USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 756 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 87 SER OG : rot -83:sc= 0.147 USER MOD Set 1.2: A 88 CYS SG : rot 76:sc= 1.3 USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.782 K(o=0.78,f=0) USER MOD Single : A 24 MET CE :methyl -117:sc=-0.00475 (180deg=-0.293) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -140:sc= -1.44 (180deg=-6.67!) USER MOD Single : A 31 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.11) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -143:sc= -0.743 (180deg=-2.53!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 52 GLN : amide:sc= -1.09 K(o=-1.1,f=-4.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.011) USER MOD Single : A 72 THR OG1 : rot -87:sc= 0.585 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 170:sc= -0.76 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -165:sc= 0.171 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -169:sc= 0.63 (180deg=0.583) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -132:sc= -0.414 (180deg=-2.45!) USER MOD Single : A 123 GLN : amide:sc= -0.0271 X(o=-0.027,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 296 N ARG A 22 -10.323 26.825 -19.684 1.00 0.00 N ATOM 297 CA ARG A 22 -11.729 26.851 -19.259 1.00 0.00 C ATOM 298 C ARG A 22 -11.866 26.501 -17.752 1.00 0.00 C ATOM 299 O ARG A 22 -10.982 25.839 -17.188 1.00 0.00 O ATOM 300 CB ARG A 22 -12.524 25.834 -20.131 1.00 0.00 C ATOM 301 CG ARG A 22 -12.384 26.069 -21.655 1.00 0.00 C ATOM 302 CD ARG A 22 -13.119 25.018 -22.504 1.00 0.00 C ATOM 303 NE ARG A 22 -12.919 25.253 -23.952 1.00 0.00 N ATOM 304 CZ ARG A 22 -12.233 24.455 -24.789 1.00 0.00 C ATOM 305 NH1 ARG A 22 -11.611 23.375 -24.339 1.00 0.00 N ATOM 306 NH2 ARG A 22 -12.161 24.755 -26.077 1.00 0.00 N ATOM 0 HA ARG A 22 -12.131 27.855 -19.395 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.184 24.825 -19.896 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.579 25.886 -19.861 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.771 27.058 -21.900 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.327 26.065 -21.920 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.760 24.022 -22.243 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.184 25.043 -22.274 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.338 26.094 -24.349 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.649 23.141 -23.347 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.094 22.778 -24.985 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.626 25.590 -26.433 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.641 24.151 -26.713 1.00 0.00 H new ATOM 320 N PRO A 23 -12.959 26.985 -17.067 1.00 0.00 N ATOM 321 CA PRO A 23 -13.390 26.459 -15.741 1.00 0.00 C ATOM 322 C PRO A 23 -13.541 24.919 -15.752 1.00 0.00 C ATOM 323 O PRO A 23 -13.903 24.342 -16.790 1.00 0.00 O ATOM 324 CB PRO A 23 -14.778 27.134 -15.542 1.00 0.00 C ATOM 325 CG PRO A 23 -14.661 28.432 -16.284 1.00 0.00 C ATOM 326 CD PRO A 23 -13.840 28.111 -17.514 1.00 0.00 C ATOM 0 HA PRO A 23 -12.670 26.673 -14.951 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -15.583 26.517 -15.942 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.995 27.296 -14.486 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -15.643 28.821 -16.556 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.175 29.193 -15.673 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.472 27.817 -18.352 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.256 28.971 -17.842 1.00 0.00 H new ATOM 334 N MET A 24 -13.257 24.265 -14.602 1.00 0.00 N ATOM 335 CA MET A 24 -13.546 22.822 -14.407 1.00 0.00 C ATOM 336 C MET A 24 -15.061 22.567 -14.578 1.00 0.00 C ATOM 337 O MET A 24 -15.866 23.499 -14.422 1.00 0.00 O ATOM 338 CB MET A 24 -13.044 22.338 -13.011 1.00 0.00 C ATOM 339 CG MET A 24 -11.511 22.235 -12.870 1.00 0.00 C ATOM 340 SD MET A 24 -10.642 23.802 -13.151 1.00 0.00 S ATOM 341 CE MET A 24 -11.134 24.775 -11.729 1.00 0.00 C ATOM 0 H MET A 24 -12.827 24.713 -13.793 1.00 0.00 H new ATOM 0 HA MET A 24 -13.010 22.247 -15.162 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.419 23.022 -12.250 1.00 0.00 H new ATOM 0 HB3 MET A 24 -13.480 21.361 -12.804 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.271 21.872 -11.871 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.140 21.493 -13.577 1.00 0.00 H new ATOM 0 HE1 MET A 24 -11.699 25.646 -12.062 1.00 0.00 H new ATOM 0 HE2 MET A 24 -11.757 24.169 -11.071 1.00 0.00 H new ATOM 0 HE3 MET A 24 -10.246 25.103 -11.188 1.00 0.00 H new ATOM 351 N SER A 25 -15.426 21.307 -14.886 1.00 0.00 N ATOM 352 CA SER A 25 -16.783 20.941 -15.331 1.00 0.00 C ATOM 353 C SER A 25 -17.871 21.390 -14.331 1.00 0.00 C ATOM 354 O SER A 25 -17.683 21.319 -13.109 1.00 0.00 O ATOM 355 CB SER A 25 -16.873 19.415 -15.580 1.00 0.00 C ATOM 356 OG SER A 25 -15.848 18.970 -16.464 1.00 0.00 O ATOM 0 H SER A 25 -14.787 20.514 -14.833 1.00 0.00 H new ATOM 0 HA SER A 25 -16.970 21.470 -16.266 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.792 18.885 -14.631 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.849 19.170 -16.000 1.00 0.00 H new ATOM 0 HG SER A 25 -15.930 18.003 -16.600 1.00 0.00 H new ATOM 362 N TYR A 26 -19.006 21.853 -14.891 1.00 0.00 N ATOM 363 CA TYR A 26 -20.173 22.351 -14.126 1.00 0.00 C ATOM 364 C TYR A 26 -20.782 21.244 -13.244 1.00 0.00 C ATOM 365 O TYR A 26 -21.537 21.527 -12.322 1.00 0.00 O ATOM 366 CB TYR A 26 -21.228 22.953 -15.092 1.00 0.00 C ATOM 367 CG TYR A 26 -20.656 24.063 -15.994 1.00 0.00 C ATOM 368 CD1 TYR A 26 -20.509 25.374 -15.534 1.00 0.00 C ATOM 369 CD2 TYR A 26 -20.256 23.794 -17.308 1.00 0.00 C ATOM 370 CE1 TYR A 26 -19.974 26.359 -16.339 1.00 0.00 C ATOM 371 CE2 TYR A 26 -19.723 24.780 -18.112 1.00 0.00 C ATOM 372 CZ TYR A 26 -19.596 26.060 -17.627 1.00 0.00 C ATOM 373 OH TYR A 26 -19.066 27.044 -18.427 1.00 0.00 O ATOM 0 H TYR A 26 -19.143 21.893 -15.901 1.00 0.00 H new ATOM 0 HA TYR A 26 -19.833 23.140 -13.456 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -21.635 22.158 -15.717 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -22.057 23.357 -14.510 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.820 25.621 -14.530 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -20.367 22.794 -17.700 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.852 27.362 -15.958 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.407 24.547 -19.118 1.00 0.00 H new ATOM 0 HH TYR A 26 -18.850 26.669 -19.306 1.00 0.00 H new ATOM 383 N ASP A 27 -20.454 19.984 -13.594 1.00 0.00 N ATOM 384 CA ASP A 27 -20.706 18.790 -12.768 1.00 0.00 C ATOM 385 C ASP A 27 -20.181 19.020 -11.332 1.00 0.00 C ATOM 386 O ASP A 27 -20.953 18.957 -10.364 1.00 0.00 O ATOM 387 CB ASP A 27 -19.998 17.550 -13.400 1.00 0.00 C ATOM 388 CG ASP A 27 -20.412 17.262 -14.858 1.00 0.00 C ATOM 389 OD1 ASP A 27 -20.051 18.056 -15.754 1.00 0.00 O ATOM 390 OD2 ASP A 27 -21.094 16.245 -15.117 1.00 0.00 O ATOM 0 H ASP A 27 -19.996 19.765 -14.479 1.00 0.00 H new ATOM 0 HA ASP A 27 -21.780 18.606 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.919 17.704 -13.364 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -20.216 16.672 -12.792 1.00 0.00 H new ATOM 395 N GLU A 28 -18.864 19.351 -11.222 1.00 0.00 N ATOM 396 CA GLU A 28 -18.239 19.677 -9.931 1.00 0.00 C ATOM 397 C GLU A 28 -18.903 20.906 -9.323 1.00 0.00 C ATOM 398 O GLU A 28 -19.327 20.843 -8.211 1.00 0.00 O ATOM 399 CB GLU A 28 -16.704 19.942 -10.005 1.00 0.00 C ATOM 400 CG GLU A 28 -15.823 18.779 -10.499 1.00 0.00 C ATOM 401 CD GLU A 28 -15.799 18.651 -12.019 1.00 0.00 C ATOM 402 OE1 GLU A 28 -14.991 19.359 -12.662 1.00 0.00 O ATOM 403 OE2 GLU A 28 -16.589 17.863 -12.577 1.00 0.00 O ATOM 0 H GLU A 28 -18.226 19.396 -12.016 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.384 18.791 -9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -16.538 20.797 -10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -16.360 20.231 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.805 18.922 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.187 17.847 -10.067 1.00 0.00 H new ATOM 410 N LYS A 29 -19.034 21.990 -10.117 1.00 0.00 N ATOM 411 CA LYS A 29 -19.486 23.334 -9.643 1.00 0.00 C ATOM 412 C LYS A 29 -20.872 23.291 -8.953 1.00 0.00 C ATOM 413 O LYS A 29 -21.034 23.798 -7.837 1.00 0.00 O ATOM 414 CB LYS A 29 -19.468 24.345 -10.838 1.00 0.00 C ATOM 415 CG LYS A 29 -18.119 25.056 -11.161 1.00 0.00 C ATOM 416 CD LYS A 29 -16.920 24.104 -11.418 1.00 0.00 C ATOM 417 CE LYS A 29 -16.118 23.759 -10.149 1.00 0.00 C ATOM 418 NZ LYS A 29 -15.036 22.780 -10.415 1.00 0.00 N ATOM 0 H LYS A 29 -18.829 21.966 -11.116 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.786 23.672 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.790 23.813 -11.733 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.214 25.114 -10.639 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.259 25.685 -12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.867 25.718 -10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.290 23.181 -11.865 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.251 24.565 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.686 24.671 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.793 23.355 -9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.983 22.100 -9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.237 22.273 -11.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.128 23.281 -10.501 1.00 0.00 H new ATOM 432 N ARG A 30 -21.846 22.655 -9.609 1.00 0.00 N ATOM 433 CA ARG A 30 -23.221 22.525 -9.090 1.00 0.00 C ATOM 434 C ARG A 30 -23.239 21.661 -7.817 1.00 0.00 C ATOM 435 O ARG A 30 -23.957 21.969 -6.863 1.00 0.00 O ATOM 436 CB ARG A 30 -24.146 21.944 -10.190 1.00 0.00 C ATOM 437 CG ARG A 30 -24.300 22.883 -11.419 1.00 0.00 C ATOM 438 CD ARG A 30 -25.114 22.259 -12.565 1.00 0.00 C ATOM 439 NE ARG A 30 -25.297 23.213 -13.676 1.00 0.00 N ATOM 440 CZ ARG A 30 -26.199 23.106 -14.672 1.00 0.00 C ATOM 441 NH1 ARG A 30 -26.959 22.030 -14.796 1.00 0.00 N ATOM 442 NH2 ARG A 30 -26.307 24.069 -15.570 1.00 0.00 N ATOM 0 H ARG A 30 -21.709 22.213 -10.518 1.00 0.00 H new ATOM 0 HA ARG A 30 -23.597 23.511 -8.818 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -23.748 20.985 -10.521 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.130 21.750 -9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -24.782 23.808 -11.102 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -23.310 23.150 -11.789 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -24.606 21.366 -12.930 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -26.088 21.942 -12.191 1.00 0.00 H new ATOM 0 HE ARG A 30 -24.685 24.028 -13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.868 21.262 -14.131 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -27.636 21.968 -15.557 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -25.708 24.892 -15.509 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -26.989 23.989 -16.324 1.00 0.00 H new ATOM 456 N GLN A 31 -22.417 20.595 -7.804 1.00 0.00 N ATOM 457 CA GLN A 31 -22.242 19.749 -6.602 1.00 0.00 C ATOM 458 C GLN A 31 -21.349 20.439 -5.546 1.00 0.00 C ATOM 459 O GLN A 31 -21.473 20.148 -4.363 1.00 0.00 O ATOM 460 CB GLN A 31 -21.659 18.356 -7.008 1.00 0.00 C ATOM 461 CG GLN A 31 -22.711 