 6.838 1.00 0.00 N ATOM 751 CA THR A 53 -16.791 -36.355 6.991 1.00 0.00 C ATOM 752 C THR A 53 -16.174 -35.930 8.318 1.00 0.00 C ATOM 753 O THR A 53 -15.872 -34.755 8.525 1.00 0.00 O ATOM 754 CB THR A 53 -15.869 -35.906 5.842 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.490 -36.179 4.580 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.526 -36.617 5.916 1.00 0.00 C ATOM 0 H THR A 53 -18.215 -35.080 6.131 1.00 0.00 H new ATOM 0 HA THR A 53 -16.885 -37.441 6.968 1.00 0.00 H new ATOM 0 HB THR A 53 -15.700 -34.834 5.939 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.898 -35.889 3.855 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.892 -36.284 5.094 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.043 -36.384 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.680 -37.694 5.842 1.00 0.00 H new ATOM 764 N ASP A 54 -15.987 -36.894 9.214 1.00 0.00 N ATOM 765 CA ASP A 54 -15.403 -36.619 10.522 1.00 0.00 C ATOM 766 C ASP A 54 -13.909 -36.335 10.401 1.00 0.00 C ATOM 767 O ASP A 54 -13.174 -37.088 9.764 1.00 0.00 O ATOM 768 CB ASP A 54 -15.636 -37.800 11.466 1.00 0.00 C ATOM 769 CG ASP A 54 -14.929 -39.059 11.003 1.00 0.00 C ATOM 770 OD1 ASP A 54 -13.709 -39.177 11.243 1.00 0.00 O ATOM 771 OD2 ASP A 54 -15.596 -39.927 10.403 1.00 0.00 O ATOM 0 H ASP A 54 -16.231 -37.872 9.058 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.890 -35.734 10.932 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.287 -37.537 12.465 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.706 -37.995 11.543 1.00 0.00 H new ATOM 776 N GLY A 55 -13.468 -35.243 11.016 1.00 0.00 N ATOM 777 CA GLY A 55 -12.064 -34.878 10.965 1.00 0.00 C ATOM 778 C GLY A 55 -11.610 -34.518 9.564 1.00 0.00 C ATOM 779 O GLY A 55 -10.472 -34.791 9.184 1.00 0.00 O ATOM 0 H GLY A 55 -14.058 -34.604 11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.887 -34.032 11.630 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.462 -35.707 11.337 1.00 0.00 H new ATOM 783 N ALA A 56 -12.503 -33.904 8.794 1.00 0.00 N ATOM 784 CA ALA A 56 -12.187 -33.506 7.428 1.00 0.00 C ATOM 785 C ALA A 56 -11.756 -32.044 7.368 1.00 0.00 C ATOM 786 O ALA A 56 -10.822 -31.692 6.647 1.00 0.00 O ATOM 787 CB ALA A 56 -13.384 -33.742 6.519 1.00 0.00 C ATOM 0 H ALA A 56 -13.450 -33.672 9.093 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.355 -34.118 7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.134 -33.440 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.646 -34.800 6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.231 -33.155 6.873 1.00 0.00 H new ATOM 793 N ALA A 57 -12.442 -31.198 8.129 1.00 0.00 N ATOM 794 CA ALA A 57 -12.128 -29.775 8.163 1.00 0.00 C ATOM 795 C ALA A 57 -10.701 -29.538 8.647 1.00 0.00 C ATOM 796 O ALA A 57 -10.320 -29.987 9.728 1.00 0.00 O ATOM 797 CB ALA A 57 -13.118 -29.037 9.052 1.00 0.00 C ATOM 0 H ALA A 57 -13.219 -31.473 8.730 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.208 -29.387 7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.871 -27.975 9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.127 -29.169 8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.066 -29.437 10.065 1.00 0.00 H new ATOM 803 N VAL A 58 -9.917 -28.832 7.839 1.00 0.00 N ATOM 804 CA VAL A 58 -8.532 -28.536 8.186 1.00 0.00 C ATOM 805 C VAL A 58 -8.346 -27.053 8.489 1.00 0.00 C ATOM 806 O VAL A 58 -7.434 -26.667 9.219 1.00 0.00 O ATOM 807 CB VAL A 58 -7.571 -28.941 7.052 1.00 0.00 C ATOM 808 CG1 VAL A 58 -7.774 -30.401 6.677 1.00 0.00 C ATOM 809 CG2 VAL A 58 -7.763 -28.039 5.843 1.00 0.00 C ATOM 0 H VAL A 58 -10.217 -28.455 6.940 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.297 -29.118 9.077 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.547 -28.821 7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.087 -30.669 5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.581 -31.030 7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.800 -30.551 6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.076 -28.340 5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.789 -28.124 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.562 -27.005 6.125 1.00 0.00 H new ATOM 819 N GLY A 59 -9.219 -26.225 7.922 1.00 0.00 N ATOM 820 CA GLY A 59 -9.134 -24.793 8.144 1.00 0.00 C ATOM 821 C GLY A 59 -10.460 -24.093 7.921 1.00 0.00 C ATOM 822 O GLY A 59 -11.380 -24.663 7.333 1.00 0.00 O ATOM 0 H GLY A 59 -9.983 -26.520 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.794 -24.606 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.385 -24.368 7.475 1.00 0.00 H new ATOM 826 N ILE A 60 -10.560 -22.855 8.392 1.00 0.00 N ATOM 827 CA ILE A 60 -11.783 -22.076 8.241 1.00 0.00 C ATOM 828 C ILE A 60 -11.602 -20.962 7.216 1.00 0.00 C ATOM 829 O ILE A 60 -10.734 -20.101 7.365 1.00 0.00 O ATOM 830 CB ILE A 60 -12.227 -21.460 9.580 1.00 0.00 C ATOM 831 CG1 ILE A 60 -12.465 -22.558 10.618 1.00 0.00 C ATOM 832 CG2 ILE A 60 -13.484 -20.624 9.388 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.805 -22.027 11.993 1.00 0.00 C ATOM 0 H ILE A 60 -9.809 -22.369 8.882 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.554 -22.764 7.894 1.00 0.00 H new ATOM 0 HB ILE A 60 -11.433 -20.808 9.944 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.276 -23.201 10.275 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.573 -23.180 10.688 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.785 -20.195 10.344 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.283 -19.822 8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.286 -21.255 9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -12.960 -22.861 12.677 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.985 -21.407 12.357 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.715 -21.429 11.937 1.00 0.00 H new ATOM 845 N LEU A 61 -12.429 -20.982 6.176 1.00 0.00 N ATOM 846 CA LEU A 61 -12.363 -19.971 5.126 1.00 0.00 C ATOM 847 C LEU A 61 -12.730 -18.595 5.671 1.00 0.00 C ATOM 848 O LEU A 61 -13.825 -18.397 6.197 1.00 0.00 O ATOM 849 CB LEU A 61 -13.297 -20.343 3.974 1.00 0.00 C ATOM 850 CG LEU A 61 -12.850 -19.905 2.579 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.051 -19.745 1.659 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.058 -18.607 2.656 1.00 0.00 C ATOM 0 H LEU A 61 -13.153 -21.687 6.037 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.338 -19.932 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.423 -21.426 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.277 -19.909 4.173 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.203 -20.679 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.713 -19.433 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.577 -20.696 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.724 -18.991 