USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=19 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 49 HIS : no HD1:sc= -0.411 X(o=-3.7,f=-3.4) USER MOD Set 1.2: A 52 GLN : amide:sc= -3.33 K(o=-3.7,f=-2.9!) USER MOD Single : A 24 MET CE :methyl -145:sc= -0.137 (180deg=-1.66) USER MOD Single : A 25 SER OG : rot 170:sc= -0.167 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 0.728 (180deg=0.562) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.435 X(o=0.44,f=-0.014) USER MOD Single : A 38 LYS NZ :NH3+ -125:sc= -0.267 (180deg=-1.29!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.34 K(o=-1.3,f=-7.2!) USER MOD Single : A 72 THR OG1 : rot -7:sc= 0.279 USER MOD Single : A 74 LYS NZ :NH3+ -139:sc= 0.61 (180deg=0.0035) USER MOD Single : A 76 SER OG : rot -77:sc= 0.579 USER MOD Single : A 77 THR OG1 : rot 170:sc=-0.00037 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.0006 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot -28:sc= -1.91! USER MOD Single : A 106 THR OG1 : rot 24:sc= 0.137 USER MOD Single : A 107 LYS NZ :NH3+ 172:sc=-0.00498 (180deg=-0.0661) USER MOD Single : A 114 LYS NZ :NH3+ -123:sc= 0.689 (180deg=-0.761) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -161:sc= -0.101 (180deg=-0.44) USER MOD Single : A 123 GLN : amide:sc= 0.237 X(o=0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 296 N ARG A 22 -8.835 27.677 -18.856 1.00 0.00 N ATOM 297 CA ARG A 22 -10.203 28.218 -18.905 1.00 0.00 C ATOM 298 C ARG A 22 -10.917 28.019 -17.542 1.00 0.00 C ATOM 299 O ARG A 22 -10.549 27.107 -16.796 1.00 0.00 O ATOM 300 CB ARG A 22 -11.005 27.497 -20.036 1.00 0.00 C ATOM 301 CG ARG A 22 -10.573 27.857 -21.475 1.00 0.00 C ATOM 302 CD ARG A 22 -10.826 29.343 -21.803 1.00 0.00 C ATOM 303 NE ARG A 22 -10.459 29.678 -23.184 1.00 0.00 N ATOM 304 CZ ARG A 22 -10.130 30.902 -23.627 1.00 0.00 C ATOM 305 NH1 ARG A 22 -10.058 31.934 -22.793 1.00 0.00 N ATOM 306 NH2 ARG A 22 -9.879 31.076 -24.908 1.00 0.00 N ATOM 0 HA ARG A 22 -10.154 29.286 -19.115 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.905 26.420 -19.902 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.062 27.736 -19.920 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.514 27.634 -21.601 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.117 27.232 -22.183 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.879 29.574 -21.643 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.255 29.967 -21.116 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.453 28.918 -23.864 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.254 31.802 -21.801 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.807 32.858 -23.145 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.936 30.286 -25.551 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.628 32.001 -25.257 1.00 0.00 H new ATOM 320 N PRO A 23 -11.939 28.874 -17.195 1.00 0.00 N ATOM 321 CA PRO A 23 -12.784 28.663 -15.992 1.00 0.00 C ATOM 322 C PRO A 23 -13.543 27.324 -16.097 1.00 0.00 C ATOM 323 O PRO A 23 -14.329 27.136 -17.038 1.00 0.00 O ATOM 324 CB PRO A 23 -13.762 29.876 -15.985 1.00 0.00 C ATOM 325 CG PRO A 23 -13.123 30.884 -16.891 1.00 0.00 C ATOM 326 CD PRO A 23 -12.357 30.092 -17.933 1.00 0.00 C ATOM 0 HA PRO A 23 -12.203 28.608 -15.071 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -14.750 29.590 -16.345 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.892 30.274 -14.979 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.876 31.518 -17.360 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.455 31.541 -16.333 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.982 29.848 -18.792 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.499 30.648 -18.311 1.00 0.00 H new ATOM 334 N MET A 24 -13.258 26.407 -15.166 1.00 0.00 N ATOM 335 CA MET A 24 -13.900 25.075 -15.115 1.00 0.00 C ATOM 336 C MET A 24 -15.407 25.204 -14.826 1.00 0.00 C ATOM 337 O MET A 24 -15.843 26.195 -14.224 1.00 0.00 O ATOM 338 CB MET A 24 -13.189 24.180 -14.066 1.00 0.00 C ATOM 339 CG MET A 24 -11.769 23.751 -14.484 1.00 0.00 C ATOM 340 SD MET A 24 -10.801 23.079 -13.118 1.00 0.00 S ATOM 341 CE MET A 24 -10.585 24.539 -12.099 1.00 0.00 C ATOM 0 H MET A 24 -12.576 26.561 -14.423 1.00 0.00 H new ATOM 0 HA MET A 24 -13.798 24.597 -16.089 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.133 24.718 -13.119 1.00 0.00 H new ATOM 0 HB3 MET A 24 -13.792 23.289 -13.892 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.840 23.003 -15.274 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.246 24.610 -14.904 1.00 0.00 H new ATOM 0 HE1 MET A 24 -9.604 24.510 -11.626 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.662 25.431 -12.720 1.00 0.00 H new ATOM 0 HE3 MET A 24 -11.358 24.564 -11.331 1.00 0.00 H new ATOM 351 N SER A 25 -16.174 24.186 -15.259 1.00 0.00 N ATOM 352 CA SER A 25 -17.634 24.214 -15.262 1.00 0.00 C ATOM 353 C SER A 25 -18.218 24.506 -13.870 1.00 0.00 C ATOM 354 O SER A 25 -17.805 23.903 -12.863 1.00 0.00 O ATOM 355 CB SER A 25 -18.193 22.883 -15.811 1.00 0.00 C ATOM 356 OG SER A 25 -19.616 22.858 -15.785 1.00 0.00 O ATOM 0 H SER A 25 -15.785 23.315 -15.619 1.00 0.00 H new ATOM 0 HA SER A 25 -17.939 25.032 -15.915 1.00 0.00 H new ATOM 0 HB2 SER A 25 -17.845 22.737 -16.834 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.804 22.054 -15.220 1.00 0.00 H new ATOM 0 HG SER A 25 -19.939 22.078 -16.283 1.00 0.00 H new ATOM 362 N TYR A 26 -19.196 25.433 -13.851 1.00 0.00 N ATOM 363 CA TYR A 26 -19.957 25.797 -12.652 1.00 0.00 C ATOM 364 C TYR A 26 -20.610 24.547 -12.049 1.00 0.00 C ATOM 365 O TYR A 26 -20.650 24.403 -10.842 1.00 0.00 O ATOM 366 CB TYR A 26 -21.045 26.869 -12.999 1.00 0.00 C ATOM 367 CG TYR A 26 -22.259 26.315 -13.797 1.00 0.00 C ATOM 368 CD1 TYR A 26 -22.183 26.071 -15.176 1.00 0.00 C ATOM 369 CD2 TYR A 26 -23.466 26.001 -13.155 1.00 0.00 C ATOM 370 CE1 TYR A 26 -23.251 25.532 -15.869 1.00 0.00 C ATOM 371 CE2 TYR A 26 -24.528 25.471 -13.855 1.00 0.00 C ATOM 372 CZ TYR A 26 -24.416 25.243 -15.202 1.00 0.00 C ATOM 373 OH TYR A 26 -25.471 24.702 -15.887 1.00 0.00 O ATOM 0 H TYR A 26 -19.479 25.953 -14.681 1.00 0.00 H new ATOM 0 HA TYR A 26 -19.275 26.227 -11.919 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -21.407 27.315 -12.073 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.580 27.668 -13.577 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -21.273 26.309 -15.707 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -23.565 26.178 -12.094 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -23.170 25.339 -16.929 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -25.449 25.235 -13.342 1.00 0.00 H new ATOM 0 HH TYR A 26 -26.220 24.555 -15.272 1.00 0.00 H new ATOM 383 N ASP A 27 -21.048 23.641 -12.957 1.00 0.00 N ATOM 384 CA ASP A 27 -21.853 22.442 -12.672 1.00 0.00 C ATOM 385 C ASP A 27 -21.118 21.462 -11.736 1.00 0.00 C ATOM 386 O ASP A 27 -21.734 20.874 -10.838 1.00 0.00 O ATOM 387 CB ASP A 27 -22.210 21.788 -14.032 1.00 0.00 C ATOM 388 CG ASP A 27 -23.023 20.497 -13.918 1.00 0.00 C ATOM 389 OD1 ASP A 27 -24.225 20.565 -13.599 1.00 0.00 O ATOM 390 OD2 ASP A 27 -22.458 19.400 -14.128 1.00 0.00 O ATOM 0 H ASP A 27 -20.837 23.736 -13.950 1.00 0.00 H new ATOM 0 HA ASP A 27 -22.763 22.721 -12.140 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -22.772 22.505 -14.630 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.288 21.576 -14.573 1.00 0.00 H new ATOM 395 N GLU A 28 -19.799 21.324 -11.943 1.00 0.00 N ATOM 396 CA GLU A 28 -18.940 20.436 -11.132 1.00 0.00 C ATOM 397 C GLU A 28 -18.860 20.966 -9.687 1.00 0.00 C ATOM 398 O GLU A 28 -19.155 20.259 -8.725 1.00 0.00 O ATOM 399 CB GLU A 28 -17.512 20.377 -11.735 1.00 0.00 C ATOM 400 CG GLU A 28 -17.431 20.076 -13.245 1.00 0.00 C ATOM 401 CD GLU A 28 -15.992 20.169 -13.797 1.00 0.00 C ATOM 402 OE1 GLU A 28 -15.431 21.288 -13.832 1.00 0.00 O ATOM 403 OE2 GLU A 28 -15.418 19.129 -14.203 1.00 0.00 O ATOM 0 H GLU A 28 -19.295 21.823 -12.676 1.00 0.00 H new ATOM 0 HA GLU A 28 -19.372 19.435 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -17.020 21.331 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -16.944 19.615 -11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.824 19.077 -13.433 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -18.068 20.776 -13.785 1.00 0.00 H new ATOM 410 N LYS A 29 -18.450 22.245 -9.585 1.00 0.00 N ATOM 411 CA LYS A 29 -18.320 22.987 -8.319 1.00 0.00 C ATOM 412 C LYS A 29 -19.696 23.198 -7.635 1.00 0.00 C ATOM 413 O LYS A 29 -19.760 23.418 -6.421 1.00 0.00 O ATOM 414 CB LYS A 29 -17.597 24.353 -8.544 1.00 0.00 C ATOM 415 CG LYS A 29 -16.040 24.337 -8.646 1.00 0.00 C ATOM 416 CD LYS A 29 -15.447 23.701 -9.946 1.00 0.00 C ATOM 417 CE LYS A 29 -15.089 22.208 -9.803 1.00 0.00 C ATOM 418 NZ LYS A 29 -14.359 21.690 -10.997 1.00 0.00 N ATOM 0 H LYS A 29 -18.194 22.802 -10.400 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.709 22.383 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.989 24.794 -9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.873 25.018 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.680 25.363 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.644 23.795 -7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.167 23.816 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.552 24.253 -10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.475 22.066 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.001 21.629 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.433 20.653 -11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.777 22.091 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.358 21.964 -10.937 1.00 0.00 H new ATOM 432 N ARG A 30 -20.784 23.144 -8.430 1.00 0.00 N ATOM 433 CA ARG A 30 -22.172 23.295 -7.937 1.00 0.00 C ATOM 434 C ARG A 30 -22.609 22.027 -7.187 1.00 0.00 C ATOM 435 O ARG A 30 -23.399 22.093 -6.237 1.00 0.00 O ATOM 436 CB ARG A 30 -23.121 23.600 -9.123 1.00 0.00 C ATOM 437 CG ARG A 30 -24.585 23.917 -8.751 1.00 0.00 C ATOM 438 CD ARG A 30 -25.419 24.315 -9.984 1.00 0.00 C ATOM 439 NE ARG A 30 -26.831 24.539 -9.641 1.00 0.00 N ATOM 440 CZ ARG A 30 -27.861 23.773 -10.032 1.00 0.00 C ATOM 441 NH1 ARG A 30 -27.653 22.659 -10.716 1.00 0.00 N ATOM 442 NH2 ARG A 30 -29.090 24.110 -9.714 1.00 0.00 N ATOM 0 H ARG A 30 -20.726 22.994 -9.437 1.00 0.00 H new ATOM 0 HA ARG A 30 -22.218 24.131 -7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -22.716 24.446 -9.679 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -23.115 22.744 -9.797 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.035 23.046 -8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -24.607 24.727 -8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -25.004 25.221 -10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -25.348 23.531 -10.738 1.00 0.00 H new ATOM 0 HE ARG A 30 -27.046 25.346 -9.056 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.702 22.375 -10.951 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -28.444 22.085 -11.008 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -29.262 24.955 -9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -29.872 23.527 -10.012 1.00 0.00 H new ATOM 456 N GLN A 31 -22.078 20.866 -7.624 1.00 0.00 N ATOM 457 CA GLN A 31 -22.203 19.606 -6.869 1.00 0.00 C ATOM 458 C GLN A 31 -21.416 19.721 -5.554 1.00 0.00 C ATOM 459 O GLN A 31 -21.900 19.319 -4.496 1.00 0.00 O ATOM 460 CB GLN A 31 -21.677 18.399 -7.689 1.00 0.00 C ATOM 461 CG GLN A 31 -22.385 