USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 THR OG1 : rot 130:sc= -2.13! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0229 (180deg=-0.27) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 132:sc= 0.903 USER MOD Single : A 44 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -110:sc= -0.324 (180deg=-0.977) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 43:sc= -7.88! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 59 GLN : amide:sc= -1.77! C(o=-1.8!,f=-7.6!) USER MOD Single : A 60 TYR OH : rot 31:sc= -2.95! USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.00099) USER MOD Single : A 72 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.0096) USER MOD Single : A 73 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-4.7!) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0247 USER MOD Single : A 77 CYS SG : rot 27:sc= -0.31 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.445 K(o=-0.45,f=-3.8!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0.00384 X(o=0.0038,f=-0.36) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= 0.0102 (180deg=-0.162) USER MOD Single : A 100 TYR OH : rot -105:sc= 0.0983 USER MOD Single : A 101 THR OG1 : rot 64:sc= 1.18 USER MOD Single : A 102 MET CE :methyl -110:sc= -3.41! (180deg=-9.06!) USER MOD Single : A 104 TYR OH : rot -15:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -12.823 3.051 1.375 1.00 0.00 N ATOM 348 CA THR A 26 -13.119 1.645 1.127 1.00 0.00 C ATOM 349 C THR A 26 -13.227 0.865 2.429 1.00 0.00 C ATOM 350 O THR A 26 -13.055 1.415 3.514 1.00 0.00 O ATOM 351 CB THR A 26 -12.032 0.994 0.255 1.00 0.00 C ATOM 352 OG1 THR A 26 -12.503 -0.252 -0.268 1.00 0.00 O ATOM 353 CG2 THR A 26 -10.763 0.764 1.056 1.00 0.00 C ATOM 0 HA THR A 26 -14.075 1.613 0.604 1.00 0.00 H new ATOM 0 HB THR A 26 -11.806 1.671 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.349 -0.280 -1.235 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.009 0.303 0.418 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.390 1.718 1.428 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.978 0.106 1.898 1.00 0.00 H new ATOM 361 N LEU A 27 -13.406 -0.442 2.295 1.00 0.00 N ATOM 362 CA LEU A 27 -12.880 -1.378 3.263 1.00 0.00 C ATOM 363 C LEU A 27 -12.393 -2.622 2.543 1.00 0.00 C ATOM 364 O LEU A 27 -13.136 -3.588 2.365 1.00 0.00 O ATOM 365 CB LEU A 27 -13.929 -1.741 4.314 1.00 0.00 C ATOM 366 CG LEU A 27 -13.368 -1.940 5.722 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.095 -2.767 5.667 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.099 -0.596 6.381 1.00 0.00 C ATOM 0 H LEU A 27 -13.913 -0.873 1.522 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.046 -0.909 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.683 -0.955 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.435 -2.656 4.005 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.106 -2.475 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.705 -2.902 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.313 -3.741 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.353 -2.252 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.700 -0.755 7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.376 -0.038 5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.028 -0.030 6.446 1.00 0.00 H new ATOM 380 N VAL A 28 -11.170 -2.541 2.042 1.00 0.00 N ATOM 381 CA VAL A 28 -10.765 -3.333 0.897 1.00 0.00 C ATOM 382 C VAL A 28 -10.501 -4.773 1.270 1.00 0.00 C ATOM 383 O VAL A 28 -10.065 -5.077 2.380 1.00 0.00 O ATOM 384 CB VAL A 28 -9.522 -2.733 0.217 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.617 -3.810 -0.366 1.00 0.00 C ATOM 386 CG2 VAL A 28 -9.963 -1.768 -0.860 1.00 0.00 C ATOM 0 H VAL A 28 -10.441 -1.932 2.413 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.597 -3.313 0.193 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.939 -2.204 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.752 -3.343 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.282 -4.474 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.168 -4.385 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.086 -1.339 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.565 -2.297 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.556 -0.970 -0.413 1.00 0.00 H new ATOM 396 N ARG A 29 -10.752 -5.654 0.319 1.00 0.00 N ATOM 397 CA ARG A 29 -10.438 -7.054 0.490 1.00 0.00 C ATOM 398 C ARG A 29 -9.829 -7.625 -0.787 1.00 0.00 C ATOM 399 O ARG A 29 -10.548 -8.076 -1.679 1.00 0.00 O ATOM 400 CB ARG A 29 -11.696 -7.834 0.880 1.00 0.00 C ATOM 401 CG ARG A 29 -12.598 -7.089 1.855 1.00 0.00 C ATOM 402 CD ARG A 29 -13.875 -7.866 2.135 1.00 0.00 C ATOM 403 NE ARG A 29 -13.601 -9.182 2.704 1.00 0.00 N ATOM 404 CZ ARG A 29 -14.545 -10.078 2.975 1.00 0.00 C ATOM 405 NH1 ARG A 29 -15.818 -9.801 2.731 1.00 0.00 N ATOM 406 NH2 ARG A 29 -14.214 -11.255 3.492 1.00 0.00 N ATOM 0 H ARG A 29 -11.173 -5.421 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.706 -7.151 1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.263 -8.067 -0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.401 -8.784 1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.063 -6.917 2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.848 -6.110 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.502 -7.298 2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.439 -7.982 1.210 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.632 -9.428 2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.076 -8.898 2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.539 -10.491 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.235 -11.472 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.938 -11.943 3.700 1.00 0.00 H new ATOM 420 N PRO A 30 -8.490 -7.569 -0.908 1.00 0.00 N ATOM 421 CA PRO A 30 -7.793 -7.840 -2.160 1.00 0.00 C ATOM 422 C PRO A 30 -7.525 -9.325 -2.360 1.00 0.00 C ATOM 423 O PRO A 30 -7.665 -10.121 -1.432 1.00 0.00 O ATOM 424 CB PRO A 30 -6.464 -7.077 -2.007 1.00 0.00 C ATOM 425 CG PRO A 30 -6.460 -6.503 -0.620 1.00 0.00 C ATOM 426 CD PRO A 30 -7.543 -7.207 0.148 1.00 0.00 C ATOM 0 HA PRO A 30 -8.380 -7.532 -3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.615 -7.744 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.382 -6.287 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.491 -6.651 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.642 -5.429 -0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.165 -8.084 0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.998 -6.559 0.897 1.00 0.00 H new ATOM 434 N LYS A 31 -7.106 -9.689 -3.569 1.00 0.00 N ATOM 435 CA LYS A 31 -6.616 -11.035 -3.831 1.00 0.00 C ATOM 436 C LYS A 31 -5.476 -11.376 -2.874 1.00 0.00 C ATOM 437 O LYS A 31 -4.450 -10.697 -2.858 1.00 0.00 O ATOM 438 CB LYS A 31 -6.146 -11.162 -5.282 1.00 0.00 C ATOM 439 CG LYS A 31 -5.132 -10.105 -5.692 1.00 0.00 C ATOM 440 CD LYS A 31 -4.701 -10.274 -7.141 1.00 0.00 C ATOM 441 CE LYS A 31 -3.942 -11.576 -7.352 1.00 0.00 C ATOM 442 NZ LYS A 31 -3.517 -11.748 -8.768 1.00 0.00 N ATOM 0 H LYS A 31 -7.097 -9.070 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.433 -11.739 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.707 -12.149 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.011 -11.098 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.563 -9.113 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.259 -10.167 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.579 -10.255 -7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.072 -9.434 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.065 -11.594 -6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.572 -12.415 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.003 -12.647 -8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.355 -11.757 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.895 -10.961 -9.042 1.00 0.00 H new ATOM 456 N PRO A 32 -5.662 -12.411 -2.033 1.00 0.00 N ATOM 457 CA PRO A 32 -4.748 -12.704 -0.922 1.00 0.00 C ATOM 458 C PRO A 32 -3.288 -12.767 -1.358 1.00 0.00 C ATOM 459 O PRO A 32 -2.778 -13.832 -1.704 1.00 0.00 O ATOM 460 CB PRO A 32 -5.218 -14.074 -0.432 1.00 0.00 C ATOM 461 CG PRO A 32 -6.661 -14.131 -0.798 1.00 0.00 C ATOM 462 CD PRO A 32 -6.794 -13.358 -2.082 1.00 0.00 C ATOM 0 HA PRO A 32 -4.777 -11.925 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.657 -14.879 -0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.078 -14.180 0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.990 -15.162 -0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.280 -13.695 -0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.733 -14.012 -2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.750 -12.838 -2.140 1.00 0.00 H new ATOM 470 N LEU A 33 -2.611 -11.622 -1.307 1.00 0.00 N ATOM 471 CA LEU A 33 -1.167 -11.584 -1.497 1.00 0.00 C ATOM 472 C LEU A 33 -0.469 -12.355 -0.391 1.00 0.00 C ATOM 473 O LEU A 33 0.022 -13.464 -0.609 1.00 0.00 O ATOM 474 CB LEU A 33 -0.668 -10.139 -1.533 1.00 0.00 C ATOM 475 CG LEU A 33 -1.193 -9.298 -2.701 1.00 0.00 C ATOM 476 CD1 LEU A 33 -0.519 -7.937 -2.716 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.973 -10.017 -4.025 1.00 0.00 C ATOM 0 H LEU A 33 -3.039 -10.712 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.933 -12.054 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.948 -9.651 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.421 -10.148 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.265 -9.154 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.902 -7.351 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.728 -7.417 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.558 -8.065 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.353 -9.402 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.093 -10.194 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.501 -10.971 -4.013 1.00 0.00 H new ATOM 489 N LEU A 34 -0.478 -11.791 0.809 1.00 0.00 N ATOM 490 CA LEU A 34 -0.157 -12.550 2.003 1.00 0.00 C ATOM 491 C LEU A 34 -1.016 -12.083 3.164 1.00 0.00 C ATOM 492 O LEU A 34 -1.784 -12.860 3.733 1.00 0.00 O ATOM 493 CB LEU A 34 1.326 -12.416 2.357 1.00 0.00 C ATOM 494 CG LEU A 34 2.297 -12.949 1.301 1.00 0.00 C ATOM 