USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=18 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 43 LYS NZ :NH3+ -124:sc= 0.224 (180deg=0) USER MOD Set 1.2: A 84 TYR OH : rot 165:sc= 0.216 USER MOD Single : A 24 MET CE :methyl 162:sc= 0 (180deg=-0.33) 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+ -178:sc= 2.26 (180deg=2.17) USER MOD Single : A 31 GLN : amide:sc= 0.129 K(o=0.13,f=-0.49) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.159 K(o=-0.16,f=1) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc=-0.00306 (180deg=-0.0639) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -1.89 K(o=-1.9,f=-4.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 150:sc= -1.29 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot -8:sc= 0.23 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 180:sc= 0 USER MOD Single : A 87 SER OG : rot 69:sc= 0.963 USER MOD Single : A 88 CYS SG : rot 67:sc= -0.991 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 175:sc= 0.641 (180deg=0.625) USER MOD Single : A 120 LYS NZ :NH3+ 174:sc= -0.0102 (180deg=-0.101) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 296 N ARG A 22 -8.675 26.617 -17.835 1.00 0.00 N ATOM 297 CA ARG A 22 -10.062 26.750 -18.311 1.00 0.00 C ATOM 298 C ARG A 22 -11.066 26.571 -17.144 1.00 0.00 C ATOM 299 O ARG A 22 -10.751 25.886 -16.160 1.00 0.00 O ATOM 300 CB ARG A 22 -10.329 25.703 -19.426 1.00 0.00 C ATOM 301 CG ARG A 22 -9.509 25.920 -20.716 1.00 0.00 C ATOM 302 CD ARG A 22 -9.878 24.922 -21.824 1.00 0.00 C ATOM 303 NE ARG A 22 -9.203 25.251 -23.088 1.00 0.00 N ATOM 304 CZ ARG A 22 -9.808 25.435 -24.275 1.00 0.00 C ATOM 305 NH1 ARG A 22 -11.127 25.337 -24.395 1.00 0.00 N ATOM 306 NH2 ARG A 22 -9.076 25.724 -25.343 1.00 0.00 N ATOM 0 HA ARG A 22 -10.201 27.751 -18.718 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.111 24.710 -19.034 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.390 25.720 -19.677 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.670 26.935 -21.078 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.447 25.828 -20.487 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.603 23.914 -21.514 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.958 24.926 -21.974 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.188 25.348 -23.062 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.699 25.119 -23.579 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.568 25.480 -25.303 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.063 25.805 -25.260 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.527 25.865 -26.247 1.00 0.00 H new ATOM 320 N PRO A 23 -12.290 27.208 -17.223 1.00 0.00 N ATOM 321 CA PRO A 23 -13.370 26.991 -16.232 1.00 0.00 C ATOM 322 C PRO A 23 -13.918 25.552 -16.320 1.00 0.00 C ATOM 323 O PRO A 23 -13.796 24.886 -17.359 1.00 0.00 O ATOM 324 CB PRO A 23 -14.445 28.050 -16.613 1.00 0.00 C ATOM 325 CG PRO A 23 -14.214 28.306 -18.071 1.00 0.00 C ATOM 326 CD PRO A 23 -12.712 28.192 -18.269 1.00 0.00 C ATOM 0 HA PRO A 23 -13.033 27.104 -15.201 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -15.453 27.677 -16.430 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.331 28.961 -16.026 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -14.747 27.581 -18.686 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.574 29.294 -18.358 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.466 27.841 -19.271 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.217 29.154 -18.137 1.00 0.00 H new ATOM 334 N MET A 24 -14.511 25.082 -15.218 1.00 0.00 N ATOM 335 CA MET A 24 -14.960 23.682 -15.081 1.00 0.00 C ATOM 336 C MET A 24 -16.497 23.593 -15.268 1.00 0.00 C ATOM 337 O MET A 24 -17.165 24.626 -15.423 1.00 0.00 O ATOM 338 CB MET A 24 -14.492 23.131 -13.704 1.00 0.00 C ATOM 339 CG MET A 24 -13.000 23.388 -13.394 1.00 0.00 C ATOM 340 SD MET A 24 -12.496 22.750 -11.783 1.00 0.00 S ATOM 341 CE MET A 24 -10.920 23.570 -11.505 1.00 0.00 C ATOM 0 H MET A 24 -14.696 25.655 -14.395 1.00 0.00 H new ATOM 0 HA MET A 24 -14.514 23.062 -15.858 1.00 0.00 H new ATOM 0 HB2 MET A 24 -15.098 23.583 -12.919 1.00 0.00 H new ATOM 0 HB3 MET A 24 -14.679 22.058 -13.672 1.00 0.00 H new ATOM 0 HG2 MET A 24 -12.389 22.926 -14.169 1.00 0.00 H new ATOM 0 HG3 MET A 24 -12.806 24.460 -13.431 1.00 0.00 H new ATOM 0 HE1 MET A 24 -10.666 23.521 -10.446 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.144 23.074 -12.088 1.00 0.00 H new ATOM 0 HE3 MET A 24 -10.993 24.613 -11.813 1.00 0.00 H new ATOM 351 N SER A 25 -17.038 22.361 -15.231 1.00 0.00 N ATOM 352 CA SER A 25 -18.439 22.064 -15.620 1.00 0.00 C ATOM 353 C SER A 25 -19.463 22.699 -14.649 1.00 0.00 C ATOM 354 O SER A 25 -19.263 22.650 -13.443 1.00 0.00 O ATOM 355 CB SER A 25 -18.619 20.534 -15.691 1.00 0.00 C ATOM 356 OG SER A 25 -19.871 20.190 -16.242 1.00 0.00 O ATOM 0 H SER A 25 -16.518 21.537 -14.930 1.00 0.00 H new ATOM 0 HA SER A 25 -18.631 22.506 -16.598 1.00 0.00 H new ATOM 0 HB2 SER A 25 -17.822 20.100 -16.295 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.530 20.108 -14.691 1.00 0.00 H new ATOM 0 HG SER A 25 -19.956 19.214 -16.276 1.00 0.00 H new ATOM 362 N TYR A 26 -20.568 23.265 -15.211 1.00 0.00 N ATOM 363 CA TYR A 26 -21.577 24.056 -14.454 1.00 0.00 C ATOM 364 C TYR A 26 -22.345 23.223 -13.411 1.00 0.00 C ATOM 365 O TYR A 26 -22.394 23.593 -12.243 1.00 0.00 O ATOM 366 CB TYR A 26 -22.593 24.732 -15.422 1.00 0.00 C ATOM 367 CG TYR A 26 -22.006 25.883 -16.260 1.00 0.00 C ATOM 368 CD1 TYR A 26 -21.586 27.066 -15.644 1.00 0.00 C ATOM 369 CD2 TYR A 26 -21.899 25.802 -17.650 1.00 0.00 C ATOM 370 CE1 TYR A 26 -21.069 28.110 -16.380 1.00 0.00 C ATOM 371 CE2 TYR A 26 -21.382 26.848 -18.386 1.00 0.00 C ATOM 372 CZ TYR A 26 -20.977 28.001 -17.748 1.00 0.00 C ATOM 373 OH TYR A 26 -20.459 29.056 -18.483 1.00 0.00 O ATOM 0 H TYR A 26 -20.783 23.184 -16.205 1.00 0.00 H new ATOM 0 HA TYR A 26 -21.013 24.817 -13.914 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -22.992 23.975 -16.097 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -23.432 25.114 -14.840 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -21.668 27.163 -14.572 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -22.226 24.906 -18.157 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -20.737 29.010 -15.884 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -21.295 26.764 -19.459 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.460 28.823 -19.435 1.00 0.00 H new ATOM 383 N ASP A 27 -22.971 22.129 -13.868 1.00 0.00 N ATOM 384 CA ASP A 27 -23.782 21.227 -13.012 1.00 0.00 C ATOM 385 C ASP A 27 -22.935 20.641 -11.865 1.00 0.00 C ATOM 386 O ASP A 27 -23.389 20.572 -10.721 1.00 0.00 O ATOM 387 CB ASP A 27 -24.411 20.101 -13.877 1.00 0.00 C ATOM 388 CG ASP A 27 -25.215 19.051 -13.079 1.00 0.00 C ATOM 389 OD1 ASP A 27 -24.793 17.877 -13.017 1.00 0.00 O ATOM 390 OD2 ASP A 27 -26.265 19.399 -12.497 1.00 0.00 O ATOM 0 H ASP A 27 -22.934 21.837 -14.845 1.00 0.00 H new ATOM 0 HA ASP A 27 -24.586 21.806 -12.558 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -25.068 20.555 -14.619 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -23.616 19.593 -14.423 1.00 0.00 H new ATOM 395 N GLU A 28 -21.699 20.248 -12.207 1.00 0.00 N ATOM 396 CA GLU A 28 -20.688 19.737 -11.261 1.00 0.00 C ATOM 397 C GLU A 28 -20.310 20.818 -10.219 1.00 0.00 C ATOM 398 O GLU A 28 -20.231 20.532 -9.026 1.00 0.00 O ATOM 399 CB GLU A 28 -19.464 19.224 -12.089 1.00 0.00 C ATOM 400 CG GLU A 28 -18.224 18.719 -11.290 1.00 0.00 C ATOM 401 CD GLU A 28 -17.179 19.817 -11.004 1.00 0.00 C ATOM 402 OE1 GLU A 28 -16.669 20.426 -11.976 1.00 0.00 O ATOM 403 OE2 GLU A 28 -16.860 20.071 -9.821 1.00 0.00 O ATOM 0 H GLU A 28 -21.364 20.276 -13.170 1.00 0.00 H new ATOM 0 HA GLU A 28 -21.086 18.903 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.806 18.412 -12.730 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -19.137 20.031 -12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -18.561 18.296 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -17.747 17.913 -11.848 1.00 0.00 H new ATOM 410 N LYS A 29 -20.106 22.057 -10.709 1.00 0.00 N ATOM 411 CA LYS A 29 -19.779 23.251 -9.892 1.00 0.00 C ATOM 412 C LYS A 29 -20.905 23.578 -8.893 1.00 0.00 C ATOM 413 O LYS A 29 -20.646 23.919 -7.737 1.00 0.00 O ATOM 414 CB LYS A 29 -19.512 24.481 -10.843 1.00 0.00 C ATOM 415 CG LYS A 29 -18.095 25.082 -10.820 1.00 0.00 C ATOM 416 CD LYS A 29 -16.966 24.112 -11.244 1.00 0.00 C ATOM 417 CE LYS A 29 -16.342 23.355 -10.067 1.00 0.00 C ATOM 418 NZ LYS A 29 -15.229 22.474 -10.498 1.00 0.00 N ATOM 0 H LYS A 29 -20.165 22.264 -11.706 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.881 23.036 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.734 24.175 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -20.219 25.269 -10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.074 25.950 -11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.885 25.441 -9.813 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.365 23.392 -11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.187 24.675 -11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.974 24.070 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.108 22.756 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.858 21.956 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.577 21.797 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.471 23.051 -10.914 1.00 0.00 H new ATOM 432 N ARG A 30 -22.145 23.458 -9.374 1.00 0.00 N ATOM 433 CA ARG A 30 -23.359 23.828 -8.633 1.00 0.00 C ATOM 434 C ARG A 30 -23.556 22.851 -7.458 1.00 0.00 C ATOM 435 O ARG A 30 -23.802 23.266 -6.317 1.00 0.00 O ATOM 436 CB ARG A 30 -24.569 23.816 -9.626 1.00 0.00 C ATOM 437 CG ARG A 30 -25.871 24.507 -9.146 1.00 0.00 C ATOM 438 CD ARG A 30 -26.666 23.709 -8.107 1.00 0.00 C ATOM 439 NE ARG A 30 -27.903 24.404 -7.730 1.00 0.00 N ATOM 440 CZ ARG A 30 -28.054 25.193 -6.658 1.00 0.00 C ATOM 441 NH1 ARG A 30 -27.036 25.456 -5.846 1.00 0.00 N ATOM 442 NH2 ARG A 30 -29.238 25.731 -6.410 1.00 0.00 N ATOM 0 H ARG A 30 -22.340 23.094 -10.307 1.00 0.00 H new ATOM 0 HA ARG A 30 -23.275 24.830 -8.212 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -24.253 24.293 -10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -24.803 22.779 -9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.617 25.479 -8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -26.509 24.692 -10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -26.908 22.725 -8.509 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -26.052 23.549 -7.221 1.00 0.00 H new ATOM 0 HE ARG A 30 -28.715 24.275 -8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.117 25.054 -6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -27.173 26.060 -5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -30.024 25.543 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -29.364 26.333 -5.597 1.00 0.00 H new ATOM 456 N GLN A 31 -23.454 21.551 -7.773 1.00 0.00 N ATOM 457 CA GLN A 31 -23.556 20.475 -6.779 1.00 0.00 C ATOM 458 C GLN A 31 -22.366 20.526 -5.803 1.00 0.00 C ATOM 459 O GLN A 31 -22.487 20.113 -4.643 1.00 0.00 O ATOM 460 CB GLN A 31 -23.626 19.097 -7.487 1.00 0.00 C ATOM 461 CG GLN A 31 -24.861 18.911 -8.396 1.00 0.00 C ATOM 462 CD GLN A 31 -24.947 17.526 -9.043 1.00 0.00 C ATOM 463 OE1 GLN A 31 -24.487 