18.162 -9.034 1.00 0.00 C ATOM 462 CD GLN A 31 -21.842 16.934 -9.783 1.00 0.00 C ATOM 463 OE1 GLN A 31 -20.887 17.033 -10.548 1.00 0.00 O ATOM 464 NE2 GLN A 31 -22.460 15.780 -9.578 1.00 0.00 N ATOM 0 H GLN A 31 -21.558 20.777 -8.497 1.00 0.00 H new ATOM 0 HA GLN A 31 -23.259 19.435 -6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -20.613 18.544 -7.877 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -21.773 17.499 -7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.453 18.033 -8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -22.269 19.046 -9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -23.251 15.732 -8.935 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.145 14.940 -10.063 1.00 0.00 H new ATOM 473 N LEU A 32 -20.204 20.319 -5.646 1.00 0.00 N ATOM 474 CA LEU A 32 -19.308 20.502 -4.485 1.00 0.00 C ATOM 475 C LEU A 32 -19.913 21.489 -3.475 1.00 0.00 C ATOM 476 O LEU A 32 -19.552 21.457 -2.310 1.00 0.00 O ATOM 477 CB LEU A 32 -17.894 21.005 -4.916 1.00 0.00 C ATOM 478 CG LEU A 32 -17.185 20.244 -6.084 1.00 0.00 C ATOM 479 CD1 LEU A 32 -15.726 20.731 -6.282 1.00 0.00 C ATOM 480 CD2 LEU A 32 -17.254 18.715 -5.920 1.00 0.00 C ATOM 0 H LEU A 32 -19.825 20.684 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.198 19.525 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.982 22.053 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.242 20.966 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.739 20.485 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.266 20.179 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.726 21.796 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.158 20.561 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.747 18.236 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.767 18.427 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.297 18.398 -5.898 1.00 0.00 H new ATOM 492 N SER A 33 -20.835 22.363 -3.945 1.00 0.00 N ATOM 493 CA SER A 33 -21.525 23.354 -3.093 1.00 0.00 C ATOM 494 C SER A 33 -22.341 22.663 -1.981 1.00 0.00 C ATOM 495 O SER A 33 -22.440 23.191 -0.873 1.00 0.00 O ATOM 496 CB SER A 33 -22.421 24.277 -3.949 1.00 0.00 C ATOM 497 OG SER A 33 -23.029 25.306 -3.172 1.00 0.00 O ATOM 0 H SER A 33 -21.119 22.399 -4.924 1.00 0.00 H new ATOM 0 HA SER A 33 -20.767 23.970 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 33 -21.824 24.727 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 33 -23.196 23.682 -4.432 1.00 0.00 H new ATOM 0 HG SER A 33 -23.585 25.868 -3.751 1.00 0.00 H new ATOM 503 N LEU A 34 -22.884 21.469 -2.287 1.00 0.00 N ATOM 504 CA LEU A 34 -23.609 20.622 -1.312 1.00 0.00 C ATOM 505 C LEU A 34 -22.657 20.129 -0.199 1.00 0.00 C ATOM 506 O LEU A 34 -23.037 20.036 0.978 1.00 0.00 O ATOM 507 CB LEU A 34 -24.251 19.413 -2.050 1.00 0.00 C ATOM 508 CG LEU A 34 -25.199 19.760 -3.251 1.00 0.00 C ATOM 509 CD1 LEU A 34 -25.637 18.477 -4.003 1.00 0.00 C ATOM 510 CD2 LEU A 34 -26.428 20.593 -2.787 1.00 0.00 C ATOM 0 H LEU A 34 -22.834 21.061 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 34 -24.394 21.216 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -23.450 18.772 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -24.817 18.829 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 34 -24.634 20.379 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -26.293 18.746 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -24.757 17.964 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -26.169 17.817 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -27.062 20.815 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -26.997 20.023 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -26.087 21.526 -2.337 1.00 0.00 H new ATOM 522 N ASP A 35 -21.407 19.823 -0.606 1.00 0.00 N ATOM 523 CA ASP A 35 -20.317 19.400 0.307 1.00 0.00 C ATOM 524 C ASP A 35 -19.827 20.593 1.156 1.00 0.00 C ATOM 525 O ASP A 35 -19.372 20.415 2.288 1.00 0.00 O ATOM 526 CB ASP A 35 -19.146 18.787 -0.513 1.00 0.00 C ATOM 527 CG ASP A 35 -18.086 18.091 0.357 1.00 0.00 C ATOM 528 OD1 ASP A 35 -18.293 16.908 0.720 1.00 0.00 O ATOM 529 OD2 ASP A 35 -17.067 18.721 0.726 1.00 0.00 O ATOM 0 H ASP A 35 -21.121 19.862 -1.584 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.701 18.639 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.549 18.067 -1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.667 19.576 -1.093 1.00 0.00 H new ATOM 534 N ILE A 36 -19.924 21.811 0.585 1.00 0.00 N ATOM 535 CA ILE A 36 -19.597 23.070 1.294 1.00 0.00 C ATOM 536 C ILE A 36 -20.663 23.342 2.387 1.00 0.00 C ATOM 537 O ILE A 36 -20.343 23.844 3.468 1.00 0.00 O ATOM 538 CB ILE A 36 -19.497 24.292 0.289 1.00 0.00 C ATOM 539 CG1 ILE A 36 -18.403 24.029 -0.802 1.00 0.00 C ATOM 540 CG2 ILE A 36 -19.220 25.635 1.020 1.00 0.00 C ATOM 541 CD1 ILE A 36 -18.311 25.079 -1.905 1.00 0.00 C ATOM 0 H ILE A 36 -20.230 21.952 -0.378 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.620 22.959 1.765 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.468 24.381 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.433 23.958 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.598 23.060 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.160 26.441 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -20.028 25.841 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.277 25.566 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.524 24.802 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -19.263 25.137 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -18.080 26.049 -1.465 1.00 0.00 H new ATOM 553 N ASN A 37 -21.930 22.961 2.099 1.00 0.00 N ATOM 554 CA ASN A 37 -23.052 23.091 3.065 1.00 0.00 C ATOM 555 C ASN A 37 -22.889 22.141 4.268 1.00 0.00 C ATOM 556 O ASN A 37 -23.449 22.408 5.336 1.00 0.00 O ATOM 557 CB ASN A 37 -24.431 22.848 2.379 1.00 0.00 C ATOM 558 CG ASN A 37 -24.960 24.063 1.597 1.00 0.00 C ATOM 559 OD1 ASN A 37 -25.549 24.973 2.180 1.00 0.00 O ATOM 560 ND2 ASN A 37 -24.786 24.073 0.289 1.00 0.00 N ATOM 0 H ASN A 37 -22.204 22.559 1.202 1.00 0.00 H new ATOM 0 HA ASN A 37 -23.024 24.116 3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -24.343 22.001 1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -25.161 22.572 3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -25.144 24.850 -0.267 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -24.294 23.304 -0.166 1.00 0.00 H new ATOM 567 N LYS A 38 -22.145 21.022 4.095 1.00 0.00 N ATOM 568 CA LYS A 38 -21.925 20.046 5.191 1.00 0.00 C ATOM 569 C LYS A 38 -20.864 20.570 6.184 1.00 0.00 C ATOM 570 O LYS A 38 -20.851 20.162 7.351 1.00 0.00 O ATOM 571 CB LYS A 38 -21.526 18.628 4.642 1.00 0.00 C ATOM 572 CG LYS A 38 -20.006 18.328 4.590 1.00 0.00 C ATOM 573 CD LYS A 38 -19.678 16.929 4.025 1.00 0.00 C ATOM 574 CE LYS A 38 -18.177 16.597 4.135 1.00 0.00 C ATOM 575 NZ LYS A 38 -17.319 17.594 3.440 1.00 0.00 N ATOM 0 H LYS A 38 -21.691 20.774 3.216 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.870 19.933 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.006 17.871 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -21.933 18.521 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.514 19.084 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.592 18.413 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.256 16.177 4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.984 16.880 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.895 16.551 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.995 15.609 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.707 17.107 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.920 18.281 2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.730 18.092 4.138 1.00 0.00 H new ATOM 589 N LEU A 39 -19.977 21.472 5.697 1.00 0.00 N ATOM 590 CA LEU A 39 -18.899 22.063 6.517 1.00 0.00 C ATOM 591 C LEU A 39 -19.502 22.844 7.705 1.00 0.00 C ATOM 592 O LEU A 39 -20.482 23.574 7.501 1.00 0.00 O ATOM 593 CB LEU A 39 -18.001 23.004 5.660 1.00 0.00 C ATOM 594 CG LEU A 39 -17.354 22.367 4.379 1.00 0.00 C ATOM 595 CD1 LEU A 39 -16.466 23.387 3.625 1.00 0.00 C ATOM 596 CD2 LEU A 39 -16.568 21.070 4.708 1.00 0.00 C ATOM 0 H LEU A 39 -19.991 21.806 4.733 1.00 0.00 H new ATOM 0 HA LEU A 39 -18.279 21.253 6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -18.599 23.861 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -17.201 23.385 6.294 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.173 22.087 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.034 22.912 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.072 24.240 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.666 23.728 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.137 20.663 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.770 21.298 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -17.244 20.337 5.148 1.00 0.00 H new ATOM 608 N PRO A 40 -18.946 22.701 8.960 1.00 0.00 N ATOM 609 CA PRO A 40 -19.499 23.381 10.158 1.00 0.00 C ATOM 610 C PRO A 40 -19.403 24.907 10.011 1.00 0.00 C ATOM 611 O PRO A 40 -18.519 25.386 9.305 1.00 0.00 O ATOM 612 CB PRO A 40 -18.625 22.857 11.340 1.00 0.00 C ATOM 613 CG PRO A 40 -17.900 21.657 10.788 1.00 0.00 C ATOM 614 CD PRO A 40 -17.726 21.924 9.307 1.00 0.00 C ATOM 0 HA PRO A 40 -20.557 23.169 10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -17.924 23.619 11.681 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.242 22.586 12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.935 21.524 11.277 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.471 20.744 10.956 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.816 22.489 9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -17.661 20.998 8.735 1.00 0.00 H new ATOM 622 N GLY A 41 -20.308 25.650 10.671 1.00 0.00 N ATOM 623 CA GLY A 41 -20.418 27.113 10.506 1.00 0.00 C ATOM 624 C GLY A 41 -19.128 27.872 10.833 1.00 0.00 C ATOM 625 O GLY A 41 -18.807 28.876 10.181 1.00 0.00 O ATOM 0 H GLY A 41 -20.981 25.258 11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -20.707 27.332 9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -21.218 27.482 11.148 1.00 0.00 H new ATOM 629 N GLU A 42 -18.388 27.364 11.837 1.00 0.00 N ATOM 630 CA GLU A 42 -17.086 27.921 12.258 1.00 0.00 C ATOM 631 C GLU A 42 -16.004 27.788 11.160 1.00 0.00 C ATOM 632 O GLU A 42 -15.015 28.523 11.171 1.00 0.00 O ATOM 633 CB GLU A 42 -16.640 27.276 13.608 1.00 0.00 C ATOM 634 CG GLU A 42 -16.711 25.724 13.693 1.00 0.00 C ATOM 635 CD GLU A 42 -15.548 24.980 13.009 1.00 0.00 C ATOM 636 OE1 GLU A 42 -14.432 24.970 13.562 1.00 0.00 O ATOM 637 OE2 GLU A 42 -15.748 24.389 11.934 1.00 0.00 O ATOM 0 H GLU A 42 -18.677 26.552 12.382 1.00 0.00 H new ATOM 0 HA GLU A 42 -17.213 28.992 12.417 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.613 27.582 13.810 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -17.258 27.690 14.405 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.740 25.434 14.743 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -17.648 25.393 13.245 1.00 0.00 H new ATOM 644 N LYS A 43 -16.202 26.825 10.244 1.00 0.00 N ATOM 645 CA LYS A 43 -15.358 26.644 9.040 1.00 0.00 C ATOM 646 C LYS A 43 -15.965 27.407 7.844 1.00 0.00 C ATOM 647 O LYS A 43 -15.247 28.043 7.058 1.00 0.00 O ATOM 648 CB LYS A 43 -15.285 25.119 8.696 1.00 0.00 C ATOM 649 CG LYS A 43 -14.369 24.724 7.508 1.00 0.00 C ATOM 650 CD LYS A 43 -12.862 24.842 7.844 1.00 0.00 C ATOM 651 CE LYS A 43 -11.956 24.326 6.706 