USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 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 76 ASN : amide:sc= -2.63! K(o=-2.5!,f=-1.3) USER MOD Set 1.2: A 80 GLN : amide:sc= 0.163 K(o=-2.5,f=-1.3) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -2.3! K(o=-2.3!,f=-0.29) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.15) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -72:sc= -0.0722 USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= 1.14 (180deg=0.978) USER MOD Single : A 47 LYS NZ :NH3+ -125:sc= 0.301 (180deg=0.0882) USER MOD Single : A 49 MET CE :methyl -110:sc= -0.293 (180deg=-4.04!) USER MOD Single : A 52 TYR OH : rot -101:sc= 0.524 USER MOD Single : A 53 CYS SG : rot 46:sc= -4.2! USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 59 SER OG : rot 37:sc= 1.23 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 63:sc= 0.94 USER MOD Single : A 73 HIS : no HE2:sc= 0.108 K(o=0.11,f=-0.5) USER MOD Single : A 77 THR OG1 : rot -57:sc= 1.22 USER MOD Single : A 92 MET CE :methyl 166:sc= -0.361 (180deg=-0.965) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD ----------------------------------------------------------------- ATOM 268 N HIS A 22 38.285 5.013 -13.672 1.00 3.23 N ATOM 269 CA HIS A 22 38.337 6.428 -13.997 1.00 12.43 C ATOM 270 C HIS A 22 38.836 6.618 -15.419 1.00 51.25 C ATOM 271 O HIS A 22 39.290 5.669 -16.059 1.00 12.05 O ATOM 272 CB HIS A 22 39.270 7.172 -13.030 1.00 71.14 C ATOM 273 CG HIS A 22 38.773 7.238 -11.617 1.00 44.35 C ATOM 274 ND1 HIS A 22 39.140 6.333 -10.638 1.00 50.21 N ATOM 275 CD2 HIS A 22 37.947 8.124 -11.015 1.00 44.15 C ATOM 276 CE1 HIS A 22 38.557 6.663 -9.501 1.00 41.13 C ATOM 277 NE2 HIS A 22 37.833 7.744 -9.704 1.00 12.14 N ATOM 0 HA HIS A 22 37.330 6.836 -13.904 1.00 12.43 H new ATOM 0 HB2 HIS A 22 40.245 6.684 -13.037 1.00 71.14 H new ATOM 0 HB3 HIS A 22 39.419 8.187 -13.397 1.00 71.14 H new ATOM 0 HD2 HIS A 22 37.467 8.972 -11.481 1.00 44.15 H new ATOM 0 HE1 HIS A 22 38.657 6.136 -8.564 1.00 41.13 H new ATOM 0 HE2 HIS A 22 37.275 8.223 -8.997 1.00 12.14 H new ATOM 286 N ILE A 23 38.727 7.839 -15.909 1.00 0.22 N ATOM 287 CA ILE A 23 39.311 8.212 -17.184 1.00 11.25 C ATOM 288 C ILE A 23 40.197 9.435 -16.959 1.00 22.25 C ATOM 289 O ILE A 23 40.038 10.133 -15.959 1.00 42.51 O ATOM 290 CB ILE A 23 38.224 8.517 -18.247 1.00 3.34 C ATOM 291 CG1 ILE A 23 37.169 7.405 -18.262 1.00 25.13 C ATOM 292 CG2 ILE A 23 38.845 8.664 -19.631 1.00 32.34 C ATOM 293 CD1 ILE A 23 36.052 7.633 -19.255 1.00 44.31 C ATOM 0 H ILE A 23 38.234 8.597 -15.437 1.00 0.22 H new ATOM 0 HA ILE A 23 39.900 7.379 -17.567 1.00 11.25 H new ATOM 0 HB ILE A 23 37.744 9.459 -17.982 1.00 3.34 H new ATOM 0 HG12 ILE A 23 37.657 6.458 -18.491 1.00 25.13 H new ATOM 0 HG13 ILE A 23 36.741 7.310 -17.264 1.00 25.13 H new ATOM 0 HG21 ILE A 23 38.063 8.878 -20.360 1.00 32.34 H new ATOM 0 HG22 ILE A 23 39.565 9.482 -19.622 1.00 32.34 H new ATOM 0 HG23 ILE A 23 39.351 7.738 -19.903 1.00 32.34 H new ATOM 0 HD11 ILE A 23 35.346 6.804 -19.206 1.00 44.31 H new ATOM 0 HD12 ILE A 23 35.536 8.563 -19.015 1.00 44.31 H new ATOM 0 HD13 ILE A 23 36.467 7.697 -20.261 1.00 44.31 H new ATOM 305 N GLN A 24 41.119 9.695 -17.867 1.00 71.43 N ATOM 306 CA GLN A 24 42.095 10.762 -17.685 1.00 11.44 C ATOM 307 C GLN A 24 42.442 11.415 -19.015 1.00 52.41 C ATOM 308 O GLN A 24 42.671 10.725 -20.012 1.00 4.25 O ATOM 309 CB GLN A 24 43.372 10.207 -17.060 1.00 34.22 C ATOM 310 CG GLN A 24 44.483 11.237 -16.914 1.00 45.54 C ATOM 311 CD GLN A 24 45.857 10.601 -16.902 1.00 43.44 C ATOM 312 OE1 GLN A 24 46.791 11.115 -16.288 1.00 20.15 O ATOM 313 NE2 GLN A 24 45.988 9.470 -17.577 1.00 11.15 N ATOM 0 H GLN A 24 41.216 9.181 -18.743 1.00 71.43 H new ATOM 0 HA GLN A 24 41.653 11.508 -17.025 1.00 11.44 H new ATOM 0 HB2 GLN A 24 43.137 9.799 -16.077 1.00 34.22 H new ATOM 0 HB3 GLN A 24 43.734 9.380 -17.670 1.00 34.22 H new ATOM 0 HG2 GLN A 24 44.423 11.952 -17.735 1.00 45.54 H new ATOM 0 HG3 GLN A 24 44.337 11.798 -15.991 1.00 45.54 H new ATOM 0 HE21 GLN A 24 45.188 9.077 -18.073 1.00 11.15 H new ATOM 0 HE22 GLN A 24 46.889 8.992 -17.601 1.00 11.15 H new ATOM 322 N VAL A 25 42.496 12.739 -19.013 1.00 72.33 N ATOM 323 CA VAL A 25 42.897 13.504 -20.194 1.00 2.21 C ATOM 324 C VAL A 25 43.794 14.670 -19.787 1.00 52.41 C ATOM 325 O VAL A 25 43.666 15.207 -18.693 1.00 50.52 O ATOM 326 CB VAL A 25 41.682 14.058 -20.978 1.00 44.32 C ATOM 327 CG1 VAL A 25 40.824 12.929 -21.536 1.00 41.00 C ATOM 328 CG2 VAL A 25 40.851 14.980 -20.100 1.00 73.23 C ATOM 0 H VAL A 25 42.266 13.313 -18.202 1.00 72.33 H new ATOM 0 HA VAL A 25 43.437 12.817 -20.845 1.00 2.21 H new ATOM 0 HB VAL A 25 42.063 14.636 -21.820 1.00 44.32 H new ATOM 0 HG11 VAL A 25 39.979 13.350 -22.081 1.00 41.00 H new ATOM 0 HG12 VAL A 25 41.422 12.317 -22.210 1.00 41.00 H new ATOM 0 HG13 VAL A 25 40.456 12.312 -20.716 1.00 41.00 H new ATOM 0 HG21 VAL A 25 40.003 15.358 -20.670 1.00 73.23 H new ATOM 0 HG22 VAL A 25 40.488 14.428 -19.233 1.00 73.23 H new ATOM 0 HG23 VAL A 25 41.466 15.816 -19.766 1.00 73.23 H new ATOM 338 N LYS A 26 44.705 15.052 -20.652 1.00 74.44 N ATOM 339 CA LYS A 26 45.569 16.189 -20.388 1.00 34.43 C ATOM 340 C LYS A 26 45.373 17.255 -21.439 1.00 4.33 C ATOM 341 O LYS A 26 45.700 17.053 -22.601 1.00 44.10 O ATOM 342 CB LYS A 26 47.028 15.762 -20.348 1.00 54.54 C ATOM 343 CG LYS A 26 47.633 15.855 -18.963 1.00 22.30 C ATOM 344 CD LYS A 26 49.093 15.444 -18.970 1.00 20.41 C ATOM 345 CE LYS A 26 49.296 14.104 -19.664 1.00 55.05 C ATOM 346 NZ LYS A 26 50.734 13.828 -19.907 1.00 31.31 N1+ ATOM 0 H LYS A 26 44.870 14.593 -21.548 1.00 74.44 H new ATOM 0 HA LYS A 26 45.301 16.598 -19.414 1.00 34.43 H new ATOM 0 HB2 LYS A 26 47.111 14.736 -20.707 1.00 54.54 H new ATOM 0 HB3 LYS A 26 47.603 16.386 -21.032 1.00 54.54 H new ATOM 0 HG2 LYS A 26 47.542 16.876 -18.592 1.00 22.30 H new ATOM 0 HG3 LYS A 26 47.077 15.216 -18.277 1.00 22.30 H new ATOM 0 HD2 LYS A 26 49.684 16.208 -19.474 1.00 20.41 H new ATOM 0 HD3 LYS A 26 49.459 15.382 -17.945 1.00 20.41 H new ATOM 0 HE2 LYS A 26 48.870 13.308 -19.052 1.00 55.05 H new ATOM 0 HE3 LYS A 26 48.759 14.099 -20.612 1.00 55.05 H new ATOM 0 HZ1 LYS A 26 50.830 12.968 -20.484 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 51.162 14.632 -20.410 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 51.220 13.690 -18.998 1.00 31.31 H new ATOM 360 N VAL A 27 44.869 18.400 -21.032 1.00 15.45 N ATOM 361 CA VAL A 27 44.601 19.454 -21.956 1.00 72.53 C ATOM 362 C VAL A 27 45.773 20.391 -21.903 1.00 72.32 C ATOM 363 O VAL A 27 45.890 21.195 -20.972 1.00 14.32 O ATOM 364 CB VAL A 27 43.288 20.203 -21.619 1.00 61.10 C ATOM 365 CG1 VAL A 27 42.993 21.288 -22.647 1.00 55.43 C ATOM 366 CG2 VAL A 27 42.125 19.228 -21.525 1.00 73.33 C ATOM 0 H VAL A 27 44.640 18.615 -20.062 1.00 15.45 H new ATOM 0 HA VAL A 27 44.467 19.044 -22.957 1.00 72.53 H new ATOM 0 HB VAL A 27 43.417 20.685 -20.650 1.00 61.10 H new ATOM 0 HG11 VAL A 27 42.065 21.796 -22.384 1.00 55.43 H new ATOM 0 HG12 VAL A 27 43.811 22.009 -22.660 1.00 55.43 H new ATOM 0 HG13 VAL A 27 42.892 20.836 -23.634 1.00 55.43 H new ATOM 0 HG21 VAL A 27 41.211 19.773 -21.288 1.00 73.33 H new ATOM 0 HG22 VAL A 27 42.003 18.714 -22.478 1.00 73.33 H new ATOM 0 HG23 VAL A 27 42.325 18.497 -20.742 1.00 73.33 H new ATOM 376 N ARG A 28 46.678 20.245 -22.854 1.00 64.53 N ATOM 377 CA ARG A 28 47.815 21.113 -22.899 1.00 65.22 C ATOM 378 C ARG A 28 47.317 22.466 -23.270 1.00 63.41 C ATOM 379 O ARG A 28 46.942 22.729 -24.415 1.00 71.22 O ATOM 380 CB ARG A 28 48.868 20.652 -23.902 1.00 24.25 C ATOM 381 CG ARG A 28 50.010 21.641 -24.073 1.00 22.13 C ATOM 382 CD ARG A 28 51.107 21.057 -24.938 1.00 44.34 C ATOM 383 NE ARG A 28 50.867 21.271 -26.363 1.00 65.10 N ATOM 384 CZ ARG A 28 51.781 21.081 -27.315 1.00 45.54 C ATOM 385 NH1 ARG A 28 53.008 20.689 -26.998 1.00 33.24 N1+ ATOM 386 NH2 ARG A 28 51.463 21.285 -28.588 1.00 23.30 N ATOM 0 H ARG A 28 46.640 19.541 -23.591 1.00 64.53 H new ATOM 0 HA ARG A 28 48.303 21.113 -21.925 1.00 65.22 H new ATOM 0 HB2 ARG A 28 49.273 19.693 -23.578 1.00 24.25 H new ATOM 0 HB3 ARG A 28 48.392 20.487 -24.868 1.00 24.25 H new ATOM 0 HG2 ARG A 28 49.636 22.560 -24.525 1.00 22.13 H new ATOM 0 HG3 ARG A 28 50.415 21.908 -23.097 1.00 22.13 H new ATOM 0 HD2 ARG A 28 52.061 21.506 -24.662 1.00 44.34 H new ATOM 0 HD3 ARG A 28 51.189 19.988 -24.743 1.00 44.34 H new ATOM 0 HE ARG A 28 49.940 21.586 -26.648 1.00 65.10 H new ATOM 0 HH11 ARG A 28 53.257 20.531 -26.021 1.00 33.24 H new ATOM 0 HH12 ARG A 28 53.703 20.545 -27.731 1.00 33.24 H new ATOM 0 HH21 ARG A 28 