16.537 -8.480 1.00 0.00 O ATOM 464 NE2 GLN A 31 -25.522 17.447 -10.232 1.00 0.00 N ATOM 0 H GLN A 31 -23.298 21.217 -8.724 1.00 0.00 H new ATOM 0 HA GLN A 31 -24.472 20.616 -6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -22.725 18.963 -8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -23.625 18.312 -6.730 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -25.763 19.084 -7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.841 19.668 -9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -25.895 18.287 -10.675 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -25.592 16.546 -10.706 1.00 0.00 H new ATOM 473 N LEU A 32 -21.222 21.041 -6.291 1.00 0.00 N ATOM 474 CA LEU A 32 -20.020 21.241 -5.477 1.00 0.00 C ATOM 475 C LEU A 32 -20.245 22.347 -4.434 1.00 0.00 C ATOM 476 O LEU A 32 -19.755 22.221 -3.325 1.00 0.00 O ATOM 477 CB LEU A 32 -18.798 21.564 -6.366 1.00 0.00 C ATOM 478 CG LEU A 32 -17.447 21.843 -5.628 1.00 0.00 C ATOM 479 CD1 LEU A 32 -17.019 20.666 -4.708 1.00 0.00 C ATOM 480 CD2 LEU A 32 -16.350 22.177 -6.651 1.00 0.00 C ATOM 0 H LEU A 32 -21.110 21.329 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.814 20.311 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.646 20.730 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -19.040 22.436 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.598 22.703 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.076 20.910 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.786 20.498 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.895 19.763 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.413 22.370 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.220 21.336 -7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.639 23.062 -7.218 1.00 0.00 H new ATOM 492 N SER A 33 -20.992 23.416 -4.791 1.00 0.00 N ATOM 493 CA SER A 33 -21.380 24.474 -3.827 1.00 0.00 C ATOM 494 C SER A 33 -22.187 23.850 -2.674 1.00 0.00 C ATOM 495 O SER A 33 -21.904 24.095 -1.496 1.00 0.00 O ATOM 496 CB SER A 33 -22.199 25.584 -4.525 1.00 0.00 C ATOM 497 OG SER A 33 -22.459 26.686 -3.657 1.00 0.00 O ATOM 0 H SER A 33 -21.338 23.570 -5.738 1.00 0.00 H new ATOM 0 HA SER A 33 -20.476 24.931 -3.425 1.00 0.00 H new ATOM 0 HB2 SER A 33 -21.658 25.935 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 33 -23.144 25.170 -4.877 1.00 0.00 H new ATOM 0 HG SER A 33 -22.977 27.365 -4.137 1.00 0.00 H new ATOM 503 N LEU A 34 -23.149 22.997 -3.059 1.00 0.00 N ATOM 504 CA LEU A 34 -23.999 22.228 -2.130 1.00 0.00 C ATOM 505 C LEU A 34 -23.135 21.281 -1.253 1.00 0.00 C ATOM 506 O LEU A 34 -23.470 21.023 -0.089 1.00 0.00 O ATOM 507 CB LEU A 34 -25.075 21.473 -2.976 1.00 0.00 C ATOM 508 CG LEU A 34 -26.190 20.663 -2.208 1.00 0.00 C ATOM 509 CD1 LEU A 34 -27.525 20.669 -2.993 1.00 0.00 C ATOM 510 CD2 LEU A 34 -25.748 19.202 -1.929 1.00 0.00 C ATOM 0 H LEU A 34 -23.363 22.818 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 34 -24.512 22.888 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -25.573 22.205 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -24.554 20.779 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 34 -26.342 21.162 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -28.275 20.103 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -27.867 21.696 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -27.374 20.212 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -26.542 18.677 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -25.546 18.696 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -24.845 19.205 -1.319 1.00 0.00 H new ATOM 522 N ASP A 35 -22.008 20.803 -1.832 1.00 0.00 N ATOM 523 CA ASP A 35 -21.034 19.922 -1.142 1.00 0.00 C ATOM 524 C ASP A 35 -20.115 20.729 -0.199 1.00 0.00 C ATOM 525 O ASP A 35 -19.642 20.198 0.786 1.00 0.00 O ATOM 526 CB ASP A 35 -20.189 19.137 -2.185 1.00 0.00 C ATOM 527 CG ASP A 35 -19.260 18.070 -1.564 1.00 0.00 C ATOM 528 OD1 ASP A 35 -18.042 18.318 -1.421 1.00 0.00 O ATOM 529 OD2 ASP A 35 -19.763 16.980 -1.193 1.00 0.00 O ATOM 0 H ASP A 35 -21.747 21.018 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.593 19.212 -0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -20.862 18.651 -2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.585 19.844 -2.754 1.00 0.00 H new ATOM 534 N ILE A 36 -19.860 22.016 -0.508 1.00 0.00 N ATOM 535 CA ILE A 36 -19.037 22.902 0.359 1.00 0.00 C ATOM 536 C ILE A 36 -19.815 23.212 1.659 1.00 0.00 C ATOM 537 O ILE A 36 -19.233 23.320 2.748 1.00 0.00 O ATOM 538 CB ILE A 36 -18.634 24.244 -0.385 1.00 0.00 C ATOM 539 CG1 ILE A 36 -17.749 23.930 -1.644 1.00 0.00 C ATOM 540 CG2 ILE A 36 -17.907 25.240 0.561 1.00 0.00 C ATOM 541 CD1 ILE A 36 -17.418 25.130 -2.526 1.00 0.00 C ATOM 0 H ILE A 36 -20.210 22.471 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.111 22.381 0.603 1.00 0.00 H new ATOM 0 HB ILE A 36 -19.556 24.724 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.815 23.479 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.262 23.185 -2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.650 26.144 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.563 25.497 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -16.997 24.779 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.804 24.806 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -18.341 25.572 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.872 25.871 -1.942 1.00 0.00 H new ATOM 553 N ASN A 37 -21.151 23.302 1.522 1.00 0.00 N ATOM 554 CA ASN A 37 -22.071 23.569 2.648 1.00 0.00 C ATOM 555 C ASN A 37 -22.205 22.368 3.627 1.00 0.00 C ATOM 556 O ASN A 37 -22.853 22.508 4.665 1.00 0.00 O ATOM 557 CB ASN A 37 -23.475 24.005 2.114 1.00 0.00 C ATOM 558 CG ASN A 37 -23.484 25.400 1.466 1.00 0.00 C ATOM 559 OD1 ASN A 37 -23.301 25.548 0.263 1.00 0.00 O ATOM 560 ND2 ASN A 37 -23.693 26.438 2.265 1.00 0.00 N ATOM 0 H ASN A 37 -21.626 23.192 0.626 1.00 0.00 H new ATOM 0 HA ASN A 37 -21.633 24.386 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -23.820 23.273 1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -24.188 23.993 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -23.704 27.383 1.881 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -23.843 26.291 3.263 1.00 0.00 H new ATOM 567 N LYS A 38 -21.583 21.199 3.311 1.00 0.00 N ATOM 568 CA LYS A 38 -21.614 20.010 4.219 1.00 0.00 C ATOM 569 C LYS A 38 -20.663 20.213 5.421 1.00 0.00 C ATOM 570 O LYS A 38 -20.795 19.546 6.457 1.00 0.00 O ATOM 571 CB LYS A 38 -21.258 18.689 3.475 1.00 0.00 C ATOM 572 CG LYS A 38 -19.746 18.427 3.253 1.00 0.00 C ATOM 573 CD LYS A 38 -19.473 17.155 2.409 1.00 0.00 C ATOM 574 CE LYS A 38 -19.996 15.870 3.074 1.00 0.00 C ATOM 575 NZ LYS A 38 -19.359 15.626 4.387 1.00 0.00 N ATOM 0 H LYS A 38 -21.060 21.052 2.448 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.637 19.918 4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -21.674 17.853 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -21.753 18.696 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.302 19.289 2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.253 18.328 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.940 17.267 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.400 17.060 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.076 15.942 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.810 15.020 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.663 14.701 4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.325 15.632 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.641 16.373 5.054 1.00 0.00 H new ATOM 589 N LEU A 39 -19.693 21.123 5.251 1.00 0.00 N ATOM 590 CA LEU A 39 -18.758 21.523 6.318 1.00 0.00 C ATOM 591 C LEU A 39 -19.516 22.359 7.388 1.00 0.00 C ATOM 592 O LEU A 39 -20.561 22.941 7.062 1.00 0.00 O ATOM 593 CB LEU A 39 -17.582 22.333 5.695 1.00 0.00 C ATOM 594 CG LEU A 39 -16.777 21.609 4.565 1.00 0.00 C ATOM 595 CD1 LEU A 39 -15.730 22.550 3.923 1.00 0.00 C ATOM 596 CD2 LEU A 39 -16.119 20.300 5.084 1.00 0.00 C ATOM 0 H LEU A 39 -19.533 21.605 4.367 1.00 0.00 H new ATOM 0 HA LEU A 39 -18.346 20.640 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -17.981 23.264 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.889 22.603 6.492 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.488 21.331 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.189 22.014 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.234 23.413 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.027 22.887 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.568 19.823 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.434 20.535 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.893 19.622 5.445 1.00 0.00 H new ATOM 608 N PRO A 40 -19.036 22.411 8.677 1.00 0.00 N ATOM 609 CA PRO A 40 -19.695 23.207 9.758 1.00 0.00 C ATOM 610 C PRO A 40 -19.874 24.697 9.394 1.00 0.00 C ATOM 611 O PRO A 40 -19.056 25.258 8.660 1.00 0.00 O ATOM 612 CB PRO A 40 -18.732 23.051 10.963 1.00 0.00 C ATOM 613 CG PRO A 40 -18.018 21.758 10.707 1.00 0.00 C ATOM 614 CD PRO A 40 -17.843 21.684 9.202 1.00 0.00 C ATOM 0 HA PRO A 40 -20.707 22.852 9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.033 23.885 11.023 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.278 23.023 11.906 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.054 21.734 11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.595 20.911 11.077 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.913 22.155 8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -17.815 20.652 8.851 1.00 0.00 H new ATOM 622 N GLY A 41 -20.949 25.321 9.924 1.00 0.00 N ATOM 623 CA GLY A 41 -21.254 26.739 9.671 1.00 0.00 C ATOM 624 C GLY A 41 -20.132 27.678 10.111 1.00 0.00 C ATOM 625 O GLY A 41 -19.886 28.700 9.464 1.00 0.00 O ATOM 0 H GLY A 41 -21.622 24.857 10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -21.442 26.880 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -22.171 27.007 10.195 1.00 0.00 H new ATOM 629 N GLU A 42 -19.455 27.306 11.219 1.00 0.00 N ATOM 630 CA GLU A 42 -18.271 28.027 11.739 1.00 0.00 C ATOM 631 C GLU A 42 -17.106 28.006 10.723 1.00 0.00 C ATOM 632 O GLU A 42 -16.311 28.952 10.665 1.00 0.00 O ATOM 633 CB GLU A 42 -17.807 27.416 13.090 1.00 0.00 C ATOM 634 CG GLU A 42 -17.439 25.915 13.015 1.00 0.00 C ATOM 635 CD GLU A 42 -16.791 25.362 14.298 1.00 0.00 C ATOM 636 OE1 GLU A 42 -17.420 25.448 15.377 1.00 0.00 O ATOM 637 OE2 GLU A 42 -15.664 24.824 14.236 1.00 0.00 O ATOM 0 H GLU A 42 -19.715 26.495 11.780 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.564 29.064 11.900 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -16.942 27.973 13.450 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -18.600 27.548 13.827 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -18.340 25.341 12.800 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.756 25.761 12.180 1.00 0.00 H new ATOM 644 N LYS A 43 -17.032 26.930 9.916 1.00 0.00 N ATOM 645 CA LYS A 43 -15.974 26.766 8.903 1.00 0.00 C ATOM 646 C LYS A 43 -16.345 27.573 7.651 1.00 0.00 C ATOM 647 O LYS A 43 -15.475 28.193 7.026 1.00 0.00 O ATOM 648 CB LYS A 43 -15.771 25.259 8.548 1.00 0.00 C ATOM 649 CG LYS A 43 -14.637 24.983 7.523 1.00 0.00 C ATOM 650 CD LYS A 43 -13.256 25.456 8.037 1.00 0.00 C ATOM 651 CE LYS A 43 -12.152 25.365 