1.00 0.00 C ATOM 652 NZ LYS A 43 -10.530 24.253 7.122 1.00 0.00 N ATOM 0 H LYS A 43 -16.957 26.143 10.314 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.360 27.034 9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.944 24.584 9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.294 24.768 8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.591 23.699 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.596 25.361 6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.621 25.885 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.652 24.280 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.294 23.338 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.049 24.984 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.955 23.902 6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.200 25.200 7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.437 23.606 7.931 1.00 0.00 H new ATOM 666 N LEU A 44 -17.307 27.400 7.796 1.00 0.00 N ATOM 667 CA LEU A 44 -18.103 27.762 6.614 1.00 0.00 C ATOM 668 C LEU A 44 -18.077 29.269 6.336 1.00 0.00 C ATOM 669 O LEU A 44 -17.790 29.681 5.213 1.00 0.00 O ATOM 670 CB LEU A 44 -19.562 27.252 6.795 1.00 0.00 C ATOM 671 CG LEU A 44 -20.559 27.514 5.614 1.00 0.00 C ATOM 672 CD1 LEU A 44 -20.007 26.969 4.280 1.00 0.00 C ATOM 673 CD2 LEU A 44 -21.960 26.917 5.920 1.00 0.00 C ATOM 0 H LEU A 44 -17.881 27.136 8.597 1.00 0.00 H new ATOM 0 HA LEU A 44 -17.657 27.280 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -19.525 26.178 6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -19.973 27.712 7.694 1.00 0.00 H new ATOM 0 HG LEU A 44 -20.669 28.594 5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -20.723 27.167 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.062 27.460 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.846 25.894 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -22.630 27.114 5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -21.872 25.841 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -22.362 27.377 6.823 1.00 0.00 H new ATOM 685 N GLY A 45 -18.369 30.075 7.375 1.00 0.00 N ATOM 686 CA GLY A 45 -18.412 31.534 7.243 1.00 0.00 C ATOM 687 C GLY A 45 -17.054 32.149 6.890 1.00 0.00 C ATOM 688 O GLY A 45 -17.000 33.231 6.301 1.00 0.00 O ATOM 0 H GLY A 45 -18.578 29.735 8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.136 31.801 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -18.767 31.967 8.178 1.00 0.00 H new ATOM 692 N ARG A 46 -15.961 31.411 7.196 1.00 0.00 N ATOM 693 CA ARG A 46 -14.577 31.841 6.899 1.00 0.00 C ATOM 694 C ARG A 46 -14.232 31.520 5.425 1.00 0.00 C ATOM 695 O ARG A 46 -13.490 32.267 4.772 1.00 0.00 O ATOM 696 CB ARG A 46 -13.578 31.150 7.872 1.00 0.00 C ATOM 697 CG ARG A 46 -13.976 31.269 9.366 1.00 0.00 C ATOM 698 CD ARG A 46 -12.901 30.737 10.335 1.00 0.00 C ATOM 699 NE ARG A 46 -11.704 31.603 10.359 1.00 0.00 N ATOM 700 CZ ARG A 46 -11.350 32.425 11.366 1.00 0.00 C ATOM 701 NH1 ARG A 46 -12.094 32.527 12.462 1.00 0.00 N ATOM 702 NH2 ARG A 46 -10.245 33.150 11.257 1.00 0.00 N ATOM 0 H ARG A 46 -16.015 30.502 7.655 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.496 32.918 7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.500 30.095 7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.589 31.587 7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.177 32.315 9.598 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.904 30.722 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.319 30.668 11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.613 29.728 10.040 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.093 31.576 9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.949 31.978 12.551 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.810 33.155 13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.672 33.082 10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.969 33.775 12.014 1.00 0.00 H new ATOM 716 N VAL A 47 -14.798 30.398 4.924 1.00 0.00 N ATOM 717 CA VAL A 47 -14.736 30.013 3.498 1.00 0.00 C ATOM 718 C VAL A 47 -15.460 31.068 2.630 1.00 0.00 C ATOM 719 O VAL A 47 -14.968 31.457 1.571 1.00 0.00 O ATOM 720 CB VAL A 47 -15.369 28.572 3.277 1.00 0.00 C ATOM 721 CG1 VAL A 47 -15.651 28.263 1.783 1.00 0.00 C ATOM 722 CG2 VAL A 47 -14.473 27.477 3.910 1.00 0.00 C ATOM 0 H VAL A 47 -15.312 29.733 5.501 1.00 0.00 H new ATOM 0 HA VAL A 47 -13.690 29.971 3.194 1.00 0.00 H new ATOM 0 HB VAL A 47 -16.335 28.571 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.083 27.266 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.350 28.998 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.719 28.307 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -14.925 26.498 3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.486 27.503 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.377 27.659 4.980 1.00 0.00 H new ATOM 732 N VAL A 48 -16.619 31.540 3.119 1.00 0.00 N ATOM 733 CA VAL A 48 -17.416 32.576 2.441 1.00 0.00 C ATOM 734 C VAL A 48 -16.625 33.903 2.355 1.00 0.00 C ATOM 735 O VAL A 48 -16.658 34.575 1.322 1.00 0.00 O ATOM 736 CB VAL A 48 -18.800 32.790 3.172 1.00 0.00 C ATOM 737 CG1 VAL A 48 -19.629 33.935 2.541 1.00 0.00 C ATOM 738 CG2 VAL A 48 -19.618 31.474 3.196 1.00 0.00 C ATOM 0 H VAL A 48 -17.029 31.215 3.994 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.622 32.237 1.426 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.575 33.084 4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -20.571 34.042 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.068 34.867 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.833 33.703 1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -20.567 31.645 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -19.807 31.145 2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -19.056 30.706 3.726 1.00 0.00 H new ATOM 748 N HIS A 49 -15.876 34.238 3.434 1.00 0.00 N ATOM 749 CA HIS A 49 -15.096 35.502 3.539 1.00 0.00 C ATOM 750 C HIS A 49 -14.085 35.687 2.393 1.00 0.00 C ATOM 751 O HIS A 49 -13.926 36.804 1.888 1.00 0.00 O ATOM 752 CB HIS A 49 -14.344 35.582 4.893 1.00 0.00 C ATOM 753 CG HIS A 49 -15.222 35.821 6.096 1.00 0.00 C ATOM 754 ND1 HIS A 49 -14.862 35.494 7.381 1.00 0.00 N ATOM 755 CD2 HIS A 49 -16.437 36.436 6.203 1.00 0.00 C ATOM 756 CE1 HIS A 49 -15.836 35.891 8.204 1.00 0.00 C ATOM 757 NE2 HIS A 49 -16.815 36.471 7.536 1.00 0.00 N ATOM 0 H HIS A 49 -15.794 33.642 4.257 1.00 0.00 H new ATOM 0 HA HIS A 49 -15.829 36.306 3.470 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -13.794 34.653 5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -13.607 36.383 4.835 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -17.012 36.832 5.379 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -15.824 35.755 9.275 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -17.674 36.864 7.921 1.00 0.00 H new ATOM 765 N ILE A 50 -13.407 34.597 1.996 1.00 0.00 N ATOM 766 CA ILE A 50 -12.340 34.659 0.969 1.00 0.00 C ATOM 767 C ILE A 50 -12.929 34.787 -0.450 1.00 0.00 C ATOM 768 O ILE A 50 -12.309 35.401 -1.317 1.00 0.00 O ATOM 769 CB ILE A 50 -11.337 33.451 1.063 1.00 0.00 C ATOM 770 CG1 ILE A 50 -12.013 32.094 0.680 1.00 0.00 C ATOM 771 CG2 ILE A 50 -10.726 33.385 2.490 1.00 0.00 C ATOM 772 CD1 ILE A 50 -11.099 30.885 0.723 1.00 0.00 C ATOM 0 H ILE A 50 -13.575 33.662 2.367 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.764 35.561 1.177 1.00 0.00 H new ATOM 0 HB ILE A 50 -10.539 33.619 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.851 31.920 1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.426 32.182 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.032 32.547 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.194 34.313 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.523 33.249 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.661 29.994 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.273 31.028 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.705 30.762 1.732 1.00 0.00 H new ATOM 784 N ILE A 51 -14.133 34.218 -0.661 1.00 0.00 N ATOM 785 CA ILE A 51 -14.888 34.350 -1.934 1.00 0.00 C ATOM 786 C ILE A 51 -15.379 35.810 -2.097 1.00 0.00 C ATOM 787 O ILE A 51 -15.371 36.365 -3.207 1.00 0.00 O ATOM 788 CB ILE A 51 -16.108 33.347 -1.960 1.00 0.00 C ATOM 789 CG1 ILE A 51 -15.624 31.881 -1.671 1.00 0.00 C ATOM 790 CG2 ILE A 51 -16.886 33.423 -3.306 1.00 0.00 C ATOM 791 CD1 ILE A 51 -16.737 30.860 -1.472 1.00 0.00 C ATOM 0 H ILE A 51 -14.613 33.655 0.041 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.230 34.102 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 51 -16.798 33.644 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -14.995 31.553 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.998 31.891 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -17.718 32.719 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.269 34.433 -3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.216 33.170 -4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.301 29.880 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.355 31.156 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -17.352 30.813 -2.371 1.00 0.00 H new ATOM 803 N GLN A 52 -15.785 36.415 -0.963 1.00 0.00 N ATOM 804 CA GLN A 52 -16.142 37.849 -0.876 1.00 0.00 C ATOM 805 C GLN A 52 -14.909 38.735 -1.156 1.00 0.00 C ATOM 806 O GLN A 52 -15.027 39.817 -1.741 1.00 0.00 O ATOM 807 CB GLN A 52 -16.699 38.170 0.540 1.00 0.00 C ATOM 808 CG GLN A 52 -18.020 37.451 0.897 1.00 0.00 C ATOM 809 CD GLN A 52 -18.505 37.769 2.319 1.00 0.00 C ATOM 810 OE1 GLN A 52 -19.211 38.744 2.540 1.00 0.00 O ATOM 811 NE2 GLN A 52 -18.149 36.934 3.280 1.00 0.00 N ATOM 0 H GLN A 52 -15.876 35.921 -0.075 1.00 0.00 H new ATOM 0 HA GLN A 52 -16.904 38.060 -1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -15.945 37.903 1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.855 39.246 0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.790 37.740 0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -17.881 36.374 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -17.560 36.130 3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.464 37.094 4.237 1.00 0.00 H new ATOM 820 N ALA A 53 -13.731 38.247 -0.704 1.00 0.00 N ATOM 821 CA ALA A 53 -12.439 38.949 -0.854 1.00 0.00 C ATOM 822 C ALA A 53 -11.907 38.854 -2.296 1.00 0.00 C ATOM 823 O ALA A 53 -11.131 39.714 -2.726 1.00 0.00 O ATOM 824 CB ALA A 53 -11.412 38.380 0.142 1.00 0.00 C ATOM 0 H ALA A 53 -13.651 37.351 -0.223 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.600 40.005 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.463 38.903 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.778 38.516 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.267 37.317 -0.052 1.00 0.00 H new ATOM 830 N ARG A 54 -12.308 37.796 -3.024 1.00 0.00 N ATOM 831 CA ARG A 54 -11.971 37.624 -4.448 1.00 0.00 C ATOM 832 C ARG A 54 -12.916 38.485 -5.302 1.00 0.00 C ATOM 833 O ARG A 54 -12.529 39.544 -5.813 1.00 0.00 O ATOM 834 CB ARG A 54 -12.046 36.123 -4.864 1.00 0.00 C ATOM 835 CG ARG A 54 -10.995 35.211 -4.213 1.00 0.00 C ATOM 836 CD ARG A 54 -9.567 35.625 -4.576 1.00 0.00 C ATOM 837 NE ARG A 54 -8.577 34.718 -3.974 1.00 0.00 N ATOM 838 CZ ARG A 54 -7.765 33.901 -4.648 1.00 0.00 C ATOM 839 NH1 ARG A 54 -7.826 33.822 -5.974 1.00 0.00 N ATOM 840 NH2 ARG A 54 -6.893 33.157 -3.987 1.00 0.00 N ATOM 0 H ARG A 54 -12.874 37.038 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.945 