50.521 21.587 -28.836 1.00 23.30 H new ATOM 0 HH22 ARG A 28 52.161 21.140 -29.318 1.00 23.30 H new ATOM 400 N SER A 29 47.255 23.300 -22.274 1.00 62.33 N ATOM 401 CA SER A 29 46.803 24.635 -22.472 1.00 61.53 C ATOM 402 C SER A 29 47.797 25.360 -23.389 1.00 72.53 C ATOM 403 O SER A 29 48.950 24.923 -23.496 1.00 31.23 O ATOM 404 CB SER A 29 46.647 25.309 -21.113 1.00 54.21 C ATOM 405 OG SER A 29 45.636 24.668 -20.351 1.00 31.13 O ATOM 0 H SER A 29 47.514 23.073 -21.314 1.00 62.33 H new ATOM 0 HA SER A 29 45.829 24.662 -22.960 1.00 61.53 H new ATOM 0 HB2 SER A 29 47.593 25.275 -20.573 1.00 54.21 H new ATOM 0 HB3 SER A 29 46.395 26.361 -21.249 1.00 54.21 H new ATOM 0 HG SER A 29 45.551 25.112 -19.482 1.00 31.13 H new ATOM 411 N PRO A 30 47.375 26.453 -24.062 1.00 15.42 N ATOM 412 CA PRO A 30 48.167 27.120 -25.127 1.00 23.11 C ATOM 413 C PRO A 30 49.489 27.741 -24.652 1.00 5.11 C ATOM 414 O PRO A 30 49.942 28.749 -25.197 1.00 72.52 O ATOM 415 CB PRO A 30 47.224 28.222 -25.622 1.00 45.42 C ATOM 416 CG PRO A 30 46.286 28.463 -24.492 1.00 63.25 C ATOM 417 CD PRO A 30 46.082 27.126 -23.847 1.00 61.25 C ATOM 0 HA PRO A 30 48.476 26.396 -25.882 1.00 23.11 H new ATOM 0 HB2 PRO A 30 47.775 29.127 -25.878 1.00 45.42 H new ATOM 0 HB3 PRO A 30 46.689 27.910 -26.519 1.00 45.42 H new ATOM 0 HG2 PRO A 30 46.701 29.181 -23.784 1.00 63.25 H new ATOM 0 HG3 PRO A 30 45.342 28.875 -24.847 1.00 63.25 H new ATOM 0 HD2 PRO A 30 45.848 27.221 -22.787 1.00 61.25 H new ATOM 0 HD3 PRO A 30 45.260 26.577 -24.307 1.00 61.25 H new ATOM 425 N ASP A 31 50.109 27.139 -23.657 1.00 62.14 N ATOM 426 CA ASP A 31 51.369 27.637 -23.136 1.00 43.34 C ATOM 427 C ASP A 31 52.356 26.492 -22.957 1.00 13.04 C ATOM 428 O ASP A 31 53.539 26.700 -22.691 1.00 21.24 O ATOM 429 CB ASP A 31 51.148 28.377 -21.816 1.00 0.44 C ATOM 430 CG ASP A 31 52.384 29.131 -21.368 1.00 63.12 C ATOM 431 OD1 ASP A 31 52.766 30.107 -22.048 1.00 44.23 O ATOM 432 OD2 ASP A 31 52.971 28.760 -20.333 1.00 12.51 O1- ATOM 0 H ASP A 31 49.760 26.301 -23.191 1.00 62.14 H new ATOM 0 HA ASP A 31 51.789 28.342 -23.853 1.00 43.34 H new ATOM 0 HB2 ASP A 31 50.319 29.076 -21.928 1.00 0.44 H new ATOM 0 HB3 ASP A 31 50.861 27.662 -21.045 1.00 0.44 H new ATOM 437 N GLY A 32 51.862 25.277 -23.123 1.00 1.23 N ATOM 438 CA GLY A 32 52.663 24.108 -22.840 1.00 64.22 C ATOM 439 C GLY A 32 52.280 23.502 -21.511 1.00 54.14 C ATOM 440 O GLY A 32 52.679 22.386 -21.186 1.00 43.15 O ATOM 0 H GLY A 32 50.916 25.079 -23.450 1.00 1.23 H new ATOM 0 HA2 GLY A 32 52.531 23.371 -23.632 1.00 64.22 H new ATOM 0 HA3 GLY A 32 53.719 24.379 -22.830 1.00 64.22 H new ATOM 444 N ALA A 33 51.492 24.248 -20.744 1.00 1.31 N ATOM 445 CA ALA A 33 51.001 23.781 -19.458 1.00 44.21 C ATOM 446 C ALA A 33 49.998 22.655 -19.655 1.00 14.20 C ATOM 447 O ALA A 33 48.831 22.885 -19.974 1.00 2.30 O ATOM 448 CB ALA A 33 50.379 24.926 -18.678 1.00 42.23 C ATOM 0 H ALA A 33 51.179 25.186 -20.996 1.00 1.31 H new ATOM 0 HA ALA A 33 51.842 23.396 -18.882 1.00 44.21 H new ATOM 0 HB1 ALA A 33 50.017 24.558 -17.718 1.00 42.23 H new ATOM 0 HB2 ALA A 33 51.127 25.701 -18.511 1.00 42.23 H new ATOM 0 HB3 ALA A 33 49.546 25.342 -19.245 1.00 42.23 H new ATOM 454 N GLU A 34 50.472 21.438 -19.491 1.00 63.03 N ATOM 455 CA GLU A 34 49.648 20.266 -19.695 1.00 51.32 C ATOM 456 C GLU A 34 49.267 19.669 -18.343 1.00 22.55 C ATOM 457 O GLU A 34 50.069 18.983 -17.707 1.00 43.25 O ATOM 458 CB GLU A 34 50.418 19.260 -20.555 1.00 4.31 C ATOM 459 CG GLU A 34 49.599 18.102 -21.085 1.00 43.11 C ATOM 460 CD GLU A 34 50.454 17.108 -21.850 1.00 11.42 C ATOM 461 OE1 GLU A 34 51.087 16.240 -21.208 1.00 70.41 O ATOM 462 OE2 GLU A 34 50.515 17.197 -23.092 1.00 0.35 O1- ATOM 0 H GLU A 34 51.432 21.234 -19.215 1.00 63.03 H new ATOM 0 HA GLU A 34 48.728 20.532 -20.215 1.00 51.32 H new ATOM 0 HB2 GLU A 34 50.857 19.790 -21.400 1.00 4.31 H new ATOM 0 HB3 GLU A 34 51.244 18.860 -19.966 1.00 4.31 H new ATOM 0 HG2 GLU A 34 49.108 17.595 -20.255 1.00 43.11 H new ATOM 0 HG3 GLU A 34 48.812 18.482 -21.737 1.00 43.11 H new ATOM 469 N VAL A 35 48.056 19.964 -17.890 1.00 72.24 N ATOM 470 CA VAL A 35 47.603 19.515 -16.582 1.00 1.04 C ATOM 471 C VAL A 35 46.647 18.340 -16.728 1.00 15.44 C ATOM 472 O VAL A 35 45.754 18.358 -17.580 1.00 34.34 O ATOM 473 CB VAL A 35 46.908 20.655 -15.803 1.00 73.02 C ATOM 474 CG1 VAL A 35 46.533 20.204 -14.400 1.00 43.24 C ATOM 475 CG2 VAL A 35 47.800 21.886 -15.749 1.00 72.21 C ATOM 0 H VAL A 35 47.370 20.512 -18.409 1.00 72.24 H new ATOM 0 HA VAL A 35 48.482 19.201 -16.019 1.00 1.04 H new ATOM 0 HB VAL A 35 45.991 20.916 -16.331 1.00 73.02 H new ATOM 0 HG11 VAL A 35 46.046 21.024 -13.872 1.00 43.24 H new ATOM 0 HG12 VAL A 35 45.852 19.355 -14.461 1.00 43.24 H new ATOM 0 HG13 VAL A 35 47.433 19.909 -13.860 1.00 43.24 H new ATOM 0 HG21 VAL A 35 47.294 22.678 -15.197 1.00 72.21 H new ATOM 0 HG22 VAL A 35 48.736 21.636 -15.249 1.00 72.21 H new ATOM 0 HG23 VAL A 35 48.010 22.228 -16.762 1.00 72.21 H new ATOM 485 N PHE A 36 46.849 17.316 -15.908 1.00 22.41 N ATOM 486 CA PHE A 36 46.056 16.102 -15.994 1.00 15.50 C ATOM 487 C PHE A 36 44.669 16.291 -15.390 1.00 3.00 C ATOM 488 O PHE A 36 44.512 16.576 -14.201 1.00 12.52 O ATOM 489 CB PHE A 36 46.795 14.918 -15.343 1.00 12.44 C ATOM 490 CG PHE A 36 47.296 15.170 -13.944 1.00 61.13 C ATOM 491 CD1 PHE A 36 46.585 14.717 -12.844 1.00 3.24 C ATOM 492 CD2 PHE A 36 48.485 15.851 -13.730 1.00 5.12 C ATOM 493 CE1 PHE A 36 47.048 14.938 -11.561 1.00 63.02 C ATOM 494 CE2 PHE A 36 48.952 16.075 -12.449 1.00 41.31 C ATOM 495 CZ PHE A 36 48.231 15.619 -11.362 1.00 34.21 C ATOM 0 H PHE A 36 47.558 17.305 -15.175 1.00 22.41 H new ATOM 0 HA PHE A 36 45.916 15.872 -17.050 1.00 15.50 H new ATOM 0 HB2 PHE A 36 46.125 14.058 -15.323 1.00 12.44 H new ATOM 0 HB3 PHE A 36 47.643 14.648 -15.973 1.00 12.44 H new ATOM 0 HD1 PHE A 36 45.657 14.184 -12.991 1.00 3.24 H new ATOM 0 HD2 PHE A 36 49.053 16.211 -14.575 1.00 5.12 H new ATOM 0 HE1 PHE A 36 46.484 14.577 -10.714 1.00 63.02 H new ATOM 0 HE2 PHE A 36 49.880 16.606 -12.297 1.00 41.31 H new ATOM 0 HZ PHE A 36 48.593 15.795 -10.360 1.00 34.21 H new ATOM 505 N PHE A 37 43.670 16.147 -16.238 1.00 25.01 N ATOM 506 CA PHE A 37 42.286 16.213 -15.827 1.00 62.04 C ATOM 507 C PHE A 37 41.689 14.822 -15.987 1.00 14.13 C ATOM 508 O PHE A 37 42.339 13.939 -16.542 1.00 31.45 O ATOM 509 CB PHE A 37 41.522 17.249 -16.656 1.00 14.23 C ATOM 510 CG PHE A 37 40.213 17.661 -16.045 1.00 31.32 C ATOM 511 CD1 PHE A 37 39.018 17.409 -16.694 1.00 22.33 C ATOM 512 CD2 PHE A 37 40.182 18.304 -14.817 1.00 54.35 C ATOM 513 CE1 PHE A 37 37.815 17.791 -16.132 1.00 21.44 C ATOM 514 CE2 PHE A 37 38.983 18.687 -14.250 1.00 51.45 C ATOM 515 CZ PHE A 37 37.798 18.431 -14.910 1.00 44.14 C ATOM 0 H PHE A 37 43.799 15.980 -17.236 1.00 25.01 H new ATOM 0 HA PHE A 37 42.212 16.529 -14.787 1.00 62.04 H new ATOM 0 HB2 PHE A 37 42.148 18.132 -16.784 1.00 14.23 H new ATOM 0 HB3 PHE A 37 41.337 16.842 -17.650 1.00 14.23 H new ATOM 0 HD1 PHE A 37 39.025 16.908 -17.651 1.00 22.33 H new ATOM 0 HD2 PHE A 37 41.107 18.508 -14.298 1.00 54.35 H new ATOM 0 HE1 PHE A 37 36.889 17.589 -16.649 1.00 21.44 H new ATOM 0 HE2 PHE A 37 38.972 19.186 -13.292 1.00 51.45 H new ATOM 0 HZ PHE A 37 36.858 18.731 -14.470 1.00 44.14 H new ATOM 525 N LYS A 38 40.478 14.596 -15.514 1.00 43.23 N ATOM 526 CA LYS A 38 39.974 13.239 -15.472 1.00 35.22 C ATOM 527 C LYS A 38 38.475 13.167 -15.725 1.00 51.03 C ATOM 528 O LYS A 38 37.764 14.176 -15.684 1.00 30.24 O ATOM 529 CB LYS A 38 40.315 12.582 -14.129 1.00 15.03 C ATOM 530 CG LYS A 38 39.603 13.186 -12.927 1.00 64.22 C ATOM 531 CD LYS A 38 40.233 14.493 -12.460 1.00 33.25 C ATOM 532 CE LYS A 38 41.608 14.268 -11.845 1.00 40.42 C ATOM 533 NZ LYS A 38 42.173 15.519 -11.274 1.00 40.01 N1+ ATOM 0 H LYS A 38 39.842 15.312 -15.163 1.00 43.23 H new ATOM 0 HA LYS A 38 40.465 12.693 -16.278 1.00 35.22 H new ATOM 0 HB2 LYS A 38 40.068 11.522 -14.185 1.00 15.03 H new ATOM 0 HB3 LYS A 38 41.391 12.651 -13.969 1.00 15.03 H new ATOM 0 HG2 LYS A 38 38.558 13.363 -13.181 1.00 64.22 H new ATOM 0 HG3 LYS A 38 39.615 12.469 -12.106 1.00 64.22 H new ATOM 0 HD2 LYS A 38 40.320 15.177 -13.304 1.00 33.25 H new ATOM 0 HD3 LYS A 38 39.581 14.970 -11.728 1.00 33.25 H new ATOM 0 HE2 LYS A 38 41.536 13.512 -11.063 1.00 40.42 H new ATOM 0 HE3 LYS A 38 42.286 13.877 -12.604 1.00 40.42 H new ATOM 0 HZ1 LYS A 38 43.109 15.322 -10.866 1.00 40.01 H new ATOM 0 HZ2 LYS A 38 42.266 16.232 -12.025 1.00 40.01 H new ATOM 0 HZ3 LYS A 38 41.540 15.879 -10.531 1.00 40.01 H new ATOM 547 N ILE A 39 38.019 11.953 -15.995 1.00 41.44 N ATOM 548 