6.970 1.00 0.00 C ATOM 652 NZ LYS A 43 -10.834 25.795 7.505 1.00 0.00 N ATOM 0 H LYS A 43 -17.697 26.158 9.948 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.032 27.138 9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.556 24.709 9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.706 24.864 8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.596 23.915 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.866 25.489 6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.337 26.487 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.970 24.854 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.080 24.340 6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.419 25.988 6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.453 26.562 6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.950 26.135 8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.176 24.990 7.494 1.00 0.00 H new ATOM 666 N LEU A 44 -17.659 27.611 7.338 1.00 0.00 N ATOM 667 CA LEU A 44 -18.208 28.442 6.249 1.00 0.00 C ATOM 668 C LEU A 44 -17.993 29.931 6.554 1.00 0.00 C ATOM 669 O LEU A 44 -17.824 30.721 5.644 1.00 0.00 O ATOM 670 CB LEU A 44 -19.718 28.123 5.996 1.00 0.00 C ATOM 671 CG LEU A 44 -20.028 26.961 4.990 1.00 0.00 C ATOM 672 CD1 LEU A 44 -19.335 25.638 5.381 1.00 0.00 C ATOM 673 CD2 LEU A 44 -21.555 26.770 4.844 1.00 0.00 C ATOM 0 H LEU A 44 -18.366 27.067 7.833 1.00 0.00 H new ATOM 0 HA LEU A 44 -17.671 28.202 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -20.180 27.879 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -20.202 29.029 5.631 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.616 27.250 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.583 24.868 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -18.255 25.785 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -19.677 25.326 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -21.755 25.960 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -21.985 26.524 5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -22.003 27.691 4.472 1.00 0.00 H new ATOM 685 N GLY A 45 -17.967 30.293 7.850 1.00 0.00 N ATOM 686 CA GLY A 45 -17.690 31.673 8.273 1.00 0.00 C ATOM 687 C GLY A 45 -16.327 32.199 7.794 1.00 0.00 C ATOM 688 O GLY A 45 -16.111 33.418 7.744 1.00 0.00 O ATOM 0 H GLY A 45 -18.135 29.646 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.476 32.326 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.729 31.726 9.361 1.00 0.00 H new ATOM 692 N ARG A 46 -15.410 31.268 7.434 1.00 0.00 N ATOM 693 CA ARG A 46 -14.071 31.604 6.909 1.00 0.00 C ATOM 694 C ARG A 46 -13.967 31.274 5.396 1.00 0.00 C ATOM 695 O ARG A 46 -13.245 31.962 4.666 1.00 0.00 O ATOM 696 CB ARG A 46 -12.969 30.864 7.722 1.00 0.00 C ATOM 697 CG ARG A 46 -11.538 31.417 7.499 1.00 0.00 C ATOM 698 CD ARG A 46 -11.393 32.873 7.996 1.00 0.00 C ATOM 699 NE ARG A 46 -10.062 33.429 7.706 1.00 0.00 N ATOM 700 CZ ARG A 46 -9.540 34.531 8.272 1.00 0.00 C ATOM 701 NH1 ARG A 46 -10.200 35.211 9.206 1.00 0.00 N ATOM 702 NH2 ARG A 46 -8.342 34.948 7.894 1.00 0.00 N ATOM 0 H ARG A 46 -15.581 30.265 7.501 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.917 32.677 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.210 30.929 8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.984 29.807 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.820 30.784 8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.293 31.371 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.155 33.494 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.573 32.908 9.070 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.489 32.938 7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.123 34.899 9.507 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.783 36.044 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.825 34.435 7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.936 35.783 8.316 1.00 0.00 H new ATOM 716 N VAL A 47 -14.681 30.215 4.937 1.00 0.00 N ATOM 717 CA VAL A 47 -14.723 29.831 3.498 1.00 0.00 C ATOM 718 C VAL A 47 -15.372 30.963 2.677 1.00 0.00 C ATOM 719 O VAL A 47 -14.830 31.400 1.670 1.00 0.00 O ATOM 720 CB VAL A 47 -15.504 28.475 3.242 1.00 0.00 C ATOM 721 CG1 VAL A 47 -15.572 28.134 1.727 1.00 0.00 C ATOM 722 CG2 VAL A 47 -14.866 27.307 4.027 1.00 0.00 C ATOM 0 H VAL A 47 -15.237 29.610 5.541 1.00 0.00 H new ATOM 0 HA VAL A 47 -13.692 29.672 3.182 1.00 0.00 H new ATOM 0 HB VAL A 47 -16.523 28.617 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.114 27.199 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.088 28.934 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.562 28.030 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.423 26.390 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.831 27.178 3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -14.893 27.528 5.094 1.00 0.00 H new ATOM 732 N VAL A 48 -16.533 31.431 3.148 1.00 0.00 N ATOM 733 CA VAL A 48 -17.252 32.580 2.565 1.00 0.00 C ATOM 734 C VAL A 48 -16.365 33.841 2.573 1.00 0.00 C ATOM 735 O VAL A 48 -16.397 34.622 1.625 1.00 0.00 O ATOM 736 CB VAL A 48 -18.595 32.859 3.348 1.00 0.00 C ATOM 737 CG1 VAL A 48 -19.294 34.158 2.877 1.00 0.00 C ATOM 738 CG2 VAL A 48 -19.552 31.643 3.239 1.00 0.00 C ATOM 0 H VAL A 48 -17.008 31.022 3.952 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.497 32.331 1.532 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.333 33.005 4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -20.212 34.304 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -18.629 35.007 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.533 34.078 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -20.472 31.854 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -19.786 31.457 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -19.071 30.762 3.665 1.00 0.00 H new ATOM 748 N HIS A 49 -15.551 33.985 3.636 1.00 0.00 N ATOM 749 CA HIS A 49 -14.703 35.170 3.854 1.00 0.00 C ATOM 750 C HIS A 49 -13.640 35.326 2.737 1.00 0.00 C ATOM 751 O HIS A 49 -13.393 36.443 2.270 1.00 0.00 O ATOM 752 CB HIS A 49 -14.039 35.106 5.252 1.00 0.00 C ATOM 753 CG HIS A 49 -13.417 36.403 5.713 1.00 0.00 C ATOM 754 ND1 HIS A 49 -12.060 36.617 5.836 1.00 0.00 N ATOM 755 CD2 HIS A 49 -14.009 37.568 6.094 1.00 0.00 C ATOM 756 CE1 HIS A 49 -11.876 37.866 6.286 1.00 0.00 C ATOM 757 NE2 HIS A 49 -13.028 38.485 6.454 1.00 0.00 N ATOM 0 H HIS A 49 -15.464 33.281 4.369 1.00 0.00 H new ATOM 0 HA HIS A 49 -15.342 36.052 3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -14.788 34.798 5.982 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -13.270 34.334 5.239 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -15.073 37.751 6.114 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.911 38.308 6.485 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -13.170 39.441 6.781 1.00 0.00 H new ATOM 765 N ILE A 50 -13.044 34.190 2.293 1.00 0.00 N ATOM 766 CA ILE A 50 -12.017 34.202 1.220 1.00 0.00 C ATOM 767 C ILE A 50 -12.666 34.475 -0.156 1.00 0.00 C ATOM 768 O ILE A 50 -12.071 35.148 -0.994 1.00 0.00 O ATOM 769 CB ILE A 50 -11.136 32.880 1.182 1.00 0.00 C ATOM 770 CG1 ILE A 50 -11.934 31.635 0.660 1.00 0.00 C ATOM 771 CG2 ILE A 50 -10.534 32.589 2.582 1.00 0.00 C ATOM 772 CD1 ILE A 50 -11.114 30.364 0.487 1.00 0.00 C ATOM 0 H ILE A 50 -13.255 33.261 2.658 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.333 35.017 1.456 1.00 0.00 H new ATOM 0 HB ILE A 50 -10.328 33.059 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.750 31.430 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.386 31.889 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.934 31.680 2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.905 33.425 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.340 32.457 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.757 29.563 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.314 30.542 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.683 30.076 1.446 1.00 0.00 H new ATOM 784 N ILE A 51 -13.907 33.973 -0.348 1.00 0.00 N ATOM 785 CA ILE A 51 -14.676 34.141 -1.608 1.00 0.00 C ATOM 786 C ILE A 51 -15.086 35.616 -1.803 1.00 0.00 C ATOM 787 O ILE A 51 -14.876 36.198 -2.872 1.00 0.00 O ATOM 788 CB ILE A 51 -15.967 33.224 -1.607 1.00 0.00 C ATOM 789 CG1 ILE A 51 -15.573 31.721 -1.427 1.00 0.00 C ATOM 790 CG2 ILE A 51 -16.833 33.419 -2.887 1.00 0.00 C ATOM 791 CD1 ILE A 51 -16.742 30.779 -1.183 1.00 0.00 C ATOM 0 H ILE A 51 -14.406 33.440 0.364 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.032 33.840 -2.434 1.00 0.00 H new ATOM 0 HB ILE A 51 -16.580 33.532 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.039 31.391 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.879 31.640 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -17.706 32.768 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.158 34.458 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -16.242 33.168 -3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.371 29.760 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.266 31.077 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -17.428 30.824 -2.029 1.00 0.00 H new ATOM 803 N GLN A 52 -15.654 36.204 -0.736 1.00 0.00 N ATOM 804 CA GLN A 52 -16.200 37.570 -0.756 1.00 0.00 C ATOM 805 C GLN A 52 -15.069 38.619 -0.758 1.00 0.00 C ATOM 806 O GLN A 52 -15.283 39.765 -1.161 1.00 0.00 O ATOM 807 CB GLN A 52 -17.154 37.782 0.449 1.00 0.00 C ATOM 808 CG GLN A 52 -16.466 37.844 1.828 1.00 0.00 C ATOM 809 CD GLN A 52 -17.420 37.989 3.026 1.00 0.00 C ATOM 810 OE1 GLN A 52 -17.119 37.526 4.121 1.00 0.00 O ATOM 811 NE2 GLN A 52 -18.565 38.640 2.833 1.00 0.00 N ATOM 0 H GLN A 52 -15.747 35.742 0.168 1.00 0.00 H new ATOM 0 HA GLN A 52 -16.770 37.700 -1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -17.708 38.708 0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -17.884 36.973 0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -15.874 36.939 1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -15.771 38.684 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -18.790 39.015 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.218 38.764 3.607 1.00 0.00 H new ATOM 820 N ALA A 53 -13.867 38.209 -0.289 1.00 0.00 N ATOM 821 CA ALA A 53 -12.651 39.040 -0.354 1.00 0.00 C ATOM 822 C ALA A 53 -12.224 39.257 -1.820 1.00 0.00 C ATOM 823 O ALA A 53 -11.734 40.331 -2.182 1.00 0.00 O ATOM 824 CB ALA A 53 -11.514 38.398 0.460 1.00 0.00 C ATOM 0 H ALA A 53 -13.718 37.297 0.142 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.872 40.014 0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.625 39.025 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.821 38.302 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.289 37.411 0.056 1.00 0.00 H new ATOM 830 N ARG A 54 -12.433 38.220 -2.653 1.00 0.00 N ATOM 831 CA ARG A 54 -12.097 38.256 -4.093 1.00 0.00 C ATOM 832 C ARG A 54 -13.231 38.918 -4.895 1.00 0.00 C ATOM 833 O ARG A 54 -12.976 39.647 -5.859 1.00 0.00 O ATOM 834 CB ARG A 54 -11.828 36.817 -4.620 1.00 0.00 C ATOM 835 CG ARG A 54 -10.812 36.020 -3.771 1.00 0.00 C ATOM 836 CD ARG A 54 -9.438 36.706 -3.651 1.00 0.00 C ATOM 837 NE ARG A 54 -8.623 36.079 -2.589 1.00 0.00 N ATOM 838 CZ ARG A 54 -7.597 35.238 -2.778 1.00 0.00 C ATOM 839 NH1 ARG A 54 -7.201 34.916 -4.001 1.00 0.00 N ATOM 840 NH2 