17.307 -7.454 1.00 0.00 C ATOM 462 CD GLN A 31 -23.687 17.812 -8.523 1.00 0.00 C ATOM 463 OE1 GLN A 31 -24.753 18.348 -8.200 1.00 0.00 O ATOM 464 NE2 GLN A 31 -23.339 17.657 -9.789 1.00 0.00 N ATOM 0 H GLN A 31 -21.864 20.297 -8.608 1.00 0.00 H new ATOM 0 HA GLN A 31 -23.220 19.600 -6.145 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -20.946 18.501 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -21.102 17.952 -6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -22.192 16.429 -7.838 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -23.280 16.985 -6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.452 17.211 -10.023 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -23.957 17.984 -10.532 1.00 0.00 H new ATOM 473 N LEU A 32 -20.501 21.389 -5.984 1.00 0.00 N ATOM 474 CA LEU A 32 -19.476 22.036 -5.134 1.00 0.00 C ATOM 475 C LEU A 32 -20.134 22.984 -4.143 1.00 0.00 C ATOM 476 O LEU A 32 -19.646 23.155 -3.022 1.00 0.00 O ATOM 477 CB LEU A 32 -18.427 22.792 -6.001 1.00 0.00 C ATOM 478 CG LEU A 32 -17.219 23.427 -5.245 1.00 0.00 C ATOM 479 CD1 LEU A 32 -16.468 22.367 -4.416 1.00 0.00 C ATOM 480 CD2 LEU A 32 -16.263 24.149 -6.228 1.00 0.00 C ATOM 0 H LEU A 32 -20.506 21.733 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.953 21.258 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.036 22.097 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -18.942 23.584 -6.545 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.611 24.174 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.631 22.836 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.147 21.929 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.094 21.585 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.430 24.582 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.881 23.433 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.804 24.940 -6.747 1.00 0.00 H new ATOM 492 N SER A 33 -21.257 23.582 -4.569 1.00 0.00 N ATOM 493 CA SER A 33 -22.120 24.358 -3.681 1.00 0.00 C ATOM 494 C SER A 33 -22.572 23.467 -2.505 1.00 0.00 C ATOM 495 O SER A 33 -22.460 23.871 -1.363 1.00 0.00 O ATOM 496 CB SER A 33 -23.336 24.922 -4.454 1.00 0.00 C ATOM 497 OG SER A 33 -24.110 25.792 -3.638 1.00 0.00 O ATOM 0 H SER A 33 -21.586 23.539 -5.533 1.00 0.00 H new ATOM 0 HA SER A 33 -21.562 25.208 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 33 -22.990 25.460 -5.337 1.00 0.00 H new ATOM 0 HB3 SER A 33 -23.959 24.100 -4.805 1.00 0.00 H new ATOM 0 HG SER A 33 -24.870 26.134 -4.153 1.00 0.00 H new ATOM 503 N LEU A 34 -22.986 22.217 -2.818 1.00 0.00 N ATOM 504 CA LEU A 34 -23.423 21.217 -1.814 1.00 0.00 C ATOM 505 C LEU A 34 -22.249 20.765 -0.920 1.00 0.00 C ATOM 506 O LEU A 34 -22.448 20.511 0.264 1.00 0.00 O ATOM 507 CB LEU A 34 -24.054 19.983 -2.512 1.00 0.00 C ATOM 508 CG LEU A 34 -25.313 20.255 -3.394 1.00 0.00 C ATOM 509 CD1 LEU A 34 -25.775 18.968 -4.128 1.00 0.00 C ATOM 510 CD2 LEU A 34 -26.461 20.874 -2.555 1.00 0.00 C ATOM 0 H LEU A 34 -23.027 21.872 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 34 -24.172 21.694 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -23.292 19.517 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -24.324 19.257 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 34 -25.034 20.983 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -26.653 19.190 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -24.972 18.608 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -26.024 18.201 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -27.325 21.053 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -26.738 20.187 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -26.128 21.818 -2.123 1.00 0.00 H new ATOM 522 N ASP A 35 -21.034 20.667 -1.511 1.00 0.00 N ATOM 523 CA ASP A 35 -19.809 20.268 -0.777 1.00 0.00 C ATOM 524 C ASP A 35 -19.407 21.330 0.247 1.00 0.00 C ATOM 525 O ASP A 35 -18.879 20.999 1.302 1.00 0.00 O ATOM 526 CB ASP A 35 -18.621 19.969 -1.736 1.00 0.00 C ATOM 527 CG ASP A 35 -18.799 18.648 -2.502 1.00 0.00 C ATOM 528 OD1 ASP A 35 -19.096 18.672 -3.714 1.00 0.00 O ATOM 529 OD2 ASP A 35 -18.667 17.569 -1.877 1.00 0.00 O ATOM 0 H ASP A 35 -20.876 20.860 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.049 19.345 -0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.519 20.787 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.696 19.930 -1.161 1.00 0.00 H new ATOM 534 N ILE A 36 -19.645 22.602 -0.082 1.00 0.00 N ATOM 535 CA ILE A 36 -19.406 23.724 0.840 1.00 0.00 C ATOM 536 C ILE A 36 -20.593 23.864 1.826 1.00 0.00 C ATOM 537 O ILE A 36 -20.402 24.193 2.996 1.00 0.00 O ATOM 538 CB ILE A 36 -19.151 25.049 0.024 1.00 0.00 C ATOM 539 CG1 ILE A 36 -17.893 24.860 -0.908 1.00 0.00 C ATOM 540 CG2 ILE A 36 -18.985 26.289 0.952 1.00 0.00 C ATOM 541 CD1 ILE A 36 -17.609 26.001 -1.874 1.00 0.00 C ATOM 0 H ILE A 36 -20.008 22.887 -0.992 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.512 23.528 1.432 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.028 25.243 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.016 24.715 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.026 23.945 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.811 27.177 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.891 26.425 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.137 26.134 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.724 25.766 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -18.463 26.137 -2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.437 26.919 -1.312 1.00 0.00 H new ATOM 553 N ASN A 37 -21.813 23.562 1.340 1.00 0.00 N ATOM 554 CA ASN A 37 -23.068 23.667 2.137 1.00 0.00 C ATOM 555 C ASN A 37 -23.157 22.568 3.221 1.00 0.00 C ATOM 556 O ASN A 37 -23.860 22.749 4.214 1.00 0.00 O ATOM 557 CB ASN A 37 -24.337 23.625 1.206 1.00 0.00 C ATOM 558 CG ASN A 37 -24.903 25.014 0.844 1.00 0.00 C ATOM 559 OD1 ASN A 37 -25.732 25.548 1.573 1.00 0.00 O ATOM 560 ND2 ASN A 37 -24.485 25.604 -0.266 1.00 0.00 N ATOM 0 H ASN A 37 -21.964 23.238 0.385 1.00 0.00 H new ATOM 0 HA ASN A 37 -23.042 24.631 2.644 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -24.082 23.098 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -25.117 23.045 1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -24.853 26.519 -0.527 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -23.795 25.144 -0.859 1.00 0.00 H new ATOM 567 N LYS A 38 -22.460 21.433 3.010 1.00 0.00 N ATOM 568 CA LYS A 38 -22.477 20.286 3.955 1.00 0.00 C ATOM 569 C LYS A 38 -21.447 20.478 5.081 1.00 0.00 C ATOM 570 O LYS A 38 -21.607 19.911 6.172 1.00 0.00 O ATOM 571 CB LYS A 38 -22.223 18.948 3.207 1.00 0.00 C ATOM 572 CG LYS A 38 -20.790 18.775 2.641 1.00 0.00 C ATOM 573 CD LYS A 38 -20.638 17.524 1.745 1.00 0.00 C ATOM 574 CE LYS A 38 -20.934 16.213 2.484 1.00 0.00 C ATOM 575 NZ LYS A 38 -20.921 15.047 1.565 1.00 0.00 N ATOM 0 H LYS A 38 -21.873 21.281 2.190 1.00 0.00 H new ATOM 0 HA LYS A 38 -23.468 20.244 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.430 18.123 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.934 18.868 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.524 19.661 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.084 18.709 3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.310 17.612 0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.623 17.489 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.194 16.064 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.907 16.282 2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.125 14.180 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.644 15.177 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.985 14.966 1.120 1.00 0.00 H new ATOM 589 N LEU A 39 -20.397 21.287 4.812 1.00 0.00 N ATOM 590 CA LEU A 39 -19.346 21.601 5.800 1.00 0.00 C ATOM 591 C LEU A 39 -19.954 22.383 6.993 1.00 0.00 C ATOM 592 O LEU A 39 -20.939 23.105 6.802 1.00 0.00 O ATOM 593 CB LEU A 39 -18.195 22.413 5.134 1.00 0.00 C ATOM 594 CG LEU A 39 -17.384 21.678 4.024 1.00 0.00 C ATOM 595 CD1 LEU A 39 -16.334 22.618 3.371 1.00 0.00 C ATOM 596 CD2 LEU A 39 -16.725 20.380 4.567 1.00 0.00 C ATOM 0 H LEU A 39 -20.257 21.737 3.908 1.00 0.00 H new ATOM 0 HA LEU A 39 -18.927 20.668 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -18.620 23.319 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -17.501 22.726 5.914 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.088 21.385 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.787 22.073 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.840 23.472 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.637 22.970 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.168 19.893 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.046 20.630 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.498 19.705 4.933 1.00 0.00 H new ATOM 608 N PRO A 40 -19.405 22.228 8.242 1.00 0.00 N ATOM 609 CA PRO A 40 -19.897 22.960 9.442 1.00 0.00 C ATOM 610 C PRO A 40 -19.880 24.490 9.248 1.00 0.00 C ATOM 611 O PRO A 40 -18.921 25.037 8.687 1.00 0.00 O ATOM 612 CB PRO A 40 -18.920 22.528 10.566 1.00 0.00 C ATOM 613 CG PRO A 40 -18.389 21.201 10.107 1.00 0.00 C ATOM 614 CD PRO A 40 -18.288 21.308 8.600 1.00 0.00 C ATOM 0 HA PRO A 40 -20.937 22.722 9.663 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.117 23.254 10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.430 22.442 11.525 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.416 20.992 10.552 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -19.055 20.389 10.400 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -17.323 21.708 8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -18.399 20.336 8.120 1.00 0.00 H new ATOM 622 N GLY A 41 -20.945 25.150 9.737 1.00 0.00 N ATOM 623 CA GLY A 41 -21.173 26.589 9.559 1.00 0.00 C ATOM 624 C GLY A 41 -20.040 27.468 10.072 1.00 0.00 C ATOM 625 O GLY A 41 -19.786 28.546 9.507 1.00 0.00 O ATOM 0 H GLY A 41 -21.680 24.689 10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -21.325 26.793 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -22.094 26.866 10.072 1.00 0.00 H new ATOM 629 N GLU A 42 -19.370 27.009 11.150 1.00 0.00 N ATOM 630 CA GLU A 42 -18.187 27.682 11.731 1.00 0.00 C ATOM 631 C GLU A 42 -17.066 27.858 10.685 1.00 0.00 C ATOM 632 O GLU A 42 -16.360 28.865 10.689 1.00 0.00 O ATOM 633 CB GLU A 42 -17.693 26.913 13.012 1.00 0.00 C ATOM 634 CG GLU A 42 -17.360 25.396 12.860 1.00 0.00 C ATOM 635 CD GLU A 42 -16.028 25.074 12.139 1.00 0.00 C ATOM 636 OE1 GLU A 42 -15.037 25.812 12.332 1.00 0.00 O ATOM 637 OE2 GLU A 42 -15.961 24.079 11.387 1.00 0.00 O ATOM 0 H GLU A 42 -19.635 26.157 11.645 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.478 28.685 12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -16.801 27.417 13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -18.459 27.013 13.781 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -17.333 24.947 13.853 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -18.173 24.916 12.315 1.00 0.00 H new ATOM 644 N LYS A 43 -16.953 26.872 9.774 1.00 0.00 N ATOM 645 CA LYS A 43 -15.952 26.866 8.704 1.00 0.00 C ATOM 646 C LYS A 43 -16.435 27.705 7.516 1.00 0.00 C ATOM 647 O LYS A 43 -15.625 28.321 6.839 1.00 0.00 O ATOM 648 CB LYS A 43 -15.649 25.410 8.253 1.00 0.00 C ATOM 649 CG LYS A 43 -14.420 25.262 7.315 1.00 0.00 C ATOM 