CA ILE A 39 36.614 11.667 -16.211 1.00 3.01 C ATOM 549 C ILE A 39 36.166 10.595 -15.215 1.00 15.21 C ATOM 550 O ILE A 39 36.962 9.735 -14.835 1.00 30.24 O ATOM 551 CB ILE A 39 36.349 11.157 -17.649 1.00 12.45 C ATOM 552 CG1 ILE A 39 36.949 12.112 -18.681 1.00 11.22 C ATOM 553 CG2 ILE A 39 34.856 10.993 -17.895 1.00 43.02 C ATOM 554 CD1 ILE A 39 36.774 11.647 -20.111 1.00 42.02 C ATOM 0 H ILE A 39 38.621 11.133 -16.070 1.00 41.44 H new ATOM 0 HA ILE A 39 36.054 12.591 -16.068 1.00 3.01 H new ATOM 0 HB ILE A 39 36.829 10.184 -17.755 1.00 12.45 H new ATOM 0 HG12 ILE A 39 36.487 13.093 -18.568 1.00 11.22 H new ATOM 0 HG13 ILE A 39 38.012 12.235 -18.475 1.00 11.22 H new ATOM 0 HG21 ILE A 39 34.692 10.634 -18.911 1.00 43.02 H new ATOM 0 HG22 ILE A 39 34.447 10.274 -17.185 1.00 43.02 H new ATOM 0 HG23 ILE A 39 34.358 11.954 -17.765 1.00 43.02 H new ATOM 0 HD11 ILE A 39 37.224 12.374 -20.788 1.00 42.02 H new ATOM 0 HD12 ILE A 39 37.260 10.680 -20.241 1.00 42.02 H new ATOM 0 HD13 ILE A 39 35.712 11.552 -20.335 1.00 42.02 H new ATOM 566 N LYS A 40 34.915 10.647 -14.781 1.00 5.12 N ATOM 567 CA LYS A 40 34.380 9.608 -13.904 1.00 34.14 C ATOM 568 C LYS A 40 33.067 9.097 -14.477 1.00 65.10 C ATOM 569 O LYS A 40 33.013 8.026 -15.082 1.00 60.22 O ATOM 570 CB LYS A 40 34.158 10.137 -12.485 1.00 24.04 C ATOM 571 CG LYS A 40 33.878 9.040 -11.468 1.00 24.31 C ATOM 572 CD LYS A 40 33.294 9.594 -10.176 1.00 53.32 C ATOM 573 CE LYS A 40 34.161 10.689 -9.574 1.00 24.33 C ATOM 574 NZ LYS A 40 33.612 11.180 -8.280 1.00 41.13 N1+ ATOM 0 H LYS A 40 34.255 11.388 -15.017 1.00 5.12 H new ATOM 0 HA LYS A 40 35.104 8.795 -13.848 1.00 34.14 H new ATOM 0 HB2 LYS A 40 35.040 10.696 -12.172 1.00 24.04 H new ATOM 0 HB3 LYS A 40 33.322 10.837 -12.493 1.00 24.04 H new ATOM 0 HG2 LYS A 40 33.186 8.316 -11.897 1.00 24.31 H new ATOM 0 HG3 LYS A 40 34.802 8.505 -11.248 1.00 24.31 H new ATOM 0 HD2 LYS A 40 32.297 9.989 -10.371 1.00 53.32 H new ATOM 0 HD3 LYS A 40 33.181 8.785 -9.454 1.00 53.32 H new ATOM 0 HE2 LYS A 40 35.171 10.309 -9.420 1.00 24.33 H new ATOM 0 HE3 LYS A 40 34.236 11.520 -10.276 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 34.230 11.925 -7.901 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 32.658 11.565 -8.432 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 33.564 10.393 -7.602 1.00 41.13 H new ATOM 588 N ARG A 41 32.015 9.877 -14.283 1.00 61.11 N ATOM 589 CA ARG A 41 30.745 9.628 -14.941 1.00 55.41 C ATOM 590 C ARG A 41 30.917 10.001 -16.406 1.00 11.40 C ATOM 591 O ARG A 41 31.739 10.869 -16.706 1.00 73.11 O ATOM 592 CB ARG A 41 29.649 10.475 -14.285 1.00 22.45 C ATOM 593 CG ARG A 41 28.234 10.128 -14.722 1.00 52.54 C ATOM 594 CD ARG A 41 27.214 11.018 -14.027 1.00 73.40 C ATOM 595 NE ARG A 41 25.836 10.672 -14.372 1.00 54.01 N ATOM 596 CZ ARG A 41 24.769 11.316 -13.903 1.00 61.02 C ATOM 597 NH1 ARG A 41 24.913 12.360 -13.093 1.00 20.44 N1+ ATOM 598 NH2 ARG A 41 23.555 10.915 -14.249 1.00 0.21 N ATOM 0 H ARG A 41 32.018 10.693 -13.671 1.00 61.11 H new ATOM 0 HA ARG A 41 30.451 8.582 -14.853 1.00 55.41 H new ATOM 0 HB2 ARG A 41 29.719 10.362 -13.203 1.00 22.45 H new ATOM 0 HB3 ARG A 41 29.837 11.525 -14.508 1.00 22.45 H new ATOM 0 HG2 ARG A 41 28.145 10.242 -15.802 1.00 52.54 H new ATOM 0 HG3 ARG A 41 28.025 9.083 -14.494 1.00 52.54 H new ATOM 0 HD2 ARG A 41 27.345 10.939 -12.948 1.00 73.40 H new ATOM 0 HD3 ARG A 41 27.402 12.057 -14.296 1.00 73.40 H new ATOM 0 HE ARG A 41 25.683 9.891 -15.010 1.00 54.01 H new ATOM 0 HH11 ARG A 41 25.846 12.674 -12.826 1.00 20.44 H new ATOM 0 HH12 ARG A 41 24.090 12.848 -12.738 1.00 20.44 H new ATOM 0 HH21 ARG A 41 23.440 10.116 -14.872 1.00 0.21 H new ATOM 0 HH22 ARG A 41 22.735 11.405 -13.892 1.00 0.21 H new ATOM 612 N LYS A 42 30.191 9.351 -17.316 1.00 54.02 N ATOM 613 CA LYS A 42 30.390 9.601 -18.742 1.00 62.15 C ATOM 614 C LYS A 42 30.205 11.080 -19.075 1.00 3.33 C ATOM 615 O LYS A 42 29.089 11.592 -19.165 1.00 72.44 O ATOM 616 CB LYS A 42 29.477 8.725 -19.616 1.00 51.35 C ATOM 617 CG LYS A 42 27.983 8.892 -19.367 1.00 53.14 C ATOM 618 CD LYS A 42 27.172 8.130 -20.401 1.00 3.24 C ATOM 619 CE LYS A 42 25.679 8.343 -20.218 1.00 73.02 C ATOM 620 NZ LYS A 42 24.889 7.634 -21.259 1.00 32.32 N1+ ATOM 0 H LYS A 42 29.473 8.660 -17.097 1.00 54.02 H new ATOM 0 HA LYS A 42 31.419 9.326 -18.971 1.00 62.15 H new ATOM 0 HB2 LYS A 42 29.681 8.948 -20.663 1.00 51.35 H new ATOM 0 HB3 LYS A 42 29.741 7.680 -19.455 1.00 51.35 H new ATOM 0 HG2 LYS A 42 27.735 8.534 -18.368 1.00 53.14 H new ATOM 0 HG3 LYS A 42 27.721 9.949 -19.401 1.00 53.14 H new ATOM 0 HD2 LYS A 42 27.465 8.451 -21.401 1.00 3.24 H new ATOM 0 HD3 LYS A 42 27.399 7.066 -20.329 1.00 3.24 H new ATOM 0 HE2 LYS A 42 25.380 7.990 -19.231 1.00 73.02 H new ATOM 0 HE3 LYS A 42 25.456 9.409 -20.256 1.00 73.02 H new ATOM 0 HZ1 LYS A 42 23.875 7.803 -21.101 1.00 32.32 H new ATOM 0 HZ2 LYS A 42 25.157 7.989 -22.199 1.00 32.32 H new ATOM 0 HZ3 LYS A 42 25.082 6.613 -21.206 1.00 32.32 H new ATOM 634 N THR A 43 31.323 11.762 -19.229 1.00 11.20 N ATOM 635 CA THR A 43 31.329 13.166 -19.568 1.00 30.45 C ATOM 636 C THR A 43 32.347 13.417 -20.666 1.00 71.22 C ATOM 637 O THR A 43 33.555 13.411 -20.424 1.00 12.31 O ATOM 638 CB THR A 43 31.635 14.039 -18.338 1.00 43.34 C ATOM 639 OG1 THR A 43 32.491 13.326 -17.433 1.00 31.45 O ATOM 640 CG2 THR A 43 30.353 14.438 -17.623 1.00 44.42 C ATOM 0 H THR A 43 32.252 11.355 -19.122 1.00 11.20 H new ATOM 0 HA THR A 43 30.336 13.441 -19.924 1.00 30.45 H new ATOM 0 HB THR A 43 32.138 14.944 -18.678 1.00 43.34 H new ATOM 0 HG1 THR A 43 31.983 12.609 -16.999 1.00 31.45 H new ATOM 0 HG21 THR A 43 30.596 15.054 -16.757 1.00 44.42 H new ATOM 0 HG22 THR A 43 29.717 15.004 -18.304 1.00 44.42 H new ATOM 0 HG23 THR A 43 29.826 13.542 -17.294 1.00 44.42 H new ATOM 648 N LYS A 44 31.845 13.589 -21.883 1.00 62.32 N ATOM 649 CA LYS A 44 32.695 13.698 -23.062 1.00 25.23 C ATOM 650 C LYS A 44 33.610 14.924 -23.038 1.00 4.31 C ATOM 651 O LYS A 44 33.600 15.723 -22.098 1.00 45.53 O ATOM 652 CB LYS A 44 31.854 13.657 -24.345 1.00 50.13 C ATOM 653 CG LYS A 44 30.589 14.504 -24.320 1.00 21.31 C ATOM 654 CD LYS A 44 29.686 14.138 -25.491 1.00 45.42 C ATOM 655 CE LYS A 44 28.282 14.706 -25.347 1.00 25.02 C ATOM 656 NZ LYS A 44 28.194 16.126 -25.770 1.00 21.22 N1+ ATOM 0 H LYS A 44 30.846 13.656 -22.080 1.00 62.32 H new ATOM 0 HA LYS A 44 33.356 12.831 -23.048 1.00 25.23 H new ATOM 0 HB2 LYS A 44 32.475 13.986 -25.178 1.00 50.13 H new ATOM 0 HB3 LYS A 44 31.575 12.622 -24.544 1.00 50.13 H new ATOM 0 HG2 LYS A 44 30.058 14.350 -23.380 1.00 21.31 H new ATOM 0 HG3 LYS A 44 30.850 15.561 -24.369 1.00 21.31 H new ATOM 0 HD2 LYS A 44 30.130 14.506 -26.416 1.00 45.42 H new ATOM 0 HD3 LYS A 44 29.628 13.053 -25.575 1.00 45.42 H new ATOM 0 HE2 LYS A 44 27.590 14.110 -25.942 1.00 25.02 H new ATOM 0 HE3 LYS A 44 27.964 14.620 -24.308 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 27.196 16.419 -25.798 1.00 21.22 H new ATOM 0 HZ2 LYS A 44 28.711 16.723 -25.093 1.00 21.22 H new ATOM 0 HZ3 LYS A 44 28.612 16.233 -26.716 1.00 21.22 H new ATOM 670 N LEU A 45 34.375 15.065 -24.115 1.00 35.14 N ATOM 671 CA LEU A 45 35.536 15.953 -24.173 1.00 14.24 C ATOM 672 C LEU A 45 35.193 17.426 -23.942 1.00 21.03 C ATOM 673 O LEU A 45 36.079 18.230 -23.649 1.00 72.43 O ATOM 674 CB LEU A 45 36.212 15.787 -25.531 1.00 45.14 C ATOM 675 CG LEU A 45 36.610 14.351 -25.884 1.00 62.15 C ATOM 676 CD1 LEU A 45 37.002 14.245 -27.350 1.00 1.23 C ATOM 677 CD2 LEU A 45 37.750 13.879 -24.995 1.00 32.21 C ATOM 0 H LEU A 45 34.206 14.560 -24.985 1.00 35.14 H new ATOM 0 HA LEU A 45 36.204 15.666 -23.361 1.00 14.24 H new ATOM 0 HB2 LEU A 45 35.540 16.162 -26.303 1.00 45.14 H new ATOM 0 HB3 LEU A 45 37.105 16.412 -25.555 1.00 45.14 H new ATOM 0 HG LEU A 45 35.747 13.707 -25.712 1.00 62.15 H new ATOM 0 HD11 LEU A 45 37.281 13.216 -27.579 1.00 1.23 H new ATOM 0 HD12 LEU A 45 36.158 14.539 -27.974 1.00 1.23 H new ATOM 0 HD13 LEU A 45 37.848 14.903 -27.549 1.00 1.23 H new ATOM 0 HD21 LEU A 45 38.019 12.857 -25.260 1.00 32.21 H new ATOM 0 HD22 LEU A 45 38.613 14.529 -25.135 1.00 32.21 H new ATOM 0 HD23 LEU A 45 37.436 13.912 -23.952 1.00 32.21 H new ATOM 689 N GLU A 46 33.918 17.777 -24.061 1.00 23.02 N ATOM 690 CA GLU A 46 33.496 19.167 -23.930 1.00 4.12 C ATOM 691 C GLU A 46 33.889 19.755 -22.575 1.00 12.14 C ATOM 692 O GLU A 46 34.610 20.746 -22.509 1.00 22.14 O ATOM 693 CB GLU A 46 31.990 19.289 -24.123 1.00 14.42 C ATOM 694 CG GLU A 46 31.510 18.826 -25.486 1.00 64.54 C ATOM 695 CD GLU A 46 30.007 18.896 -25.607 1.00 23.41 C ATOM 696 OE1 GLU A 46 29.323 