ARG A 54 -6.961 34.726 -1.728 1.00 0.00 N ATOM 0 H ARG A 54 -12.839 37.335 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.192 38.850 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.770 36.270 -4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.462 36.878 -5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.223 35.871 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.679 35.032 -4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.912 36.643 -4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.574 37.765 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.864 36.307 -1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.679 35.310 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.419 34.275 -4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.255 34.974 -0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.180 34.085 -1.868 1.00 0.00 H new ATOM 854 N GLU A 55 -14.480 38.669 -4.475 1.00 0.00 N ATOM 855 CA GLU A 55 -15.689 39.149 -5.175 1.00 0.00 C ATOM 856 C GLU A 55 -16.444 40.206 -4.340 1.00 0.00 C ATOM 857 O GLU A 55 -17.127 39.852 -3.367 1.00 0.00 O ATOM 858 CB GLU A 55 -16.632 37.958 -5.478 1.00 0.00 C ATOM 859 CG GLU A 55 -16.024 36.871 -6.376 1.00 0.00 C ATOM 860 CD GLU A 55 -15.651 37.372 -7.783 1.00 0.00 C ATOM 861 OE1 GLU A 55 -14.453 37.576 -8.066 1.00 0.00 O ATOM 862 OE2 GLU A 55 -16.560 37.584 -8.611 1.00 0.00 O ATOM 0 H GLU A 55 -14.685 38.126 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.371 39.615 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.935 37.503 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.536 38.339 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.132 36.470 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.734 36.049 -6.468 1.00 0.00 H new ATOM 869 N PRO A 56 -16.329 41.528 -4.701 1.00 0.00 N ATOM 870 CA PRO A 56 -17.186 42.591 -4.121 1.00 0.00 C ATOM 871 C PRO A 56 -18.656 42.452 -4.584 1.00 0.00 C ATOM 872 O PRO A 56 -19.563 43.073 -4.023 1.00 0.00 O ATOM 873 CB PRO A 56 -16.535 43.901 -4.636 1.00 0.00 C ATOM 874 CG PRO A 56 -15.868 43.505 -5.915 1.00 0.00 C ATOM 875 CD PRO A 56 -15.358 42.093 -5.687 1.00 0.00 C ATOM 0 HA PRO A 56 -17.237 42.550 -3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -17.282 44.678 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.816 44.297 -3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.568 43.539 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.050 44.183 -6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -15.344 41.517 -6.612 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.341 42.092 -5.295 1.00 0.00 H new ATOM 883 N SER A 57 -18.861 41.611 -5.612 1.00 0.00 N ATOM 884 CA SER A 57 -20.178 41.286 -6.166 1.00 0.00 C ATOM 885 C SER A 57 -20.960 40.288 -5.274 1.00 0.00 C ATOM 886 O SER A 57 -22.172 40.155 -5.432 1.00 0.00 O ATOM 887 CB SER A 57 -19.981 40.691 -7.579 1.00 0.00 C ATOM 888 OG SER A 57 -19.201 41.551 -8.392 1.00 0.00 O ATOM 0 H SER A 57 -18.097 41.131 -6.088 1.00 0.00 H new ATOM 0 HA SER A 57 -20.769 42.201 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.495 39.718 -7.503 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.952 40.526 -8.046 1.00 0.00 H new ATOM 0 HG SER A 57 -19.090 41.150 -9.280 1.00 0.00 H new ATOM 894 N LEU A 58 -20.249 39.570 -4.365 1.00 0.00 N ATOM 895 CA LEU A 58 -20.860 38.500 -3.524 1.00 0.00 C ATOM 896 C LEU A 58 -20.840 38.826 -2.017 1.00 0.00 C ATOM 897 O LEU A 58 -21.498 38.134 -1.236 1.00 0.00 O ATOM 898 CB LEU A 58 -20.147 37.136 -3.766 1.00 0.00 C ATOM 899 CG LEU A 58 -20.188 36.573 -5.227 1.00 0.00 C ATOM 900 CD1 LEU A 58 -19.522 35.174 -5.320 1.00 0.00 C ATOM 901 CD2 LEU A 58 -21.634 36.552 -5.788 1.00 0.00 C ATOM 0 H LEU A 58 -19.253 39.711 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 58 -21.904 38.437 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.103 37.240 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -20.594 36.395 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 58 -19.606 37.251 -5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -19.570 34.816 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -18.480 35.246 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.048 34.476 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -21.625 36.156 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.260 35.920 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -22.035 37.565 -5.798 1.00 0.00 H new ATOM 913 N ARG A 59 -20.097 39.877 -1.616 1.00 0.00 N ATOM 914 CA ARG A 59 -19.881 40.206 -0.179 1.00 0.00 C ATOM 915 C ARG A 59 -21.168 40.659 0.543 1.00 0.00 C ATOM 916 O ARG A 59 -21.281 40.540 1.775 1.00 0.00 O ATOM 917 CB ARG A 59 -18.727 41.249 -0.030 1.00 0.00 C ATOM 918 CG ARG A 59 -18.864 42.563 -0.847 1.00 0.00 C ATOM 919 CD ARG A 59 -19.837 43.584 -0.242 1.00 0.00 C ATOM 920 NE ARG A 59 -19.910 44.823 -1.036 1.00 0.00 N ATOM 921 CZ ARG A 59 -19.887 46.063 -0.533 1.00 0.00 C ATOM 922 NH1 ARG A 59 -19.756 46.267 0.772 1.00 0.00 N ATOM 923 NH2 ARG A 59 -19.985 47.108 -1.343 1.00 0.00 N ATOM 0 H ARG A 59 -19.634 40.517 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 59 -19.582 39.285 0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.640 41.511 1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.793 40.766 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.881 43.025 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.195 42.317 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -20.830 43.140 -0.173 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.524 43.824 0.774 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.984 44.728 -2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.671 45.473 1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.740 47.218 1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.078 46.967 -2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.968 48.053 -0.960 1.00 0.00 H new ATOM 937 N ASP A 60 -22.109 41.181 -0.245 1.00 0.00 N ATOM 938 CA ASP A 60 -23.408 41.696 0.229 1.00 0.00 C ATOM 939 C ASP A 60 -24.402 40.554 0.499 1.00 0.00 C ATOM 940 O ASP A 60 -25.379 40.735 1.240 1.00 0.00 O ATOM 941 CB ASP A 60 -23.994 42.675 -0.826 1.00 0.00 C ATOM 942 CG ASP A 60 -24.189 42.030 -2.216 1.00 0.00 C ATOM 943 OD1 ASP A 60 -23.175 41.745 -2.898 1.00 0.00 O ATOM 944 OD2 ASP A 60 -25.343 41.798 -2.630 1.00 0.00 O ATOM 0 H ASP A 60 -21.993 41.262 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 60 -23.245 42.222 1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -24.953 43.051 -0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -23.331 43.535 -0.922 1.00 0.00 H new ATOM 949 N SER A 61 -24.154 39.391 -0.128 1.00 0.00 N ATOM 950 CA SER A 61 -25.004 38.202 0.015 1.00 0.00 C ATOM 951 C SER A 61 -24.785 37.553 1.398 1.00 0.00 C ATOM 952 O SER A 61 -23.634 37.370 1.820 1.00 0.00 O ATOM 953 CB SER A 61 -24.694 37.205 -1.124 1.00 0.00 C ATOM 954 OG SER A 61 -25.626 36.141 -1.164 1.00 0.00 O ATOM 0 H SER A 61 -23.357 39.251 -0.749 1.00 0.00 H new ATOM 0 HA SER A 61 -26.052 38.493 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 61 -24.703 37.731 -2.079 1.00 0.00 H new ATOM 0 HB3 SER A 61 -23.690 36.803 -0.991 1.00 0.00 H new ATOM 0 HG SER A 61 -25.724 35.827 -2.087 1.00 0.00 H new ATOM 960 N ASN A 62 -25.904 37.238 2.097 1.00 0.00 N ATOM 961 CA ASN A 62 -25.890 36.585 3.433 1.00 0.00 C ATOM 962 C ASN A 62 -25.101 35.247 3.386 1.00 0.00 C ATOM 963 O ASN A 62 -25.400 34.405 2.541 1.00 0.00 O ATOM 964 CB ASN A 62 -27.352 36.351 3.934 1.00 0.00 C ATOM 965 CG ASN A 62 -27.988 37.620 4.510 1.00 0.00 C ATOM 966 OD1 ASN A 62 -27.912 37.861 5.711 1.00 0.00 O ATOM 967 ND2 ASN A 62 -28.622 38.430 3.676 1.00 0.00 N ATOM 0 H ASN A 62 -26.844 37.430 1.751 1.00 0.00 H new ATOM 0 HA ASN A 62 -25.384 37.246 4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.962 35.987 3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -27.351 35.572 4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -29.063 39.280 4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -28.669 38.204 2.682 1.00 0.00 H new ATOM 974 N PRO A 63 -24.125 35.021 4.334 1.00 0.00 N ATOM 975 CA PRO A 63 -23.073 33.965 4.205 1.00 0.00 C ATOM 976 C PRO A 63 -23.614 32.518 4.175 1.00 0.00 C ATOM 977 O PRO A 63 -22.923 31.619 3.693 1.00 0.00 O ATOM 978 CB PRO A 63 -22.172 34.203 5.449 1.00 0.00 C ATOM 979 CG PRO A 63 -23.086 34.850 6.442 1.00 0.00 C ATOM 980 CD PRO A 63 -23.990 35.754 5.627 1.00 0.00 C ATOM 0 HA PRO A 63 -22.552 34.050 3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -21.766 33.267 5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -21.324 34.845 5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -23.664 34.104 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -22.523 35.420 7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -24.956 35.900 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -23.551 36.742 5.486 1.00 0.00 H new ATOM 988 N GLU A 64 -24.833 32.304 4.702 1.00 0.00 N ATOM 989 CA GLU A 64 -25.501 30.992 4.640 1.00 0.00 C ATOM 990 C GLU A 64 -25.874 30.654 3.180 1.00 0.00 C ATOM 991 O GLU A 64 -25.497 29.599 2.652 1.00 0.00 O ATOM 992 CB GLU A 64 -26.769 30.979 5.539 1.00 0.00 C ATOM 993 CG GLU A 64 -26.479 31.199 7.040 1.00 0.00 C ATOM 994 CD GLU A 64 -27.741 31.098 7.914 1.00 0.00 C ATOM 995 OE1 GLU A 64 -28.384 32.138 8.178 1.00 0.00 O ATOM 996 OE2 GLU A 64 -28.112 29.980 8.322 1.00 0.00 O ATOM 0 H GLU A 64 -25.376 33.025 5.177 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.811 30.234 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.454 31.754 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.280 30.024 5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.750 30.461 7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -26.026 32.181 7.177 1.00 0.00 H new ATOM 1003 N GLU A 65 -26.574 31.596 2.532 1.00 0.00 N ATOM 1004 CA GLU A 65 -27.085 31.431 1.158 1.00 0.00 C ATOM 1005 C GLU A 65 -26.272 32.277 0.160 1.00 0.00 C ATOM 1006 O GLU A 65 -26.814 32.674 -0.884 1.00 0.00 O ATOM 1007 CB GLU A 65 -28.586 31.840 1.098 1.00 0.00 C ATOM 1008 CG GLU A 65 -29.534 30.970 1.940 1.00 0.00 C ATOM 1009 CD GLU A 65 -31.005 31.400 1.800 1.00 0.00 C ATOM 1010 OE1 GLU A 65 -31.710 30.885 0.905 1.00 0.00 O ATOM 1011 OE2 GLU A 65 -31.452 32.284 2.557 1.00 0.00 O ATOM 0 H GLU A 65 -26.804 32.499 2.946 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.983 30.382 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.678 32.875 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.914 31.807 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -29.432 29.928 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -29.240 31.027 2.988 1.00 0.00 H new ATOM 1018 N ILE A 66 -24.979 32.550 0.463 1.00 0.00 N ATOM 1019 CA ILE A 66 -24.118 33.328 -0.452 1.00 0.00 C ATOM 1020 C ILE A 66 -23.992 32.575 -1.790 1.00 0.00 C ATOM 1021 O ILE A 66 -23.485 31.445 -1.847 1.00 0.00 O ATOM 1022 CB ILE A 66 -22.694 33.667 0.146 1.00 0.00 C ATOM 1023 CG1 ILE A 66 -21.855 34.518 -0.880 1.00 0.00 C ATOM 1024 CG2 ILE A 66 -21.933 32.386 0.580 1.00 0.00 C ATOM 1025 CD1 ILE A 66 -20.481 34.963 -0.404 1.00 0.00 C ATOM 0 H ILE A 66 -24.518 32.247 1.321 1.00 0.00 H new ATOM 0 HA ILE A 66 -24.600 34.293 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 66 -22.841 34.266 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -21.731 