650 CD LYS A 43 -13.078 25.774 7.939 1.00 0.00 C ATOM 651 CE LYS A 43 -12.482 24.849 9.039 1.00 0.00 C ATOM 652 NZ LYS A 43 -13.322 24.747 10.262 1.00 0.00 N ATOM 0 H LYS A 43 -17.562 26.053 9.765 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.032 27.307 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.488 24.796 9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.527 25.012 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.306 24.212 7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.612 25.809 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.343 25.890 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.245 26.763 8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.341 23.851 8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.496 25.221 9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.709 24.699 11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.938 25.582 10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.907 23.889 10.211 1.00 0.00 H new ATOM 666 N LEU A 44 -17.766 27.737 7.286 1.00 0.00 N ATOM 667 CA LEU A 44 -18.380 28.514 6.178 1.00 0.00 C ATOM 668 C LEU A 44 -18.116 30.009 6.327 1.00 0.00 C ATOM 669 O LEU A 44 -17.861 30.676 5.339 1.00 0.00 O ATOM 670 CB LEU A 44 -19.913 28.224 6.054 1.00 0.00 C ATOM 671 CG LEU A 44 -20.293 27.000 5.156 1.00 0.00 C ATOM 672 CD1 LEU A 44 -19.512 25.741 5.569 1.00 0.00 C ATOM 673 CD2 LEU A 44 -21.818 26.742 5.166 1.00 0.00 C ATOM 0 H LEU A 44 -18.443 27.230 7.856 1.00 0.00 H new ATOM 0 HA LEU A 44 -17.904 28.185 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -20.317 28.059 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -20.403 29.112 5.655 1.00 0.00 H new ATOM 0 HG LEU A 44 -20.009 27.245 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.798 24.908 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -18.443 25.927 5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.741 25.495 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -22.046 25.885 4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -22.146 26.537 6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -22.338 27.622 4.788 1.00 0.00 H new ATOM 685 N GLY A 45 -18.142 30.507 7.574 1.00 0.00 N ATOM 686 CA GLY A 45 -17.825 31.914 7.866 1.00 0.00 C ATOM 687 C GLY A 45 -16.375 32.291 7.526 1.00 0.00 C ATOM 688 O GLY A 45 -16.062 33.467 7.315 1.00 0.00 O ATOM 0 H GLY A 45 -18.380 29.954 8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.502 32.557 7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -18.006 32.109 8.923 1.00 0.00 H new ATOM 692 N ARG A 46 -15.505 31.269 7.429 1.00 0.00 N ATOM 693 CA ARG A 46 -14.072 31.425 7.126 1.00 0.00 C ATOM 694 C ARG A 46 -13.828 31.290 5.602 1.00 0.00 C ATOM 695 O ARG A 46 -13.113 32.097 5.004 1.00 0.00 O ATOM 696 CB ARG A 46 -13.261 30.350 7.913 1.00 0.00 C ATOM 697 CG ARG A 46 -13.632 30.235 9.406 1.00 0.00 C ATOM 698 CD ARG A 46 -12.855 29.123 10.141 1.00 0.00 C ATOM 699 NE ARG A 46 -13.467 28.808 11.449 1.00 0.00 N ATOM 700 CZ ARG A 46 -12.824 28.372 12.546 1.00 0.00 C ATOM 701 NH1 ARG A 46 -11.505 28.262 12.573 1.00 0.00 N ATOM 702 NH2 ARG A 46 -13.515 28.048 13.632 1.00 0.00 N ATOM 0 H ARG A 46 -15.783 30.297 7.561 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.740 32.417 7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.411 29.380 7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.199 30.583 7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.439 31.189 9.896 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.701 30.042 9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.831 28.225 9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.821 29.436 10.288 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.476 28.934 11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.956 28.510 11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.038 27.929 13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.532 28.130 13.633 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.029 27.717 14.466 1.00 0.00 H new ATOM 716 N VAL A 47 -14.457 30.262 4.989 1.00 0.00 N ATOM 717 CA VAL A 47 -14.281 29.918 3.555 1.00 0.00 C ATOM 718 C VAL A 47 -14.988 30.939 2.643 1.00 0.00 C ATOM 719 O VAL A 47 -14.517 31.227 1.543 1.00 0.00 O ATOM 720 CB VAL A 47 -14.802 28.453 3.234 1.00 0.00 C ATOM 721 CG1 VAL A 47 -14.593 28.065 1.740 1.00 0.00 C ATOM 722 CG2 VAL A 47 -14.127 27.419 4.161 1.00 0.00 C ATOM 0 H VAL A 47 -15.105 29.643 5.476 1.00 0.00 H new ATOM 0 HA VAL A 47 -13.211 29.952 3.352 1.00 0.00 H new ATOM 0 HB VAL A 47 -15.876 28.448 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.965 27.055 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.136 28.763 1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.531 28.105 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -14.498 26.422 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.047 27.449 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.359 27.655 5.200 1.00 0.00 H new ATOM 732 N VAL A 48 -16.105 31.510 3.122 1.00 0.00 N ATOM 733 CA VAL A 48 -16.880 32.511 2.356 1.00 0.00 C ATOM 734 C VAL A 48 -16.033 33.782 2.114 1.00 0.00 C ATOM 735 O VAL A 48 -16.253 34.504 1.138 1.00 0.00 O ATOM 736 CB VAL A 48 -18.240 32.883 3.080 1.00 0.00 C ATOM 737 CG1 VAL A 48 -18.013 33.699 4.382 1.00 0.00 C ATOM 738 CG2 VAL A 48 -19.224 33.605 2.123 1.00 0.00 C ATOM 0 H VAL A 48 -16.496 31.297 4.040 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.131 32.064 1.394 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.701 31.940 3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.975 33.929 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.411 33.115 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -17.494 34.627 4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -20.143 33.843 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.768 34.526 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -19.453 32.955 1.279 1.00 0.00 H new ATOM 748 N HIS A 49 -15.042 34.017 3.011 1.00 0.00 N ATOM 749 CA HIS A 49 -14.200 35.219 2.989 1.00 0.00 C ATOM 750 C HIS A 49 -13.279 35.262 1.749 1.00 0.00 C ATOM 751 O HIS A 49 -13.132 36.321 1.147 1.00 0.00 O ATOM 752 CB HIS A 49 -13.373 35.347 4.289 1.00 0.00 C ATOM 753 CG HIS A 49 -12.613 36.650 4.387 1.00 0.00 C ATOM 754 ND1 HIS A 49 -11.302 36.805 3.993 1.00 0.00 N ATOM 755 CD2 HIS A 49 -13.019 37.879 4.808 1.00 0.00 C ATOM 756 CE1 HIS A 49 -10.958 38.083 4.181 1.00 0.00 C ATOM 757 NE2 HIS A 49 -11.962 38.778 4.672 1.00 0.00 N ATOM 0 H HIS A 49 -14.812 33.372 3.767 1.00 0.00 H new ATOM 0 HA HIS A 49 -14.873 36.074 2.925 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -14.040 35.258 5.146 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -12.668 34.518 4.346 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -14.002 38.119 5.186 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.983 38.492 3.959 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.966 39.771 4.905 1.00 0.00 H new ATOM 765 N ILE A 50 -12.670 34.109 1.371 1.00 0.00 N ATOM 766 CA ILE A 50 -11.773 34.032 0.182 1.00 0.00 C ATOM 767 C ILE A 50 -12.575 34.289 -1.114 1.00 0.00 C ATOM 768 O ILE A 50 -12.074 34.920 -2.045 1.00 0.00 O ATOM 769 CB ILE A 50 -10.991 32.653 0.073 1.00 0.00 C ATOM 770 CG1 ILE A 50 -11.961 31.444 -0.169 1.00 0.00 C ATOM 771 CG2 ILE A 50 -10.109 32.414 1.333 1.00 0.00 C ATOM 772 CD1 ILE A 50 -11.288 30.105 -0.399 1.00 0.00 C ATOM 0 H ILE A 50 -12.781 33.224 1.866 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.021 34.810 0.314 1.00 0.00 H new ATOM 0 HB ILE A 50 -10.338 32.721 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.624 31.355 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.587 31.670 -1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.584 31.464 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.383 33.222 1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.741 32.389 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.047 29.338 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.647 30.166 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.685 29.846 0.472 1.00 0.00 H new ATOM 784 N ILE A 51 -13.837 33.827 -1.120 1.00 0.00 N ATOM 785 CA ILE A 51 -14.748 33.939 -2.281 1.00 0.00 C ATOM 786 C ILE A 51 -15.162 35.412 -2.500 1.00 0.00 C ATOM 787 O ILE A 51 -15.106 35.937 -3.622 1.00 0.00 O ATOM 788 CB ILE A 51 -16.028 33.030 -2.055 1.00 0.00 C ATOM 789 CG1 ILE A 51 -15.601 31.546 -1.752 1.00 0.00 C ATOM 790 CG2 ILE A 51 -17.015 33.091 -3.259 1.00 0.00 C ATOM 791 CD1 ILE A 51 -16.731 30.622 -1.308 1.00 0.00 C ATOM 0 H ILE A 51 -14.260 33.362 -0.317 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.226 33.593 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 51 -16.560 33.426 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.141 31.127 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.836 31.556 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -17.875 32.453 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.351 34.118 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.510 32.745 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.334 29.624 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.179 31.009 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -17.489 30.573 -2.090 1.00 0.00 H new ATOM 803 N GLN A 52 -15.540 36.076 -1.392 1.00 0.00 N ATOM 804 CA GLN A 52 -16.006 37.475 -1.407 1.00 0.00 C ATOM 805 C GLN A 52 -14.820 38.463 -1.446 1.00 0.00 C ATOM 806 O GLN A 52 -15.018 39.652 -1.700 1.00 0.00 O ATOM 807 CB GLN A 52 -16.922 37.752 -0.191 1.00 0.00 C ATOM 808 CG GLN A 52 -16.215 37.721 1.177 1.00 0.00 C ATOM 809 CD GLN A 52 -17.188 37.880 2.347 1.00 0.00 C ATOM 810 OE1 GLN A 52 -17.451 38.981 2.811 1.00 0.00 O ATOM 811 NE2 GLN A 52 -17.730 36.776 2.824 1.00 0.00 N ATOM 0 H GLN A 52 -15.531 35.658 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 52 -16.587 37.628 -2.317 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -17.387 38.729 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -17.725 37.015 -0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -15.677 36.779 1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -15.473 38.518 1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -17.491 35.873 2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.389 36.826 3.601 1.00 0.00 H new ATOM 820 N ALA A 53 -13.593 37.960 -1.176 1.00 0.00 N ATOM 821 CA ALA A 53 -12.346 38.741 -1.332 1.00 0.00 C ATOM 822 C ALA A 53 -12.050 38.991 -2.822 1.00 0.00 C ATOM 823 O ALA A 53 -11.375 39.959 -3.174 1.00 0.00 O ATOM 824 CB ALA A 53 -11.163 38.041 -0.639 1.00 0.00 C ATOM 0 H ALA A 53 -13.441 37.007 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.485 39.707 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.260 38.637 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.376 37.934 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.014 37.056 -1.080 1.00 0.00 H new ATOM 830 N ARG A 54 -12.546 38.078 -3.680 1.00 0.00 N ATOM 831 CA ARG A 54 -12.546 38.249 -5.144 1.00 0.00 C ATOM 832 C ARG A 54 -13.732 39.134 -5.565 1.00 0.00 C ATOM 833 O ARG A 54 -13.547 40.135 -6.263 1.00 0.00 O ATOM 834 CB ARG A 54 -12.616 36.870 -5.878 1.00 0.00 C ATOM 835 CG ARG A 54 -11.265 36.131 -6.057 1.00 0.00 C ATOM 836 CD ARG A 54 -10.587 35.693 -4.740 1.00 0.00 C ATOM 837 NE ARG A 54 -9.792 36.758 -4.098 1.00 0.00 N ATOM 838 CZ ARG A 