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.748 -18.310 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.682 -17.825 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.176 -18.755 3.280 1.00 0.00 H new ATOM 864 N ALA A 62 -11.809 -17.647 5.539 1.00 0.00 N ATOM 865 CA ALA A 62 -12.038 -16.288 6.014 1.00 0.00 C ATOM 866 C ALA A 62 -12.952 -15.521 5.065 1.00 0.00 C ATOM 867 O ALA A 62 -13.899 -14.862 5.496 1.00 0.00 O ATOM 868 CB ALA A 62 -10.714 -15.556 6.180 1.00 0.00 C ATOM 0 H ALA A 62 -10.897 -17.795 5.107 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.532 -16.348 6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.901 -14.543 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.094 -16.085 6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.198 -15.515 5.221 1.00 0.00 H new ATOM 874 N VAL A 63 -12.664 -15.611 3.771 1.00 0.00 N ATOM 875 CA VAL A 63 -13.461 -14.926 2.760 1.00 0.00 C ATOM 876 C VAL A 63 -14.314 -15.913 1.971 1.00 0.00 C ATOM 877 O VAL A 63 -13.894 -17.039 1.709 1.00 0.00 O ATOM 878 CB VAL A 63 -12.570 -14.137 1.782 1.00 0.00 C ATOM 879 CG1 VAL A 63 -12.005 -15.060 0.712 1.00 0.00 C ATOM 880 CG2 VAL A 63 -13.351 -12.994 1.153 1.00 0.00 C ATOM 0 H VAL A 63 -11.884 -16.152 3.397 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.112 -14.230 3.289 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.736 -13.712 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.378 -14.486 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -11.408 -15.841 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.824 -15.516 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.706 -12.448 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.206 -13.394 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.702 -12.320 1.934 1.00 0.00 H new ATOM 890 N ALA A 64 -15.513 -15.481 1.596 1.00 0.00 N ATOM 891 CA ALA A 64 -16.425 -16.326 0.834 1.00 0.00 C ATOM 892 C ALA A 64 -15.961 -16.470 -0.611 1.00 0.00 C ATOM 893 O ALA A 64 -15.698 -15.479 -1.291 1.00 0.00 O ATOM 894 CB ALA A 64 -17.836 -15.758 0.883 1.00 0.00 C ATOM 0 H ALA A 64 -15.876 -14.551 1.807 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.428 -17.317 1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.506 -16.399 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.174 -15.713 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.840 -14.755 0.456 1.00 0.00 H new ATOM 900 N ALA A 65 -15.863 -17.712 -1.075 1.00 0.00 N ATOM 901 CA ALA A 65 -15.432 -17.986 -2.440 1.00 0.00 C ATOM 902 C ALA A 65 -16.298 -19.062 -3.084 1.00 0.00 C ATOM 903 O ALA A 65 -17.190 -19.620 -2.444 1.00 0.00 O ATOM 904 CB ALA A 65 -13.968 -18.402 -2.459 1.00 0.00 C ATOM 0 H ALA A 65 -16.076 -18.544 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.545 -17.070 -3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.660 -18.603 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.356 -17.599 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.838 -19.302 -1.858 1.00 0.00 H new ATOM 910 N ASP A 66 -16.031 -19.350 -4.353 1.00 0.00 N ATOM 911 CA ASP A 66 -16.787 -20.361 -5.084 1.00 0.00 C ATOM 912 C ASP A 66 -15.860 -21.220 -5.938 1.00 0.00 C ATOM 913 O ASP A 66 -14.642 -21.049 -5.912 1.00 0.00 O ATOM 914 CB ASP A 66 -17.845 -19.698 -5.967 1.00 0.00 C ATOM 915 CG ASP A 66 -17.445 -18.302 -6.401 1.00 0.00 C ATOM 916 OD1 ASP A 66 -16.231 -18.012 -6.421 1.00 0.00 O ATOM 917 OD2 ASP A 66 -18.347 -17.498 -6.721 1.00 0.00 O ATOM 0 H ASP A 66 -15.296 -18.898 -4.897 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.283 -21.005 -4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -18.016 -20.315 -6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.789 -19.650 -5.424 1.00 0.00 H new ATOM 922 N GLN A 67 -16.446 -22.144 -6.692 1.00 0.00 N ATOM 923 CA GLN A 67 -15.672 -23.032 -7.552 1.00 0.00 C ATOM 924 C GLN A 67 -14.860 -22.234 -8.567 1.00 0.00 C ATOM 925 O GLN A 67 -13.896 -22.740 -9.143 1.00 0.00 O ATOM 926 CB GLN A 67 -16.598 -24.009 -8.277 1.00 0.00 C ATOM 927 CG GLN A 67 -17.748 -23.332 -9.005 1.00 0.00 C ATOM 928 CD GLN A 67 -17.347 -22.806 -10.368 1.00 0.00 C ATOM 929 OE1 GLN A 67 -16.853 -23.552 -11.214 1.00 0.00 O ATOM 930 NE2 GLN A 67 -17.558 -21.513 -10.590 1.00 0.00 N ATOM 0 H GLN A 67 -17.454 -22.297 -6.725 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.982 -23.595 -6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.014 -24.585 -8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.003 -24.717 -7.554 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -18.568 -24.041 -9.120 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.123 -22.508 -8.398 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.970 -20.931 -9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.308 -21.103 -11.490 1.00 0.00 H new ATOM 939 N THR A 68 -15.256 -20.983 -8.782 1.00 0.00 N ATOM 940 CA THR A 68 -14.566 -20.116 -9.729 1.00 0.00 C ATOM 941 C THR A 68 -13.427 -19.361 -9.054 1.00 0.00 C ATOM 942 O THR A 68 -12.685 -18.625 -9.705 1.00 0.00 O ATOM 943 CB THR A 68 -15.532 -19.100 -10.367 1.00 0.00 C ATOM 944 OG1 THR A 68 -14.846 -18.326 -11.357 1.00 0.00 O ATOM 945 CG2 THR A 68 -16.121 -18.176 -9.312 1.00 0.00 C ATOM 0 H THR A 68 -16.051 -20.548 -8.313 1.00 0.00 H new ATOM 0 HA THR A 68 -14.160 -20.760 -10.509 1.00 0.00 H new ATOM 0 HB THR A 68 -16.345 -19.652 -10.838 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.893 -18.281 -11.134 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.800 -17.468 -9.787 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.668 -18.766 -8.576 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.318 -17.632 -8.816 1.00 0.00 H new ATOM 953 N SER A 69 -13.292 -19.549 -7.745 1.00 0.00 N ATOM 954 CA SER A 69 -12.244 -18.882 -6.980 1.00 0.00 C ATOM 955 C SER A 69 -10.962 -19.709 -6.981 1.00 0.00 C ATOM 956 O SER A 69 -10.879 -20.749 -6.326 1.00 0.00 O ATOM 957 CB SER A 69 -12.708 -18.640 -5.543 1.00 0.00 C ATOM 958 OG SER A 69 -13.545 -17.500 -5.462 1.00 0.00 O ATOM 0 H SER A 69 -13.895 -20.158 -7.192 1.00 0.00 H new ATOM 0 HA SER A 69 -12.037 -17.922 -7.453 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.245 -19.516 -5.179 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.841 -18.505 -4.896 1.00 0.00 H new ATOM 0 HG SER A 69 -14.389 -17.680 -5.927 1.00 0.00 H new ATOM 964 N THR A 70 -9.963 -19.240 -7.722 1.00 0.00 N ATOM 965 CA THR A 70 -8.685 -19.935 -7.810 1.00 0.00 C ATOM 966 C THR A 70 -7.802 -19.618 -6.609 1.00 0.00 C ATOM 967 O THR A 70 -6.594 -19.856 -6.632 1.00 0.00 O ATOM 968 CB THR A 70 -7.931 -19.563 -9.100 1.00 0.00 C ATOM 969 OG1 THR A 70 -8.813 -19.644 -10.225 1.00 0.00 O ATOM 970 CG2 THR A 70 -6.740 -20.484 -9.316 1.00 0.00 C ATOM 0 H THR A 70 -10.015 -18.381 -8.270 1.00 0.00 H new ATOM 0 HA THR A 70 -8.906 -21.002 -7.822 1.00 0.00 H new ATOM 0 HB THR A 70 -7.566 -18.541 -8.998 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.326 -19.404 -11.041 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.223 -20.202 -10.233 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.055 -20.397 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.087 -21.514 -9.397 1.00 0.00 H new ATOM 978 N THR A 71 -8.412 -19.078 -5.558 1.00 0.00 N ATOM 979 CA THR A 71 -7.682 -18.727 -4.347 1.00 0.00 C ATOM 980 C THR A 71 -8.618 -18.634 -3.147 1.00 0.00 C ATOM 981 O THR A 71 -9.627 -17.930 -3.188 1.00 0.00 O ATOM 982 CB THR A 71 -6.938 -17.388 -4.508 1.00 0.00 C ATOM 983 OG1 THR A 71 -6.265 -17.349 -5.772 1.00 0.00 O ATOM 984 CG2 THR A 71 -5.930 -17.190 -3.385 1.00 0.00 C ATOM 0 H THR A 71 -9.411 -18.874 -5.522 1.00 0.00 H new ATOM 0 HA THR A 71 -6.955 -19.521 -4.176 1.00 0.00 H new ATOM 0 HB THR A 71 -7.672 -16.583 -4.463 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.991 -18.255 -6.025 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.417 -16.238 -3.520 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.449 -17.190 -2.426 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.201 -18.000 -3.403 1.00 0.00 H new ATOM 992 N LEU A 72 -8.277 -19.348 -2.080 1.00 0.00 N ATOM 993 CA LEU A 72 -9.087 -19.346 -0.867 1.00 0.00 C ATOM 994 C LEU A 72 -8.249 -18.955 0.346 1.00 0.00 C ATOM 995 O LEU A 72 -7.260 -19.614 0.671 1.00 0.00 O ATOM 996 CB LEU A 72 -9.714 -20.724 -0.646 1.00 0.00 C ATOM 997 CG LEU A 72 -10.476 -21.313 -1.834 1.00 0.00 C ATOM 998 CD1 LEU A 72 -11.149 -22.619 -1.441 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.502 -20.317 -2.355 1.00 0.00 C ATOM 0 H LEU A 72 -7.445 -19.936 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.880 -18.609 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.923 -21.420 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.396 -20.659 0.201 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.764 -21.521 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.686 -23.024 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.393 -23.334 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.850 -22.436 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.035 -20.752 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.211 -20.078 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.995 -19.407 -2.676 1.00 0.00 H new ATOM 1011 N THR A 73 -8.652 -17.879 1.016 1.00 0.00 N ATOM 1012 CA THR A 73 -7.940 -17.401 2.194 1.00 0.00 C ATOM 1013 C THR A 73 -8.604 -17.893 3.475 1.00 0.00 C ATOM 1014 O THR A 73 -9.636 -17.366 3.892 1.00 0.00 O ATOM 1015 CB THR A 73 -7.871 -15.863 2.222 1.00 0.00 C ATOM 1016 OG1 THR A 73 -7.242 -15.379 1.030 1.00 0.00 O ATOM 1017 CG2 THR A 73 -7.100 -15.378 3.441 1.00 0.00 C ATOM 0 H THR A 73 -9.468 -17.322 0.762 1.00 0.00 H new ATOM 0 HA THR A 73 -6.928 -17.802 2.136 1.00 0.00 H new ATOM 0 HB THR A 73 -8.889 -15.477 2.278 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.204 -14.400 1.055 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.064 -14.289 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.597 -15.723 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.085 -15.774 3.411 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.007 -18.904 4.096 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.541 -19.467 5.330 1.00 0.00 C ATOM 1027 C PHE A 74 -7.542 -19.317 6.474 1.00 0.00 C ATOM 1028 O PHE A 74 -6.375 -18.990 6.254 1.00 0.00 O ATOM 1029 CB PHE A 74 -8.891 -20.943 5.133 1.00 0.00 C ATOM 1030 CG PHE A 74 -7.706 -21.800 4.793 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.142 -21.755 3.528 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.155 -22.651 5.738 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.050 -22.542 3.212 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.064 -23.440 5.428 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.511 -23.386 4.163 1.00 0.00 C ATOM 0 H PHE A 74 -7.152 -19.351 3.764 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.446 -18.918 5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.355 -21.323 6.043 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.632 -21.029 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.560 -21.098 2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.583 -22.698 6.728 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.619 -22.497 2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.644 -24.098 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.659 -24.003 3.918 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.008 -19.559 7.694 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.157 -19.449 8.873 1.00 0.00 C ATOM 1047 C TYR A 75 -6.424 -20.760 9.140 1.00 0.00 C ATOM 1048 O TYR A 75 -6.733 -21.791 8.542 1.00 0.00 O ATOM 1049 CB TYR A 75 -7.990 -19.059 10.094 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.243 -17.573 10.205 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.339 -16.741 10.854 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.387 -17.000 9.663 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -7.566 -15.382 10.959 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -9.621 -15.642 9.761 1.00 0.00 C ATOM 1055 CZ TYR A 75 -8.708 -14.838 10.410 1.00 0.00 C ATOM 1056 OH TYR A 75 -8.939 -13.485 10.512 1.00 0.00 O ATOM 0 H TYR A 75 -8.970 -19.833 7.893 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.416 -18.672 8.684 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -8.947 -19.580 10.052 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.480 -19.401 10.995 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.443 -17.164 11.284 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.106 -17.627 9.156 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.853 -14.750 11.468 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -10.514 -15.213 9.332 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.786 -13.264 10.072 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.452 -20.713 10.044 1.00 0.00 N ATOM 1067 CA LYS A 76 -4.675 -21.896 10.395 1.00 0.00 C ATOM 1068 C LYS A 76 -5.080 -22.426 11.767 1.00 0.00 C ATOM 1069 O LYS A 76 -5.101 -23.635 11.994 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.180 -21.571 10.383 1.00 0.00 C ATOM 1071 CG LYS A 76 -2.772 -20.543 11.424 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.392 -21.202 12.739 1.00 0.00 C ATOM 1073 CE LYS A 76 -0.934 -21.636 12.744 1.00 0.00 C ATOM 1074 NZ LYS A 76 -0.682 -22.721 13.732 1.00 0.00 N ATOM 0 H LYS A 76 -5.183 -19.868 10.548 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.879 -22.668 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.616 -22.489 10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.905 -21.204 9.394 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.929 -19.961 11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.593 -19.846 11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.569 -20.507 13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.031 -22.068 12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.654 -21.979 11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.301 -20.780 12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.323 -22.989 13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.925 -22.385 14.