33.934 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.431 35.404 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -20.959 32.661 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -22.509 31.862 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -21.796 31.734 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.993 35.541 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.587 35.580 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.876 34.087 -0.169 1.00 0.00 H new ATOM 1037 N GLU A 67 -24.530 33.181 -2.854 1.00 0.00 N ATOM 1038 CA GLU A 67 -24.536 32.568 -4.184 1.00 0.00 C ATOM 1039 C GLU A 67 -23.132 32.644 -4.780 1.00 0.00 C ATOM 1040 O GLU A 67 -22.743 33.655 -5.363 1.00 0.00 O ATOM 1041 CB GLU A 67 -25.581 33.265 -5.090 1.00 0.00 C ATOM 1042 CG GLU A 67 -27.009 33.226 -4.512 1.00 0.00 C ATOM 1043 CD GLU A 67 -28.057 33.930 -5.397 1.00 0.00 C ATOM 1044 OE1 GLU A 67 -29.010 33.275 -5.865 1.00 0.00 O ATOM 1045 OE2 GLU A 67 -27.933 35.150 -5.624 1.00 0.00 O ATOM 0 H GLU A 67 -24.969 34.101 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 67 -24.820 31.519 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -25.286 34.303 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -25.579 32.787 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -27.306 32.187 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -27.005 33.693 -3.527 1.00 0.00 H new ATOM 1052 N ILE A 68 -22.367 31.560 -4.582 1.00 0.00 N ATOM 1053 CA ILE A 68 -20.990 31.445 -5.074 1.00 0.00 C ATOM 1054 C ILE A 68 -21.058 31.270 -6.601 1.00 0.00 C ATOM 1055 O ILE A 68 -21.227 30.152 -7.105 1.00 0.00 O ATOM 1056 CB ILE A 68 -20.227 30.233 -4.406 1.00 0.00 C ATOM 1057 CG1 ILE A 68 -20.410 30.230 -2.845 1.00 0.00 C ATOM 1058 CG2 ILE A 68 -18.724 30.262 -4.782 1.00 0.00 C ATOM 1059 CD1 ILE A 68 -19.827 29.009 -2.141 1.00 0.00 C ATOM 0 H ILE A 68 -22.689 30.736 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 68 -20.430 32.343 -4.812 1.00 0.00 H new ATOM 0 HB ILE A 68 -20.663 29.311 -4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -19.944 31.126 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -21.474 30.291 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -18.215 29.420 -4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -18.618 30.192 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -18.280 31.194 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -19.999 29.091 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -20.309 28.107 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.756 28.955 -2.334 1.00 0.00 H new ATOM 1071 N ASP A 69 -21.026 32.401 -7.317 1.00 0.00 N ATOM 1072 CA ASP A 69 -21.241 32.433 -8.764 1.00 0.00 C ATOM 1073 C ASP A 69 -19.943 32.027 -9.483 1.00 0.00 C ATOM 1074 O ASP A 69 -19.086 32.872 -9.758 1.00 0.00 O ATOM 1075 CB ASP A 69 -21.735 33.841 -9.206 1.00 0.00 C ATOM 1076 CG ASP A 69 -22.342 33.851 -10.628 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -23.540 34.166 -10.776 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -21.631 33.525 -11.601 1.00 0.00 O ATOM 0 H ASP A 69 -20.850 33.318 -6.907 1.00 0.00 H new ATOM 0 HA ASP A 69 -22.018 31.719 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -22.482 34.197 -8.496 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -20.900 34.541 -9.169 1.00 0.00 H new ATOM 1083 N PHE A 70 -19.816 30.718 -9.759 1.00 0.00 N ATOM 1084 CA PHE A 70 -18.607 30.106 -10.354 1.00 0.00 C ATOM 1085 C PHE A 70 -18.377 30.568 -11.806 1.00 0.00 C ATOM 1086 O PHE A 70 -17.253 30.486 -12.317 1.00 0.00 O ATOM 1087 CB PHE A 70 -18.724 28.568 -10.314 1.00 0.00 C ATOM 1088 CG PHE A 70 -18.864 27.973 -8.916 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -17.757 27.842 -8.080 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -20.100 27.548 -8.440 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -17.871 27.270 -6.831 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -20.216 26.981 -7.188 1.00 0.00 C ATOM 1093 CZ PHE A 70 -19.107 26.857 -6.375 1.00 0.00 C ATOM 0 H PHE A 70 -20.558 30.043 -9.574 1.00 0.00 H new ATOM 0 HA PHE A 70 -17.752 30.432 -9.762 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -19.586 28.268 -10.909 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -17.843 28.138 -10.790 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -16.793 28.195 -8.416 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -20.978 27.663 -9.058 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -16.996 27.145 -6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -21.178 26.633 -6.842 1.00 0.00 H new ATOM 0 HZ PHE A 70 -19.206 26.438 -5.385 1.00 0.00 H new ATOM 1103 N GLU A 71 -19.459 31.034 -12.454 1.00 0.00 N ATOM 1104 CA GLU A 71 -19.432 31.546 -13.834 1.00 0.00 C ATOM 1105 C GLU A 71 -18.645 32.880 -13.860 1.00 0.00 C ATOM 1106 O GLU A 71 -17.841 33.113 -14.767 1.00 0.00 O ATOM 1107 CB GLU A 71 -20.905 31.709 -14.347 1.00 0.00 C ATOM 1108 CG GLU A 71 -21.126 31.766 -15.890 1.00 0.00 C ATOM 1109 CD GLU A 71 -20.630 33.050 -16.569 1.00 0.00 C ATOM 1110 OE1 GLU A 71 -19.650 33.000 -17.339 1.00 0.00 O ATOM 1111 OE2 GLU A 71 -21.217 34.127 -16.319 1.00 0.00 O ATOM 0 H GLU A 71 -20.386 31.066 -12.029 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.925 30.850 -14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -21.492 30.880 -13.953 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -21.313 32.622 -13.914 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -20.622 30.914 -16.346 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.191 31.653 -16.094 1.00 0.00 H new ATOM 1118 N THR A 72 -18.876 33.731 -12.840 1.00 0.00 N ATOM 1119 CA THR A 72 -18.170 35.018 -12.690 1.00 0.00 C ATOM 1120 C THR A 72 -16.821 34.842 -11.962 1.00 0.00 C ATOM 1121 O THR A 72 -15.955 35.720 -12.061 1.00 0.00 O ATOM 1122 CB THR A 72 -19.039 36.081 -11.942 1.00 0.00 C ATOM 1123 OG1 THR A 72 -19.383 35.597 -10.643 1.00 0.00 O ATOM 1124 CG2 THR A 72 -20.326 36.420 -12.712 1.00 0.00 C ATOM 0 H THR A 72 -19.554 33.546 -12.101 1.00 0.00 H new ATOM 0 HA THR A 72 -17.980 35.382 -13.699 1.00 0.00 H new ATOM 0 HB THR A 72 -18.444 36.991 -11.863 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.102 34.662 -10.557 1.00 0.00 H new ATOM 0 HG21 THR A 72 -20.898 37.162 -12.155 1.00 0.00 H new ATOM 0 HG22 THR A 72 -20.069 36.821 -13.692 1.00 0.00 H new ATOM 0 HG23 THR A 72 -20.925 35.518 -12.835 1.00 0.00 H new ATOM 1132 N LEU A 73 -16.651 33.716 -11.222 1.00 0.00 N ATOM 1133 CA LEU A 73 -15.345 33.358 -10.625 1.00 0.00 C ATOM 1134 C LEU A 73 -14.347 33.025 -11.743 1.00 0.00 C ATOM 1135 O LEU A 73 -14.711 32.375 -12.734 1.00 0.00 O ATOM 1136 CB LEU A 73 -15.436 32.142 -9.648 1.00 0.00 C ATOM 1137 CG LEU A 73 -16.268 32.322 -8.336 1.00 0.00 C ATOM 1138 CD1 LEU A 73 -16.155 31.078 -7.424 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -15.877 33.603 -7.577 1.00 0.00 C ATOM 0 H LEU A 73 -17.397 33.048 -11.028 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.013 34.220 -10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.857 31.301 -10.199 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.421 31.863 -9.365 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.312 32.428 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.744 31.234 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.530 30.203 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -15.111 30.919 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.479 33.688 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.822 33.558 -7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.053 34.471 -8.213 1.00 0.00 H new ATOM 1151 N LYS A 74 -13.101 33.478 -11.575 1.00 0.00 N ATOM 1152 CA LYS A 74 -12.006 33.173 -12.512 1.00 0.00 C ATOM 1153 C LYS A 74 -11.569 31.705 -12.340 1.00 0.00 C ATOM 1154 O LYS A 74 -11.693 31.174 -11.237 1.00 0.00 O ATOM 1155 CB LYS A 74 -10.816 34.131 -12.251 1.00 0.00 C ATOM 1156 CG LYS A 74 -11.190 35.624 -12.363 1.00 0.00 C ATOM 1157 CD LYS A 74 -9.971 36.562 -12.228 1.00 0.00 C ATOM 1158 CE LYS A 74 -10.358 38.043 -12.366 1.00 0.00 C ATOM 1159 NZ LYS A 74 -9.176 38.941 -12.274 1.00 0.00 N ATOM 0 H LYS A 74 -12.820 34.065 -10.790 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.350 33.315 -13.536 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.417 33.939 -11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.020 33.910 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.673 35.801 -13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.918 35.870 -11.590 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.497 36.401 -11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.234 36.309 -12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.858 38.199 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.073 38.305 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.483 39.930 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.713 38.812 -11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.504 38.710 -13.034 1.00 0.00 H new ATOM 1173 N PRO A 75 -11.070 31.015 -13.421 1.00 0.00 N ATOM 1174 CA PRO A 75 -10.499 29.634 -13.314 1.00 0.00 C ATOM 1175 C PRO A 75 -9.423 29.504 -12.203 1.00 0.00 C ATOM 1176 O PRO A 75 -9.192 28.416 -11.668 1.00 0.00 O ATOM 1177 CB PRO A 75 -9.893 29.396 -14.718 1.00 0.00 C ATOM 1178 CG PRO A 75 -10.720 30.252 -15.635 1.00 0.00 C ATOM 1179 CD PRO A 75 -11.057 31.493 -14.835 1.00 0.00 C ATOM 0 HA PRO A 75 -11.254 28.900 -13.032 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.841 29.681 -14.750 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.947 28.345 -15.001 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.167 30.506 -16.539 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.624 29.730 -15.950 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.316 32.278 -14.985 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -12.023 31.906 -15.126 1.00 0.00 H new ATOM 1187 N SER A 76 -8.779 30.644 -11.900 1.00 0.00 N ATOM 1188 CA SER A 76 -7.864 30.807 -10.768 1.00 0.00 C ATOM 1189 C SER A 76 -8.596 30.553 -9.430 1.00 0.00 C ATOM 1190 O SER A 76 -8.151 29.739 -8.609 1.00 0.00 O ATOM 1191 CB SER A 76 -7.291 32.244 -10.799 1.00 0.00 C ATOM 1192 OG SER A 76 -6.778 32.567 -12.086 1.00 0.00 O ATOM 0 H SER A 76 -8.886 31.495 -12.451 1.00 0.00 H new ATOM 0 HA SER A 76 -7.055 30.081 -10.849 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.071 32.955 -10.527 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.500 32.339 -10.055 1.00 0.00 H new ATOM 0 HG SER A 76 -6.424 33.481 -12.077 1.00 0.00 H new ATOM 1198 N THR A 77 -9.734 31.251 -9.256 1.00 0.00 N ATOM 1199 CA THR A 77 -10.563 31.175 -8.043 1.00 0.00 C ATOM 1200 C THR A 77 -11.215 29.782 -7.901 1.00 0.00 C ATOM 1201 O THR A 77 -11.438 29.322 -6.785 1.00 0.00 O ATOM 1202 CB THR A 77 -11.664 32.294 -8.060 1.00 0.00 C ATOM 1203 OG1 THR A 77 -11.060 33.551 -8.420 1.00 0.00 O ATOM 1204 CG2 THR A 77 -12.375 32.448 -6.694 1.00 0.00 C ATOM 0 H THR A 77 -10.105 31.888 -9.961 1.00 0.00 H new ATOM 0 HA THR A 77 -9.914 31.334 -7.182 1.00 0.00 H new ATOM 0 HB THR A 77 -12.416 31.999 -8.792 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.745 34.251 -8.433 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.126 33.235 -6.762 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.857 31.508 -6.427 