18.199 -24.834 1.00 71.11 O ATOM 697 OE2 GLU A 46 29.501 19.642 -26.472 1.00 72.42 O1- ATOM 0 H GLU A 46 33.160 17.121 -24.247 1.00 23.02 H new ATOM 0 HA GLU A 46 34.009 19.733 -24.707 1.00 4.12 H new ATOM 0 HB2 GLU A 46 31.486 18.706 -23.353 1.00 14.42 H new ATOM 0 HB3 GLU A 46 31.697 20.329 -23.979 1.00 14.42 H new ATOM 0 HG2 GLU A 46 31.966 19.443 -26.260 1.00 64.54 H new ATOM 0 HG3 GLU A 46 31.841 17.802 -25.659 1.00 64.54 H new ATOM 704 N LYS A 47 33.440 19.132 -21.493 1.00 62.41 N ATOM 705 CA LYS A 47 33.687 19.674 -20.159 1.00 33.34 C ATOM 706 C LYS A 47 35.169 19.595 -19.802 1.00 42.22 C ATOM 707 O LYS A 47 35.676 20.421 -19.051 1.00 54.00 O ATOM 708 CB LYS A 47 32.826 18.955 -19.111 1.00 45.33 C ATOM 709 CG LYS A 47 33.176 17.491 -18.882 1.00 32.31 C ATOM 710 CD LYS A 47 34.131 17.311 -17.710 1.00 42.23 C ATOM 711 CE LYS A 47 34.367 15.839 -17.410 1.00 42.04 C ATOM 712 NZ LYS A 47 35.128 15.633 -16.148 1.00 24.31 N1+ ATOM 0 H LYS A 47 32.909 18.261 -21.509 1.00 62.41 H new ATOM 0 HA LYS A 47 33.402 20.726 -20.163 1.00 33.34 H new ATOM 0 HB2 LYS A 47 32.915 19.486 -18.163 1.00 45.33 H new ATOM 0 HB3 LYS A 47 31.781 19.019 -19.415 1.00 45.33 H new ATOM 0 HG2 LYS A 47 32.263 16.924 -18.697 1.00 32.31 H new ATOM 0 HG3 LYS A 47 33.628 17.081 -19.785 1.00 32.31 H new ATOM 0 HD2 LYS A 47 35.081 17.795 -17.935 1.00 42.23 H new ATOM 0 HD3 LYS A 47 33.723 17.803 -16.827 1.00 42.23 H new ATOM 0 HE2 LYS A 47 33.407 15.327 -17.340 1.00 42.04 H new ATOM 0 HE3 LYS A 47 34.912 15.385 -18.238 1.00 42.04 H new ATOM 0 HZ1 LYS A 47 35.971 15.055 -16.341 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 35.420 16.554 -15.765 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 34.525 15.145 -15.455 1.00 24.31 H new ATOM 726 N LEU A 48 35.856 18.613 -20.372 1.00 14.11 N ATOM 727 CA LEU A 48 37.283 18.422 -20.136 1.00 44.42 C ATOM 728 C LEU A 48 38.067 19.659 -20.547 1.00 0.14 C ATOM 729 O LEU A 48 39.026 20.045 -19.885 1.00 70.35 O ATOM 730 CB LEU A 48 37.776 17.201 -20.909 1.00 44.10 C ATOM 731 CG LEU A 48 37.131 15.881 -20.493 1.00 40.42 C ATOM 732 CD1 LEU A 48 37.520 14.774 -21.454 1.00 3.42 C ATOM 733 CD2 LEU A 48 37.531 15.523 -19.075 1.00 0.32 C ATOM 0 H LEU A 48 35.444 17.930 -21.007 1.00 14.11 H new ATOM 0 HA LEU A 48 37.442 18.258 -19.070 1.00 44.42 H new ATOM 0 HB2 LEU A 48 37.592 17.361 -21.971 1.00 44.10 H new ATOM 0 HB3 LEU A 48 38.855 17.119 -20.782 1.00 44.10 H new ATOM 0 HG LEU A 48 36.048 15.998 -20.527 1.00 40.42 H new ATOM 0 HD11 LEU A 48 37.052 13.840 -21.142 1.00 3.42 H new ATOM 0 HD12 LEU A 48 37.185 15.030 -22.459 1.00 3.42 H new ATOM 0 HD13 LEU A 48 38.603 14.655 -21.452 1.00 3.42 H new ATOM 0 HD21 LEU A 48 37.064 14.580 -18.792 1.00 0.32 H new ATOM 0 HD22 LEU A 48 38.615 15.423 -19.017 1.00 0.32 H new ATOM 0 HD23 LEU A 48 37.202 16.309 -18.395 1.00 0.32 H new ATOM 745 N MET A 49 37.642 20.286 -21.632 1.00 43.23 N ATOM 746 CA MET A 49 38.301 21.487 -22.115 1.00 60.12 C ATOM 747 C MET A 49 37.659 22.734 -21.509 1.00 53.42 C ATOM 748 O MET A 49 38.344 23.726 -21.261 1.00 5.35 O ATOM 749 CB MET A 49 38.255 21.555 -23.646 1.00 51.40 C ATOM 750 CG MET A 49 36.848 21.653 -24.209 1.00 63.31 C ATOM 751 SD MET A 49 36.807 21.595 -26.004 1.00 50.54 S ATOM 752 CE MET A 49 35.041 21.654 -26.304 1.00 11.13 C ATOM 0 H MET A 49 36.846 19.984 -22.193 1.00 43.23 H new ATOM 0 HA MET A 49 39.345 21.448 -21.804 1.00 60.12 H new ATOM 0 HB2 MET A 49 38.832 22.417 -23.980 1.00 51.40 H new ATOM 0 HB3 MET A 49 38.740 20.669 -24.055 1.00 51.40 H new ATOM 0 HG2 MET A 49 36.245 20.837 -23.810 1.00 63.31 H new ATOM 0 HG3 MET A 49 36.391 22.582 -23.870 1.00 63.31 H new ATOM 0 HE1 MET A 49 34.703 20.688 -26.679 1.00 11.13 H new ATOM 0 HE2 MET A 49 34.521 21.884 -25.374 1.00 11.13 H new ATOM 0 HE3 MET A 49 34.823 22.426 -27.042 1.00 11.13 H new ATOM 762 N GLU A 50 36.350 22.678 -21.259 1.00 62.40 N ATOM 763 CA GLU A 50 35.628 23.832 -20.734 1.00 61.02 C ATOM 764 C GLU A 50 36.044 24.167 -19.311 1.00 64.22 C ATOM 765 O GLU A 50 36.068 25.340 -18.937 1.00 60.03 O ATOM 766 CB GLU A 50 34.118 23.633 -20.786 1.00 62.50 C ATOM 767 CG GLU A 50 33.530 23.748 -22.177 1.00 60.44 C ATOM 768 CD GLU A 50 32.035 23.960 -22.137 1.00 51.34 C ATOM 769 OE1 GLU A 50 31.287 22.981 -22.290 1.00 24.22 O ATOM 770 OE2 GLU A 50 31.602 25.117 -21.934 1.00 23.12 O1- ATOM 0 H GLU A 50 35.773 21.850 -21.411 1.00 62.40 H new ATOM 0 HA GLU A 50 35.893 24.668 -21.381 1.00 61.02 H new ATOM 0 HB2 GLU A 50 33.877 22.650 -20.381 1.00 62.50 H new ATOM 0 HB3 GLU A 50 33.642 24.370 -20.139 1.00 62.50 H new ATOM 0 HG2 GLU A 50 34.001 24.578 -22.703 1.00 60.44 H new ATOM 0 HG3 GLU A 50 33.754 22.844 -22.743 1.00 60.44 H new ATOM 777 N VAL A 51 36.359 23.147 -18.513 1.00 23.21 N ATOM 778 CA VAL A 51 36.878 23.389 -17.170 1.00 24.13 C ATOM 779 C VAL A 51 38.119 24.278 -17.243 1.00 13.12 C ATOM 780 O VAL A 51 38.314 25.169 -16.418 1.00 53.21 O ATOM 781 CB VAL A 51 37.209 22.070 -16.427 1.00 43.11 C ATOM 782 CG1 VAL A 51 37.946 22.342 -15.122 1.00 70.21 C ATOM 783 CG2 VAL A 51 35.936 21.283 -16.151 1.00 72.35 C ATOM 0 H VAL A 51 36.266 22.164 -18.768 1.00 23.21 H new ATOM 0 HA VAL A 51 36.098 23.896 -16.602 1.00 24.13 H new ATOM 0 HB VAL A 51 37.861 21.480 -17.070 1.00 43.11 H new ATOM 0 HG11 VAL A 51 38.164 21.397 -14.624 1.00 70.21 H new ATOM 0 HG12 VAL A 51 38.879 22.865 -15.333 1.00 70.21 H new ATOM 0 HG13 VAL A 51 37.323 22.958 -14.474 1.00 70.21 H new ATOM 0 HG21 VAL A 51 36.185 20.359 -15.629 1.00 72.35 H new ATOM 0 HG22 VAL A 51 35.266 21.880 -15.532 1.00 72.35 H new ATOM 0 HG23 VAL A 51 35.444 21.045 -17.094 1.00 72.35 H new ATOM 793 N TYR A 52 38.936 24.061 -18.264 1.00 25.31 N ATOM 794 CA TYR A 52 40.122 24.875 -18.469 1.00 60.25 C ATOM 795 C TYR A 52 39.767 26.227 -19.083 1.00 22.34 C ATOM 796 O TYR A 52 40.376 27.236 -18.733 1.00 70.03 O ATOM 797 CB TYR A 52 41.152 24.133 -19.321 1.00 50.21 C ATOM 798 CG TYR A 52 41.836 23.020 -18.562 1.00 54.44 C ATOM 799 CD1 TYR A 52 42.854 23.300 -17.661 1.00 10.40 C ATOM 800 CD2 TYR A 52 41.458 21.695 -18.734 1.00 35.44 C ATOM 801 CE1 TYR A 52 43.474 22.293 -16.950 1.00 44.31 C ATOM 802 CE2 TYR A 52 42.076 20.681 -18.028 1.00 2.44 C ATOM 803 CZ TYR A 52 43.085 20.985 -17.137 1.00 61.10 C ATOM 804 OH TYR A 52 43.698 19.982 -16.423 1.00 70.14 O ATOM 0 H TYR A 52 38.798 23.329 -18.961 1.00 25.31 H new ATOM 0 HA TYR A 52 40.569 25.066 -17.493 1.00 60.25 H new ATOM 0 HB2 TYR A 52 40.660 23.719 -20.202 1.00 50.21 H new ATOM 0 HB3 TYR A 52 41.901 24.840 -19.677 1.00 50.21 H new ATOM 0 HD1 TYR A 52 43.166 24.323 -17.514 1.00 10.40 H new ATOM 0 HD2 TYR A 52 40.669 21.453 -19.430 1.00 35.44 H new ATOM 0 HE1 TYR A 52 44.261 22.530 -16.250 1.00 44.31 H new ATOM 0 HE2 TYR A 52 41.771 19.655 -18.173 1.00 2.44 H new ATOM 0 HH TYR A 52 44.357 19.532 -16.991 1.00 70.14 H new ATOM 814 N CYS A 53 38.781 26.252 -19.986 1.00 62.33 N ATOM 815 CA CYS A 53 38.279 27.509 -20.530 1.00 41.30 C ATOM 816 C CYS A 53 37.905 28.472 -19.404 1.00 4.33 C ATOM 817 O CYS A 53 38.388 29.605 -19.347 1.00 34.34 O ATOM 818 CB CYS A 53 37.056 27.247 -21.410 1.00 62.10 C ATOM 819 SG CYS A 53 37.337 26.047 -22.731 1.00 24.41 S ATOM 0 H CYS A 53 38.320 25.419 -20.351 1.00 62.33 H new ATOM 0 HA CYS A 53 39.067 27.962 -21.131 1.00 41.30 H new ATOM 0 HB2 CYS A 53 36.239 26.893 -20.781 1.00 62.10 H new ATOM 0 HB3 CYS A 53 36.733 28.189 -21.853 1.00 62.10 H new ATOM 0 HG CYS A 53 37.971 25.017 -22.254 1.00 24.41 H new ATOM 825 N ASN A 54 37.067 27.995 -18.491 1.00 31.24 N ATOM 826 CA ASN A 54 36.610 28.810 -17.371 1.00 23.21 C ATOM 827 C ASN A 54 37.760 29.122 -16.419 1.00 50.15 C ATOM 828 O ASN A 54 37.806 30.196 -15.819 1.00 44.41 O ATOM 829 CB ASN A 54 35.479 28.092 -16.624 1.00 60.32 C ATOM 830 CG ASN A 54 34.902 28.918 -15.487 1.00 62.25 C ATOM 831 OD1 ASN A 54 34.019 29.753 -15.698 1.00 53.02 O ATOM 832 ND2 ASN A 54 35.377 28.680 -14.272 1.00 23.34 N ATOM 0 H ASN A 54 36.690 27.047 -18.504 1.00 31.24 H new ATOM 0 HA ASN A 54 36.231 29.753 -17.765 1.00 23.21 H new ATOM 0 HB2 ASN A 54 34.684 27.847 -17.328 1.00 60.32 H new ATOM 0 HB3 ASN A 54 35.854 27.149 -16.227 1.00 60.32 H new ATOM 0 HD21 ASN A 54 35.012 29.196 -13.471 1.00 23.34 H new ATOM 0 HD22 ASN A 54 36.108 27.981 -14.138 1.00 23.34 H new ATOM 839 N ARG A 55 38.699 28.193 -16.308 1.00 12.20 N ATOM 840 CA ARG A 55 39.822 28.338 -15.392 1.00 42.42 C ATOM 841 C ARG A 55 40.778 29.442 -15.856 1.00 32.14 C ATOM 842 O ARG A 55 41.298 30.201 -15.038 1.00 34.11 O ATOM 843 CB ARG A 55 40.565 27.006 -15.260 1.00 23.13 C ATOM 844 CG ARG A 55 41.653 27.003 -14.196 1.00 12.33 C ATOM 845 CD ARG A 55 