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.267 -23.548 13.496 1.00 0.00 H new ATOM 1088 N SER A 77 -5.401 -21.513 12.678 1.00 0.00 N ATOM 1089 CA SER A 77 -5.803 -21.888 14.028 1.00 0.00 C ATOM 1090 C SER A 77 -6.342 -20.681 14.790 1.00 0.00 C ATOM 1091 O SER A 77 -6.281 -19.551 14.309 1.00 0.00 O ATOM 1092 CB SER A 77 -4.621 -22.497 14.785 1.00 0.00 C ATOM 1093 OG SER A 77 -3.708 -21.494 15.196 1.00 0.00 O ATOM 0 H SER A 77 -5.390 -20.508 12.505 1.00 0.00 H new ATOM 0 HA SER A 77 -6.597 -22.631 13.950 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.985 -23.041 15.656 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.110 -23.219 14.148 1.00 0.00 H new ATOM 0 HG SER A 77 -2.963 -21.908 15.679 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.871 -20.931 15.985 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.413 -19.856 16.795 1.00 0.00 C ATOM 1101 C GLY A 78 -8.865 -20.085 17.164 1.00 0.00 C ATOM 1102 O GLY A 78 -9.564 -20.865 16.517 1.00 0.00 O ATOM 0 H GLY A 78 -6.933 -21.858 16.406 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.821 -19.757 17.705 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.323 -18.915 16.252 1.00 0.00 H new ATOM 1106 N THR A 79 -9.323 -19.403 18.210 1.00 0.00 N ATOM 1107 CA THR A 79 -10.700 -19.537 18.666 1.00 0.00 C ATOM 1108 C THR A 79 -11.653 -18.744 17.779 1.00 0.00 C ATOM 1109 O THR A 79 -11.570 -17.518 17.702 1.00 0.00 O ATOM 1110 CB THR A 79 -10.858 -19.063 20.123 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.877 -19.693 20.953 1.00 0.00 O ATOM 1112 CG2 THR A 79 -12.251 -19.378 20.647 1.00 0.00 C ATOM 0 H THR A 79 -8.759 -18.752 18.757 1.00 0.00 H new ATOM 0 HA THR A 79 -10.950 -20.596 18.607 1.00 0.00 H new ATOM 0 HB THR A 79 -10.714 -17.983 20.147 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.984 -19.385 21.877 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.338 -19.034 21.678 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.994 -18.872 20.031 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.420 -20.454 20.608 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.559 -19.451 17.112 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.529 -18.813 16.229 1.00 0.00 C ATOM 1122 C PHE A 80 -14.950 -19.009 16.750 1.00 0.00 C ATOM 1123 O PHE A 80 -15.236 -19.977 17.455 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.410 -19.378 14.812 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.090 -19.085 14.159 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -11.881 -17.887 13.495 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -11.057 -20.008 14.209 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -10.668 -17.615 12.892 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -9.841 -19.741 13.608 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.646 -18.543 12.949 1.00 0.00 C ATOM 0 H PHE A 80 -12.642 -20.466 17.166 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.314 -17.745 16.205 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.558 -20.457 14.846 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.210 -18.966 14.197 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -12.676 -17.157 13.448 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.204 -20.946 14.723 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.519 -16.678 12.377 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.044 -20.469 13.654 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.697 -18.332 12.479 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.835 -18.082 16.398 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.226 -18.151 16.830 1.00 0.00 C ATOM 1142 C ARG A 81 -17.993 -19.199 16.029 1.00 0.00 C ATOM 1143 O ARG A 81 -18.012 -19.163 14.798 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.897 -16.785 16.679 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.616 -15.837 17.833 1.00 0.00 C ATOM 1146 CD ARG A 81 -16.259 -15.168 17.686 1.00 0.00 C ATOM 1147 NE ARG A 81 -16.341 -13.925 16.923 1.00 0.00 N ATOM 1148 CZ ARG A 81 -16.854 -12.799 17.406 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -17.326 -12.759 18.644 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -16.894 -11.709 16.650 1.00 0.00 N ATOM 0 H ARG A 81 -15.614 -17.275 15.815 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.240 -18.441 17.881 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.559 -16.324 15.751 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.974 -16.927 16.590 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.395 -15.076 17.878 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.652 -16.386 18.774 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.848 -14.960 18.674 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.569 -15.852 17.191 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.985 -13.922 15.967 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.296 -13.594 19.229 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.719 -11.893 19.012 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.531 -11.736 15.697 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.288 -10.845 17.022 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.624 -20.131 16.735 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.390 -21.190 16.089 1.00 0.00 C ATOM 1166 C TYR A 82 -20.729 -20.663 15.583 1.00 0.00 C ATOM 1167 O TYR A 82 -21.096 -20.880 14.428 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.620 -22.347 17.063 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.508 -23.438 16.508 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.882 -23.257 16.403 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -19.973 -24.650 16.088 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -22.697 -24.251 15.897 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -20.781 -25.649 15.579 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.142 -25.445 15.487 1.00 0.00 C ATOM 1175 OH TYR A 82 -22.950 -26.437 14.981 1.00 0.00 O ATOM 0 H TYR A 82 -18.620 -20.174 17.754 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.816 -21.550 15.235 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.657 -22.778 17.336 