USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 MET CE :methyl -111:sc= -1.13 (180deg=-2.87!) USER MOD Set 1.2: A 53 THR OG1 : rot -170:sc= 0 USER MOD Single : A 20 THR OG1 : rot -32:sc= 0.133 USER MOD Single : A 22 THR OG1 : rot 33:sc= 1.08 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -166:sc= -0.0604 (180deg=-0.357) USER MOD Single : A 35 THR OG1 : rot -108:sc= 0.0435 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -0.836 (180deg=-0.836) USER MOD Single : A 52 THR OG1 : rot -70:sc= -0.0254 USER MOD Single : A 67 GLN : amide:sc= -3.44! K(o=-3.4!,f=-2.5) USER MOD Single : A 68 THR OG1 : rot -37:sc= 0.522 USER MOD Single : A 69 SER OG : rot 110:sc= -0.0341 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -30:sc= 0.198! 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 76:sc= 0.872 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130: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+ 160:sc= 0 (180deg=-0.256) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 94:sc= 0.389 USER MOD Single : A 104 THR OG1 : rot -23:sc= 0.221 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 282 N THR A 20 -2.679 -17.235 8.186 1.00 0.00 N ATOM 283 CA THR A 20 -3.669 -17.762 7.256 1.00 0.00 C ATOM 284 C THR A 20 -3.004 -18.548 6.131 1.00 0.00 C ATOM 285 O THR A 20 -1.882 -18.242 5.727 1.00 0.00 O ATOM 286 CB THR A 20 -4.522 -16.635 6.644 1.00 0.00 C ATOM 287 OG1 THR A 20 -3.673 -15.632 6.075 1.00 0.00 O ATOM 288 CG2 THR A 20 -5.422 -16.006 7.697 1.00 0.00 C ATOM 0 HA THR A 20 -4.316 -18.427 7.828 1.00 0.00 H new ATOM 0 HB THR A 20 -5.148 -17.066 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.842 -15.576 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.015 -15.213 7.242 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.087 -16.766 8.108 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.810 -15.588 8.496 1.00 0.00 H new ATOM 296 N ALA A 21 -3.702 -19.561 5.630 1.00 0.00 N ATOM 297 CA ALA A 21 -3.180 -20.388 4.549 1.00 0.00 C ATOM 298 C ALA A 21 -3.819 -20.017 3.216 1.00 0.00 C ATOM 299 O ALA A 21 -4.879 -19.393 3.175 1.00 0.00 O ATOM 300 CB ALA A 21 -3.408 -21.861 4.855 1.00 0.00 C ATOM 0 H ALA A 21 -4.631 -19.829 5.955 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.108 -20.206 4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.013 -22.467 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.898 -22.123 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.476 -22.049 4.963 1.00 0.00 H new ATOM 306 N THR A 22 -3.166 -20.405 2.124 1.00 0.00 N ATOM 307 CA THR A 22 -3.670 -20.112 0.788 1.00 0.00 C ATOM 308 C THR A 22 -3.777 -21.380 -0.050 1.00 0.00 C ATOM 309 O THR A 22 -2.767 -21.952 -0.459 1.00 0.00 O ATOM 310 CB THR A 22 -2.766 -19.101 0.057 1.00 0.00 C ATOM 311 OG1 THR A 22 -1.463 -19.662 -0.141 1.00 0.00 O ATOM 312 CG2 THR A 22 -2.652 -17.806 0.847 1.00 0.00 C ATOM 0 H THR A 22 -2.287 -20.923 2.139 1.00 0.00 H new ATOM 0 HA THR A 22 -4.662 -19.678 0.912 1.00 0.00 H new ATOM 0 HB THR A 22 -3.216 -18.879 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.540 -20.630 -0.276 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.009 -17.108 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.642 -17.366 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.223 -18.014 1.827 1.00 0.00 H new ATOM 320 N ALA A 23 -5.007 -21.815 -0.303 1.00 0.00 N ATOM 321 CA ALA A 23 -5.246 -23.014 -1.096 1.00 0.00 C ATOM 322 C ALA A 23 -5.307 -22.686 -2.584 1.00 0.00 C ATOM 323 O ALA A 23 -5.604 -21.561 -2.984 1.00 0.00 O ATOM 324 CB ALA A 23 -6.532 -23.694 -0.650 1.00 0.00 C ATOM 0 H ALA A 23 -5.854 -21.354 0.030 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.412 -23.697 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.698 -24.588 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.451 -23.973 0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.370 -23.009 -0.780 1.00 0.00 H new ATOM 330 N PRO A 24 -5.018 -23.691 -3.424 1.00 0.00 N ATOM 331 CA PRO A 24 -5.034 -23.533 -4.882 1.00 0.00 C ATOM 332 C PRO A 24 -6.445 -23.349 -5.430 1.00 0.00 C ATOM 333 O PRO A 24 -6.647 -23.291 -6.642 1.00 0.00 O ATOM 334 CB PRO A 24 -4.431 -24.846 -5.387 1.00 0.00 C ATOM 335 CG PRO A 24 -4.709 -25.832 -4.305 1.00 0.00 C ATOM 336 CD PRO A 24 -4.656 -25.059 -3.017 1.00 0.00 C ATOM 0 HA PRO A 24 -4.488 -22.646 -5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.885 -25.154 -6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.360 -24.747 -5.567 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.686 -26.296 -4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.971 -26.634 -4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.354 -25.457 -2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.664 -25.095 -2.567 1.00 0.00 H new ATOM 344 N GLY A 25 -7.418 -23.256 -4.529 1.00 0.00 N ATOM 345 CA GLY A 25 -8.797 -23.079 -4.942 1.00 0.00 C ATOM 346 C GLY A 25 -9.252 -24.146 -5.918 1.00 0.00 C ATOM 347 O GLY A 25 -8.838 -24.155 -7.076 1.00 0.00 O ATOM 0 H GLY A 25 -7.275 -23.300 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.441 -23.097 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.912 -22.098 -5.402 1.00 0.00 H new ATOM 351 N GLY A 26 -10.107 -25.050 -5.448 1.00 0.00 N ATOM 352 CA GLY A 26 -10.602 -26.115 -6.300 1.00 0.00 C ATOM 353 C GLY A 26 -12.065 -26.425 -6.049 1.00 0.00 C ATOM 354 O GLY A 26 -12.506 -27.561 -6.228 1.00 0.00 O ATOM 0 H GLY A 26 -10.465 -25.063 -4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.467 -25.833 -7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.009 -27.015 -6.134 1.00 0.00 H new ATOM 358 N LEU A 27 -12.819 -25.414 -5.633 1.00 0.00 N ATOM 359 CA LEU A 27 -14.241 -25.584 -5.356 1.00 0.00 C ATOM 360 C LEU A 27 -15.020 -25.843 -6.642 1.00 0.00 C ATOM 361 O LEU A 27 -14.566 -25.501 -7.734 1.00 0.00 O ATOM 362 CB LEU A 27 -14.795 -24.344 -4.651 1.00 0.00 C ATOM 363 CG LEU A 27 -14.787 -24.382 -3.123 1.00 0.00 C ATOM 364 CD1 LEU A 27 -14.620 -22.980 -2.556 1.00 0.00 C ATOM 365 CD2 LEU A 27 -16.064 -25.022 -2.598 1.00 0.00 C ATOM 0 H LEU A 27 -12.470 -24.468 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.358 -26.449 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.219 -23.478 -4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.821 -24.188 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.941 -24.988 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.617 -23.026 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.678 -22.556 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.446 -22.352 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.040 -25.040 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.925 -24.444 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.142 -26.041 -2.976 1.00 0.00 H new ATOM 377 N SER A 28 -16.196 -26.447 -6.504 1.00 0.00 N ATOM 378 CA SER A 28 -17.037 -26.752 -7.655 1.00 0.00 C ATOM 379 C SER A 28 -18.272 -25.857 -7.678 1.00 0.00 C ATOM 380 O SER A 28 -19.041 -25.865 -8.639 1.00 0.00 O ATOM 381 CB SER A 28 -17.460 -28.222 -7.628 1.00 0.00 C ATOM 382 OG SER A 28 -18.150 -28.533 -6.429 1.00 0.00 O ATOM 0 H SER A 28 -16.588 -26.735 -5.607 1.00 0.00 H new ATOM 0 HA SER A 28 -16.456 -26.564 -8.558 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.099 -28.435 -8.485 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.580 -28.859 -7.720 1.00 0.00 H new ATOM 0 HG SER A 28 -18.411 -29.478 -6.437 1.00 0.00 H new ATOM 388 N ALA A 29 -18.455 -25.084 -6.612 1.00 0.00 N ATOM 389 CA ALA A 29 -19.595 -24.181 -6.510 1.00 0.00 C ATOM 390 C ALA A 29 -19.295 -23.024 -5.563 1.00 0.00 C ATOM 391 O ALA A 29 -18.303 -23.046 -4.833 1.00 0.00 O ATOM 392 CB ALA A 29 -20.829 -24.939 -6.046 1.00 0.00 C ATOM 0 H ALA A 29 -17.829 -25.065 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 29 -19.788 -23.766 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.672 -24.252 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -21.063 -25.727 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.638 -25.382 -5.069 1.00 0.00 H new ATOM 398 N LYS A 30 -20.157 -22.013 -5.580 1.00 0.00 N ATOM 399 CA LYS A 30 -19.985 -20.846 -4.722 1.00 0.00 C ATOM 400 C LYS A 30 -20.147 -21.223 -3.253 1.00 0.00 C ATOM 401 O LYS A 30 -21.081 -21.934 -2.884 1.00 0.00 O ATOM 402 CB LYS A 30 -20.996 -19.760 -5.096 1.00 0.00 C ATOM 403 CG LYS A 30 -22.438 -20.237 -5.071 1.00 0.00 C ATOM 404 CD LYS A 30 -23.377 -19.205 -5.674 1.00 0.00 C ATOM 405 CE LYS A 30 -23.543 -19.412 -7.172 1.00 0.00 C ATOM 406 NZ LYS A 30 -23.925 -18.151 -7.867 1.00 0.00 N ATOM 0 H LYS A 30 -20.982 -21.978 -6.179 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.976 -20.461 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.887 -18.922 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.763 -19.386 -6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.522 -21.173 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.736 -20.445 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.350 -19.268 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.990 -18.204 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -22.611 -19.790 -7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.305 -20.171 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.028 -18.334 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.827 -17.803 -7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -23.186 -17.434 -7.717 1.00 0.00 H new ATOM 420 N ALA A 31 -19.232 -20.740 -2.419 1.00 0.00 N ATOM 421 CA ALA A 31 -19.276 -21.023 -0.990 1.00 0.00 C ATOM 422 C ALA A 31 -18.985 -19.768 -0.172 1.00 0.00 C ATOM 423 O ALA A 31 -18.002 -19.064 -0.401 1.00 0.00 O ATOM 424 CB ALA A 31 -18.287 -22.124 -0.639 