42.250 25.615 -14.017 1.00 14.04 C ATOM 846 NE ARG A 55 43.286 25.588 -12.988 1.00 32.42 N ATOM 847 CZ ARG A 55 43.559 24.530 -12.227 1.00 13.03 C ATOM 848 NH1 ARG A 55 42.875 23.398 -12.373 1.00 74.42 N1+ ATOM 849 NH2 ARG A 55 44.519 24.604 -11.317 1.00 31.52 N ATOM 0 H ARG A 55 38.705 27.326 -16.845 1.00 12.20 H new ATOM 0 HA ARG A 55 39.432 28.626 -14.416 1.00 42.42 H new ATOM 0 HB2 ARG A 55 39.844 26.222 -15.029 1.00 23.13 H new ATOM 0 HB3 ARG A 55 41.012 26.755 -16.222 1.00 23.13 H new ATOM 0 HG2 ARG A 55 42.438 27.705 -14.475 1.00 12.33 H new ATOM 0 HG3 ARG A 55 41.239 27.348 -13.249 1.00 12.33 H new ATOM 0 HD2 ARG A 55 41.459 24.913 -13.753 1.00 14.04 H new ATOM 0 HD3 ARG A 55 42.672 25.278 -14.964 1.00 14.04 H new ATOM 0 HE ARG A 55 43.836 26.435 -12.843 1.00 32.42 H new ATOM 0 HH11 ARG A 55 42.135 23.336 -13.072 1.00 74.42 H new ATOM 0 HH12 ARG A 55 43.091 22.592 -11.786 1.00 74.42 H new ATOM 0 HH21 ARG A 55 45.046 25.469 -11.201 1.00 31.52 H new ATOM 0 HH22 ARG A 55 44.731 23.796 -10.732 1.00 31.52 H new ATOM 863 N LEU A 56 41.003 29.540 -17.166 1.00 75.42 N ATOM 864 CA LEU A 56 41.930 30.538 -17.695 1.00 60.21 C ATOM 865 C LEU A 56 41.219 31.861 -17.989 1.00 22.05 C ATOM 866 O LEU A 56 41.867 32.886 -18.204 1.00 73.52 O ATOM 867 CB LEU A 56 42.666 30.001 -18.937 1.00 50.30 C ATOM 868 CG LEU A 56 41.814 29.729 -20.184 1.00 25.35 C ATOM 869 CD1 LEU A 56 41.738 30.964 -21.067 1.00 0.31 C ATOM 870 CD2 LEU A 56 42.376 28.551 -20.967 1.00 31.13 C ATOM 0 H LEU A 56 40.563 28.949 -17.871 1.00 75.42 H new ATOM 0 HA LEU A 56 42.678 30.739 -16.928 1.00 60.21 H new ATOM 0 HB2 LEU A 56 43.443 30.716 -19.206 1.00 50.30 H new ATOM 0 HB3 LEU A 56 43.168 29.074 -18.660 1.00 50.30 H new ATOM 0 HG LEU A 56 40.804 29.480 -19.858 1.00 25.35 H new ATOM 0 HD11 LEU A 56 41.129 30.747 -21.945 1.00 0.31 H new ATOM 0 HD12 LEU A 56 41.289 31.784 -20.507 1.00 0.31 H new ATOM 0 HD13 LEU A 56 42.742 31.248 -21.383 1.00 0.31 H new ATOM 0 HD21 LEU A 56 41.759 28.372 -21.848 1.00 31.13 H new ATOM 0 HD22 LEU A 56 43.397 28.774 -21.278 1.00 31.13 H new ATOM 0 HD23 LEU A 56 42.375 27.662 -20.337 1.00 31.13 H new ATOM 882 N GLY A 57 39.892 31.833 -18.008 1.00 1.41 N ATOM 883 CA GLY A 57 39.128 33.066 -18.109 1.00 43.53 C ATOM 884 C GLY A 57 38.635 33.368 -19.511 1.00 60.04 C ATOM 885 O GLY A 57 38.129 34.462 -19.772 1.00 13.12 O ATOM 0 H GLY A 57 39.331 30.983 -17.956 1.00 1.41 H new ATOM 0 HA2 GLY A 57 38.271 33.008 -17.438 1.00 43.53 H new ATOM 0 HA3 GLY A 57 39.747 33.895 -17.765 1.00 43.53 H new ATOM 889 N GLN A 58 38.796 32.422 -20.421 1.00 5.23 N ATOM 890 CA GLN A 58 38.279 32.574 -21.773 1.00 75.33 C ATOM 891 C GLN A 58 37.952 31.206 -22.354 1.00 45.23 C ATOM 892 O GLN A 58 38.732 30.264 -22.220 1.00 23.22 O ATOM 893 CB GLN A 58 39.275 33.332 -22.656 1.00 11.42 C ATOM 894 CG GLN A 58 38.695 33.758 -23.995 1.00 44.44 C ATOM 895 CD GLN A 58 39.519 34.827 -24.693 1.00 61.21 C ATOM 896 OE1 GLN A 58 38.980 35.645 -25.439 1.00 43.03 O ATOM 897 NE2 GLN A 58 40.823 34.835 -24.458 1.00 21.11 N ATOM 0 H GLN A 58 39.280 31.541 -20.250 1.00 5.23 H new ATOM 0 HA GLN A 58 37.363 33.163 -21.739 1.00 75.33 H new ATOM 0 HB2 GLN A 58 39.623 34.216 -22.122 1.00 11.42 H new ATOM 0 HB3 GLN A 58 40.147 32.702 -22.831 1.00 11.42 H new ATOM 0 HG2 GLN A 58 38.619 32.886 -24.644 1.00 44.44 H new ATOM 0 HG3 GLN A 58 37.682 34.131 -23.842 1.00 44.44 H new ATOM 0 HE21 GLN A 58 41.233 34.141 -23.833 1.00 21.11 H new ATOM 0 HE22 GLN A 58 41.417 35.536 -24.902 1.00 21.11 H new ATOM 906 N SER A 59 36.797 31.097 -22.990 1.00 14.32 N ATOM 907 CA SER A 59 36.289 29.806 -23.417 1.00 21.14 C ATOM 908 C SER A 59 36.959 29.286 -24.693 1.00 30.15 C ATOM 909 O SER A 59 37.824 29.937 -25.284 1.00 21.13 O ATOM 910 CB SER A 59 34.770 29.854 -23.551 1.00 31.20 C ATOM 911 OG SER A 59 34.340 31.068 -24.139 1.00 0.21 O ATOM 0 H SER A 59 36.195 31.887 -23.221 1.00 14.32 H new ATOM 0 HA SER A 59 36.547 29.086 -22.641 1.00 21.14 H new ATOM 0 HB2 SER A 59 34.430 29.014 -24.157 1.00 31.20 H new ATOM 0 HB3 SER A 59 34.313 29.743 -22.568 1.00 31.20 H new ATOM 0 HG SER A 59 34.978 31.340 -24.831 1.00 0.21 H new ATOM 917 N MET A 60 36.528 28.101 -25.104 1.00 4.23 N ATOM 918 CA MET A 60 37.249 27.282 -26.070 1.00 54.32 C ATOM 919 C MET A 60 37.250 27.826 -27.505 1.00 62.24 C ATOM 920 O MET A 60 38.026 27.359 -28.330 1.00 52.30 O ATOM 921 CB MET A 60 36.747 25.832 -26.015 1.00 53.34 C ATOM 922 CG MET A 60 35.241 25.660 -26.149 1.00 74.42 C ATOM 923 SD MET A 60 34.625 25.999 -27.811 1.00 3.20 S ATOM 924 CE MET A 60 32.921 25.474 -27.664 1.00 21.54 C ATOM 0 H MET A 60 35.661 27.677 -24.774 1.00 4.23 H new ATOM 0 HA MET A 60 38.296 27.318 -25.769 1.00 54.32 H new ATOM 0 HB2 MET A 60 37.233 25.266 -26.810 1.00 53.34 H new ATOM 0 HB3 MET A 60 37.064 25.391 -25.070 1.00 53.34 H new ATOM 0 HG2 MET A 60 34.973 24.641 -25.871 1.00 74.42 H new ATOM 0 HG3 MET A 60 34.743 26.324 -25.443 1.00 74.42 H new ATOM 0 HE1 MET A 60 32.411 25.624 -28.615 1.00 21.54 H new ATOM 0 HE2 MET A 60 32.887 24.418 -27.396 1.00 21.54 H new ATOM 0 HE3 MET A 60 32.425 26.060 -26.890 1.00 21.54 H new ATOM 934 N GLU A 61 36.400 28.793 -27.833 1.00 23.42 N ATOM 935 CA GLU A 61 36.452 29.368 -29.181 1.00 74.42 C ATOM 936 C GLU A 61 37.649 30.315 -29.300 1.00 75.51 C ATOM 937 O GLU A 61 37.910 30.886 -30.361 1.00 20.42 O ATOM 938 CB GLU A 61 35.147 30.081 -29.578 1.00 42.44 C ATOM 939 CG GLU A 61 34.844 31.350 -28.797 1.00 61.05 C ATOM 940 CD GLU A 61 34.472 31.070 -27.368 1.00 11.12 C ATOM 941 OE1 GLU A 61 33.332 30.628 -27.123 1.00 22.14 O ATOM 942 OE2 GLU A 61 35.320 31.278 -26.485 1.00 34.12 O1- ATOM 0 H GLU A 61 35.691 29.186 -27.214 1.00 23.42 H new ATOM 0 HA GLU A 61 36.574 28.541 -29.881 1.00 74.42 H new ATOM 0 HB2 GLU A 61 35.194 30.328 -30.639 1.00 42.44 H new ATOM 0 HB3 GLU A 61 34.317 29.386 -29.449 1.00 42.44 H new ATOM 0 HG2 GLU A 61 35.715 32.004 -28.821 1.00 61.05 H new ATOM 0 HG3 GLU A 61 34.029 31.886 -29.283 1.00 61.05 H new ATOM 949 N ALA A 62 38.370 30.467 -28.195 1.00 52.12 N ATOM 950 CA ALA A 62 39.604 31.222 -28.165 1.00 65.21 C ATOM 951 C ALA A 62 40.779 30.289 -27.880 1.00 34.10 C ATOM 952 O ALA A 62 41.927 30.728 -27.793 1.00 64.00 O ATOM 953 CB ALA A 62 39.528 32.324 -27.124 1.00 61.24 C ATOM 0 H ALA A 62 38.109 30.066 -27.294 1.00 52.12 H new ATOM 0 HA ALA A 62 39.757 31.687 -29.139 1.00 65.21 H new ATOM 0 HB1 ALA A 62 40.465 32.882 -27.115 1.00 61.24 H new ATOM 0 HB2 ALA A 62 38.707 32.998 -27.367 1.00 61.24 H new ATOM 0 HB3 ALA A 62 39.358 31.885 -26.141 1.00 61.24 H new ATOM 959 N VAL A 63 40.483 28.996 -27.753 1.00 73.13 N ATOM 960 CA VAL A 63 41.509 27.966 -27.604 1.00 24.42 C ATOM 961 C VAL A 63 41.102 26.701 -28.364 1.00 55.34 C ATOM 962 O VAL A 63 40.264 25.923 -27.910 1.00 73.14 O ATOM 963 CB VAL A 63 41.808 27.625 -26.118 1.00 61.35 C ATOM 964 CG1 VAL A 63 42.687 28.694 -25.487 1.00 71.21 C ATOM 965 CG2 VAL A 63 40.523 27.466 -25.314 1.00 55.25 C ATOM 0 H VAL A 63 39.529 28.635 -27.751 1.00 73.13 H new ATOM 0 HA VAL A 63 42.428 28.370 -28.028 1.00 24.42 H new ATOM 0 HB VAL A 63 42.340 26.674 -26.102 1.00 61.35 H new ATOM 0 HG11 VAL A 63 42.884 28.436 -24.447 1.00 71.21 H new ATOM 0 HG12 VAL A 63 43.630 28.757 -26.030 1.00 71.21 H new ATOM 0 HG13 VAL A 63 42.178 29.657 -25.531 1.00 71.21 H new ATOM 0 HG21 VAL A 63 40.768 27.228 -24.279 1.00 55.25 H new ATOM 0 HG22 VAL A 63 39.955 28.396 -25.348 1.00 55.25 H new ATOM 0 HG23 VAL A 63 39.925 26.660 -25.740 1.00 55.25 H new ATOM 975 N ARG A 64 41.711 26.503 -29.526 1.00 62.12 N ATOM 976 CA ARG A 64 41.313 25.443 -30.442 1.00 22.32 C ATOM 977 C ARG A 64 41.697 24.079 -29.902 1.00 10.41 C ATOM 978 O ARG A 64 42.873 23.756 -29.792 1.00 51.14 O ATOM 979 CB ARG A 64 41.945 25.656 -31.816 1.00 54.44 C ATOM 980 CG ARG A 64 41.402 24.725 -32.892 1.00 13.01 C ATOM 981 CD ARG A 64 39.885 24.817 -32.996 1.00 42.55 C ATOM 982 NE ARG A 64 39.373 24.134 -34.185 1.00 31.25 N ATOM 983 CZ ARG A 64 38.160 23.584 -34.273 1.00 15.00 C ATOM 984 NH1 ARG A 64 37.333 23.607 -33.235 1.00 3.51 N1+ ATOM 985 NH2 ARG A 64 37.770 23.013 -35.407 1.00 70.22 N ATOM 0 H ARG A 64 42.491 27.070 -29.859 1.00 62.12 H new ATOM 0 HA ARG A 64 40.228 25.480 -30.541 1.00 22.32 H new ATOM 0 HB2 ARG A 64 41.781 26.688 -32.125 1.00 54.44 H new ATOM 0 HB3 ARG A 64 43.023 25.514 -31.736 1.00 54.44 H new ATOM 0 HG2 ARG A 64 41.850 24.978 -33.853 1.00 13.01 H new ATOM 0 HG3 ARG A 64 41.691 23.699 -32.666 1.00 13.01 H new ATOM 0 HD2 ARG A 64 39.434 24.380 -32.105 1.00 42.55 H new ATOM 0 HD3 ARG A 64 39.587 25.865 -33.024 1.00 42.55 H new ATOM 0 HE ARG A 64 39.983 24.074 -35.000 1.00 31.25 H new ATOM 0 HH11 ARG A 64 37.623 24.047 -32.362 1.00 3.51 H new ATOM 0 HH12 ARG A 64 36.408 23.184 -33.311 1.00 3.51 H new ATOM 0 HH21 ARG A 64 38.398 22.995 -36.211 1.00 70.22 H new ATOM 0 HH22 ARG A 64 36.843 22.593 -35.474 1.00 70.22 H new ATOM 999 N PHE A 65 40.687 23.290 -29.597 1.00 1.01 N ATOM 1000 CA PHE A 65 40.866 21.976 -29.007 1.00 71.14 C ATOM 1001 C PHE A 65 41.227 20.916 -30.049 1.00 51.04 C ATOM 1002 O PHE A 65 40.419 20.564 -30.909 1.00 10.13 O ATOM 1003 CB PHE A 65 39.590 21.577 -28.257 1.00 12.02 C ATOM 1004 CG PHE A 65 38.316 21.986 -28.956 1.00 4.35 C ATOM 1005 CD1 PHE A 65 37.790 23.258 -28.777 1.00 23.21 C ATOM 1006 CD2 PHE A 65 37.640 21.100 -29.778 1.00 74.42 C ATOM 1007 CE1 PHE A 65 36.623 23.636 -29.409 1.00 40.23 C ATOM 1008 CE2 PHE A 65 36.470 21.475 -30.413 1.00 32.51 C ATOM 1009 CZ PHE A 65 35.960 22.743 -30.224 1.00 22.21 C ATOM 0 H PHE A 65 39.711 23.543 -29.752 1.00 1.01 H new ATOM 0 HA PHE A 65 41.703 22.032 -28.311 1.00 71.14 H new ATOM 0 HB2 PHE A 65 39.585 20.496 -28.118 1.00 12.02 H new ATOM 0 HB3 PHE A 65 39.608 22.026 -27.264 1.00 12.02 H new ATOM 0 HD1 PHE A 65 38.300 23.961 -28.135 1.00 23.21 H new ATOM 0 HD2 PHE A 65 38.031 20.104 -29.925 1.00 74.42 H new ATOM 0 HE1 PHE A 65 36.229 24.631 -29.265 1.00 40.23 H new ATOM 0 HE2 PHE A 65 35.956 20.776 -31.056 1.00 32.51 H new ATOM 0 HZ PHE A 65 35.043 23.036 -30.714 1.00 22.21 H new ATOM 1019 N LEU A 66 42.459 20.439 -29.982 1.00 3.44 N ATOM 1020 CA LEU A 66 42.894 19.305 -30.785 1.00 54.44 C ATOM 1021 C LEU A 66 42.992 18.062 -29.911 1.00 3.34 C ATOM 1022 O LEU A 66 43.690 18.066 -28.899 1.00 63.15 O ATOM 1023 CB LEU A 66 44.249 19.580 -31.454 1.00 43.35 C ATOM 1024 CG LEU A 66 44.203 20.444 -32.723 1.00 33.23 C ATOM 1025 CD1 LEU A 66 43.819 21.879 -32.400 1.00 0.12 C ATOM 1026 CD2 LEU A 66 45.540 20.398 -33.449 1.00 53.02 C ATOM 0 H LEU A 66 43.183 20.823 -29.374 1.00 3.44 H new ATOM 0 HA LEU A 66 42.156 19.144 -31.571 1.00 54.44 H new ATOM 0 HB2 LEU A 66 44.899 20.068 -30.728 1.00 43.35 H new ATOM 0 HB3 LEU A 66 44.710 18.625 -31.704 1.00 43.35 H new ATOM 0 HG LEU A 66 43.436 20.033 -33.380 1.00 33.23 H new ATOM 0 HD11 LEU A 66 43.795 22.465 -33.319 1.00 0.12 H new ATOM 0 HD12 LEU A 66 42.834 21.896 -31.933 1.00 0.12 H new ATOM 0 HD13 LEU A 66 44.552 22.307 -31.716 1.00 0.12 H new ATOM 0 HD21 LEU A 66 45.489 21.016 -34.346 1.00 53.02 H new ATOM 0 HD22 LEU A 66 46.324 20.776 -32.792 1.00 53.02 H new ATOM 0 HD23 LEU A 66 45.766 19.369 -33.730 1.00 53.02 H new ATOM 1038 N TYR A 67 42.315 17.000 -30.313 1.00 31.41 N ATOM 1039 CA TYR A 67 42.263 15.784 -29.519 1.00 20.11 C ATOM 1040 C TYR A 67 43.184 14.732 -30.110 1.00 74.01 C ATOM 1041 O TYR A 67 43.066 14.393 -31.291 1.00 2.22 O ATOM 1042 CB TYR A 67 40.835 15.241 -29.464 1.00 43.11 C ATOM 1043 CG TYR A 67 39.816 16.217 -28.922 1.00 44.31 C ATOM 1044 CD1 TYR A 67 39.768 16.527 -27.572 1.00 53.11 C ATOM 1045 CD2 TYR A 67 38.889 16.815 -29.763 1.00 43.34 C ATOM 1046 CE1 TYR A 67 38.822 17.404 -27.074 1.00 20.14 C ATOM 1047 CE2 TYR A 67 37.943 17.694 -29.275 1.00 70.41 C ATOM 1048 CZ TYR A 67 37.913 17.986 -27.930 1.00 13.14 C ATOM 1049 OH TYR A 67 36.961 18.851 -27.438 1.00 73.41 O ATOM 0 H TYR A 67 41.792 16.955 -31.188 1.00 31.41 H new ATOM 0 HA TYR A 67 42.591 16.022 -28.507 1.00 20.11 H new ATOM 0 HB2 TYR A 67 40.535 14.941 -30.468 1.00 43.11 H new ATOM 0 HB3 TYR A 67 40.824 14.343 -28.846 1.00 43.11 H new ATOM 0 HD1 TYR A 67 40.481 16.076 -26.898 1.00 53.11 H new ATOM 0 HD2 TYR A 67 38.908 16.589 -30.819 1.00 43.34 H new ATOM 0 HE1 TYR A 67 38.796 17.632 -26.019 1.00 20.14 H new ATOM 0 HE2 TYR A 67 37.230 18.150 -29.945 1.00 70.41 H new ATOM 0 HH TYR A 67 37.401 19.635 -27.049 1.00 73.41 H new ATOM 1059 N ASP A 68 44.114 14.236 -29.295 1.00 41.34 N ATOM 1060 CA ASP A 68 45.137 13.291 -29.757 1.00 70.30 C ATOM 1061 C ASP A 68 45.947 13.912 -30.907 1.00 63.40 C ATOM 1062 O ASP A 68 46.584 13.226 -31.703 1.00 15.11 O ATOM 1063 CB ASP A 68 44.475 11.962 -30.179 1.00 75.51 C ATOM 1064 CG ASP A 68 45.458 10.911 -30.669 1.00 2.14 C ATOM 1065 OD1 ASP A 68 46.347 10.495 -29.892 1.00 32.21 O ATOM 1066 OD2 ASP A 68 45.335 10.481 -31.837 1.00 31.41 O1- ATOM 0 H ASP A 68 44.182 14.473 -28.305 1.00 41.34 H new ATOM 0 HA ASP A 68 45.828 13.075 -28.942 1.00 70.30 H new ATOM 0 HB2 ASP A 68 43.920 11.559 -29.332 1.00 75.51 H new ATOM 0 HB3 ASP A 68 43.750 12.163 -30.968 1.00 75.51 H new ATOM 1071 N GLY A 69 45.944 15.241 -30.957 1.00 73.33 N ATOM 1072 CA GLY A 69 46.665 15.949 -31.994 1.00 31.22 C ATOM 1073 C GLY A 69 45.772 16.363 -33.150 1.00 61.52 C ATOM 1074 O GLY A 69 46.208 17.082 -34.046 1.00 60.14 O ATOM 0 H GLY A 69 45.452 15.840 -30.294 1.00 73.33 H new ATOM 0 HA2 GLY A 69 47.132 16.836 -31.565 1.00 31.22 H new ATOM 0 HA3 GLY A 69 47.468 15.315 -32.370 1.00 31.22 H new ATOM 1078 N ASP A 70 44.521 15.918 -33.135 1.00 53.11 N ATOM 1079 CA ASP A 70 43.587 16.240 -34.210 1.00 72.13 C ATOM 1080 C ASP A 70 42.334 16.923 -33.676 1.00 44.24 C ATOM 1081 O ASP A 70 41.599 16.357 -32.869 1.00 64.30 O ATOM 1082 CB ASP A 70 43.201 14.980 -34.987 1.00 12.43 C ATOM 1083 CG ASP A 70 42.193 15.265 -36.083 1.00 51.11 C ATOM 1084 OD1 ASP A 70 41.199 14.523 -36.196 1.00 0.21 O ATOM 1085 OD2 ASP A 70 42.397 16.236 -36.847 1.00 51.24 O1- ATOM 0 H ASP A 70 44.130 15.336 -32.394 1.00 53.11 H new ATOM 0 HA ASP A 70 44.093 16.933 -34.883 1.00 72.13 H new ATOM 0 HB2 ASP A 70 44.096 14.538 -35.426 1.00 12.43 H new ATOM 0 HB3 ASP A 70 42.787 14.244 -34.298 1.00 12.43 H new ATOM 1090 N ARG A 71 42.117 18.154 -34.110 1.00 22.42 N ATOM 1091 CA ARG A 71 40.918 18.902 -33.750 1.00 4.53 C ATOM 1092 C ARG A 71 39.660 18.226 -34.278 1.00 73.24 C ATOM 1093 O ARG A 71 39.523 17.988 -35.473 1.00 53.50 O ATOM 1094 CB ARG A 71 40.999 20.359 -34.249 1.00 35.54 C ATOM 1095 CG ARG A 71 41.810 20.556 -35.528 1.00 31.51 C ATOM 1096 CD ARG A 71 40.944 20.942 -36.722 1.00 31.40 C ATOM 1097 NE ARG A 71 40.116 19.834 -37.184 1.00 41.13 N ATOM 1098 CZ ARG A 71 39.284 19.885 -38.222 1.00 30.34 C ATOM 1099 NH1 ARG A 71 39.170 20.999 -38.941 1.00 31.45 N1+ ATOM 1100 NH2 ARG A 71 38.583 18.809 -38.554 1.00 61.14 N ATOM 0 H ARG A 71 42.760 18.662 -34.717 1.00 22.42 H new ATOM 0 HA ARG A 71 40.860 18.916 -32.662 1.00 4.53 H new ATOM 0 HB2 ARG A 71 39.987 20.727 -34.418 1.00 35.54 H new ATOM 0 HB3 ARG A 71 41.435 20.974 -33.461 1.00 35.54 H new ATOM 0 HG2 ARG A 71 42.559 21.330 -35.362 1.00 31.51 H new ATOM 0 HG3 ARG A 71 42.348 19.636 -35.757 1.00 31.51 H new ATOM 0 HD2 ARG A 71 40.305 21.781 -36.449 1.00 31.40 H new ATOM 0 HD3 ARG A 71 41.583 21.280 -37.538 1.00 31.40 H new ATOM 0 HE ARG A 71 40.179 18.953 -36.673 1.00 41.13 H new ATOM 0 HH11 ARG A 71 39.722 21.821 -38.698 1.00 31.45 H new ATOM 0 HH12 ARG A 71 38.530 21.030 -39.735 1.00 31.45 H new ATOM 0 HH21 ARG A 71 38.683 17.949 -38.015 1.00 61.14 H new ATOM 0 HH22 ARG A 71 37.944 18.842 -39.348 1.00 61.14 H new ATOM 1114 N ILE A 72 38.756 17.907 -33.367 1.00 75.30 N ATOM 1115 CA ILE A 72 37.465 17.323 -33.709 1.00 23.12 C ATOM 1116 C ILE A 72 36.427 17.794 -32.702 1.00 21.23 C ATOM 1117 O ILE A 72 36.647 18.777 -32.001 1.00 74.34 O ATOM 1118 CB ILE A 72 37.495 15.773 -33.739 1.00 62.51 C ATOM 1119 CG1 ILE A 72 38.240 15.218 -32.521 1.00 50.23 C ATOM 1120 CG2 ILE A 72 38.117 15.267 -35.029 1.00 14.53 C ATOM 1121 CD1 ILE A 72 38.279 13.706 -32.461 1.00 62.02 C ATOM 0 H ILE A 72 38.895 18.045 -32.366 1.00 75.30 H new ATOM 0 HA ILE A 72 37.210 17.655 -34.715 1.00 23.12 H new ATOM 0 HB ILE A 72 36.466 15.416 -33.698 1.00 62.51 H new ATOM 0 HG12 ILE A 72 39.262 15.598 -32.528 1.00 50.23 H new ATOM 0 HG13 ILE A 72 37.766 15.595 -31.615 1.00 50.23 H new ATOM 0 HG21 ILE A 72 38.126 14.177 -35.025 1.00 14.53 H new ATOM 0 HG22 ILE A 72 37.533 15.622 -35.878 1.00 14.53 H new ATOM 0 HG23 ILE A 72 39.139 15.638 -35.110 1.00 14.53 H new ATOM 0 HD11 ILE A 72 38.823 13.391 -31.571 1.00 62.02 H new ATOM 0 HD12 ILE A 72 37.262 13.317 -32.421 1.00 62.02 H new ATOM 0 HD13 ILE A 72 38.780 13.319 -33.348 1.00 62.02 H new ATOM 1133 N HIS A 73 35.299 17.110 -32.634 1.00 53.04 N ATOM 1134 CA HIS A 73 34.254 17.481 -31.687 1.00 43.03 C ATOM 1135 C HIS A 73 34.449 16.769 -30.359 1.00 24.44 C ATOM 1136 O HIS A 73 35.106 15.728 -30.290 1.00 15.32 O ATOM 1137 CB HIS A 73 32.874 17.132 -32.230 1.00 55.44 C ATOM 1138 CG HIS A 73 32.399 17.996 -33.357 1.00 52.52 C ATOM 1139 ND1 HIS A 73 31.135 17.885 -33.887 1.00 23.24 N ATOM 1140 CD2 HIS A 73 33.012 18.986 -34.055 1.00 42.44 C ATOM 1141 CE1 HIS A 73 30.990 18.759 -34.865 1.00 61.52 C ATOM 1142 NE2 HIS A 73 32.113 19.444 -34.987 1.00 53.34 N ATOM 0 H HIS A 73 35.081 16.301 -33.216 1.00 53.04 H new ATOM 0 HA HIS A 73 34.323 18.559 -31.538 1.00 43.03 H new ATOM 0 HB2 HIS A 73 32.884 16.095 -32.567 1.00 55.44 H new ATOM 0 HB3 HIS A 73 32.153 17.195 -31.415 1.00 55.44 H new ATOM 0 HD1 HIS A 73 30.420 17.229 -33.573 1.00 23.24 H new ATOM 0 HD2 HIS A 73 34.019 19.346 -33.905 1.00 42.44 H new ATOM 0 HE1 HIS A 73 30.102 18.892 -35.465 1.00 61.52 H new ATOM 1151 N GLY A 74 33.848 17.317 -29.313 1.00 2.32 N ATOM 1152 CA GLY A 74 33.901 16.687 -28.012 1.00 30.33 C ATOM 1153 C GLY A 74 32.958 15.505 -27.929 1.00 45.23 C ATOM 1154 O GLY A 74 33.093 14.649 -27.051 1.00 50.31 O ATOM 0 H GLY A 74 33.323 18.191 -29.344 1.00 2.32 H new ATOM 0 HA2 GLY A 74 34.919 16.356 -27.808 1.00 30.33 H new ATOM 0 HA3 GLY A 74 33.642 17.415 -27.243 1.00 30.33 H new ATOM 1158 N ASP A 75 32.009 15.456 -28.861 1.00 32.14 N ATOM 1159 CA ASP A 75 31.026 14.374 -28.925 1.00 72.23 C ATOM 1160 C ASP A 75 31.647 13.090 -29.462 1.00 10.20 C ATOM 1161 O ASP A 75 31.023 12.028 -29.423 1.00 3.33 O ATOM 1162 CB ASP A 75 29.832 14.776 -29.805 1.00 71.41 C ATOM 1163 CG ASP A 75 30.234 15.190 -31.213 1.00 34.44 C ATOM 1164 OD1 ASP A 75 30.046 16.374 -31.558 1.00 15.34 O ATOM 1165 OD2 ASP A 75 30.745 14.341 -31.974 1.00 4.31 O1- ATOM 0 H ASP A 75 31.899 16.161 -29.590 1.00 32.14 H new ATOM 0 HA ASP A 75 30.677 14.191 -27.909 1.00 72.23 H new ATOM 0 HB2 ASP A 75 29.136 13.940 -29.865 1.00 71.41 H new ATOM 0 HB3 ASP A 75 29.300 15.600 -29.329 1.00 71.41 H new ATOM 1170 N ASN A 76 32.873 13.189 -29.953 1.00 64.25 N ATOM 1171 CA ASN A 76 33.558 12.041 -30.536 1.00 64.43 C ATOM 1172 C ASN A 76 33.880 11.000 -29.468 1.00 13.52 C ATOM 1173 O ASN A 76 33.755 9.802 -29.709 1.00 71.25 O ATOM 1174 CB ASN A 76 34.848 12.493 -31.228 1.00 33.10 C ATOM 1175 CG ASN A 76 35.558 11.365 -31.959 1.00 40.10 C ATOM 1176 OD1 ASN A 76 35.301 11.114 -33.132 1.00 32.24 O ATOM 1177 ND2 ASN A 76 36.462 10.681 -31.276 1.00 30.14 N ATOM 0 H ASN A 76 33.416 14.052 -29.960 1.00 64.25 H new ATOM 0 HA ASN A 76 32.895 11.587 -31.272 1.00 64.43 H new ATOM 0 HB2 ASN A 76 34.614 13.287 -31.937 1.00 33.10 H new ATOM 0 HB3 ASN A 76 35.523 12.918 -30.485 1.00 33.10 H new ATOM 0 HD21 ASN A 76 36.970 9.918 -31.724 1.00 30.14 H new ATOM 0 HD22 ASN A 76 36.651 10.917 -30.302 1.00 30.14 H new ATOM 1184 N THR A 77 34.261 11.490 -28.281 1.00 21.44 N ATOM 1185 CA THR A 77 34.728 10.665 -27.151 1.00 65.40 C ATOM 1186 C THR A 77 36.023 9.917 -27.499 1.00 53.35 C ATOM 1187 O THR A 77 36.231 9.505 -28.641 1.00 42.51 O ATOM 1188 CB THR A 77 33.655 9.668 -26.620 1.00 70.12 C ATOM 1189 OG1 THR A 77 33.442 8.584 -27.532 1.00 4.33 O ATOM 1190 CG2 THR A 77 32.333 10.379 -26.359 1.00 65.33 C ATOM 0 H THR A 77 34.254 12.488 -28.072 1.00 21.44 H new ATOM 0 HA THR A 77 34.929 11.369 -26.343 1.00 65.40 H new ATOM 0 HB THR A 77 34.036 9.261 -25.683 1.00 70.12 H new ATOM 0 HG1 THR A 77 33.184 8.939 -28.408 1.00 4.33 H new ATOM 0 HG21 THR A 77 31.601 9.661 -25.989 1.00 65.33 H new ATOM 0 HG22 THR A 77 32.482 11.162 -25.615 1.00 65.33 H new ATOM 0 HG23 THR A 77 31.970 10.823 -27.286 1.00 65.33 H new ATOM 1198 N PRO A 78 36.921 9.750 -26.514 1.00 63.14 N ATOM 1199 CA PRO A 78 38.236 9.129 -26.727 1.00 44.41 C ATOM 1200 C PRO A 78 38.150 7.728 -27.338 1.00 73.22 C ATOM 1201 O PRO A 78 38.780 7.457 -28.359 1.00 62.52 O ATOM 1202 CB PRO A 78 38.847 9.061 -25.317 1.00 13.24 C ATOM 1203 CG PRO A 78 37.708 9.289 -24.381 1.00 24.53 C ATOM 1204 CD PRO A 78 36.739 10.165 -25.116 1.00 62.11 C ATOM 0 HA PRO A 78 38.830 9.705 -27.437 1.00 44.41 H new ATOM 0 HB2 PRO A 78 39.315 8.093 -25.138 1.00 13.24 H new ATOM 0 HB3 PRO A 78 39.620 9.818 -25.187 1.00 13.24 H new ATOM 0 HG2 PRO A 78 37.242 8.346 -24.096 1.00 24.53 H new ATOM 0 HG3 PRO A 78 38.048 9.768 -23.462 1.00 24.53 H new ATOM 0 HD2 PRO A 78 35.715 10.008 -24.778 1.00 62.11 H new ATOM 0 HD3 PRO A 78 36.963 11.223 -24.976 1.00 62.11 H new ATOM 1212 N GLU A 79 37.332 6.865 -26.734 1.00 53.55 N ATOM 1213 CA GLU A 79 37.290 5.442 -27.093 1.00 13.34 C ATOM 1214 C GLU A 79 36.981 5.226 -28.578 1.00 42.02 C ATOM 1215 O GLU A 79 37.462 4.268 -29.182 1.00 71.44 O ATOM 1216 CB GLU A 79 36.257 4.707 -26.232 1.00 73.21 C ATOM 1217 CG GLU A 79 34.837 5.216 -26.414 1.00 74.52 C ATOM 1218 CD GLU A 79 33.827 4.434 -25.605 1.00 5.43 C ATOM 1219 OE1 GLU A 79 33.081 5.054 -24.821 1.00 63.15 O ATOM 1220 OE2 GLU A 79 33.768 3.195 -25.753 1.00 62.13 O1- ATOM 0 H GLU A 79 36.685 7.126 -25.990 1.00 53.55 H new ATOM 0 HA GLU A 79 38.282 5.034 -26.902 1.00 13.34 H new ATOM 0 HB2 GLU A 79 36.286 3.644 -26.473 1.00 73.21 H new ATOM 0 HB3 GLU A 79 36.537 4.804 -25.183 1.00 73.21 H new ATOM 0 HG2 GLU A 79 34.792 6.266 -26.125 1.00 74.52 H new ATOM 0 HG3 GLU A 79 34.569 5.164 -27.469 1.00 74.52 H new ATOM 1227 N GLN A 80 36.198 6.130 -29.161 1.00 45.33 N ATOM 1228 CA GLN A 80 35.809 6.023 -30.563 1.00 74.25 C ATOM 1229 C GLN A 80 36.968 6.420 -31.476 1.00 73.11 C ATOM 1230 O GLN A 80 37.011 6.046 -32.646 1.00 61.03 O ATOM 1231 CB GLN A 80 34.594 6.921 -30.837 1.00 42.54 C ATOM 1232 CG GLN A 80 34.070 6.843 -32.264 1.00 40.33 C ATOM 1233 CD GLN A 80 32.903 7.779 -32.504 1.00 61.53 C ATOM 1234 OE1 GLN A 80 31.746 7.412 -32.298 1.00 12.31 O ATOM 1235 NE2 GLN A 80 33.193 8.988 -32.954 1.00 14.43 N ATOM 0 H GLN A 80 35.820 6.947 -28.682 1.00 45.33 H new ATOM 0 HA GLN A 80 35.545 4.986 -30.772 1.00 74.25 H new ATOM 0 HB2 GLN A 80 33.792 6.647 -30.152 1.00 42.54 H new ATOM 0 HB3 GLN A 80 34.863 7.954 -30.616 1.00 42.54 H new ATOM 0 HG2 GLN A 80 34.875 7.086 -32.957 1.00 40.33 H new ATOM 0 HG3 GLN A 80 33.762 5.820 -32.479 1.00 40.33 H new ATOM 0 HE21 GLN A 80 34.165 9.254 -33.112 1.00 14.43 H new ATOM 0 HE22 GLN A 80 32.445 9.655 -33.143 1.00 14.43 H new ATOM 1244 N LEU A 81 37.931 7.148 -30.925 1.00 2.24 N ATOM 1245 CA LEU A 81 38.982 7.744 -31.738 1.00 73.11 C ATOM 1246 C LEU A 81 40.191 6.819 -31.856 1.00 31.23 C ATOM 1247 O LEU A 81 40.884 6.821 -32.873 1.00 13.32 O ATOM 1248 CB LEU A 81 39.403 9.089 -31.139 1.00 12.23 C ATOM 1249 CG LEU A 81 40.416 9.893 -31.959 1.00 34.10 C ATOM 1250 CD1 LEU A 81 39.851 10.229 -33.331 1.00 12.24 C ATOM 1251 CD2 LEU A 81 40.802 11.164 -31.219 1.00 63.31 C ATOM 0 H LEU A 81 38.006 7.339 -29.926 1.00 2.24 H new ATOM 0 HA LEU A 81 38.585 7.901 -32.741 1.00 73.11 H new ATOM 0 HB2 LEU A 81 38.511 9.699 -30.999 1.00 12.23 H new ATOM 0 HB3 LEU A 81 39.825 8.909 -30.150 1.00 12.23 H new ATOM 0 HG LEU A 81 41.309 9.283 -32.097 1.00 34.10 H new ATOM 0 HD11 LEU A 81 40.586 10.800 -33.897 1.00 12.24 H new ATOM 0 HD12 LEU A 81 39.618 9.307 -33.864 1.00 12.24 H new ATOM 0 HD13 LEU A 81 38.943 10.820 -33.216 1.00 12.24 H new ATOM 0 HD21 LEU A 81 41.523 11.726 -31.813 1.00 63.31 H new ATOM 0 HD22 LEU A 81 39.913 11.773 -31.054 1.00 63.31 H new ATOM 0 HD23 LEU A 81 41.247 10.905 -30.258 1.00 63.31 H new ATOM 1263 N GLY A 82 40.434 6.020 -30.826 1.00 62.20 N ATOM 1264 CA GLY A 82 41.583 5.139 -30.841 1.00 2.54 C ATOM 1265 C GLY A 82 42.539 5.519 -29.747 1.00 50.45 C ATOM 1266 O GLY A 82 43.404 4.742 -29.348 1.00 62.11 O ATOM 0 H GLY A 82 39.859 5.966 -29.985 1.00 62.20 H new ATOM 0 HA2 GLY A 82 41.261 4.106 -30.710 1.00 2.54 H new ATOM 0 HA3 GLY A 82 42.083 5.197 -31.808 1.00 2.54 H new ATOM 1270 N ILE A 83 42.375 6.740 -29.275 1.00 21.12 N ATOM 1271 CA ILE A 83 43.049 7.198 -28.085 1.00 62.23 C ATOM 1272 C ILE A 83 42.165 6.870 -26.889 1.00 53.32 C ATOM 1273 O ILE A 83 40.967 6.645 -27.045 1.00 34.30 O ATOM 1274 CB ILE A 83 43.346 8.716 -28.149 1.00 12.34 C ATOM 1275 CG1 ILE A 83 44.219 9.153 -26.967 1.00 11.32 C ATOM 1276 CG2 ILE A 83 42.052 9.516 -28.178 1.00 63.43 C ATOM 1277 CD1 ILE A 83 45.589 8.507 -26.942 1.00 21.45 C ATOM 0 H ILE A 83 41.771 7.438 -29.708 1.00 21.12 H new ATOM 0 HA ILE A 83 44.011 6.695 -27.994 1.00 62.23 H new ATOM 0 HB ILE A 83 43.895 8.913 -29.070 1.00 12.34 H new ATOM 0 HG12 ILE A 83 44.340 10.236 -26.998 1.00 11.32 H new ATOM 0 HG13 ILE A 83 43.700 8.917 -26.038 1.00 11.32 H new ATOM 0 HG21 ILE A 83 42.283 10.580 -28.223 1.00 63.43 H new ATOM 0 HG22 ILE A 83 41.469 9.234 -29.055 1.00 63.43 H new ATOM 0 HG23 ILE A 83 41.475 9.308 -27.277 1.00 63.43 H new ATOM 0 HD11 ILE A 83 46.145 8.867 -26.077 1.00 21.45 H new ATOM 0 HD12 ILE A 83 45.480 7.424 -26.878 1.00 21.45 H new ATOM 0 HD13 ILE A 83 46.129 8.764 -27.853 1.00 21.45 H new ATOM 1289 N GLU A 84 42.740 6.814 -25.713 1.00 64.03 N ATOM 1290 CA GLU A 84 42.007 6.396 -24.539 1.00 52.21 C ATOM 1291 C GLU A 84 42.681 7.017 -23.316 1.00 4.41 C ATOM 1292 O GLU A 84 43.270 8.084 -23.448 1.00 32.15 O ATOM 1293 CB GLU A 84 