USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 900 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 81 THR OG1 : rot 141:sc= 1.18 USER MOD Set 1.2: A 146 GLN : amide:sc= 1.12 K(o=2.3,f=-2.3) USER MOD Set 2.1: A 34 MET CE :methyl -140:sc= -1.42 (180deg=-3.15!) USER MOD Set 2.2: A 51 MET CE :methyl -138:sc= -0.295 (180deg=-1.99!) USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= 1.19 (180deg=0.885) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -4.33! C(o=-4.3!,f=-12!) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= -0.0619 (180deg=-0.356) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 160:sc= -0.167 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 140:sc= -1.7! (180deg=-6.05!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0527 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.08) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 113:sc= 0.224 USER MOD Single : A 112 MET CE :methyl -158:sc= -0.818 (180deg=-2.08) USER MOD Single : A 115 LYS NZ :NH3+ -166:sc= 0.992 (180deg=0.551) USER MOD Single : A 126 LYS NZ :NH3+ -167:sc= -0.0364 (180deg=-0.232) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 SER OG : rot 106:sc= -2.18! USER MOD Single : A 142 LYS NZ :NH3+ -126:sc= -0.552 (180deg=-2.16!) USER MOD Single : A 145 GLN : amide:sc=-0.00858 K(o=-0.0086,f=-0.91) USER MOD Single : A 152 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD Single : A 160 SER OG : rot -83:sc= 0.629 USER MOD Single : A 164 THR OG1 : rot 27:sc= -0.389 USER MOD ----------------------------------------------------------------- ATOM 308 N LYS A 25 0.313 -2.459 8.261 1.00 8.70 N ATOM 309 CA LYS A 25 0.503 -3.852 7.947 1.00 8.11 C ATOM 310 C LYS A 25 -0.852 -4.516 7.965 1.00 7.19 C ATOM 311 O LYS A 25 -1.154 -5.327 8.834 1.00 6.94 O ATOM 312 CB LYS A 25 1.443 -4.527 8.948 1.00 8.62 C ATOM 313 CG LYS A 25 2.921 -4.229 8.741 1.00 9.02 C ATOM 314 CD LYS A 25 3.256 -2.790 9.091 1.00 9.74 C ATOM 315 CE LYS A 25 4.735 -2.501 8.941 1.00 10.22 C ATOM 316 NZ LYS A 25 5.017 -1.050 9.063 1.00 10.38 N1+ ATOM 0 HA LYS A 25 0.965 -3.947 6.964 1.00 8.11 H new ATOM 0 HB2 LYS A 25 1.162 -4.216 9.954 1.00 8.62 H new ATOM 0 HB3 LYS A 25 1.294 -5.605 8.894 1.00 8.62 H new ATOM 0 HG2 LYS A 25 3.518 -4.902 9.356 1.00 9.02 H new ATOM 0 HG3 LYS A 25 3.190 -4.423 7.703 1.00 9.02 H new ATOM 0 HD2 LYS A 25 2.688 -2.118 8.447 1.00 9.74 H new ATOM 0 HD3 LYS A 25 2.948 -2.585 10.116 1.00 9.74 H new ATOM 0 HE2 LYS A 25 5.293 -3.047 9.702 1.00 10.22 H new ATOM 0 HE3 LYS A 25 5.081 -2.860 7.972 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 5.606 -0.742 8.263 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 4.122 -0.521 9.057 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 5.521 -0.868 9.954 1.00 10.38 H new ATOM 330 N ARG A 26 -1.667 -4.130 7.005 1.00 6.90 N ATOM 331 CA ARG A 26 -3.057 -4.531 6.953 1.00 6.23 C ATOM 332 C ARG A 26 -3.475 -4.739 5.508 1.00 5.83 C ATOM 333 O ARG A 26 -3.070 -3.993 4.619 1.00 6.27 O ATOM 334 CB ARG A 26 -3.886 -3.454 7.624 1.00 6.68 C ATOM 335 CG ARG A 26 -3.798 -3.514 9.136 1.00 7.16 C ATOM 336 CD ARG A 26 -5.174 -3.553 9.763 1.00 7.38 C ATOM 337 NE ARG A 26 -5.123 -3.646 11.215 1.00 7.54 N ATOM 338 CZ ARG A 26 -5.451 -4.736 11.910 1.00 7.99 C ATOM 339 NH1 ARG A 26 -5.751 -5.873 11.285 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 -5.445 -4.697 13.235 1.00 8.37 N ATOM 0 H ARG A 26 -1.382 -3.526 6.235 1.00 6.90 H new ATOM 0 HA ARG A 26 -3.210 -5.474 7.477 1.00 6.23 H new ATOM 0 HB2 ARG A 26 -3.550 -2.475 7.282 1.00 6.68 H new ATOM 0 HB3 ARG A 26 -4.927 -3.558 7.319 1.00 6.68 H new ATOM 0 HG2 ARG A 26 -3.234 -4.397 9.435 1.00 7.16 H new ATOM 0 HG3 ARG A 26 -3.251 -2.646 9.506 1.00 7.16 H new ATOM 0 HD2 ARG A 26 -5.725 -2.656 9.479 1.00 7.38 H new ATOM 0 HD3 ARG A 26 -5.726 -4.405 9.367 1.00 7.38 H new ATOM 0 HE ARG A 26 -4.816 -2.824 11.735 1.00 7.54 H new ATOM 0 HH11 ARG A 26 -5.731 -5.915 10.266 1.00 8.33 H new ATOM 0 HH12 ARG A 26 -6.001 -6.701 11.825 1.00 8.33 H new ATOM 0 HH21 ARG A 26 -5.190 -3.836 13.719 1.00 8.37 H new ATOM 0 HH22 ARG A 26 -5.695 -5.528 13.771 1.00 8.37 H new ATOM 354 N ILE A 27 -4.296 -5.773 5.301 1.00 5.15 N ATOM 355 CA ILE A 27 -4.523 -6.339 3.977 1.00 4.81 C ATOM 356 C ILE A 27 -4.950 -5.316 2.959 1.00 5.34 C ATOM 357 O ILE A 27 -5.822 -4.474 3.189 1.00 5.76 O ATOM 358 CB ILE A 27 -5.532 -7.525 3.984 1.00 4.32 C ATOM 359 CG1 ILE A 27 -4.850 -8.805 3.547 1.00 4.09 C ATOM 360 CG2 ILE A 27 -6.700 -7.293 3.059 1.00 4.22 C ATOM 361 CD1 ILE A 27 -3.928 -9.348 4.575 1.00 4.18 C ATOM 0 H ILE A 27 -4.817 -6.236 6.045 1.00 5.15 H new ATOM 0 HA ILE A 27 -3.548 -6.724 3.680 1.00 4.81 H new ATOM 0 HB ILE A 27 -5.898 -7.605 5.008 1.00 4.32 H new ATOM 0 HG12 ILE A 27 -5.608 -9.553 3.314 1.00 4.09 H new ATOM 0 HG13 ILE A 27 -4.293 -8.619 2.629 1.00 4.09 H new ATOM 0 HG21 ILE A 27 -7.373 -8.149 3.101 1.00 4.22 H new ATOM 0 HG22 ILE A 27 -7.235 -6.395 3.367 1.00 4.22 H new ATOM 0 HG23 ILE A 27 -6.337 -7.167 2.039 1.00 4.22 H new ATOM 0 HD11 ILE A 27 -3.469 -10.265 4.205 1.00 4.18 H new ATOM 0 HD12 ILE A 27 -3.151 -8.615 4.790 1.00 4.18 H new ATOM 0 HD13 ILE A 27 -4.486 -9.564 5.486 1.00 4.18 H new ATOM 373 N LEU A 28 -4.299 -5.423 1.832 1.00 5.52 N ATOM 374 CA LEU A 28 -4.578 -4.582 0.693 1.00 6.20 C ATOM 375 C LEU A 28 -5.235 -5.407 -0.403 1.00 6.05 C ATOM 376 O LEU A 28 -6.114 -4.925 -1.112 1.00 6.59 O ATOM 377 CB LEU A 28 -3.278 -3.960 0.193 1.00 6.86 C ATOM 378 CG LEU A 28 -3.431 -2.863 -0.866 1.00 7.51 C ATOM 379 CD1 LEU A 28 -4.183 -1.667 -0.303 1.00 8.22 C ATOM 380 CD2 LEU A 28 -2.069 -2.437 -1.395 1.00 7.71 C ATOM 0 H LEU A 28 -3.553 -6.101 1.674 1.00 5.52 H new ATOM 0 HA LEU A 28 -5.261 -3.783 0.981 1.00 6.20 H new ATOM 0 HB2 LEU A 28 -2.744 -3.543 1.047 1.00 6.86 H new ATOM 0 HB3 LEU A 28 -2.652 -4.752 -0.218 1.00 6.86 H new ATOM 0 HG LEU A 28 -4.011 -3.270 -1.694 1.00 7.51 H new ATOM 0 HD11 LEU A 28 -4.279 -0.902 -1.073 1.00 8.22 H new ATOM 0 HD12 LEU A 28 -5.175 -1.981 0.022 1.00 8.22 H new ATOM 0 HD13 LEU A 28 -3.635 -1.260 0.547 1.00 8.22 H new ATOM 0 HD21 LEU A 28 -2.198 -1.657 -2.146 1.00 7.71 H new ATOM 0 HD22 LEU A 28 -1.463 -2.053 -0.574 1.00 7.71 H new ATOM 0 HD23 LEU A 28 -1.569 -3.295 -1.845 1.00 7.71 H new ATOM 392 N TYR A 29 -4.804 -6.662 -0.506 1.00 5.47 N ATOM 393 CA TYR A 29 -5.319 -7.603 -1.495 1.00 5.43 C ATOM 394 C TYR A 29 -4.614 -8.941 -1.320 1.00 4.86 C ATOM 395 O TYR A 29 -3.834 -9.125 -0.382 1.00 4.58 O ATOM 396 CB TYR A 29 -5.092 -7.085 -2.915 1.00 6.20 C ATOM 397 CG TYR A 29 -3.640 -7.102 -3.341 1.00 6.41 C ATOM 398 CD1 TYR A 29 -2.688 -6.327 -2.693 1.00 6.76 C ATOM 399 CD2 TYR A 29 -3.226 -7.892 -4.401 1.00 6.48 C ATOM 400 CE1 TYR A 29 -1.367 -6.341 -3.093 1.00 7.24 C ATOM 401 CE2 TYR A 29 -1.912 -7.913 -4.808 1.00 6.91 C ATOM 402 CZ TYR A 29 -0.965 -7.130 -4.092 1.00 7.33 C ATOM 403 OH TYR A 29 0.332 -7.160 -4.556 1.00 7.99 O ATOM 0 H TYR A 29 -4.083 -7.056 0.099 1.00 5.47 H new ATOM 0 HA TYR A 29 -6.392 -7.720 -1.343 1.00 5.43 H new ATOM 0 HB2 TYR A 29 -5.673 -7.690 -3.611 1.00 6.20 H new ATOM 0 HB3 TYR A 29 -5.471 -6.065 -2.986 1.00 6.20 H new ATOM 0 HD1 TYR A 29 -2.986 -5.703 -1.863 1.00 6.76 H new ATOM 0 HD2 TYR A 29 -3.950 -8.504 -4.919 1.00 6.48 H new ATOM 0 HE1 TYR A 29 -0.651 -5.707 -2.592 1.00 7.24 H new ATOM 0 HE2 TYR A 29 -1.606 -8.511 -5.653 1.00 6.91 H new ATOM 0 HH TYR A 29 0.947 -6.945 -3.823 1.00 7.99 H new ATOM 413 N TRP A 30 -4.901 -9.867 -2.222 1.00 4.95 N ATOM 414 CA TRP A 30 -4.359 -11.215 -2.155 1.00 4.73 C ATOM 415 C TRP A 30 -3.585 -11.555 -3.415 1.00 5.18 C ATOM 416 O TRP A 30 -3.903 -11.083 -4.508 1.00 5.61 O ATOM 417 CB TRP A 30 -5.495 -12.209 -1.974 1.00 4.74 C ATOM 418 CG TRP A 30 -5.799 -12.505 -0.542 1.00 4.48 C ATOM 419 CD1 TRP A 30 -5.467 -13.635 0.140 1.00 4.66 C ATOM 420 CD2 TRP A 30 -6.488 -11.664 0.385 1.00 4.33 C ATOM 421 NE1 TRP A 30 -5.930 -13.554 1.430 1.00 4.65 N ATOM 422 CE2 TRP A 30 -6.559 -12.357 1.603 1.00 4.37 C ATOM 423 CE3 TRP A 30 -7.060 -10.396 0.303 1.00 4.46 