495 CD1 LEU A 34 2.634 -11.865 0.289 1.00 0.00 C ATOM 496 CD2 LEU A 34 3.560 -13.483 1.957 1.00 0.00 C ATOM 0 H LEU A 34 -0.704 -10.811 0.978 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.365 -13.601 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.548 -11.363 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.509 -12.942 3.294 1.00 0.00 H new ATOM 0 HG LEU A 34 1.813 -13.771 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.326 -12.263 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.721 -11.533 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.097 -11.021 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.238 -13.857 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.048 -12.682 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.301 -14.293 2.639 1.00 0.00 H new ATOM 508 N LEU A 35 -0.870 -10.808 3.513 1.00 0.00 N ATOM 509 CA LEU A 35 -1.555 -10.240 4.668 1.00 0.00 C ATOM 510 C LEU A 35 -1.058 -10.890 5.957 1.00 0.00 C ATOM 511 O LEU A 35 -1.221 -10.338 7.033 1.00 0.00 O ATOM 512 CB LEU A 35 -3.073 -10.397 4.532 1.00 0.00 C ATOM 513 CG LEU A 35 -3.694 -9.665 3.339 1.00 0.00 C ATOM 514 CD1 LEU A 35 -3.422 -10.424 2.051 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.191 -9.483 3.544 1.00 0.00 C ATOM 0 H LEU A 35 -0.280 -10.146 3.009 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.328 -9.175 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.308 -11.458 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.544 -10.036 5.446 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.235 -8.679 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.870 -9.890 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.346 -10.505 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.855 -11.422 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.615 -8.961 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.666 -10.459 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.366 -8.899 4.447 1.00 0.00 H new ATOM 527 N LYS A 36 -0.352 -12.009 5.824 1.00 0.00 N ATOM 528 CA LYS A 36 0.721 -12.341 6.748 1.00 0.00 C ATOM 529 C LYS A 36 1.905 -11.424 6.481 1.00 0.00 C ATOM 530 O LYS A 36 2.877 -11.393 7.234 1.00 0.00 O ATOM 531 CB LYS A 36 1.137 -13.802 6.579 1.00 0.00 C ATOM 532 CG LYS A 36 2.045 -14.316 7.685 1.00 0.00 C ATOM 533 CD LYS A 36 1.333 -14.335 9.028 1.00 0.00 C ATOM 534 CE LYS A 36 2.241 -14.857 10.131 1.00 0.00 C ATOM 535 NZ LYS A 36 2.707 -16.244 9.858 1.00 0.00 N ATOM 0 H LYS A 36 -0.505 -12.697 5.087 1.00 0.00 H new ATOM 0 HA LYS A 36 0.373 -12.202 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.242 -14.422 6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.646 -13.916 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.386 -15.322 7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.932 -13.686 7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.997 -13.329 9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.443 -14.961 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.103 -14.198 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.708 -14.834 11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.134 -16.642 10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.899 -16.831 9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.414 -16.229 9.096 1.00 0.00 H new ATOM 549 N LEU A 37 1.788 -10.663 5.399 1.00 0.00 N ATOM 550 CA LEU A 37 2.755 -9.639 5.058 1.00 0.00 C ATOM 551 C LEU A 37 2.427 -8.347 5.804 1.00 0.00 C ATOM 552 O LEU A 37 3.210 -7.399 5.802 1.00 0.00 O ATOM 553 CB LEU A 37 2.736 -9.425 3.539 1.00 0.00 C ATOM 554 CG LEU A 37 3.573 -8.263 3.013 1.00 0.00 C ATOM 555 CD1 LEU A 37 4.204 -8.616 1.676 1.00 0.00 C ATOM 556 CD2 LEU A 37 2.706 -7.032 2.874 1.00 0.00 C ATOM 0 H LEU A 37 1.017 -10.743 4.736 1.00 0.00 H new ATOM 0 HA LEU A 37 3.756 -9.951 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.081 -10.341 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.703 -9.272 3.227 1.00 0.00 H new ATOM 0 HG LEU A 37 4.374 -8.059 3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.796 -7.773 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.848 -9.487 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.421 -8.841 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.307 -6.204 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.893 -7.236 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.292 -6.767 3.847 1.00 0.00 H new ATOM 568 N LEU A 38 1.261 -8.326 6.451 1.00 0.00 N ATOM 569 CA LEU A 38 0.811 -7.146 7.183 1.00 0.00 C ATOM 570 C LEU A 38 0.303 -7.513 8.577 1.00 0.00 C ATOM 571 O LEU A 38 0.760 -6.962 9.576 1.00 0.00 O ATOM 572 CB LEU A 38 -0.288 -6.427 6.405 1.00 0.00 C ATOM 573 CG LEU A 38 0.100 -5.988 4.996 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.033 -5.217 4.346 1.00 0.00 C ATOM 575 CD2 LEU A 38 1.356 -5.145 5.037 1.00 0.00 C ATOM 0 H LEU A 38 0.613 -9.113 6.482 1.00 0.00 H new ATOM 0 HA LEU A 38 1.667 -6.481 7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.155 -7.085 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.597 -5.548 6.971 1.00 0.00 H new ATOM 0 HG LEU A 38 0.296 -6.878 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.737 -4.913 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.918 -5.851 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.260 -4.332 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.622 -4.839 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.181 -4.261 5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.171 -5.728 5.466 1.00 0.00 H new ATOM 587 N LYS A 39 -0.637 -8.450 8.638 1.00 0.00 N ATOM 588 CA LYS A 39 -1.119 -8.965 9.920 1.00 0.00 C ATOM 589 C LYS A 39 0.044 -9.355 10.828 1.00 0.00 C ATOM 590 O LYS A 39 -0.112 -9.445 12.046 1.00 0.00 O ATOM 591 CB LYS A 39 -2.044 -10.168 9.712 1.00 0.00 C ATOM 592 CG LYS A 39 -3.390 -9.807 9.102 1.00 0.00 C ATOM 593 CD LYS A 39 -4.250 -11.037 8.864 1.00 0.00 C ATOM 594 CE LYS A 39 -3.738 -11.866 7.695 1.00 0.00 C ATOM 595 NZ LYS A 39 -4.543 -13.102 7.496 1.00 0.00 N ATOM 0 H LYS A 39 -1.080 -8.869 7.820 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.683 -8.167 10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.545 -10.891 9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.210 -10.658 10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.916 -9.118 9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.233 -9.285 8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.265 -11.650 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.278 -10.730 8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.764 -11.266 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.696 -12.135 7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.162 -13.638 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.498 -13.687 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.532 -12.845 7.304 1.00 0.00 H new ATOM 609 N SER A 40 1.213 -9.566 10.231 1.00 0.00 N ATOM 610 CA SER A 40 2.425 -9.822 11.000 1.00 0.00 C ATOM 611 C SER A 40 3.000 -8.528 11.572 1.00 0.00 C ATOM 612 O SER A 40 3.313 -8.451 12.761 1.00 0.00 O ATOM 613 CB SER A 40 3.473 -10.518 10.130 1.00 0.00 C ATOM 614 OG SER A 40 3.060 -11.830 9.787 1.00 0.00 O ATOM 0 H SER A 40 1.346 -9.565 9.220 1.00 0.00 H new ATOM 0 HA SER A 40 2.160 -10.476 11.831 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.641 -9.937 9.223 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.423 -10.560 10.663 1.00 0.00 H new ATOM 0 HG SER A 40 3.185 -11.971 8.825 1.00 0.00 H new ATOM 620 N VAL A 41 3.147 -7.516 10.720 1.00 0.00 N ATOM 621 CA VAL A 41 3.741 -6.252 11.133 1.00 0.00 C ATOM 622 C VAL A 41 2.807 -5.474 12.059 1.00 0.00 C ATOM 623 O VAL A 41 3.249 -4.605 12.812 1.00 0.00 O ATOM 624 CB VAL A 41 4.113 -5.381 9.910 1.00 0.00 C ATOM 625 CG1 VAL A 41 2.952 -5.281 8.938 1.00 0.00 C ATOM 626 CG2 VAL A 41 4.558 -3.996 10.343 1.00 0.00 C ATOM 0 H VAL A 41 2.863 -7.549 9.741 1.00 0.00 H new ATOM 0 HA VAL A 41 4.652 -6.491 11.681 1.00 0.00 H new ATOM 0 HB VAL A 41 4.946 -5.866 9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.241 -4.663 8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.684 -6.278 8.588 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.096 -4.830 9.439 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.814 -3.405 9.464 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.749 -3.507 10.886 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.431 -4.080 10.990 1.00 0.00 H new ATOM 636 N GLY A 42 1.517 -5.796 12.014 1.00 0.00 N ATOM 637 CA GLY A 42 0.561 -5.114 12.870 1.00 0.00 C ATOM 638 C GLY A 42 -0.846 -5.674 12.764 1.00 0.00 C ATOM 639 O GLY A 42 -1.476 -5.968 13.780 1.00 0.00 O ATOM 0 H GLY A 42 1.119 -6.511 11.405 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.896 -5.184 13.905 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.544 -4.055 12.612 1.00 0.00 H new ATOM 643 N ALA A 43 -1.358 -5.776 11.538 1.00 0.00 N ATOM 644 CA ALA A 43 -2.777 -6.063 11.324 1.00 0.00 C ATOM 645 C ALA A 43 -3.212 -7.326 12.061 1.00 0.00 C ATOM 646 O ALA A 43 -2.383 -8.124 12.496 1.00 0.00 O ATOM 647 CB ALA A 43 -3.081 -6.191 9.837 1.00 0.00 C ATOM 0 H ALA A 43 -0.815 -5.665 10.682 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.344 -5.226 11.730 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.141 -6.404 9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.830 -5.258 9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.490 -7.003 9.413 1.00 0.00 H new ATOM 653 N GLN A 44 -4.523 -7.498 12.192 1.00 0.00 N ATOM 654 CA GLN A 44 -5.082 -8.676 12.845 1.00 0.00 C ATOM 655 C GLN A 44 -6.525 -8.897 12.406 1.00 0.00 C ATOM 656 O GLN A 44 -7.188 -9.831 12.862 1.00 0.00 O ATOM 657 CB GLN A 44 -5.011 -8.526 14.365 1.00 0.00 C ATOM 658 CG GLN A 44 -5.752 -7.306 14.891 1.00 0.00 C ATOM 659 CD GLN A 44 -5.668 -7.174 16.400 1.00 0.00 C ATOM 660 OE1 GLN A 44 -6.582 -6.657 17.041 1.00 0.00 O ATOM 661 NE2 GLN A 44 -4.563 -7.636 16.976 1.00 0.00 N ATOM 0 H GLN A 44 -5.220 -6.835 11.854 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.492 -9.544 12.550 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.425 -9.421 14.830 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.966 -8.464 14.667 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.340 -6.409 14.429 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.799 -7.366 14.594 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.829 -8.058 16.407 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.449 -7.569 17.987 1.00 0.00 H new ATOM 670 N LYS A 45 -7.003 -8.032 11.518 1.00 0.00 N ATOM 671 CA LYS A 45 -8.368 -8.128 11.011 1.00 0.00 C ATOM 672 C LYS A 45 -8.467 -9.195 9.928 1.00 0.00 C ATOM 673 O LYS A 45 -7.460 -9.762 9.506 1.00 0.00 O ATOM 674 CB LYS A 45 -8.826 -6.779 10.449 1.00 0.00 C ATOM 675 CG LYS A 45 -8.717 -5.627 11.437 1.00 0.00 C ATOM 676 CD LYS A 45 -7.302 -5.072 11.510 1.00 0.00 C ATOM 677 CE LYS A 45 -6.872 -4.452 10.189 1.00 0.00 C ATOM 678 NZ LYS A 45 -5.513 -3.850 10.275 1.00 0.00 N ATOM 0 H LYS A 45 -6.465 -7.255 11.134 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.017 -8.408 11.841 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.231 -6.544 9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.862 -6.866 10.122 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.404 -4.832 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.025 -5.967 12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.245 -4.322 12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.611 -5.871 11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.883 -5.214 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.590 -3.686 9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.589 -2.814 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.068 -4.125 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.932 -4.190 9.482 1.00 0.00 H new ATOM 692 N ASP A 46 -9.687 -9.450 9.468 1.00 0.00 N ATOM 693 CA ASP A 46 -9.909 -10.358 8.350 1.00 0.00 C ATOM 694 C ASP A 46 -9.815 -9.610 7.025 1.00 0.00 C ATOM 695 O ASP A 46 -9.740 -10.219 5.958 1.00 0.00 O ATOM 696 CB ASP A 46 -11.277 -11.032 8.476 1.00 0.00 C ATOM 697 CG ASP A 46 -11.537 -12.029 7.363 1.00 0.00 C ATOM 698 OD1 ASP A 46 -11.184 -13.214 7.533 1.00 0.00 O ATOM 699 OD2 ASP A 46 -12.094 -11.624 6.321 1.00 0.00 O ATOM 0 H ASP A 46 -10.538 -9.040 9.853 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.135 -11.125 8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.341 -11.541 9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.056 -10.270 8.466 1.00 0.00 H new ATOM 704 N THR A 47 -9.819 -8.282 7.104 1.00 0.00 N ATOM 705 CA THR A 47 -9.733 -7.442 5.915 1.00 0.00 C ATOM 706 C THR A 47 -8.725 -6.321 6.099 1.00 0.00 C ATOM 707 O THR A 47 -8.054 -6.227 7.127 1.00 0.00 O ATOM 708 CB THR A 47 -11.094 -6.808 5.571 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.581 -6.057 6.688 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.114 -7.865 5.187 1.00 0.00 C ATOM 0 H THR A 47 -9.881 -7.765 7.981 1.00 0.00 H new ATOM 0 HA THR A 47 -9.415 -8.096 5.103 1.00 0.00 H new ATOM 0 HB THR A 47 -10.948 -6.145 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.446 -5.656 6.460 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.064 -7.385 4.950 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.758 -8.415 4.316 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.254 -8.555 6.019 1.00 0.00 H new ATOM 718 N TYR A 48 -8.646 -5.461 5.094 1.00 0.00 N ATOM 719 CA TYR A 48 -7.826 -4.265 5.162 1.00 0.00 C ATOM 720 C TYR A 48 -8.555 -3.083 4.560 1.00 0.00 C ATOM 721 O TYR A 48 -9.713 -3.194 4.161 1.00 0.00 O ATOM 722 CB TYR A 48 -6.517 -4.477 4.417 1.00 0.00 C ATOM 723 CG TYR A 48 -5.516 -5.299 5.177 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.589 -6.682 5.183 1.00 0.00 C ATOM 725 CD2 TYR A 48 -4.494 -4.688 5.885 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.665 -7.438 5.873 1.00 0.00 C ATOM 727 CE2 TYR A 48 -3.563 -5.439 6.578 1.00 0.00 C ATOM 728 CZ TYR A 48 -3.656 -6.816 6.565 1.00 0.00 C ATOM 729 OH TYR A 48 -2.737 -7.574 7.249 1.00 0.00 O ATOM 0 H TYR A 48 -9.147 -5.574 4.213 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.617 -4.060 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.726 -4.964 3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.078 -3.506 4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.381 -7.175 4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.424 -3.610 5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.735 -8.516 5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.769 -4.952 7.125 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.474 -8.342 6.701 1.00 0.00 H new ATOM 739 N THR A 49 -7.865 -1.960 4.463 1.00 0.00 N ATOM 740 CA THR A 49 -8.424 -0.799 3.793 1.00 0.00 C ATOM 741 C THR A 49 -7.371 -0.086 2.957 1.00 0.00 C ATOM 742 O THR A 49 -6.211 -0.493 2.920 1.00 0.00 O ATOM 743 CB THR A 49 -9.029 0.200 4.796 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.462 -0.487 5.976 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.206 0.946 4.186 1.00 0.00 C ATOM 0 H THR A 49 -6.925 -1.828 4.836 1.00 0.00 H new ATOM 0 HA THR A 49 -9.216 -1.167 3.141 1.00 0.00 H new ATOM 0 HB THR A 49 -8.255 0.923 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.844 0.157 6.608 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.613 1.644 4.917 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.872 1.496 3.306 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.978 0.233 3.897 1.00 0.00 H new ATOM 753 N MET A 50 -7.785 0.979 2.288 1.00 0.00 N ATOM 754 CA MET A 50 -6.890 1.750 1.438 1.00 0.00 C ATOM 755 C MET A 50 -5.791 2.425 2.257 1.00 0.00 C ATOM 756 O MET A 50 -4.614 2.369 1.896 1.00 0.00 O ATOM 757 CB MET A 50 -7.690 2.793 0.664 1.00 0.00 C ATOM 758 CG MET A 50 -8.242 2.276 -0.656 1.00 0.00 C ATOM 759 SD MET A 50 -6.944 1.834 -1.825 1.00 0.00 S ATOM 760 CE MET A 50 -7.919 1.285 -3.224 1.00 0.00 C ATOM 0 H MET A 50 -8.742 1.331 2.318 1.00 0.00 H new ATOM 0 HA MET A 50 -6.409 1.068 0.737 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.517 3.139 1.284 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.054 3.657 0.470 1.00 0.00 H new ATOM 0 HG2 MET A 50 -8.868 1.404 -0.467 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.882 3.038 -1.101 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.255 0.978 -4.032 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.541 0.442 -2.925 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.555 2.101 -3.567 1.00 0.00 H new ATOM 770 N LYS A 51 -6.179 3.063 3.357 1.00 0.00 N ATOM 771 CA LYS A 51 -5.225 3.782 4.194 1.00 0.00 C ATOM 772 C LYS A 51 -4.556 2.822 5.165 1.00 0.00 C ATOM 773 O LYS A 51 -3.387 2.987 5.518 1.00 0.00 O ATOM 774 CB LYS A 51 -5.920 4.908 4.960 1.00 0.00 C ATOM 775 CG LYS A 51 -4.977 5.732 5.822 1.00 0.00 C ATOM 776 CD LYS A 51 -5.717 6.833 6.564 1.00 0.00 C ATOM 777 CE LYS A 51 -4.772 7.657 7.424 1.00 0.00 C ATOM 778 NZ LYS A 51 -5.489 8.736 8.159 1.00 0.00 N ATOM 0 H LYS A 51 -7.143 3.097 3.688 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.464 4.223 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.417 5.567 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.697 4.479 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.477 5.082 6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.201 6.172 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.219 7.483 5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.492 6.393 7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.268 7.005 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.999 8.098 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.810 9.275 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.949 9.373 7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.209 8.314 8.779 1.00 0.00 H new ATOM 792 N GLU A 52 -5.296 1.792 5.557 1.00 0.00 N ATOM 793 CA GLU A 52 -4.727 0.672 6.287 1.00 0.00 C ATOM 794 C GLU A 52 -3.466 0.178 5.590 1.00 0.00 C ATOM 795 O GLU A 52 -2.358 0.351 6.094 1.00 0.00 O ATOM 796 CB GLU A 52 -5.746 -0.460 6.384 1.00 0.00 C ATOM 797 CG GLU A 52 -5.602 -1.314 7.635 1.00 0.00 C ATOM 798 CD GLU A 52 -5.912 -0.547 8.905 1.00 0.00 C ATOM 799 OE1 GLU A 52 -7.098 -0.494 9.292 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.967 -0.003 9.514 1.00 0.00 O ATOM 0 H GLU A 52 -6.297 1.712 5.379 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.467 1.003 7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.750 -0.035 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.649 -1.099 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.269 -2.173 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.585 -1.703 7.689 1.00 0.00 H new ATOM 807 N VAL A 53 -3.646 -0.423 4.415 1.00 0.00 N ATOM 808 CA VAL A 53 -2.525 -0.910 3.619 1.00 0.00 C ATOM 809 C VAL A 53 -1.505 0.195 3.368 1.00 0.00 C ATOM 810 O VAL A 53 -0.310 -0.073 3.253 1.00 0.00 O ATOM 811 CB VAL A 53 -2.995 -1.471 2.263 1.00 0.00 C ATOM 812 CG1 VAL A 53 -1.817 -2.013 1.469 1.00 0.00 C ATOM 813 CG2 VAL A 53 -4.047 -2.549 2.466 1.00 0.00 C ATOM 0 H VAL A 53 -4.561 -0.584 3.994 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.059 -1.710 4.194 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.444 -0.658 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.170 -2.404 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.100 -1.212 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.335 -2.812 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.366 -2.933 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.626 -3.362 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.905 -2.126 2.989 1.00 0.00 H new ATOM 823 N LEU A 54 -1.982 1.434 3.281 1.00 0.00 N ATOM 824 CA LEU A 54 -1.102 2.573 3.041 1.00 0.00 C ATOM 825 C LEU A 54 0.092 2.543 3.989 1.00 0.00 C ATOM 826 O LEU A 54 1.205 2.195 3.589 1.00 0.00 O ATOM 827 CB LEU A 54 -1.865 3.891 3.199 1.00 0.00 C ATOM 828 CG LEU A 54 -1.049 5.154 2.910 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.524 5.138 1.482 1.00 0.00 C ATOM 830 CD2 LEU A 54 -1.888 6.398 3.157 1.00 0.00 C ATOM 0 H LEU A 54 -2.969 1.674 3.373 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.735 2.503 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.728 3.875 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.249 3.951 4.217 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.196 5.174 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.053 6.044 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.114 4.266 