1.00 0.00 C ATOM 0 H ALA A 31 -18.451 -20.151 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.282 -21.361 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.331 -22.325 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.541 -23.030 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.279 -21.807 -0.908 1.00 0.00 H new ATOM 430 N PRO A 32 -19.860 -19.481 0.803 1.00 0.00 N ATOM 431 CA PRO A 32 -19.718 -18.310 1.674 1.00 0.00 C ATOM 432 C PRO A 32 -18.541 -18.441 2.634 1.00 0.00 C ATOM 433 O PRO A 32 -18.066 -19.545 2.901 1.00 0.00 O ATOM 434 CB PRO A 32 -21.039 -18.281 2.447 1.00 0.00 C ATOM 435 CG PRO A 32 -21.514 -19.693 2.439 1.00 0.00 C ATOM 436 CD PRO A 32 -21.055 -20.277 1.131 1.00 0.00 C ATOM 0 HA PRO A 32 -19.521 -17.401 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -20.894 -17.918 3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.761 -17.618 1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.101 -20.249 3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.599 -19.740 2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.819 -21.337 1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.821 -20.188 0.360 1.00 0.00 H new ATOM 444 N ALA A 33 -18.075 -17.309 3.150 1.00 0.00 N ATOM 445 CA ALA A 33 -16.955 -17.298 4.083 1.00 0.00 C ATOM 446 C ALA A 33 -17.412 -17.659 5.493 1.00 0.00 C ATOM 447 O ALA A 33 -18.580 -17.974 5.715 1.00 0.00 O ATOM 448 CB ALA A 33 -16.278 -15.936 4.078 1.00 0.00 C ATOM 0 H ALA A 33 -18.456 -16.387 2.938 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.236 -18.050 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.443 -15.942 4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.909 -15.717 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.996 -15.172 4.375 1.00 0.00 H new ATOM 454 N MET A 34 -16.482 -17.611 6.441 1.00 0.00 N ATOM 455 CA MET A 34 -16.790 -17.933 7.830 1.00 0.00 C ATOM 456 C MET A 34 -17.367 -19.340 7.946 1.00 0.00 C ATOM 457 O MET A 34 -18.437 -19.538 8.523 1.00 0.00 O ATOM 458 CB MET A 34 -17.776 -16.915 8.405 1.00 0.00 C ATOM 459 CG MET A 34 -17.126 -15.605 8.819 1.00 0.00 C ATOM 460 SD MET A 34 -15.775 -15.840 9.990 1.00 0.00 S ATOM 461 CE MET A 34 -16.654 -16.546 11.382 1.00 0.00 C ATOM 0 H MET A 34 -15.510 -17.353 6.273 1.00 0.00 H new ATOM 0 HA MET A 34 -15.863 -17.892 8.401 1.00 0.00 H new ATOM 0 HB2 MET A 34 -18.547 -16.710 7.663 1.00 0.00 H new ATOM 0 HB3 MET A 34 -18.274 -17.353 9.270 1.00 0.00 H new ATOM 0 HG2 MET A 34 -16.749 -15.095 7.933 1.00 0.00 H new ATOM 0 HG3 MET A 34 -17.879 -14.955 9.265 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.017 -16.518 12.266 1.00 0.00 H new ATOM 0 HE2 MET A 34 -17.561 -15.971 11.569 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.920 -17.579 11.158 1.00 0.00 H new ATOM 471 N THR A 35 -16.652 -20.316 7.395 1.00 0.00 N ATOM 472 CA THR A 35 -17.094 -21.704 7.436 1.00 0.00 C ATOM 473 C THR A 35 -15.916 -22.661 7.288 1.00 0.00 C ATOM 474 O THR A 35 -14.906 -22.347 6.658 1.00 0.00 O ATOM 475 CB THR A 35 -18.123 -21.999 6.329 1.00 0.00 C ATOM 476 OG1 THR A 35 -17.512 -21.857 5.042 1.00 0.00 O ATOM 477 CG2 THR A 35 -19.316 -21.062 6.436 1.00 0.00 C ATOM 0 H THR A 35 -15.764 -20.170 6.915 1.00 0.00 H new ATOM 0 HA THR A 35 -17.563 -21.858 8.408 1.00 0.00 H new ATOM 0 HB THR A 35 -18.474 -23.024 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.845 -21.043 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 35 -20.029 -21.289 5.644 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.796 -21.194 7.406 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.979 -20.030 6.335 1.00 0.00 H new ATOM 485 N PRO A 36 -16.046 -23.857 7.880 1.00 0.00 N ATOM 486 CA PRO A 36 -15.002 -24.885 7.827 1.00 0.00 C ATOM 487 C PRO A 36 -14.848 -25.482 6.432 1.00 0.00 C ATOM 488 O PRO A 36 -15.836 -25.751 5.748 1.00 0.00 O ATOM 489 CB PRO A 36 -15.498 -25.946 8.812 1.00 0.00 C ATOM 490 CG PRO A 36 -16.977 -25.769 8.846 1.00 0.00 C ATOM 491 CD PRO A 36 -17.223 -24.299 8.648 1.00 0.00 C ATOM 0 HA PRO A 36 -14.020 -24.482 8.074 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.227 -26.949 8.483 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.060 -25.805 9.800 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -17.458 -26.354 8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.389 -26.109 9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -18.150 -24.116 8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.303 -23.773 9.599 1.00 0.00 H new ATOM 499 N LEU A 37 -13.603 -25.688 6.016 1.00 0.00 N ATOM 500 CA LEU A 37 -13.320 -26.255 4.703 1.00 0.00 C ATOM 501 C LEU A 37 -12.410 -27.474 4.820 1.00 0.00 C ATOM 502 O LEU A 37 -11.691 -27.631 5.807 1.00 0.00 O ATOM 503 CB LEU A 37 -12.669 -25.204 3.801 1.00 0.00 C ATOM 504 CG LEU A 37 -13.171 -23.770 3.973 1.00 0.00 C ATOM 505 CD1 LEU A 37 -12.066 -22.776 3.648 1.00 0.00 C ATOM 506 CD2 LEU A 37 -14.388 -23.522 3.094 1.00 0.00 C ATOM 0 H LEU A 37 -12.774 -25.471 6.569 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.265 -26.571 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.594 -25.216 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.822 -25.500 2.763 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.464 -23.630 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.441 -21.761 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.222 -22.938 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.742 -22.916 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.732 -22.496 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.121 -23.680 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.185 -24.211 3.373 1.00 0.00 H new ATOM 518 N MET A 38 -12.446 -28.333 3.807 1.00 0.00 N ATOM 519 CA MET A 38 -11.622 -29.536 3.795 1.00 0.00 C ATOM 520 C MET A 38 -10.558 -29.456 2.705 1.00 0.00 C ATOM 521 O MET A 38 -10.779 -28.857 1.651 1.00 0.00 O ATOM 522 CB MET A 38 -12.494 -30.775 3.584 1.00 0.00 C ATOM 523 CG MET A 38 -13.143 -30.834 2.210 1.00 0.00 C ATOM 524 SD MET A 38 -13.477 -32.523 1.672 1.00 0.00 S ATOM 525 CE MET A 38 -14.704 -33.025 2.876 1.00 0.00 C ATOM 0 H MET A 38 -13.037 -28.218 2.984 1.00 0.00 H new ATOM 0 HA MET A 38 -11.122 -29.613 4.760 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.884 -31.667 3.728 1.00 0.00 H new ATOM 0 HB3 MET A 38 -13.273 -30.795 4.346 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.076 -30.271 2.229 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.492 -30.347 1.484 1.00 0.00 H new ATOM 0 HE1 MET A 38 -14.278 -33.779 3.537 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.012 -32.160 3.463 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.570 -33.441 2.361 1.00 0.00 H new ATOM 535 N LEU A 39 -9.405 -30.062 2.964 1.00 0.00 N ATOM 536 CA LEU A 39 -8.306 -30.059 2.005 1.00 0.00 C ATOM 537 C LEU A 39 -8.185 -31.413 1.312 1.00 0.00 C ATOM 538 O LEU A 39 -8.249 -32.459 1.957 1.00 0.00 O ATOM 539 CB LEU A 39 -6.992 -29.712 2.706 1.00 0.00 C ATOM 540 CG LEU A 39 -5.862 -29.213 1.805 1.00 0.00 C ATOM 541 CD1 LEU A 39 -4.929 -28.294 2.577 1.00 0.00 C ATOM 542 CD2 LEU A 39 -5.091 -30.386 1.217 1.00 0.00 C ATOM 0 H LEU A 39 -9.207 -30.562 3.831 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.517 -29.302 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.195 -28.949 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.642 -30.597 3.237 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.302 -28.645 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.131 -27.949 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.489 -27.436 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.497 -28.837 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.291 -30.012 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.663 -30.981 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.766 -31.006 0.627 1.00 0.00 H new ATOM 626 N LYS A 45 -6.346 -30.042 -3.967 1.00 0.00 N ATOM 627 CA LYS A 45 -7.236 -28.888 -4.022 1.00 0.00 C ATOM 628 C LYS A 45 -8.074 -28.786 -2.752 1.00 0.00 C ATOM 629 O LYS A 45 -8.464 -29.799 -2.169 1.00 0.00 O ATOM 630 CB LYS A 45 -8.154 -28.983 -5.244 1.00 0.00 C ATOM 631 CG LYS A 45 -7.508 -28.494 -6.529 1.00 0.00 C ATOM 632 CD LYS A 45 -8.044 -29.238 -7.740 1.00 0.00 C ATOM 633 CE LYS A 45 -9.312 -28.590 -8.276 1.00 0.00 C ATOM 634 NZ LYS A 45 -9.045 -27.245 -8.857 1.00 0.00 N ATOM 0 HA LYS A 45 -6.622 -27.991 -4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.465 -30.020 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.056 -28.401 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.692 -27.426 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.428 -28.627 -6.468 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.285 -29.257 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.249 -30.274 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.755 -29.233 -9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.042 -28.500 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.934 -26.837 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.646 -26.623 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.368 -27.334 -9.642 1.00 0.00 H new ATOM 648 N LEU A 46 -8.348 -27.557 -2.327 1.00 0.00 N ATOM 649 CA LEU A 46 -9.141 -27.322 -1.125 1.00 0.00 C ATOM 650 C LEU A 46 -10.552 -26.866 -1.484 1.00 0.00 C ATOM 651 O LEU A 46 -10.742 -26.068 -2.402 1.00 0.00 O ATOM 652 CB LEU A 46 -8.464 -26.275 -0.240 1.00 0.00 C ATOM 653 CG LEU A 46 -8.795 -26.341 1.252 1.00 0.00 C ATOM 654 CD1 LEU A 46 -7.622 -25.842 2.081 1.00 0.00 C ATOM 655 CD2 LEU A 46 -10.048 -25.533 1.556 1.00 0.00 C ATOM 0 H LEU A 46 -8.033 -26.708 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.211 -28.261 