37.953 -4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.037 35.743 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.941 36.057 -5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.115 35.237 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.164 34.181 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.451 35.626 -5.660 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.384 36.644 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.505 34.713 -2.957 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.499 34.390 -6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.200 33.193 -6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.845 33.210 -2.970 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.269 32.530 -4.495 1.00 0.00 H new ATOM 854 N GLU A 55 -14.162 38.019 -5.428 1.00 0.00 N ATOM 855 CA GLU A 55 -15.221 38.699 -6.172 1.00 0.00 C ATOM 856 C GLU A 55 -16.085 39.510 -5.174 1.00 0.00 C ATOM 857 O GLU A 55 -16.862 38.916 -4.405 1.00 0.00 O ATOM 858 CB GLU A 55 -16.064 37.656 -6.971 1.00 0.00 C ATOM 859 CG GLU A 55 -15.409 37.118 -8.277 1.00 0.00 C ATOM 860 CD GLU A 55 -14.013 36.469 -8.103 1.00 0.00 C ATOM 861 OE1 GLU A 55 -12.994 37.069 -8.517 1.00 0.00 O ATOM 862 OE2 GLU A 55 -13.927 35.354 -7.565 1.00 0.00 O ATOM 0 H GLU A 55 -14.467 37.141 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.797 39.391 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.276 36.810 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.022 38.109 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.079 36.383 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.322 37.942 -8.985 1.00 0.00 H new ATOM 869 N PRO A 56 -15.964 40.888 -5.169 1.00 0.00 N ATOM 870 CA PRO A 56 -16.655 41.774 -4.179 1.00 0.00 C ATOM 871 C PRO A 56 -18.179 41.849 -4.406 1.00 0.00 C ATOM 872 O PRO A 56 -18.894 42.447 -3.604 1.00 0.00 O ATOM 873 CB PRO A 56 -15.982 43.154 -4.410 1.00 0.00 C ATOM 874 CG PRO A 56 -15.606 43.128 -5.861 1.00 0.00 C ATOM 875 CD PRO A 56 -15.165 41.704 -6.140 1.00 0.00 C ATOM 0 HA PRO A 56 -16.556 41.405 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -16.664 43.974 -4.188 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.108 43.285 -3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.451 43.408 -6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.804 43.836 -6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -15.372 41.415 -7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.094 41.578 -5.982 1.00 0.00 H new ATOM 883 N SER A 57 -18.649 41.246 -5.514 1.00 0.00 N ATOM 884 CA SER A 57 -20.077 41.140 -5.844 1.00 0.00 C ATOM 885 C SER A 57 -20.822 40.263 -4.820 1.00 0.00 C ATOM 886 O SER A 57 -22.020 40.438 -4.594 1.00 0.00 O ATOM 887 CB SER A 57 -20.216 40.545 -7.264 1.00 0.00 C ATOM 888 OG SER A 57 -19.419 41.262 -8.187 1.00 0.00 O ATOM 0 H SER A 57 -18.040 40.816 -6.210 1.00 0.00 H new ATOM 0 HA SER A 57 -20.525 42.133 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.917 39.497 -7.255 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.260 40.576 -7.576 1.00 0.00 H new ATOM 0 HG SER A 57 -19.519 40.870 -9.079 1.00 0.00 H new ATOM 894 N LEU A 58 -20.091 39.309 -4.204 1.00 0.00 N ATOM 895 CA LEU A 58 -20.650 38.368 -3.208 1.00 0.00 C ATOM 896 C LEU A 58 -20.441 38.874 -1.764 1.00 0.00 C ATOM 897 O LEU A 58 -20.851 38.197 -0.812 1.00 0.00 O ATOM 898 CB LEU A 58 -20.032 36.946 -3.387 1.00 0.00 C ATOM 899 CG LEU A 58 -20.374 36.185 -4.728 1.00 0.00 C ATOM 900 CD1 LEU A 58 -19.584 36.735 -5.941 1.00 0.00 C ATOM 901 CD2 LEU A 58 -20.167 34.659 -4.583 1.00 0.00 C ATOM 0 H LEU A 58 -19.097 39.169 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 58 -21.724 38.306 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -18.948 37.035 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -20.358 36.326 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 58 -21.430 36.369 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -19.857 36.177 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -19.823 37.789 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -18.515 36.627 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -20.412 34.168 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -19.127 34.456 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.816 34.277 -3.795 1.00 0.00 H new ATOM 913 N ARG A 59 -19.824 40.065 -1.607 1.00 0.00 N ATOM 914 CA ARG A 59 -19.502 40.655 -0.283 1.00 0.00 C ATOM 915 C ARG A 59 -20.776 41.074 0.478 1.00 0.00 C ATOM 916 O ARG A 59 -20.875 40.903 1.701 1.00 0.00 O ATOM 917 CB ARG A 59 -18.536 41.855 -0.441 1.00 0.00 C ATOM 918 CG ARG A 59 -18.071 42.510 0.888 1.00 0.00 C ATOM 919 CD ARG A 59 -17.131 43.702 0.665 1.00 0.00 C ATOM 920 NE ARG A 59 -17.756 44.754 -0.155 1.00 0.00 N ATOM 921 CZ ARG A 59 -17.183 45.402 -1.182 1.00 0.00 C ATOM 922 NH1 ARG A 59 -15.929 45.157 -1.522 1.00 0.00 N ATOM 923 NH2 ARG A 59 -17.871 46.313 -1.856 1.00 0.00 N ATOM 0 H ARG A 59 -19.534 40.647 -2.393 1.00 0.00 H new ATOM 0 HA ARG A 59 -19.006 39.886 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.656 41.522 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.024 42.615 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.944 42.842 1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.564 41.763 1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.840 44.119 1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.219 43.358 0.178 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.714 45.015 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.385 44.469 -1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.506 45.656 -2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.835 46.521 -1.594 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.437 46.806 -2.636 1.00 0.00 H new ATOM 937 N ASP A 60 -21.751 41.608 -0.266 1.00 0.00 N ATOM 938 CA ASP A 60 -23.048 42.046 0.296 1.00 0.00 C ATOM 939 C ASP A 60 -24.018 40.848 0.446 1.00 0.00 C ATOM 940 O ASP A 60 -25.076 40.971 1.073 1.00 0.00 O ATOM 941 CB ASP A 60 -23.678 43.138 -0.606 1.00 0.00 C ATOM 942 CG ASP A 60 -24.136 42.603 -1.975 1.00 0.00 C ATOM 943 OD1 ASP A 60 -25.358 42.430 -2.186 1.00 0.00 O ATOM 944 OD2 ASP A 60 -23.273 42.339 -2.835 1.00 0.00 O ATOM 0 H ASP A 60 -21.671 41.751 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 60 -22.869 42.464 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -24.532 43.578 -0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.952 43.937 -0.759 1.00 0.00 H new ATOM 949 N SER A 61 -23.644 39.694 -0.149 1.00 0.00 N ATOM 950 CA SER A 61 -24.446 38.462 -0.124 1.00 0.00 C ATOM 951 C SER A 61 -24.134 37.663 1.155 1.00 0.00 C ATOM 952 O SER A 61 -22.995 37.208 1.348 1.00 0.00 O ATOM 953 CB SER A 61 -24.157 37.641 -1.401 1.00 0.00 C ATOM 954 OG SER A 61 -24.366 38.427 -2.568 1.00 0.00 O ATOM 0 H SER A 61 -22.769 39.596 -0.663 1.00 0.00 H new ATOM 0 HA SER A 61 -25.509 38.703 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 61 -23.129 37.279 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 61 -24.803 36.764 -1.428 1.00 0.00 H new ATOM 0 HG SER A 61 -24.176 37.888 -3.364 1.00 0.00 H new ATOM 960 N ASN A 62 -25.153 37.530 2.030 1.00 0.00 N ATOM 961 CA ASN A 62 -25.011 36.889 3.354 1.00 0.00 C ATOM 962 C ASN A 62 -24.712 35.374 3.224 1.00 0.00 C ATOM 963 O ASN A 62 -25.314 34.718 2.376 1.00 0.00 O ATOM 964 CB ASN A 62 -26.283 37.123 4.228 1.00 0.00 C ATOM 965 CG ASN A 62 -27.583 36.523 3.661 1.00 0.00 C ATOM 966 OD1 ASN A 62 -27.813 36.521 2.453 1.00 0.00 O ATOM 967 ND2 ASN A 62 -28.435 36.002 4.527 1.00 0.00 N ATOM 0 H ASN A 62 -26.097 37.864 1.838 1.00 0.00 H new ATOM 0 HA ASN A 62 -24.161 37.356 3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -26.108 36.701 5.218 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -26.423 38.196 4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -29.306 35.586 4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -28.221 36.016 5.524 1.00 0.00 H new ATOM 974 N PRO A 63 -23.799 34.794 4.089 1.00 0.00 N ATOM 975 CA PRO A 63 -23.383 33.356 4.007 1.00 0.00 C ATOM 976 C PRO A 63 -24.559 32.347 4.099 1.00 0.00 C ATOM 977 O PRO A 63 -24.408 31.184 3.701 1.00 0.00 O ATOM 978 CB PRO A 63 -22.399 33.192 5.206 1.00 0.00 C ATOM 979 CG PRO A 63 -22.712 34.343 6.118 1.00 0.00 C ATOM 980 CD PRO A 63 -23.093 35.485 5.204 1.00 0.00 C ATOM 0 HA PRO A 63 -22.939 33.132 3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -22.545 32.237 5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -21.361 33.221 4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -23.527 34.095 6.798 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -21.851 34.603 6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -23.738 36.207 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -22.218 36.031 4.852 1.00 0.00 H new ATOM 988 N GLU A 64 -25.703 32.804 4.628 1.00 0.00 N ATOM 989 CA GLU A 64 -26.936 32.001 4.719 1.00 0.00 C ATOM 990 C GLU A 64 -27.534 31.759 3.318 1.00 0.00 C ATOM 991 O GLU A 64 -27.814 30.618 2.934 1.00 0.00 O ATOM 992 CB GLU A 64 -27.972 32.739 5.605 1.00 0.00 C ATOM 993 CG GLU A 64 -27.491 33.051 7.034 1.00 0.00 C ATOM 994 CD GLU A 64 -28.500 33.909 7.806 1.00 0.00 C ATOM 995 OE1 GLU A 64 -29.372 33.349 8.501 1.00 0.00 O ATOM 996 OE2 GLU A 64 -28.443 35.153 7.693 1.00 0.00 O ATOM 0 H GLU A 64 -25.802 33.746 5.007 1.00 0.00 H new ATOM 0 HA GLU A 64 -26.691 31.037 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -28.247 33.674 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -28.876 32.133 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -27.323 32.118 7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -26.534 33.570 6.989 1.00 0.00 H new ATOM 1003 N GLU A 65 -27.703 32.856 2.560 1.00 0.00 N ATOM 1004 CA GLU A 65 -28.444 32.861 1.276 1.00 0.00 C ATOM 1005 C GLU A 65 -27.509 33.122 0.081 1.00 0.00 C ATOM 1006 O GLU A 65 -27.983 33.447 -1.020 1.00 0.00 O ATOM 1007 CB GLU A 65 -29.551 33.952 1.338 1.00 0.00 C ATOM 1008 CG GLU A 65 -30.561 33.786 2.497 1.00 0.00 C ATOM 1009 CD GLU A 65 -31.514 34.984 2.640 1.00 0.00 C ATOM 1010 OE1 GLU A 65 -32.510 35.066 1.890 1.00 0.00 O ATOM 1011 OE2 GLU A 65 -31.271 35.861 3.499 1.00 0.00 O ATOM 0 H GLU A 65 -27.330 33.770 2.817 1.00 0.00 H new ATOM 0 HA GLU A 65 -28.892 31.878 1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -29.075 34.928 1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -30.098 33.949 0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -31.146 32.881 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -30.015 33.650 3.431 1.00 0.00 H new ATOM 1018 N ILE A 66 -26.184 32.968 0.287 1.00 0.00 N ATOM 1019 CA ILE A 66 -25.185 33.254 -0.757 1.00 0.00 C ATOM 1020 C ILE A 66 -25.145 32.121 -1.802 1.00 0.00 C ATOM 1021 O ILE A 66 -24.992 30.938 -1.463 1.00 0.00 O ATOM 1022 CB ILE A 66 -23.742 33.523 -0.152 1.00 0.00 C ATOM 1023 CG1 ILE A 66 -22.751 34.048 -1.245 1.00 0.00 C ATOM 1024 CG2 ILE A 66 -23.153 32.275 0.567 1.00 0.00 C ATOM 1025 CD1 ILE A 66 -21.378 34.455 -0.727 1.00 0.00 C ATOM 0 H ILE A 66 -25.784 32.647 1.169 1.00 0.00 H new ATOM 0 HA ILE A 66 -25.495 34.172 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 66 -23.867 34.300 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -22.623 33.272 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -23.204 34.906 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -22.166 32.515 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -23.810 31.983 