54 -8.926 36.570 -3.085 1.00 0.00 C ATOM 839 NH1 ARG A 54 -8.772 35.368 -2.535 1.00 0.00 N ATOM 840 NH2 ARG A 54 -8.230 37.596 -2.607 1.00 0.00 N ATOM 0 H ARG A 54 -12.960 37.197 -3.374 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.612 38.733 -5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.294 36.220 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.056 37.026 -6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.429 35.249 -6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.581 36.781 -6.603 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.353 35.354 -4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.939 34.840 -4.942 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.908 37.709 -4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.314 34.576 -2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.112 35.239 -1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.352 38.526 -3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.574 37.454 -1.839 1.00 0.00 H new ATOM 854 N GLU A 55 -14.949 38.749 -5.123 1.00 0.00 N ATOM 855 CA GLU A 55 -16.204 39.422 -5.522 1.00 0.00 C ATOM 856 C GLU A 55 -16.771 40.289 -4.373 1.00 0.00 C ATOM 857 O GLU A 55 -17.390 39.747 -3.449 1.00 0.00 O ATOM 858 CB GLU A 55 -17.264 38.374 -5.978 1.00 0.00 C ATOM 859 CG GLU A 55 -16.824 37.500 -7.172 1.00 0.00 C ATOM 860 CD GLU A 55 -16.380 38.330 -8.391 1.00 0.00 C ATOM 861 OE1 GLU A 55 -15.171 38.349 -8.711 1.00 0.00 O ATOM 862 OE2 GLU A 55 -17.238 38.997 -9.008 1.00 0.00 O ATOM 0 H GLU A 55 -15.089 37.967 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.974 40.081 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.500 37.724 -5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.182 38.897 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.003 36.854 -6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.649 36.849 -7.463 1.00 0.00 H new ATOM 869 N PRO A 56 -16.579 41.661 -4.411 1.00 0.00 N ATOM 870 CA PRO A 56 -17.199 42.590 -3.430 1.00 0.00 C ATOM 871 C PRO A 56 -18.741 42.576 -3.513 1.00 0.00 C ATOM 872 O PRO A 56 -19.420 42.946 -2.552 1.00 0.00 O ATOM 873 CB PRO A 56 -16.610 43.981 -3.811 1.00 0.00 C ATOM 874 CG PRO A 56 -16.215 43.834 -5.245 1.00 0.00 C ATOM 875 CD PRO A 56 -15.740 42.405 -5.391 1.00 0.00 C ATOM 0 HA PRO A 56 -16.980 42.311 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -17.346 44.774 -3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.754 44.235 -3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.057 44.037 -5.906 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.426 44.538 -5.509 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -15.884 42.035 -6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.678 42.309 -5.165 1.00 0.00 H new ATOM 883 N SER A 57 -19.273 42.120 -4.671 1.00 0.00 N ATOM 884 CA SER A 57 -20.718 41.922 -4.895 1.00 0.00 C ATOM 885 C SER A 57 -21.296 40.915 -3.874 1.00 0.00 C ATOM 886 O SER A 57 -22.408 41.096 -3.363 1.00 0.00 O ATOM 887 CB SER A 57 -20.955 41.421 -6.342 1.00 0.00 C ATOM 888 OG SER A 57 -22.336 41.325 -6.653 1.00 0.00 O ATOM 0 H SER A 57 -18.703 41.878 -5.481 1.00 0.00 H new ATOM 0 HA SER A 57 -21.231 42.874 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.472 42.100 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.486 40.445 -6.469 1.00 0.00 H new ATOM 0 HG SER A 57 -22.443 41.007 -7.574 1.00 0.00 H new ATOM 894 N LEU A 58 -20.506 39.868 -3.561 1.00 0.00 N ATOM 895 CA LEU A 58 -20.902 38.802 -2.615 1.00 0.00 C ATOM 896 C LEU A 58 -20.360 39.074 -1.190 1.00 0.00 C ATOM 897 O LEU A 58 -20.571 38.264 -0.283 1.00 0.00 O ATOM 898 CB LEU A 58 -20.408 37.424 -3.151 1.00 0.00 C ATOM 899 CG LEU A 58 -20.969 36.991 -4.555 1.00 0.00 C ATOM 900 CD1 LEU A 58 -20.442 35.592 -4.974 1.00 0.00 C ATOM 901 CD2 LEU A 58 -22.522 37.036 -4.580 1.00 0.00 C ATOM 0 H LEU A 58 -19.575 39.737 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 58 -21.989 38.788 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.320 37.447 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -20.673 36.657 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.603 37.711 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -20.851 35.326 -5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -19.354 35.615 -5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.751 34.851 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.879 36.731 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.918 36.358 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -22.860 38.051 -4.370 1.00 0.00 H new ATOM 913 N ARG A 59 -19.689 40.234 -0.998 1.00 0.00 N ATOM 914 CA ARG A 59 -19.086 40.603 0.305 1.00 0.00 C ATOM 915 C ARG A 59 -20.143 41.144 1.275 1.00 0.00 C ATOM 916 O ARG A 59 -20.138 40.808 2.464 1.00 0.00 O ATOM 917 CB ARG A 59 -17.932 41.629 0.113 1.00 0.00 C ATOM 918 CG ARG A 59 -17.180 41.995 1.414 1.00 0.00 C ATOM 919 CD ARG A 59 -16.004 42.954 1.187 1.00 0.00 C ATOM 920 NE ARG A 59 -15.340 43.281 2.463 1.00 0.00 N ATOM 921 CZ ARG A 59 -15.232 44.506 3.000 1.00 0.00 C ATOM 922 NH1 ARG A 59 -15.697 45.578 2.364 1.00 0.00 N ATOM 923 NH2 ARG A 59 -14.653 44.652 4.184 1.00 0.00 N ATOM 0 H ARG A 59 -19.551 40.931 -1.730 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.666 39.698 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.218 41.224 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -18.341 42.540 -0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.880 42.450 2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.810 41.082 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.286 42.500 0.504 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.361 43.868 0.713 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.926 42.507 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.144 45.476 1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.606 46.502 2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.293 43.836 4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.567 45.580 4.599 1.00 0.00 H new ATOM 937 N ASP A 60 -21.051 41.977 0.747 1.00 0.00 N ATOM 938 CA ASP A 60 -22.169 42.560 1.527 1.00 0.00 C ATOM 939 C ASP A 60 -23.382 41.613 1.554 1.00 0.00 C ATOM 940 O ASP A 60 -24.341 41.861 2.287 1.00 0.00 O ATOM 941 CB ASP A 60 -22.579 43.934 0.944 1.00 0.00 C ATOM 942 CG ASP A 60 -21.466 44.976 1.058 1.00 0.00 C ATOM 943 OD1 ASP A 60 -20.560 44.993 0.200 1.00 0.00 O ATOM 944 OD2 ASP A 60 -21.477 45.770 2.024 1.00 0.00 O ATOM 0 H ASP A 60 -21.038 42.269 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 60 -21.823 42.700 2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -22.853 43.813 -0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -23.465 44.296 1.465 1.00 0.00 H new ATOM 949 N SER A 61 -23.329 40.536 0.736 1.00 0.00 N ATOM 950 CA SER A 61 -24.385 39.511 0.686 1.00 0.00 C ATOM 951 C SER A 61 -24.342 38.654 1.966 1.00 0.00 C ATOM 952 O SER A 61 -23.296 38.069 2.277 1.00 0.00 O ATOM 953 CB SER A 61 -24.221 38.622 -0.573 1.00 0.00 C ATOM 954 OG SER A 61 -25.273 37.674 -0.687 1.00 0.00 O ATOM 0 H SER A 61 -22.554 40.358 0.097 1.00 0.00 H new ATOM 0 HA SER A 61 -25.355 40.005 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 61 -24.200 39.251 -1.463 1.00 0.00 H new ATOM 0 HB3 SER A 61 -23.265 38.101 -0.529 1.00 0.00 H new ATOM 0 HG SER A 61 -25.139 37.132 -1.492 1.00 0.00 H new ATOM 960 N ASN A 62 -25.485 38.614 2.697 1.00 0.00 N ATOM 961 CA ASN A 62 -25.637 37.857 3.966 1.00 0.00 C ATOM 962 C ASN A 62 -25.252 36.385 3.759 1.00 0.00 C ATOM 963 O ASN A 62 -25.682 35.808 2.772 1.00 0.00 O ATOM 964 CB ASN A 62 -27.108 37.924 4.481 1.00 0.00 C ATOM 965 CG ASN A 62 -27.584 39.350 4.749 1.00 0.00 C ATOM 966 OD1 ASN A 62 -27.454 39.860 5.859 1.00 0.00 O ATOM 967 ND2 ASN A 62 -28.137 39.999 3.737 1.00 0.00 N ATOM 0 H ASN A 62 -26.333 39.109 2.420 1.00 0.00 H new ATOM 0 HA ASN A 62 -24.976 38.312 4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.766 37.460 3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -27.193 37.341 5.398 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -28.471 40.954 3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -28.229 39.544 2.829 1.00 0.00 H new ATOM 974 N PRO A 63 -24.442 35.755 4.681 1.00 0.00 N ATOM 975 CA PRO A 63 -24.057 34.322 4.563 1.00 0.00 C ATOM 976 C PRO A 63 -25.287 33.376 4.570 1.00 0.00 C ATOM 977 O PRO A 63 -25.237 32.276 4.015 1.00 0.00 O ATOM 978 CB PRO A 63 -23.125 34.085 5.786 1.00 0.00 C ATOM 979 CG PRO A 63 -23.465 35.194 6.742 1.00 0.00 C ATOM 980 CD PRO A 63 -23.814 36.381 5.879 1.00 0.00 C ATOM 0 HA PRO A 63 -23.564 34.103 3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -23.300 33.107 6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -22.075 34.119 5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -24.302 34.916 7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -22.623 35.419 7.396 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -24.500 37.060 6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -22.930 36.961 5.614 1.00 0.00 H new ATOM 988 N GLU A 64 -26.395 33.849 5.177 1.00 0.00 N ATOM 989 CA GLU A 64 -27.672 33.113 5.263 1.00 0.00 C ATOM 990 C GLU A 64 -28.497 33.222 3.963 1.00 0.00 C ATOM 991 O GLU A 64 -29.528 32.566 3.828 1.00 0.00 O ATOM 992 CB GLU A 64 -28.499 33.656 6.461 1.00 0.00 C ATOM 993 CG GLU A 64 -27.784 33.587 7.824 1.00 0.00 C ATOM 994 CD GLU A 64 -27.381 32.158 8.218 1.00 0.00 C ATOM 995 OE1 GLU A 64 -26.191 31.800 8.079 1.00 0.00 O ATOM 996 OE2 GLU A 64 -28.258 31.383 8.657 1.00 0.00 O ATOM 0 H GLU A 64 -26.428 34.764 5.626 1.00 0.00 H new ATOM 0 HA GLU A 64 -27.440 32.058 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -28.767 34.693 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -29.430 33.093 6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -26.893 34.214 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -28.438 33.999 8.593 1.00 0.00 H new ATOM 1003 N GLU A 65 -28.034 34.054 3.019 1.00 0.00 N ATOM 1004 CA GLU A 65 -28.749 34.344 1.752 1.00 0.00 C ATOM 1005 C GLU A 65 -27.799 34.224 0.535 1.00 0.00 C ATOM 1006 O GLU A 65 -28.251 34.226 -0.622 1.00 0.00 O ATOM 1007 CB GLU A 65 -29.358 35.775 1.842 1.00 0.00 C ATOM 1008 CG GLU A 65 -30.391 36.125 0.741 1.00 0.00 C ATOM 1009 CD GLU A 65 -30.890 37.579 0.822 1.00 0.00 C ATOM 1010 OE1 GLU A 65 -31.710 37.892 1.714 1.00 0.00 O ATOM 1011 OE2 GLU A 65 -30.465 38.416 -0.003 1.00 0.00 O ATOM 0 H GLU A 65 -27.148 34.551 3.107 1.00 0.00 H new ATOM 0 HA GLU A 65 -29.546 33.614 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -29.836 35.888 2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.546 36.501 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -29.942 35.955 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -31.243 35.450 0.822 1.00 0.00 H new ATOM 1018 N ILE A 66 -26.483 34.096 0.813 1.00 0.00 N ATOM 1019 CA ILE A 66 -25.434 34.104 -0.228 1.00 0.00 C ATOM 1020 C ILE A 66 -25.421 32.772 -0.994 1.00 0.00 C ATOM 1021 O ILE A 66 -25.652 31.705 -0.411 1.00 0.00 O ATOM 1022 CB ILE A 66 -23.992 34.404 0.381 1.00 0.00 C ATOM 1023 CG1 ILE A 66 -22.972 34.818 -0.738 1.00 0.00 C ATOM 1024 CG2 ILE A 66 -23.445 33.206 1.214 1.00 0.00 C ATOM 1025 CD1 ILE A 66 -21.575 35.169 -0.244 1.00 0.00 C ATOM 0 H ILE A 66 -26.120 33.985 1.760 1.00 0.00 H new ATOM 0 HA ILE A 66 -25.674 34.910 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 66 -24.109 