C ATOM 424 CZ2 TRP A 30 -7.179 -11.829 2.729 1.00 4.41 C ATOM 425 CZ3 TRP A 30 -7.675 -9.873 1.418 1.00 4.49 C ATOM 426 CH2 TRP A 30 -7.732 -10.587 2.620 1.00 4.40 C ATOM 0 H TRP A 30 -5.515 -9.705 -3.020 1.00 4.95 H new ATOM 0 HA TRP A 30 -3.676 -11.270 -1.307 1.00 4.73 H new ATOM 0 HB2 TRP A 30 -6.391 -11.817 -2.455 1.00 4.74 H new ATOM 0 HB3 TRP A 30 -5.240 -13.138 -2.484 1.00 4.74 H new ATOM 0 HD1 TRP A 30 -4.921 -14.471 -0.272 1.00 4.66 H new ATOM 0 HE1 TRP A 30 -5.821 -14.274 2.144 1.00 4.65 H new ATOM 0 HE3 TRP A 30 -7.022 -9.834 -0.618 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 -7.221 -12.382 3.656 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 -8.123 -8.892 1.364 1.00 4.49 H new ATOM 0 HH2 TRP A 30 -8.222 -10.147 3.476 1.00 4.40 H new ATOM 437 N ARG A 31 -2.562 -12.371 -3.244 1.00 5.31 N ATOM 438 CA ARG A 31 -1.707 -12.789 -4.334 1.00 5.89 C ATOM 439 C ARG A 31 -1.097 -14.149 -4.031 1.00 6.18 C ATOM 440 O ARG A 31 -0.972 -14.532 -2.871 1.00 6.15 O ATOM 441 CB ARG A 31 -0.594 -11.767 -4.552 1.00 6.39 C ATOM 442 CG ARG A 31 0.526 -11.847 -3.529 1.00 6.58 C ATOM 443 CD ARG A 31 1.344 -10.567 -3.507 1.00 7.25 C ATOM 444 NE ARG A 31 1.641 -10.068 -4.852 1.00 7.68 N ATOM 445 CZ ARG A 31 2.628 -9.214 -5.127 1.00 8.49 C ATOM 446 NH1 ARG A 31 3.486 -8.851 -4.181 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 2.762 -8.730 -6.353 1.00 9.06 N ATOM 0 H ARG A 31 -2.301 -12.763 -2.339 1.00 5.31 H new ATOM 0 HA ARG A 31 -2.310 -12.861 -5.239 1.00 5.89 H new ATOM 0 HB2 ARG A 31 -0.174 -11.909 -5.548 1.00 6.39 H new ATOM 0 HB3 ARG A 31 -1.024 -10.766 -4.528 1.00 6.39 H new ATOM 0 HG2 ARG A 31 0.106 -12.030 -2.540 1.00 6.58 H new ATOM 0 HG3 ARG A 31 1.174 -12.692 -3.761 1.00 6.58 H new ATOM 0 HD2 ARG A 31 0.802 -9.802 -2.951 1.00 7.25 H new ATOM 0 HD3 ARG A 31 2.278 -10.746 -2.975 1.00 7.25 H new ATOM 0 HE ARG A 31 1.059 -10.393 -5.624 1.00 7.68 H new ATOM 0 HH11 ARG A 31 3.393 -9.226 -3.237 1.00 8.90 H new ATOM 0 HH12 ARG A 31 4.238 -8.198 -4.398 1.00 8.90 H new ATOM 0 HH21 ARG A 31 2.111 -9.010 -7.086 1.00 9.06 H new ATOM 0 HH22 ARG A 31 3.517 -8.077 -6.564 1.00 9.06 H new ATOM 461 N ASP A 32 -0.706 -14.868 -5.063 1.00 6.64 N ATOM 462 CA ASP A 32 -0.037 -16.145 -4.879 1.00 7.19 C ATOM 463 C ASP A 32 1.468 -15.932 -4.901 1.00 7.82 C ATOM 464 O ASP A 32 1.977 -15.115 -5.666 1.00 8.07 O ATOM 465 CB ASP A 32 -0.431 -17.122 -5.986 1.00 7.56 C ATOM 466 CG ASP A 32 -0.102 -18.558 -5.635 1.00 7.94 C ATOM 467 OD1 ASP A 32 1.081 -18.953 -5.735 1.00 8.10 O ATOM 468 OD2 ASP A 32 -1.028 -19.302 -5.275 1.00 8.31 O1- ATOM 0 H ASP A 32 -0.838 -14.593 -6.036 1.00 6.64 H new ATOM 0 HA ASP A 32 -0.338 -16.566 -3.920 1.00 7.19 H new ATOM 0 HB2 ASP A 32 -1.500 -17.034 -6.180 1.00 7.56 H new ATOM 0 HB3 ASP A 32 0.084 -16.849 -6.907 1.00 7.56 H new ATOM 473 N PRO A 33 2.194 -16.643 -4.030 1.00 8.28 N ATOM 474 CA PRO A 33 3.657 -16.605 -3.997 1.00 9.11 C ATOM 475 C PRO A 33 4.286 -17.079 -5.308 1.00 9.74 C ATOM 476 O PRO A 33 5.475 -16.861 -5.541 1.00 10.41 O ATOM 477 CB PRO A 33 4.035 -17.558 -2.860 1.00 9.60 C ATOM 478 CG PRO A 33 2.793 -17.747 -2.060 1.00 8.98 C ATOM 479 CD PRO A 33 1.637 -17.512 -2.986 1.00 8.23 C ATOM 0 HA PRO A 33 4.019 -15.587 -3.851 1.00 9.11 H new ATOM 0 HB2 PRO A 33 4.397 -18.509 -3.251 1.00 9.60 H new ATOM 0 HB3 PRO A 33 4.834 -17.140 -2.248 1.00 9.60 H new ATOM 0 HG2 PRO A 33 2.753 -18.752 -1.641 1.00 8.98 H new ATOM 0 HG3 PRO A 33 2.764 -17.051 -1.222 1.00 8.98 H new ATOM 0 HD2 PRO A 33 1.262 -18.447 -3.402 1.00 8.23 H new ATOM 0 HD3 PRO A 33 0.803 -17.035 -2.471 1.00 8.23 H new ATOM 487 N MET A 34 3.496 -17.745 -6.150 1.00 9.60 N ATOM 488 CA MET A 34 3.964 -18.160 -7.471 1.00 10.19 C ATOM 489 C MET A 34 3.554 -17.170 -8.545 1.00 9.99 C ATOM 490 O MET A 34 3.940 -17.319 -9.704 1.00 10.53 O ATOM 491 CB MET A 34 3.422 -19.530 -7.875 1.00 10.40 C ATOM 492 CG MET A 34 4.236 -20.711 -7.387 1.00 10.85 C ATOM 493 SD MET A 34 3.435 -21.632 -6.064 1.00 10.55 S ATOM 494 CE MET A 34 3.694 -20.548 -4.675 1.00 10.30 C ATOM 0 H MET A 34 2.533 -18.008 -5.941 1.00 9.60 H new ATOM 0 HA MET A 34 5.050 -18.206 -7.392 1.00 10.19 H new ATOM 0 HB2 MET A 34 2.405 -19.628 -7.496 1.00 10.40 H new ATOM 0 HB3 MET A 34 3.362 -19.574 -8.962 1.00 10.40 H new ATOM 0 HG2 MET A 34 4.426 -21.383 -8.224 1.00 10.85 H new ATOM 0 HG3 MET A 34 5.205 -20.355 -7.037 1.00 10.85 H new ATOM 0 HE1 MET A 34 3.937 -21.139 -3.792 1.00 10.30 H new ATOM 0 HE2 MET A 34 4.517 -19.867 -4.893 1.00 10.30 H new ATOM 0 HE3 MET A 34 2.787 -19.973 -4.488 1.00 10.30 H new ATOM 504 N VAL A 35 2.801 -16.151 -8.170 1.00 9.32 N ATOM 505 CA VAL A 35 2.352 -15.163 -9.145 1.00 9.27 C ATOM 506 C VAL A 35 2.672 -13.705 -8.723 1.00 9.25 C ATOM 507 O VAL A 35 1.901 -12.788 -9.012 1.00 8.98 O ATOM 508 CB VAL A 35 0.838 -15.341 -9.393 1.00 8.70 C ATOM 509 CG1 VAL A 35 0.522 -16.810 -9.633 1.00 8.84 C ATOM 510 CG2 VAL A 35 0.020 -14.792 -8.238 1.00 7.95 C ATOM 0 H VAL A 35 2.489 -15.984 -7.213 1.00 9.32 H new ATOM 0 HA VAL A 35 2.904 -15.338 -10.068 1.00 9.27 H new ATOM 0 HB VAL A 35 0.566 -14.772 -10.282 1.00 8.70 H new ATOM 0 HG11 VAL A 35 -0.547 -16.928 -9.807 1.00 8.84 H new ATOM 0 HG12 VAL A 35 1.073 -17.163 -10.505 1.00 8.84 H new ATOM 0 HG13 VAL A 35 0.814 -17.392 -8.759 1.00 8.84 H new ATOM 0 HG21 VAL A 35 -1.041 -14.933 -8.444 1.00 7.95 H new ATOM 0 HG22 VAL A 35 0.285 -15.319 -7.322 1.00 7.95 H new ATOM 0 HG23 VAL A 35 0.228 -13.729 -8.118 1.00 7.95 H new ATOM 520 N PRO A 36 3.841 -13.448 -8.083 1.00 9.74 N ATOM 521 CA PRO A 36 4.180 -12.119 -7.547 1.00 9.85 C ATOM 522 C PRO A 36 4.246 -11.043 -8.632 1.00 10.22 C ATOM 523 O PRO A 36 5.287 -10.837 -9.264 1.00 10.95 O ATOM 524 CB PRO A 36 5.565 -12.325 -6.924 1.00 10.65 C ATOM 525 CG PRO A 36 6.116 -13.513 -7.623 1.00 11.10 C ATOM 526 CD PRO A 36 4.939 -14.400 -7.869 1.00 10.41 C ATOM 0 HA PRO A 36 3.425 -11.768 -6.844 1.00 9.85 H new ATOM 0 HB2 PRO A 36 6.199 -11.450 -7.069 1.00 10.65 H new ATOM 0 HB3 PRO A 36 5.495 -12.494 -5.849 1.00 10.65 H new ATOM 0 HG2 PRO A 36 6.600 -13.231 -8.558 1.00 11.10 H new ATOM 0 HG3 PRO A 36 6.868 -14.015 -7.014 1.00 11.10 H new ATOM 0 HD2 PRO A 36 5.092 -15.040 -8.738 1.00 10.41 H new ATOM 0 HD3 PRO A 36 4.744 -15.055 -7.020 1.00 10.41 H new ATOM 534 N GLY A 37 3.124 -10.379 -8.859 1.00 9.82 N ATOM 535 CA GLY A 37 3.061 -9.336 -9.864 1.00 10.31 C ATOM 536 C GLY A 37 1.642 -8.872 -10.105 1.00 9.86 C ATOM 537 O GLY A 37 1.406 -7.705 -10.414 1.00 10.21 O ATOM 0 H GLY A 37 2.249 -10.544 -8.362 1.00 9.82 H new ATOM 0 HA2 GLY A 37 3.671 -8.490 -9.548 1.00 10.31 H new ATOM 0 HA3 GLY A 37 3.486 -9.705 -10.797 1.00 10.31 H new ATOM 541 N GLN A 38 0.696 -9.790 -9.951 1.00 9.21 N ATOM 542 CA GLN A 38 -0.718 -9.476 -10.112 1.00 8.88 C ATOM 543 C GLN A 38 -1.256 -8.555 -9.015 1.00 8.38 C ATOM 544 O GLN A 38 -0.529 -8.135 -8.108 1.00 8.00 O ATOM 545 CB GLN A 38 -1.576 -10.732 -10.199 1.00 8.51 C ATOM 546 CG GLN A 38 -1.187 -11.781 -9.198 1.00 8.11 C ATOM 547 CD GLN A 38 -0.950 -11.218 -7.817 1.00 8.18 C ATOM 548 OE1 GLN A 38 0.192 -11.017 -7.393 1.00 8.47 O ATOM 549 NE2 GLN A 38 -2.024 -10.861 -7.147 1.00 8.21 N ATOM 0 H GLN A 38 0.884 -10.764 -9.713 1.00 9.21 H new ATOM 0 HA GLN A 38 -0.786 -8.938 -11.058 1.00 8.88 H new ATOM 0 HB2 GLN A 38 -2.621 -10.462 -10.046 1.00 8.51 H new ATOM 0 HB3 GLN A 38 -1.498 -11.149 -11.203 1.00 8.51 H new ATOM 0 HG2 GLN A 38 -1.972 -12.536 -9.147 1.00 8.11 H new ATOM 0 HG3 GLN A 38 -0.282 -12.284 -9.540 1.00 8.11 H new ATOM 0 HE21 GLN A 38 -2.950 -11.045 -7.532 1.00 8.21 H new ATOM 0 HE22 GLN A 38 -1.931 -10.400 -6.242 1.00 8.21 H new ATOM 558 N ARG A 39 -2.545 -8.274 -9.097 1.00 8.53 N ATOM 559 CA ARG A 39 -3.258 -7.548 -8.073 1.00 8.21 C ATOM 560 C ARG A 39 -4.694 -8.061 -8.016 1.00 8.04 C ATOM 561 O ARG A 39 -5.555 -7.582 -8.750 1.00 8.70 O ATOM 562 CB ARG A 39 -3.250 -6.064 -8.437 1.00 8.96 C ATOM 563 CG ARG A 39 -3.737 -5.142 -7.342 1.00 8.86 C ATOM 564 CD ARG A 39 -2.684 -4.965 -6.268 1.00 9.10 C ATOM 565 NE ARG A 39 -1.459 -4.352 -6.784 1.00 