1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -23.070 31.452 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.765 34.804 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -21.488 35.255 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -20.898 33.597 -0.257 1.00 0.00 H new ATOM 1037 N GLU A 67 -25.356 32.485 -3.070 1.00 0.00 N ATOM 1038 CA GLU A 67 -25.062 31.604 -4.207 1.00 0.00 C ATOM 1039 C GLU A 67 -23.688 31.985 -4.760 1.00 0.00 C ATOM 1040 O GLU A 67 -23.364 33.168 -4.856 1.00 0.00 O ATOM 1041 CB GLU A 67 -26.168 31.703 -5.290 1.00 0.00 C ATOM 1042 CG GLU A 67 -26.348 33.098 -5.935 1.00 0.00 C ATOM 1043 CD GLU A 67 -27.502 33.131 -6.951 1.00 0.00 C ATOM 1044 OE1 GLU A 67 -28.646 33.479 -6.572 1.00 0.00 O ATOM 1045 OE2 GLU A 67 -27.285 32.775 -8.129 1.00 0.00 O ATOM 0 H GLU A 67 -25.734 33.394 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 67 -25.045 30.564 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -25.945 30.984 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -27.116 31.403 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -26.534 33.835 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -25.422 33.388 -6.432 1.00 0.00 H new ATOM 1052 N ILE A 68 -22.852 30.994 -5.067 1.00 0.00 N ATOM 1053 CA ILE A 68 -21.501 31.246 -5.578 1.00 0.00 C ATOM 1054 C ILE A 68 -21.555 31.240 -7.111 1.00 0.00 C ATOM 1055 O ILE A 68 -21.735 30.178 -7.725 1.00 0.00 O ATOM 1056 CB ILE A 68 -20.454 30.199 -5.053 1.00 0.00 C ATOM 1057 CG1 ILE A 68 -20.573 30.006 -3.497 1.00 0.00 C ATOM 1058 CG2 ILE A 68 -19.017 30.643 -5.437 1.00 0.00 C ATOM 1059 CD1 ILE A 68 -19.664 28.927 -2.917 1.00 0.00 C ATOM 0 H ILE A 68 -23.085 30.006 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 68 -21.166 32.217 -5.213 1.00 0.00 H new ATOM 0 HB ILE A 68 -20.666 29.240 -5.525 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.346 30.954 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -21.607 29.761 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -18.299 29.910 -5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -18.936 30.716 -6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -18.805 31.615 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -19.814 28.865 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -19.903 27.966 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.624 29.178 -3.124 1.00 0.00 H new ATOM 1071 N ASP A 69 -21.457 32.439 -7.710 1.00 0.00 N ATOM 1072 CA ASP A 69 -21.518 32.615 -9.165 1.00 0.00 C ATOM 1073 C ASP A 69 -20.184 32.209 -9.809 1.00 0.00 C ATOM 1074 O ASP A 69 -19.319 33.058 -10.066 1.00 0.00 O ATOM 1075 CB ASP A 69 -21.880 34.076 -9.525 1.00 0.00 C ATOM 1076 CG ASP A 69 -23.233 34.529 -8.955 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -23.294 34.906 -7.762 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -24.244 34.508 -9.693 1.00 0.00 O ATOM 0 H ASP A 69 -21.333 33.311 -7.196 1.00 0.00 H new ATOM 0 HA ASP A 69 -22.301 31.967 -9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -21.098 34.738 -9.153 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -21.898 34.181 -10.610 1.00 0.00 H new ATOM 1083 N PHE A 70 -20.026 30.890 -10.043 1.00 0.00 N ATOM 1084 CA PHE A 70 -18.815 30.293 -10.676 1.00 0.00 C ATOM 1085 C PHE A 70 -18.610 30.803 -12.117 1.00 0.00 C ATOM 1086 O PHE A 70 -17.491 30.776 -12.656 1.00 0.00 O ATOM 1087 CB PHE A 70 -18.905 28.747 -10.665 1.00 0.00 C ATOM 1088 CG PHE A 70 -19.082 28.128 -9.278 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -18.035 28.133 -8.362 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -20.293 27.545 -8.891 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -18.181 27.570 -7.111 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -20.441 26.982 -7.637 1.00 0.00 C ATOM 1093 CZ PHE A 70 -19.386 26.999 -6.742 1.00 0.00 C ATOM 0 H PHE A 70 -20.735 30.199 -9.799 1.00 0.00 H new ATOM 0 HA PHE A 70 -17.952 30.606 -10.088 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -19.741 28.441 -11.294 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -18.000 28.341 -11.117 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -17.093 28.585 -8.635 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -21.124 27.534 -9.581 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -17.353 27.575 -6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -21.380 26.529 -7.356 1.00 0.00 H new ATOM 0 HZ PHE A 70 -19.503 26.568 -5.759 1.00 0.00 H new ATOM 1103 N GLU A 71 -19.726 31.255 -12.709 1.00 0.00 N ATOM 1104 CA GLU A 71 -19.779 31.907 -14.024 1.00 0.00 C ATOM 1105 C GLU A 71 -18.916 33.182 -14.055 1.00 0.00 C ATOM 1106 O GLU A 71 -18.243 33.464 -15.048 1.00 0.00 O ATOM 1107 CB GLU A 71 -21.261 32.260 -14.354 1.00 0.00 C ATOM 1108 CG GLU A 71 -22.243 31.066 -14.274 1.00 0.00 C ATOM 1109 CD GLU A 71 -22.167 30.086 -15.465 1.00 0.00 C ATOM 1110 OE1 GLU A 71 -23.089 30.100 -16.319 1.00 0.00 O ATOM 1111 OE2 GLU A 71 -21.198 29.305 -15.559 1.00 0.00 O ATOM 0 H GLU A 71 -20.644 31.174 -12.271 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.380 31.220 -14.771 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -21.597 33.036 -13.667 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -21.305 32.682 -15.358 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.048 30.514 -13.354 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -23.259 31.453 -14.204 1.00 0.00 H new ATOM 1118 N THR A 72 -18.952 33.946 -12.944 1.00 0.00 N ATOM 1119 CA THR A 72 -18.292 35.259 -12.842 1.00 0.00 C ATOM 1120 C THR A 72 -16.992 35.200 -12.009 1.00 0.00 C ATOM 1121 O THR A 72 -16.277 36.204 -11.947 1.00 0.00 O ATOM 1122 CB THR A 72 -19.265 36.327 -12.240 1.00 0.00 C ATOM 1123 OG1 THR A 72 -19.683 35.930 -10.927 1.00 0.00 O ATOM 1124 CG2 THR A 72 -20.507 36.533 -13.128 1.00 0.00 C ATOM 0 H THR A 72 -19.440 33.668 -12.093 1.00 0.00 H new ATOM 0 HA THR A 72 -18.021 35.552 -13.856 1.00 0.00 H new ATOM 0 HB THR A 72 -18.721 37.270 -12.188 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.360 35.024 -10.741 1.00 0.00 H new ATOM 0 HG21 THR A 72 -21.157 37.282 -12.676 1.00 0.00 H new ATOM 0 HG22 THR A 72 -20.196 36.872 -14.116 1.00 0.00 H new ATOM 0 HG23 THR A 72 -21.048 35.591 -13.221 1.00 0.00 H new ATOM 1132 N LEU A 73 -16.691 34.044 -11.364 1.00 0.00 N ATOM 1133 CA LEU A 73 -15.397 33.859 -10.653 1.00 0.00 C ATOM 1134 C LEU A 73 -14.259 33.709 -11.688 1.00 0.00 C ATOM 1135 O LEU A 73 -14.481 33.183 -12.784 1.00 0.00 O ATOM 1136 CB LEU A 73 -15.385 32.603 -9.732 1.00 0.00 C ATOM 1137 CG LEU A 73 -16.519 32.432 -8.672 1.00 0.00 C ATOM 1138 CD1 LEU A 73 -16.247 31.202 -7.777 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -16.755 33.703 -7.826 1.00 0.00 C ATOM 0 H LEU A 73 -17.314 33.238 -11.321 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.255 34.739 -10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.400 31.723 -10.375 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.433 32.593 -9.201 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.443 32.264 -9.225 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.048 31.100 -7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.204 30.305 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -15.297 31.332 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.555 33.519 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.840 33.960 -7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -17.037 34.528 -8.480 1.00 0.00 H new ATOM 1151 N LYS A 74 -13.038 34.148 -11.318 1.00 0.00 N ATOM 1152 CA LYS A 74 -11.835 34.004 -12.174 1.00 0.00 C ATOM 1153 C LYS A 74 -11.418 32.516 -12.321 1.00 0.00 C ATOM 1154 O LYS A 74 -11.748 31.707 -11.446 1.00 0.00 O ATOM 1155 CB LYS A 74 -10.666 34.861 -11.601 1.00 0.00 C ATOM 1156 CG LYS A 74 -10.857 36.380 -11.790 1.00 0.00 C ATOM 1157 CD LYS A 74 -9.609 37.204 -11.400 1.00 0.00 C ATOM 1158 CE LYS A 74 -9.774 38.699 -11.736 1.00 0.00 C ATOM 1159 NZ LYS A 74 -8.570 39.494 -11.385 1.00 0.00 N ATOM 0 H LYS A 74 -12.856 34.609 -10.426 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.079 34.370 -13.171 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.559 34.647 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.736 34.558 -12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.106 36.581 -12.832 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.705 36.710 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.420 37.091 -10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.737 36.810 -11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.981 38.809 -12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.637 39.096 -11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.862 40.398 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.991 38.964 -10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.013 39.677 -12.244 1.00 0.00 H new ATOM 1173 N PRO A 75 -10.689 32.127 -13.443 1.00 0.00 N ATOM 1174 CA PRO A 75 -10.216 30.728 -13.666 1.00 0.00 C ATOM 1175 C PRO A 75 -9.431 30.170 -12.462 1.00 0.00 C ATOM 1176 O PRO A 75 -9.538 28.979 -12.126 1.00 0.00 O ATOM 1177 CB PRO A 75 -9.288 30.838 -14.912 1.00 0.00 C ATOM 1178 CG PRO A 75 -9.774 32.052 -15.646 1.00 0.00 C ATOM 1179 CD PRO A 75 -10.289 33.010 -14.581 1.00 0.00 C ATOM 0 HA PRO A 75 -11.053 30.043 -13.804 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.244 30.945 -14.619 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.355 29.946 -15.535 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.969 32.507 -16.223 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.564 31.791 -16.351 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.519 33.720 -14.280 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -11.134 33.593 -14.947 1.00 0.00 H new ATOM 1187 N SER A 76 -8.653 31.068 -11.826 1.00 0.00 N ATOM 1188 CA SER A 76 -7.825 30.750 -10.657 1.00 0.00 C ATOM 1189 C SER A 76 -8.711 30.529 -9.417 1.00 0.00 C ATOM 1190 O SER A 76 -8.405 29.671 -8.591 1.00 0.00 O ATOM 1191 CB SER A 76 -6.816 31.900 -10.400 1.00 0.00 C ATOM 1192 OG SER A 76 -5.826 31.531 -9.452 1.00 0.00 O ATOM 0 H SER A 76 -8.585 32.043 -12.116 1.00 0.00 H new ATOM 0 HA SER A 76 -7.273 29.831 -10.854 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.335 32.178 -11.338 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.351 32.780 -10.043 1.00 0.00 H new ATOM 0 HG SER A 76 -6.207 31.568 -8.550 1.00 0.00 H new ATOM 1198 N THR A 77 -9.816 31.311 -9.306 1.00 0.00 N ATOM 1199 CA THR A 77 -10.768 31.199 -8.180 1.00 0.00 C ATOM 1200 C THR A 77 -11.504 29.843 -8.211 1.00 0.00 C ATOM 1201 O THR A 77 -11.731 29.251 -7.158 1.00 0.00 O ATOM 1202 CB THR A 77 -11.805 32.377 -8.148 1.00 0.00 C ATOM 1203 OG1 THR A 77 -11.120 33.639 -8.249 1.00 0.00 O ATOM 1204 CG2 THR A 77 -12.653 32.368 -6.849 1.00 0.00 C ATOM 0 H THR A 77 -10.066 32.027 -9.988 1.00 0.00 H new ATOM 0 HA THR A 77 -10.176 31.262 -7.267 1.00 0.00 H new ATOM 0 HB THR A 77 -12.475 32.240 -8.997 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.773 34.356 -8.390 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.357 33.200 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.202 31.429 -6.779 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.996 32.469 -5.985 1.00 0.00 H new ATOM 1212 N LEU A 78 -11.861 29.359 -9.432 1.00 0.00 N ATOM 1213 CA LEU A 78 -12.450 28.003 -9.635 1.00 0.00 C ATOM 1214 C LEU A 78 -11.507 26.915 -9.084 1.00 0.00 C ATOM 1215 O LEU A 78 -11.934 26.017 -8.353 1.00 0.00 O ATOM 1216 CB LEU A 78 -12.760 27.723 -11.160 1.00 