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.362 5.093 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.292 7.286 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.761 6.384 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.213 6.417 4.197 1.00 0.00 H new ATOM 842 N PHE A 55 -0.138 2.906 5.246 1.00 0.00 N ATOM 843 CA PHE A 55 0.945 2.955 6.219 1.00 0.00 C ATOM 844 C PHE A 55 1.418 1.552 6.585 1.00 0.00 C ATOM 845 O PHE A 55 2.587 1.356 6.911 1.00 0.00 O ATOM 846 CB PHE A 55 0.520 3.723 7.476 1.00 0.00 C ATOM 847 CG PHE A 55 -0.758 3.234 8.101 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.776 2.084 8.871 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.939 3.937 7.925 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.949 1.639 9.451 1.00 0.00 C ATOM 851 CE2 PHE A 55 -3.115 3.499 8.503 1.00 0.00 C ATOM 852 CZ PHE A 55 -3.120 2.349 9.266 1.00 0.00 C ATOM 0 H PHE A 55 -1.054 3.168 5.611 1.00 0.00 H new ATOM 0 HA PHE A 55 1.779 3.486 5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.319 3.658 8.214 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.406 4.777 7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.138 1.528 9.020 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.940 4.838 7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.950 0.739 10.047 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.029 4.056 8.358 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.038 2.004 9.718 1.00 0.00 H new ATOM 862 N TYR A 56 0.509 0.579 6.531 1.00 0.00 N ATOM 863 CA TYR A 56 0.823 -0.785 6.951 1.00 0.00 C ATOM 864 C TYR A 56 1.835 -1.438 6.026 1.00 0.00 C ATOM 865 O TYR A 56 2.931 -1.798 6.449 1.00 0.00 O ATOM 866 CB TYR A 56 -0.436 -1.642 7.022 1.00 0.00 C ATOM 867 CG TYR A 56 -0.819 -2.014 8.433 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.155 -2.263 9.394 1.00 0.00 C ATOM 869 CD2 TYR A 56 -2.153 -2.117 8.806 1.00 0.00 C ATOM 870 CE1 TYR A 56 -0.189 -2.602 10.686 1.00 0.00 C ATOM 871 CE2 TYR A 56 -2.507 -2.455 10.095 1.00 0.00 C ATOM 872 CZ TYR A 56 -1.523 -2.697 11.034 1.00 0.00 C ATOM 873 OH TYR A 56 -1.874 -3.034 12.321 1.00 0.00 O ATOM 0 H TYR A 56 -0.447 0.710 6.202 1.00 0.00 H new ATOM 0 HA TYR A 56 1.261 -0.716 7.947 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.262 -1.103 6.558 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.282 -2.552 6.442 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.198 -2.190 9.124 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.925 -1.929 8.075 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.579 -2.792 11.421 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.549 -2.530 10.369 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.851 -3.056 12.399 1.00 0.00 H new ATOM 883 N LEU A 57 1.464 -1.598 4.764 1.00 0.00 N ATOM 884 CA LEU A 57 2.371 -2.174 3.790 1.00 0.00 C ATOM 885 C LEU A 57 3.658 -1.366 3.738 1.00 0.00 C ATOM 886 O LEU A 57 4.743 -1.923 3.590 1.00 0.00 O ATOM 887 CB LEU A 57 1.713 -2.229 2.411 1.00 0.00 C ATOM 888 CG LEU A 57 1.999 -3.502 1.612 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.177 -3.526 0.334 1.00 0.00 C ATOM 890 CD2 LEU A 57 3.480 -3.618 1.297 1.00 0.00 C ATOM 0 H LEU A 57 0.549 -1.339 4.396 1.00 0.00 H new ATOM 0 HA LEU A 57 2.610 -3.194 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.635 -2.130 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.048 -1.370 1.830 1.00 0.00 H new ATOM 0 HG LEU A 57 1.712 -4.359 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.394 -4.439 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.116 -3.496 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.431 -2.660 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.661 -4.530 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.796 -2.756 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.048 -3.651 2.227 1.00 0.00 H new ATOM 902 N GLY A 58 3.536 -0.053 3.918 1.00 0.00 N ATOM 903 CA GLY A 58 4.706 0.775 4.127 1.00 0.00 C ATOM 904 C GLY A 58 5.597 0.245 5.235 1.00 0.00 C ATOM 905 O GLY A 58 6.818 0.174 5.079 1.00 0.00 O ATOM 0 H GLY A 58 2.648 0.449 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.278 0.833 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.391 1.790 4.371 1.00 0.00 H new ATOM 909 N GLN A 59 4.985 -0.143 6.355 1.00 0.00 N ATOM 910 CA GLN A 59 5.733 -0.720 7.467 1.00 0.00 C ATOM 911 C GLN A 59 6.561 -1.908 6.998 1.00 0.00 C ATOM 912 O GLN A 59 7.778 -1.928 7.162 1.00 0.00 O ATOM 913 CB GLN A 59 4.798 -1.175 8.596 1.00 0.00 C ATOM 914 CG GLN A 59 3.794 -0.129 9.057 1.00 0.00 C ATOM 915 CD GLN A 59 4.442 1.152 9.556 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.516 1.544 9.102 1.00 0.00 O ATOM 917 NE2 GLN A 59 3.783 1.815 10.500 1.00 0.00 N ATOM 0 H GLN A 59 3.980 -0.068 6.513 1.00 0.00 H new ATOM 0 HA GLN A 59 6.393 0.059 7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.253 -2.058 8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.404 -1.477 9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.124 0.110 8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.181 -0.551 9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.895 1.456 10.850 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.165 2.683 10.875 1.00 0.00 H new ATOM 926 N TYR A 60 5.887 -2.920 6.453 1.00 0.00 N ATOM 927 CA TYR A 60 6.514 -4.216 6.237 1.00 0.00 C ATOM 928 C TYR A 60 7.624 -4.137 5.190 1.00 0.00 C ATOM 929 O TYR A 60 8.673 -4.764 5.344 1.00 0.00 O ATOM 930 CB TYR A 60 5.479 -5.259 5.822 1.00 0.00 C ATOM 931 CG TYR A 60 6.051 -6.652 5.727 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.182 -7.446 6.858 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.465 -7.170 4.509 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.713 -8.718 6.779 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.999 -8.440 4.420 1.00 0.00 C ATOM 936 CZ TYR A 60 7.119 -9.210 5.557 1.00 0.00 C ATOM 937 OH TYR A 60 7.654 -10.474 5.475 1.00 0.00 O ATOM 0 H TYR A 60 4.913 -2.865 6.156 1.00 0.00 H new ATOM 0 HA TYR A 60 6.961 -4.519 7.184 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.660 -5.257 6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.056 -4.979 4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.863 -7.062 7.816 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.368 -6.570 3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.810 -9.323 7.668 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.321 -8.828 3.465 1.00 0.00 H new ATOM 0 HH TYR A 60 7.255 -11.044 6.165 1.00 0.00 H new ATOM 947 N ILE A 61 7.404 -3.353 4.137 1.00 0.00 N ATOM 948 CA ILE A 61 8.456 -3.092 3.158 1.00 0.00 C ATOM 949 C ILE A 61 9.720 -2.616 3.859 1.00 0.00 C ATOM 950 O ILE A 61 10.780 -3.230 3.745 1.00 0.00 O ATOM 951 CB ILE A 61 8.031 -2.022 2.135 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.673 -2.361 1.531 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.073 -1.885 1.036 1.00 0.00 C ATOM 954 CD1 ILE A 61 5.980 -1.157 0.940 1.00 0.00 C ATOM 0 H ILE A 61 6.516 -2.891 3.941 1.00 0.00 H new ATOM 0 HA ILE A 61 8.643 -4.028 2.631 1.00 0.00 H new ATOM 0 HB ILE A 61 7.950 -1.069 2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.803 -3.117 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.037 -2.800 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.753 -1.124 0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.028 -1.594 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.186 -2.839 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.018 -1.458 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.822 -0.410 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.599 -0.732 0.150 1.00 0.00 H new ATOM 966 N MET A 62 9.590 -1.513 4.587 1.00 0.00 N ATOM 967 CA MET A 62 10.713 -0.941 5.321 1.00 0.00 C ATOM 968 C MET A 62 11.202 -1.878 6.427 1.00 0.00 C ATOM 969 O MET A 62 12.365 -1.817 6.829 1.00 0.00 O ATOM 970 CB MET A 62 10.313 0.405 5.928 1.00 0.00 C ATOM 971 CG MET A 62 9.705 1.366 4.921 1.00 0.00 C ATOM 972 SD MET A 62 9.237 2.943 5.659 1.00 0.00 S ATOM 973 CE MET A 62 8.558 3.793 4.237 1.00 0.00 C ATOM 0 H MET A 62 8.716 -0.996 4.685 1.00 0.00 H new ATOM 0 HA MET A 62 11.530 -0.798 4.614 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.598 0.234 6.733 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.192 0.868 6.376 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.419 1.544 4.117 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.826 0.905 4.470 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.223 4.787 4.533 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.324 3.882 3.467 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.713 3.228 3.844 1.00 0.00 H new ATOM 983 N THR A 63 10.304 -2.710 6.949 1.00 0.00 N ATOM 984 CA THR A 63 10.576 -3.444 8.183 1.00 0.00 C ATOM 985 C THR A 63 11.519 -4.624 7.944 1.00 0.00 C ATOM 986 O THR A 63 12.289 -5.001 8.827 1.00 0.00 O ATOM 987 CB THR A 63 9.280 -3.951 8.851 1.00 0.00 C ATOM 988 OG1 THR A 63 9.466 -4.044 10.268 1.00 0.00 O ATOM 989 CG2 THR A 63 8.876 -5.314 8.311 1.00 0.00 C ATOM 0 H THR A 63 9.387 -2.892 6.540 1.00 0.00 H new ATOM 0 HA THR A 63 11.060 -2.736 8.856 1.00 0.00 H new ATOM 0 HB THR A 63 8.487 -3.238 8.624 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.640 -4.365 10.686 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.960 -5.643 8.802 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.707 -5.244 7.236 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.671 -6.033 8.507 1.00 0.00 H new ATOM 997 N LYS A 64 11.444 -5.216 6.753 1.00 0.00 N ATOM 998 CA LYS A 64 12.219 -6.416 6.449 1.00 0.00 C ATOM 999 C LYS A 64 13.477 -6.074 5.662 1.00 0.00 C ATOM 1000 O LYS A 64 14.151 -6.955 5.129 1.00 0.00 O ATOM 1001 CB LYS A 64 11.368 -7.419 5.665 1.00 0.00 C ATOM 1002 CG LYS A 64 10.174 -7.953 6.441 1.00 0.00 C ATOM 1003 CD LYS A 64 10.570 -9.057 7.413 1.00 0.00 C ATOM 1004 CE LYS A 64 11.151 -8.496 8.701 1.00 0.00 C ATOM 1005 NZ LYS A 64 11.520 -9.574 9.659 1.00 0.00 N ATOM 0 H LYS A 64 10.857 -4.886 5.987 1.00 0.00 H new ATOM 0 HA LYS A 64 12.519 -6.867 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.012 -6.943 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.997 -8.257 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.705 -7.137 