10.02 N ATOM 566 CZ ARG A 39 -0.577 -3.686 -6.038 1.00 10.60 C ATOM 567 NH1 ARG A 39 -0.807 -3.484 -4.747 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 0.529 -3.205 -6.590 1.00 11.51 N ATOM 0 H ARG A 39 -3.128 -8.549 -9.887 1.00 8.53 H new ATOM 0 HA ARG A 39 -2.786 -7.689 -7.101 1.00 8.21 H new ATOM 0 HB2 ARG A 39 -2.235 -5.776 -8.711 1.00 8.96 H new ATOM 0 HB3 ARG A 39 -3.872 -5.917 -9.320 1.00 8.96 H new ATOM 0 HG2 ARG A 39 -3.994 -4.172 -7.767 1.00 8.86 H new ATOM 0 HG3 ARG A 39 -4.647 -5.547 -6.900 1.00 8.86 H new ATOM 0 HD2 ARG A 39 -3.087 -4.346 -5.466 1.00 9.10 H new ATOM 0 HD3 ARG A 39 -2.446 -5.936 -5.833 1.00 9.10 H new ATOM 0 HE ARG A 39 -1.267 -4.440 -7.782 1.00 10.02 H new ATOM 0 HH11 ARG A 39 -1.662 -3.839 -4.320 1.00 10.42 H new ATOM 0 HH12 ARG A 39 -0.128 -2.974 -4.182 1.00 10.42 H new ATOM 0 HH21 ARG A 39 0.705 -3.345 -7.585 1.00 11.51 H new ATOM 0 HH22 ARG A 39 1.204 -2.695 -6.019 1.00 11.51 H new ATOM 582 N PHE A 40 -4.964 -9.055 -7.169 1.00 7.31 N ATOM 583 CA PHE A 40 -6.304 -9.619 -7.128 1.00 7.34 C ATOM 584 C PHE A 40 -7.270 -8.677 -6.442 1.00 7.47 C ATOM 585 O PHE A 40 -6.929 -8.021 -5.459 1.00 7.06 O ATOM 586 CB PHE A 40 -6.317 -10.988 -6.456 1.00 6.76 C ATOM 587 CG PHE A 40 -5.831 -12.076 -7.363 1.00 6.92 C ATOM 588 CD1 PHE A 40 -6.691 -12.681 -8.259 1.00 7.27 C ATOM 589 CD2 PHE A 40 -4.514 -12.501 -7.311 1.00 6.93 C ATOM 590 CE1 PHE A 40 -6.247 -13.695 -9.090 1.00 7.50 C ATOM 591 CE2 PHE A 40 -4.065 -13.512 -8.137 1.00 7.26 C ATOM 592 CZ PHE A 40 -4.928 -14.080 -9.060 1.00 7.49 C ATOM 0 H PHE A 40 -4.294 -9.472 -6.523 1.00 7.31 H new ATOM 0 HA PHE A 40 -6.631 -9.753 -8.159 1.00 7.34 H new ATOM 0 HB2 PHE A 40 -5.692 -10.957 -5.563 1.00 6.76 H new ATOM 0 HB3 PHE A 40 -7.330 -11.219 -6.128 1.00 6.76 H new ATOM 0 HD1 PHE A 40 -7.721 -12.359 -8.312 1.00 7.27 H new ATOM 0 HD2 PHE A 40 -3.830 -12.036 -6.616 1.00 6.93 H new ATOM 0 HE1 PHE A 40 -6.937 -14.184 -9.762 1.00 7.50 H new ATOM 0 HE2 PHE A 40 -3.045 -13.859 -8.064 1.00 7.26 H new ATOM 0 HZ PHE A 40 -4.565 -14.823 -9.754 1.00 7.49 H new ATOM 602 N ASP A 41 -8.476 -8.626 -6.989 1.00 8.18 N ATOM 603 CA ASP A 41 -9.520 -7.718 -6.536 1.00 8.62 C ATOM 604 C ASP A 41 -9.944 -8.048 -5.120 1.00 8.07 C ATOM 605 O ASP A 41 -10.453 -7.188 -4.402 1.00 8.18 O ATOM 606 CB ASP A 41 -10.727 -7.818 -7.470 1.00 9.62 C ATOM 607 CG ASP A 41 -10.419 -7.335 -8.874 1.00 10.23 C ATOM 608 OD1 ASP A 41 -9.891 -8.131 -9.683 1.00 10.61 O ATOM 609 OD2 ASP A 41 -10.709 -6.159 -9.180 1.00 10.48 O1- ATOM 0 H ASP A 41 -8.760 -9.220 -7.768 1.00 8.18 H new ATOM 0 HA ASP A 41 -9.126 -6.702 -6.551 1.00 8.62 H new ATOM 0 HB2 ASP A 41 -11.065 -8.854 -7.512 1.00 9.62 H new ATOM 0 HB3 ASP A 41 -11.549 -7.231 -7.060 1.00 9.62 H new ATOM 614 N LYS A 42 -9.753 -9.303 -4.738 1.00 7.60 N ATOM 615 CA LYS A 42 -10.134 -9.762 -3.418 1.00 7.23 C ATOM 616 C LYS A 42 -9.627 -11.177 -3.164 1.00 6.69 C ATOM 617 O LYS A 42 -9.222 -11.853 -4.112 1.00 6.78 O ATOM 618 CB LYS A 42 -11.660 -9.699 -3.248 1.00 8.14 C ATOM 619 CG LYS A 42 -12.413 -10.420 -4.351 1.00 8.90 C ATOM 620 CD LYS A 42 -13.915 -10.300 -4.179 1.00 9.77 C ATOM 621 CE LYS A 42 -14.654 -11.135 -5.208 1.00 10.52 C ATOM 622 NZ LYS A 42 -14.371 -12.586 -5.049 1.00 10.91 N1+ ATOM 0 H LYS A 42 -9.334 -10.021 -5.329 1.00 7.60 H new ATOM 0 HA LYS A 42 -9.674 -9.101 -2.683 1.00 7.23 H new ATOM 0 HB2 LYS A 42 -11.931 -10.135 -2.287 1.00 8.14 H new ATOM 0 HB3 LYS A 42 -11.974 -8.655 -3.224 1.00 8.14 H new ATOM 0 HG2 LYS A 42 -12.124 -10.008 -5.318 1.00 8.90 H new ATOM 0 HG3 LYS A 42 -12.131 -11.473 -4.356 1.00 8.90 H new ATOM 0 HD2 LYS A 42 -14.196 -10.622 -3.176 1.00 9.77 H new ATOM 0 HD3 LYS A 42 -14.212 -9.256 -4.273 1.00 9.77 H new ATOM 0 HE2 LYS A 42 -15.726 -10.962 -5.115 1.00 10.52 H new ATOM 0 HE3 LYS A 42 -14.366 -10.816 -6.210 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 -15.091 -13.138 -5.558 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 -13.431 -12.801 -5.438 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 -14.393 -12.835 -4.040 1.00 10.91 H new ATOM 636 N PRO A 43 -9.619 -11.632 -1.903 1.00 6.27 N ATOM 637 CA PRO A 43 -9.212 -12.997 -1.528 1.00 6.04 C ATOM 638 C PRO A 43 -9.897 -14.095 -2.360 1.00 6.80 C ATOM 639 O PRO A 43 -10.830 -13.838 -3.132 1.00 7.51 O ATOM 640 CB PRO A 43 -9.630 -13.097 -0.045 1.00 6.00 C ATOM 641 CG PRO A 43 -10.515 -11.915 0.187 1.00 6.35 C ATOM 642 CD PRO A 43 -9.974 -10.853 -0.717 1.00 6.19 C ATOM 0 HA PRO A 43 -8.148 -13.156 -1.705 1.00 6.04 H new ATOM 0 HB2 PRO A 43 -10.157 -14.030 0.155 1.00 6.00 H new ATOM 0 HB3 PRO A 43 -8.761 -13.075 0.613 1.00 6.00 H new ATOM 0 HG2 PRO A 43 -11.554 -12.145 -0.050 1.00 6.35 H new ATOM 0 HG3 PRO A 43 -10.488 -11.599 1.230 1.00 6.35 H new ATOM 0 HD2 PRO A 43 -10.716 -10.085 -0.937 1.00 6.19 H new ATOM 0 HD3 PRO A 43 -9.110 -10.347 -0.285 1.00 6.19 H new ATOM 650 N GLY A 44 -9.419 -15.322 -2.214 1.00 6.81 N ATOM 651 CA GLY A 44 -10.023 -16.433 -2.920 1.00 7.59 C ATOM 652 C GLY A 44 -9.009 -17.463 -3.371 1.00 7.56 C ATOM 653 O GLY A 44 -7.921 -17.566 -2.801 1.00 7.08 O ATOM 0 H GLY A 44 -8.626 -15.568 -1.621 1.00 6.81 H new ATOM 0 HA2 GLY A 44 -10.758 -16.912 -2.273 1.00 7.59 H new ATOM 0 HA3 GLY A 44 -10.562 -16.055 -3.789 1.00 7.59 H new ATOM 657 N LYS A 45 -9.369 -18.222 -4.397 1.00 8.20 N ATOM 658 CA LYS A 45 -8.496 -19.247 -4.943 1.00 8.37 C ATOM 659 C LYS A 45 -7.787 -18.713 -6.178 1.00 8.15 C ATOM 660 O LYS A 45 -8.336 -17.887 -6.910 1.00 8.27 O ATOM 661 CB LYS A 45 -9.309 -20.491 -5.301 1.00 9.30 C ATOM 662 CG LYS A 45 -8.463 -21.697 -5.675 1.00 9.65 C ATOM 663 CD LYS A 45 -8.890 -22.290 -7.001 1.00 10.42 C ATOM 664 CE LYS A 45 -10.372 -22.633 -7.023 1.00 11.07 C ATOM 665 NZ LYS A 45 -10.776 -23.297 -8.288 1.00 11.68 N1+ ATOM 0 H LYS A 45 -10.269 -18.144 -4.870 1.00 8.20 H new ATOM 0 HA LYS A 45 -7.752 -19.518 -4.194 1.00 8.37 H new ATOM 0 HB2 LYS A 45 -9.943 -20.754 -4.454 1.00 9.30 H new ATOM 0 HB3 LYS A 45 -9.971 -20.252 -6.133 1.00 9.30 H new ATOM 0 HG2 LYS A 45 -7.415 -21.404 -5.728 1.00 9.65 H new ATOM 0 HG3 LYS A 45 -8.543 -22.454 -4.895 1.00 9.65 H new ATOM 0 HD2 LYS A 45 -8.670 -21.584 -7.801 1.00 10.42 H new ATOM 0 HD3 LYS A 45 -8.307 -23.189 -7.200 1.00 10.42 H new ATOM 0 HE2 LYS A 45 -10.604 -23.286 -6.182 1.00 11.07 H new ATOM 0 HE3 LYS A 45 -10.956 -21.722 -6.890 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 -11.793 -23.512 -8.258 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 -10.579 -22.665 -9.090 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 -10.239 -24.180 -8.403 1.00 11.68 H new ATOM 679 N SER A 46 -6.574 -19.181 -6.406 1.00 8.03 N ATOM 680 CA SER A 46 -5.785 -18.725 -7.534 1.00 7.98 C ATOM 681 C SER A 46 -6.255 -19.373 -8.841 1.00 8.64 C ATOM 682 O SER A 46 -6.593 -20.556 -8.880 1.00 9.20 O ATOM 683 CB SER A 46 -4.316 -19.048 -7.291 1.00 8.03 C ATOM 684 OG SER A 46 -3.473 -18.359 -8.201 1.00 8.36 O ATOM 0 H SER A 46 -6.113 -19.879 -5.823 1.00 8.03 H new ATOM 0 HA SER A 46 -5.914 -17.647 -7.630 1.00 7.98 H new ATOM 0 HB2 SER A 46 -4.048 -18.778 -6.270 1.00 8.03 H new ATOM 0 HB3 SER A 46 -4.158 -20.122 -7.389 1.00 8.03 H new ATOM 0 HG SER A 46 -2.563 -18.321 -7.839 1.00 8.36 H new ATOM 690 N PRO A 47 -6.306 -18.587 -9.925 1.00 8.70 N ATOM 691 CA PRO A 47 -6.638 -19.093 -11.266 1.00 9.38 C ATOM 692 C PRO A 47 -5.507 -19.923 -11.887 1.00 9.63 C ATOM 693 O PRO A 47 -5.738 -20.744 -12.774 1.00 10.25 O ATOM 694 CB PRO A 47 -6.859 -17.812 -12.072 1.00 9.45 C ATOM 695 CG PRO A 47 -6.024 -16.791 -11.385 1.00 8.81 C ATOM 696 CD PRO A 47 -6.092 -17.131 -9.924 1.00 8.26 C ATOM 0 HA PRO A 47 -7.496 -19.765 -11.245 1.00 9.38 H new ATOM 0 HB2 PRO A 47 -6.555 -17.939 -13.111 1.00 9.45 H new ATOM 0 HB3 PRO A 47 -7.910 -17.525 -12.080 1.00 9.45 H new ATOM 0 HG2 PRO A 47 -4.996 -16.818 -11.746 1.00 8.81 H new ATOM 0 HG3 PRO A 47 -6.402 -15.786 -11.572 1.00 8.81 H new ATOM 0 HD2 PRO A 47 -5.173 -16.860 -9.405 1.00 8.26 H new ATOM 0 HD3 PRO A 47 -6.907 -16.605 -9.426 1.00 8.26 H new ATOM 704 N TYR A 48 -4.284 -19.709 -11.408 1.00 9.26 N ATOM 705 CA TYR A 48 -3.113 -20.361 -11.952 1.00 9.61 C ATOM 706 C TYR A 48 -2.940 -21.713 -11.300 1.00 9.96 C ATOM 707 O TYR A 48 -2.325 -22.628 -11.844 1.00 10.49 O ATOM 708 CB TYR A 48 -1.898 -19.500 -11.639 1.00 9.34 C ATOM 709 CG TYR A 48 -1.938 -18.125 -12.260 1.00 9.17 C ATOM 710 CD1 TYR A 48 -1.611 -17.939 -13.595 1.00 9.63 C ATOM 711 CD2 TYR A 48 -2.311 -17.020 -11.511 1.00 8.69 C ATOM 712 CE1 TYR A 48 -1.653 -16.682 -14.175 1.00 9.70 C ATOM 713 CE2 TYR A 48 -2.357 -15.763 -12.076 1.00 8.75 C ATOM 714 CZ TYR A 48 -1.995 -15.591 -13.396 1.00 9.30 C ATOM 715 OH TYR A 48 -2.076 -14.342 -13.965 1.00 9.57 O ATOM 0 H TYR A 48 -4.085 -19.078 -10.632 1.00 9.26 H new ATOM 0 HA TYR A 48 -3.223 -20.490 -13.029 1.00 9.61 H new ATOM 0 HB2 TYR A 48 -1.809 -19.396 -10.558 1.00 9.34 H new ATOM 0 HB3 TYR A 48 -1.002 -20.016 -11.984 1.00 9.34 H new ATOM 0 HD1 TYR A 48 -1.318 -18.789 -14.193 1.00 9.63 H new ATOM 0 HD2 TYR A 48 -2.569 -17.145 -10.470 1.00 8.69 H new ATOM 0 HE1 TYR A 48 -1.422 -16.555 -15.222 1.00 9.70 H new ATOM 0 HE2 TYR A 48 -2.675 -14.916 -11.487 1.00 8.75 H new ATOM 0 HH TYR A 48 -2.328 -13.687 -13.281 1.00 9.57 H new ATOM 725 N MET A 49 -3.496 -21.806 -10.114 1.00 9.74 N ATOM 726 CA MET A 49 -3.197 -22.884 -9.192 1.00 10.23 C ATOM 727 C MET A 49 -4.314 -23.063 -8.181 1.00 10.20 C ATOM 728 O MET A 49 -4.789 -22.090 -7.601 1.00 9.87 O ATOM 729 CB MET A 49 -1.923 -22.502 -8.475 1.00 10.28 C ATOM 730 CG MET A 49 -1.931 -21.030 -8.141 1.00 10.38 C ATOM 731 SD MET A 49 -0.305 -20.303 -8.076 1.00 10.09 S ATOM 732 CE MET A 49 0.387 -21.002 -9.564 1.00 9.55 C ATOM 0 H MET A 49 -4.174 -21.132 -9.757 1.00 9.74 H new ATOM 0 HA MET A 49 -3.091 -23.825 -9.733 1.00 10.23 H new ATOM 0 HB2 MET A 49 -1.822 -23.088 -7.562 1.00 10.28 H new ATOM 0 HB3 MET A 49 -1.062 -22.735 -9.101 1.00 10.28 H new ATOM 0 HG2 MET A 49 -2.527 -20.501 -8.885 1.00 10.38 H new ATOM 0 HG3 MET A 49 -2.422 -20.887 -7.179 1.00 10.38 H new ATOM 0 HE1 MET A 49 0.987 -20.249 -10.075 1.00 9.55 H new ATOM 0 HE2 MET A 49 1.016 -21.854 -9.307 1.00 9.55 H new ATOM 0 HE3 MET A 49 -0.419 -21.330 -10.221 1.00 9.55 H new ATOM 742 N ASP A 50 -4.721 -24.300 -7.954 1.00 10.69 N ATOM 743 CA ASP A 50 -5.808 -24.578 -7.024 1.00 10.83 C ATOM 744 C ASP A 50 -5.340 -24.504 -5.579 1.00 10.64 C ATOM 745 O ASP A 50 -5.372 -25.485 -4.837 1.00 11.23 O ATOM 746 CB ASP A 50 -6.481 -25.925 -7.314 1.00 11.76 C ATOM 747 CG ASP A 50 -5.493 -27.038 -7.605 1.00 12.21 C ATOM 748 OD1 ASP A 50 -4.925 -27.048 -8.718 1.00 12.54 O ATOM 749 OD2 ASP A 50 -5.300 -27.921 -6.746 1.00 12.33 O1- ATOM 0 H ASP A 50 -4.319 -25.126 -8.397 1.00 10.69 H new ATOM 0 HA ASP A 50 -6.557 -23.800 -7.174 1.00 10.83 H new ATOM 0 HB2 ASP A 50 -7.095 -26.208 -6.459 1.00 11.76 H new ATOM 0 HB3 ASP A 50 -7.152 -25.812 -8.165 1.00 11.76 H new ATOM 754 N MET A 51 -4.922 -23.315 -5.195 1.00 9.87 N ATOM 755 CA MET A 51 -4.566 -23.010 -3.822 1.00 9.64 C ATOM 756 C MET A 51 -5.103 -21.631 -3.488 1.00 8.84 C ATOM 757 O MET A 51 -5.168 -20.760 -4.359 1.00 8.36 O ATOM 758 CB MET A 51 -3.042 -23.068 -3.602 1.00 9.70 C ATOM 759 CG MET A 51 -2.212 -22.273 -4.599 1.00 9.43 C ATOM 760 SD MET A 51 -0.442 -22.404 -4.259 1.00 9.38 S ATOM 761 CE MET A 51 -0.222 -21.126 -3.020 1.00 9.04 C ATOM 0 H MET A 51 -4.819 -22.525 -5.832 1.00 9.87 H new ATOM 0 HA MET A 51 -5.007 -23.758 -3.162 1.00 9.64 H new ATOM 0 HB2 MET A 51 -2.822 -22.704 -2.598 1.00 9.70 H new ATOM 0 HB3 MET A 51 -2.725 -24.110 -3.639 1.00 9.70 H new ATOM 0 HG2 MET A 51 -2.415 -22.632 -5.608 1.00 9.43 H new ATOM 0 HG3 MET A 51 -2.511 -21.225 -4.567 1.00 9.43 H new ATOM 0 HE1 MET A 51 0.696 -20.575 -3.225 1.00 9.04 H new ATOM 0 HE2 MET A 51 -1.070 -20.442 -3.048 1.00 9.04 H new ATOM 0 HE3 MET A 51 -0.158 -21.584 -2.033 1.00 9.04 H new ATOM 771 N PRO A 52 -5.560 -21.432 -2.246 1.00 8.77 N ATOM 772 CA PRO A 52 -6.041 -20.133 -1.799 1.00 8.04 C ATOM 773 C PRO A 52 -4.916 -19.115 -1.797 1.00 7.35 C ATOM 774 O PRO A 52 -3.815 -19.412 -1.327 1.00 7.56 O ATOM 775 CB PRO A 52 -6.548 -20.390 -0.378 1.00 8.35 C ATOM 776 CG PRO A 52 -5.855 -21.634 0.062 1.00 9.16 C ATOM 777 CD PRO A 52 -5.638 -22.450 -1.182 1.00 9.51 C ATOM 0 HA PRO A 52 -6.815 -19.726 -2.450 1.00 8.04 H new ATOM 0 HB2 PRO A 52 -6.314 -19.554 0.281 1.00 8.35 H new ATOM 0 HB3 PRO A 52 -7.631 -20.515 -0.362 1.00 8.35 H new ATOM 0 HG2 PRO A 52 -4.907 -21.402 0.547 1.00 9.16 H new ATOM 0 HG3 PRO A 52 -6.458 -22.181 0.787 1.00 9.16 H new ATOM 0 HD2 PRO A 52 -4.723 -23.040 -1.122 1.00 9.51 H new ATOM 0 HD3 PRO A 52 -6.457 -23.149 -1.353 1.00 9.51 H new ATOM 785 N LEU A 53 -5.183 -17.934 -2.332 1.00 6.71 N ATOM 786 CA LEU A 53 -4.155 -16.914 -2.457 1.00 6.20 C ATOM 787 C LEU A 53 -3.603 -16.532 -1.091 1.00 5.97 C ATOM 788 O LEU A 53 -4.282 -16.667 -0.068 1.00 6.05 O ATOM 789 CB LEU A 53 -4.688 -15.685 -3.199 1.00 5.79 C ATOM 790 CG LEU A 53 -5.143 -15.959 -4.630 1.00 6.23 C ATOM 791 CD1 LEU A 53 -6.028 -14.836 -5.141 1.00 6.10 C ATOM 792 CD2 LEU A 53 -3.934 -16.128 -5.536 1.00 6.57 C ATOM 0 H LEU A 53 -6.100 -17.659 -2.685 1.00 6.71 H new ATOM 0 HA LEU A 53 -3.337 -17.329 -3.046 1.00 6.20 H new ATOM 0 HB2 LEU A 53 -5.526 -15.272 -2.637 1.00 5.79 H new ATOM 0 HB3 LEU A 53 -3.910 -14.922 -3.218 1.00 5.79 H new ATOM 0 HG LEU A 53 -5.725 -16.880 -4.636 1.00 6.23 H new ATOM 0 HD11 LEU A 53 -6.339 -15.054 -6.163 1.00 6.10 H new ATOM 0 HD12 LEU A 53 -6.908 -14.748 -4.504 1.00 6.10 H new ATOM 0 HD13 LEU A 53 -5.472 -13.898 -5.124 1.00 6.10 H new ATOM 0 HD21 LEU A 53 -4.268 -16.323 -6.555 1.00 6.57 H new ATOM 0 HD22 LEU A 53 -3.336 -15.217 -5.518 1.00 6.57 H new ATOM 0 HD23 LEU A 53 -3.331 -16.965 -5.185 1.00 6.57 H new ATOM 804 N ILE A 54 -2.379 -16.053 -1.081 1.00 5.92 N ATOM 805 CA ILE A 54 -1.695 -15.740 0.153 1.00 5.98 C ATOM 806 C ILE A 54 -1.892 -14.279 0.494 1.00 5.33 C ATOM 807 O ILE A 54 -1.784 -13.401 -0.368 1.00 5.16 O ATOM 808 CB ILE A 54 -0.192 -16.071 0.048 1.00 6.77 C ATOM 809 CG1 ILE A 54 -0.009 -17.576 -0.151 1.00 7.56 C ATOM 810 CG2 ILE A 54 0.577 -15.596 1.274 1.00 7.04 C ATOM 811 CD1 ILE A 54 -0.646 -18.415 0.934 1.00 7.89 C ATOM 0 H ILE A 54 -1.833 -15.870 -1.923 1.00 5.92 H new ATOM 0 HA ILE A 54 -2.119 -16.351 0.950 1.00 5.98 H new ATOM 0 HB ILE A 54 0.214 -15.540 -0.813 1.00 6.77 H new ATOM 0 HG12 ILE A 54 -0.433 -17.860 -1.114 1.00 7.56 H new ATOM 0 HG13 ILE A 54 1.057 -17.801 -0.193 1.00 7.56 H new ATOM 0 HG21 ILE A 54 1.632 -15.848 1.162 1.00 7.04 H new ATOM 0 HG22 ILE A 54 0.470 -14.516 1.375 1.00 7.04 H new ATOM 0 HG23 ILE A 54 0.180 -16.084 2.164 1.00 7.04 H new ATOM 0 HD11 ILE A 54 -0.475 -19.471 0.725 1.00 7.89 H new ATOM 0 HD12 ILE A 54 -0.205 -18.160 1.898 1.00 7.89 H new ATOM 0 HD13 ILE A 54 -1.718 -18.220 0.963 1.00 7.89 H new ATOM 823 N PRO A 55 -2.229 -13.998 1.745 1.00 5.13 N ATOM 824 CA PRO A 55 -2.496 -12.652 2.177 1.00 4.65 C ATOM 825 C PRO A 55 -1.240 -11.883 2.578 1.00 5.10 C ATOM 826 O PRO A 55 -0.267 -12.450 3.077 1.00 5.77 O ATOM 827 CB PRO A 55 -3.435 -12.871 3.353 1.00 4.51 C ATOM 828 CG PRO A 55 -2.981 -14.153 3.961 1.00 5.22 C ATOM 829 CD PRO A 55 -2.409 -14.975 2.836 1.00 5.58 C ATOM 0 HA PRO A 55 -2.917 -12.032 1.385 1.00 4.65 H new ATOM 0 HB2 PRO A 55 -3.374 -12.050 4.067 1.00 4.51 H new ATOM 0 HB3 PRO A 55 -4.473 -12.933 3.026 1.00 4.51 H new ATOM 0 HG2 PRO A 55 -2.231 -13.974 4.732 1.00 5.22 H new ATOM 0 HG3 PRO A 55 -3.812 -14.672 4.439 1.00 5.22 H new ATOM 0 HD2 PRO A 55 -1.464 -15.438 3.119 1.00 5.58 H new ATOM 0 HD3 PRO A 55 -3.084 -15.780 2.545 1.00 5.58 H new ATOM 837 N VAL A 56 -1.289 -10.591 2.340 1.00 5.00 N ATOM 838 CA VAL A 56 -0.184 -9.684 2.620 1.00 5.69 C ATOM 839 C VAL A 56 -0.055 -9.382 4.115 1.00 5.96 C ATOM 840 O VAL A 56 -1.014 -9.487 4.854 1.00 5.52 O ATOM 841 CB VAL A 56 -0.395 -8.370 1.865 1.00 5.77 C ATOM 842 CG1 VAL A 56 -0.390 -8.591 0.360 1.00 5.82 C ATOM 843 CG2 VAL A 56 -1.687 -7.757 2.320 1.00 5.28 C ATOM 0 H VAL A 56 -2.106 -10.129 1.941 1.00 5.00 H new ATOM 0 HA VAL A 56 0.733 -10.173 2.291 1.00 5.69 H