0.00 C ATOM 1217 CG LEU A 78 -14.161 28.172 -11.706 1.00 0.00 C ATOM 1218 CD1 LEU A 78 -15.306 27.424 -10.988 1.00 0.00 C ATOM 1219 CD2 LEU A 78 -14.344 29.697 -11.612 1.00 0.00 C ATOM 0 H LEU A 78 -11.751 29.890 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.392 27.973 -9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.992 28.216 -11.756 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.658 26.652 -11.333 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.200 27.905 -12.762 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.264 27.756 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.198 26.352 -11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.265 27.636 -9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.326 29.970 -11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.265 30.009 -10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.571 30.193 -12.199 1.00 0.00 H new ATOM 1231 N ARG A 79 -10.216 27.043 -9.447 1.00 0.00 N ATOM 1232 CA ARG A 79 -9.147 26.095 -9.059 1.00 0.00 C ATOM 1233 C ARG A 79 -8.963 26.044 -7.537 1.00 0.00 C ATOM 1234 O ARG A 79 -8.965 24.970 -6.931 1.00 0.00 O ATOM 1235 CB ARG A 79 -7.811 26.519 -9.737 1.00 0.00 C ATOM 1236 CG ARG A 79 -6.606 25.573 -9.487 1.00 0.00 C ATOM 1237 CD ARG A 79 -6.782 24.203 -10.158 1.00 0.00 C ATOM 1238 NE ARG A 79 -6.895 24.328 -11.623 1.00 0.00 N ATOM 1239 CZ ARG A 79 -7.086 23.313 -12.472 1.00 0.00 C ATOM 1240 NH1 ARG A 79 -7.233 22.075 -12.036 1.00 0.00 N ATOM 1241 NH2 ARG A 79 -7.153 23.553 -13.764 1.00 0.00 N ATOM 0 H ARG A 79 -9.880 27.814 -10.024 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.437 25.099 -9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.976 26.592 -10.812 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.546 27.517 -9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.696 26.043 -9.861 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.475 25.434 -8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.934 23.564 -9.911 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.674 23.716 -9.764 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.822 25.264 -12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.202 21.880 -11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.378 21.314 -12.700 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.059 24.508 -14.111 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.298 22.784 -14.419 1.00 0.00 H new ATOM 1255 N GLU A 80 -8.813 27.231 -6.946 1.00 0.00 N ATOM 1256 CA GLU A 80 -8.474 27.393 -5.531 1.00 0.00 C ATOM 1257 C GLU A 80 -9.666 27.073 -4.623 1.00 0.00 C ATOM 1258 O GLU A 80 -9.467 26.565 -3.521 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.929 28.817 -5.282 1.00 0.00 C ATOM 1260 CG GLU A 80 -6.581 29.093 -5.989 1.00 0.00 C ATOM 1261 CD GLU A 80 -6.067 30.515 -5.769 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -6.376 31.407 -6.582 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -5.370 30.759 -4.764 1.00 0.00 O ATOM 0 H GLU A 80 -8.925 28.116 -7.441 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.693 26.676 -5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.665 29.544 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.806 28.968 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.836 28.384 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.696 28.916 -7.058 1.00 0.00 H new ATOM 1270 N LEU A 81 -10.900 27.341 -5.114 1.00 0.00 N ATOM 1271 CA LEU A 81 -12.136 27.088 -4.349 1.00 0.00 C ATOM 1272 C LEU A 81 -12.309 25.586 -4.141 1.00 0.00 C ATOM 1273 O LEU A 81 -12.371 25.118 -2.999 1.00 0.00 O ATOM 1274 CB LEU A 81 -13.380 27.740 -5.040 1.00 0.00 C ATOM 1275 CG LEU A 81 -14.755 27.732 -4.249 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -15.638 28.933 -4.658 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -15.543 26.403 -4.433 1.00 0.00 C ATOM 0 H LEU A 81 -11.062 27.734 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.052 27.559 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.131 28.776 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.538 27.233 -5.992 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.502 27.818 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -16.574 28.903 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -15.114 29.862 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -15.850 28.882 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.475 26.452 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.764 26.255 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.942 25.570 -4.068 1.00 0.00 H new ATOM 1289 N GLU A 82 -12.313 24.830 -5.255 1.00 0.00 N ATOM 1290 CA GLU A 82 -12.472 23.361 -5.226 1.00 0.00 C ATOM 1291 C GLU A 82 -11.294 22.679 -4.501 1.00 0.00 C ATOM 1292 O GLU A 82 -11.437 21.562 -4.009 1.00 0.00 O ATOM 1293 CB GLU A 82 -12.620 22.778 -6.654 1.00 0.00 C ATOM 1294 CG GLU A 82 -11.359 22.879 -7.537 1.00 0.00 C ATOM 1295 CD GLU A 82 -11.448 22.011 -8.795 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -11.177 20.794 -8.702 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -11.807 22.524 -9.869 1.00 0.00 O ATOM 0 H GLU A 82 -12.207 25.215 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.387 23.154 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -12.905 21.729 -6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.439 23.293 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.206 23.918 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.488 22.579 -6.955 1.00 0.00 H new ATOM 1304 N ARG A 83 -10.132 23.367 -4.460 1.00 0.00 N ATOM 1305 CA ARG A 83 -8.884 22.832 -3.880 1.00 0.00 C ATOM 1306 C ARG A 83 -9.033 22.558 -2.369 1.00 0.00 C ATOM 1307 O ARG A 83 -8.790 21.431 -1.916 1.00 0.00 O ATOM 1308 CB ARG A 83 -7.712 23.807 -4.164 1.00 0.00 C ATOM 1309 CG ARG A 83 -6.301 23.243 -3.875 1.00 0.00 C ATOM 1310 CD ARG A 83 -5.181 24.172 -4.386 1.00 0.00 C ATOM 1311 NE ARG A 83 -3.843 23.564 -4.259 1.00 0.00 N ATOM 1312 CZ ARG A 83 -3.213 22.851 -5.216 1.00 0.00 C ATOM 1313 NH1 ARG A 83 -3.817 22.566 -6.360 1.00 0.00 N ATOM 1314 NH2 ARG A 83 -1.977 22.419 -5.016 1.00 0.00 N ATOM 0 H ARG A 83 -10.035 24.312 -4.830 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.665 21.875 -4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.758 24.109 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.856 24.707 -3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.185 23.095 -2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.200 22.265 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.367 24.419 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.206 25.108 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.353 23.693 -3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.771 22.886 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.328 22.026 -7.074 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.501 22.625 -4.138 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.502 21.880 -5.740 1.00 0.00 H new ATOM 1328 N TYR A 84 -9.464 23.588 -1.600 1.00 0.00 N ATOM 1329 CA TYR A 84 -9.633 23.466 -0.129 1.00 0.00 C ATOM 1330 C TYR A 84 -10.912 22.684 0.245 1.00 0.00 C ATOM 1331 O TYR A 84 -10.956 22.083 1.318 1.00 0.00 O ATOM 1332 CB TYR A 84 -9.586 24.853 0.592 1.00 0.00 C ATOM 1333 CG TYR A 84 -10.637 25.899 0.150 1.00 0.00 C ATOM 1334 CD1 TYR A 84 -11.974 25.800 0.543 1.00 0.00 C ATOM 1335 CD2 TYR A 84 -10.284 26.979 -0.654 1.00 0.00 C ATOM 1336 CE1 TYR A 84 -12.905 26.732 0.156 1.00 0.00 C ATOM 1337 CE2 TYR A 84 -11.218 27.915 -1.038 1.00 0.00 C ATOM 1338 CZ TYR A 84 -12.529 27.780 -0.643 1.00 0.00 C ATOM 1339 OH TYR A 84 -13.466 28.716 -1.025 1.00 0.00 O ATOM 0 H TYR A 84 -9.700 24.508 -1.971 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.780 22.889 0.229 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.702 24.685 1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.595 25.281 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -12.282 24.972 1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.260 27.085 -0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -13.931 26.639 0.480 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.922 28.755 -1.649 1.00 0.00 H new ATOM 0 HH TYR A 84 -13.039 29.395 -1.589 1.00 0.00 H new ATOM 1349 N VAL A 85 -11.943 22.709 -0.635 1.00 0.00 N ATOM 1350 CA VAL A 85 -13.202 21.946 -0.426 1.00 0.00 C ATOM 1351 C VAL A 85 -12.924 20.434 -0.521 1.00 0.00 C ATOM 1352 O VAL A 85 -13.333 19.657 0.351 1.00 0.00 O ATOM 1353 CB VAL A 85 -14.327 22.364 -1.461 1.00 0.00 C ATOM 1354 CG1 VAL A 85 -15.591 21.467 -1.357 1.00 0.00 C ATOM 1355 CG2 VAL A 85 -14.701 23.857 -1.282 1.00 0.00 C ATOM 0 H VAL A 85 -11.928 23.251 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.572 22.185 0.571 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.915 22.218 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.331 21.795 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.319 20.431 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -16.011 21.545 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -15.475 24.127 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.072 24.020 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.819 24.476 -1.449 1.00 0.00 H new ATOM 1365 N LEU A 86 -12.201 20.047 -1.580 1.00 0.00 N ATOM 1366 CA LEU A 86 -11.815 18.651 -1.827 1.00 0.00 C ATOM 1367 C LEU A 86 -10.791 18.176 -0.774 1.00 0.00 C ATOM 1368 O LEU A 86 -10.779 17.001 -0.404 1.00 0.00 O ATOM 1369 CB LEU A 86 -11.247 18.506 -3.267 1.00 0.00 C ATOM 1370 CG LEU A 86 -10.889 17.058 -3.736 1.00 0.00 C ATOM 1371 CD1 LEU A 86 -12.126 16.120 -3.706 1.00 0.00 C ATOM 1372 CD2 LEU A 86 -10.227 17.075 -5.141 1.00 0.00 C ATOM 0 H LEU A 86 -11.866 20.696 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.698 18.018 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.976 18.919 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.350 19.120 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.164 16.655 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.835 15.124 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -12.515 16.064 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.897 16.513 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.988 16.055 -5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.915 17.515 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.312 17.666 -5.105 1.00 0.00 H new ATOM 1384 N SER A 87 -9.947 19.118 -0.288 1.00 0.00 N ATOM 1385 CA SER A 87 -8.965 18.854 0.782 1.00 0.00 C ATOM 1386 C SER A 87 -9.656 18.741 2.156 1.00 0.00 C ATOM 1387 O SER A 87 -9.151 18.060 3.052 1.00 0.00 O ATOM 1388 CB SER A 87 -7.877 19.953 0.816 1.00 0.00 C ATOM 1389 OG SER A 87 -6.885 19.679 1.793 1.00 0.00 O ATOM 0 H SER A 87 -9.931 20.079 -0.629 1.00 0.00 H new ATOM 0 HA SER A 87 -8.486 17.900 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.409 20.033 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.340 20.917 1.028 1.00 0.00 H new ATOM 0 HG SER A 87 -6.213 20.392 1.786 1.00 0.00 H new ATOM 1395 N CYS A 88 -10.809 19.414 2.320 1.00 0.00 N ATOM 1396 CA CYS A 88 -11.595 19.334 3.564 1.00 0.00 C ATOM 1397 C CYS A 88 -12.288 17.964 3.635 1.00 0.00 C ATOM 1398 O CYS A 88 -12.299 17.313 4.691 1.00 0.00 O ATOM 1399 CB CYS A 88 -12.634 20.482 3.663 1.00 0.00 C ATOM 1400 SG CYS A 88 -13.315 20.695 5.328 1.00 0.00 S ATOM 0 H CYS A 88 -11.217 20.019 1.607 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.918 19.446 4.411 