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.430 -8.335 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.697 -9.668 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.301 -9.712 6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.032 -7.897 8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.425 -7.829 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.912 -9.150 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.674 -10.130 9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.232 -10.196 9.225 1.00 0.00 H new ATOM 1019 N ARG A 65 13.792 -4.786 5.614 1.00 0.00 N ATOM 1020 CA ARG A 65 15.017 -4.308 4.981 1.00 0.00 C ATOM 1021 C ARG A 65 15.170 -4.867 3.569 1.00 0.00 C ATOM 1022 O ARG A 65 16.270 -5.216 3.144 1.00 0.00 O ATOM 1023 CB ARG A 65 16.234 -4.686 5.828 1.00 0.00 C ATOM 1024 CG ARG A 65 16.196 -4.114 7.235 1.00 0.00 C ATOM 1025 CD ARG A 65 17.385 -4.582 8.060 1.00 0.00 C ATOM 1026 NE ARG A 65 17.411 -6.034 8.206 1.00 0.00 N ATOM 1027 CZ ARG A 65 18.273 -6.681 8.986 1.00 0.00 C ATOM 1028 NH1 ARG A 65 19.172 -6.008 9.689 1.00 0.00 N ATOM 1029 NH2 ARG A 65 18.233 -8.004 9.065 1.00 0.00 N ATOM 0 H ARG A 65 13.211 -4.047 6.009 1.00 0.00 H new ATOM 0 HA ARG A 65 14.952 -3.222 4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.301 -5.772 5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.137 -4.338 5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.192 -3.025 7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.270 -4.414 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.309 -4.249 7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.347 -4.119 9.046 1.00 0.00 H new ATOM 0 HE ARG A 65 16.731 -6.583 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.205 -4.990 9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.831 -6.508 10.286 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.541 -8.526 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.894 -8.499 9.663 1.00 0.00 H new ATOM 1043 N LEU A 66 14.061 -4.933 2.843 1.00 0.00 N ATOM 1044 CA LEU A 66 14.080 -5.386 1.459 1.00 0.00 C ATOM 1045 C LEU A 66 14.237 -4.203 0.508 1.00 0.00 C ATOM 1046 O LEU A 66 14.158 -4.355 -0.711 1.00 0.00 O ATOM 1047 CB LEU A 66 12.791 -6.146 1.149 1.00 0.00 C ATOM 1048 CG LEU A 66 12.386 -7.170 2.211 1.00 0.00 C ATOM 1049 CD1 LEU A 66 10.930 -7.561 2.044 1.00 0.00 C ATOM 1050 CD2 LEU A 66 13.281 -8.399 2.143 1.00 0.00 C ATOM 0 H LEU A 66 13.137 -4.678 3.191 1.00 0.00 H new ATOM 0 HA LEU A 66 14.932 -6.052 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.981 -5.427 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.907 -6.659 0.194 1.00 0.00 H new ATOM 0 HG LEU A 66 12.510 -6.712 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.659 -8.290 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.302 -6.676 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.782 -7.998 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.976 -9.114 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.193 -8.859 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.316 -8.105 2.315 1.00 0.00 H new ATOM 1062 N TYR A 67 14.460 -3.023 1.081 1.00 0.00 N ATOM 1063 CA TYR A 67 14.620 -1.803 0.300 1.00 0.00 C ATOM 1064 C TYR A 67 16.093 -1.525 0.020 1.00 0.00 C ATOM 1065 O TYR A 67 16.975 -2.187 0.565 1.00 0.00 O ATOM 1066 CB TYR A 67 13.996 -0.620 1.042 1.00 0.00 C ATOM 1067 CG TYR A 67 14.554 -0.412 2.431 1.00 0.00 C ATOM 1068 CD1 TYR A 67 15.666 0.395 2.637 1.00 0.00 C ATOM 1069 CD2 TYR A 67 13.973 -1.020 3.536 1.00 0.00 C ATOM 1070 CE1 TYR A 67 16.182 0.590 3.903 1.00 0.00 C ATOM 1071 CE2 TYR A 67 14.483 -0.829 4.806 1.00 0.00 C ATOM 1072 CZ TYR A 67 15.587 -0.023 4.983 1.00 0.00 C ATOM 1073 OH TYR A 67 16.099 0.169 6.247 1.00 0.00 O ATOM 0 H TYR A 67 14.534 -2.887 2.089 1.00 0.00 H new ATOM 0 HA TYR A 67 14.110 -1.938 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.152 0.287 0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.919 -0.773 1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.135 0.878 1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 67 13.108 -1.653 3.401 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.048 1.220 4.045 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.019 -1.309 5.655 1.00 0.00 H new ATOM 0 HH TYR A 67 15.563 -0.332 6.897 1.00 0.00 H new ATOM 1083 N ASP A 68 16.351 -0.539 -0.833 1.00 0.00 N ATOM 1084 CA ASP A 68 17.718 -0.160 -1.174 1.00 0.00 C ATOM 1085 C ASP A 68 18.421 0.466 0.025 1.00 0.00 C ATOM 1086 O ASP A 68 17.844 1.289 0.735 1.00 0.00 O ATOM 1087 CB ASP A 68 17.719 0.824 -2.345 1.00 0.00 C ATOM 1088 CG ASP A 68 19.120 1.213 -2.773 1.00 0.00 C ATOM 1089 OD1 ASP A 68 20.049 0.401 -2.579 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.292 2.333 -3.300 1.00 0.00 O ATOM 0 H ASP A 68 15.632 0.012 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 68 18.258 -1.062 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.194 0.379 -3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.166 1.720 -2.063 1.00 0.00 H new ATOM 1095 N GLU A 69 19.671 0.072 0.244 1.00 0.00 N ATOM 1096 CA GLU A 69 20.445 0.572 1.373 1.00 0.00 C ATOM 1097 C GLU A 69 20.850 2.025 1.152 1.00 0.00 C ATOM 1098 O GLU A 69 21.502 2.635 2.000 1.00 0.00 O ATOM 1099 CB GLU A 69 21.690 -0.288 1.583 1.00 0.00 C ATOM 1100 CG GLU A 69 21.405 -1.779 1.532 1.00 0.00 C ATOM 1101 CD GLU A 69 22.651 -2.619 1.734 1.00 0.00 C ATOM 1102 OE1 GLU A 69 23.317 -2.945 0.729 1.00 0.00 O ATOM 1103 OE2 GLU A 69 22.960 -2.951 2.898 1.00 0.00 O ATOM 0 H GLU A 69 20.170 -0.593 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 69 19.819 0.518 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.428 -0.040 0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.134 -0.043 2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 69 20.673 -2.031 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.957 -2.027 0.570 1.00 0.00 H new ATOM 1110 N LYS A 70 20.457 2.574 0.009 1.00 0.00 N ATOM 1111 CA LYS A 70 20.748 3.968 -0.309 1.00 0.00 C ATOM 1112 C LYS A 70 19.457 4.760 -0.484 1.00 0.00 C ATOM 1113 O LYS A 70 19.051 5.509 0.403 1.00 0.00 O ATOM 1114 CB LYS A 70 21.596 4.059 -1.578 1.00 0.00 C ATOM 1115 CG LYS A 70 22.931 3.339 -1.471 1.00 0.00 C ATOM 1116 CD LYS A 70 23.739 3.458 -2.754 1.00 0.00 C ATOM 1117 CE LYS A 70 24.152 4.896 -3.026 1.00 0.00 C ATOM 1118 NZ LYS A 70 24.945 5.019 -4.280 1.00 0.00 N ATOM 0 H LYS A 70 19.936 2.076 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 70 21.309 4.398 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 70 21.033 3.640 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.776 5.109 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.503 3.754 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 70 22.760 2.287 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.628 2.831 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.150 3.084 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.262 5.522 -3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.739 5.270 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 25.207 6.014 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 25.807 4.442 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 24.376 4.687 -5.085 1.00 0.00 H new ATOM 1132 N GLN A 71 18.799 4.559 -1.619 1.00 0.00 N ATOM 1133 CA GLN A 71 17.457 5.085 -1.828 1.00 0.00 C ATOM 1134 C GLN A 71 16.411 4.087 -1.344 1.00 0.00 C ATOM 1135 O GLN A 71 15.934 3.254 -2.113 1.00 0.00 O ATOM 1136 CB GLN A 71 17.233 5.403 -3.308 1.00 0.00 C ATOM 1137 CG GLN A 71 18.202 6.437 -3.861 1.00 0.00 C ATOM 1138 CD GLN A 71 17.971 6.728 -5.331 1.00 0.00 C ATOM 1139 OE1 GLN A 71 18.215 7.840 -5.801 1.00 0.00 O ATOM 1140 NE2 GLN A 71 17.500 5.728 -6.070 1.00 0.00 N ATOM 0 H GLN A 71 19.174 4.035 -2.410 1.00 0.00 H new ATOM 0 HA GLN A 71 17.356 6.005 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.326 4.484 -3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.213 5.764 -3.443 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.104 7.362 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.223 6.083 -3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.311 4.822 -5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.328 5.867 -7.066 1.00 0.00 H new ATOM 1149 N GLN A 72 16.075 4.167 -0.059 1.00 0.00 N ATOM 1150 CA GLN A 72 15.154 3.217 0.563 1.00 0.00 C ATOM 1151 C GLN A 72 13.841 3.133 -0.211 1.00 0.00 C ATOM 1152 O GLN A 72 13.090 2.168 -0.071 1.00 0.00 O ATOM 1153 CB GLN A 72 14.880 3.630 2.010 1.00 0.00 C ATOM 1154 CG GLN A 72 16.143 3.822 2.838 1.00 0.00 C ATOM 1155 CD GLN A 72 15.851 4.212 4.274 1.00 0.00 C ATOM 1156 OE1 GLN A 72 16.631 4.924 4.905 1.00 0.00 O ATOM 1157 NE2 GLN A 72 14.722 3.747 4.799 1.00 0.00 N ATOM 0 H GLN A 72 16.428 4.883 0.575 1.00 0.00 H new ATOM 0 HA GLN A 72 15.620 2.232 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.309 4.559 2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.257 2.872 2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.722 2.899 2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.761 4.592 2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.104 3.159 4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.474 3.978 5.761 1.00 0.00 H new ATOM 1166 N HIS A 73 13.571 4.149 -1.024 1.00 0.00 N ATOM 1167 CA HIS A 73 12.346 4.197 -1.811 1.00 0.00 C ATOM 1168 C HIS A 73 12.478 3.374 -3.091 1.00 0.00 C ATOM 1169 O HIS A 73 11.636 3.467 -3.982 1.00 0.00 O ATOM 1170 CB HIS A 73 11.993 5.646 -2.154 1.00 0.00 C ATOM 1171 CG HIS A 73 13.125 6.412 -2.764 1.00 0.00 C ATOM 1172 ND1 HIS A 73 13.806 7.408 -2.094 1.00 0.00 N ATOM 1173 CD2 HIS A 73 13.695 6.329 -3.990 1.00 0.00 C ATOM 1174 CE1 HIS A 73 14.745 7.903 -2.882 1.00 0.00 C ATOM 1175 NE2 HIS A 73 14.698 7.266 -4.037 1.00 0.00 N ATOM 0 H HIS A 73 14.186 4.952 -1.155 1.00 0.00 H new ATOM 0 HA HIS A 73 11.545 3.766 -1.211 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.149 5.652 -2.843 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.668 6.156 -1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.413 5.652 -4.783 1.00 0.00 H new ATOM 0 HE1 HIS A 73 15.434 8.694 -2.624 1.00 0.00 H new ATOM 0 HE2 HIS A 73 15.308 7.441 -4.835 1.00 0.00 H new ATOM 1184 N ILE A 74 13.517 2.543 -3.162 1.00 0.00 N ATOM 1185 CA ILE A 74 13.622 1.549 -4.224 