35.247 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -22.892 34.001 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -23.376 35.676 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -22.460 33.457 1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -24.125 32.997 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -23.367 32.325 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.947 35.441 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -21.634 36.009 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -21.143 34.308 0.267 1.00 0.00 H new ATOM 1037 N GLU A 67 -25.176 32.850 -2.302 1.00 0.00 N ATOM 1038 CA GLU A 67 -24.992 31.670 -3.152 1.00 0.00 C ATOM 1039 C GLU A 67 -23.837 31.947 -4.118 1.00 0.00 C ATOM 1040 O GLU A 67 -23.640 33.088 -4.559 1.00 0.00 O ATOM 1041 CB GLU A 67 -26.317 31.311 -3.880 1.00 0.00 C ATOM 1042 CG GLU A 67 -26.273 29.980 -4.669 1.00 0.00 C ATOM 1043 CD GLU A 67 -27.667 29.467 -5.068 1.00 0.00 C ATOM 1044 OE1 GLU A 67 -28.234 28.620 -4.347 1.00 0.00 O ATOM 1045 OE2 GLU A 67 -28.207 29.915 -6.100 1.00 0.00 O ATOM 0 H GLU A 67 -25.099 33.734 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 67 -24.733 30.798 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -27.119 31.256 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -26.570 32.118 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -25.672 30.118 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -25.773 29.223 -4.065 1.00 0.00 H new ATOM 1052 N ILE A 68 -23.064 30.901 -4.428 1.00 0.00 N ATOM 1053 CA ILE A 68 -21.798 31.040 -5.150 1.00 0.00 C ATOM 1054 C ILE A 68 -22.058 30.966 -6.657 1.00 0.00 C ATOM 1055 O ILE A 68 -22.309 29.882 -7.202 1.00 0.00 O ATOM 1056 CB ILE A 68 -20.777 29.931 -4.698 1.00 0.00 C ATOM 1057 CG1 ILE A 68 -20.603 29.957 -3.139 1.00 0.00 C ATOM 1058 CG2 ILE A 68 -19.408 30.104 -5.416 1.00 0.00 C ATOM 1059 CD1 ILE A 68 -19.758 28.831 -2.573 1.00 0.00 C ATOM 0 H ILE A 68 -23.298 29.938 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 68 -21.357 32.009 -4.917 1.00 0.00 H new ATOM 0 HB ILE A 68 -21.177 28.958 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.153 30.908 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -21.590 29.919 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -18.722 29.324 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -19.550 30.028 -6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -18.991 31.081 -5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -19.695 28.933 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -20.215 27.873 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.757 28.877 -3.001 1.00 0.00 H new ATOM 1071 N ASP A 69 -22.068 32.136 -7.310 1.00 0.00 N ATOM 1072 CA ASP A 69 -22.160 32.225 -8.763 1.00 0.00 C ATOM 1073 C ASP A 69 -20.759 31.994 -9.351 1.00 0.00 C ATOM 1074 O ASP A 69 -19.876 32.851 -9.248 1.00 0.00 O ATOM 1075 CB ASP A 69 -22.732 33.597 -9.194 1.00 0.00 C ATOM 1076 CG ASP A 69 -24.152 33.845 -8.657 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -24.303 34.481 -7.592 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -25.126 33.399 -9.302 1.00 0.00 O ATOM 0 H ASP A 69 -22.013 33.041 -6.843 1.00 0.00 H new ATOM 0 HA ASP A 69 -22.842 31.464 -9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -22.071 34.388 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -22.745 33.655 -10.282 1.00 0.00 H new ATOM 1083 N PHE A 70 -20.560 30.814 -9.937 1.00 0.00 N ATOM 1084 CA PHE A 70 -19.264 30.396 -10.502 1.00 0.00 C ATOM 1085 C PHE A 70 -18.967 31.133 -11.827 1.00 0.00 C ATOM 1086 O PHE A 70 -17.816 31.165 -12.280 1.00 0.00 O ATOM 1087 CB PHE A 70 -19.260 28.860 -10.698 1.00 0.00 C ATOM 1088 CG PHE A 70 -19.415 28.075 -9.387 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -18.302 27.760 -8.623 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -20.662 27.646 -8.931 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -18.411 27.057 -7.447 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -20.779 26.939 -7.747 1.00 0.00 C ATOM 1093 CZ PHE A 70 -19.651 26.637 -7.007 1.00 0.00 C ATOM 0 H PHE A 70 -21.294 30.112 -10.037 1.00 0.00 H new ATOM 0 HA PHE A 70 -18.470 30.664 -9.805 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -20.070 28.586 -11.374 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -18.328 28.566 -11.181 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -17.325 28.075 -8.960 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -21.547 27.868 -9.509 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -17.528 26.833 -6.867 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -21.752 26.623 -7.401 1.00 0.00 H new ATOM 0 HZ PHE A 70 -19.739 26.075 -6.089 1.00 0.00 H new ATOM 1103 N GLU A 71 -20.029 31.719 -12.430 1.00 0.00 N ATOM 1104 CA GLU A 71 -19.923 32.541 -13.653 1.00 0.00 C ATOM 1105 C GLU A 71 -19.191 33.871 -13.372 1.00 0.00 C ATOM 1106 O GLU A 71 -18.428 34.355 -14.213 1.00 0.00 O ATOM 1107 CB GLU A 71 -21.338 32.819 -14.238 1.00 0.00 C ATOM 1108 CG GLU A 71 -21.373 33.642 -15.555 1.00 0.00 C ATOM 1109 CD GLU A 71 -20.774 32.913 -16.776 1.00 0.00 C ATOM 1110 OE1 GLU A 71 -21.535 32.287 -17.544 1.00 0.00 O ATOM 1111 OE2 GLU A 71 -19.537 32.957 -16.977 1.00 0.00 O ATOM 0 H GLU A 71 -20.983 31.633 -12.079 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.338 31.983 -14.384 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -21.832 31.864 -14.415 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -21.925 33.346 -13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.407 33.907 -15.776 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -20.830 34.575 -15.401 1.00 0.00 H new ATOM 1118 N THR A 72 -19.431 34.452 -12.179 1.00 0.00 N ATOM 1119 CA THR A 72 -18.809 35.732 -11.780 1.00 0.00 C ATOM 1120 C THR A 72 -17.396 35.492 -11.181 1.00 0.00 C ATOM 1121 O THR A 72 -16.617 36.435 -11.037 1.00 0.00 O ATOM 1122 CB THR A 72 -19.722 36.557 -10.791 1.00 0.00 C ATOM 1123 OG1 THR A 72 -19.302 37.931 -10.758 1.00 0.00 O ATOM 1124 CG2 THR A 72 -19.717 36.006 -9.350 1.00 0.00 C ATOM 0 H THR A 72 -20.052 34.055 -11.474 1.00 0.00 H new ATOM 0 HA THR A 72 -18.700 36.336 -12.681 1.00 0.00 H new ATOM 0 HB THR A 72 -20.738 36.468 -11.175 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.596 38.041 -10.087 1.00 0.00 H new ATOM 0 HG21 THR A 72 -20.365 36.620 -8.724 1.00 0.00 H new ATOM 0 HG22 THR A 72 -20.081 34.979 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 72 -18.701 36.030 -8.955 1.00 0.00 H new ATOM 1132 N LEU A 73 -17.083 34.218 -10.833 1.00 0.00 N ATOM 1133 CA LEU A 73 -15.740 33.809 -10.375 1.00 0.00 C ATOM 1134 C LEU A 73 -14.825 33.524 -11.580 1.00 0.00 C ATOM 1135 O LEU A 73 -15.297 33.163 -12.665 1.00 0.00 O ATOM 1136 CB LEU A 73 -15.819 32.535 -9.482 1.00 0.00 C ATOM 1137 CG LEU A 73 -16.611 32.661 -8.138 1.00 0.00 C ATOM 1138 CD1 LEU A 73 -16.578 31.331 -7.340 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -16.080 33.836 -7.279 1.00 0.00 C ATOM 0 H LEU A 73 -17.755 33.451 -10.863 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.327 34.629 -9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.272 31.736 -10.069 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.802 32.221 -9.248 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.650 32.875 -8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.136 31.450 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.029 30.538 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -15.545 31.070 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.651 33.896 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.028 33.671 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.187 34.769 -7.833 1.00 0.00 H new ATOM 1151 N LYS A 74 -13.512 33.667 -11.355 1.00 0.00 N ATOM 1152 CA LYS A 74 -12.467 33.373 -12.358 1.00 0.00 C ATOM 1153 C LYS A 74 -12.028 31.900 -12.244 1.00 0.00 C ATOM 1154 O LYS A 74 -12.163 31.315 -11.162 1.00 0.00 O ATOM 1155 CB LYS A 74 -11.256 34.318 -12.131 1.00 0.00 C ATOM 1156 CG LYS A 74 -11.589 35.817 -12.295 1.00 0.00 C ATOM 1157 CD LYS A 74 -10.375 36.738 -12.034 1.00 0.00 C ATOM 1158 CE LYS A 74 -10.736 38.225 -12.152 1.00 0.00 C ATOM 1159 NZ LYS A 74 -9.577 39.109 -11.870 1.00 0.00 N ATOM 0 H LYS A 74 -13.137 33.993 -10.464 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.865 33.538 -13.359 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.861 34.152 -11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.465 34.053 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.961 35.993 -13.305 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.393 36.082 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.979 36.540 -11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.583 36.501 -12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.109 38.428 -13.156 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.544 38.457 -11.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.868 40.103 -11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.236 38.936 -10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.814 38.908 -12.548 1.00 0.00 H new ATOM 1173 N PRO A 75 -11.489 31.274 -13.357 1.00 0.00 N ATOM 1174 CA PRO A 75 -10.893 29.914 -13.306 1.00 0.00 C ATOM 1175 C PRO A 75 -9.820 29.778 -12.205 1.00 0.00 C ATOM 1176 O PRO A 75 -9.685 28.720 -11.604 1.00 0.00 O ATOM 1177 CB PRO A 75 -10.278 29.731 -14.723 1.00 0.00 C ATOM 1178 CG PRO A 75 -11.106 30.615 -15.607 1.00 0.00 C ATOM 1179 CD PRO A 75 -11.459 31.818 -14.752 1.00 0.00 C ATOM 0 HA PRO A 75 -11.633 29.153 -13.057 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -9.228 30.023 -14.741 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.325 28.691 -15.045 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.550 30.914 -16.496 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -12.003 30.099 -15.950 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.719 32.612 -14.855 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -12.422 32.241 -15.036 1.00 0.00 H new ATOM 1187 N SER A 76 -9.092 30.884 -11.956 1.00 0.00 N ATOM 1188 CA SER A 76 -8.065 30.990 -10.905 1.00 0.00 C ATOM 1189 C SER A 76 -8.675 30.772 -9.501 1.00 0.00 C ATOM 1190 O SER A 76 -8.163 29.967 -8.704 1.00 0.00 O ATOM 1191 CB SER A 76 -7.400 32.380 -10.989 1.00 0.00 C ATOM 1192 OG SER A 76 -6.949 32.655 -12.304 1.00 0.00 O ATOM 0 H SER A 76 -9.205 31.745 -12.491 1.00 0.00 H new ATOM 0 HA SER A 76 -7.318 30.212 -11.064 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.111 33.145 -10.678 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.559 32.426 -10.297 1.00 0.00 H new ATOM 0 HG SER A 76 -6.534 33.542 -12.329 1.00 0.00 H new ATOM 1198 N THR A 77 -9.785 31.496 -9.234 1.00 0.00 N ATOM 1199 CA THR A 77 -10.529 31.406 -7.962 1.00 0.00 C ATOM 1200 C THR A 77 -11.055 29.972 -7.740 1.00 0.00 C ATOM 1201 O THR A 77 -11.005 29.438 -6.628 1.00 0.00 O ATOM 1202 CB THR A 77 -11.731 32.417 -7.970 1.00 0.00 C ATOM 1203 OG1 THR A 77 -11.262 33.722 -8.357 1.00 0.00 O ATOM 1204 CG2 THR A 77 -12.446 32.509 -6.597 1.00 0.00 C ATOM 0 H THR A 77 -10.189 32.159 -9.896 1.00 0.00 H new ATOM 0 HA THR A 77 -9.850 31.659 -7.147 1.00 0.00 H new ATOM 0 HB THR A 77 -12.460 32.044 -8.689 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.029 34.311 -8.518 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.268 33.222 -6.662 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.837 