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.165 21.414 3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -13.450 20.285 2.967 1.00 0.00 H new ATOM 0 HG CYS A 88 -13.294 19.556 5.954 1.00 0.00 H new ATOM 1406 N LEU A 89 -12.841 17.538 2.482 1.00 0.00 N ATOM 1407 CA LEU A 89 -13.500 16.226 2.325 1.00 0.00 C ATOM 1408 C LEU A 89 -12.463 15.078 2.413 1.00 0.00 C ATOM 1409 O LEU A 89 -12.755 14.004 2.955 1.00 0.00 O ATOM 1410 CB LEU A 89 -14.269 16.188 0.973 1.00 0.00 C ATOM 1411 CG LEU A 89 -15.010 14.851 0.625 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -16.049 14.472 1.713 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -15.665 14.923 -0.776 1.00 0.00 C ATOM 0 H LEU A 89 -12.843 18.097 1.629 1.00 0.00 H new ATOM 0 HA LEU A 89 -14.214 16.084 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -15.003 16.994 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.562 16.404 0.172 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.261 14.060 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.542 13.540 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.544 14.345 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -16.793 15.264 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -16.171 13.982 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.389 15.738 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.896 15.100 -1.528 1.00 0.00 H new ATOM 1425 N ARG A 90 -11.249 15.332 1.898 1.00 0.00 N ATOM 1426 CA ARG A 90 -10.142 14.363 1.922 1.00 0.00 C ATOM 1427 C ARG A 90 -8.813 15.112 1.742 1.00 0.00 C ATOM 1428 O ARG A 90 -8.527 15.607 0.648 1.00 0.00 O ATOM 1429 CB ARG A 90 -10.320 13.290 0.803 1.00 0.00 C ATOM 1430 CG ARG A 90 -9.393 12.061 0.935 1.00 0.00 C ATOM 1431 CD ARG A 90 -9.717 11.234 2.190 1.00 0.00 C ATOM 1432 NE ARG A 90 -8.930 10.002 2.260 1.00 0.00 N ATOM 1433 CZ ARG A 90 -9.255 8.907 2.967 1.00 0.00 C ATOM 1434 NH1 ARG A 90 -10.383 8.863 3.673 1.00 0.00 N ATOM 1435 NH2 ARG A 90 -8.453 7.855 2.951 1.00 0.00 N ATOM 0 H ARG A 90 -11.007 16.217 1.452 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.141 13.846 2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.355 12.949 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.142 13.760 -0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.494 11.433 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.355 12.391 0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.526 11.836 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.778 10.986 2.195 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.061 9.972 1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.011 9.666 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.619 8.026 4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.593 7.878 2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.695 7.021 3.486 1.00 0.00 H new ATOM 1724 N THR A 106 -0.240 37.331 -11.544 1.00 0.00 N ATOM 1725 CA THR A 106 -1.570 37.509 -12.150 1.00 0.00 C ATOM 1726 C THR A 106 -1.400 38.221 -13.507 1.00 0.00 C ATOM 1727 O THR A 106 -0.416 38.954 -13.698 1.00 0.00 O ATOM 1728 CB THR A 106 -2.487 38.339 -11.187 1.00 0.00 C ATOM 1729 OG1 THR A 106 -2.496 37.719 -9.889 1.00 0.00 O ATOM 1730 CG2 THR A 106 -3.934 38.477 -11.685 1.00 0.00 C ATOM 0 HA THR A 106 -2.046 36.542 -12.312 1.00 0.00 H new ATOM 0 HB THR A 106 -2.068 39.344 -11.145 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.686 37.179 -9.779 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.511 39.063 -10.969 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.939 38.979 -12.653 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.380 37.488 -11.787 1.00 0.00 H new ATOM 1738 N LYS A 107 -2.361 37.992 -14.431 1.00 0.00 N ATOM 1739 CA LYS A 107 -2.328 38.531 -15.810 1.00 0.00 C ATOM 1740 C LYS A 107 -2.177 40.071 -15.839 1.00 0.00 C ATOM 1741 O LYS A 107 -1.419 40.608 -16.663 1.00 0.00 O ATOM 1742 CB LYS A 107 -3.618 38.102 -16.572 1.00 0.00 C ATOM 1743 CG LYS A 107 -3.738 38.673 -18.006 1.00 0.00 C ATOM 1744 CD LYS A 107 -5.051 38.264 -18.719 1.00 0.00 C ATOM 1745 CE LYS A 107 -5.178 38.903 -20.110 1.00 0.00 C ATOM 1746 NZ LYS A 107 -4.074 38.494 -21.019 1.00 0.00 N ATOM 0 H LYS A 107 -3.186 37.424 -14.239 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.450 38.116 -16.304 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.649 37.014 -16.624 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.487 38.418 -15.995 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.679 39.761 -17.963 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.889 38.331 -18.598 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.088 37.179 -18.815 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.903 38.559 -18.106 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.134 38.621 -20.552 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.181 39.988 -20.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.271 38.837 -21.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.178 38.902 -20.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.000 37.457 -21.030 1.00 0.00 H new ATOM 1760 N GLU A 108 -2.882 40.757 -14.919 1.00 0.00 N ATOM 1761 CA GLU A 108 -2.950 42.236 -14.865 1.00 0.00 C ATOM 1762 C GLU A 108 -1.569 42.893 -14.661 1.00 0.00 C ATOM 1763 O GLU A 108 -1.378 44.040 -15.079 1.00 0.00 O ATOM 1764 CB GLU A 108 -3.954 42.717 -13.772 1.00 0.00 C ATOM 1765 CG GLU A 108 -5.449 42.439 -14.086 1.00 0.00 C ATOM 1766 CD GLU A 108 -5.890 40.970 -13.878 1.00 0.00 C ATOM 1767 OE1 GLU A 108 -6.370 40.631 -12.771 1.00 0.00 O ATOM 1768 OE2 GLU A 108 -5.763 40.151 -14.815 1.00 0.00 O ATOM 0 H GLU A 108 -3.425 40.300 -14.186 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.314 42.559 -15.840 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.700 42.233 -12.829 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.822 43.789 -13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.064 43.082 -13.456 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.648 42.721 -15.120 1.00 0.00 H new ATOM 1775 N GLU A 109 -0.608 42.150 -14.061 1.00 0.00 N ATOM 1776 CA GLU A 109 0.764 42.659 -13.801 1.00 0.00 C ATOM 1777 C GLU A 109 1.487 43.096 -15.083 1.00 0.00 C ATOM 1778 O GLU A 109 2.390 43.919 -14.997 1.00 0.00 O ATOM 1779 CB GLU A 109 1.651 41.650 -12.983 1.00 0.00 C ATOM 1780 CG GLU A 109 1.458 41.703 -11.446 1.00 0.00 C ATOM 1781 CD GLU A 109 0.168 41.030 -10.948 1.00 0.00 C ATOM 1782 OE1 GLU A 109 -0.939 41.523 -11.239 1.00 0.00 O ATOM 1783 OE2 GLU A 109 0.264 40.001 -10.250 1.00 0.00 O ATOM 0 H GLU A 109 -0.757 41.191 -13.746 1.00 0.00 H new ATOM 0 HA GLU A 109 0.623 43.544 -13.181 1.00 0.00 H new ATOM 0 HB2 GLU A 109 1.434 40.638 -13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.699 41.846 -13.209 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.312 41.224 -10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 109 1.457 42.745 -11.127 1.00 0.00 H new ATOM 1790 N LEU A 110 1.079 42.568 -16.251 1.00 0.00 N ATOM 1791 CA LEU A 110 1.658 42.963 -17.557 1.00 0.00 C ATOM 1792 C LEU A 110 1.371 44.452 -17.872 1.00 0.00 C ATOM 1793 O LEU A 110 2.202 45.139 -18.485 1.00 0.00 O ATOM 1794 CB LEU A 110 1.125 42.052 -18.687 1.00 0.00 C ATOM 1795 CG LEU A 110 1.436 40.523 -18.529 1.00 0.00 C ATOM 1796 CD1 LEU A 110 0.784 39.692 -19.661 1.00 0.00 C ATOM 1797 CD2 LEU A 110 2.967 40.262 -18.444 1.00 0.00 C ATOM 0 H LEU A 110 0.346 41.862 -16.321 1.00 0.00 H new ATOM 0 HA LEU A 110 2.739 42.839 -17.495 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.045 42.180 -18.753 1.00 0.00 H new ATOM 0 HB3 LEU A 110 1.545 42.394 -19.633 1.00 0.00 H new ATOM 0 HG LEU A 110 0.994 40.196 -17.588 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.020 38.637 -19.520 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.297 39.828 -19.636 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.170 40.025 -20.625 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.148 39.193 -18.335 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.448 40.621 -19.354 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.379 40.789 -17.584 1.00 0.00 H new ATOM 1809 N ALA A 111 0.188 44.935 -17.441 1.00 0.00 N ATOM 1810 CA ALA A 111 -0.195 46.363 -17.528 1.00 0.00 C ATOM 1811 C ALA A 111 0.548 47.170 -16.449 1.00 0.00 C ATOM 1812 O ALA A 111 1.044 48.276 -16.703 1.00 0.00 O ATOM 1813 CB ALA A 111 -1.717 46.510 -17.371 1.00 0.00 C ATOM 0 H ALA A 111 -0.532 44.346 -17.022 1.00 0.00 H new ATOM 0 HA ALA A 111 0.087 46.753 -18.506 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.989 47.563 -17.436 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.220 45.955 -18.163 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -2.023 46.116 -16.402 1.00 0.00 H new ATOM 1819 N LEU A 112 0.631 46.568 -15.248 1.00 0.00 N ATOM 1820 CA LEU A 112 1.322 47.147 -14.081 1.00 0.00 C ATOM 1821 C LEU A 112 2.840 47.299 -14.315 1.00 0.00 C ATOM 1822 O LEU A 112 3.476 48.053 -13.584 1.00 0.00 O ATOM 1823 CB LEU A 112 1.039 46.324 -12.785 1.00 0.00 C ATOM 1824 CG LEU A 112 -0.311 46.620 -12.035 1.00 0.00 C ATOM 1825 CD1 LEU A 112 -1.555 46.374 -12.921 1.00 0.00 C ATOM 1826 CD2 LEU A 112 -0.396 45.802 -10.719 1.00 0.00 C ATOM 0 H LEU A 112 0.216 45.656 -15.059 1.00 0.00 H new ATOM 0 HA LEU A 112 0.915 48.149 -13.943 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.058 45.265 -13.044 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.859 46.496 -12.088 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.311 47.682 -11.790 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.457 46.595 -12.351 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.512 47.022 -13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.574 45.332 -13.241 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.337 46.021 -10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.346 44.738 -10.948 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.436 46.072 -10.068 1.00 0.00 H new ATOM 1838 N GLU A 113 3.414 46.529 -15.280 1.00 0.00 N ATOM 1839 CA GLU A 113 4.833 46.648 -15.683 1.00 0.00 C ATOM 1840 C GLU A 113 5.153 48.085 -16.101 1.00 0.00 C ATOM 1841 O GLU A 113 6.100 48.665 -15.599 1.00 0.00 O ATOM 1842 CB GLU A 113 5.203 45.666 -16.846 1.00 0.00 C ATOM 1843 CG GLU A 113 5.119 44.165 -16.505 1.00 0.00 C ATOM 1844 CD GLU A 113 6.051 43.751 -15.352 1.00 0.00 C ATOM 1845 OE1 GLU A 113 7.248 43.488 -15.615 1.00 0.00 O ATOM 1846 OE2 GLU A 113 5.609 43.703 -14.182 1.00 0.00 O ATOM 0 H GLU A 113 2.903 45.812 -15.795 1.00 0.00 H new ATOM 0 HA GLU A 113 5.433 46.377 -14.814 1.00 0.00 H new ATOM 0 HB2 GLU A 113 4.542 45.866 -17.690 1.00 0.00 H new ATOM 0 HB3 GLU A 113 6.218 45.889 -17.176 1.00 0.00 H new ATOM 0 HG2 GLU A 113 4.091 43.916 -16.240 1.00 0.00 H new ATOM 0 HG3 GLU A 113 5.369 43.583 -17.392 1.00 0.00 H new ATOM 1853 N LYS A 114 4.312 48.650 -16.994 1.00 0.00 N ATOM 1854 CA LYS A 114 4.488 50.027 -17.518 1.00 0.00 C ATOM 1855 C LYS A 114 4.466 51.073 -16.388 1.00 0.00 C ATOM 1856 O LYS A 114 5.263 52.028 -16.388 1.00 0.00 O ATOM 1857 CB LYS A 114 3.381 50.359 -18.560 1.00 0.00 C ATOM 1858 CG LYS A 114 3.571 51.705 -19.341 1.00 0.00 C ATOM 1859 CD LYS A 114 4.293 51.575 -20.731 1.00 0.00 C ATOM 1860 CE LYS A 114 5.752 51.028 -20.683 1.00 0.00 C ATOM 1861 NZ LYS A 114 5.807 49.539 -20.606 1.00 0.00 N ATOM 0 H LYS A 114 3.495 48.170 -17.372 1.00 0.00 H new ATOM 0 HA LYS A 114 5.464 50.068 -18.001 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.330 49.544 -19.282 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.420 50.390 -18.046 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.592 52.156 -19.499 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.141 52.392 -18.716 1.00 0.00 H new ATOM 0 HD2 LYS A 114 3.699 50.920 -21.369 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.307 52.556 -21.206 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.290 51.362 -21.570 1.00 0.00 H new ATOM 0 HE3 LYS A 114 6.266 51.451 -19.