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.385 -26.373 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.736 -25.286 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.984 -27.381 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.876 -25.896 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.748 -26.463 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.401 -24.809 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.269 -25.591 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.887 -24.492 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.887 -25.936 0.989 1.00 0.00 H new ATOM 667 N VAL A 47 -11.537 -27.376 -0.753 1.00 0.00 N ATOM 668 CA VAL A 47 -12.931 -27.019 -0.992 1.00 0.00 C ATOM 669 C VAL A 47 -13.731 -27.030 0.306 1.00 0.00 C ATOM 670 O VAL A 47 -13.327 -27.647 1.291 1.00 0.00 O ATOM 671 CB VAL A 47 -13.592 -27.979 -1.998 1.00 0.00 C ATOM 672 CG1 VAL A 47 -12.664 -28.242 -3.175 1.00 0.00 C ATOM 673 CG2 VAL A 47 -13.981 -29.281 -1.314 1.00 0.00 C ATOM 0 H VAL A 47 -11.396 -28.038 0.010 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.933 -26.012 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.499 -27.510 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.148 -28.923 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.440 -27.302 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.738 -28.690 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -14.447 -29.948 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.090 -29.757 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.685 -29.073 -0.508 1.00 0.00 H new ATOM 683 N ALA A 48 -14.869 -26.343 0.299 1.00 0.00 N ATOM 684 CA ALA A 48 -15.728 -26.276 1.474 1.00 0.00 C ATOM 685 C ALA A 48 -15.963 -27.663 2.062 1.00 0.00 C ATOM 686 O ALA A 48 -15.890 -28.667 1.355 1.00 0.00 O ATOM 687 CB ALA A 48 -17.054 -25.618 1.122 1.00 0.00 C ATOM 0 H ALA A 48 -15.217 -25.825 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.224 -25.671 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.686 -25.575 2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.873 -24.607 0.756 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -17.555 -26.200 0.348 1.00 0.00 H new ATOM 693 N TRP A 49 -16.244 -27.710 3.359 1.00 0.00 N ATOM 694 CA TRP A 49 -16.489 -28.975 4.043 1.00 0.00 C ATOM 695 C TRP A 49 -17.760 -29.638 3.522 1.00 0.00 C ATOM 696 O TRP A 49 -18.695 -28.959 3.097 1.00 0.00 O ATOM 697 CB TRP A 49 -16.598 -28.751 5.552 1.00 0.00 C ATOM 698 CG TRP A 49 -16.829 -30.014 6.325 1.00 0.00 C ATOM 699 CD1 TRP A 49 -16.307 -31.246 6.056 1.00 0.00 C ATOM 700 CD2 TRP A 49 -17.644 -30.167 7.492 1.00 0.00 C ATOM 701 NE1 TRP A 49 -16.748 -32.157 6.986 1.00 0.00 N ATOM 702 CE2 TRP A 49 -17.569 -31.519 7.878 1.00 0.00 C ATOM 703 CE3 TRP A 49 -18.428 -29.293 8.249 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -18.250 -32.016 8.986 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -19.104 -29.787 9.349 1.00 0.00 C ATOM 706 CH2 TRP A 49 -19.010 -31.138 9.710 1.00 0.00 C ATOM 0 H TRP A 49 -16.308 -26.887 3.958 1.00 0.00 H new ATOM 0 HA TRP A 49 -15.647 -29.637 3.842 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -15.683 -28.277 5.909 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -17.415 -28.057 5.751 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.645 -31.472 5.233 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.504 -33.147 7.008 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -18.505 -28.250 7.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -18.181 -33.057 9.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -19.715 -29.121 9.940 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -19.548 -31.493 10.577 1.00 0.00 H new ATOM 717 N ASP A 50 -17.788 -30.965 3.559 1.00 0.00 N ATOM 718 CA ASP A 50 -18.945 -31.719 3.092 1.00 0.00 C ATOM 719 C ASP A 50 -20.081 -31.655 4.108 1.00 0.00 C ATOM 720 O ASP A 50 -21.226 -31.374 3.757 1.00 0.00 O ATOM 721 CB ASP A 50 -18.560 -33.176 2.830 1.00 0.00 C ATOM 722 CG ASP A 50 -19.624 -33.925 2.053 1.00 0.00 C ATOM 723 OD1 ASP A 50 -20.156 -33.357 1.076 1.00 0.00 O ATOM 724 OD2 ASP A 50 -19.926 -35.080 2.421 1.00 0.00 O ATOM 0 H ASP A 50 -17.022 -31.541 3.908 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.289 -31.269 2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.621 -33.207 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -18.387 -33.680 3.781 1.00 0.00 H new ATOM 729 N GLY A 51 -19.756 -31.920 5.370 1.00 0.00 N ATOM 730 CA GLY A 51 -20.760 -31.888 6.417 1.00 0.00 C ATOM 731 C GLY A 51 -20.863 -33.205 7.161 1.00 0.00 C ATOM 732 O GLY A 51 -21.305 -33.246 8.309 1.00 0.00 O ATOM 0 H GLY A 51 -18.815 -32.156 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.519 -31.093 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.728 -31.644 5.980 1.00 0.00 H new ATOM 736 N THR A 52 -20.456 -34.287 6.504 1.00 0.00 N ATOM 737 CA THR A 52 -20.507 -35.613 7.109 1.00 0.00 C ATOM 738 C THR A 52 -19.106 -36.145 7.386 1.00 0.00 C ATOM 739 O THR A 52 -18.847 -36.723 8.443 1.00 0.00 O ATOM 740 CB THR A 52 -21.255 -36.613 6.207 1.00 0.00 C ATOM 741 OG1 THR A 52 -20.528 -36.813 4.990 1.00 0.00 O ATOM 742 CG2 THR A 52 -22.657 -36.113 5.891 1.00 0.00 C ATOM 0 H THR A 52 -20.087 -34.271 5.553 1.00 0.00 H new ATOM 0 HA THR A 52 -21.046 -35.511 8.051 1.00 0.00 H new ATOM 0 HB THR A 52 -21.336 -37.560 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 52 -20.574 -36.001 4.444 1.00 0.00 H new ATOM 0 HG21 THR A 52 -23.166 -36.836 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 52 -23.217 -35.990 6.818 1.00 0.00 H new ATOM 0 HG23 THR A 52 -22.594 -35.155 5.375 1.00 0.00 H new ATOM 750 N THR A 53 -18.203 -35.947 6.431 1.00 0.00 N ATOM 751 CA THR A 53 -16.827 -36.408 6.573 1.00 0.00 C ATOM 752 C THR A 53 -16.249 -36.006 7.925 1.00 0.00 C ATOM 753 O THR A 53 -16.026 -34.825 8.189 1.00 0.00 O ATOM 754 CB THR A 53 -15.929 -35.845 5.455 1.00 0.00 C ATOM 755 OG1 THR A 53 -16.523 -36.094 4.176 1.00 0.00 O ATOM 756 CG2 THR A 53 -14.544 -36.473 5.507 1.00 0.00 C ATOM 0 H THR A 53 -18.400 -35.471 5.551 1.00 0.00 H new ATOM 0 HA THR A 53 -16.848 -37.495 6.500 1.00 0.00 H new ATOM 0 HB THR A 53 -15.830 -34.770 5.605 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.880 -35.878 3.469 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.927 -36.061 4.708 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.082 -36.257 6.471 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.629 -37.552 5.379 1.00 0.00 H new ATOM 764 N ASP A 54 -16.008 -36.996 8.777 1.00 0.00 N ATOM 765 CA ASP A 54 -15.453 -36.746 10.102 1.00 0.00 C ATOM 766 C ASP A 54 -13.981 -36.354 10.010 1.00 0.00 C ATOM 767 O ASP A 54 -13.208 -36.973 9.281 1.00 0.00 O ATOM 768 CB ASP A 54 -15.610 -37.984 10.987 1.00 0.00 C ATOM 769 CG ASP A 54 -14.577 -39.050 10.679 1.00 0.00 C ATOM 770 OD1 ASP A 54 -14.370 -39.347 9.484 1.00 0.00 O ATOM 771 OD2 ASP A 54 -13.976 -39.587 11.633 1.00 0.00 O ATOM 0 H ASP A 54 -16.188 -37.979 8.574 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.004 -35.918 10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.526 -37.692 12.034 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.608 -38.400 10.852 1.00 0.00 H new ATOM 776 N GLY A 55 -13.601 -35.321 10.756 1.00 0.00 N ATOM 777 CA GLY A 55 -12.224 -34.864 10.743 1.00 0.00 C ATOM 778 C GLY A 55 -11.787 -34.377 9.376 1.00 0.00 C ATOM 779 O GLY A 55 -10.621 -34.511 9.005 1.00 0.00 O ATOM 0 H GLY A 55 -14.222 -34.793 11.369 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.105 -34.058 11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.572 -35.677 11.061 1.00 0.00 H new ATOM 783 N ALA A 56 -12.725 -33.811 8.623 1.00 0.00 N ATOM 784 CA ALA A 56 -12.431 -33.303 7.289 1.00 0.00 C ATOM 785 C ALA A 56 -12.044 -31.828 7.337 1.00 0.00 C ATOM 786 O ALA A 56 -11.073 -31.411 6.706 1.00 0.00 O ATOM 787 CB ALA A 56 -13.627 -33.507 6.371 1.00 0.00 C ATOM 0 H ALA A 56 -13.695 -33.693 8.915 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.583 -33.862 6.893 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.393 -33.123 5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.857 -34.570 6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.489 -32.974 6.772 1.00 0.00 H new ATOM 793 N ALA A 57 -12.810 -31.044 8.088 1.00 0.00 N ATOM 794 CA ALA A 57 -12.546 -29.617 8.219 1.00 0.00 C ATOM 795 C ALA A 57 -11.144 -29.365 8.762 1.00 0.00 C ATOM 796 O ALA A 57 -10.744 -29.945 9.771 1.00 0.00 O ATOM 797 CB ALA A 57 -13.587 -28.968 9.119 1.00 0.00 C ATOM 0 H ALA A 57 -13.619 -31.373 8.615 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.609 -29.169 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.377 -27.902 9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.578 -29.108 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.552 -29.428 10.106 1.00 0.00 H new ATOM 803 N VAL A 58 -10.399 -28.497 8.084 1.00 0.00 N ATOM 804 CA VAL A 58 -9.040 -28.168 8.499 1.00 0.00 C ATOM 805 C VAL A 58 -8.934 -26.708 8.924 1.00 0.00 C ATOM 806 O VAL A 58 -8.127 -26.358 9.784 1.00 0.00 O ATOM 807 CB VAL A 58 -8.028 -28.439 7.370 1.00 0.00 C ATOM 808 CG1 VAL A 58 -8.113 -29.887 6.912 1.00 0.00 C ATOM 809 CG2 VAL A 58 -8.262 -27.488 6.206 1.00 0.00 C ATOM 0 H VAL A 58 -10.714 -28.009 7.245 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.804 -28.808 9.349 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.024 -28.264 7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.391 -30.059 6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.892 -30.547 7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.118 -30.093 6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.538 -27.693 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.271 -27.629 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.145 -26.459 6.547 1.00 0.00 H new ATOM 819 N GLY A 59 -9.754 -25.858 8.313 1.00 0.00 N ATOM 820 CA GLY A 59 -9.737 -24.444 8.642 1.00 0.00 C ATOM 821 C GLY A 59 -11.018 -23.740 8.241 1.00 0.00 C ATOM 822 O GLY A 59 -11.913 -24.351 7.655 1.00 0.00 O ATOM 0 H GLY A 59 -10.430 -26.123 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.581 -24.325 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.893 -23.968 8.143 1.00 0.00 H new ATOM 826 N ILE A 60 -11.108 -22.453 8.559 1.00 0.00 N ATOM 827 CA ILE A 60 -12.290 -21.667 8.229 1.00 0.00 C ATOM 828 C ILE A 60 -11.973 -20.615 7.172 1.00 0.00 C ATOM 829 O ILE A 60 -10.976 -19.898 7.273 1.00 0.00 O ATOM 830 CB ILE A 60 -12.867 -20.968 9.475 1.00 0.00 C ATOM 831 CG1 ILE A 60 -13.100 -21.984 10.595 1.00 0.00 C ATOM 832 CG2 ILE A 60 -14.162 -20.249 9.127 1.00 0.00 C ATOM 833 CD1 ILE A 60 -12.980 -21.393 11.982 1.00 0.00 C ATOM 0 H ILE A 60 -10.377 -21.933 9.044 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.032 -22.362 7.836 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.146 -20.229 9.825 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -14.093 -22.419 10.479 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.382 -22.797 10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -14.557 -19.760 10.017 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.968 -19.501 8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.890 -20.970 8.756 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -13.157 -22.170 12.725 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.979 -20.983 12.117 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -13.717 -20.599 12.104 1.00 0.00 H new ATOM 845 N LEU A 61 -12.827 -20.527 6.158 1.00 0.00 N ATOM 846 CA LEU A 61 -12.639 -19.561 5.081 1.00 0.00 C ATOM 847 C LEU A 61 -12.763 -18.133 5.603 1.00 0.00 C ATOM 848 O LEU A 61 -13.763 -17.773 6.222 1.00 0.00 O ATOM 849 CB LEU A 61 -13.662 -19.801 3.970 1.00 0.00 C ATOM 850 CG LEU A 61 -13.194 -19.492 2.548 1.00 0.00 C ATOM 851 CD1 LEU A 61 -14.378 -19.438 1.595 1.00 0.00 C ATOM 852 CD2 LEU A 61 -12.420 -18.182 2.514 1.00 0.00 C ATOM 0 H LEU A 61 -13.656 -21.113 6.059 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.635 -19.695 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.973 -20.845 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.545 -19.197 4.180 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.529 -20.293 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.025 -19.217 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -14.891 -20.400 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.069 -18.658 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.095 -17.978 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.062 -17.371 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.549 -18.257 3.165 1.00 0.00 H new ATOM 864 N ALA A 62 -11.740 -17.324 5.346 1.00 0.00 N ATOM 865 CA ALA A 62 -11.737 -15.934 5.786 1.00 0.00 C ATOM 866 C ALA A 62 -12.637 -15.076 4.903 1.00 0.00 C ATOM 867 O ALA A 62 -13.436 -14.282 5.399 1.00 0.00 O ATOM 868 CB ALA A 62 -10.318 -15.384 5.787 1.00 0.00 C ATOM 0 H ALA A 62 -10.903 -17.607 4.836 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.130 -15.900 6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.331 -14.345 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.700 -15.973 6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.906 -15.439 4.779 1.00 0.00 H new ATOM 874 N VAL A 63 -12.503 -15.242 3.591 1.00 0.00 N ATOM 875 CA VAL A 63 -13.305 -14.483 2.638 1.00 0.00 C ATOM 876 C VAL A 63 -14.020 -15.409 1.662 1.00 0.00 C ATOM 877 O VAL A 63 -13.396 -16.256 1.023 1.00 0.00 O ATOM 878 CB VAL A 63 -12.439 -13.487 1.844 1.00 0.00 C ATOM 879 CG1 VAL A 63 -13.284 -12.742 0.822 1.00 0.00 C ATOM 880 CG2 VAL A 63 -11.747 -12.514 2.786 1.00 0.00 C ATOM 0 H VAL A 63 -11.847 -15.895 3.164 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.044 -13.929 3.216 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.672 -14.046 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.655 -12.043 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.729 -13.455 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.074 -12.193 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.139 -11.818 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.496 -11.959 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.109 -13.067 3.475 1.00 0.00 H new ATOM 890 N ALA A 64 -15.334 -15.242 1.550 1.00 0.00 N ATOM 891 CA ALA A 64 -16.135 -16.061 0.649 1.00 0.00 C ATOM 892 C ALA A 64 -15.420 -16.274 -0.681 1.00 0.00 C ATOM 893 O ALA A 64 -14.704 -15.395 -1.160 1.00 0.00 O ATOM 894 CB ALA A 64 -17.496 -15.419 0.421 1.00 0.00 C ATOM 0 H ALA A 64 -15.866 -14.546 2.073 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.278 -17.036 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.083 -16.042 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.018 -15.324 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.363 -14.431 -0.020 1.00 0.00 H new ATOM 900 N ALA A 65 -15.617 -17.448 -1.272 1.00 0.00 N ATOM 901 CA ALA A 65 -14.992 -17.776 -2.547 1.00 0.00 C ATOM 902 C ALA A 65 -15.884 -18.694 -3.376 1.00 0.00 C ATOM 903 O ALA A 65 -16.917 -19.166 -2.901 1.00 0.00 O ATOM 904 CB ALA A 65 -13.634 -18.424 -2.318 1.00 0.00 C ATOM 0 H ALA A 65 -16.205 -18.188 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 65 -14.852 -16.849 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.179 -18.664 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.989 -17.735 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.760 -19.338 -1.738 1.00 0.00 H new ATOM 910 N ASP A 66 -15.479 -18.942 -4.617 1.00 0.00 N ATOM 911 CA ASP A 66 -16.242 -19.803 -5.512 1.00 0.00 C ATOM 912 C ASP A 66 -15.322 -20.772 -6.249 1.00 0.00 C ATOM 913 O ASP A 66 -14.101 -20.701 -6.119 1.00 0.00 O ATOM 914 CB ASP A 66 -17.028 -18.961 -6.519 1.00 0.00 C ATOM 915 CG ASP A 66 -16.326 -17.660 -6.857 1.00 0.00 C ATOM 916 OD1 ASP A 66 -15.079 -17.626 -6.797 1.00 0.00 O ATOM 917 OD2 ASP A 66 -17.024 -16.676 -7.182 1.00 0.00 O ATOM 0 H ASP A 66 -14.627 -18.559 -5.026 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.942 -20.381 -4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.178 -19.538 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -18.016 -18.743 -6.114 1.00 0.00 H new ATOM 922 N GLN A 67 -15.918 -21.675 -7.020 1.00 0.00 N ATOM 923 CA GLN A 67 -15.152 -22.659 -7.776 1.00 0.00 C ATOM 924 C GLN A 67 -14.162 -21.975 -8.713 1.00 0.00 C ATOM 925 O GLN A 67 -13.143 -22.556 -9.089 1.00 0.00 O ATOM 926 CB GLN A 67 -16.091 -23.562 -8.578 1.00 0.00 C ATOM 927 CG GLN A 67 -17.087 -22.796 -9.434 1.00 0.00 C ATOM 928 CD GLN A 67 -16.485 -22.314 -10.739 1.00 0.00 C ATOM 929 OE1 GLN A 67 -15.828 -23.074 -11.451 1.00 0.00 O ATOM 930 NE2 GLN A 67 -16.708 -21.045 -11.061 1.00 0.00 N ATOM 0 H GLN A 67 -16.929 -21.746 -7.138 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.592 -23.268 -7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.496 -24.211 -9.220 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.637 -24.207 -7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.944 -23.435 -9.648 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.460 -21.940 -8.872 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.258 -20.451 -10.441 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.329 -20.665 -11.928 1.00 0.00 H new ATOM 939 N THR A 68 -14.468 -20.736 -9.087 1.00 0.00 N ATOM 940 CA THR A 68 -13.606 -19.973 -9.981 1.00 0.00 C ATOM 941 C THR A 68 -12.451 -19.334 -9.219 1.00 0.00 C ATOM 942 O THR A 68 -11.616 -18.643 -9.803 1.00 0.00 O ATOM 943 CB THR A 68 -14.393 -18.872 -10.716 1.00 0.00 C ATOM 944 OG1 THR A 68 -13.590 -18.308 -11.759 1.00 0.00 O ATOM 945 CG2 THR A 68 -14.822 -17.777 -9.751 1.00 0.00 C ATOM 0 H THR A 68 -15.306 -20.240 -8.784 1.00 0.00 H new ATOM 0 HA THR A 68 -13.209 -20.676 -10.713 1.00 0.00 H new ATOM 0 HB THR A 68 -15.286 -19.323 -11.149 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.657 -18.260 -11.464 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.376 -17.011 -10.293 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.458 -18.204 -8.975 1.00 0.00 H new ATOM 0 HG23 THR A 68 -13.940 -17.330 -9.292 1.00 0.00 H new ATOM 953 N SER A 69 -12.409 -19.569 -7.911 1.00 0.00 N ATOM 954 CA SER A 69 -11.357 -19.013 -7.068 1.00 0.00 C ATOM 955 C SER A 69 -10.007 -19.644 -7.397 1.00 0.00 C ATOM 956 O SER A 69 -9.901 -20.858 -7.573 1.00 0.00 O ATOM 957 CB SER A 69 -11.689 -19.232 -5.591 1.00 0.00 C ATOM 958 OG SER A 69 -10.933 -18.364 -4.764 1.00 0.00 O ATOM 0 H SER A 69 -13.091 -20.140 -7.412 1.00 0.00 H new ATOM 0 HA SER A 69 -11.296 -17.943 -7.264 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.753 -19.062 -5.425 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.485 -20.268 -5.319 1.00 0.00 H new ATOM 0 HG SER A 69 -11.525 -17.689 -4.371 1.00 0.00 H new ATOM 964 N THR A 70 -8.975 -18.809 -7.477 1.00 0.00 N ATOM 965 CA THR A 70 -7.632 -19.283 -7.786 1.00 0.00 C ATOM 966 C THR A 70 -6.778 -19.374 -6.526 1.00 0.00 C ATOM 967 O THR A 70 -5.730 -20.020 -6.518 1.00 0.00 O ATOM 968 CB THR A 70 -6.931 -18.361 -8.802 1.00 0.00 C ATOM 969 OG1 THR A 70 -7.743 -18.213 -9.971 1.00 0.00 O ATOM 970 CG2 THR A 70 -5.570 -18.920 -9.191 1.00 0.00 C ATOM 0 H THR A 70 -9.044 -17.802 -7.332 1.00 0.00 H new ATOM 0 HA THR A 70 -7.739 -20.276 -8.222 1.00 0.00 H new ATOM 0 HB THR A 70 -6.786 -17.387 -8.335 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.291 -17.624 -10.611 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.094 -18.252 -9.909 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.944 -19.004 -8.303 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.696 -19.905 -9.640 1.00 0.00 H new ATOM 978 N THR A 71 -7.234 -18.723 -5.460 1.00 0.00 N ATOM 979 CA THR A 71 -6.511 -18.730 -4.194 1.00 0.00 C ATOM 980 C THR A 71 -7.436 -18.388 -3.031 1.00 0.00 C ATOM 981 O THR A 71 -7.811 -17.230 -2.843 1.00 0.00 O ATOM 982 CB THR A 71 -5.337 -17.733 -4.211 1.00 0.00 C ATOM 983 OG1 THR A 71 -4.639 -17.821 -5.458 1.00 0.00 O ATOM 984 CG2 THR A 71 -4.376 -18.009 -3.065 1.00 0.00 C ATOM 0 H THR A 71 -8.100 -18.185 -5.448 1.00 0.00 H new ATOM 0 HA THR A 71 -6.119 -19.738 -4.060 1.00 0.00 H new ATOM 0 HB THR A 71 -5.740 -16.728 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.702 -18.736 -5.804 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.555 -17.292 -3.098 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.904 -17.913 -2.116 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.979 -19.020 -3.159 1.00 0.00 H new ATOM 992 N LEU A 72 -7.801 -19.402 -2.254 1.00 0.00 N ATOM 993 CA LEU A 72 -8.682 -19.208 -1.108 1.00 0.00 C ATOM 994 C LEU A 72 -7.879 -18.883 0.148 1.00 0.00 C ATOM 995 O LEU A 72 -6.868 -19.524 0.435 1.00 0.00 O ATOM 996 CB LEU A 72 -9.531 -20.460 -0.875 1.00 0.00 C ATOM 997 CG LEU A 72 -10.506 -20.827 -1.993 1.00 0.00 C ATOM 998 CD1 LEU A 72 -9.789 -20.873 -3.333 1.00 0.00 C ATOM 999 CD2 LEU A 72 -11.177 -22.161 -1.699 1.00 0.00 C ATOM 0 H LEU A 72 -7.501 -20.366 -2.397 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.339 -18.366 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.861 -21.304 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.099 -20.323 0.045 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.277 -20.058 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.499 -21.136 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.357 -19.896 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.996 -21.620 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.868 -22.406 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.419 -22.940 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.726 -22.093 -0.760 1.00 0.00 H new ATOM 1011 N THR A 73 -8.338 -17.884 0.895 1.00 0.00 N ATOM 1012 CA THR A 73 -7.664 -17.474 2.121 1.00 0.00 C ATOM 1013 C THR A 73 -8.447 -17.915 3.353 1.00 0.00 C ATOM 1014 O THR A 73 -9.407 -17.259 3.758 1.00 0.00 O ATOM 1015 CB THR A 73 -7.468 -15.947 2.170 1.00 0.00 C ATOM 1016 OG1 THR A 73 -6.705 -15.514 1.038 1.00 0.00 O ATOM 1017 CG2 THR A 73 -6.761 -15.534 3.453 1.00 0.00 C ATOM 0 H THR A 73 -9.174 -17.344 0.672 1.00 0.00 H new ATOM 0 HA THR A 73 -6.688 -17.958 2.122 1.00 0.00 H new ATOM 0 HB THR A 73 -8.450 -15.475 2.147 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.586 -14.542 1.076 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.633 -14.452 3.466 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.358 -15.839 4.312 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.784 -16.015 3.501 1.00 0.00 H new ATOM 1025 N PHE A 74 -8.030 -19.029 3.945 1.00 0.00 N ATOM 1026 CA PHE A 74 -8.693 -19.557 5.132 1.00 0.00 C ATOM 1027 C PHE A 74 -7.735 -19.596 6.318 1.00 0.00 C ATOM 1028 O PHE A 74 -6.520 -19.695 6.146 1.00 0.00 O ATOM 1029 CB PHE A 74 -9.238 -20.960 4.855 1.00 0.00 C ATOM 1030 CG PHE A 74 -8.164 -21.989 4.642 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.494 -22.070 3.432 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -7.824 -22.875 5.652 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -6.505 -23.014 3.232 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -6.836 -23.821 5.458 1.00 0.00 C ATOM 1035 CZ PHE A 74 -6.177 -23.892 4.246 1.00 0.00 C ATOM 0 H PHE A 74 -7.237 -19.583 3.623 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.522 -18.895 5.380 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.865 -21.269 5.691 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.877 -20.925 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.748 -21.387 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.337 -22.825 6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.989 -23.065 2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.579 -24.505 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.407 -24.633 4.092 1.00 0.00 H new ATOM 1045 N TYR A 75 -8.290 -19.516 7.522 1.00 0.00 N ATOM 1046 CA TYR A 75 -7.486 -19.539 8.738 1.00 0.00 C ATOM 1047 C TYR A 75 -6.840 -20.906 8.939 1.00 0.00 C ATOM 1048 O TYR A 75 -7.190 -21.877 8.266 1.00 0.00 O ATOM 1049 CB TYR A 75 -8.348 -19.186 9.952 1.00 0.00 C ATOM 1050 CG TYR A 75 -8.621 -17.706 10.091 1.00 0.00 C ATOM 1051 CD1 TYR A 75 -7.674 -16.854 10.645 1.00 0.00 C ATOM 1052 CD2 TYR A 75 -9.826 -17.159 9.669 1.00 0.00 C ATOM 1053 CE1 TYR A 75 -7.919 -15.501 10.775 1.00 0.00 C ATOM 1054 CE2 TYR A 75 -10.080 -15.807 9.794 1.00 0.00 C ATOM 1055 CZ TYR A 75 -9.123 -14.982 10.348 1.00 0.00 C ATOM 1056 OH TYR A 75 -9.373 -13.635 10.475 1.00 0.00 O ATOM 0 H TYR A 75 -9.294 -19.435 7.682 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.695 -18.796 8.634 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.297 -19.717 9.880 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.852 -19.542 10.855 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.730 -17.257 10.980 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.578 -17.802 9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.172 -14.853 11.209 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.022 -15.398 9.460 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.266 -13.434 10.125 1.00 0.00 H new ATOM 1066 N LYS A 76 -5.895 -20.976 9.870 1.00 0.00 N ATOM 1067 CA LYS A 76 -5.199 -22.224 10.163 1.00 0.00 C ATOM 1068 C LYS A 76 -5.392 -22.624 11.622 1.00 0.00 C ATOM 1069 O LYS A 76 -5.558 -23.803 11.936 1.00 0.00 O ATOM 1070 CB LYS A 76 -3.707 -22.085 9.855 1.00 0.00 C ATOM 1071 CG LYS A 76 -3.017 -21.000 10.664 1.00 0.00 C ATOM 1072 CD LYS A 76 -2.466 -21.546 11.971 1.00 0.00 C ATOM 1073 CE LYS A 76 -1.136 -22.253 11.764 1.00 0.00 C ATOM 1074 NZ LYS A 76 -0.667 -22.929 13.005 1.00 0.00 N ATOM 0 H LYS A 76 -5.593 -20.183 10.435 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.623 -23.004 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.215 -23.038 10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.582 -21.870 8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.206 -20.568 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.723 -20.196 10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.338 -20.730 12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.184 -22.240 12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.236 -22.988 10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.387 -21.530 11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.242 -23.399 12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.547 -22.224 13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.369 -23.637 13.301 1.00 0.00 H new ATOM 1088 N SER A 77 -5.371 -21.635 12.511 1.00 0.00 N ATOM 1089 CA SER A 77 -5.541 -21.885 13.937 1.00 0.00 C ATOM 1090 C SER A 77 -6.106 -20.655 14.641 1.00 0.00 C ATOM 1091 O SER A 77 -6.096 -19.554 14.092 1.00 0.00 O ATOM 1092 CB SER A 77 -4.206 -22.281 14.570 1.00 0.00 C ATOM 1093 OG SER A 77 -4.297 -22.298 15.984 1.00 0.00 O ATOM 0 H SER A 77 -5.238 -20.653 12.268 1.00 0.00 H new ATOM 0 HA SER A 77 -6.248 -22.706 14.055 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.907 -23.265 14.210 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.431 -21.580 14.261 1.00 0.00 H new ATOM 0 HG SER A 77 -4.779 -23.101 16.271 1.00 0.00 H new ATOM 1099 N GLY A 78 -6.597 -20.852 15.860 1.00 0.00 N ATOM 1100 CA GLY A 78 -7.159 -19.750 16.620 1.00 0.00 C ATOM 1101 C GLY A 78 -8.572 -20.032 17.091 1.00 0.00 C ATOM 1102 O GLY A 78 -9.202 -20.994 16.649 1.00 0.00 O ATOM 0 H GLY A 78 -6.616 -21.754 16.335 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.525 -19.547 17.483 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.157 -18.850 16.005 1.00 0.00 H new ATOM 1106 N THR A 79 -9.074 -19.192 17.991 1.00 0.00 N ATOM 1107 CA THR A 79 -10.420 -19.357 18.524 1.00 0.00 C ATOM 1108 C THR A 79 -11.461 -18.764 17.582 1.00 0.00 C ATOM 1109 O THR A 79 -11.404 -17.581 17.243 1.00 0.00 O ATOM 1110 CB THR A 79 -10.561 -18.696 19.909 1.00 0.00 C ATOM 1111 OG1 THR A 79 -9.546 -19.187 20.791 1.00 0.00 O ATOM 1112 CG2 THR A 79 -11.933 -18.972 20.503 1.00 0.00 C ATOM 0 H THR A 79 -8.568 -18.390 18.366 1.00 0.00 H new ATOM 0 HA THR A 79 -10.592 -20.429 18.622 1.00 0.00 H new ATOM 0 HB THR A 79 -10.446 -17.619 19.787 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.641 -18.761 21.668 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.009 -18.495 21.480 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.702 -18.571 19.843 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.073 -20.048 20.612 1.00 0.00 H new ATOM 1120 N PHE A 80 -12.412 -19.591 17.162 1.00 0.00 N ATOM 1121 CA PHE A 80 -13.467 -19.148 16.258 1.00 0.00 C ATOM 1122 C PHE A 80 -14.844 -19.477 16.827 1.00 0.00 C ATOM 1123 O PHE A 80 -15.131 -20.627 17.160 1.00 0.00 O ATOM 1124 CB PHE A 80 -13.300 -19.802 14.885 1.00 0.00 C ATOM 1125 CG PHE A 80 -12.031 -19.408 14.184 1.00 0.00 C ATOM 1126 CD1 PHE A 80 -11.928 -18.181 13.548 1.00 0.00 C ATOM 1127 CD2 PHE A 80 -10.942 -20.264 14.162 1.00 0.00 C ATOM 1128 CE1 PHE A 80 -10.762 -17.816 12.902 1.00 0.00 C ATOM 1129 CE2 PHE A 80 -9.773 -19.904 13.517 1.00 0.00 C ATOM 1130 CZ PHE A 80 -9.683 -18.678 12.888 1.00 0.00 C ATOM 0 H PHE A 80 -12.474 -20.572 