31.529 -6.324 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.737 32.841 -5.839 1.00 0.00 H new ATOM 1212 N LEU A 78 -11.522 29.364 -8.844 1.00 0.00 N ATOM 1213 CA LEU A 78 -12.043 27.995 -8.863 1.00 0.00 C ATOM 1214 C LEU A 78 -10.953 26.974 -8.513 1.00 0.00 C ATOM 1215 O LEU A 78 -11.213 26.073 -7.744 1.00 0.00 O ATOM 1216 CB LEU A 78 -12.654 27.687 -10.251 1.00 0.00 C ATOM 1217 CG LEU A 78 -13.882 28.559 -10.659 1.00 0.00 C ATOM 1218 CD1 LEU A 78 -14.386 28.217 -12.075 1.00 0.00 C ATOM 1219 CD2 LEU A 78 -15.015 28.428 -9.636 1.00 0.00 C ATOM 0 H LEU A 78 -11.547 29.819 -9.757 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.821 27.914 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.877 27.811 -11.005 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.953 26.639 -10.271 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.547 29.596 -10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.241 28.847 -12.319 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.589 28.392 -12.797 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.685 27.169 -12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.858 29.046 -9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.332 27.387 -9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.663 28.758 -8.659 1.00 0.00 H new ATOM 1231 N ARG A 79 -9.741 27.157 -9.083 1.00 0.00 N ATOM 1232 CA ARG A 79 -8.565 26.272 -8.867 1.00 0.00 C ATOM 1233 C ARG A 79 -8.224 26.149 -7.381 1.00 0.00 C ATOM 1234 O ARG A 79 -8.033 25.034 -6.867 1.00 0.00 O ATOM 1235 CB ARG A 79 -7.333 26.842 -9.604 1.00 0.00 C ATOM 1236 CG ARG A 79 -7.353 26.710 -11.140 1.00 0.00 C ATOM 1237 CD ARG A 79 -6.420 27.728 -11.809 1.00 0.00 C ATOM 1238 NE ARG A 79 -5.051 27.700 -11.276 1.00 0.00 N ATOM 1239 CZ ARG A 79 -4.059 28.484 -11.706 1.00 0.00 C ATOM 1240 NH1 ARG A 79 -4.219 29.257 -12.763 1.00 0.00 N ATOM 1241 NH2 ARG A 79 -2.874 28.431 -11.129 1.00 0.00 N ATOM 0 H ARG A 79 -9.545 27.933 -9.715 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.821 25.287 -9.256 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.237 27.897 -9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.442 26.340 -9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.053 25.701 -11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.370 26.854 -11.504 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.389 27.532 -12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.833 28.729 -11.679 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.845 27.038 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.108 29.261 -13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.453 29.851 -13.081 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.713 27.790 -10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.118 29.031 -11.460 1.00 0.00 H new ATOM 1255 N GLU A 80 -8.137 27.319 -6.710 1.00 0.00 N ATOM 1256 CA GLU A 80 -7.868 27.388 -5.271 1.00 0.00 C ATOM 1257 C GLU A 80 -8.978 26.661 -4.508 1.00 0.00 C ATOM 1258 O GLU A 80 -8.697 25.843 -3.637 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.757 28.859 -4.787 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.374 28.998 -3.288 1.00 0.00 C ATOM 1261 CD GLU A 80 -7.351 30.451 -2.784 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -6.445 31.214 -3.184 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -8.225 30.837 -1.975 1.00 0.00 O ATOM 0 H GLU A 80 -8.251 28.230 -7.153 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.912 26.902 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.012 29.376 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.710 29.361 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.082 28.426 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.391 28.554 -3.131 1.00 0.00 H new ATOM 1270 N LEU A 81 -10.236 26.935 -4.916 1.00 0.00 N ATOM 1271 CA LEU A 81 -11.447 26.404 -4.264 1.00 0.00 C ATOM 1272 C LEU A 81 -11.540 24.859 -4.390 1.00 0.00 C ATOM 1273 O LEU A 81 -12.036 24.205 -3.473 1.00 0.00 O ATOM 1274 CB LEU A 81 -12.711 27.098 -4.849 1.00 0.00 C ATOM 1275 CG LEU A 81 -14.068 26.836 -4.108 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -13.993 27.256 -2.612 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -15.246 27.551 -4.835 1.00 0.00 C ATOM 0 H LEU A 81 -10.438 27.537 -5.714 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.387 26.628 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.533 28.173 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.823 26.781 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.257 25.763 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.951 27.060 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.212 26.683 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.763 28.319 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.176 27.354 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.061 28.625 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -15.326 27.175 -5.855 1.00 0.00 H new ATOM 1289 N GLU A 82 -11.027 24.295 -5.517 1.00 0.00 N ATOM 1290 CA GLU A 82 -10.974 22.825 -5.748 1.00 0.00 C ATOM 1291 C GLU A 82 -10.124 22.167 -4.655 1.00 0.00 C ATOM 1292 O GLU A 82 -10.565 21.252 -3.973 1.00 0.00 O ATOM 1293 CB GLU A 82 -10.345 22.458 -7.135 1.00 0.00 C ATOM 1294 CG GLU A 82 -11.032 23.044 -8.378 1.00 0.00 C ATOM 1295 CD GLU A 82 -12.520 22.685 -8.492 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -13.380 23.509 -8.115 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -12.841 21.577 -8.986 1.00 0.00 O ATOM 0 H GLU A 82 -10.641 24.842 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.002 22.463 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.305 22.784 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.338 21.372 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.930 24.129 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.513 22.690 -9.269 1.00 0.00 H new ATOM 1304 N ARG A 83 -8.904 22.702 -4.505 1.00 0.00 N ATOM 1305 CA ARG A 83 -7.876 22.191 -3.573 1.00 0.00 C ATOM 1306 C ARG A 83 -8.271 22.458 -2.113 1.00 0.00 C ATOM 1307 O ARG A 83 -7.979 21.657 -1.208 1.00 0.00 O ATOM 1308 CB ARG A 83 -6.528 22.887 -3.897 1.00 0.00 C ATOM 1309 CG ARG A 83 -6.097 22.763 -5.372 1.00 0.00 C ATOM 1310 CD ARG A 83 -4.874 23.625 -5.704 1.00 0.00 C ATOM 1311 NE ARG A 83 -4.533 23.517 -7.125 1.00 0.00 N ATOM 1312 CZ ARG A 83 -3.324 23.735 -7.659 1.00 0.00 C ATOM 1313 NH1 ARG A 83 -2.304 24.141 -6.917 1.00 0.00 N ATOM 1314 NH2 ARG A 83 -3.151 23.566 -8.955 1.00 0.00 N ATOM 0 H ARG A 83 -8.594 23.516 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.783 21.112 -3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.605 23.943 -3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.749 22.461 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.873 21.720 -5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.928 23.055 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.078 24.666 -5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.025 23.310 -5.097 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.283 23.252 -7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.430 24.294 -5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.393 24.300 -7.346 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.933 23.272 -9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.235 23.729 -9.373 1.00 0.00 H new ATOM 1328 N TYR A 84 -8.969 23.587 -1.926 1.00 0.00 N ATOM 1329 CA TYR A 84 -9.364 24.111 -0.617 1.00 0.00 C ATOM 1330 C TYR A 84 -10.382 23.165 0.031 1.00 0.00 C ATOM 1331 O TYR A 84 -10.264 22.824 1.207 1.00 0.00 O ATOM 1332 CB TYR A 84 -9.970 25.537 -0.786 1.00 0.00 C ATOM 1333 CG TYR A 84 -9.889 26.417 0.468 1.00 0.00 C ATOM 1334 CD1 TYR A 84 -10.815 26.300 1.510 1.00 0.00 C ATOM 1335 CD2 TYR A 84 -8.866 27.365 0.615 1.00 0.00 C ATOM 1336 CE1 TYR A 84 -10.719 27.088 2.636 1.00 0.00 C ATOM 1337 CE2 TYR A 84 -8.778 28.153 1.745 1.00 0.00 C ATOM 1338 CZ TYR A 84 -9.707 28.010 2.748 1.00 0.00 C ATOM 1339 OH TYR A 84 -9.616 28.789 3.869 1.00 0.00 O ATOM 0 H TYR A 84 -9.280 24.173 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.490 24.178 0.030 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.454 26.042 -1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.015 25.441 -1.080 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -11.617 25.581 1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.134 27.481 -0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -11.441 26.981 3.432 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.983 28.878 1.841 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.844 29.387 3.790 1.00 0.00 H new ATOM 1349 N VAL A 85 -11.376 22.742 -0.767 1.00 0.00 N ATOM 1350 CA VAL A 85 -12.424 21.825 -0.307 1.00 0.00 C ATOM 1351 C VAL A 85 -11.933 20.372 -0.321 1.00 0.00 C ATOM 1352 O VAL A 85 -12.300 19.621 0.557 1.00 0.00 O ATOM 1353 CB VAL A 85 -13.749 21.947 -1.155 1.00 0.00 C ATOM 1354 CG1 VAL A 85 -14.307 23.389 -1.119 1.00 0.00 C ATOM 1355 CG2 VAL A 85 -13.542 21.455 -2.608 1.00 0.00 C ATOM 0 H VAL A 85 -11.473 23.025 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.656 22.116 0.717 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.492 21.295 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.220 23.441 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.528 23.668 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.567 24.076 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -14.475 21.554 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.769 22.055 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.235 20.409 -2.598 1.00 0.00 H new ATOM 1365 N LEU A 86 -11.080 19.995 -1.309 1.00 0.00 N ATOM 1366 CA LEU A 86 -10.640 18.587 -1.519 1.00 0.00 C ATOM 1367 C LEU A 86 -9.827 18.088 -0.307 1.00 0.00 C ATOM 1368 O LEU A 86 -9.946 16.924 0.096 1.00 0.00 O ATOM 1369 CB LEU A 86 -9.831 18.475 -2.858 1.00 0.00 C ATOM 1370 CG LEU A 86 -9.560 17.046 -3.479 1.00 0.00 C ATOM 1371 CD1 LEU A 86 -8.396 16.295 -2.791 1.00 0.00 C ATOM 1372 CD2 LEU A 86 -10.850 16.193 -3.493 1.00 0.00 C ATOM 0 H LEU A 86 -10.680 20.652 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.515 17.943 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.357 19.065 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.864 18.952 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.245 17.212 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.261 15.322 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.479 16.876 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.626 16.157 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.635 15.216 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.214 16.067 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.611 16.694 -4.091 1.00 0.00 H new ATOM 1384 N SER A 87 -9.015 18.994 0.265 1.00 0.00 N ATOM 1385 CA SER A 87 -8.260 18.729 1.499 1.00 0.00 C ATOM 1386 C SER A 87 -9.224 18.441 2.678 1.00 0.00 C ATOM 1387 O SER A 87 -9.018 17.501 3.449 1.00 0.00 O ATOM 1388 CB SER A 87 -7.332 19.926 1.807 1.00 0.00 C ATOM 1389 OG SER A 87 -8.057 21.141 1.875 1.00 0.00 O ATOM 0 H SER A 87 -8.865 19.928 -0.115 1.00 0.00 H new ATOM 0 HA SER A 87 -7.643 17.842 1.359 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.817 19.755 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.565 20.001 1.036 1.00 0.00 H new ATOM 0 