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -20.066 -21.957 17.978 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -22.320 -22.323 16.723 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.908 -24.814 16.161 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -23.763 -24.094 15.823 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -20.349 -26.584 15.255 1.00 0.00 H new ATOM 0 HH TYR A 82 -23.728 -26.033 14.542 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.453 -19.969 16.455 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.751 -19.411 16.097 1.00 0.00 C ATOM 1187 C GLU A 83 -22.645 -18.548 14.843 1.00 0.00 C ATOM 1188 O GLU A 83 -23.631 -18.336 14.136 1.00 0.00 O ATOM 1189 CB GLU A 83 -23.312 -18.581 17.254 1.00 0.00 C ATOM 1190 CG GLU A 83 -22.394 -17.453 17.695 1.00 0.00 C ATOM 1191 CD GLU A 83 -22.890 -16.753 18.945 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -24.092 -16.416 18.999 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -22.078 -16.541 19.869 1.00 0.00 O ATOM 0 H GLU A 83 -21.163 -19.780 17.414 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.429 -20.239 15.892 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -24.273 -18.161 16.956 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -23.501 -19.238 18.103 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -21.396 -17.852 17.878 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -22.304 -16.726 16.888 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.443 -18.051 14.574 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.206 -17.211 13.405 1.00 0.00 C ATOM 1202 C ASP A 84 -20.844 -18.060 12.190 1.00 0.00 C ATOM 1203 O ASP A 84 -21.283 -17.784 11.074 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.090 -16.206 13.691 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.603 -14.944 14.357 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -20.892 -14.990 15.571 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -20.718 -13.912 13.664 1.00 0.00 O ATOM 0 H ASP A 84 -20.617 -18.215 15.150 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.126 -16.668 13.186 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.341 -16.672 14.331 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.593 -15.944 12.757 1.00 0.00 H new ATOM 1212 N VAL A 85 -20.039 -19.094 12.415 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.618 -19.983 11.340 1.00 0.00 C ATOM 1214 C VAL A 85 -20.821 -20.558 10.599 1.00 0.00 C ATOM 1215 O VAL A 85 -21.793 -20.996 11.217 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.756 -21.142 11.874 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.386 -22.096 10.749 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.510 -20.606 12.561 1.00 0.00 C ATOM 0 H VAL A 85 -19.666 -19.336 13.333 1.00 0.00 H new ATOM 0 HA VAL A 85 -19.022 -19.385 10.651 1.00 0.00 H new ATOM 0 HB VAL A 85 -19.339 -21.696 12.610 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.777 -22.908 11.146 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.294 -22.506 10.306 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.822 -21.558 9.987 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.913 -21.439 12.932 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.922 -20.027 11.849 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.801 -19.968 13.395 1.00 0.00 H new ATOM 1228 N LEU A 86 -20.749 -20.555 9.273 1.00 0.00 N ATOM 1229 CA LEU A 86 -21.832 -21.077 8.447 1.00 0.00 C ATOM 1230 C LEU A 86 -21.614 -22.554 8.133 1.00 0.00 C ATOM 1231 O LEU A 86 -21.401 -22.928 6.980 1.00 0.00 O ATOM 1232 CB LEU A 86 -21.938 -20.278 7.146 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.332 -20.192 6.523 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -24.070 -21.512 6.684 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.126 -19.055 7.148 1.00 0.00 C ATOM 0 H LEU A 86 -19.952 -20.197 8.747 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.763 -20.976 9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.583 -19.265 7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -21.262 -20.721 6.415 1.00 0.00 H new ATOM 0 HG LEU A 86 -23.222 -19.988 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -25.060 -21.432 6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -23.510 -22.305 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -24.170 -21.746 7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.115 -19.009 6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -24.227 -19.228 8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -23.605 -18.112 6.980 1.00 0.00 H new ATOM 1247 N TRP A 87 -21.672 -23.387 9.166 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.484 -24.823 9.000 1.00 0.00 C ATOM 1249 C TRP A 87 -22.445 -25.381 7.955 1.00 0.00 C ATOM 1250 O TRP A 87 -23.566 -24.901 7.790 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.688 -25.543 10.334 1.00 0.00 C ATOM 1252 CG TRP A 87 -21.059 -24.832 11.494 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.613 -23.830 12.239 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.757 -25.067 12.040 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.734 -23.429 13.215 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.588 -24.173 13.115 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.718 -25.948 11.727 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -18.422 -24.135 13.875 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.561 -25.909 12.482 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.421 -25.008 13.547 1.00 0.00 C ATOM 0 H TRP A 87 -21.848 -23.093 10.127 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.464 -24.993 8.656 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.756 -25.653 10.520 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.272 -26.548 10.264 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.598 -23.414 12.083 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.906 -22.696 13.903 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -18.818 -26.647 10.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -18.312 -23.441 14.