17.433 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.387 -18.066 16.149 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.319 -20.885 15.003 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.150 -19.534 14.258 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -12.768 -17.503 13.557 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.007 -21.223 14.654 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.695 -16.858 12.409 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.931 -20.581 13.505 1.00 0.00 H new ATOM 0 HZ PHE A 80 -8.770 -18.394 12.386 1.00 0.00 H new ATOM 1140 N ARG A 81 -15.692 -18.459 16.934 1.00 0.00 N ATOM 1141 CA ARG A 81 -17.039 -18.639 17.463 1.00 0.00 C ATOM 1142 C ARG A 81 -17.849 -19.583 16.579 1.00 0.00 C ATOM 1143 O ARG A 81 -17.981 -19.362 15.375 1.00 0.00 O ATOM 1144 CB ARG A 81 -17.751 -17.290 17.574 1.00 0.00 C ATOM 1145 CG ARG A 81 -17.435 -16.539 18.857 1.00 0.00 C ATOM 1146 CD ARG A 81 -17.549 -15.034 18.664 1.00 0.00 C ATOM 1147 NE ARG A 81 -18.937 -14.582 18.696 1.00 0.00 N ATOM 1148 CZ ARG A 81 -19.343 -13.419 18.198 1.00 0.00 C ATOM 1149 NH1 ARG A 81 -18.470 -12.596 17.633 1.00 0.00 N ATOM 1150 NH2 ARG A 81 -20.623 -13.077 18.266 1.00 0.00 N ATOM 0 H ARG A 81 -15.470 -17.501 16.662 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.956 -19.081 18.456 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.472 -16.670 16.722 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -18.827 -17.451 17.513 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.117 -16.859 19.645 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.427 -16.789 19.188 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.984 -14.525 19.444 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.099 -14.756 17.711 1.00 0.00 H new ATOM 0 HE ARG A 81 -19.633 -15.192 19.124 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.485 -12.855 17.580 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.784 -11.704 17.251 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.297 -13.707 18.701 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.933 -12.184 17.883 1.00 0.00 H new ATOM 1164 N TYR A 82 -18.389 -20.635 17.184 1.00 0.00 N ATOM 1165 CA TYR A 82 -19.183 -21.614 16.451 1.00 0.00 C ATOM 1166 C TYR A 82 -20.567 -21.059 16.127 1.00 0.00 C ATOM 1167 O TYR A 82 -21.116 -21.319 15.057 1.00 0.00 O ATOM 1168 CB TYR A 82 -19.316 -22.904 17.262 1.00 0.00 C ATOM 1169 CG TYR A 82 -20.581 -23.677 16.967 1.00 0.00 C ATOM 1170 CD1 TYR A 82 -21.822 -23.199 17.370 1.00 0.00 C ATOM 1171 CD2 TYR A 82 -20.536 -24.887 16.284 1.00 0.00 C ATOM 1172 CE1 TYR A 82 -22.980 -23.902 17.103 1.00 0.00 C ATOM 1173 CE2 TYR A 82 -21.689 -25.597 16.012 1.00 0.00 C ATOM 1174 CZ TYR A 82 -22.908 -25.101 16.423 1.00 0.00 C ATOM 1175 OH TYR A 82 -24.060 -25.804 16.154 1.00 0.00 O ATOM 0 H TYR A 82 -18.291 -20.832 18.180 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.670 -21.833 15.514 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -18.455 -23.541 17.059 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -19.289 -22.660 18.324 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -21.882 -22.261 17.902 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -19.583 -25.279 15.960 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -23.936 -23.516 17.424 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -21.636 -26.536 15.480 1.00 0.00 H new ATOM 0 HH TYR A 82 -24.081 -26.046 15.205 1.00 0.00 H new ATOM 1185 N GLU A 83 -21.124 -20.293 17.060 1.00 0.00 N ATOM 1186 CA GLU A 83 -22.444 -19.702 16.874 1.00 0.00 C ATOM 1187 C GLU A 83 -22.491 -18.866 15.598 1.00 0.00 C ATOM 1188 O GLU A 83 -23.522 -18.792 14.929 1.00 0.00 O ATOM 1189 CB GLU A 83 -22.813 -18.835 18.079 1.00 0.00 C ATOM 1190 CG GLU A 83 -21.912 -17.624 18.257 1.00 0.00 C ATOM 1191 CD GLU A 83 -22.412 -16.408 17.501 1.00 0.00 C ATOM 1192 OE1 GLU A 83 -23.644 -16.242 17.393 1.00 0.00 O ATOM 1193 OE2 GLU A 83 -21.569 -15.623 17.018 1.00 0.00 O ATOM 0 H GLU A 83 -20.682 -20.067 17.951 1.00 0.00 H new ATOM 0 HA GLU A 83 -23.167 -20.512 16.783 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -23.844 -18.498 17.971 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -22.770 -19.445 18.981 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -21.839 -17.383 19.318 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -20.906 -17.871 17.916 1.00 0.00 H new ATOM 1200 N ASP A 84 -21.367 -18.239 15.268 1.00 0.00 N ATOM 1201 CA ASP A 84 -21.279 -17.408 14.072 1.00 0.00 C ATOM 1202 C ASP A 84 -20.986 -18.259 12.840 1.00 0.00 C ATOM 1203 O ASP A 84 -21.626 -18.104 11.800 1.00 0.00 O ATOM 1204 CB ASP A 84 -20.192 -16.345 14.243 1.00 0.00 C ATOM 1205 CG ASP A 84 -20.474 -15.094 13.435 1.00 0.00 C ATOM 1206 OD1 ASP A 84 -21.653 -14.691 13.358 1.00 0.00 O ATOM 1207 OD2 ASP A 84 -19.515 -14.519 12.878 1.00 0.00 O ATOM 0 H ASP A 84 -20.505 -18.290 15.811 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.240 -16.914 13.930 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.108 -16.082 15.297 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -19.231 -16.760 13.941 1.00 0.00 H new ATOM 1212 N VAL A 85 -20.014 -19.156 12.964 1.00 0.00 N ATOM 1213 CA VAL A 85 -19.636 -20.032 11.861 1.00 0.00 C ATOM 1214 C VAL A 85 -20.853 -20.745 11.284 1.00 0.00 C ATOM 1215 O VAL A 85 -21.634 -21.355 12.016 1.00 0.00 O ATOM 1216 CB VAL A 85 -18.602 -21.083 12.307 1.00 0.00 C ATOM 1217 CG1 VAL A 85 -18.279 -22.033 11.164 1.00 0.00 C ATOM 1218 CG2 VAL A 85 -17.341 -20.405 12.821 1.00 0.00 C ATOM 0 H VAL A 85 -19.473 -19.296 13.818 1.00 0.00 H new ATOM 0 HA VAL A 85 -19.191 -19.399 11.093 1.00 0.00 H new ATOM 0 HB VAL A 85 -19.031 -21.666 13.122 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -17.547 -22.768 11.498 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.188 -22.544 10.848 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -17.870 -21.468 10.326 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.621 -21.162 13.132 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -16.907 -19.796 12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -17.590 -19.770 13.672 1.00 0.00 H new ATOM 1228 N LEU A 86 -21.010 -20.665 9.967 1.00 0.00 N ATOM 1229 CA LEU A 86 -22.133 -21.304 9.290 1.00 0.00 C ATOM 1230 C LEU A 86 -21.787 -22.736 8.894 1.00 0.00 C ATOM 1231 O LEU A 86 -21.177 -22.971 7.851 1.00 0.00 O ATOM 1232 CB LEU A 86 -22.530 -20.501 8.050 1.00 0.00 C ATOM 1233 CG LEU A 86 -23.313 -19.213 8.306 1.00 0.00 C ATOM 1234 CD1 LEU A 86 -23.350 -18.353 7.052 1.00 0.00 C ATOM 1235 CD2 LEU A 86 -24.724 -19.532 8.778 1.00 0.00 C ATOM 0 H LEU A 86 -20.374 -20.164 9.347 1.00 0.00 H new ATOM 0 HA LEU A 86 -22.975 -21.332 9.982 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.623 -20.248 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -23.127 -21.143 7.402 1.00 0.00 H new ATOM 0 HG LEU A 86 -22.807 -18.652 9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -23.911 -17.441 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -22.333 -18.096 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -23.832 -18.906 6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -25.267 -18.604 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -25.240 -20.114 8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -24.677 -20.107 9.703 1.00 0.00 H new ATOM 1247 N TRP A 87 -22.183 -23.687 9.731 1.00 0.00 N ATOM 1248 CA TRP A 87 -21.917 -25.097 9.467 1.00 0.00 C ATOM 1249 C TRP A 87 -22.948 -25.674 8.504 1.00 0.00 C ATOM 1250 O TRP A 87 -24.098 -25.237 8.452 1.00 0.00 O ATOM 1251 CB TRP A 87 -21.920 -25.891 10.774 1.00 0.00 C ATOM 1252 CG TRP A 87 -21.094 -25.261 11.854 1.00 0.00 C ATOM 1253 CD1 TRP A 87 -21.456 -24.221 12.662 1.00 0.00 C ATOM 1254 CD2 TRP A 87 -19.766 -25.630 12.243 1.00 0.00 C ATOM 1255 NE1 TRP A 87 -20.433 -23.921 13.529 1.00 0.00 N ATOM 1256 CE2 TRP A 87 -19.386 -24.771 13.293 1.00 0.00 C ATOM 1257 CE3 TRP A 87 -18.862 -26.602 11.807 1.00 0.00 C ATOM 1258 CZ2 TRP A 87 -18.141 -24.857 13.911 1.00 0.00 C ATOM 1259 CZ3 TRP A 87 -17.627 -26.686 12.421 1.00 0.00 C ATOM 1260 CH2 TRP A 87 -17.276 -25.819 13.464 1.00 0.00 C ATOM 0 H TRP A 87 -22.689 -23.508 10.598 1.00 0.00 H new ATOM 0 HA TRP A 87 -20.933 -25.176 9.005 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -22.947 -25.994 11.125 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -21.546 -26.897 10.581 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -22.407 -23.710 12.625 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -20.451 -23.184 14.234 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -19.124 -27.276 11.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -17.868 -24.189 14.