HG SER A 87 -8.189 21.494 0.970 1.00 0.00 H new ATOM 1395 N CYS A 88 -10.304 19.246 2.755 1.00 0.00 N ATOM 1396 CA CYS A 88 -11.333 19.142 3.810 1.00 0.00 C ATOM 1397 C CYS A 88 -12.200 17.876 3.629 1.00 0.00 C ATOM 1398 O CYS A 88 -12.602 17.246 4.607 1.00 0.00 O ATOM 1399 CB CYS A 88 -12.226 20.403 3.786 1.00 0.00 C ATOM 1400 SG CYS A 88 -11.295 21.944 3.842 1.00 0.00 S ATOM 0 H CYS A 88 -10.488 19.991 2.083 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.829 19.066 4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.836 20.389 2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.910 20.370 4.634 1.00 0.00 H new ATOM 0 HG CYS A 88 -10.759 22.170 2.679 1.00 0.00 H new ATOM 1406 N LEU A 89 -12.454 17.513 2.357 1.00 0.00 N ATOM 1407 CA LEU A 89 -13.312 16.372 1.990 1.00 0.00 C ATOM 1408 C LEU A 89 -12.557 15.048 2.163 1.00 0.00 C ATOM 1409 O LEU A 89 -13.186 14.009 2.386 1.00 0.00 O ATOM 1410 CB LEU A 89 -13.822 16.515 0.523 1.00 0.00 C ATOM 1411 CG LEU A 89 -14.785 17.721 0.230 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -15.107 17.830 -1.283 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -16.082 17.637 1.079 1.00 0.00 C ATOM 0 H LEU A 89 -12.067 18.006 1.552 1.00 0.00 H new ATOM 0 HA LEU A 89 -14.174 16.369 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.955 16.603 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.336 15.594 0.249 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.264 18.632 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -15.775 18.674 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.183 17.981 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -15.589 16.912 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -16.723 18.488 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.610 16.712 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.825 17.652 2.138 1.00 0.00 H new ATOM 1425 N ARG A 90 -11.206 15.107 2.051 1.00 0.00 N ATOM 1426 CA ARG A 90 -10.315 13.924 2.121 1.00 0.00 C ATOM 1427 C ARG A 90 -10.535 12.968 0.923 1.00 0.00 C ATOM 1428 O ARG A 90 -11.388 13.221 0.061 1.00 0.00 O ATOM 1429 CB ARG A 90 -10.460 13.173 3.498 1.00 0.00 C ATOM 1430 CG ARG A 90 -9.574 13.713 4.648 1.00 0.00 C ATOM 1431 CD ARG A 90 -8.087 13.447 4.380 1.00 0.00 C ATOM 1432 NE ARG A 90 -7.235 13.721 5.547 1.00 0.00 N ATOM 1433 CZ ARG A 90 -5.891 13.625 5.549 1.00 0.00 C ATOM 1434 NH1 ARG A 90 -5.224 13.342 4.433 1.00 0.00 N ATOM 1435 NH2 ARG A 90 -5.222 13.774 6.677 1.00 0.00 N ATOM 0 H ARG A 90 -10.703 15.983 1.909 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.290 14.288 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.503 13.223 3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.224 12.120 3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.739 14.784 4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.866 13.242 5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.958 12.407 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.758 14.064 3.544 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.693 14.003 6.414 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.730 13.194 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.207 13.273 4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.722 13.962 7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.205 13.702 6.680 1.00 0.00 H new ATOM 1724 N THR A 106 4.635 6.390 -23.772 1.00 0.00 N ATOM 1725 CA THR A 106 5.446 7.143 -22.800 1.00 0.00 C ATOM 1726 C THR A 106 6.778 7.645 -23.408 1.00 0.00 C ATOM 1727 O THR A 106 7.282 7.085 -24.400 1.00 0.00 O ATOM 1728 CB THR A 106 5.747 6.264 -21.535 1.00 0.00 C ATOM 1729 OG1 THR A 106 6.535 7.006 -20.588 1.00 0.00 O ATOM 1730 CG2 THR A 106 6.472 4.949 -21.893 1.00 0.00 C ATOM 0 HA THR A 106 4.860 8.016 -22.512 1.00 0.00 H new ATOM 0 HB THR A 106 4.785 6.003 -21.093 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.909 6.392 -19.922 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.658 4.377 -20.984 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.850 4.363 -22.570 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.421 5.177 -22.378 1.00 0.00 H new ATOM 1738 N LYS A 107 7.351 8.682 -22.758 1.00 0.00 N ATOM 1739 CA LYS A 107 8.644 9.295 -23.137 1.00 0.00 C ATOM 1740 C LYS A 107 9.806 8.286 -23.036 1.00 0.00 C ATOM 1741 O LYS A 107 10.812 8.402 -23.747 1.00 0.00 O ATOM 1742 CB LYS A 107 8.923 10.522 -22.219 1.00 0.00 C ATOM 1743 CG LYS A 107 7.863 11.643 -22.285 1.00 0.00 C ATOM 1744 CD LYS A 107 7.761 12.280 -23.686 1.00 0.00 C ATOM 1745 CE LYS A 107 6.718 13.406 -23.738 1.00 0.00 C ATOM 1746 NZ LYS A 107 6.642 14.031 -25.080 1.00 0.00 N ATOM 0 H LYS A 107 6.923 9.123 -21.944 1.00 0.00 H new ATOM 0 HA LYS A 107 8.577 9.615 -24.177 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.999 10.175 -21.188 1.00 0.00 H new ATOM 0 HB3 LYS A 107 9.892 10.943 -22.486 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.892 11.237 -22.003 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.110 12.415 -21.556 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.735 12.676 -23.975 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.500 11.512 -24.414 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.740 13.007 -23.468 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.968 14.166 -22.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.926 14.786 -25.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.568 14.435 -25.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.378 13.312 -25.783 1.00 0.00 H new ATOM 1760 N GLU A 108 9.633 7.302 -22.143 1.00 0.00 N ATOM 1761 CA GLU A 108 10.624 6.249 -21.881 1.00 0.00 C ATOM 1762 C GLU A 108 10.899 5.413 -23.145 1.00 0.00 C ATOM 1763 O GLU A 108 12.058 5.242 -23.534 1.00 0.00 O ATOM 1764 CB GLU A 108 10.106 5.335 -20.742 1.00 0.00 C ATOM 1765 CG GLU A 108 9.813 6.080 -19.418 1.00 0.00 C ATOM 1766 CD GLU A 108 9.073 5.210 -18.391 1.00 0.00 C ATOM 1767 OE1 GLU A 108 9.731 4.492 -17.604 1.00 0.00 O ATOM 1768 OE2 GLU A 108 7.823 5.230 -18.378 1.00 0.00 O ATOM 0 H GLU A 108 8.790 7.214 -21.575 1.00 0.00 H new ATOM 0 HA GLU A 108 11.561 6.719 -21.583 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.195 4.837 -21.076 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.844 4.555 -20.552 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.753 6.424 -18.985 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.217 6.967 -19.631 1.00 0.00 H new ATOM 1775 N GLU A 109 9.810 4.932 -23.782 1.00 0.00 N ATOM 1776 CA GLU A 109 9.896 3.989 -24.913 1.00 0.00 C ATOM 1777 C GLU A 109 10.351 4.691 -26.200 1.00 0.00 C ATOM 1778 O GLU A 109 11.208 4.168 -26.914 1.00 0.00 O ATOM 1779 CB GLU A 109 8.545 3.260 -25.149 1.00 0.00 C ATOM 1780 CG GLU A 109 8.570 2.213 -26.294 1.00 0.00 C ATOM 1781 CD GLU A 109 9.691 1.164 -26.132 1.00 0.00 C ATOM 1782 OE1 GLU A 109 10.657 1.149 -26.935 1.00 0.00 O ATOM 1783 OE2 GLU A 109 9.608 0.347 -25.194 1.00 0.00 O ATOM 0 H GLU A 109 8.855 5.185 -23.528 1.00 0.00 H new ATOM 0 HA GLU A 109 10.646 3.244 -24.647 1.00 0.00 H new ATOM 0 HB2 GLU A 109 8.249 2.763 -24.225 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.779 4.004 -25.370 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.607 1.704 -26.333 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.697 2.728 -27.246 1.00 0.00 H new ATOM 1790 N LEU A 110 9.787 5.886 -26.488 1.00 0.00 N ATOM 1791 CA LEU A 110 10.132 6.640 -27.719 1.00 0.00 C ATOM 1792 C LEU A 110 11.617 7.069 -27.739 1.00 0.00 C ATOM 1793 O LEU A 110 12.159 7.356 -28.805 1.00 0.00 O ATOM 1794 CB LEU A 110 9.137 7.821 -27.972 1.00 0.00 C ATOM 1795 CG LEU A 110 8.922 8.868 -26.820 1.00 0.00 C ATOM 1796 CD1 LEU A 110 10.073 9.901 -26.705 1.00 0.00 C ATOM 1797 CD2 LEU A 110 7.555 9.582 -26.958 1.00 0.00 C ATOM 0 H LEU A 110 9.098 6.347 -25.893 1.00 0.00 H new ATOM 0 HA LEU A 110 10.013 5.963 -28.565 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.479 8.362 -28.854 1.00 0.00 H new ATOM 0 HB3 LEU A 110 8.166 7.392 -28.218 1.00 0.00 H new ATOM 0 HG LEU A 110 8.927 8.296 -25.892 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.860 10.593 -25.890 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.010 9.381 -26.504 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.159 10.456 -27.639 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.436 10.300 -26.147 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.512 10.104 -27.914 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.753 8.845 -26.911 1.00 0.00 H new ATOM 1809 N ALA A 111 12.245 7.142 -26.548 1.00 0.00 N ATOM 1810 CA ALA A 111 13.708 7.333 -26.401 1.00 0.00 C ATOM 1811 C ALA A 111 14.470 5.981 -26.456 1.00 0.00 C ATOM 1812 O ALA A 111 15.572 5.899 -27.017 1.00 0.00 O ATOM 1813 CB ALA A 111 13.999 8.060 -25.077 1.00 0.00 C ATOM 0 H ALA A 111 11.754 7.070 -25.657 1.00 0.00 H new ATOM 0 HA ALA A 111 14.061 7.939 -27.236 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.074 8.201 -24.968 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.504 9.031 -25.079 1.00 0.00 H new ATOM 0 HB3 ALA A 111 13.625 7.464 -24.245 1.00 0.00 H new ATOM 1819 N LEU A 112 13.852 4.933 -25.867 1.00 0.00 N ATOM 1820 CA LEU A 112 14.464 3.589 -25.678 1.00 0.00 C ATOM 1821 C LEU A 112 14.750 2.889 -27.024 1.00 0.00 C ATOM 1822 O LEU A 112 15.781 2.233 -27.197 1.00 0.00 O ATOM 1823 CB LEU A 112 13.516 2.709 -24.819 1.00 0.00 C ATOM 1824 CG LEU A 112 14.048 1.301 -24.405 1.00 0.00 C ATOM 1825 CD1 LEU A 112 15.326 1.411 -23.536 1.00 0.00 C ATOM 1826 CD2 LEU A 112 12.942 0.481 -23.692 1.00 0.00 C ATOM 0 H LEU A 112 12.901 4.993 -25.503 1.00 0.00 H new ATOM 0 HA LEU A 112 15.419 3.723 -25.169 1.00 0.00 H new ATOM 0 HB2 LEU A 112 13.270 3.260 -23.911 1.00 0.00 H new ATOM 0 HB3 LEU A 112 12.586 2.572 -25.371 1.00 0.00 H new ATOM 0 HG LEU A 112 14.324 0.767 -25.314 1.00 0.00 H new ATOM 0 HD11 LEU A 112 15.669 0.412 -23.266 1.00 0.00 H new ATOM 0 HD12 LEU A 112 16.106 1.923 -24.099 1.00 0.00 H new ATOM 0 HD13 LEU A 112 15.103 1.975 -22.631 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.336 -0.496 -23.413 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.617 1.010 -22.796 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.094 0.352 -24.365 1.00 0.00 H new ATOM 1838 N GLU A 113 13.802 3.029 -27.955 1.00 0.00 N ATOM 1839 CA GLU A 113 13.884 2.450 -29.311 1.00 0.00 C ATOM 1840 C GLU A 113 15.065 3.037 -30.129 1.00 0.00 C ATOM 1841 O GLU A 113 15.608 2.355 -31.004 1.00 0.00 O ATOM 1842 CB GLU A 113 12.530 2.672 -30.029 1.00 0.00 C ATOM 1843 CG GLU A 113 12.088 4.145 -30.097 1.00 0.00 C ATOM 1844 CD GLU A 113 10.643 4.354 -30.576 1.00 0.00 C ATOM 1845 OE1 GLU A 113 9.734 3.657 -30.079 1.00 0.00 O ATOM 1846 OE2 GLU A 113 10.405 5.248 -31.413 1.00 0.00 O ATOM 0 H GLU A 113 12.942 3.553 -27.792 1.00 0.00 H new ATOM 0 HA GLU A 113 14.082 1.381 -29.226 1.00 0.00 H new ATOM 0 HB2 GLU A 113 12.600 2.278 -31.043 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.760 2.096 -29.515 1.00 0.00 H new ATOM 0 HG2 GLU A 113 12.198 4.590 -29.108 1.00 0.00 H new ATOM 0 HG3 GLU A 113 12.761 4.683 -30.765 1.00 0.00 H new ATOM 1853 N LYS A 114 15.460 4.293 -29.818 1.00 0.00 N ATOM 1854 CA LYS A 114 16.645 4.950 -30.434 1.00 0.00 C ATOM 1855 C LYS A 114 17.948 4.334 -29.898 1.00 0.00 C ATOM 1856 O LYS A 114 18.934 4.266 -30.626 1.00 0.00 O ATOM 1857 CB LYS A 114 16.651 6.498 -30.195 1.00 0.00 C ATOM 1858 CG LYS A 114 15.782 7.335 -31.171 1.00 0.00 C ATOM 1859 CD LYS A 114 14.285 7.000 -31.099 1.00 0.00 C ATOM 1860 CE LYS A 114 13.412 7.911 -31.981 1.00 0.00 C ATOM 1861 NZ LYS A 114 11.970 7.582 -31.833 1.00 0.00 N ATOM 0 H LYS A 114 14.974 4.879 -29.139 1.00 0.00 H new ATOM 0 HA LYS A 114 16.580 4.778 -31.508 1.00 0.00 H new ATOM 0 HB2 LYS A 114 16.310 6.691 -29.178 1.00 0.00 H new ATOM 0 HB3 LYS A 114 17.680 6.853 -30.259 1.00 0.00 H new ATOM 0 HG2 LYS A 114 15.920 8.394 -30.951 1.00 0.00 H new ATOM 0 HG3 LYS A 114 16.134 7.172 -32.190 1.00 0.00 H new ATOM 0 HD2 LYS A 114 14.137 5.963 -31.402 1.00 0.00 H new ATOM 0 HD3 LYS A 114 13.952 7.080 -30.064 1.00 0.00 H new ATOM 0 HE2 LYS A 114 13.580 8.953 -31.709 1.00 0.00 H new ATOM 0 HE3 LYS A 114 13.707 7.802 -33.