new ATOM 0 HB VAL A 56 0.427 -7.689 2.085 1.00 5.77 H new ATOM 0 HG11 VAL A 56 -0.542 -7.639 -0.148 1.00 5.82 H new ATOM 0 HG12 VAL A 56 0.568 -9.015 0.058 1.00 5.82 H new ATOM 0 HG13 VAL A 56 -1.192 -9.278 0.091 1.00 5.82 H new ATOM 0 HG21 VAL A 56 -1.851 -6.819 1.790 1.00 5.28 H new ATOM 0 HG22 VAL A 56 -2.509 -8.441 2.109 1.00 5.28 H new ATOM 0 HG23 VAL A 56 -1.641 -7.565 3.392 1.00 5.28 H new ATOM 853 N TYR A 57 1.150 -8.971 4.478 1.00 6.83 N ATOM 854 CA TYR A 57 1.602 -8.613 5.847 1.00 7.44 C ATOM 855 C TYR A 57 0.668 -9.041 6.983 1.00 7.10 C ATOM 856 O TYR A 57 0.933 -10.032 7.661 1.00 7.48 O ATOM 857 CB TYR A 57 1.866 -7.104 5.911 1.00 7.84 C ATOM 858 CG TYR A 57 1.259 -6.339 4.754 1.00 7.40 C ATOM 859 CD1 TYR A 57 -0.034 -5.838 4.833 1.00 6.79 C ATOM 860 CD2 TYR A 57 1.974 -6.116 3.592 1.00 7.77 C ATOM 861 CE1 TYR A 57 -0.592 -5.137 3.783 1.00 6.66 C ATOM 862 CE2 TYR A 57 1.430 -5.414 2.543 1.00 7.62 C ATOM 863 CZ TYR A 57 0.144 -4.950 2.624 1.00 7.11 C ATOM 864 OH TYR A 57 -0.406 -4.223 1.595 1.00 7.23 O ATOM 0 H TYR A 57 1.899 -8.866 3.793 1.00 6.83 H new ATOM 0 HA TYR A 57 2.515 -9.184 6.017 1.00 7.44 H new ATOM 0 HB2 TYR A 57 1.466 -6.712 6.846 1.00 7.84 H new ATOM 0 HB3 TYR A 57 2.942 -6.931 5.927 1.00 7.84 H new ATOM 0 HD1 TYR A 57 -0.612 -6.000 5.731 1.00 6.79 H new ATOM 0 HD2 TYR A 57 2.980 -6.501 3.507 1.00 7.77 H new ATOM 0 HE1 TYR A 57 -1.592 -4.738 3.864 1.00 6.66 H new ATOM 0 HE2 TYR A 57 2.016 -5.228 1.655 1.00 7.62 H new ATOM 0 HH TYR A 57 0.230 -4.177 0.850 1.00 7.23 H new ATOM 874 N GLU A 58 -0.377 -8.249 7.208 1.00 6.59 N ATOM 875 CA GLU A 58 -1.435 -8.547 8.174 1.00 6.41 C ATOM 876 C GLU A 58 -1.796 -10.039 8.130 1.00 6.15 C ATOM 877 O GLU A 58 -1.872 -10.705 9.167 1.00 6.62 O ATOM 878 CB GLU A 58 -2.647 -7.677 7.794 1.00 5.89 C ATOM 879 CG GLU A 58 -3.902 -8.456 7.506 1.00 5.18 C ATOM 880 CD GLU A 58 -4.737 -8.656 8.742 1.00 5.25 C ATOM 881 OE1 GLU A 58 -5.444 -7.709 9.142 1.00 5.25 O ATOM 882 OE2 GLU A 58 -4.686 -9.751 9.325 1.00 5.61 O1- ATOM 0 H GLU A 58 -0.516 -7.366 6.716 1.00 6.59 H new ATOM 0 HA GLU A 58 -1.110 -8.327 9.191 1.00 6.41 H new ATOM 0 HB2 GLU A 58 -2.846 -6.977 8.606 1.00 5.89 H new ATOM 0 HB3 GLU A 58 -2.392 -7.083 6.916 1.00 5.89 H new ATOM 0 HG2 GLU A 58 -4.489 -7.931 6.752 1.00 5.18 H new ATOM 0 HG3 GLU A 58 -3.638 -9.426 7.086 1.00 5.18 H new ATOM 889 N GLU A 59 -2.004 -10.534 6.927 1.00 5.59 N ATOM 890 CA GLU A 59 -2.283 -11.929 6.658 1.00 5.52 C ATOM 891 C GLU A 59 -3.656 -12.368 7.149 1.00 5.43 C ATOM 892 O GLU A 59 -3.806 -12.892 8.263 1.00 6.06 O ATOM 893 CB GLU A 59 -1.202 -12.859 7.207 1.00 6.40 C ATOM 894 CG GLU A 59 0.106 -12.782 6.446 1.00 6.94 C ATOM 895 CD GLU A 59 1.022 -13.940 6.767 1.00 7.89 C ATOM 896 OE1 GLU A 59 0.906 -14.988 6.102 1.00 8.12 O ATOM 897 OE2 GLU A 59 1.867 -13.807 7.676 1.00 8.58 O1- ATOM 0 H GLU A 59 -1.983 -9.959 6.085 1.00 5.59 H new ATOM 0 HA GLU A 59 -2.281 -12.012 5.571 1.00 5.52 H new ATOM 0 HB2 GLU A 59 -1.019 -12.613 8.253 1.00 6.40 H new ATOM 0 HB3 GLU A 59 -1.569 -13.885 7.180 1.00 6.40 H new ATOM 0 HG2 GLU A 59 -0.099 -12.769 5.375 1.00 6.94 H new ATOM 0 HG3 GLU A 59 0.609 -11.845 6.686 1.00 6.94 H new ATOM 1187 N ARG A 80 1.826 3.597 -5.046 1.00 8.26 N ATOM 1188 CA ARG A 80 3.027 2.831 -5.329 1.00 8.04 C ATOM 1189 C ARG A 80 4.173 3.236 -4.425 1.00 7.16 C ATOM 1190 O ARG A 80 4.700 4.350 -4.506 1.00 6.61 O ATOM 1191 CB ARG A 80 3.407 2.954 -6.798 1.00 8.39 C ATOM 1192 CG ARG A 80 2.460 2.191 -7.701 1.00 8.96 C ATOM 1193 CD ARG A 80 2.743 2.438 -9.171 1.00 9.63 C ATOM 1194 NE ARG A 80 1.841 1.667 -10.022 1.00 10.25 N ATOM 1195 CZ ARG A 80 1.081 2.188 -10.983 1.00 10.94 C ATOM 1196 NH1 ARG A 80 1.128 3.486 -11.254 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 0.274 1.406 -11.681 1.00 11.64 N ATOM 0 HA ARG A 80 2.812 1.783 -5.121 1.00 8.04 H new ATOM 0 HB2 ARG A 80 3.410 4.006 -7.084 1.00 8.39 H new ATOM 0 HB3 ARG A 80 4.421 2.582 -6.941 1.00 8.39 H new ATOM 0 HG2 ARG A 80 2.542 1.124 -7.492 1.00 8.96 H new ATOM 0 HG3 ARG A 80 1.434 2.482 -7.477 1.00 8.96 H new ATOM 0 HD2 ARG A 80 2.635 3.500 -9.391 1.00 9.63 H new ATOM 0 HD3 ARG A 80 3.776 2.170 -9.395 1.00 9.63 H new ATOM 0 HE ARG A 80 1.790 0.660 -9.870 1.00 10.25 H new ATOM 0 HH11 ARG A 80 1.751 4.095 -10.724 1.00 11.11 H new ATOM 0 HH12 ARG A 80 0.541 3.874 -11.992 1.00 11.11 H new ATOM 0 HH21 ARG A 80 0.235 0.406 -11.482 1.00 11.64 H new ATOM 0 HH22 ARG A 80 -0.309 1.803 -12.418 1.00 11.64 H new ATOM 1211 N THR A 81 4.567 2.295 -3.588 1.00 7.24 N ATOM 1212 CA THR A 81 5.525 2.536 -2.532 1.00 6.59 C ATOM 1213 C THR A 81 6.579 1.441 -2.502 1.00 6.82 C ATOM 1214 O THR A 81 6.493 0.455 -3.234 1.00 7.73 O ATOM 1215 CB THR A 81 4.818 2.570 -1.161 1.00 6.98 C ATOM 1216 OG1 THR A 81 4.013 1.393 -1.005 1.00 8.00 O ATOM 1217 CG2 THR A 81 3.941 3.805 -1.017 1.00 7.05 C ATOM 0 H THR A 81 4.227 1.334 -3.624 1.00 7.24 H new ATOM 0 HA THR A 81 6.000 3.497 -2.730 1.00 6.59 H new ATOM 0 HB THR A 81 5.585 2.605 -0.387 1.00 6.98 H new ATOM 0 HG1 THR A 81 4.080 1.071 -0.082 1.00 8.00 H new ATOM 0 HG21 THR A 81 3.458 3.797 -0.040 1.00 7.05 H new ATOM 0 HG22 THR A 81 4.555 4.700 -1.111 1.00 7.05 H new ATOM 0 HG23 THR A 81 3.180 3.804 -1.797 1.00 7.05 H new ATOM 1225 N ALA A 82 7.576 1.640 -1.663 1.00 6.18 N ATOM 1226 CA ALA A 82 8.565 0.623 -1.386 1.00 6.65 C ATOM 1227 C ALA A 82 8.888 0.632 0.099 1.00 6.65 C ATOM 1228 O ALA A 82 9.171 1.683 0.673 1.00 5.88 O ATOM 1229 CB ALA A 82 9.816 0.852 -2.217 1.00 6.36 C ATOM 0 H ALA A 82 7.721 2.512 -1.155 1.00 6.18 H new ATOM 0 HA ALA A 82 8.165 -0.354 -1.657 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.548 0.076 -1.994 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.561 0.816 -3.276 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.238 1.828 -1.978 1.00 6.36 H new ATOM 1235 N GLU A 83 8.806 -0.532 0.719 1.00 7.70 N ATOM 1236 CA GLU A 83 9.041 -0.660 2.142 1.00 8.10 C ATOM 1237 C GLU A 83 10.533 -0.795 2.415 1.00 7.90 C ATOM 1238 O GLU A 83 11.239 -1.525 1.719 1.00 8.21 O ATOM 1239 CB GLU A 83 8.261 -1.859 2.697 1.00 9.47 C ATOM 1240 CG GLU A 83 8.159 -1.897 4.212 1.00 10.14 C ATOM 1241 CD GLU A 83 7.239 -3.002 4.697 1.00 11.52 C ATOM 1242 OE1 GLU A 83 6.012 -2.782 4.744 1.00 12.15 O ATOM 1243 OE2 GLU A 83 7.741 -4.090 5.047 1.00 12.06 O1- ATOM 0 H GLU A 83 8.576 -1.409 0.252 1.00 7.70 H new ATOM 0 HA GLU A 83 8.686 0.237 2.649 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.255 -1.847 2.278 1.00 9.47 H new ATOM 0 HB3 GLU A 83 8.738 -2.777 2.354 1.00 9.47 H new ATOM 0 HG2 GLU A 83 9.152 -2.040 4.638 1.00 10.14 H new ATOM 0 HG3 GLU A 83 7.793 -0.936 4.574 1.00 10.14 H new ATOM 1250 N VAL A 84 10.999 -0.073 3.415 1.00 7.58 N ATOM 1251 CA VAL A 84 12.406 -0.031 3.770 1.00 7.50 C ATOM 1252 C VAL A 84 12.946 -1.392 4.159 1.00 8.74 C ATOM 1253 O VAL A 84 12.354 -2.109 4.971 1.00 9.71 O ATOM 1254 CB VAL A 84 12.653 0.971 4.913 1.00 7.28 C ATOM 1255 CG1 VAL A 84 14.062 0.837 5.460 1.00 7.49 C ATOM 1256 CG2 VAL A 84 12.407 2.389 4.428 1.00 6.28 C ATOM 0 H VAL A 84 10.407 0.507 4.010 1.00 7.58 H new ATOM 0 HA VAL A 84 12.941 0.296 2.878 1.00 7.50 H new ATOM 0 HB VAL A 84 11.955 0.747 5.720 1.00 7.28 H new ATOM 0 HG11 VAL A 84 14.209 1.556 6.266 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.209 -0.173 5.843 1.00 7.49 H new ATOM 0 HG13 VAL A 84 14.781 1.031 4.664 1.00 7.49 H new ATOM 0 HG21 VAL A 84 12.585 3.089 5.245 1.00 6.28 H new ATOM 0 HG22 VAL A 84 13.084 2.614 3.604 1.00 6.28 H new ATOM 0 HG23 VAL A 84 11.376 2.483 4.087 1.00 6.28 H new ATOM 1266 N LYS A 85 14.088 -1.725 3.570 1.00 8.82 N ATOM 1267 CA LYS A 85 14.743 -3.002 3.790 1.00 10.03 C ATOM 1268 C LYS A 85 16.234 -2.789 3.921 1.00 10.02 C ATOM 1269 O LYS A 85 16.788 -1.895 3.295 1.00 9.25 O ATOM 1270 CB LYS A 85 14.487 -3.943 2.611 1.00 10.75 C ATOM 1271 CG LYS A 85 13.022 -4.101 2.272 1.00 10.58 C ATOM 1272 CD LYS A 85 12.269 -4.778 3.396 1.00 11.03 C ATOM 1273 CE LYS A 85 10.795 -4.444 3.335 1.00 10.50 C ATOM 1274 NZ LYS A 85 10.028 -5.168 4.381 