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.342 49.255 -19.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 4.841 49.158 -20.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.277 49.165 -21.455 1.00 0.00 H new ATOM 1875 N LYS A 115 3.556 50.853 -15.427 1.00 0.00 N ATOM 1876 CA LYS A 115 3.381 51.724 -14.255 1.00 0.00 C ATOM 1877 C LYS A 115 4.590 51.612 -13.323 1.00 0.00 C ATOM 1878 O LYS A 115 5.057 52.612 -12.787 1.00 0.00 O ATOM 1879 CB LYS A 115 2.089 51.338 -13.488 1.00 0.00 C ATOM 1880 CG LYS A 115 0.810 51.335 -14.356 1.00 0.00 C ATOM 1881 CD LYS A 115 -0.454 50.990 -13.536 1.00 0.00 C ATOM 1882 CE LYS A 115 -1.730 50.947 -14.390 1.00 0.00 C ATOM 1883 NZ LYS A 115 -2.941 50.774 -13.549 1.00 0.00 N ATOM 0 H LYS A 115 2.916 50.059 -15.442 1.00 0.00 H new ATOM 0 HA LYS A 115 3.295 52.754 -14.600 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.221 50.347 -13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 115 1.950 52.034 -12.660 1.00 0.00 H new ATOM 0 HG2 LYS A 115 0.685 52.314 -14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.924 50.613 -15.165 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -0.314 50.023 -13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -0.579 51.728 -12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.815 51.868 -14.967 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.663 50.128 -15.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.785 50.749 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.870 49.883 -13.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.017 51.569 -12.883 1.00 0.00 H new ATOM 1897 N ARG A 116 5.094 50.369 -13.179 1.00 0.00 N ATOM 1898 CA ARG A 116 6.239 50.037 -12.312 1.00 0.00 C ATOM 1899 C ARG A 116 7.517 50.686 -12.846 1.00 0.00 C ATOM 1900 O ARG A 116 8.322 51.188 -12.072 1.00 0.00 O ATOM 1901 CB ARG A 116 6.420 48.492 -12.206 1.00 0.00 C ATOM 1902 CG ARG A 116 7.542 48.029 -11.238 1.00 0.00 C ATOM 1903 CD ARG A 116 7.237 48.344 -9.768 1.00 0.00 C ATOM 1904 NE ARG A 116 6.038 47.628 -9.293 1.00 0.00 N ATOM 1905 CZ ARG A 116 5.264 48.019 -8.270 1.00 0.00 C ATOM 1906 NH1 ARG A 116 5.509 49.137 -7.615 1.00 0.00 N ATOM 1907 NH2 ARG A 116 4.236 47.279 -7.905 1.00 0.00 N ATOM 0 H ARG A 116 4.712 49.560 -13.668 1.00 0.00 H new ATOM 0 HA ARG A 116 6.038 50.429 -11.315 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.477 48.052 -11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 116 6.632 48.097 -13.200 1.00 0.00 H new ATOM 0 HG2 ARG A 116 7.690 46.955 -11.350 1.00 0.00 H new ATOM 0 HG3 ARG A 116 8.478 48.511 -11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 116 8.093 48.069 -9.152 1.00 0.00 H new ATOM 0 HD3 ARG A 116 7.091 49.418 -9.649 1.00 0.00 H new ATOM 0 HE ARG A 116 5.778 46.770 -9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 116 6.300 49.723 -7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 116 4.908 49.416 -6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 116 4.031 46.411 -8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 116 3.646 47.574 -7.127 1.00 0.00 H new ATOM 1921 N GLU A 117 7.664 50.679 -14.179 1.00 0.00 N ATOM 1922 CA GLU A 117 8.806 51.281 -14.876 1.00 0.00 C ATOM 1923 C GLU A 117 8.765 52.809 -14.752 1.00 0.00 C ATOM 1924 O GLU A 117 9.787 53.436 -14.499 1.00 0.00 O ATOM 1925 CB GLU A 117 8.813 50.867 -16.370 1.00 0.00 C ATOM 1926 CG GLU A 117 8.961 49.350 -16.612 1.00 0.00 C ATOM 1927 CD GLU A 117 8.885 48.961 -18.096 1.00 0.00 C ATOM 1928 OE1 GLU A 117 7.760 48.796 -18.625 1.00 0.00 O ATOM 1929 OE2 GLU A 117 9.946 48.823 -18.744 1.00 0.00 O ATOM 0 H GLU A 117 6.985 50.250 -14.808 1.00 0.00 H new ATOM 0 HA GLU A 117 9.721 50.916 -14.410 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.887 51.207 -16.833 1.00 0.00 H new ATOM 0 HB3 GLU A 117 9.630 51.384 -16.874 1.00 0.00 H new ATOM 0 HG2 GLU A 117 9.915 49.015 -16.204 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.179 48.824 -16.065 1.00 0.00 H new ATOM 1936 N LEU A 118 7.558 53.381 -14.911 1.00 0.00 N ATOM 1937 CA LEU A 118 7.338 54.838 -14.862 1.00 0.00 C ATOM 1938 C LEU A 118 7.672 55.398 -13.462 1.00 0.00 C ATOM 1939 O LEU A 118 8.431 56.376 -13.340 1.00 0.00 O ATOM 1940 CB LEU A 118 5.867 55.174 -15.252 1.00 0.00 C ATOM 1941 CG LEU A 118 5.467 56.688 -15.210 1.00 0.00 C ATOM 1942 CD1 LEU A 118 6.387 57.553 -16.114 1.00 0.00 C ATOM 1943 CD2 LEU A 118 3.974 56.884 -15.571 1.00 0.00 C ATOM 0 H LEU A 118 6.706 52.845 -15.077 1.00 0.00 H new ATOM 0 HA LEU A 118 8.006 55.312 -15.582 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.686 54.800 -16.260 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.202 54.626 -14.585 1.00 0.00 H new ATOM 0 HG LEU A 118 5.609 57.032 -14.186 1.00 0.00 H new ATOM 0 HD11 LEU A 118 6.076 58.596 -16.057 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.419 57.463 -15.775 1.00 0.00 H new ATOM 0 HD13 LEU A 118 6.312 57.208 -17.145 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.727 57.945 -15.533 1.00 0.00 H new ATOM 0 HD22 LEU A 118 3.790 56.504 -16.576 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.353 56.341 -14.858 1.00 0.00 H new ATOM 1955 N GLU A 119 7.124 54.746 -12.417 1.00 0.00 N ATOM 1956 CA GLU A 119 7.334 55.147 -11.013 1.00 0.00 C ATOM 1957 C GLU A 119 8.788 54.895 -10.598 1.00 0.00 C ATOM 1958 O GLU A 119 9.318 55.634 -9.785 1.00 0.00 O ATOM 1959 CB GLU A 119 6.339 54.425 -10.054 1.00 0.00 C ATOM 1960 CG GLU A 119 6.541 52.900 -9.916 1.00 0.00 C ATOM 1961 CD GLU A 119 5.422 52.190 -9.128 1.00 0.00 C ATOM 1962 OE1 GLU A 119 5.526 52.078 -7.886 1.00 0.00 O ATOM 1963 OE2 GLU A 119 4.435 51.746 -9.744 1.00 0.00 O ATOM 0 H GLU A 119 6.524 53.928 -12.523 1.00 0.00 H new ATOM 0 HA GLU A 119 7.134 56.216 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 119 6.422 54.876 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.324 54.610 -10.405 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.606 52.461 -10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 119 7.495 52.713 -9.422 1.00 0.00 H new ATOM 1970 N LYS A 120 9.431 53.862 -11.199 1.00 0.00 N ATOM 1971 CA LYS A 120 10.850 53.518 -10.940 1.00 0.00 C ATOM 1972 C LYS A 120 11.774 54.625 -11.479 1.00 0.00 C ATOM 1973 O LYS A 120 12.709 55.039 -10.797 1.00 0.00 O ATOM 1974 CB LYS A 120 11.189 52.129 -11.590 1.00 0.00 C ATOM 1975 CG LYS A 120 12.571 51.507 -11.236 1.00 0.00 C ATOM 1976 CD LYS A 120 13.755 52.066 -12.075 1.00 0.00 C ATOM 1977 CE LYS A 120 15.119 51.589 -11.572 1.00 0.00 C ATOM 1978 NZ LYS A 120 15.332 51.963 -10.158 1.00 0.00 N ATOM 0 H LYS A 120 8.980 53.246 -11.875 1.00 0.00 H new ATOM 0 HA LYS A 120 11.011 53.442 -9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.413 51.420 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.133 52.238 -12.673 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.775 51.681 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.518 50.427 -11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.631 51.764 -13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.726 53.155 -12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.190 50.507 -11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.908 52.022 -12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 16.348 51.925 -9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.979 52.928 -9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.820 51.300 -9.542 1.00 0.00 H new ATOM 1992 N ARG A 121 11.479 55.099 -12.703 1.00 0.00 N ATOM 1993 CA ARG A 121 12.254 56.163 -13.386 1.00 0.00 C ATOM 1994 C ARG A 121 12.028 57.536 -12.714 1.00 0.00 C ATOM 1995 O ARG A 121 12.786 58.484 -12.945 1.00 0.00 O ATOM 1996 CB ARG A 121 11.882 56.201 -14.895 1.00 0.00 C ATOM 1997 CG ARG A 121 12.255 54.910 -15.677 1.00 0.00 C ATOM 1998 CD ARG A 121 11.651 54.861 -17.094 1.00 0.00 C ATOM 1999 NE ARG A 121 12.173 55.920 -17.970 1.00 0.00 N ATOM 2000 CZ ARG A 121 11.663 56.257 -19.170 1.00 0.00 C ATOM 2001 NH1 ARG A 121 10.564 55.680 -19.636 1.00 0.00 N ATOM 2002 NH2 ARG A 121 12.267 57.179 -19.901 1.00 0.00 N ATOM 0 H ARG A 121 10.692 54.755 -13.254 1.00 0.00 H new ATOM 0 HA ARG A 121 13.316 55.934 -13.298 1.00 0.00 H new ATOM 0 HB2 ARG A 121 10.810 56.372 -14.989 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.382 57.051 -15.360 1.00 0.00 H new ATOM 0 HG2 ARG A 121 13.340 54.838 -15.749 1.00 0.00 H new ATOM 0 HG3 ARG A 121 11.914 54.041 -15.114 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.861 53.889 -17.541 1.00 0.00 H new ATOM 0 HD3 ARG A 121 10.567 54.953 -17.026 1.00 0.00 H new ATOM 0 HE ARG A 121 12.986 56.441 -17.643 1.00 0.00 H new ATOM 0 HH11 ARG A 121 10.089 54.967 -19.083 1.00 0.00 H new ATOM 0 HH12 ARG A 121 10.194 55.949 -20.547 1.00 0.00 H new ATOM 0 HH21 ARG A 121 13.114 57.630 -19.555 1.00 0.00 H new ATOM 0 HH22 ARG A 121 11.886 57.439 -20.811 1.00 0.00 H new ATOM 2016 N LEU A 122 10.966 57.625 -11.905 1.00 0.00 N ATOM 2017 CA LEU A 122 10.662 58.806 -11.081 1.00 0.00 C ATOM 2018 C LEU A 122 11.301 58.668 -9.669 1.00 0.00 C ATOM 2019 O LEU A 122 11.705 59.664 -9.056 1.00 0.00 O ATOM 2020 CB LEU A 122 9.116 58.962 -10.989 1.00 0.00 C ATOM 2021 CG LEU A 122 8.582 60.294 -10.367 1.00 0.00 C ATOM 2022 CD1 LEU A 122 9.059 61.531 -11.178 1.00 0.00 C ATOM 2023 CD2 LEU A 122 7.037 60.271 -10.251 1.00 0.00 C ATOM 0 H LEU A 122 10.285 56.873 -11.801 1.00 0.00 H new ATOM 0 HA LEU A 122 11.086 59.699 -11.540 1.00 0.00 H new ATOM 0 HB2 LEU A 122 8.704 58.866 -11.993 1.00 0.00 H new ATOM 0 HB3 LEU A 122 8.724 58.131 -10.402 1.00 0.00 H new ATOM 0 HG LEU A 122 8.997 60.378 -9.362 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.670 62.440 -10.718 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.148 61.565 -11.183 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.694 61.457 -12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 122 6.691 61.208 -9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.600 60.148 -11.242 1.00 0.00 H new ATOM 0 HD23 LEU A 122 6.732 59.441 -9.614 1.00 0.00 H new ATOM 2035 N GLN A 123 11.409 57.407 -9.186 1.00 0.00 N ATOM 2036 CA GLN A 123 11.800 57.079 -7.790 1.00 0.00 C ATOM 2037 C GLN A 123 13.324 56.950 -7.620 1.00 0.00 C ATOM 2038 O GLN A 123 13.853 57.245 -6.537 1.00 0.00 O ATOM 2039 CB GLN A 123 11.108 55.752 -7.342 1.00 0.00 C ATOM 2040 CG GLN A 123 11.324 55.340 -5.865 1.00 0.00 C ATOM 2041 CD GLN A 123 10.803 56.372 -4.858 1.00 0.00 C ATOM 2042 OE1 GLN A 123 9.640 56.334 -4.452 1.00 0.00 O ATOM 2043 NE2 GLN A 123 11.659 57.297 -4.447 1.00 0.00 N ATOM 0 H GLN A 123 11.226 56.582 -9.757 1.00 0.00 H new ATOM 0 HA GLN A 123 11.470 57.906 -7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 123 10.037 55.846 -7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 123 11.467 54.945 -7.980 1.00 0.00 H new ATOM 0 HG2 GLN A 123 10.827 54.387 -5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 123 12.389 55.182 -5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 123 12.615 57.301 -4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 123 11.362 58.005 -3.775 1.00 0.00 H new