1.00 0.00 C ATOM 1186 C ILE A 74 13.805 0.155 -3.635 1.00 0.00 C ATOM 1187 O ILE A 74 14.903 -0.216 -3.221 1.00 0.00 O ATOM 1188 CB ILE A 74 14.795 1.847 -5.178 1.00 0.00 C ATOM 1189 CG1 ILE A 74 14.785 3.316 -5.611 1.00 0.00 C ATOM 1190 CG2 ILE A 74 14.728 0.937 -6.396 1.00 0.00 C ATOM 1191 CD1 ILE A 74 13.543 3.722 -6.377 1.00 0.00 C ATOM 0 H ILE A 74 14.293 2.539 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 74 12.693 1.594 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 74 15.726 1.654 -4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 74 14.876 3.946 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.661 3.508 -6.231 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.562 1.158 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.785 -0.104 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.789 1.104 -6.924 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.611 4.776 -6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 74 13.460 3.119 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.663 3.564 -5.753 1.00 0.00 H new ATOM 1203 N VAL A 75 12.712 -0.594 -3.560 1.00 0.00 N ATOM 1204 CA VAL A 75 12.685 -1.832 -2.792 1.00 0.00 C ATOM 1205 C VAL A 75 13.089 -3.026 -3.644 1.00 0.00 C ATOM 1206 O VAL A 75 12.252 -3.625 -4.319 1.00 0.00 O ATOM 1207 CB VAL A 75 11.288 -2.096 -2.209 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.371 -3.051 -1.028 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.619 -0.791 -1.816 1.00 0.00 C ATOM 0 H VAL A 75 11.832 -0.365 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 75 13.402 -1.709 -1.980 1.00 0.00 H new ATOM 0 HB VAL A 75 10.676 -2.568 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.371 -3.225 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.801 -3.998 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.000 -2.616 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.631 -0.998 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.225 -0.283 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.520 -0.154 -2.695 1.00 0.00 H new ATOM 1219 N TYR A 76 14.366 -3.383 -3.581 1.00 0.00 N ATOM 1220 CA TYR A 76 14.846 -4.613 -4.198 1.00 0.00 C ATOM 1221 C TYR A 76 14.273 -5.834 -3.487 1.00 0.00 C ATOM 1222 O TYR A 76 14.837 -6.313 -2.503 1.00 0.00 O ATOM 1223 CB TYR A 76 16.376 -4.657 -4.165 1.00 0.00 C ATOM 1224 CG TYR A 76 17.027 -3.350 -4.562 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.455 -2.529 -5.527 1.00 0.00 C ATOM 1226 CD2 TYR A 76 18.215 -2.939 -3.972 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.049 -1.336 -5.891 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.814 -1.747 -4.330 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.228 -0.950 -5.289 1.00 0.00 C ATOM 1230 OH TYR A 76 18.822 0.238 -5.650 1.00 0.00 O ATOM 0 H TYR A 76 15.088 -2.838 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 76 14.511 -4.629 -5.235 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.702 -4.925 -3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.723 -5.444 -4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.531 -2.829 -6.000 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.678 -3.562 -3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.593 -0.709 -6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.737 -1.441 -3.860 1.00 0.00 H new ATOM 0 HH TYR A 76 18.133 0.876 -5.931 1.00 0.00 H new ATOM 1240 N CYS A 77 13.137 -6.320 -3.977 1.00 0.00 N ATOM 1241 CA CYS A 77 12.416 -7.394 -3.304 1.00 0.00 C ATOM 1242 C CYS A 77 12.627 -8.729 -4.011 1.00 0.00 C ATOM 1243 O CYS A 77 12.670 -9.779 -3.369 1.00 0.00 O ATOM 1244 CB CYS A 77 10.923 -7.072 -3.232 1.00 0.00 C ATOM 1245 SG CYS A 77 10.137 -6.843 -4.844 1.00 0.00 S ATOM 0 H CYS A 77 12.697 -5.988 -4.835 1.00 0.00 H new ATOM 0 HA CYS A 77 12.812 -7.477 -2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.414 -7.878 -2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.786 -6.166 -2.641 1.00 0.00 H new ATOM 0 HG CYS A 77 10.791 -7.514 -5.745 1.00 0.00 H new ATOM 1251 N SER A 78 12.764 -8.680 -5.333 1.00 0.00 N ATOM 1252 CA SER A 78 12.981 -9.882 -6.132 1.00 0.00 C ATOM 1253 C SER A 78 11.870 -10.904 -5.914 1.00 0.00 C ATOM 1254 O SER A 78 10.875 -10.921 -6.642 1.00 0.00 O ATOM 1255 CB SER A 78 14.339 -10.500 -5.799 1.00 0.00 C ATOM 1256 OG SER A 78 14.615 -11.609 -6.635 1.00 0.00 O ATOM 0 H SER A 78 12.728 -7.817 -5.875 1.00 0.00 H new ATOM 0 HA SER A 78 12.968 -9.592 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.121 -9.750 -5.915 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.352 -10.815 -4.756 1.00 0.00 H new ATOM 0 HG SER A 78 15.490 -11.984 -6.402 1.00 0.00 H new ATOM 1262 N ASN A 79 12.048 -11.757 -4.915 1.00 0.00 N ATOM 1263 CA ASN A 79 11.082 -12.811 -4.622 1.00 0.00 C ATOM 1264 C ASN A 79 10.710 -12.823 -3.141 1.00 0.00 C ATOM 1265 O ASN A 79 10.530 -13.884 -2.544 1.00 0.00 O ATOM 1266 CB ASN A 79 11.644 -14.174 -5.033 1.00 0.00 C ATOM 1267 CG ASN A 79 12.996 -14.460 -4.408 1.00 0.00 C ATOM 1268 OD1 ASN A 79 13.298 -13.994 -3.309 1.00 0.00 O ATOM 1269 ND2 ASN A 79 13.819 -15.231 -5.108 1.00 0.00 N ATOM 0 H ASN A 79 12.855 -11.741 -4.291 1.00 0.00 H new ATOM 0 HA ASN A 79 10.179 -12.608 -5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.941 -14.955 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.734 -14.213 -6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.742 -15.458 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.528 -15.596 -6.015 1.00 0.00 H new ATOM 1276 N ASP A 80 10.586 -11.635 -2.558 1.00 0.00 N ATOM 1277 CA ASP A 80 10.170 -11.504 -1.165 1.00 0.00 C ATOM 1278 C ASP A 80 8.665 -11.719 -1.021 1.00 0.00 C ATOM 1279 O ASP A 80 7.976 -12.064 -1.987 1.00 0.00 O ATOM 1280 CB ASP A 80 10.551 -10.125 -0.627 1.00 0.00 C ATOM 1281 CG ASP A 80 12.052 -9.945 -0.517 1.00 0.00 C ATOM 1282 OD1 ASP A 80 12.747 -10.935 -0.207 1.00 0.00 O ATOM 1283 OD2 ASP A 80 12.531 -8.816 -0.742 1.00 0.00 O ATOM 0 H ASP A 80 10.768 -10.748 -3.028 1.00 0.00 H new ATOM 0 HA ASP A 80 10.685 -12.270 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.142 -9.356 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.097 -9.982 0.354 1.00 0.00 H new ATOM 1288 N LEU A 81 8.152 -11.484 0.181 1.00 0.00 N ATOM 1289 CA LEU A 81 6.713 -11.441 0.388 1.00 0.00 C ATOM 1290 C LEU A 81 6.100 -10.308 -0.427 1.00 0.00 C ATOM 1291 O LEU A 81 5.036 -10.463 -1.029 1.00 0.00 O ATOM 1292 CB LEU A 81 6.386 -11.269 1.874 1.00 0.00 C ATOM 1293 CG LEU A 81 6.791 -12.447 2.767 1.00 0.00 C ATOM 1294 CD1 LEU A 81 8.284 -12.415 3.056 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.992 -12.434 4.063 1.00 0.00 C ATOM 0 H LEU A 81 8.708 -11.322 1.021 1.00 0.00 H new ATOM 0 HA LEU A 81 6.286 -12.386 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.882 -10.369 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.313 -11.106 1.978 1.00 0.00 H new ATOM 0 HG LEU A 81 6.568 -13.372 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.550 -13.260 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.837 -12.477 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.536 -11.485 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.293 -13.277 4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.181 -11.503 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.929 -12.512 3.836 1.00 0.00 H new ATOM 1307 N LEU A 82 6.810 -9.184 -0.489 1.00 0.00 N ATOM 1308 CA LEU A 82 6.494 -8.137 -1.453 1.00 0.00 C ATOM 1309 C LEU A 82 6.596 -8.670 -2.876 1.00 0.00 C ATOM 1310 O LEU A 82 5.959 -8.153 -3.794 1.00 0.00 O ATOM 1311 CB LEU A 82 7.437 -6.943 -1.279 1.00 0.00 C ATOM 1312 CG LEU A 82 6.950 -5.867 -0.305 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.610 -5.309 -0.762 1.00 0.00 C ATOM 1314 CD2 LEU A 82 6.848 -6.425 1.106 1.00 0.00 C ATOM 0 H LEU A 82 7.605 -8.977 0.115 1.00 0.00 H new ATOM 0 HA LEU A 82 5.471 -7.809 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.404 -7.311 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.599 -6.482 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 82 7.677 -5.055 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.276 -4.545 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.718 -4.869 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.875 -6.113 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.500 -5.644 1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.143 -7.256 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.828 -6.776 1.430 1.00 0.00 H new ATOM 1326 N GLY A 83 7.391 -9.721 -3.049 1.00 0.00 N ATOM 1327 CA GLY A 83 7.480 -10.384 -4.336 1.00 0.00 C ATOM 1328 C GLY A 83 6.136 -10.888 -4.818 1.00 0.00 C ATOM 1329 O GLY A 83 5.763 -10.667 -5.969 1.00 0.00 O ATOM 0 H GLY A 83 7.976 -10.126 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.891 -9.692 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.175 -11.221 -4.264 1.00 0.00 H new ATOM 1333 N ASP A 84 5.395 -11.550 -3.930 1.00 0.00 N ATOM 1334 CA ASP A 84 4.024 -11.954 -4.244 1.00 0.00 C ATOM 1335 C ASP A 84 3.189 -10.744 -4.640 1.00 0.00 C ATOM 1336 O ASP A 84 2.354 -10.821 -5.541 1.00 0.00 O ATOM 1337 CB ASP A 84 3.369 -12.656 -3.051 1.00 0.00 C ATOM 1338 CG ASP A 84 4.313 -13.605 -2.343 1.00 0.00 C ATOM 1339 OD1 ASP A 84 5.010 -13.161 -1.407 1.00 0.00 O ATOM 1340 OD2 ASP A 84 4.357 -14.794 -2.725 1.00 0.00 O ATOM 0 H ASP A 84 5.715 -11.816 -2.999 1.00 0.00 H new ATOM 0 HA ASP A 84 4.069 -12.652 -5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.015 -11.907 -2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.495 -13.209 -3.395 1.00 0.00 H new ATOM 1345 N LEU A 85 3.415 -9.630 -3.950 1.00 0.00 N ATOM 1346 CA LEU A 85 2.645 -8.414 -4.184 1.00 0.00 C ATOM 1347 C LEU A 85 2.714 -8.006 -5.650 1.00 0.00 C ATOM 1348 O LEU A 85 1.700 -7.989 -6.352 1.00 0.00 O ATOM 1349 CB LEU A 85 3.164 -7.268 -3.311 1.00 0.00 C ATOM 1350 CG LEU A 85 3.126 -7.494 -1.790 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.379 -6.358 -1.114 1.00 0.00 C ATOM 1352 CD2 LEU A 85 2.494 -8.829 -1.422 1.00 0.00 C ATOM 0 H LEU A 85 4.126 -9.545 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 85 1.608 -8.621 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.194 -7.059 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.582 -6.375 