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.643 32.710 -5.930 1.00 0.00 H new ATOM 1212 N LEU A 78 -11.522 29.133 -9.053 1.00 0.00 N ATOM 1213 CA LEU A 78 -12.019 27.740 -9.089 1.00 0.00 C ATOM 1214 C LEU A 78 -10.970 26.791 -8.473 1.00 0.00 C ATOM 1215 O LEU A 78 -11.222 26.173 -7.442 1.00 0.00 O ATOM 1216 CB LEU A 78 -12.391 27.278 -10.550 1.00 0.00 C ATOM 1217 CG LEU A 78 -13.843 27.595 -11.052 1.00 0.00 C ATOM 1218 CD1 LEU A 78 -14.900 27.005 -10.098 1.00 0.00 C ATOM 1219 CD2 LEU A 78 -14.071 29.100 -11.267 1.00 0.00 C ATOM 0 H LEU A 78 -11.432 29.560 -9.975 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.934 27.701 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.686 27.740 -11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.239 26.200 -10.613 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.954 27.115 -12.024 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.897 27.240 -10.470 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.778 25.923 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.773 27.434 -9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.090 29.268 -11.614 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.916 29.629 -10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.368 29.472 -12.013 1.00 0.00 H new ATOM 1231 N ARG A 79 -9.774 26.754 -9.093 1.00 0.00 N ATOM 1232 CA ARG A 79 -8.674 25.836 -8.716 1.00 0.00 C ATOM 1233 C ARG A 79 -8.263 26.017 -7.234 1.00 0.00 C ATOM 1234 O ARG A 79 -7.924 25.045 -6.550 1.00 0.00 O ATOM 1235 CB ARG A 79 -7.453 26.077 -9.654 1.00 0.00 C ATOM 1236 CG ARG A 79 -6.268 25.101 -9.446 1.00 0.00 C ATOM 1237 CD ARG A 79 -5.060 25.408 -10.356 1.00 0.00 C ATOM 1238 NE ARG A 79 -5.389 25.314 -11.799 1.00 0.00 N ATOM 1239 CZ ARG A 79 -4.494 25.428 -12.805 1.00 0.00 C ATOM 1240 NH1 ARG A 79 -3.210 25.658 -12.551 1.00 0.00 N ATOM 1241 NH2 ARG A 79 -4.894 25.328 -14.068 1.00 0.00 N ATOM 0 H ARG A 79 -9.540 27.364 -9.876 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.026 24.811 -8.832 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.788 26.003 -10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.096 27.096 -9.506 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.950 25.143 -8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.607 24.082 -9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.691 26.410 -10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.252 24.713 -10.126 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.364 25.151 -12.051 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.889 25.751 -11.587 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.545 25.742 -13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.878 25.165 -14.280 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.217 25.414 -14.826 1.00 0.00 H new ATOM 1255 N GLU A 80 -8.344 27.277 -6.759 1.00 0.00 N ATOM 1256 CA GLU A 80 -7.917 27.668 -5.401 1.00 0.00 C ATOM 1257 C GLU A 80 -8.975 27.301 -4.341 1.00 0.00 C ATOM 1258 O GLU A 80 -8.631 26.759 -3.284 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.589 29.180 -5.355 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.052 29.683 -3.994 1.00 0.00 C ATOM 1261 CD GLU A 80 -6.499 31.111 -4.063 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -7.257 32.072 -3.852 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -5.297 31.276 -4.371 1.00 0.00 O ATOM 0 H GLU A 80 -8.709 28.054 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.014 27.107 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.851 29.402 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.489 29.741 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.853 29.644 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.267 29.011 -3.648 1.00 0.00 H new ATOM 1270 N LEU A 81 -10.255 27.607 -4.624 1.00 0.00 N ATOM 1271 CA LEU A 81 -11.366 27.337 -3.681 1.00 0.00 C ATOM 1272 C LEU A 81 -11.549 25.823 -3.483 1.00 0.00 C ATOM 1273 O LEU A 81 -11.733 25.348 -2.357 1.00 0.00 O ATOM 1274 CB LEU A 81 -12.691 27.982 -4.178 1.00 0.00 C ATOM 1275 CG LEU A 81 -13.952 27.785 -3.266 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -13.728 28.358 -1.840 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -15.222 28.393 -3.922 1.00 0.00 C ATOM 0 H LEU A 81 -10.550 28.042 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.109 27.787 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.524 29.052 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.918 27.578 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.110 26.712 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.624 28.202 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.885 27.850 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.517 29.425 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.079 28.240 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.073 29.461 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -15.406 27.905 -4.879 1.00 0.00 H new ATOM 1289 N GLU A 82 -11.459 25.079 -4.593 1.00 0.00 N ATOM 1290 CA GLU A 82 -11.704 23.628 -4.616 1.00 0.00 C ATOM 1291 C GLU A 82 -10.618 22.844 -3.873 1.00 0.00 C ATOM 1292 O GLU A 82 -10.935 21.852 -3.228 1.00 0.00 O ATOM 1293 CB GLU A 82 -11.837 23.135 -6.070 1.00 0.00 C ATOM 1294 CG GLU A 82 -13.061 23.725 -6.793 1.00 0.00 C ATOM 1295 CD GLU A 82 -13.158 23.316 -8.266 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -13.191 24.198 -9.146 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -13.225 22.098 -8.551 1.00 0.00 O ATOM 0 H GLU A 82 -11.214 25.466 -5.504 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.641 23.445 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.934 23.398 -6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.908 22.047 -6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.966 23.407 -6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.022 24.812 -6.728 1.00 0.00 H new ATOM 1304 N ARG A 83 -9.345 23.294 -3.965 1.00 0.00 N ATOM 1305 CA ARG A 83 -8.222 22.645 -3.239 1.00 0.00 C ATOM 1306 C ARG A 83 -8.274 22.988 -1.736 1.00 0.00 C ATOM 1307 O ARG A 83 -7.795 22.210 -0.910 1.00 0.00 O ATOM 1308 CB ARG A 83 -6.830 23.009 -3.835 1.00 0.00 C ATOM 1309 CG ARG A 83 -6.456 24.501 -3.734 1.00 0.00 C ATOM 1310 CD ARG A 83 -5.002 24.794 -4.126 1.00 0.00 C ATOM 1311 NE ARG A 83 -4.664 24.295 -5.473 1.00 0.00 N ATOM 1312 CZ ARG A 83 -3.520 24.560 -6.127 1.00 0.00 C ATOM 1313 NH1 ARG A 83 -2.631 25.404 -5.620 1.00 0.00 N ATOM 1314 NH2 ARG A 83 -3.272 23.985 -7.297 1.00 0.00 N ATOM 0 H ARG A 83 -9.068 24.097 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.348 21.569 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.067 22.422 -3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.811 22.714 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.121 25.079 -4.376 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.624 24.842 -2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.829 25.870 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.334 24.337 -3.396 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.350 23.705 -5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.812 25.859 -4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.766 25.598 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.950 23.340 -7.702 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.403 24.188 -7.791 1.00 0.00 H new ATOM 1328 N TYR A 84 -8.867 24.156 -1.401 1.00 0.00 N ATOM 1329 CA TYR A 84 -9.078 24.579 -0.001 1.00 0.00 C ATOM 1330 C TYR A 84 -10.102 23.646 0.682 1.00 0.00 C ATOM 1331 O TYR A 84 -9.851 23.111 1.771 1.00 0.00 O ATOM 1332 CB TYR A 84 -9.552 26.063 0.063 1.00 0.00 C ATOM 1333 CG TYR A 84 -9.735 26.612 1.493 1.00 0.00 C ATOM 1334 CD1 TYR A 84 -8.656 27.144 2.208 1.00 0.00 C ATOM 1335 CD2 TYR A 84 -10.983 26.580 2.137 1.00 0.00 C ATOM 1336 CE1 TYR A 84 -8.815 27.621 3.497 1.00 0.00 C ATOM 1337 CE2 TYR A 84 -11.137 27.059 3.422 1.00 0.00 C ATOM 1338 CZ TYR A 84 -10.056 27.574 4.099 1.00 0.00 C ATOM 1339 OH TYR A 84 -10.219 28.041 5.388 1.00 0.00 O ATOM 0 H TYR A 84 -9.210 24.826 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.130 24.508 0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.828 26.686 -0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -10.498 26.153 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.681 27.183 1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.838 26.173 1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.970 28.029 4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.107 27.030 3.896 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.174 28.157 5.575 1.00 0.00 H new ATOM 1349 N VAL A 85 -11.247 23.457 0.006 1.00 0.00 N ATOM 1350 CA VAL A 85 -12.325 22.562 0.463 1.00 0.00 C ATOM 1351 C VAL A 85 -11.847 21.093 0.429 1.00 0.00 C ATOM 1352 O VAL A 85 -12.208 20.313 1.297 1.00 0.00 O ATOM 1353 CB VAL A 85 -13.630 22.757 -0.408 1.00 0.00 C ATOM 1354 CG1 VAL A 85 -14.773 21.805 0.036 1.00 0.00 C ATOM 1355 CG2 VAL A 85 -14.097 24.237 -0.367 1.00 0.00 C ATOM 0 H VAL A 85 -11.453 23.923 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.576 22.819 1.492 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.378 22.499 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.650 21.973 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.446 20.770 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -15.027 22.002 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -14.996 24.352 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -14.314 24.522 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.309 24.878 -0.763 1.00 0.00 H new ATOM 1365 N LEU A 86 -10.989 20.760 -0.559 1.00 0.00 N ATOM 1366 CA LEU A 86 -10.379 19.416 -0.702 1.00 0.00 C ATOM 1367 C LEU A 86 -9.503 19.073 0.524 1.00 0.00 C ATOM 1368 O LEU A 86 -9.441 17.918 0.939 1.00 0.00 O ATOM 1369 CB LEU A 86 -9.518 19.343 -1.990 1.00 0.00 C ATOM 1370 CG LEU A 86 -8.918 17.946 -2.352 1.00 0.00 C ATOM 1371 CD1 LEU A 86 -10.028 16.937 -2.731 1.00 0.00 C ATOM 1372 CD2 LEU A 86 -7.856 18.067 -3.471 1.00 0.00 C ATOM 0 H LEU A 86 -10.698 21.416 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.189 18.690 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.129 19.679 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.696 20.052 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.417 17.560 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.577 15.976 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.710 16.813 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.580 17.310 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.456 17.079 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.315 18.490 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.047 18.717 -3.136 1.00 0.00 H new ATOM 1384 N SER A 87 -8.835 20.101 1.085 1.00 0.00 N ATOM 1385 CA SER A 87 -8.015 19.962 2.306 1.00 0.00 C ATOM 1386 C SER A 87 -8.901 19.693 3.541 1.00 0.00 C ATOM 1387 O SER A 87 -8.484 18.985 4.461 1.00 0.00 O ATOM 1388 CB SER A 87 -7.155 21.227 2.512 1.00 0.00 C ATOM 1389 OG SER A 87 -6.320 21.458 1.390 1.00 0.00 O ATOM 0 H SER A 87 -8.848 21.048 0.706 1.00 0.00 H new ATOM 0 HA SER A 87 -7.352 19.105 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.802 22.089 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.545 21.115 3.408 1.00 0.00 H new ATOM 0 HG SER A 87 -6.870 21.713 0.620 1.00 0.00 H new ATOM 