1.00 11.02 N1+ ATOM 0 H LYS A 85 14.585 -1.112 2.924 1.00 8.82 H new ATOM 0 HA LYS A 85 14.342 -3.444 4.702 1.00 10.03 H new ATOM 0 HB2 LYS A 85 15.016 -3.567 1.735 1.00 10.75 H new ATOM 0 HB3 LYS A 85 14.906 -4.923 2.841 1.00 10.75 H new ATOM 0 HG2 LYS A 85 12.584 -3.122 2.075 1.00 10.58 H new ATOM 0 HG3 LYS A 85 12.919 -4.686 1.358 1.00 10.58 H new ATOM 0 HD2 LYS A 85 12.404 -5.858 3.332 1.00 11.03 H new ATOM 0 HD3 LYS A 85 12.678 -4.462 4.356 1.00 11.03 H new ATOM 0 HE2 LYS A 85 10.659 -3.370 3.461 1.00 10.50 H new ATOM 0 HE3 LYS A 85 10.403 -4.702 2.351 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 9.041 -4.840 4.377 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 10.055 -6.189 4.187 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 10.451 -4.982 5.313 1.00 11.02 H new ATOM 1288 N LEU A 86 16.874 -3.586 4.743 1.00 10.96 N ATOM 1289 CA LEU A 86 18.329 -3.586 4.791 1.00 11.21 C ATOM 1290 C LEU A 86 18.895 -4.375 3.613 1.00 11.85 C ATOM 1291 O LEU A 86 18.178 -5.166 2.994 1.00 12.43 O ATOM 1292 CB LEU A 86 18.861 -4.139 6.113 1.00 12.08 C ATOM 1293 CG LEU A 86 18.951 -3.132 7.261 1.00 11.90 C ATOM 1294 CD1 LEU A 86 17.589 -2.909 7.898 1.00 11.97 C ATOM 1295 CD2 LEU A 86 19.969 -3.598 8.291 1.00 12.76 C ATOM 0 H LEU A 86 16.423 -4.239 5.384 1.00 10.96 H new ATOM 0 HA LEU A 86 18.660 -2.550 4.720 1.00 11.21 H new ATOM 0 HB2 LEU A 86 18.220 -4.963 6.426 1.00 12.08 H new ATOM 0 HB3 LEU A 86 19.853 -4.555 5.939 1.00 12.08 H new ATOM 0 HG LEU A 86 19.285 -2.176 6.857 1.00 11.90 H new ATOM 0 HD11 LEU A 86 17.681 -2.189 8.711 1.00 11.97 H new ATOM 0 HD12 LEU A 86 16.896 -2.525 7.150 1.00 11.97 H new ATOM 0 HD13 LEU A 86 17.212 -3.853 8.291 1.00 11.97 H new ATOM 0 HD21 LEU A 86 20.024 -2.873 9.103 1.00 12.76 H new ATOM 0 HD22 LEU A 86 19.666 -4.566 8.689 1.00 12.76 H new ATOM 0 HD23 LEU A 86 20.948 -3.689 7.820 1.00 12.76 H new ATOM 1307 N GLY A 87 20.175 -4.197 3.314 1.00 11.89 N ATOM 1308 CA GLY A 87 20.746 -4.865 2.153 1.00 12.65 C ATOM 1309 C GLY A 87 22.180 -5.311 2.350 1.00 12.97 C ATOM 1310 O GLY A 87 22.548 -6.443 2.017 1.00 13.25 O ATOM 0 H GLY A 87 20.822 -3.612 3.843 1.00 11.89 H new ATOM 0 HA2 GLY A 87 20.135 -5.734 1.908 1.00 12.65 H new ATOM 0 HA3 GLY A 87 20.699 -4.191 1.298 1.00 12.65 H new ATOM 1389 N GLU A 93 25.545 -1.296 7.542 1.00 12.87 N ATOM 1390 CA GLU A 93 24.281 -1.532 6.911 1.00 12.37 C ATOM 1391 C GLU A 93 23.468 -0.282 6.751 1.00 11.13 C ATOM 1392 O GLU A 93 23.674 0.725 7.434 1.00 10.78 O ATOM 1393 CB GLU A 93 23.505 -2.591 7.652 1.00 13.03 C ATOM 1394 CG GLU A 93 23.457 -3.897 6.899 1.00 13.80 C ATOM 1395 CD GLU A 93 22.315 -3.973 5.913 1.00 14.57 C ATOM 1396 OE1 GLU A 93 22.106 -3.004 5.147 1.00 14.94 O ATOM 1397 OE2 GLU A 93 21.632 -5.015 5.885 1.00 14.92 O1- ATOM 0 HA GLU A 93 24.494 -1.893 5.905 1.00 12.37 H new ATOM 0 HB2 GLU A 93 23.959 -2.754 8.629 1.00 13.03 H new ATOM 0 HB3 GLU A 93 22.489 -2.238 7.828 1.00 13.03 H new ATOM 0 HG2 GLU A 93 24.398 -4.037 6.367 1.00 13.80 H new ATOM 0 HG3 GLU A 93 23.369 -4.717 7.612 1.00 13.80 H new ATOM 1404 N ARG A 94 22.531 -0.374 5.850 1.00 10.57 N ATOM 1405 CA ARG A 94 21.759 0.771 5.445 1.00 9.39 C ATOM 1406 C ARG A 94 20.344 0.373 5.075 1.00 8.96 C ATOM 1407 O ARG A 94 19.990 -0.805 5.080 1.00 9.64 O ATOM 1408 CB ARG A 94 22.418 1.457 4.258 1.00 9.13 C ATOM 1409 CG ARG A 94 22.834 2.880 4.562 1.00 9.07 C ATOM 1410 CD ARG A 94 24.266 2.964 5.067 1.00 9.14 C ATOM 1411 NE ARG A 94 25.217 2.636 4.006 1.00 9.49 N ATOM 1412 CZ ARG A 94 26.491 3.020 3.999 1.00 9.84 C ATOM 1413 NH1 ARG A 94 26.991 3.707 5.020 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 27.266 2.709 2.970 1.00 10.27 N ATOM 0 H ARG A 94 22.280 -1.241 5.376 1.00 10.57 H new ATOM 0 HA ARG A 94 21.718 1.460 6.288 1.00 9.39 H new ATOM 0 HB2 ARG A 94 23.294 0.884 3.953 1.00 9.13 H new ATOM 0 HB3 ARG A 94 21.728 1.457 3.415 1.00 9.13 H new ATOM 0 HG2 ARG A 94 22.732 3.487 3.662 1.00 9.07 H new ATOM 0 HG3 ARG A 94 22.162 3.302 5.309 1.00 9.07 H new ATOM 0 HD2 ARG A 94 24.465 3.968 5.441 1.00 9.14 H new ATOM 0 HD3 ARG A 94 24.400 2.280 5.905 1.00 9.14 H new ATOM 0 HE ARG A 94 24.882 2.077 3.221 1.00 9.49 H new ATOM 0 HH11 ARG A 94 26.398 3.943 5.815 1.00 9.96 H new ATOM 0 HH12 ARG A 94 27.968 3.998 5.009 1.00 9.96 H new ATOM 0 HH21 ARG A 94 26.885 2.177 2.187 1.00 10.27 H new ATOM 0 HH22 ARG A 94 28.243 3.001 2.961 1.00 10.27 H new ATOM 1428 N LEU A 95 19.538 1.375 4.782 1.00 7.97 N ATOM 1429 CA LEU A 95 18.168 1.168 4.358 1.00 7.54 C ATOM 1430 C LEU A 95 18.088 1.310 2.841 1.00 6.99 C ATOM 1431 O LEU A 95 18.283 2.397 2.296 1.00 6.27 O ATOM 1432 CB LEU A 95 17.256 2.207 5.025 1.00 6.93 C ATOM 1433 CG LEU A 95 17.188 2.176 6.565 1.00 7.79 C ATOM 1434 CD1 LEU A 95 17.095 0.747 7.079 1.00 8.88 C ATOM 1435 CD2 LEU A 95 18.373 2.897 7.188 1.00 7.89 C ATOM 0 H LEU A 95 19.815 2.355 4.831 1.00 7.97 H new ATOM 0 HA LEU A 95 17.841 0.170 4.650 1.00 7.54 H new ATOM 0 HB2 LEU A 95 17.588 3.199 4.718 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.246 2.074 4.636 1.00 6.93 H new ATOM 0 HG LEU A 95 16.283 2.704 6.863 1.00 7.79 H new ATOM 0 HD11 LEU A 95 17.048 0.754 8.168 1.00 8.88 H new ATOM 0 HD12 LEU A 95 16.197 0.275 6.681 1.00 8.88 H new ATOM 0 HD13 LEU A 95 17.973 0.187 6.757 1.00 8.88 H new ATOM 0 HD21 LEU A 95 18.294 2.856 8.274 1.00 7.89 H new ATOM 0 HD22 LEU A 95 19.299 2.415 6.873 1.00 7.89 H new ATOM 0 HD23 LEU A 95 18.377 3.938 6.863 1.00 7.89 H new ATOM 1447 N LEU A 96 17.797 0.202 2.176 1.00 7.59 N ATOM 1448 CA LEU A 96 17.758 0.151 0.723 1.00 7.52 C ATOM 1449 C LEU A 96 16.384 0.534 0.210 1.00 6.76 C ATOM 1450 O LEU A 96 15.369 -0.005 0.654 1.00 6.96 O ATOM 1451 CB LEU A 96 18.114 -1.256 0.217 1.00 8.83 C ATOM 1452 CG LEU A 96 19.606 -1.553 0.024 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.205 -0.638 -1.033 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.366 -1.431 1.337 1.00 9.78 C ATOM 0 H LEU A 96 17.581 -0.686 2.628 1.00 7.59 H new ATOM 0 HA LEU A 96 18.493 0.863 0.347 1.00 7.52 H new ATOM 0 HB2 LEU A 96 17.709 -1.984 0.919 1.00 8.83 H new ATOM 0 HB3 LEU A 96 17.608 -1.415 -0.735 1.00 8.83 H new ATOM 0 HG LEU A 96 19.700 -2.583 -0.321 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.264 -0.866 -1.154 1.00 9.37 H new ATOM 0 HD12 LEU A 96 19.690 -0.792 -1.981 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.091 0.401 -0.722 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.421 -1.647 1.168 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.261 -0.418 1.725 1.00 9.78 H new ATOM 0 HD23 LEU A 96 19.961 -2.140 2.059 1.00 9.78 H new ATOM 1466 N VAL A 97 16.379 1.443 -0.745 1.00 6.13 N ATOM 1467 CA VAL A 97 15.163 1.944 -1.360 1.00 5.45 C ATOM 1468 C VAL A 97 15.424 2.173 -2.839 1.00 5.86 C ATOM 1469 O VAL A 97 16.572 2.313 -3.243 1.00 6.40 O ATOM 1470 CB VAL A 97 14.715 3.281 -0.721 1.00 4.23 C ATOM 1471 CG1 VAL A 97 14.302 3.089 0.733 1.00 4.19 C ATOM 1472 CG2 VAL A 97 15.825 4.311 -0.831 1.00 4.01 C ATOM 0 H VAL A 97 17.230 1.861 -1.121 1.00 6.13 H new ATOM 0 HA VAL A 97 14.372 1.209 -1.209 1.00 5.45 H new ATOM 0 HB VAL A 97 13.843 3.643 -1.266 1.00 4.23 H new ATOM 0 HG11 VAL A 97 13.993 4.046 1.153 1.00 4.19 H new ATOM 0 HG12 VAL A 97 13.472 2.385 0.785 1.00 4.19 H new ATOM 0 HG13 VAL A 97 15.146 2.699 1.302 1.00 4.19 H new ATOM 0 HG21 VAL A 97 15.499 5.247 -0.378 1.00 4.01 H new ATOM 0 HG22 VAL A 97 16.712 3.947 -0.312 1.00 4.01 H new ATOM 0 HG23 VAL A 97 16.062 4.479 -1.881 1.00 4.01 H new ATOM 1482 N PRO A 98 14.385 2.196 -3.677 1.00 5.92 N ATOM 1483 CA PRO A 98 14.557 2.528 -5.086 1.00 6.55 C ATOM 1484 C PRO A 98 15.096 3.948 -5.224 1.00 6.22 C ATOM 1485 O PRO A 98 14.600 4.859 -4.564 1.00 5.29 O ATOM 1486 CB PRO A 98 13.149 2.399 -5.680 1.00 6.53 C ATOM 1487 CG PRO A 98 12.214 2.405 -4.520 1.00 6.39 C ATOM 1488 CD PRO A 98 12.987 1.924 -3.323 1.00 5.71 C ATOM 0 HA PRO A 98 15.270 1.881 -5.597 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.934 3.224 -6.359 1.00 6.53 H new ATOM 0 HB3 PRO A 98 13.051 1.479 -6.256 