41.971 4.864 -24.507 1.00 52.31 C ATOM 1294 CG GLU A 84 40.949 4.274 -23.551 1.00 42.14 C ATOM 1295 CD GLU A 84 41.074 2.770 -23.426 1.00 24.00 C ATOM 1296 OE1 GLU A 84 41.892 2.306 -22.607 1.00 30.13 O ATOM 1297 OE2 GLU A 84 40.359 2.043 -24.153 1.00 13.42 O1- ATOM 0 H GLU A 84 43.717 7.053 -25.541 1.00 64.03 H new ATOM 0 HA GLU A 84 40.972 6.737 -24.549 1.00 52.21 H new ATOM 0 HB2 GLU A 84 41.762 4.498 -25.512 1.00 52.31 H new ATOM 0 HB3 GLU A 84 42.960 4.496 -24.233 1.00 52.31 H new ATOM 0 HG2 GLU A 84 41.071 4.729 -22.568 1.00 42.14 H new ATOM 0 HG3 GLU A 84 39.946 4.525 -23.896 1.00 42.14 H new ATOM 1304 N ASP A 85 42.581 6.388 -22.143 1.00 34.14 N ATOM 1305 CA ASP A 85 43.184 6.932 -20.919 1.00 62.20 C ATOM 1306 C ASP A 85 44.593 7.452 -21.171 1.00 24.11 C ATOM 1307 O ASP A 85 45.483 6.703 -21.582 1.00 63.13 O ATOM 1308 CB ASP A 85 43.230 5.881 -19.810 1.00 41.01 C ATOM 1309 CG ASP A 85 44.138 6.306 -18.674 1.00 33.33 C ATOM 1310 OD1 ASP A 85 43.847 7.333 -18.031 1.00 0.20 O ATOM 1311 OD2 ASP A 85 45.162 5.629 -18.440 1.00 54.52 O1- ATOM 0 H ASP A 85 42.090 5.504 -22.012 1.00 34.14 H new ATOM 0 HA ASP A 85 42.553 7.762 -20.602 1.00 62.20 H new ATOM 0 HB2 ASP A 85 42.224 5.711 -19.428 1.00 41.01 H new ATOM 0 HB3 ASP A 85 43.579 4.934 -20.220 1.00 41.01 H new ATOM 1316 N GLY A 86 44.786 8.740 -20.931 1.00 32.23 N ATOM 1317 CA GLY A 86 46.062 9.360 -21.209 1.00 42.34 C ATOM 1318 C GLY A 86 45.983 10.280 -22.406 1.00 60.32 C ATOM 1319 O GLY A 86 46.996 10.814 -22.858 1.00 42.55 O ATOM 0 H GLY A 86 44.079 9.367 -20.548 1.00 32.23 H new ATOM 0 HA2 GLY A 86 46.391 9.924 -20.336 1.00 42.34 H new ATOM 0 HA3 GLY A 86 46.810 8.589 -21.391 1.00 42.34 H new ATOM 1323 N ASP A 87 44.769 10.441 -22.929 1.00 21.12 N ATOM 1324 CA ASP A 87 44.518 11.319 -24.068 1.00 23.23 C ATOM 1325 C ASP A 87 44.894 12.754 -23.732 1.00 62.04 C ATOM 1326 O ASP A 87 44.841 13.163 -22.571 1.00 50.43 O ATOM 1327 CB ASP A 87 43.044 11.247 -24.486 1.00 41.43 C ATOM 1328 CG ASP A 87 42.712 12.201 -25.624 1.00 70.52 C ATOM 1329 OD1 ASP A 87 41.672 12.888 -25.541 1.00 13.22 O ATOM 1330 OD2 ASP A 87 43.501 12.273 -26.596 1.00 3.13 O1- ATOM 0 H ASP A 87 43.936 9.969 -22.577 1.00 21.12 H new ATOM 0 HA ASP A 87 45.137 10.982 -24.900 1.00 23.23 H new ATOM 0 HB2 ASP A 87 42.806 10.228 -24.790 1.00 41.43 H new ATOM 0 HB3 ASP A 87 42.415 11.479 -23.627 1.00 41.43 H new ATOM 1335 N VAL A 88 45.275 13.513 -24.743 1.00 40.21 N ATOM 1336 CA VAL A 88 45.669 14.891 -24.541 1.00 30.05 C ATOM 1337 C VAL A 88 44.914 15.809 -25.492 1.00 62.31 C ATOM 1338 O VAL A 88 44.571 15.430 -26.617 1.00 44.01 O ATOM 1339 CB VAL A 88 47.190 15.111 -24.711 1.00 1.54 C ATOM 1340 CG1 VAL A 88 47.982 14.230 -23.755 1.00 21.12 C ATOM 1341 CG2 VAL A 88 47.618 14.868 -26.146 1.00 55.10 C ATOM 0 H VAL A 88 45.319 13.196 -25.712 1.00 40.21 H new ATOM 0 HA VAL A 88 45.415 15.135 -23.510 1.00 30.05 H new ATOM 0 HB VAL A 88 47.404 16.151 -24.466 1.00 1.54 H new ATOM 0 HG11 VAL A 88 49.048 14.406 -23.897 1.00 21.12 H new ATOM 0 HG12 VAL A 88 47.708 14.470 -22.728 1.00 21.12 H new ATOM 0 HG13 VAL A 88 47.757 13.182 -23.955 1.00 21.12 H new ATOM 0 HG21 VAL A 88 48.692 15.030 -26.238 1.00 55.10 H new ATOM 0 HG22 VAL A 88 47.380 13.842 -26.428 1.00 55.10 H new ATOM 0 HG23 VAL A 88 47.090 15.557 -26.805 1.00 55.10 H new ATOM 1351 N ILE A 89 44.677 17.021 -25.035 1.00 14.43 N ATOM 1352 CA ILE A 89 43.908 17.992 -25.782 1.00 51.25 C ATOM 1353 C ILE A 89 44.712 19.268 -25.873 1.00 71.31 C ATOM 1354 O ILE A 89 44.947 19.925 -24.869 1.00 41.13 O ATOM 1355 CB ILE A 89 42.555 18.289 -25.098 1.00 64.41 C ATOM 1356 CG1 ILE A 89 41.796 16.984 -24.827 1.00 0.23 C ATOM 1357 CG2 ILE A 89 41.720 19.226 -25.961 1.00 64.41 C ATOM 1358 CD1 ILE A 89 40.517 17.171 -24.033 1.00 62.23 C ATOM 0 H ILE A 89 45.013 17.360 -24.134 1.00 14.43 H new ATOM 0 HA ILE A 89 43.701 17.589 -26.773 1.00 51.25 H new ATOM 0 HB ILE A 89 42.747 18.779 -24.144 1.00 64.41 H new ATOM 0 HG12 ILE A 89 41.555 16.511 -25.779 1.00 0.23 H new ATOM 0 HG13 ILE A 89 42.451 16.300 -24.287 1.00 0.23 H new ATOM 0 HG21 ILE A 89 40.770 19.426 -25.466 1.00 64.41 H new ATOM 0 HG22 ILE A 89 42.258 20.163 -26.106 1.00 64.41 H new ATOM 0 HG23 ILE A 89 41.534 18.760 -26.929 1.00 64.41 H new ATOM 0 HD11 ILE A 89 40.038 16.204 -23.882 1.00 62.23 H new ATOM 0 HD12 ILE A 89 40.751 17.615 -23.065 1.00 62.23 H new ATOM 0 HD13 ILE A 89 39.842 17.829 -24.580 1.00 62.23 H new ATOM 1370 N ASP A 90 45.136 19.612 -27.062 1.00 34.30 N ATOM 1371 CA ASP A 90 46.028 20.742 -27.238 1.00 21.13 C ATOM 1372 C ASP A 90 45.256 21.933 -27.757 1.00 54.30 C ATOM 1373 O ASP A 90 44.541 21.820 -28.753 1.00 1.13 O ATOM 1374 CB ASP A 90 47.148 20.367 -28.195 1.00 33.21 C ATOM 1375 CG ASP A 90 48.264 21.386 -28.231 1.00 41.43 C ATOM 1376 OD1 ASP A 90 48.938 21.488 -29.276 1.00 53.43 O ATOM 1377 OD2 ASP A 90 48.499 22.055 -27.208 1.00 21.31 O1- ATOM 0 H ASP A 90 44.882 19.130 -27.925 1.00 34.30 H new ATOM 0 HA ASP A 90 46.467 21.010 -26.277 1.00 21.13 H new ATOM 0 HB2 ASP A 90 47.557 19.399 -27.905 1.00 33.21 H new ATOM 0 HB3 ASP A 90 46.737 20.251 -29.198 1.00 33.21 H new ATOM 1382 N ALA A 91 45.368 23.055 -27.063 1.00 30.14 N ATOM 1383 CA ALA A 91 44.633 24.251 -27.438 1.00 22.54 C ATOM 1384 C ALA A 91 45.530 25.292 -28.111 1.00 62.41 C ATOM 1385 O ALA A 91 46.470 25.805 -27.506 1.00 34.40 O ATOM 1386 CB ALA A 91 43.959 24.851 -26.214 1.00 33.33 C ATOM 0 H ALA A 91 45.960 23.162 -26.239 1.00 30.14 H new ATOM 0 HA ALA A 91 43.876 23.957 -28.165 1.00 22.54 H new ATOM 0 HB1 ALA A 91 43.410 25.747 -26.503 1.00 33.33 H new ATOM 0 HB2 ALA A 91 43.268 24.125 -25.786 1.00 33.33 H new ATOM 0 HB3 ALA A 91 44.715 25.112 -25.474 1.00 33.33 H new ATOM 1392 N MET A 92 45.221 25.607 -29.363 1.00 14.35 N ATOM 1393 CA MET A 92 45.880 26.704 -30.069 1.00 13.21 C ATOM 1394 C MET A 92 45.039 27.969 -29.945 1.00 25.02 C ATOM 1395 O MET A 92 43.918 27.919 -29.460 1.00 71.52 O ATOM 1396 CB MET A 92 46.098 26.384 -31.551 1.00 64.53 C ATOM 1397 CG MET A 92 47.156 25.326 -31.819 1.00 30.25 C ATOM 1398 SD MET A 92 46.562 23.652 -31.537 1.00 45.45 S ATOM 1399 CE MET A 92 48.039 22.709 -31.908 1.00 51.31 C ATOM 0 H MET A 92 44.516 25.117 -29.914 1.00 14.35 H new ATOM 0 HA MET A 92 46.858 26.851 -29.611 1.00 13.21 H new ATOM 0 HB2 MET A 92 45.153 26.052 -31.981 1.00 64.53 H new ATOM 0 HB3 MET A 92 46.379 27.300 -32.070 1.00 64.53 H new ATOM 0 HG2 MET A 92 47.498 25.415 -32.850 1.00 30.25 H new ATOM 0 HG3 MET A 92 48.019 25.512 -31.179 1.00 30.25 H new ATOM 0 HE1 MET A 92 47.919 21.687 -31.547 1.00 51.31 H new ATOM 0 HE2 MET A 92 48.202 22.696 -32.986 1.00 51.31 H new ATOM 0 HE3 MET A 92 48.897 23.168 -31.417 1.00 51.31 H new ATOM 1409 N VAL A 93 45.578 29.101 -30.376 1.00 70.32 N ATOM 1410 CA VAL A 93 44.852 30.364 -30.284 1.00 3.20 C ATOM 1411 C VAL A 93 43.576 30.336 -31.129 1.00 75.10 C ATOM 1412 O VAL A 93 43.633 30.183 -32.349 1.00 71.31 O ATOM 1413 CB VAL A 93 45.720 31.560 -30.724 1.00 52.22 C ATOM 1414 CG1 VAL A 93 44.963 32.868 -30.528 1.00 3.43 C ATOM 1415 CG2 VAL A 93 47.037 31.575 -29.962 1.00 10.04 C ATOM 0 H VAL A 93 46.507 29.173 -30.790 1.00 70.32 H new ATOM 0 HA VAL A 93 44.588 30.490 -29.234 1.00 3.20 H new ATOM 0 HB VAL A 93 45.945 31.453 -31.785 1.00 52.22 H new ATOM 0 HG11 VAL A 93 45.590 33.702 -30.843 1.00 3.43 H new ATOM 0 HG12 VAL A 93 44.051 32.854 -31.125 1.00 3.43 H new ATOM 0 HG13 VAL A 93 44.706 32.985 -29.475 1.00 3.43 H new ATOM 0 HG21 VAL A 93 47.635 32.426 -30.287 1.00 10.04 H new ATOM 0 HG22 VAL A 93 46.838 31.658 -28.893 1.00 10.04 H new ATOM 0 HG23 VAL A 93 47.582 30.652 -30.159 1.00 10.04 H new ATOM 1425 N GLN A 94 42.437 30.468 -30.450 1.00 13.31 N ATOM 1426 CA GLN A 94 41.109 30.517 -31.075 1.00 14.42 C ATOM 1427 C GLN A 94 40.807 29.263 -31.885 1.00 61.22 C ATOM 1428 O GLN A 94 40.267 28.294 -31.359 1.00 71.22 O ATOM 1429 CB GLN A 94 40.958 31.760 -31.950 1.00 11.34 C ATOM 1430 CG GLN A 94 41.157 33.066 -31.203 1.00 20.20 C ATOM 1431 CD GLN A 94 41.141 34.265 -32.127 1.00 32.33 C ATOM 1432 OE1 GLN A 94 42.179 34.681 -32.643 1.00 74.30 O ATOM 1433 NE2 GLN A 94 39.963 34.819 -32.351 1.00 24.31 N ATOM 0 H GLN A 94 42.407 30.545 -29.433 1.00 13.31 H new ATOM 0 HA GLN A 94 40.383 30.568 -30.263 1.00 14.42 H new ATOM 0 HB2 GLN A 94 41.678 31.707 -32.767 1.00 11.34 H new ATOM 0 HB3 GLN A 94 39.965 31.758 -32.399 1.00 11.34 H new ATOM 0 HG2 GLN A 94 40.373 33.177 -30.454 1.00 20.20 H new ATOM 0 HG3 GLN A 94 42.106 33.035 -30.668 1.00 20.20 H new ATOM 0 HE21 GLN A 94 39.128 34.442 -31.902 1.00 24.31 H new ATOM 0 HE22 GLN A 94 39.888 35.624 -32.973 1.00 24.31 H new