1395 N CYS A 88 -10.129 20.251 3.529 1.00 0.00 N ATOM 1396 CA CYS A 88 -11.129 20.034 4.598 1.00 0.00 C ATOM 1397 C CYS A 88 -11.754 18.623 4.473 1.00 0.00 C ATOM 1398 O CYS A 88 -12.062 17.969 5.478 1.00 0.00 O ATOM 1399 CB CYS A 88 -12.221 21.128 4.525 1.00 0.00 C ATOM 1400 SG CYS A 88 -11.571 22.813 4.590 1.00 0.00 S ATOM 0 H CYS A 88 -10.456 20.863 2.781 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.635 20.100 5.567 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.787 21.002 3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.920 20.986 5.349 1.00 0.00 H new ATOM 0 HG CYS A 88 -10.885 23.055 3.513 1.00 0.00 H new ATOM 1406 N LEU A 89 -11.920 18.164 3.216 1.00 0.00 N ATOM 1407 CA LEU A 89 -12.456 16.822 2.898 1.00 0.00 C ATOM 1408 C LEU A 89 -11.363 15.739 3.061 1.00 0.00 C ATOM 1409 O LEU A 89 -11.688 14.553 3.194 1.00 0.00 O ATOM 1410 CB LEU A 89 -13.003 16.798 1.444 1.00 0.00 C ATOM 1411 CG LEU A 89 -14.167 17.797 1.139 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -14.496 17.833 -0.371 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -15.425 17.486 1.992 1.00 0.00 C ATOM 0 H LEU A 89 -11.686 18.714 2.390 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.266 16.605 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.179 17.010 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.348 15.788 1.222 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.826 18.793 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -15.309 18.537 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.614 18.149 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.797 16.839 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -16.213 18.201 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -15.772 16.476 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.175 17.562 3.050 1.00 0.00 H new ATOM 1425 N ARG A 90 -10.084 16.191 3.021 1.00 0.00 N ATOM 1426 CA ARG A 90 -8.860 15.367 3.147 1.00 0.00 C ATOM 1427 C ARG A 90 -8.664 14.448 1.922 1.00 0.00 C ATOM 1428 O ARG A 90 -7.741 14.670 1.126 1.00 0.00 O ATOM 1429 CB ARG A 90 -8.833 14.559 4.477 1.00 0.00 C ATOM 1430 CG ARG A 90 -7.525 13.761 4.719 1.00 0.00 C ATOM 1431 CD ARG A 90 -7.515 13.065 6.092 1.00 0.00 C ATOM 1432 NE ARG A 90 -7.644 14.040 7.197 1.00 0.00 N ATOM 1433 CZ ARG A 90 -8.367 13.863 8.313 1.00 0.00 C ATOM 1434 NH1 ARG A 90 -9.101 12.771 8.491 1.00 0.00 N ATOM 1435 NH2 ARG A 90 -8.371 14.796 9.250 1.00 0.00 N ATOM 0 H ARG A 90 -9.871 17.181 2.895 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.017 16.057 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.983 15.248 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.673 13.865 4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.406 13.014 3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.672 14.435 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.333 12.347 6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.589 12.502 6.209 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.140 14.922 7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.122 12.048 7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.644 12.655 9.347 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.825 15.648 9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.920 14.663 10.099 1.00 0.00 H new ATOM 1724 N THR A 106 18.683 10.380 -12.595 1.00 0.00 N ATOM 1725 CA THR A 106 19.795 10.185 -11.641 1.00 0.00 C ATOM 1726 C THR A 106 20.643 11.462 -11.539 1.00 0.00 C ATOM 1727 O THR A 106 20.634 12.281 -12.462 1.00 0.00 O ATOM 1728 CB THR A 106 20.689 8.993 -12.098 1.00 0.00 C ATOM 1729 OG1 THR A 106 21.242 9.255 -13.401 1.00 0.00 O ATOM 1730 CG2 THR A 106 19.902 7.672 -12.135 1.00 0.00 C ATOM 0 HA THR A 106 19.375 9.962 -10.660 1.00 0.00 H new ATOM 0 HB THR A 106 21.493 8.892 -11.369 1.00 0.00 H new ATOM 0 HG1 THR A 106 21.803 8.500 -13.676 1.00 0.00 H new ATOM 0 HG21 THR A 106 20.560 6.865 -12.458 1.00 0.00 H new ATOM 0 HG22 THR A 106 19.517 7.450 -11.140 1.00 0.00 H new ATOM 0 HG23 THR A 106 19.070 7.764 -12.833 1.00 0.00 H new ATOM 1738 N LYS A 107 21.384 11.627 -10.419 1.00 0.00 N ATOM 1739 CA LYS A 107 22.269 12.797 -10.221 1.00 0.00 C ATOM 1740 C LYS A 107 23.472 12.742 -11.189 1.00 0.00 C ATOM 1741 O LYS A 107 24.037 13.777 -11.546 1.00 0.00 O ATOM 1742 CB LYS A 107 22.699 12.929 -8.715 1.00 0.00 C ATOM 1743 CG LYS A 107 23.507 11.744 -8.101 1.00 0.00 C ATOM 1744 CD LYS A 107 25.018 11.777 -8.437 1.00 0.00 C ATOM 1745 CE LYS A 107 25.794 10.567 -7.891 1.00 0.00 C ATOM 1746 NZ LYS A 107 27.236 10.633 -8.259 1.00 0.00 N ATOM 0 H LYS A 107 21.386 10.967 -9.641 1.00 0.00 H new ATOM 0 HA LYS A 107 21.714 13.703 -10.463 1.00 0.00 H new ATOM 0 HB2 LYS A 107 23.296 13.835 -8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 107 21.799 13.070 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 107 23.385 11.756 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 107 23.085 10.805 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 107 25.141 11.819 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 107 25.453 12.691 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 107 25.695 10.529 -6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 107 25.359 9.647 -8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 27.731 9.802 -7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 27.330 10.644 -9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 27.656 11.499 -7.864 1.00 0.00 H new ATOM 1760 N GLU A 108 23.846 11.509 -11.602 1.00 0.00 N ATOM 1761 CA GLU A 108 24.889 11.273 -12.623 1.00 0.00 C ATOM 1762 C GLU A 108 24.446 11.821 -13.989 1.00 0.00 C ATOM 1763 O GLU A 108 25.269 12.336 -14.734 1.00 0.00 O ATOM 1764 CB GLU A 108 25.230 9.758 -12.715 1.00 0.00 C ATOM 1765 CG GLU A 108 25.920 9.196 -11.453 1.00 0.00 C ATOM 1766 CD GLU A 108 26.091 7.668 -11.477 1.00 0.00 C ATOM 1767 OE1 GLU A 108 25.102 6.950 -11.216 1.00 0.00 O ATOM 1768 OE2 GLU A 108 27.211 7.178 -11.738 1.00 0.00 O ATOM 0 H GLU A 108 23.433 10.651 -11.236 1.00 0.00 H new ATOM 0 HA GLU A 108 25.791 11.806 -12.323 1.00 0.00 H new ATOM 0 HB2 GLU A 108 24.312 9.199 -12.895 1.00 0.00 H new ATOM 0 HB3 GLU A 108 25.878 9.593 -13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 108 26.900 9.662 -11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 108 25.337 9.475 -10.575 1.00 0.00 H new ATOM 1775 N GLU A 109 23.134 11.703 -14.284 1.00 0.00 N ATOM 1776 CA GLU A 109 22.505 12.289 -15.492 1.00 0.00 C ATOM 1777 C GLU A 109 22.472 13.835 -15.383 1.00 0.00 C ATOM 1778 O GLU A 109 22.781 14.544 -16.349 1.00 0.00 O ATOM 1779 CB GLU A 109 21.072 11.718 -15.650 1.00 0.00 C ATOM 1780 CG GLU A 109 20.223 12.342 -16.779 1.00 0.00 C ATOM 1781 CD GLU A 109 18.754 11.895 -16.720 1.00 0.00 C ATOM 1782 OE1 GLU A 109 18.310 11.095 -17.576 1.00 0.00 O ATOM 1783 OE2 GLU A 109 18.048 12.316 -15.778 1.00 0.00 O ATOM 0 H GLU A 109 22.477 11.197 -13.690 1.00 0.00 H new ATOM 0 HA GLU A 109 23.091 12.026 -16.373 1.00 0.00 H new ATOM 0 HB2 GLU A 109 21.146 10.645 -15.827 1.00 0.00 H new ATOM 0 HB3 GLU A 109 20.542 11.850 -14.707 1.00 0.00 H new ATOM 0 HG2 GLU A 109 20.273 13.429 -16.710 1.00 0.00 H new ATOM 0 HG3 GLU A 109 20.646 12.065 -17.744 1.00 0.00 H new ATOM 1790 N LEU A 110 22.116 14.327 -14.178 1.00 0.00 N ATOM 1791 CA LEU A 110 22.021 15.775 -13.879 1.00 0.00 C ATOM 1792 C LEU A 110 23.408 16.459 -13.906 1.00 0.00 C ATOM 1793 O LEU A 110 23.497 17.678 -14.041 1.00 0.00 O ATOM 1794 CB LEU A 110 21.342 15.998 -12.498 1.00 0.00 C ATOM 1795 CG LEU A 110 19.889 15.437 -12.341 1.00 0.00 C ATOM 1796 CD1 LEU A 110 19.371 15.622 -10.893 1.00 0.00 C ATOM 1797 CD2 LEU A 110 18.916 16.071 -13.372 1.00 0.00 C ATOM 0 H LEU A 110 21.886 13.732 -13.382 1.00 0.00 H new ATOM 0 HA LEU A 110 21.410 16.231 -14.658 1.00 0.00 H new ATOM 0 HB2 LEU A 110 21.969 15.543 -11.731 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.319 17.069 -12.297 1.00 0.00 H new ATOM 0 HG LEU A 110 19.929 14.367 -12.547 1.00 0.00 H new ATOM 0 HD11 LEU A 110 18.360 15.223 -10.815 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.025 15.091 -10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 110 19.363 16.683 -10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 110 17.917 15.657 -13.232 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.885 17.151 -13.227 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.262 15.851 -14.382 1.00 0.00 H new ATOM 1809 N ALA A 111 24.471 15.662 -13.686 1.00 0.00 N ATOM 1810 CA ALA A 111 25.874 16.106 -13.824 1.00 0.00 C ATOM 1811 C ALA A 111 26.365 15.950 -15.282 1.00 0.00 C ATOM 1812 O ALA A 111 27.129 16.784 -15.786 1.00 0.00 O ATOM 1813 CB ALA A 111 26.768 15.312 -12.857 1.00 0.00 C ATOM 0 H ALA A 111 24.381 14.685 -13.406 1.00 0.00 H new ATOM 0 HA ALA A 111 25.932 17.164 -13.569 1.00 0.00 H new ATOM 0 HB1 ALA A 111 27.801 15.643 -12.962 1.00 0.00 H new ATOM 0 HB2 ALA A 111 26.436 15.481 -11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 111 26.702 14.249 -13.090 1.00 0.00 H new ATOM 1819 N LEU A 112 25.892 14.869 -15.936 1.00 0.00 N ATOM 1820 CA LEU A 112 26.295 14.480 -17.309 1.00 0.00 C ATOM 1821 C LEU A 112 25.924 15.555 -18.339 1.00 0.00 C ATOM 1822 O LEU A 112 26.637 15.739 -19.337 1.00 0.00 O ATOM 1823 CB LEU A 112 25.622 13.130 -17.685 1.00 0.00 C ATOM 1824 CG LEU A 112 25.876 12.570 -19.124 1.00 0.00 C ATOM 1825 CD1 LEU A 112 27.383 12.331 -19.399 1.00 0.00 C ATOM 1826 CD2 LEU A 112 25.051 11.280 -19.345 1.00 0.00 C ATOM 0 H LEU A 112 25.211 14.232 -15.523 1.00 0.00 H new ATOM 0 HA LEU A 112 27.380 14.372 -17.324 1.00 0.00 H new ATOM 0 HB2 LEU A 112 25.954 12.378 -16.969 1.00 0.00 H new ATOM 0 HB3 LEU A 112 24.546 13.243 -17.554 1.00 0.00 H new ATOM 0 HG LEU A 112 25.546 13.323 -19.840 1.00 0.00 H new ATOM 0 HD11 LEU A 112 27.511 11.942 -20.409 1.00 0.00 H new ATOM 0 HD12 LEU A 112 27.924 13.272 -19.301 1.00 0.00 H new ATOM 0 HD13 LEU A 112 27.774 11.610 -18.681 1.00 0.00 H new ATOM 0 HD21 LEU A 112 25.235 10.898 -20.349 1.00 0.00 H new ATOM 0 HD22 LEU A 112 25.346 10.529 -18.612 1.00 0.00 H new ATOM 0 HD23 LEU A 112 23.990 11.502 -19.230 1.00 0.00 H new ATOM 1838 N GLU A 113 24.796 16.251 -18.096 1.00 0.00 N ATOM 1839 CA GLU A 113 24.316 17.312 -18.989 1.00 0.00 C ATOM 1840 C GLU A 113 25.360 18.445 -19.130 1.00 0.00 C ATOM 1841 O GLU A 113 25.513 18.979 -20.212 1.00 0.00 O ATOM 1842 CB GLU A 113 22.901 17.817 -18.555 1.00 0.00 C ATOM 1843 CG GLU A 113 22.735 18.290 -17.096 1.00 0.00 C ATOM 1844 CD GLU A 113 23.347 19.672 -16.789 1.00 0.00 C ATOM 1845 OE1 GLU A 113 22.888 20.677 -17.367 1.00 0.00 O ATOM 1846 OE2 GLU A 113 24.263 19.766 -15.951 1.00 0.00 O ATOM 0 H GLU A 113 24.201 16.092 -17.283 1.00 0.00 H new ATOM 0 HA GLU A 113 24.194 16.894 -19.988 1.00 0.00 H new ATOM 0 HB2 GLU A 113 22.621 18.642 -19.211 1.00 0.00 H new ATOM 0 HB3 GLU A 113 22.187 17.013 -18.732 1.00 0.00 H new ATOM 0 HG2 GLU A 113 21.672 18.318 -16.857 1.00 0.00 H new ATOM 0 HG3 GLU A 113 23.191 17.552 -16.436 1.00 0.00 H new ATOM 1853 N LYS A 114 26.102 18.761 -18.040 1.00 0.00 N ATOM 1854 CA LYS A 114 27.197 19.764 -18.069 1.00 0.00 C ATOM 1855 C LYS A 114 28.424 19.220 -18.815 1.00 0.00 C ATOM 1856 O LYS A 114 29.075 19.957 -19.562 1.00 0.00 O ATOM 1857 CB LYS A 114 27.602 20.201 -16.631 1.00 0.00 C ATOM 1858 CG LYS A 114 28.886 21.072 -16.573 1.00 0.00 C ATOM 1859 CD LYS A 114 29.204 21.636 -15.172 1.00 0.00 C ATOM 1860 CE LYS A 114 28.229 22.742 -14.735 1.00 0.00 C ATOM 1861 NZ LYS A 114 28.664 23.404 -13.473 1.00 0.00 N ATOM 0 H LYS A 114 25.961 18.333 -17.125 1.00 0.00 H new ATOM 0 HA LYS A 114 26.822 20.637 -18.603 1.00 0.00 H new ATOM 0 HB2 LYS A 114 26.777 20.758 -16.186 1.00 0.00 H new ATOM 0 HB3 LYS A 114 27.752 19.311 -16.020 1.00 0.00 H new ATOM 0 HG2 LYS A 114 29.732 20.475 -16.913 1.00 0.00 H new ATOM 0 HG3 LYS A 114 28.780 21.902 -17.271 1.00 0.00 H new ATOM 0 HD2 LYS A 114 29.175 20.825 -14.444 1.00 0.00 H new ATOM 0 HD3 LYS A 114 30.220 22.032 -15.167 1.00 0.00 H new ATOM 0 HE2 LYS A 114 28.148 23.487 -15.526 1.00 0.00 H new ATOM 0 HE3 LYS A 114 27.236 22.315 -14.