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.822 3.407 -4.347 1.00 6.39 H new ATOM 0 HG3 PRO A 98 11.359 1.757 -4.712 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.693 2.455 -2.417 1.00 5.71 H new ATOM 0 HD3 PRO A 98 12.820 0.863 -3.139 1.00 5.71 H new ATOM 1496 N SER A 99 16.119 4.135 -6.050 1.00 7.21 N ATOM 1497 CA SER A 99 16.795 5.431 -6.159 1.00 7.37 C ATOM 1498 C SER A 99 15.827 6.571 -6.513 1.00 7.21 C ATOM 1499 O SER A 99 16.108 7.740 -6.236 1.00 7.21 O ATOM 1500 CB SER A 99 17.923 5.350 -7.194 1.00 8.73 C ATOM 1501 OG SER A 99 18.674 6.552 -7.242 1.00 9.29 O ATOM 0 H SER A 99 16.501 3.409 -6.655 1.00 7.21 H new ATOM 0 HA SER A 99 17.214 5.661 -5.179 1.00 7.37 H new ATOM 0 HB2 SER A 99 18.583 4.517 -6.950 1.00 8.73 H new ATOM 0 HB3 SER A 99 17.501 5.144 -8.178 1.00 8.73 H new ATOM 0 HG SER A 99 19.386 6.467 -7.910 1.00 9.29 H new ATOM 1507 N GLU A 100 14.678 6.243 -7.100 1.00 7.31 N ATOM 1508 CA GLU A 100 13.704 7.264 -7.472 1.00 7.41 C ATOM 1509 C GLU A 100 12.714 7.534 -6.338 1.00 6.33 C ATOM 1510 O GLU A 100 11.770 8.304 -6.512 1.00 6.56 O ATOM 1511 CB GLU A 100 12.939 6.853 -8.728 1.00 8.22 C ATOM 1512 CG GLU A 100 13.834 6.531 -9.911 1.00 9.47 C ATOM 1513 CD GLU A 100 13.040 6.136 -11.134 1.00 10.34 C ATOM 1514 OE1 GLU A 100 12.617 7.032 -11.887 1.00 10.65 O1- ATOM 1515 OE2 GLU A 100 12.828 4.925 -11.347 1.00 10.86 O ATOM 0 H GLU A 100 14.401 5.288 -7.326 1.00 7.31 H new ATOM 0 HA GLU A 100 14.260 8.180 -7.673 1.00 7.41 H new ATOM 0 HB2 GLU A 100 12.326 5.981 -8.500 1.00 8.22 H new ATOM 0 HB3 GLU A 100 12.258 7.657 -9.007 1.00 8.22 H new ATOM 0 HG2 GLU A 100 14.451 7.399 -10.145 1.00 9.47 H new ATOM 0 HG3 GLU A 100 14.512 5.721 -9.642 1.00 9.47 H new ATOM 1522 N ALA A 101 12.918 6.914 -5.189 1.00 5.34 N ATOM 1523 CA ALA A 101 12.023 7.129 -4.060 1.00 4.45 C ATOM 1524 C ALA A 101 12.369 8.420 -3.344 1.00 4.45 C ATOM 1525 O ALA A 101 11.486 9.195 -2.962 1.00 4.62 O ATOM 1526 CB ALA A 101 12.099 5.965 -3.085 1.00 3.75 C ATOM 0 H ALA A 101 13.685 6.265 -5.011 1.00 5.34 H new ATOM 0 HA ALA A 101 11.006 7.199 -4.446 1.00 4.45 H new ATOM 0 HB1 ALA A 101 11.423 6.146 -2.249 1.00 3.75 H new ATOM 0 HB2 ALA A 101 11.810 5.045 -3.593 1.00 3.75 H new ATOM 0 HB3 ALA A 101 13.119 5.868 -2.712 1.00 3.75 H new ATOM 1532 N LEU A 102 13.660 8.660 -3.194 1.00 4.73 N ATOM 1533 CA LEU A 102 14.129 9.776 -2.410 1.00 5.07 C ATOM 1534 C LEU A 102 14.160 11.054 -3.223 1.00 6.33 C ATOM 1535 O LEU A 102 14.189 11.029 -4.455 1.00 6.97 O ATOM 1536 CB LEU A 102 15.495 9.473 -1.776 1.00 4.90 C ATOM 1537 CG LEU A 102 16.599 8.986 -2.727 1.00 5.36 C ATOM 1538 CD1 LEU A 102 17.217 10.143 -3.498 1.00 6.64 C ATOM 1539 CD2 LEU A 102 17.674 8.252 -1.947 1.00 4.98 C ATOM 0 H LEU A 102 14.399 8.092 -3.608 1.00 4.73 H new ATOM 0 HA LEU A 102 13.418 9.931 -1.598 1.00 5.07 H new ATOM 0 HB2 LEU A 102 15.848 10.376 -1.278 1.00 4.90 H new ATOM 0 HB3 LEU A 102 15.353 8.718 -1.003 1.00 4.90 H new ATOM 0 HG LEU A 102 16.144 8.304 -3.446 1.00 5.36 H new ATOM 0 HD11 LEU A 102 17.994 9.764 -4.162 1.00 6.64 H new ATOM 0 HD12 LEU A 102 16.447 10.640 -4.088 1.00 6.64 H new ATOM 0 HD13 LEU A 102 17.653 10.855 -2.798 1.00 6.64 H new ATOM 0 HD21 LEU A 102 18.451 7.911 -2.631 1.00 4.98 H new ATOM 0 HD22 LEU A 102 18.110 8.924 -1.208 1.00 4.98 H new ATOM 0 HD23 LEU A 102 17.234 7.393 -1.441 1.00 4.98 H new ATOM 1551 N ILE A 103 14.139 12.165 -2.526 1.00 6.87 N ATOM 1552 CA ILE A 103 14.189 13.464 -3.157 1.00 8.18 C ATOM 1553 C ILE A 103 15.547 14.099 -2.934 1.00 8.75 C ATOM 1554 O ILE A 103 16.023 14.167 -1.805 1.00 8.67 O ATOM 1555 CB ILE A 103 13.112 14.410 -2.586 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.702 13.848 -2.814 1.00 8.52 C ATOM 1557 CG2 ILE A 103 13.257 15.804 -3.173 1.00 10.20 C ATOM 1558 CD1 ILE A 103 11.456 13.341 -4.223 1.00 8.14 C ATOM 0 H ILE A 103 14.087 12.195 -1.508 1.00 6.87 H new ATOM 0 HA ILE A 103 14.007 13.315 -4.221 1.00 8.18 H new ATOM 0 HB ILE A 103 13.261 14.484 -1.509 1.00 8.80 H new ATOM 0 HG12 ILE A 103 11.530 13.033 -2.111 1.00 8.52 H new ATOM 0 HG13 ILE A 103 10.972 14.625 -2.587 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.488 16.456 -2.758 1.00 10.20 H new ATOM 0 HG22 ILE A 103 14.242 16.202 -2.927 1.00 10.20 H new ATOM 0 HG23 ILE A 103 13.145 15.756 -4.256 1.00 10.20 H new ATOM 0 HD11 ILE A 103 10.437 12.961 -4.300 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.594 14.157 -4.933 1.00 8.14 H new ATOM 0 HD13 ILE A 103 12.160 12.540 -4.450 1.00 8.14 H new ATOM 1570 N ARG A 104 16.181 14.552 -3.993 1.00 9.50 N ATOM 1571 CA ARG A 104 17.391 15.326 -3.832 1.00 10.25 C ATOM 1572 C ARG A 104 17.080 16.803 -3.866 1.00 11.48 C ATOM 1573 O ARG A 104 16.478 17.302 -4.816 1.00 12.12 O ATOM 1574 CB ARG A 104 18.461 14.967 -4.863 1.00 10.50 C ATOM 1575 CG ARG A 104 19.189 13.676 -4.539 1.00 9.82 C ATOM 1576 CD ARG A 104 19.964 13.801 -3.237 1.00 9.98 C ATOM 1577 NE ARG A 104 21.153 14.639 -3.377 1.00 10.43 N ATOM 1578 CZ ARG A 104 21.996 14.903 -2.379 1.00 10.83 C ATOM 1579 NH1 ARG A 104 21.773 14.402 -1.169 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 23.060 15.669 -2.590 1.00 11.42 N ATOM 0 H ARG A 104 15.886 14.402 -4.958 1.00 9.50 H new ATOM 0 HA ARG A 104 17.805 15.075 -2.856 1.00 10.25 H new ATOM 0 HB2 ARG A 104 17.996 14.879 -5.845 1.00 10.50 H new ATOM 0 HB3 ARG A 104 19.185 15.780 -4.925 1.00 10.50 H new ATOM 0 HG2 ARG A 104 18.472 12.859 -4.463 1.00 9.82 H new ATOM 0 HG3 ARG A 104 19.872 13.426 -5.351 1.00 9.82 H new ATOM 0 HD2 ARG A 104 19.314 14.221 -2.469 1.00 9.98 H new ATOM 0 HD3 ARG A 104 20.260 12.809 -2.896 1.00 9.98 H new ATOM 0 HE ARG A 104 21.349 15.046 -4.292 1.00 10.43 H new ATOM 0 HH11 ARG A 104 20.956 13.815 -1.003 1.00 10.83 H new ATOM 0 HH12 ARG A 104 22.419 14.605 -0.406 1.00 10.83 H new ATOM 0 HH21 ARG A 104 23.233 16.057 -3.517 1.00 11.42 H new ATOM 0 HH22 ARG A 104 23.704 15.870 -1.825 1.00 11.42 H new ATOM 1594 N THR A 105 17.473 17.496 -2.817 1.00 11.91 N ATOM 1595 CA THR A 105 17.258 18.921 -2.733 1.00 13.15 C ATOM 1596 C THR A 105 18.365 19.579 -1.920 1.00 13.72 C ATOM 1597 O THR A 105 18.857 18.997 -0.955 1.00 13.20 O ATOM 1598 CB THR A 105 15.875 19.247 -2.119 1.00 13.31 C ATOM 1599 OG1 THR A 105 15.710 20.665 -1.975 1.00 14.61 O ATOM 1600 CG2 THR A 105 15.700 18.568 -0.768 1.00 12.61 C ATOM 0 H THR A 105 17.945 17.091 -2.009 1.00 11.91 H new ATOM 0 HA THR A 105 17.279 19.321 -3.747 1.00 13.15 H new ATOM 0 HB THR A 105 15.113 18.866 -2.798 1.00 13.31 H new ATOM 0 HG1 THR A 105 14.830 20.854 -1.587 1.00 14.61 H new ATOM 0 HG21 THR A 105 14.720 18.815 -0.361 1.00 12.61 H new ATOM 0 HG22 THR A 105 15.780 17.488 -0.891 1.00 12.61 H new ATOM 0 HG23 THR A 105 16.475 18.914 -0.084 1.00 12.61 H new ATOM 1608 N GLY A 106 18.773 20.776 -2.334 1.00 14.84 N ATOM 1609 CA GLY A 106 19.805 21.504 -1.624 1.00 15.52 C ATOM 1610 C GLY A 106 21.044 20.668 -1.397 1.00 14.91 C ATOM 1611 O GLY A 106 21.703 20.247 -2.350 1.00 14.86 O ATOM 0 H GLY A 106 18.403 21.255 -3.155 1.00 14.84 H new ATOM 0 HA2 GLY A 106 20.071 22.397 -2.189 1.00 15.52 H new ATOM 0 HA3 GLY A 106 19.414 21.839 -0.663 1.00 15.52 H new ATOM 1615 N ALA A 107 21.352 20.417 -0.137 1.00 14.57 N ATOM 1616 CA ALA A 107 22.469 19.565 0.218 1.00 14.09 C ATOM 1617 C ALA A 107 22.004 18.381 1.052 1.00 12.88 C ATOM 1618 O ALA A 107 22.691 17.942 1.972 1.00 12.64 O ATOM 1619 CB ALA A 107 23.535 20.364 0.953 1.00 14.99 C ATOM 0 H ALA A 107 20.840 20.794 0.660 1.00 14.57 H new ATOM 0 HA ALA A 107 22.908 19.174 -0.700 1.00 14.09 H new ATOM 0 HB1 ALA A 107 24.367 19.709 1.212 1.00 14.99 H new ATOM 0 HB2 ALA A 107 23.893 21.169 0.311 1.00 14.99 H new ATOM 0 HB3 ALA A 107 23.110 20.788 1.863 1.00 14.99 H new ATOM 1625 N ARG A 108 20.832 17.866 0.726 1.00 12.19 N ATOM 1626 CA ARG A 108 20.230 16.806 1.513 1.00 11.09 C ATOM 1627 C ARG A 108 19.327 15.920 0.670 1.00 10.26 C ATOM 1628 O ARG A 108 19.170 16.134 -0.534 1.00 10.63 O ATOM 1629 CB ARG A 108 19.432 17.412 2.645 1.00 11.48 C ATOM 1630 CG ARG A 108 18.487 