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 85 4.157 -7.515 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.357 -6.527 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.884 -5.415 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.359 -6.316 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.490 -8.943 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.470 -8.862 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.069 -9.640 -1.870 1.00 0.00 H new ATOM 1364 N PHE A 86 3.917 -7.677 -6.105 1.00 0.00 N ATOM 1365 CA PHE A 86 4.125 -7.236 -7.480 1.00 0.00 C ATOM 1366 C PHE A 86 4.767 -8.335 -8.317 1.00 0.00 C ATOM 1367 O PHE A 86 4.199 -8.792 -9.309 1.00 0.00 O ATOM 1368 CB PHE A 86 5.016 -5.991 -7.517 1.00 0.00 C ATOM 1369 CG PHE A 86 4.768 -5.030 -6.393 1.00 0.00 C ATOM 1370 CD1 PHE A 86 5.304 -5.264 -5.138 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.003 -3.892 -6.591 1.00 0.00 C ATOM 1372 CE1 PHE A 86 5.081 -4.381 -4.100 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.778 -3.005 -5.557 1.00 0.00 C ATOM 1374 CZ PHE A 86 4.319 -3.252 -4.310 1.00 0.00 C ATOM 0 H PHE A 86 4.766 -7.707 -5.540 1.00 0.00 H new ATOM 0 HA PHE A 86 3.148 -6.997 -7.899 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.060 -6.303 -7.491 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.861 -5.474 -8.464 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.903 -6.147 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.578 -3.697 -7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.503 -4.575 -3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.181 -2.121 -5.723 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.145 -2.560 -3.499 1.00 0.00 H new ATOM 1384 N GLY A 87 5.981 -8.720 -7.932 1.00 0.00 N ATOM 1385 CA GLY A 87 6.815 -9.534 -8.794 1.00 0.00 C ATOM 1386 C GLY A 87 7.983 -8.748 -9.356 1.00 0.00 C ATOM 1387 O GLY A 87 8.694 -9.222 -10.242 1.00 0.00 O ATOM 0 H GLY A 87 6.402 -8.481 -7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.190 -10.390 -8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.214 -9.928 -9.614 1.00 0.00 H new ATOM 1391 N VAL A 88 8.170 -7.535 -8.842 1.00 0.00 N ATOM 1392 CA VAL A 88 9.210 -6.639 -9.334 1.00 0.00 C ATOM 1393 C VAL A 88 10.574 -7.003 -8.752 1.00 0.00 C ATOM 1394 O VAL A 88 10.658 -7.616 -7.688 1.00 0.00 O ATOM 1395 CB VAL A 88 8.899 -5.172 -8.977 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.554 -4.753 -9.544 1.00 0.00 C ATOM 1397 CG2 VAL A 88 8.932 -4.967 -7.469 1.00 0.00 C ATOM 0 H VAL A 88 7.611 -7.150 -8.081 1.00 0.00 H new ATOM 0 HA VAL A 88 9.235 -6.752 -10.418 1.00 0.00 H new ATOM 0 HB VAL A 88 9.668 -4.543 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.355 -3.714 -9.280 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.569 -4.855 -10.629 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.771 -5.389 -9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.710 -3.925 -7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.188 -5.609 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.922 -5.220 -7.089 1.00 0.00 H new ATOM 1407 N PRO A 89 11.661 -6.575 -9.418 1.00 0.00 N ATOM 1408 CA PRO A 89 12.991 -6.549 -8.811 1.00 0.00 C ATOM 1409 C PRO A 89 13.139 -5.396 -7.824 1.00 0.00 C ATOM 1410 O PRO A 89 13.840 -5.509 -6.821 1.00 0.00 O ATOM 1411 CB PRO A 89 13.916 -6.352 -10.010 1.00 0.00 C ATOM 1412 CG PRO A 89 13.096 -5.591 -10.994 1.00 0.00 C ATOM 1413 CD PRO A 89 11.671 -6.042 -10.794 1.00 0.00 C ATOM 0 HA PRO A 89 13.206 -7.450 -8.236 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.814 -5.801 -9.732 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.243 -7.308 -10.420 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.191 -4.517 -10.832 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.428 -5.790 -12.013 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.970 -5.215 -10.908 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.387 -6.803 -11.520 1.00 0.00 H new ATOM 1421 N SER A 90 12.455 -4.294 -8.116 1.00 0.00 N ATOM 1422 CA SER A 90 12.437 -3.132 -7.231 1.00 0.00 C ATOM 1423 C SER A 90 11.171 -2.313 -7.455 1.00 0.00 C ATOM 1424 O SER A 90 10.720 -2.163 -8.591 1.00 0.00 O ATOM 1425 CB SER A 90 13.667 -2.258 -7.476 1.00 0.00 C ATOM 1426 OG SER A 90 13.764 -1.881 -8.838 1.00 0.00 O ATOM 0 H SER A 90 11.902 -4.180 -8.965 1.00 0.00 H new ATOM 0 HA SER A 90 12.452 -3.486 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.613 -1.366 -6.852 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.566 -2.799 -7.181 1.00 0.00 H new ATOM 0 HG SER A 90 14.558 -1.321 -8.967 1.00 0.00 H new ATOM 1432 N PHE A 91 10.599 -1.769 -6.380 1.00 0.00 N ATOM 1433 CA PHE A 91 9.432 -0.903 -6.517 1.00 0.00 C ATOM 1434 C PHE A 91 9.578 0.369 -5.691 1.00 0.00 C ATOM 1435 O PHE A 91 10.155 0.356 -4.605 1.00 0.00 O ATOM 1436 CB PHE A 91 8.146 -1.646 -6.135 1.00 0.00 C ATOM 1437 CG PHE A 91 8.002 -1.959 -4.669 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.434 -1.039 -3.800 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.411 -3.183 -4.163 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.277 -1.330 -2.461 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.262 -3.478 -2.821 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.692 -2.552 -1.968 1.00 0.00 C ATOM 0 H PHE A 91 10.919 -1.910 -5.422 1.00 0.00 H new ATOM 0 HA PHE A 91 9.365 -0.615 -7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.291 -1.046 -6.449 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.104 -2.580 -6.696 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.110 -0.080 -4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.851 -3.914 -4.825 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.830 -0.603 -1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.591 -4.433 -2.439 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.571 -2.783 -0.920 1.00 0.00 H new ATOM 1452 N SER A 92 9.065 1.473 -6.227 1.00 0.00 N ATOM 1453 CA SER A 92 9.233 2.777 -5.601 1.00 0.00 C ATOM 1454 C SER A 92 8.061 3.098 -4.683 1.00 0.00 C ATOM 1455 O SER A 92 6.960 3.398 -5.146 1.00 0.00 O ATOM 1456 CB SER A 92 9.376 3.864 -6.669 1.00 0.00 C ATOM 1457 OG SER A 92 10.512 3.635 -7.483 1.00 0.00 O ATOM 0 H SER A 92 8.529 1.488 -7.095 1.00 0.00 H new ATOM 0 HA SER A 92 10.141 2.748 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.480 3.889 -7.289 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.459 4.840 -6.190 1.00 0.00 H new ATOM 0 HG SER A 92 10.579 4.343 -8.158 1.00 0.00 H new ATOM 1463 N VAL A 93 8.308 3.037 -3.380 1.00 0.00 N ATOM 1464 CA VAL A 93 7.286 3.354 -2.391 1.00 0.00 C ATOM 1465 C VAL A 93 6.988 4.850 -2.373 1.00 0.00 C ATOM 1466 O VAL A 93 5.866 5.265 -2.086 1.00 0.00 O ATOM 1467 CB VAL A 93 7.714 2.904 -0.980 1.00 0.00 C ATOM 1468 CG1 VAL A 93 8.937 3.680 -0.520 1.00 0.00 C ATOM 1469 CG2 VAL A 93 6.566 3.062 0.006 1.00 0.00 C ATOM 0 H VAL A 93 9.209 2.770 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 93 6.385 2.812 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 93 7.979 1.848 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.224 3.349 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.761 3.504 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.704 4.745 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.889 2.739 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.263 4.108 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.722 2.452 -0.317 1.00 0.00 H new ATOM 1479 N LYS A 94 7.998 5.654 -2.697 1.00 0.00 N ATOM 1480 CA LYS A 94 7.821 7.099 -2.805 1.00 0.00 C ATOM 1481 C LYS A 94 6.702 7.431 -3.784 1.00 0.00 C ATOM 1482 O LYS A 94 5.942 8.377 -3.580 1.00 0.00 O ATOM 1483 CB LYS A 94 9.121 7.764 -3.251 1.00 0.00 C ATOM 1484 CG LYS A 94 9.609 7.278 -4.602 1.00 0.00 C ATOM 1485 CD LYS A 94 10.855 8.024 -5.049 1.00 0.00 C ATOM 1486 CE LYS A 94 11.340 7.538 -6.405 1.00 0.00 C ATOM 1487 NZ LYS A 94 12.566 8.256 -6.847 1.00 0.00 N ATOM 0 H LYS A 94 8.946 5.330 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 94 7.549 7.483 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.974 8.843 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.892 7.576 -2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.823 6.210 -4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.820 7.409 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.642 9.092 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.645 7.890 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.544 6.468 -6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.551 7.678 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.864 7.895 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.365 9.274 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.327 8.102 -6.155 1.00 0.00 H new ATOM 1501 N GLU A 95 6.595 6.626 -4.835 1.00 0.00 N ATOM 1502 CA GLU A 95 5.486 6.735 -5.775 1.00 0.00 C ATOM 1503 C GLU A 95 4.276 5.958 -5.267 1.00 0.00 C ATOM 1504 O GLU A 95 3.892 4.944 -5.846 1.00 0.00 O ATOM 1505 CB GLU A 95 5.906 6.209 -7.150 1.00 0.00 C ATOM 1506 CG GLU A 95 7.108 6.932 -7.738 1.00 0.00 C ATOM 1507 CD GLU A 95 6.856 8.412 -7.944 1.00 0.00 C ATOM 1508 OE1 GLU A 95 6.383 8.788 -9.037 1.00 0.00 O ATOM 1509 OE2 GLU A 95 7.131 9.197 -7.012 1.00 0.00 O ATOM 0 H GLU A 95 7.264 5.889 -5.058 1.00 0.00 H new ATOM 0 HA GLU A 95 5.212 7.786 -5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.136 5.147 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.065 6.301 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.965 6.802 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.370 6.476 -8.693 1.00 0.00 H new ATOM 1516 N HIS A 96 3.698 6.428 -4.166 1.00 0.00 N ATOM 1517 CA HIS A 96 2.616 5.707 -3.504 1.00 0.00 C ATOM 1518 C HIS A 96 1.442 5.485 -4.452 1.00 0.00 C ATOM 1519 O HIS A 96 0.742 4.475 -4.362 1.00 0.00 O ATOM 1520 CB HIS A 96 2.148 6.468 -2.262 1.00 0.00 C ATOM 1521 CG HIS A 96 3.217 6.651 -1.232 1.00 0.00 C ATOM 1522 ND1 HIS A 96 4.100 7.710 -1.242 1.00 0.00 N ATOM 1523 CD2 HIS A 96 3.542 5.904 -0.149 1.00 0.00 C ATOM 1524 CE1 HIS A 96 4.922 7.608 -0.214 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.606 6.521 0.467 1.00 0.00 N ATOM 0 H HIS A 96 3.960 7.304 -3.714 1.00 0.00 H new ATOM 0 HA HIS A 96 3.000 4.733 -3.201 