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.424 8.076 -32.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.836 6.556 -31.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.640 7.884 -30.894 1.00 0.00 H new ATOM 1875 N LYS A 115 17.934 3.908 -28.617 1.00 0.00 N ATOM 1876 CA LYS A 115 19.080 3.220 -27.981 1.00 0.00 C ATOM 1877 C LYS A 115 19.348 1.869 -28.672 1.00 0.00 C ATOM 1878 O LYS A 115 20.505 1.483 -28.895 1.00 0.00 O ATOM 1879 CB LYS A 115 18.812 3.002 -26.462 1.00 0.00 C ATOM 1880 CG LYS A 115 18.673 4.290 -25.619 1.00 0.00 C ATOM 1881 CD LYS A 115 19.956 5.155 -25.657 1.00 0.00 C ATOM 1882 CE LYS A 115 19.883 6.365 -24.709 1.00 0.00 C ATOM 1883 NZ LYS A 115 21.120 7.189 -24.771 1.00 0.00 N ATOM 0 H LYS A 115 17.133 4.030 -27.997 1.00 0.00 H new ATOM 0 HA LYS A 115 19.962 3.850 -28.092 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.899 2.417 -26.352 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.625 2.405 -26.050 1.00 0.00 H new ATOM 0 HG2 LYS A 115 17.831 4.875 -25.989 1.00 0.00 H new ATOM 0 HG3 LYS A 115 18.447 4.024 -24.587 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.813 4.538 -25.387 1.00 0.00 H new ATOM 0 HD3 LYS A 115 20.123 5.506 -26.675 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.022 6.981 -24.971 1.00 0.00 H new ATOM 0 HE3 LYS A 115 19.728 6.018 -23.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 21.034 7.995 -24.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 21.938 6.608 -24.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 21.254 7.541 -25.740 1.00 0.00 H new ATOM 1897 N ARG A 116 18.249 1.164 -29.004 1.00 0.00 N ATOM 1898 CA ARG A 116 18.296 -0.099 -29.755 1.00 0.00 C ATOM 1899 C ARG A 116 18.776 0.137 -31.194 1.00 0.00 C ATOM 1900 O ARG A 116 19.606 -0.606 -31.700 1.00 0.00 O ATOM 1901 CB ARG A 116 16.906 -0.787 -29.741 1.00 0.00 C ATOM 1902 CG ARG A 116 16.768 -2.008 -30.682 1.00 0.00 C ATOM 1903 CD ARG A 116 15.464 -2.791 -30.453 1.00 0.00 C ATOM 1904 NE ARG A 116 14.273 -1.921 -30.444 1.00 0.00 N ATOM 1905 CZ ARG A 116 13.307 -1.931 -29.504 1.00 0.00 C ATOM 1906 NH1 ARG A 116 13.365 -2.774 -28.477 1.00 0.00 N ATOM 1907 NH2 ARG A 116 12.292 -1.081 -29.591 1.00 0.00 N ATOM 0 H ARG A 116 17.304 1.457 -28.757 1.00 0.00 H new ATOM 0 HA ARG A 116 19.012 -0.761 -29.269 1.00 0.00 H new ATOM 0 HB2 ARG A 116 16.686 -1.106 -28.722 1.00 0.00 H new ATOM 0 HB3 ARG A 116 16.150 -0.050 -30.014 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.806 -1.669 -31.717 1.00 0.00 H new ATOM 0 HG3 ARG A 116 17.618 -2.674 -30.533 1.00 0.00 H new ATOM 0 HD2 ARG A 116 15.354 -3.543 -31.235 1.00 0.00 H new ATOM 0 HD3 ARG A 116 15.527 -3.324 -29.504 1.00 0.00 H new ATOM 0 HE ARG A 116 14.172 -1.257 -31.212 1.00 0.00 H new ATOM 0 HH11 ARG A 116 14.147 -3.423 -28.394 1.00 0.00 H new ATOM 0 HH12 ARG A 116 12.627 -2.771 -27.773 1.00 0.00 H new ATOM 0 HH21 ARG A 116 12.244 -0.422 -30.368 1.00 0.00 H new ATOM 0 HH22 ARG A 116 11.560 -1.087 -28.881 1.00 0.00 H new ATOM 1921 N GLU A 117 18.258 1.187 -31.845 1.00 0.00 N ATOM 1922 CA GLU A 117 18.638 1.509 -33.233 1.00 0.00 C ATOM 1923 C GLU A 117 20.105 1.972 -33.310 1.00 0.00 C ATOM 1924 O GLU A 117 20.781 1.726 -34.310 1.00 0.00 O ATOM 1925 CB GLU A 117 17.680 2.567 -33.844 1.00 0.00 C ATOM 1926 CG GLU A 117 17.897 2.841 -35.353 1.00 0.00 C ATOM 1927 CD GLU A 117 17.901 1.556 -36.219 1.00 0.00 C ATOM 1928 OE1 GLU A 117 16.828 0.966 -36.431 1.00 0.00 O ATOM 1929 OE2 GLU A 117 18.980 1.128 -36.695 1.00 0.00 O ATOM 0 H GLU A 117 17.577 1.828 -31.437 1.00 0.00 H new ATOM 0 HA GLU A 117 18.545 0.599 -33.826 1.00 0.00 H new ATOM 0 HB2 GLU A 117 16.652 2.237 -33.693 1.00 0.00 H new ATOM 0 HB3 GLU A 117 17.798 3.503 -33.298 1.00 0.00 H new ATOM 0 HG2 GLU A 117 17.112 3.508 -35.710 1.00 0.00 H new ATOM 0 HG3 GLU A 117 18.844 3.363 -35.487 1.00 0.00 H new ATOM 1936 N LEU A 118 20.592 2.589 -32.220 1.00 0.00 N ATOM 1937 CA LEU A 118 21.968 3.113 -32.126 1.00 0.00 C ATOM 1938 C LEU A 118 22.994 1.963 -32.159 1.00 0.00 C ATOM 1939 O LEU A 118 24.005 2.054 -32.860 1.00 0.00 O ATOM 1940 CB LEU A 118 22.134 3.967 -30.842 1.00 0.00 C ATOM 1941 CG LEU A 118 23.483 4.749 -30.700 1.00 0.00 C ATOM 1942 CD1 LEU A 118 23.715 5.713 -31.896 1.00 0.00 C ATOM 1943 CD2 LEU A 118 23.546 5.510 -29.353 1.00 0.00 C ATOM 0 H LEU A 118 20.041 2.740 -31.375 1.00 0.00 H new ATOM 0 HA LEU A 118 22.154 3.753 -32.989 1.00 0.00 H new ATOM 0 HB2 LEU A 118 21.316 4.686 -30.801 1.00 0.00 H new ATOM 0 HB3 LEU A 118 22.026 3.311 -29.978 1.00 0.00 H new ATOM 0 HG LEU A 118 24.288 4.014 -30.711 1.00 0.00 H new ATOM 0 HD11 LEU A 118 24.661 6.238 -31.762 1.00 0.00 H new ATOM 0 HD12 LEU A 118 23.745 5.141 -32.824 1.00 0.00 H new ATOM 0 HD13 LEU A 118 22.902 6.437 -31.943 1.00 0.00 H new ATOM 0 HD21 LEU A 118 24.493 6.044 -29.281 1.00 0.00 H new ATOM 0 HD22 LEU A 118 22.723 6.222 -29.299 1.00 0.00 H new ATOM 0 HD23 LEU A 118 23.466 4.800 -28.530 1.00 0.00 H new ATOM 1955 N GLU A 119 22.711 0.879 -31.403 1.00 0.00 N ATOM 1956 CA GLU A 119 23.575 -0.326 -31.378 1.00 0.00 C ATOM 1957 C GLU A 119 23.432 -1.142 -32.688 1.00 0.00 C ATOM 1958 O GLU A 119 24.373 -1.812 -33.088 1.00 0.00 O ATOM 1959 CB GLU A 119 23.274 -1.220 -30.140 1.00 0.00 C ATOM 1960 CG GLU A 119 21.863 -1.836 -30.128 1.00 0.00 C ATOM 1961 CD GLU A 119 21.570 -2.726 -28.916 1.00 0.00 C ATOM 1962 OE1 GLU A 119 21.062 -2.218 -27.898 1.00 0.00 O ATOM 1963 OE2 GLU A 119 21.851 -3.946 -28.979 1.00 0.00 O ATOM 0 H GLU A 119 21.890 0.812 -30.801 1.00 0.00 H new ATOM 0 HA GLU A 119 24.607 0.017 -31.299 1.00 0.00 H new ATOM 0 HB2 GLU A 119 24.009 -2.024 -30.101 1.00 0.00 H new ATOM 0 HB3 GLU A 119 23.405 -0.624 -29.237 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.128 -1.031 -30.158 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.729 -2.424 -31.036 1.00 0.00 H new ATOM 1970 N LYS A 120 22.253 -1.059 -33.345 1.00 0.00 N ATOM 1971 CA LYS A 120 21.986 -1.758 -34.628 1.00 0.00 C ATOM 1972 C LYS A 120 22.875 -1.194 -35.761 1.00 0.00 C ATOM 1973 O LYS A 120 23.646 -1.936 -36.381 1.00 0.00 O ATOM 1974 CB LYS A 120 20.480 -1.652 -35.017 1.00 0.00 C ATOM 1975 CG LYS A 120 19.532 -2.518 -34.167 1.00 0.00 C ATOM 1976 CD LYS A 120 18.020 -2.268 -34.441 1.00 0.00 C ATOM 1977 CE LYS A 120 17.534 -2.694 -35.847 1.00 0.00 C ATOM 1978 NZ LYS A 120 18.016 -1.802 -36.940 1.00 0.00 N ATOM 0 H LYS A 120 21.463 -0.510 -33.006 1.00 0.00 H new ATOM 0 HA LYS A 120 22.232 -2.811 -34.490 1.00 0.00 H new ATOM 0 HB2 LYS A 120 20.170 -0.610 -34.934 1.00 0.00 H new ATOM 0 HB3 LYS A 120 20.369 -1.936 -36.064 1.00 0.00 H new ATOM 0 HG2 LYS A 120 19.754 -3.569 -34.352 1.00 0.00 H new ATOM 0 HG3 LYS A 120 19.734 -2.330 -33.113 1.00 0.00 H new ATOM 0 HD2 LYS A 120 17.436 -2.804 -33.693 1.00 0.00 H new ATOM 0 HD3 LYS A 120 17.812 -1.207 -34.307 1.00 0.00 H new ATOM 0 HE2 LYS A 120 17.869 -3.712 -36.045 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.444 -2.710 -35.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.218 -1.546 -37.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 18.426 -0.940 -36.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 18.740 -2.297 -37.499 1.00 0.00 H new ATOM 1992 N ARG A 121 22.763 0.131 -35.993 1.00 0.00 N ATOM 1993 CA ARG A 121 23.548 0.858 -37.024 1.00 0.00 C ATOM 1994 C ARG A 121 25.057 0.819 -36.697 1.00 0.00 C ATOM 1995 O ARG A 121 25.890 0.819 -37.609 1.00 0.00 O ATOM 1996 CB ARG A 121 23.051 2.325 -37.162 1.00 0.00 C ATOM 1997 CG ARG A 121 23.134 3.152 -35.863 1.00 0.00 C ATOM 1998 CD ARG A 121 22.568 4.572 -36.004 1.00 0.00 C ATOM 1999 NE ARG A 121 23.436 5.426 -36.834 1.00 0.00 N ATOM 2000 CZ ARG A 121 23.097 6.010 -37.990 1.00 0.00 C ATOM 2001 NH1 ARG A 121 21.952 5.726 -38.591 1.00 0.00 N ATOM 2002 NH2 ARG A 121 23.937 6.854 -38.558 1.00 0.00 N ATOM 0 H ARG A 121 22.125 0.732 -35.471 1.00 0.00 H new ATOM 0 HA ARG A 121 23.397 0.356 -37.980 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.638 2.823 -37.933 1.00 0.00 H new ATOM 0 HB3 ARG A 121 22.017 2.314 -37.506 1.00 0.00 H new ATOM 0 HG2 ARG A 121 22.592 2.630 -35.074 1.00 0.00 H new ATOM 0 HG3 ARG A 121 24.175 3.214 -35.547 1.00 0.00 H new ATOM 0 HD2 ARG A 121 21.573 4.525 -36.447 1.00 0.00 H new ATOM 0 HD3 ARG A 121 22.456 5.019 -35.016 1.00 0.00 H new ATOM 0 HE ARG A 121 24.385 5.587 -36.496 1.00 0.00 H new ATOM 0 HH11 ARG A 121 21.310 5.052 -38.174 1.00 0.00 H new ATOM 0 HH12 ARG A 121 21.711 6.181 -39.471 1.00 0.00 H new ATOM 0 HH21 ARG A 121 24.834 7.056 -38.116 1.00 0.00 H new ATOM 0 HH22 ARG A 121 23.689 7.305 -39.439 1.00 0.00 H new ATOM 2016 N LEU A 122 25.382 0.757 -35.392 1.00 0.00 N ATOM 2017 CA LEU A 122 26.758 0.586 -34.905 1.00 0.00 C ATOM 2018 C LEU A 122 27.319 -0.774 -35.361 1.00 0.00 C ATOM 2019 O LEU A 122 28.383 -0.833 -35.955 1.00 0.00 O ATOM 2020 CB LEU A 122 26.793 0.711 -33.361 1.00 0.00 C ATOM 2021 CG LEU A 122 28.167 0.461 -32.666 1.00 0.00 C ATOM 2022 CD1 LEU A 122 29.260 1.448 -33.159 1.00 0.00 C ATOM 2023 CD2 LEU A 122 28.010 0.502 -31.127 1.00 0.00 C ATOM 0 H LEU A 122 24.691 0.825 -34.644 1.00 0.00 H new ATOM 0 HA LEU A 122 27.386 1.370 -35.327 1.00 0.00 H new ATOM 0 HB2 LEU A 122 26.454 1.712 -33.093 1.00 0.00 H new ATOM 0 HB3 LEU A 122 26.070 0.008 -32.947 1.00 0.00 H new ATOM 0 HG LEU A 122 28.505 -0.537 -32.947 1.00 0.00 H new ATOM 0 HD11 LEU A 122 30.199 1.236 -32.648 1.00 0.00 H new ATOM 0 HD12 LEU A 122 29.398 1.331 -34.234 1.00 0.00 H new ATOM 0 HD13 LEU A 122 28.951 2.471 -32.942 1.00 0.00 H new ATOM 0 HD21 LEU A 122 28.978 0.326 -30.658 1.00 0.00 H new ATOM 0 HD22 LEU A 122 27.633 1.479 -30.826 1.00 0.00 H new ATOM 0 HD23 LEU A 122 27.308 -0.270 -30.812 1.00 0.00 H new ATOM 2035 N GLN A 123 26.557 -1.849 -35.107 1.00 0.00 N ATOM 2036 CA GLN A 123 26.959 -3.234 -35.455 1.00 0.00 C ATOM 2037 C GLN A 123 26.752 -3.540 -36.953 1.00 0.00 C ATOM 2038 O GLN A 123 27.106 -4.628 -37.419 1.00 0.00 O ATOM 2039 CB GLN A 123 26.193 -4.249 -34.562 1.00 0.00 C ATOM 2040 CG GLN A 123 26.511 -4.123 -33.052 1.00 0.00 C ATOM 2041 CD GLN A 123 27.971 -4.430 -32.700 1.00 0.00 C ATOM 2042 OE1 GLN A 123 28.624 -5.255 -33.341 1.00 0.00 O ATOM 2043 NE2 GLN A 123 28.499 -3.761 -31.686 1.00 0.00 N ATOM 0 H GLN A 123 25.644 -1.790 -34.655 1.00 0.00 H new ATOM 0 HA GLN A 123 28.027 -3.332 -35.263 1.00 0.00 H new ATOM 0 HB2 GLN A 123 25.122 -4.112 -34.710 1.00 0.00 H new ATOM 0 HB3 GLN A 123 26.433 -5.260 -34.890 1.00 0.00 H new ATOM 0 HG2 GLN A 123 26.273 -3.112 -32.723 1.00 0.00 H new ATOM 0 HG3 GLN A 123 25.863 -4.800 -32.496 1.00 0.00 H new ATOM 0 HE21 GLN A 123 27.935 -3.084 -31.173 1.00 0.00 H new ATOM 0 HE22 GLN A 123 29.470 -3.923 -31.418 1.00 0.00 H new