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -16.920 -27.433 12.091 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -16.304 -25.912 13.925 1.00 0.00 H new ATOM 1271 N PRO A 88 -22.531 -26.681 7.722 1.00 0.00 N ATOM 1272 CA PRO A 88 -23.404 -27.341 6.747 1.00 0.00 C ATOM 1273 C PRO A 88 -24.489 -28.179 7.414 1.00 0.00 C ATOM 1274 O PRO A 88 -24.244 -28.838 8.424 1.00 0.00 O ATOM 1275 CB PRO A 88 -22.444 -28.237 5.961 1.00 0.00 C ATOM 1276 CG PRO A 88 -21.316 -28.497 6.897 1.00 0.00 C ATOM 1277 CD PRO A 88 -21.174 -27.254 7.731 1.00 0.00 C ATOM 0 HA PRO A 88 -23.941 -26.622 6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.928 -29.165 5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.098 -27.745 5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.521 -29.365 7.523 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.396 -28.707 6.351 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.842 -27.485 8.743 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.444 -26.565 7.305 1.00 0.00 H new ATOM 1285 N GLU A 89 -25.689 -28.148 6.843 1.00 0.00 N ATOM 1286 CA GLU A 89 -26.812 -28.906 7.384 1.00 0.00 C ATOM 1287 C GLU A 89 -26.479 -30.393 7.459 1.00 0.00 C ATOM 1288 O GLU A 89 -26.900 -31.089 8.382 1.00 0.00 O ATOM 1289 CB GLU A 89 -28.060 -28.694 6.525 1.00 0.00 C ATOM 1290 CG GLU A 89 -27.994 -29.386 5.174 1.00 0.00 C ATOM 1291 CD GLU A 89 -29.340 -29.436 4.478 1.00 0.00 C ATOM 1292 OE1 GLU A 89 -30.323 -29.870 5.115 1.00 0.00 O ATOM 1293 OE2 GLU A 89 -29.411 -29.039 3.296 1.00 0.00 O ATOM 0 H GLU A 89 -25.909 -27.607 6.007 1.00 0.00 H new ATOM 0 HA GLU A 89 -27.009 -28.544 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -28.931 -29.059 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -28.206 -27.625 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -27.279 -28.865 4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -27.620 -30.401 5.308 1.00 0.00 H new ATOM 1300 N ALA A 90 -25.720 -30.874 6.479 1.00 0.00 N ATOM 1301 CA ALA A 90 -25.329 -32.277 6.434 1.00 0.00 C ATOM 1302 C ALA A 90 -25.054 -32.816 7.834 1.00 0.00 C ATOM 1303 O ALA A 90 -25.426 -33.943 8.159 1.00 0.00 O ATOM 1304 CB ALA A 90 -24.106 -32.456 5.547 1.00 0.00 C ATOM 0 H ALA A 90 -25.364 -30.312 5.706 1.00 0.00 H new ATOM 0 HA ALA A 90 -26.157 -32.846 6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -23.825 -33.509 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -24.337 -32.119 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -23.279 -31.869 5.945 1.00 0.00 H new ATOM 1310 N ALA A 91 -24.400 -32.004 8.657 1.00 0.00 N ATOM 1311 CA ALA A 91 -24.077 -32.399 10.022 1.00 0.00 C ATOM 1312 C ALA A 91 -25.332 -32.471 10.885 1.00 0.00 C ATOM 1313 O ALA A 91 -25.852 -31.447 11.328 1.00 0.00 O ATOM 1314 CB ALA A 91 -23.073 -31.429 10.629 1.00 0.00 C ATOM 0 H ALA A 91 -24.083 -31.068 8.402 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.632 -33.394 9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.841 -31.736 11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -22.160 -31.430 10.033 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.498 -30.425 10.640 1.00 0.00 H new ATOM 1320 N SER A 92 -25.814 -33.687 11.119 1.00 0.00 N ATOM 1321 CA SER A 92 -27.012 -33.893 11.925 1.00 0.00 C ATOM 1322 C SER A 92 -26.705 -33.717 13.409 1.00 0.00 C ATOM 1323 O SER A 92 -27.519 -33.185 14.164 1.00 0.00 O ATOM 1324 CB SER A 92 -27.589 -35.287 11.674 1.00 0.00 C ATOM 1325 OG SER A 92 -28.868 -35.425 12.268 1.00 0.00 O ATOM 0 H SER A 92 -25.393 -34.545 10.762 1.00 0.00 H new ATOM 0 HA SER A 92 -27.749 -33.145 11.633 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.662 -35.466 10.601 1.00 0.00 H new ATOM 0 HB3 SER A 92 -26.914 -36.041 12.078 1.00 0.00 H new ATOM 0 HG SER A 92 -29.215 -36.324 12.092 1.00 0.00 H new ATOM 1331 N ASP A 93 -25.525 -34.168 13.820 1.00 0.00 N ATOM 1332 CA ASP A 93 -25.107 -34.061 15.213 1.00 0.00 C ATOM 1333 C ASP A 93 -24.224 -32.835 15.423 1.00 0.00 C ATOM 1334 O ASP A 93 -23.452 -32.457 14.543 1.00 0.00 O ATOM 1335 CB ASP A 93 -24.359 -35.324 15.642 1.00 0.00 C ATOM 1336 CG ASP A 93 -24.389 -35.532 17.144 1.00 0.00 C ATOM 1337 OD1 ASP A 93 -24.322 -34.528 17.883 1.00 0.00 O ATOM 1338 OD2 ASP A 93 -24.478 -36.699 17.580 1.00 0.00 O ATOM 0 H ASP A 93 -24.840 -34.612 13.208 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.001 -33.952 15.827 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -24.801 -36.190 15.149 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -23.324 -35.261 15.307 1.00 0.00 H new ATOM 1343 N GLU A 94 -24.346 -32.218 16.594 1.00 0.00 N ATOM 1344 CA GLU A 94 -23.559 -31.033 16.917 1.00 0.00 C ATOM 1345 C GLU A 94 -22.114 -31.409 17.231 1.00 0.00 C ATOM 1346 O GLU A 94 -21.188 -30.643 16.960 1.00 0.00 O ATOM 1347 CB GLU A 94 -24.175 -30.294 18.107 1.00 0.00 C ATOM 1348 CG GLU A 94 -24.175 -31.104 19.393 1.00 0.00 C ATOM 1349 CD GLU A 94 -25.334 -32.078 19.469 1.00 0.00 C ATOM 1350 OE1 GLU A 94 -26.427 -31.742 18.968 1.00 0.00 O ATOM 1351 OE2 GLU A 94 -25.147 -33.178 20.031 1.00 0.00 O ATOM 0 H GLU A 94 -24.981 -32.518 17.334 1.00 0.00 H new ATOM 0 HA GLU A 94 -23.565 -30.376 16.047 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -23.626 -29.367 18.272 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.200 -30.018 17.861 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.237 -31.654 19.471 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -24.219 -30.426 20.245 1.00 0.00 H new ATOM 1358 N THR A 95 -21.927 -32.593 17.805 1.00 0.00 N ATOM 1359 CA THR A 95 -20.596 -33.071 18.157 1.00 0.00 C ATOM 1360 C THR A 95 -19.801 -33.449 16.913 1.00 0.00 C ATOM 1361 O THR A 95 -18.571 -33.509 16.943 1.00 0.00 O ATOM 1362 CB THR A 95 -20.667 -34.289 19.097 1.00 0.00 C ATOM 1363 OG1 THR A 95 -21.454 -33.972 20.251 1.00 0.00 O ATOM 1364 CG2 THR A 95 -19.274 -34.720 19.530 1.00 0.00 C ATOM 0 H THR A 95 -22.682 -33.239 18.036 1.00 0.00 H new ATOM 0 HA THR A 95 -20.092 -32.253 18.672 1.00 0.00 H new ATOM 0 HB THR A 95 -21.133 -35.112 18.555 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.496 -34.752 20.843 1.00 0.00 H new ATOM 0 HG21 THR A 95 -19.349 -35.582 20.193 1.00 0.00 H new ATOM 0 HG22 THR A 95 -18.687 -34.988 18.652 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.786 -33.899 20.056 1.00 0.00 H new ATOM 1372 N LYS A 96 -20.509 -33.704 15.818 1.00 0.00 N ATOM 1373 CA LYS A 96 -19.869 -34.075 14.562 1.00 0.00 C ATOM 1374 C LYS A 96 -19.180 -32.873 13.926 1.00 0.00 C ATOM 1375 O LYS A 96 -18.003 -32.934 13.571 1.00 0.00 O ATOM 1376 CB LYS A 96 -20.902 -34.656 13.592 1.00 0.00 C ATOM 1377 CG LYS A 96 -21.020 -36.169 13.665 1.00 0.00 C ATOM 1378 CD LYS A 96 -19.904 -36.853 12.894 1.00 0.00 C ATOM 1379 CE LYS A 96 -19.622 -38.245 13.439 1.00 0.00 C ATOM 1380 NZ LYS A 96 -18.252 -38.711 13.087 1.00 0.00 N ATOM 0 H LYS A 96 -21.527 -33.660 15.775 1.00 0.00 H new ATOM 0 HA LYS A 96 -19.115 -34.832 14.777 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -21.875 -34.213 13.803 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -20.635 -34.369 12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -20.992 -36.487 14.707 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -21.984 -36.479 13.263 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.177 -36.922 11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.998 -36.249 12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -19.737 -38.241 14.523 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -20.357 -38.946 13.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.970 -39.477 13.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.245 -39.061 12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -17.583 -37.920 13.176 1.00 0.00 H new ATOM 1394 N LYS A 97 -19.920 -31.778 13.785 1.00 0.00 N ATOM 1395 CA LYS A 97 -19.380 -30.559 13.195 1.00 0.00 C ATOM 1396 C LYS A 97 -18.475 -29.831 14.183 1.00 0.00 C ATOM 1397 O LYS A 97 -17.424 -29.309 13.809 1.00 0.00 O ATOM 1398 CB LYS A 97 -20.517 -29.636 12.752 1.00 0.00 C ATOM 1399 CG LYS A 97 -21.511 -29.321 13.856 1.00 0.00 C ATOM 1400 CD LYS A 97 -22.620 -28.406 13.365 1.00 0.00 C ATOM 1401 CE LYS A 97 -23.920 -28.653 14.114 1.00 0.00 C ATOM 1402 NZ LYS A 97 -25.094 -28.094 13.388 1.00 0.00 N ATOM 0 H LYS A 97 -20.897 -31.710 14.072 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.787 -30.838 12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -20.093 -28.703 12.380 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -21.046 -30.100 11.920 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.943 -30.248 14.233 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -20.992 -28.849 14.690 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -22.318 -27.366 13.492 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -22.778 -28.564 12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -24.058 -29.725 14.257 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -23.859 -28.204 15.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -25.960 -28.283 13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -24.975 -27.067 13.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -25.168 -28.541 12.452 1.00 0.00 H new ATOM 1416 N ARG A 98 -18.889 -29.799 15.446 1.00 0.00 N ATOM 1417 CA ARG A 98 -18.116 -29.135 16.487 1.00 0.00 C ATOM 1418 C ARG A 98 -16.709 -29.720 16.577 1.00 0.00 C ATOM 1419 O ARG A 98 -15.750 -29.014 16.890 1.00 0.00 O ATOM 1420 CB ARG A 98 -18.821 -29.266 17.839 1.00 0.00 C ATOM 1421 CG ARG A 98 -19.937 -28.254 18.044 1.00 0.00 C ATOM 1422 CD ARG A 98 -20.377 -28.198 19.498 1.00 0.00 C ATOM 1423 NE ARG A 98 -19.616 -27.213 20.263 1.00 0.00 N ATOM 1424 CZ ARG A 98 -19.537 -27.213 21.589 1.00 0.00 C ATOM 1425 NH1 ARG A 98 -20.170 -28.141 22.294 1.00 0.00 N ATOM 1426 NH2 ARG A 98 -18.825 -26.284 22.212 1.00 0.00 N ATOM 0 H ARG A 98 -19.756 -30.226 15.772 1.00 0.00 H new ATOM 0 HA ARG A 98 -18.037 -28.079 16.227 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.232 -30.271 17.929 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.086 -29.150 18.635 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -19.598 -27.268 17.727 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -20.788 -28.516 17.415 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -21.438 -27.953 19.546 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -20.256 -29.182 19.952 1.00 0.00 H new ATOM 0 HE ARG A 98 -19.118 -26.485 19.751 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -20.719 -28.857 21.818 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -20.108 -28.139 23.312 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -18.337 -25.568 21.673 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.765 -26.285 23.230 1.00 0.00 H new ATOM 1440 N THR A 99 -16.594 -31.015 16.301 1.00 0.00 N ATOM 1441 CA THR A 99 -15.306 -31.696 16.351 1.00 0.00 C ATOM 1442 C THR A 99 -14.747 -31.919 14.951 1.00 0.00 C ATOM 1443 O THR A 99 -13.851 -32.740 14.754 1.00 0.00 O ATOM 1444 CB THR A 99 -15.416 -33.054 17.071 1.00 0.00 C ATOM 1445 OG1 THR A 99 -16.074 -32.888 18.332 1.00 0.00 O ATOM 1446 CG2 THR A 99 -14.040 -33.665 17.287 1.00 0.00 C ATOM 0 H THR A 99 -17.378 -31.614 16.040 1.00 0.00 H new ATOM 0 HA THR A 99 -14.629 -31.051 16.910 1.00 0.00 H new ATOM 0 HB THR A 99 -16.000 -33.727 16.443 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.034 -33.055 18.225 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.143 -34.623 17.797 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.554 -33.817 16.323 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.435 -32.993 17.896 1.00 0.00 H new ATOM 1454 N ALA A 100 -15.281 -31.184 13.981 1.00 0.00 N ATOM 1455 CA ALA A 100 -14.832 -31.301 12.599 1.00 0.00 C ATOM 1456 C ALA A 100 -13.381 -30.854 12.454 1.00 0.00 C ATOM 1457 O ALA A 100 -12.734 -31.133 11.444 1.00 0.00 O ATOM 1458 CB ALA A 100 -15.732 -30.486 11.682 1.00 0.00 C ATOM 0 H ALA A 100 -16.025 -30.501 14.127 1.00 0.00 H new ATOM 0 HA ALA A 100 -14.892 -32.350 12.310 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -15.386 -30.582 10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -16.755 -30.853 11.756 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -15.700 -29.438 11.979 1.00 0.00 H new ATOM 1464 N PHE A 101 -12.876 -30.160 13.468 1.00 0.00 N ATOM 1465 CA PHE A 101 -11.502 -29.673 13.451 1.00 0.00 C ATOM 1466 C PHE A 101 -10.598 -30.567 14.295 1.00 0.00 C ATOM 1467 O PHE A 101 -9.611 -30.107 14.868 1.00 0.00 O ATOM 1468 CB PHE A 101 -11.441 -28.234 13.969 1.00 0.00 C ATOM 1469 CG PHE A 101 -12.052 -27.234 13.030 1.00 0.00 C ATOM 1470 CD1 PHE A 101 -11.284 -26.623 12.052 1.00 0.00 C ATOM 1471 CD2 PHE A 101 -13.395 -26.904 13.126 1.00 0.00 C ATOM 1472 CE1 PHE A 101 -11.844 -25.702 11.186 1.00 0.00 C ATOM 1473 CE2 PHE A 101 -13.959 -25.984 12.263 1.00 0.00 C ATOM 1474 CZ PHE A 101 -13.183 -25.381 11.292 1.00 0.00 C ATOM 0 H PHE A 101 -13.398 -29.922 14.312 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.148 -29.696 12.420 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.954 -28.180 14.929 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.400 -27.964 14.148 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.236 -26.869 11.965 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -14.007 -27.371 13.883 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -11.235 -25.234 10.427 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -15.007 -25.736 12.348 1.00 0.00 H new ATOM 0 HZ PHE A 101 -13.622 -24.661 10.618 1.00 0.00 H new ATOM 1484 N ALA A 102 -10.944 -31.848 14.367 1.00 0.00 N ATOM 1485 CA ALA A 102 -10.165 -32.808 15.139 1.00 0.00 C ATOM 1486 C ALA A 102 -8.813 -33.072 14.484 1.00 0.00 C ATOM 1487 O ALA A 102 -8.744 -33.502 13.334 1.00 0.00 O ATOM 1488 CB ALA A 102 -10.938 -34.108 15.300 1.00 0.00 C ATOM 0 H ALA A 102 -11.759 -32.245 13.900 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.984 -32.381 16.126 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.344 -34.815 15.879 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.876 -33.912 15.820 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.149 -34.530 14.317 1.00 0.00 H new ATOM 1494 N GLY A 103 -7.740 -32.809 15.224 1.00 0.00 N ATOM 1495 CA GLY A 103 -6.405 -33.024 14.697 1.00 0.00 C ATOM 1496 C GLY A 103 -5.674 -31.724 14.424 1.00 0.00 C ATOM 1497 O GLY A 103 -4.449 -31.657 14.531 1.00 0.00 O ATOM 0 H GLY A 103 -7.772 -32.451 16.179 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.829 -33.619 15.406 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.470 -33.601 13.775 1.00 0.00 H new ATOM 1501 N THR A 104 -6.426 -30.687 14.068 1.00 0.00 N ATOM 1502 CA THR A 104 -5.843 -29.384 13.775 1.00 0.00 C ATOM 1503 C THR A 104 -5.641 -28.574 15.050 1.00 0.00 C ATOM 1504 O THR A 104 -6.095 -28.965 16.125 1.00 0.00 O ATOM 1505 CB THR A 104 -6.725 -28.579 12.803 1.00 0.00 C ATOM 1506 OG1 THR A 104 -8.050 -28.455 13.332 1.00 0.00 O ATOM 1507 CG2 THR A 104 -6.779 -29.250 11.439 1.00 0.00 C ATOM 0 H THR A 104 -7.441 -30.725 13.976 1.00 0.00 H new ATOM 0 HA THR A 104 -4.876 -29.568 13.307 1.00 0.00 H new ATOM 0 HB THR A 104 -6.287 -27.588 12.686 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.218 -29.182 13.968 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.408 -28.663 10.769 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.772 -29.316 11.026 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.196 -30.252 11.543 1.00 0.00 H new ATOM 1515 N ALA A 105 -4.957 -27.441 14.924 1.00 0.00 N ATOM 1516 CA ALA A 105 -4.697 -26.574 16.066 1.00 0.00 C ATOM 1517 C ALA A 105 -5.766 -25.494 16.190 1.00 0.00 C ATOM 1518 O ALA A 105 -5.509 -24.409 16.712 1.00 0.00 O ATOM 1519 CB ALA A 105 -3.318 -25.943 15.947 1.00 0.00 C ATOM 0 H ALA A 105 -4.573 -27.103 14.042 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.728 -27.185 16.968 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -3.138 -25.298 16.807 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.561 -26.726 15.916 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.266 -25.352 15.033 1.00 0.00 H new ATOM 1525 N ILE A 106 -6.966 -25.798 15.706 1.00 0.00 N ATOM 1526 CA ILE A 106 -8.074 -24.853 15.764 1.00 0.00 C ATOM 1527 C ILE A 106 -9.016 -25.179 16.918 1.00 0.00 C ATOM 1528 O ILE A 106 -9.364 -26.339 17.140 1.00 0.00 O ATOM 1529 CB ILE A 106 -8.876 -24.844 14.449 1.00 0.00 C ATOM 1530 CG1 ILE A 106 -8.054 -24.201 13.329 1.00 0.00 C ATOM 1531 CG2 ILE A 106 -10.193 -24.107 14.636 1.00 0.00 C ATOM 1532 CD1 ILE A 106 -8.544 -24.552 11.942 1.00 0.00 C ATOM 0 H ILE A 106 -7.195 -26.691 15.270 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.638 -23.866 15.922 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.096 -25.874 14.168 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.075 -23.118 13.450 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.014 -24.512 13.428 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.748 -24.110 13.698 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.782 -24.604 15.407 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.995 -23.078 14.937 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.915 -24.062 11.199 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.497 -25.632 11.802 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -9.574 -24.216 11.824 1.00 0.00 H new ATOM 1544 N SER A 107 -9.427 -24.148 17.649 1.00 0.00 N ATOM 1545 CA SER A 107 -10.327 -24.325 18.782 1.00 0.00 C ATOM 1546 C SER A 107 -11.662 -23.631 18.528 1.00 0.00 C ATOM 1547 O SER A 107 -11.734 -22.403 18.469 1.00 0.00 O ATOM 1548 CB SER A 107 -9.689 -23.775 20.059 1.00 0.00 C ATOM 1549 OG SER A 107 -8.458 -24.423 20.333 1.00 0.00 O ATOM 0 H SER A 107 -9.151 -23.181 17.477 1.00 0.00 H new ATOM 0 HA SER A 107 -10.509 -25.392 18.906 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.524 -22.703 19.954 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.371 -23.912 20.898 1.00 0.00 H new ATOM 0 HG SER A 107 -8.069 -24.053 21.153 1.00 0.00 H new ATOM 1555 N ILE A 108 -12.716 -24.426 18.380 1.00 0.00 N ATOM 1556 CA ILE A 108 -14.049 -23.889 18.134 1.00 0.00 C ATOM 1557 C ILE A 108 -14.849 -23.790 19.428 1.00 0.00 C ATOM 1558 O ILE A 108 -14.999 -24.773 20.155 1.00 0.00 O ATOM 1559 CB ILE A 108 -14.828 -24.756 17.127 1.00 0.00 C ATOM 1560 CG1 ILE A 108 -16.085 -24.023 16.656 1.00 0.00 C ATOM 1561 CG2 ILE A 108 -15.190 -26.096 17.750 1.00 0.00 C ATOM 1562 CD1 ILE A 108 -15.847 -23.115 15.470 1.00 0.00 C ATOM 0 H ILE A 108 -12.673 -25.444 18.426 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.915 -22.892 17.715 1.00 0.00 H new ATOM 0 HB ILE A 108 -14.193 -24.941 16.261 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -16.847 -24.757 16.394 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -16.482 -23.432 17.482 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -15.740 -26.697 17.026 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -14.279 -26.620 18.040 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -15.810 -25.932 18.631 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.782 -22.628 15.191 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.108 -22.358 15.734 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.479 -23.703 14.629 1.00 0.00 H new ATOM 1574 N VAL A 109 -15.365 -22.598 19.709 1.00 0.00 N ATOM 1575 CA VAL A 109 -16.153 -22.370 20.914 1.00 0.00 C ATOM 1576 C VAL A 109 -17.579 -21.958 20.568 1.00 0.00 C ATOM 1577 O VAL A 109 -18.532 -22.356 21.238 1.00 0.00 O ATOM 1578 CB VAL A 109 -15.518 -21.285 21.804 1.00 0.00 C ATOM 1579 CG1 VAL A 109 -14.134 -21.715 22.265 1.00 0.00 C ATOM 1580 CG2 VAL A 109 -15.454 -19.959 21.062 1.00 0.00 C ATOM 0 H VAL A 109 -15.251 -21.775 19.118 1.00 0.00 H new ATOM 0 HA VAL A 109 -16.173 -23.312 21.462 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.143 -21.152 22.687 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.701 -20.936 22.893 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.212 -22.640 22.837 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.496 -21.878 21.397 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.003 -19.204 21.705 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.852 -20.075 20.161 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.462 -19.647 20.787 1.00 0.00 H new