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.776 7.447 -2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.311 5.934 -1.813 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.056 4.994 0.171 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.718 8.296 0.029 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.074 6.193 1.312 1.00 0.00 H new ATOM 1534 N ARG A 97 1.242 6.427 -5.366 1.00 0.00 N ATOM 1535 CA ARG A 97 0.202 6.299 -6.381 1.00 0.00 C ATOM 1536 C ARG A 97 0.372 5.004 -7.171 1.00 0.00 C ATOM 1537 O ARG A 97 -0.479 4.117 -7.116 1.00 0.00 O ATOM 1538 CB ARG A 97 0.246 7.498 -7.333 1.00 0.00 C ATOM 1539 CG ARG A 97 -0.685 7.366 -8.528 1.00 0.00 C ATOM 1540 CD ARG A 97 -0.558 8.554 -9.467 1.00 0.00 C ATOM 1541 NE ARG A 97 -1.434 8.430 -10.629 1.00 0.00 N ATOM 1542 CZ ARG A 97 -1.325 9.183 -11.719 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -0.381 10.114 -11.795 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -2.160 9.008 -12.733 1.00 0.00 N ATOM 0 H ARG A 97 1.786 7.288 -5.426 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.765 6.274 -5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.014 8.400 -6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.267 7.628 -7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.457 6.448 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.715 7.284 -8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.799 9.470 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.476 8.643 -9.800 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.171 7.726 -10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.263 10.253 -11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.299 10.690 -12.633 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.887 8.295 -12.678 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.075 9.586 -13.569 1.00 0.00 H new ATOM 1558 N LYS A 98 1.469 4.912 -7.917 1.00 0.00 N ATOM 1559 CA LYS A 98 1.697 3.782 -8.810 1.00 0.00 C ATOM 1560 C LYS A 98 1.969 2.505 -8.026 1.00 0.00 C ATOM 1561 O LYS A 98 1.605 1.412 -8.457 1.00 0.00 O ATOM 1562 CB LYS A 98 2.869 4.077 -9.749 1.00 0.00 C ATOM 1563 CG LYS A 98 3.129 2.975 -10.764 1.00 0.00 C ATOM 1564 CD LYS A 98 4.302 3.315 -11.667 1.00 0.00 C ATOM 1565 CE LYS A 98 4.570 2.209 -12.674 1.00 0.00 C ATOM 1566 NZ LYS A 98 4.899 0.918 -12.009 1.00 0.00 N ATOM 0 H LYS A 98 2.215 5.608 -7.920 1.00 0.00 H new ATOM 0 HA LYS A 98 0.792 3.634 -9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.673 5.009 -10.279 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.770 4.232 -9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.329 2.039 -10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.236 2.818 -11.369 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.098 4.247 -12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.193 3.480 -11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.694 2.077 -13.309 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.394 2.502 -13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.270 0.249 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.616 1.079 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.041 0.522 -11.575 1.00 0.00 H new ATOM 1580 N ILE A 99 2.622 2.649 -6.880 1.00 0.00 N ATOM 1581 CA ILE A 99 3.022 1.497 -6.079 1.00 0.00 C ATOM 1582 C ILE A 99 1.796 0.738 -5.580 1.00 0.00 C ATOM 1583 O ILE A 99 1.828 -0.483 -5.428 1.00 0.00 O ATOM 1584 CB ILE A 99 3.923 1.919 -4.891 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.808 0.754 -4.449 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.105 2.429 -3.716 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.143 -0.180 -3.459 1.00 0.00 C ATOM 0 H ILE A 99 2.886 3.551 -6.484 1.00 0.00 H new ATOM 0 HA ILE A 99 3.605 0.834 -6.719 1.00 0.00 H new ATOM 0 HB ILE A 99 4.555 2.737 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.106 0.183 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.719 1.152 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.774 2.715 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.522 3.295 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.432 1.643 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.834 -0.980 -3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.869 0.376 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.247 -0.608 -3.908 1.00 0.00 H new ATOM 1599 N TYR A 100 0.703 1.462 -5.371 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.566 0.839 -5.021 1.00 0.00 C ATOM 1601 C TYR A 100 -1.434 0.617 -6.254 1.00 0.00 C ATOM 1602 O TYR A 100 -2.403 -0.140 -6.211 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.309 1.692 -3.994 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.730 1.563 -2.606 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.418 0.813 -2.388 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -1.327 2.178 -1.517 1.00 0.00 C ATOM 1607 CE1 TYR A 100 0.954 0.680 -1.130 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.794 2.052 -0.249 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.348 1.300 -0.061 1.00 0.00 C ATOM 1610 OH TYR A 100 0.883 1.169 1.199 1.00 0.00 O ATOM 0 H TYR A 100 0.671 2.479 -5.438 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.352 -0.136 -4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.275 2.737 -4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.359 1.399 -3.975 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.899 0.325 -3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.222 2.764 -1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.847 0.091 -0.981 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.268 2.539 0.590 1.00 0.00 H new ATOM 0 HH TYR A 100 0.337 0.546 1.723 1.00 0.00 H new ATOM 1620 N THR A 101 -1.062 1.250 -7.361 1.00 0.00 N ATOM 1621 CA THR A 101 -1.684 0.953 -8.644 1.00 0.00 C ATOM 1622 C THR A 101 -1.284 -0.441 -9.116 1.00 0.00 C ATOM 1623 O THR A 101 -2.029 -1.103 -9.838 1.00 0.00 O ATOM 1624 CB THR A 101 -1.292 1.988 -9.718 1.00 0.00 C ATOM 1625 OG1 THR A 101 -1.689 3.299 -9.302 1.00 0.00 O ATOM 1626 CG2 THR A 101 -1.945 1.660 -11.053 1.00 0.00 C ATOM 0 H THR A 101 -0.338 1.967 -7.395 1.00 0.00 H new ATOM 0 HA THR A 101 -2.764 0.998 -8.501 1.00 0.00 H new ATOM 0 HB THR A 101 -0.210 1.955 -9.842 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.194 3.550 -8.494 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.653 2.405 -11.794 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.621 0.673 -11.384 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.029 1.667 -10.939 1.00 0.00 H new ATOM 1634 N MET A 102 -0.114 -0.890 -8.672 1.00 0.00 N ATOM 1635 CA MET A 102 0.316 -2.262 -8.904 1.00 0.00 C ATOM 1636 C MET A 102 -0.233 -3.181 -7.823 1.00 0.00 C ATOM 1637 O MET A 102 -0.629 -4.312 -8.099 1.00 0.00 O ATOM 1638 CB MET A 102 1.842 -2.344 -8.925 1.00 0.00 C ATOM 1639 CG MET A 102 2.489 -1.259 -9.764 1.00 0.00 C ATOM 1640 SD MET A 102 4.290 -1.335 -9.741 1.00 0.00 S ATOM 1641 CE MET A 102 4.630 -0.801 -8.066 1.00 0.00 C ATOM 0 H MET A 102 0.553 -0.322 -8.149 1.00 0.00 H new ATOM 0 HA MET A 102 -0.071 -2.583 -9.871 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.217 -2.276 -7.904 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.141 -3.319 -9.310 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.140 -1.346 -10.793 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.167 -0.284 -9.399 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.086 0.189 -8.085 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.699 -0.760 -7.501 1.00 0.00 H new ATOM 0 HE3 MET A 102 5.312 -1.506 -7.591 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.268 -2.679 -6.591 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.842 -3.428 -5.483 1.00 0.00 C ATOM 1653 C ILE A 103 -2.273 -3.857 -5.795 1.00 0.00 C ATOM 1654 O ILE A 103 -2.664 -4.994 -5.522 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.828 -2.608 -4.174 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.594 -2.517 -3.615 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.769 -3.219 -3.142 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.176 -3.854 -3.212 1.00 0.00 C ATOM 0 H ILE A 103 0.094 -1.759 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.223 -4.314 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.178 -1.600 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.241 -2.060 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.593 -1.855 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.743 -2.625 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.785 -3.231 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.454 -4.239 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.185 -3.710 -2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.552 -4.304 -2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.211 -4.512 -4.080 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.053 -2.939 -6.356 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.456 -3.206 -6.657 1.00 0.00 C ATOM 1672 C TYR A 104 -4.678 -3.331 -8.160 1.00 0.00 C ATOM 1673 O TYR A 104 -3.774 -3.073 -8.955 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.342 -2.094 -6.091 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.191 -1.892 -4.601 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -5.865 -2.704 -3.699 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -4.375 -0.887 -4.097 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -5.731 -2.521 -2.334 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -4.234 -0.698 -2.736 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.915 -1.517 -1.859 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.778 -1.331 -0.502 1.00 0.00 O ATOM 0 H TYR A 104 -2.738 -2.003 -6.612 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.727 -4.152 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.106 -1.160 -6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.384 -2.324 -6.313 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.505 -3.492 -4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.842 -0.243 -4.781 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.262 -3.161 -1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.594 0.087 -2.360 1.00 0.00 H new ATOM 0 HH TYR A 104 -5.489 -1.815 -0.032 1.00 0.00 H new