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.979 24.143 -13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 28.716 22.698 -12.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 29.601 23.834 -13.612 1.00 0.00 H new ATOM 1875 N LYS A 115 28.735 17.932 -18.581 1.00 0.00 N ATOM 1876 CA LYS A 115 29.887 17.247 -19.208 1.00 0.00 C ATOM 1877 C LYS A 115 29.799 17.367 -20.744 1.00 0.00 C ATOM 1878 O LYS A 115 30.778 17.732 -21.407 1.00 0.00 O ATOM 1879 CB LYS A 115 29.936 15.754 -18.724 1.00 0.00 C ATOM 1880 CG LYS A 115 31.136 14.892 -19.230 1.00 0.00 C ATOM 1881 CD LYS A 115 30.924 14.286 -20.641 1.00 0.00 C ATOM 1882 CE LYS A 115 32.144 13.506 -21.155 1.00 0.00 C ATOM 1883 NZ LYS A 115 31.951 13.048 -22.555 1.00 0.00 N ATOM 0 H LYS A 115 28.197 17.335 -17.953 1.00 0.00 H new ATOM 0 HA LYS A 115 30.819 17.722 -18.903 1.00 0.00 H new ATOM 0 HB2 LYS A 115 29.950 15.750 -17.634 1.00 0.00 H new ATOM 0 HB3 LYS A 115 29.012 15.266 -19.033 1.00 0.00 H new ATOM 0 HG2 LYS A 115 32.034 15.509 -19.242 1.00 0.00 H new ATOM 0 HG3 LYS A 115 31.314 14.083 -18.521 1.00 0.00 H new ATOM 0 HD2 LYS A 115 30.060 13.622 -20.618 1.00 0.00 H new ATOM 0 HD3 LYS A 115 30.692 15.087 -21.342 1.00 0.00 H new ATOM 0 HE2 LYS A 115 33.031 14.137 -21.097 1.00 0.00 H new ATOM 0 HE3 LYS A 115 32.323 12.645 -20.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 32.825 12.600 -22.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 31.172 12.360 -22.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 31.721 13.863 -23.158 1.00 0.00 H new ATOM 1897 N ARG A 116 28.601 17.088 -21.283 1.00 0.00 N ATOM 1898 CA ARG A 116 28.345 17.161 -22.730 1.00 0.00 C ATOM 1899 C ARG A 116 28.233 18.631 -23.179 1.00 0.00 C ATOM 1900 O ARG A 116 28.805 19.005 -24.188 1.00 0.00 O ATOM 1901 CB ARG A 116 27.064 16.371 -23.104 1.00 0.00 C ATOM 1902 CG ARG A 116 27.068 14.896 -22.634 1.00 0.00 C ATOM 1903 CD ARG A 116 25.962 14.060 -23.299 1.00 0.00 C ATOM 1904 NE ARG A 116 26.205 13.888 -24.749 1.00 0.00 N ATOM 1905 CZ ARG A 116 25.268 13.901 -25.713 1.00 0.00 C ATOM 1906 NH1 ARG A 116 24.002 14.196 -25.435 1.00 0.00 N ATOM 1907 NH2 ARG A 116 25.610 13.645 -26.967 1.00 0.00 N ATOM 0 H ARG A 116 27.789 16.808 -20.733 1.00 0.00 H new ATOM 0 HA ARG A 116 29.185 16.703 -23.253 1.00 0.00 H new ATOM 0 HB2 ARG A 116 26.200 16.876 -22.672 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.939 16.395 -24.187 1.00 0.00 H new ATOM 0 HG2 ARG A 116 28.038 14.451 -22.856 1.00 0.00 H new ATOM 0 HG3 ARG A 116 26.942 14.863 -21.552 1.00 0.00 H new ATOM 0 HD2 ARG A 116 25.907 13.082 -22.820 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.998 14.544 -23.146 1.00 0.00 H new ATOM 0 HE ARG A 116 27.171 13.747 -25.044 1.00 0.00 H new ATOM 0 HH11 ARG A 116 23.728 14.417 -24.478 1.00 0.00 H new ATOM 0 HH12 ARG A 116 23.304 14.201 -26.179 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.582 13.439 -27.199 1.00 0.00 H new ATOM 0 HH22 ARG A 116 24.902 13.654 -27.701 1.00 0.00 H new ATOM 1921 N GLU A 117 27.519 19.449 -22.377 1.00 0.00 N ATOM 1922 CA GLU A 117 27.296 20.901 -22.637 1.00 0.00 C ATOM 1923 C GLU A 117 28.617 21.662 -22.843 1.00 0.00 C ATOM 1924 O GLU A 117 28.678 22.598 -23.636 1.00 0.00 O ATOM 1925 CB GLU A 117 26.522 21.519 -21.450 1.00 0.00 C ATOM 1926 CG GLU A 117 26.197 23.023 -21.550 1.00 0.00 C ATOM 1927 CD GLU A 117 25.626 23.568 -20.235 1.00 0.00 C ATOM 1928 OE1 GLU A 117 26.417 23.833 -19.305 1.00 0.00 O ATOM 1929 OE2 GLU A 117 24.391 23.704 -20.110 1.00 0.00 O ATOM 0 H GLU A 117 27.073 19.123 -21.519 1.00 0.00 H new ATOM 0 HA GLU A 117 26.718 20.991 -23.557 1.00 0.00 H new ATOM 0 HB2 GLU A 117 25.585 20.974 -21.333 1.00 0.00 H new ATOM 0 HB3 GLU A 117 27.102 21.355 -20.542 1.00 0.00 H new ATOM 0 HG2 GLU A 117 27.101 23.574 -21.811 1.00 0.00 H new ATOM 0 HG3 GLU A 117 25.480 23.188 -22.354 1.00 0.00 H new ATOM 1936 N LEU A 118 29.662 21.233 -22.117 1.00 0.00 N ATOM 1937 CA LEU A 118 31.008 21.829 -22.185 1.00 0.00 C ATOM 1938 C LEU A 118 31.645 21.591 -23.567 1.00 0.00 C ATOM 1939 O LEU A 118 32.322 22.468 -24.118 1.00 0.00 O ATOM 1940 CB LEU A 118 31.891 21.227 -21.065 1.00 0.00 C ATOM 1941 CG LEU A 118 33.350 21.774 -20.973 1.00 0.00 C ATOM 1942 CD1 LEU A 118 33.368 23.313 -20.768 1.00 0.00 C ATOM 1943 CD2 LEU A 118 34.150 21.045 -19.864 1.00 0.00 C ATOM 0 H LEU A 118 29.597 20.456 -21.460 1.00 0.00 H new ATOM 0 HA LEU A 118 30.928 22.906 -22.040 1.00 0.00 H new ATOM 0 HB2 LEU A 118 31.398 21.401 -20.108 1.00 0.00 H new ATOM 0 HB3 LEU A 118 31.938 20.147 -21.208 1.00 0.00 H new ATOM 0 HG LEU A 118 33.841 21.569 -21.924 1.00 0.00 H new ATOM 0 HD11 LEU A 118 34.400 23.660 -20.708 1.00 0.00 H new ATOM 0 HD12 LEU A 118 32.870 23.798 -21.608 1.00 0.00 H new ATOM 0 HD13 LEU A 118 32.847 23.563 -19.844 1.00 0.00 H new ATOM 0 HD21 LEU A 118 35.163 21.446 -19.822 1.00 0.00 H new ATOM 0 HD22 LEU A 118 33.660 21.197 -18.902 1.00 0.00 H new ATOM 0 HD23 LEU A 118 34.191 19.979 -20.086 1.00 0.00 H new ATOM 1955 N GLU A 119 31.414 20.388 -24.106 1.00 0.00 N ATOM 1956 CA GLU A 119 31.877 19.986 -25.448 1.00 0.00 C ATOM 1957 C GLU A 119 31.066 20.732 -26.529 1.00 0.00 C ATOM 1958 O GLU A 119 31.610 21.166 -27.552 1.00 0.00 O ATOM 1959 CB GLU A 119 31.733 18.450 -25.591 1.00 0.00 C ATOM 1960 CG GLU A 119 32.504 17.653 -24.507 1.00 0.00 C ATOM 1961 CD GLU A 119 32.287 16.133 -24.588 1.00 0.00 C ATOM 1962 OE1 GLU A 119 33.052 15.447 -25.300 1.00 0.00 O ATOM 1963 OE2 GLU A 119 31.344 15.617 -23.945 1.00 0.00 O ATOM 0 H GLU A 119 30.895 19.656 -23.621 1.00 0.00 H new ATOM 0 HA GLU A 119 32.926 20.251 -25.580 1.00 0.00 H new ATOM 0 HB2 GLU A 119 30.677 18.186 -25.542 1.00 0.00 H new ATOM 0 HB3 GLU A 119 32.092 18.149 -26.575 1.00 0.00 H new ATOM 0 HG2 GLU A 119 33.569 17.865 -24.601 1.00 0.00 H new ATOM 0 HG3 GLU A 119 32.195 18.003 -23.522 1.00 0.00 H new ATOM 1970 N LYS A 120 29.760 20.902 -26.250 1.00 0.00 N ATOM 1971 CA LYS A 120 28.807 21.636 -27.113 1.00 0.00 C ATOM 1972 C LYS A 120 29.088 23.155 -27.071 1.00 0.00 C ATOM 1973 O LYS A 120 28.696 23.883 -27.986 1.00 0.00 O ATOM 1974 CB LYS A 120 27.332 21.329 -26.676 1.00 0.00 C ATOM 1975 CG LYS A 120 26.710 20.022 -27.247 1.00 0.00 C ATOM 1976 CD LYS A 120 27.574 18.756 -27.033 1.00 0.00 C ATOM 1977 CE LYS A 120 26.891 17.468 -27.524 1.00 0.00 C ATOM 1978 NZ LYS A 120 26.485 17.565 -28.944 1.00 0.00 N ATOM 0 H LYS A 120 29.327 20.528 -25.405 1.00 0.00 H new ATOM 0 HA LYS A 120 28.940 21.299 -28.141 1.00 0.00 H new ATOM 0 HB2 LYS A 120 27.300 21.278 -25.588 1.00 0.00 H new ATOM 0 HB3 LYS A 120 26.703 22.168 -26.975 1.00 0.00 H new ATOM 0 HG2 LYS A 120 25.736 19.865 -26.783 1.00 0.00 H new ATOM 0 HG3 LYS A 120 26.537 20.153 -28.315 1.00 0.00 H new ATOM 0 HD2 LYS A 120 28.523 18.879 -27.555 1.00 0.00 H new ATOM 0 HD3 LYS A 120 27.805 18.656 -25.972 1.00 0.00 H new ATOM 0 HE2 LYS A 120 27.571 16.626 -27.398 1.00 0.00 H new ATOM 0 HE3 LYS A 120 26.014 17.265 -26.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 26.122 16.645 -29.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 25.741 18.285 -29.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 27.307 17.834 -29.522 1.00 0.00 H new ATOM 1992 N ARG A 121 29.745 23.612 -25.989 1.00 0.00 N ATOM 1993 CA ARG A 121 30.182 25.008 -25.840 1.00 0.00 C ATOM 1994 C ARG A 121 31.455 25.236 -26.671 1.00 0.00 C ATOM 1995 O ARG A 121 31.430 25.951 -27.668 1.00 0.00 O ATOM 1996 CB ARG A 121 30.457 25.363 -24.342 1.00 0.00 C ATOM 1997 CG ARG A 121 30.965 26.811 -24.110 1.00 0.00 C ATOM 1998 CD ARG A 121 31.595 27.036 -22.722 1.00 0.00 C ATOM 1999 NE ARG A 121 30.627 26.870 -21.621 1.00 0.00 N ATOM 2000 CZ ARG A 121 30.397 27.769 -20.646 1.00 0.00 C ATOM 2001 NH1 ARG A 121 31.001 28.954 -20.658 1.00 0.00 N ATOM 2002 NH2 ARG A 121 29.557 27.475 -19.665 1.00 0.00 N ATOM 0 H ARG A 121 29.987 23.021 -25.194 1.00 0.00 H new ATOM 0 HA ARG A 121 29.383 25.657 -26.197 1.00 0.00 H new ATOM 0 HB2 ARG A 121 29.539 25.217 -23.772 1.00 0.00 H new ATOM 0 HB3 ARG A 121 31.193 24.664 -23.945 1.00 0.00 H new ATOM 0 HG2 ARG A 121 31.701 27.055 -24.876 1.00 0.00 H new ATOM 0 HG3 ARG A 121 30.132 27.503 -24.237 1.00 0.00 H new ATOM 0 HD2 ARG A 121 32.419 26.336 -22.584 1.00 0.00 H new ATOM 0 HD3 ARG A 121 32.019 28.039 -22.679 1.00 0.00 H new ATOM 0 HE ARG A 121 30.089 26.004 -21.597 1.00 0.00 H new ATOM 0 HH11 ARG A 121 31.647 29.190 -21.412 1.00 0.00 H new ATOM 0 HH12 ARG A 121 30.819 29.627 -19.914 1.00 0.00 H new ATOM 0 HH21 ARG A 121 29.087 26.570 -19.650 1.00 0.00 H new ATOM 0 HH22 ARG A 121 29.380 28.154 -18.924 1.00 0.00 H new ATOM 2016 N LEU A 122 32.537 24.530 -26.273 1.00 0.00 N ATOM 2017 CA LEU A 122 33.930 24.806 -26.700 1.00 0.00 C ATOM 2018 C LEU A 122 34.114 24.712 -28.233 1.00 0.00 C ATOM 2019 O LEU A 122 34.957 25.400 -28.785 1.00 0.00 O ATOM 2020 CB LEU A 122 34.896 23.846 -25.919 1.00 0.00 C ATOM 2021 CG LEU A 122 36.449 24.160 -25.973 1.00 0.00 C ATOM 2022 CD1 LEU A 122 37.166 23.670 -24.689 1.00 0.00 C ATOM 2023 CD2 LEU A 122 37.131 23.541 -27.223 1.00 0.00 C ATOM 0 H LEU A 122 32.467 23.738 -25.634 1.00 0.00 H new ATOM 0 HA LEU A 122 34.177 25.838 -26.453 1.00 0.00 H new ATOM 0 HB2 LEU A 122 34.591 23.842 -24.873 1.00 0.00 H new ATOM 0 HB3 LEU A 122 34.745 22.836 -26.299 1.00 0.00 H new ATOM 0 HG LEU A 122 36.541 25.244 -26.041 1.00 0.00 H new ATOM 0 HD11 LEU A 122 38.229 23.900 -24.756 1.00 0.00 H new ATOM 0 HD12 LEU A 122 36.740 24.172 -23.820 1.00 0.00 H new ATOM 0 HD13 LEU A 122 37.033 22.593 -24.587 1.00 0.00 H new ATOM 0 HD21 LEU A 122 38.194 23.783 -27.215 1.00 0.00 H new ATOM 0 HD22 LEU A 122 37.006 22.458 -27.207 1.00 0.00 H new ATOM 0 HD23 LEU A 122 36.673 23.946 -28.125 1.00 0.00 H new ATOM 2035 N GLN A 123 33.274 23.900 -28.905 1.00 0.00 N ATOM 2036 CA GLN A 123 33.357 23.632 -30.369 1.00 0.00 C ATOM 2037 C GLN A 123 33.371 24.911 -31.252 1.00 0.00 C ATOM 2038 O GLN A 123 33.916 24.889 -32.364 1.00 0.00 O ATOM 2039 CB GLN A 123 32.172 22.728 -30.799 1.00 0.00 C ATOM 2040 CG GLN A 123 30.778 23.303 -30.477 1.00 0.00 C ATOM 2041 CD GLN A 123 29.630 22.497 -31.076 1.00 0.00 C ATOM 2042 OE1 GLN A 123 29.745 21.293 -31.297 1.00 0.00 O ATOM 2043 NE2 GLN A 123 28.503 23.145 -31.322 1.00 0.00 N ATOM 0 H GLN A 123 32.509 23.403 -28.449 1.00 0.00 H new ATOM 0 HA GLN A 123 34.314 23.136 -30.531 1.00 0.00 H new ATOM 0 HB2 GLN A 123 32.238 22.550 -31.872 1.00 0.00 H new ATOM 0 HB3 GLN A 123 32.274 21.760 -30.309 1.00 0.00 H new ATOM 0 HG2 GLN A 123 30.654 23.347 -29.395 1.00 0.00 H new ATOM 0 HG3 GLN A 123 30.723 24.327 -30.846 1.00 0.00 H new ATOM 0 HE21 GLN A 123 28.437 24.144 -31.129 1.00 0.00 H new ATOM 0 HE22 GLN A 123 27.701 22.645 -31.705 1.00 0.00 H new