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.751 -26.584 12.248 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.505 -25.003 14.120 1.00 0.00 H new ATOM 1271 N PRO A 88 -21.998 -26.419 7.233 1.00 0.00 N ATOM 1272 CA PRO A 88 -22.803 -27.065 6.192 1.00 0.00 C ATOM 1273 C PRO A 88 -23.978 -27.847 6.771 1.00 0.00 C ATOM 1274 O PRO A 88 -23.845 -28.513 7.797 1.00 0.00 O ATOM 1275 CB PRO A 88 -21.812 -28.013 5.513 1.00 0.00 C ATOM 1276 CG PRO A 88 -20.785 -28.297 6.554 1.00 0.00 C ATOM 1277 CD PRO A 88 -20.671 -27.042 7.376 1.00 0.00 C ATOM 0 HA PRO A 88 -23.251 -26.339 5.514 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.303 -28.928 5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.365 -27.554 4.631 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.081 -29.144 7.173 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -19.828 -28.554 6.099 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.441 -27.264 8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -19.879 -26.390 7.007 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.125 -27.762 6.105 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.322 -28.462 6.555 1.00 0.00 C ATOM 1287 C GLU A 89 -26.061 -29.960 6.682 1.00 0.00 C ATOM 1288 O GLU A 89 -26.622 -30.628 7.550 1.00 0.00 O ATOM 1289 CB GLU A 89 -27.479 -28.216 5.584 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.154 -28.579 4.145 1.00 0.00 C ATOM 1291 CD GLU A 89 -28.390 -28.657 3.270 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -28.786 -27.613 2.710 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -28.960 -29.760 3.145 1.00 0.00 O ATOM 0 H GLU A 89 -25.251 -27.216 5.253 1.00 0.00 H new ATOM 0 HA GLU A 89 -26.592 -28.073 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.344 -28.794 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -27.763 -27.165 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -26.468 -27.839 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -26.637 -29.539 4.124 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.206 -30.482 5.808 1.00 0.00 N ATOM 1301 CA ALA A 90 -24.868 -31.900 5.823 1.00 0.00 C ATOM 1302 C ALA A 90 -24.706 -32.411 7.250 1.00 0.00 C ATOM 1303 O ALA A 90 -25.071 -33.544 7.559 1.00 0.00 O ATOM 1304 CB ALA A 90 -23.598 -32.148 5.023 1.00 0.00 C ATOM 0 H ALA A 90 -24.735 -29.944 5.081 1.00 0.00 H new ATOM 0 HA ALA A 90 -25.688 -32.449 5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.357 -33.211 5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -23.750 -31.829 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.776 -31.582 5.461 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.154 -31.567 8.116 1.00 0.00 N ATOM 1311 CA ALA A 91 -23.944 -31.934 9.512 1.00 0.00 C ATOM 1312 C ALA A 91 -25.271 -32.037 10.257 1.00 0.00 C ATOM 1313 O ALA A 91 -25.923 -31.028 10.526 1.00 0.00 O ATOM 1314 CB ALA A 91 -23.032 -30.923 10.191 1.00 0.00 C ATOM 0 H ALA A 91 -23.844 -30.625 7.876 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.466 -32.913 9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.884 -31.209 11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -22.069 -30.901 9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.489 -29.934 10.148 1.00 0.00 H new ATOM 1320 N SER A 92 -25.664 -33.263 10.589 1.00 0.00 N ATOM 1321 CA SER A 92 -26.915 -33.498 11.300 1.00 0.00 C ATOM 1322 C SER A 92 -26.760 -33.195 12.787 1.00 0.00 C ATOM 1323 O SER A 92 -27.668 -32.655 13.420 1.00 0.00 O ATOM 1324 CB SER A 92 -27.371 -34.946 11.107 1.00 0.00 C ATOM 1325 OG SER A 92 -26.374 -35.856 11.538 1.00 0.00 O ATOM 0 H SER A 92 -25.134 -34.108 10.377 1.00 0.00 H new ATOM 0 HA SER A 92 -27.670 -32.829 10.888 1.00 0.00 H new ATOM 0 HB2 SER A 92 -28.291 -35.118 11.665 1.00 0.00 H new ATOM 0 HB3 SER A 92 -27.598 -35.122 10.056 1.00 0.00 H new ATOM 0 HG SER A 92 -26.690 -36.774 11.406 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.604 -33.546 13.338 1.00 0.00 N ATOM 1332 CA ASP A 93 -25.327 -33.312 14.751 1.00 0.00 C ATOM 1333 C ASP A 93 -24.499 -32.045 14.939 1.00 0.00 C ATOM 1334 O ASP A 93 -23.687 -31.691 14.085 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.594 -34.510 15.355 1.00 0.00 C ATOM 1336 CG ASP A 93 -24.836 -34.646 16.845 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -26.002 -34.851 17.241 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -23.858 -34.546 17.617 1.00 0.00 O ATOM 0 H ASP A 93 -24.843 -33.994 12.828 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.279 -33.182 15.266 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.918 -35.421 14.853 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.524 -34.408 15.171 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.711 -31.367 16.063 1.00 0.00 N ATOM 1344 CA GLU A 94 -23.984 -30.138 16.362 1.00 0.00 C ATOM 1345 C GLU A 94 -22.513 -30.431 16.640 1.00 0.00 C ATOM 1346 O GLU A 94 -21.635 -29.636 16.301 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.611 -29.429 17.564 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.765 -30.320 18.785 1.00 0.00 C ATOM 1349 CD GLU A 94 -26.074 -31.084 18.788 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -27.049 -30.595 18.180 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -26.124 -32.172 19.399 1.00 0.00 O ATOM 0 H GLU A 94 -25.379 -31.647 16.781 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.048 -29.486 15.491 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.997 -28.568 17.828 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.591 -29.046 17.279 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.936 -31.027 18.821 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -24.703 -29.709 19.686 1.00 0.00 H new ATOM 1358 N THR A 95 -22.250 -31.577 17.260 1.00 0.00 N ATOM 1359 CA THR A 95 -20.886 -31.974 17.585 1.00 0.00 C ATOM 1360 C THR A 95 -20.158 -32.502 16.354 1.00 0.00 C ATOM 1361 O THR A 95 -18.929 -32.486 16.292 1.00 0.00 O ATOM 1362 CB THR A 95 -20.863 -33.054 18.684 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.731 -32.678 19.759 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.451 -33.257 19.213 1.00 0.00 C ATOM 0 H THR A 95 -22.964 -32.247 17.547 1.00 0.00 H new ATOM 0 HA THR A 95 -20.376 -31.083 17.950 1.00 0.00 H new ATOM 0 HB THR A 95 -21.210 -33.991 18.249 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.712 -33.370 20.452 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.459 -34.024 19.988 1.00 0.00 H new ATOM 0 HG22 THR A 95 -18.799 -33.571 18.398 1.00 0.00 H new ATOM 0 HG23 THR A 95 -19.082 -32.321 19.633 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.925 -32.971 15.375 1.00 0.00 N ATOM 1373 CA LYS A 96 -20.354 -33.502 14.143 1.00 0.00 C ATOM 1374 C LYS A 96 -19.334 -32.533 13.554 1.00 0.00 C ATOM 1375 O LYS A 96 -18.263 -32.940 13.103 1.00 0.00 O ATOM 1376 CB LYS A 96 -21.459 -33.780 13.123 1.00 0.00 C ATOM 1377 CG LYS A 96 -20.937 -34.176 11.753 1.00 0.00 C ATOM 1378 CD LYS A 96 -20.816 -35.685 11.617 1.00 0.00 C ATOM 1379 CE LYS A 96 -19.543 -36.203 12.269 1.00 0.00 C ATOM 1380 NZ LYS A 96 -19.767 -36.595 13.688 1.00 0.00 N ATOM 0 H LYS A 96 -21.944 -32.994 15.411 1.00 0.00 H new ATOM 0 HA LYS A 96 -19.845 -34.436 14.381 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -22.100 -34.576 13.502 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.081 -32.891 13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -21.607 -33.793 10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -19.963 -33.716 11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -21.682 -36.163 12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -20.823 -35.958 10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.172 -37.061 11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.772 -35.434 12.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.022 -36.181 14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -20.695 -36.247 14.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.740 -37.631 13.770 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.674 -31.248 13.560 1.00 0.00 N ATOM 1395 CA LYS A 97 -18.788 -30.220 13.029 1.00 0.00 C ATOM 1396 C LYS A 97 -17.725 -29.835 14.053 1.00 0.00 C ATOM 1397 O LYS A 97 -16.589 -29.523 13.695 1.00 0.00 O ATOM 1398 CB LYS A 97 -19.593 -28.983 12.624 1.00 0.00 C ATOM 1399 CG LYS A 97 -20.714 -28.644 13.591 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.015 -29.324 13.198 1.00 0.00 C ATOM 1401 CE LYS A 97 -22.841 -28.450 12.268 1.00 0.00 C ATOM 1402 NZ LYS A 97 -24.272 -28.862 12.246 1.00 0.00 N ATOM 0 H LYS A 97 -20.557 -30.894 13.927 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.289 -30.626 12.149 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.919 -28.130 12.549 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.016 -29.144 11.632 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.432 -28.951 14.598 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -20.860 -27.564 13.616 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -21.797 -30.273 12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.593 -29.552 14.094 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -22.767 -27.410 12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -22.432 -28.505 11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -24.709 -28.553 11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.336 -29.897 12.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -24.772 -28.424 13.046 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.101 -29.860 15.327 1.00 0.00 N ATOM 1417 CA ARG A 98 -17.180 -29.514 16.403 1.00 0.00 C ATOM 1418 C ARG A 98 -15.979 -30.455 16.415 1.00 0.00 C ATOM 1419 O ARG A 98 -14.872 -30.063 16.784 1.00 0.00 O ATOM 1420 CB ARG A 98 -17.896 -29.566 17.753 1.00 0.00 C ATOM 1421 CG ARG A 98 -19.009 -28.541 17.893 1.00 0.00 C ATOM 1422 CD ARG A 98 -19.205 -28.125 19.342 1.00 0.00 C ATOM 1423 NE ARG A 98 -20.586 -27.736 19.618 1.00 0.00 N ATOM 1424 CZ ARG A 98 -20.953 -27.036 20.686 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -20.046 -26.650 21.573 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -22.229 -26.720 20.867 1.00 0.00 N ATOM 0 H ARG A 98 -19.037 -30.116 15.640 1.00 0.00 H new ATOM 0 HA ARG A 98 -16.823 -28.499 16.228 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -18.312 -30.563 17.896 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -17.167 -29.408 18.548 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -18.775 -27.664 17.290 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -19.939 -28.956 17.504 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -18.923 -28.949 19.997 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -18.541 -27.292 19.573 1.00 0.00 H new ATOM 0 HE ARG A 98 -21.308 -28.017 18.954 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -19.064 -26.890 21.436 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -20.330 -26.113 22.392 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -22.929 -27.015 20.186 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -22.510 -26.183 21.687 1.00 0.00 H new ATOM 1440 N THR A 99 -16.206 -31.701 16.008 1.00 0.00 N ATOM 1441 CA THR A 99 -15.145 -32.699 15.974 1.00 0.00 C ATOM 1442 C THR A 99 -14.463 -32.729 14.611 1.00 0.00 C ATOM 1443 O THR A 99 -13.562 -33.534 14.375 1.00 0.00 O ATOM 1444 CB THR A 99 -15.685 -34.105 16.296 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.770 -34.011 17.227 1.00 0.00 O ATOM 1446 CG2 THR A 99 -14.589 -34.987 16.875 1.00 0.00 C ATOM 0 H THR A 99 -17.116 -32.042 15.697 1.00 0.00 H new ATOM 0 HA THR A 99 -14.419 -32.414 16.735 1.00 0.00 H new ATOM 0 HB THR A 99 -16.039 -34.555 15.369 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.545 -33.606 16.786 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.995 -35.975 17.094 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.778 -35.080 16.153 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.208 -34.539 17.793 1.00 0.00 H new ATOM 1454 N ALA A 100 -14.899 -31.848 13.717 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.328 -31.772 12.378 1.00 0.00 C ATOM 1456 C ALA A 100 -12.884 -31.282 12.423 1.00 0.00 C ATOM 1457 O ALA A 100 -12.121 -31.481 11.478 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.169 -30.861 11.496 1.00 0.00 C ATOM 0 H ALA A 100 -15.646 -31.177 13.896 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.330 -32.775 11.952 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -14.731 -30.814 10.499 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.183 -31.255 11.428 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.197 -29.861 11.928 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.517 -30.640 13.527 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.165 -30.120 13.695 1.00 0.00 C ATOM 1466 C PHE A 101 -10.357 -31.001 14.643 1.00 0.00 C ATOM 1467 O PHE A 101 -9.457 -30.525 15.335 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.210 -28.686 14.227 1.00 0.00 C ATOM 1469 CG PHE A 101 -11.682 -27.685 13.211 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -10.897 -27.369 12.114 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -12.909 -27.059 13.355 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.329 -26.449 11.177 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.346 -26.138 12.422 1.00 0.00 C ATOM 1474 CZ PHE A 101 -12.555 -25.832 11.332 1.00 0.00 C ATOM 0 H PHE A 101 -13.137 -30.467 14.319 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.678 -30.124 12.720 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.869 -28.649 15.095 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.215 -28.403 14.570 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.937 -27.847 11.989 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.531 -27.293 14.206 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.709 -26.213 10.325 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.306 -25.658 12.545 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.894 -25.112 10.602 1.00 0.00 H new ATOM 1484 N ALA A 102 -10.686 -32.289 14.670 1.00 0.00 N ATOM 1485 CA ALA A 102 -9.991 -33.237 15.532 1.00 0.00 C ATOM 1486 C ALA A 102 -8.547 -33.433 15.080 1.00 0.00 C ATOM 1487 O ALA A 102 -8.292 -33.926 13.982 1.00 0.00 O ATOM 1488 CB ALA A 102 -10.726 -34.569 15.551 1.00 0.00 C ATOM 0 H ALA A 102 -11.429 -32.699 14.105 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.975 -32.829 16.543 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.196 -35.268 16.199 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.738 -34.421 15.928 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.771 -34.974 14.540 1.00 0.00 H new ATOM 1494 N GLY A 103 -7.606 -33.044 15.935 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.200 -33.185 15.605 1.00 0.00 C ATOM 1496 C GLY A 103 -5.525 -31.850 15.361 1.00 0.00 C ATOM 1497 O GLY A 103 -4.334 -31.688 15.629 1.00 0.00 O ATOM 0 H GLY A 103 -7.792 -32.634 16.850 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.690 -33.704 16.417 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.099 -33.807 14.716 1.00 0.00 H new ATOM 1501 N THR A 104 -6.287 -30.888 14.848 1.00 0.00 N ATOM 1502 CA THR A 104 -5.755 -29.561 14.564 1.00 0.00 C ATOM 1503 C THR A 104 -5.811 -28.671 15.800 1.00 0.00 C ATOM 1504 O THR A 104 -6.596 -28.914 16.717 1.00 0.00 O ATOM 1505 CB THR A 104 -6.527 -28.879 13.419 1.00 0.00 C ATOM 1506 OG1 THR A 104 -7.857 -28.563 13.845 1.00 0.00 O ATOM 1507 CG2 THR A 104 -6.583 -29.779 12.193 1.00 0.00 C ATOM 0 H THR A 104 -7.275 -31.004 14.621 1.00 0.00 H new ATOM 0 HA THR A 104 -4.716 -29.695 14.262 1.00 0.00 H new ATOM 0 HB THR A 104 -6.003 -27.961 13.153 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.232 -29.323 14.337 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.133 -29.276 11.397 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.570 -29.995 11.853 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.086 -30.711 12.449 1.00 0.00 H new ATOM 1515 N ALA A 105 -4.975 -27.638 15.819 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.932 -26.710 16.941 1.00 0.00 C ATOM 1517 C ALA A 105 -6.101 -25.733 16.891 1.00 0.00 C ATOM 1518 O ALA A 105 -6.167 -24.788 17.679 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.611 -25.955 16.951 1.00 0.00 C ATOM 0 H ALA A 105 -4.318 -27.423 15.069 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.015 -27.288 17.861 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.593 -25.265 17.795 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.788 -26.663 17.044 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.505 -25.395 16.022 1.00 0.00 H new ATOM 1525 N ILE A 106 -7.021 -25.965 15.961 1.00 0.00 N ATOM 1526 CA ILE A 106 -8.188 -25.105 15.809 1.00 0.00 C ATOM 1527 C ILE A 106 -9.226 -25.392 16.889 1.00 0.00 C ATOM 1528 O ILE A 106 -9.668 -26.529 17.054 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.841 -25.282 14.426 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -7.955 -24.671 13.338 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.224 -24.647 14.408 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.126 -25.323 11.983 1.00 0.00 C ATOM 0 H ILE A 106 -6.981 -26.742 15.301 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.838 -24.077 15.908 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.949 -26.348 14.225 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.180 -23.608 13.252 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.911 -24.752 13.642 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.673 -24.780 13.424 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.853 -25.123 15.161 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.139 -23.583 14.627 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.468 -24.840 11.261 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.873 -26.381 12.054 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.161 -25.219 11.657 1.00 0.00 H new ATOM 1544 N SER A 107 -9.611 -24.352 17.622 1.00 0.00 N ATOM 1545 CA SER A 107 -10.596 -24.492 18.689 1.00 0.00 C ATOM 1546 C SER A 107 -11.864 -23.708 18.364 1.00 0.00 C ATOM 1547 O SER A 107 -11.801 -22.598 17.833 1.00 0.00 O ATOM 1548 CB SER A 107 -10.012 -24.010 20.018 1.00 0.00 C ATOM 1549 OG SER A 107 -9.264 -25.036 20.648 1.00 0.00 O ATOM 0 H SER A 107 -9.256 -23.404 17.497 1.00 0.00 H new ATOM 0 HA SER A 107 -10.854 -25.548 18.775 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.373 -23.144 19.845 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.818 -23.686 20.677 1.00 0.00 H new ATOM 0 HG SER A 107 -8.900 -24.703 21.495 1.00 0.00 H new ATOM 1555 N ILE A 108 -13.013 -24.292 18.685 1.00 0.00 N ATOM 1556 CA ILE A 108 -14.295 -23.649 18.429 1.00 0.00 C ATOM 1557 C ILE A 108 -15.170 -23.650 19.677 1.00 0.00 C ATOM 1558 O ILE A 108 -15.390 -24.693 20.294 1.00 0.00 O ATOM 1559 CB ILE A 108 -15.054 -24.343 17.283 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.261 -23.503 16.858 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.495 -25.736 17.707 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.904 -22.352 15.944 1.00 0.00 C ATOM 0 H ILE A 108 -13.082 -25.210 19.123 1.00 0.00 H new ATOM 0 HA ILE A 108 -14.079 -22.620 18.141 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.383 -24.439 16.429 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.982 -24.147 16.354 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.752 -23.111 17.748 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -16.030 -26.214 16.886 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.620 -26.332 17.965 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -16.152 -25.662 18.574 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.807 -21.801 15.683 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.207 -21.686 16.453 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.440 -22.738 15.036 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.669 -22.474 20.045 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.524 -22.339 21.218 1.00 0.00 C ATOM 1576 C VAL A 109 -17.994 -22.274 20.823 1.00 0.00 C ATOM 1577 O VAL A 109 -18.336 -22.369 19.644 1.00 0.00 O ATOM 1578 CB VAL A 109 -16.166 -21.080 22.031 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.741 -21.172 22.557 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -16.351 -19.830 21.185 1.00 0.00 C ATOM 0 H VAL A 109 -15.496 -21.601 19.547 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.356 -23.222 21.835 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.840 -21.016 22.885 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.506 -20.274 23.129 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.646 -22.047 23.200 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.049 -21.261 21.719 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -16.094 -18.950 21.775 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -15.702 -19.883 20.311 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -17.390 -19.759 20.862 1.00 0.00 H new