18.487 2.171 1.00 12.49 C ATOM 1631 CD ARG A 108 17.711 19.049 3.334 1.00 12.62 C ATOM 1632 NE ARG A 108 16.735 20.057 2.919 1.00 13.67 N ATOM 1633 CZ ARG A 108 15.664 20.396 3.638 1.00 14.22 C ATOM 1634 NH1 ARG A 108 15.461 19.859 4.834 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 14.807 21.294 3.171 1.00 15.20 N ATOM 0 H ARG A 108 20.279 18.164 -0.077 1.00 12.19 H new ATOM 0 HA ARG A 108 21.033 16.183 1.908 1.00 11.09 H new ATOM 0 HB2 ARG A 108 18.864 16.628 3.146 1.00 11.48 H new ATOM 0 HB3 ARG A 108 20.115 17.832 3.383 1.00 11.48 H new ATOM 0 HG2 ARG A 108 19.047 19.283 1.680 1.00 12.49 H new ATOM 0 HG3 ARG A 108 17.800 18.077 1.431 1.00 12.49 H new ATOM 0 HD2 ARG A 108 17.195 18.238 3.849 1.00 12.62 H new ATOM 0 HD3 ARG A 108 18.404 19.491 4.050 1.00 12.62 H new ATOM 0 HE ARG A 108 16.882 20.529 2.027 1.00 13.67 H new ATOM 0 HH11 ARG A 108 16.126 19.183 5.209 1.00 13.92 H new ATOM 0 HH12 ARG A 108 14.640 20.123 5.379 1.00 13.92 H new ATOM 0 HH21 ARG A 108 14.967 21.726 2.261 1.00 15.20 H new ATOM 0 HH22 ARG A 108 13.988 21.552 3.722 1.00 15.20 H new ATOM 1649 N THR A 109 18.725 14.938 1.316 1.00 9.26 N ATOM 1650 CA THR A 109 17.786 14.053 0.663 1.00 8.38 C ATOM 1651 C THR A 109 16.519 13.947 1.502 1.00 8.15 C ATOM 1652 O THR A 109 16.569 14.053 2.727 1.00 8.42 O ATOM 1653 CB THR A 109 18.401 12.655 0.471 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.737 12.780 -0.037 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.567 11.826 -0.486 1.00 6.64 C ATOM 0 H THR A 109 18.874 14.734 2.304 1.00 9.26 H new ATOM 0 HA THR A 109 17.543 14.462 -0.318 1.00 8.38 H new ATOM 0 HB THR A 109 18.422 12.151 1.437 1.00 7.38 H new ATOM 0 HG1 THR A 109 20.375 12.474 0.641 1.00 7.95 H new ATOM 0 HG21 THR A 109 18.021 10.842 -0.606 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.559 11.714 -0.087 1.00 6.64 H new ATOM 0 HG23 THR A 109 17.521 12.325 -1.454 1.00 6.64 H new ATOM 1663 N ILE A 110 15.383 13.773 0.852 1.00 7.89 N ATOM 1664 CA ILE A 110 14.121 13.637 1.561 1.00 7.87 C ATOM 1665 C ILE A 110 13.453 12.316 1.198 1.00 6.75 C ATOM 1666 O ILE A 110 13.577 11.837 0.074 1.00 6.24 O ATOM 1667 CB ILE A 110 13.144 14.793 1.245 1.00 9.02 C ATOM 1668 CG1 ILE A 110 13.804 16.161 1.457 1.00 10.20 C ATOM 1669 CG2 ILE A 110 11.889 14.674 2.094 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.240 16.428 2.884 1.00 10.55 C ATOM 0 H ILE A 110 15.307 13.722 -0.164 1.00 7.89 H new ATOM 0 HA ILE A 110 14.352 13.666 2.626 1.00 7.87 H new ATOM 0 HB ILE A 110 12.868 14.716 0.193 1.00 9.02 H new ATOM 0 HG12 ILE A 110 14.673 16.237 0.803 1.00 10.20 H new ATOM 0 HG13 ILE A 110 13.106 16.940 1.151 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.212 15.495 1.859 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.396 13.725 1.883 1.00 9.31 H new ATOM 0 HG23 ILE A 110 12.158 14.716 3.149 1.00 9.31 H new ATOM 0 HD11 ILE A 110 14.696 17.416 2.946 1.00 10.55 H new ATOM 0 HD12 ILE A 110 13.373 16.387 3.543 1.00 10.55 H new ATOM 0 HD13 ILE A 110 14.965 15.674 3.190 1.00 10.55 H new ATOM 1682 N ALA A 111 12.766 11.734 2.159 1.00 6.58 N ATOM 1683 CA ALA A 111 12.018 10.510 1.946 1.00 5.74 C ATOM 1684 C ALA A 111 10.548 10.742 2.228 1.00 6.51 C ATOM 1685 O ALA A 111 10.190 11.304 3.258 1.00 7.39 O ATOM 1686 CB ALA A 111 12.546 9.403 2.839 1.00 5.00 C ATOM 0 H ALA A 111 12.710 12.096 3.111 1.00 6.58 H new ATOM 0 HA ALA A 111 12.138 10.208 0.906 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.973 8.492 2.666 1.00 5.00 H new ATOM 0 HB2 ALA A 111 13.596 9.221 2.610 1.00 5.00 H new ATOM 0 HB3 ALA A 111 12.449 9.700 3.883 1.00 5.00 H new ATOM 1692 N MET A 112 9.700 10.328 1.315 1.00 6.37 N ATOM 1693 CA MET A 112 8.270 10.467 1.504 1.00 7.19 C ATOM 1694 C MET A 112 7.714 9.218 2.176 1.00 6.90 C ATOM 1695 O MET A 112 7.434 8.224 1.511 1.00 6.29 O ATOM 1696 CB MET A 112 7.596 10.677 0.151 1.00 7.48 C ATOM 1697 CG MET A 112 7.833 12.056 -0.440 1.00 8.19 C ATOM 1698 SD MET A 112 7.353 13.366 0.697 1.00 8.85 S ATOM 1699 CE MET A 112 5.795 12.710 1.289 1.00 8.24 C ATOM 0 H MET A 112 9.973 9.892 0.434 1.00 6.37 H new ATOM 0 HA MET A 112 8.071 11.328 2.141 1.00 7.19 H new ATOM 0 HB2 MET A 112 7.961 9.924 -0.548 1.00 7.48 H new ATOM 0 HB3 MET A 112 6.523 10.517 0.260 1.00 7.48 H new ATOM 0 HG2 MET A 112 8.887 12.165 -0.695 1.00 8.19 H new ATOM 0 HG3 MET A 112 7.269 12.155 -1.367 1.00 8.19 H new ATOM 0 HE1 MET A 112 5.183 13.523 1.679 1.00 8.24 H new ATOM 0 HE2 MET A 112 5.270 12.222 0.468 1.00 8.24 H new ATOM 0 HE3 MET A 112 5.983 11.985 2.081 1.00 8.24 H new ATOM 1709 N VAL A 113 7.525 9.283 3.490 1.00 7.60 N ATOM 1710 CA VAL A 113 7.185 8.102 4.267 1.00 7.75 C ATOM 1711 C VAL A 113 5.691 7.812 4.238 1.00 8.59 C ATOM 1712 O VAL A 113 4.864 8.720 4.320 1.00 9.48 O ATOM 1713 CB VAL A 113 7.648 8.234 5.737 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.880 9.320 6.476 1.00 9.69 C ATOM 1715 CG2 VAL A 113 7.518 6.902 6.457 1.00 8.72 C ATOM 0 H VAL A 113 7.602 10.141 4.036 1.00 7.60 H new ATOM 0 HA VAL A 113 7.712 7.270 3.800 1.00 7.75 H new ATOM 0 HB VAL A 113 8.698 8.527 5.726 1.00 8.42 H new ATOM 0 HG11 VAL A 113 7.235 9.381 7.505 1.00 9.69 H new ATOM 0 HG12 VAL A 113 7.037 10.278 5.981 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.817 9.080 6.473 1.00 9.69 H new ATOM 0 HG21 VAL A 113 7.848 7.013 7.490 1.00 8.72 H new ATOM 0 HG22 VAL A 113 6.477 6.580 6.441 1.00 8.72 H new ATOM 0 HG23 VAL A 113 8.136 6.156 5.957 1.00 8.72 H new ATOM 1725 N ALA A 114 5.359 6.536 4.118 1.00 8.43 N ATOM 1726 CA ALA A 114 3.982 6.096 4.211 1.00 9.31 C ATOM 1727 C ALA A 114 3.622 5.833 5.664 1.00 10.44 C ATOM 1728 O ALA A 114 3.981 4.796 6.224 1.00 10.70 O ATOM 1729 CB ALA A 114 3.748 4.847 3.378 1.00 8.96 C ATOM 0 H ALA A 114 6.031 5.786 3.955 1.00 8.43 H new ATOM 0 HA ALA A 114 3.342 6.886 3.818 1.00 9.31 H new ATOM 0 HB1 ALA A 114 2.706 4.540 3.467 1.00 8.96 H new ATOM 0 HB2 ALA A 114 3.976 5.058 2.333 1.00 8.96 H new ATOM 0 HB3 ALA A 114 4.394 4.045 3.735 1.00 8.96 H new ATOM 1735 N LYS A 115 2.947 6.785 6.278 1.00 11.26 N ATOM 1736 CA LYS A 115 2.536 6.638 7.665 1.00 12.43 C ATOM 1737 C LYS A 115 1.200 5.926 7.771 1.00 13.26 C ATOM 1738 O LYS A 115 0.339 6.058 6.899 1.00 13.19 O ATOM 1739 CB LYS A 115 2.439 7.996 8.359 1.00 13.13 C ATOM 1740 CG LYS A 115 3.780 8.645 8.639 1.00 13.19 C ATOM 1741 CD LYS A 115 3.607 9.940 9.413 1.00 14.08 C ATOM 1742 CE LYS A 115 4.948 10.542 9.804 1.00 14.36 C ATOM 1743 NZ LYS A 115 4.790 11.876 10.435 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.671 7.665 5.843 1.00 11.26 H new ATOM 0 HA LYS A 115 3.299 6.038 8.161 1.00 12.43 H new ATOM 0 HB2 LYS A 115 1.845 8.667 7.739 1.00 13.13 H new ATOM 0 HB3 LYS A 115 1.903 7.874 9.300 1.00 13.13 H new ATOM 0 HG2 LYS A 115 4.408 7.959 9.207 1.00 13.19 H new ATOM 0 HG3 LYS A 115 4.295 8.845 7.699 1.00 13.19 H new ATOM 0 HD2 LYS A 115 3.049 10.655 8.808 1.00 14.08 H new ATOM 0 HD3 LYS A 115 3.016 9.752 10.310 1.00 14.08 H new ATOM 0 HE2 LYS A 115 5.460 9.872 10.494 1.00 14.36 H new ATOM 0 HE3 LYS A 115 5.578 10.631 8.919 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 5.713 12.354 10.471 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 4.125 12.448 9.876 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 4.421 11.762 11.401 1.00 14.88 H new ATOM 1757 N GLY A 116 1.019 5.197 8.865 1.00 14.15 N ATOM 1758 CA GLY A 116 -0.268 4.599 9.157 1.00 15.10 C ATOM 1759 C GLY A 116 -1.247 5.632 9.681 1.00 16.02 C ATOM 1760 O GLY A 116 -2.327 5.300 10.170 1.00 16.92 O ATOM 0 H GLY A 116 1.744 5.009 9.557 1.00 14.15 H new ATOM 0 HA2 GLY A 116 -0.670 4.137 8.255 1.00 15.10 H new ATOM 0 HA3 GLY A 116 -0.144 3.805 9.893 1.00 15.10 H new ATOM 1764 N GLU A 117 -0.852 6.893 9.579 1.00 15.88 N ATOM 1765 CA GLU A 117 -1.682 8.002 10.008 1.00 16.82 C ATOM 1766 C GLU A 117 -2.420 8.609 8.820 1.00 16.56 C ATOM 1767 O GLU A 117 -2.932 9.728 8.885 1.00 17.25 O ATOM 1768 CB GLU A 117 -0.833 9.061 10.699 1.00 17.04 C ATOM 1769 CG GLU A 117 -0.085 8.517 11.896 1.00 17.42 C ATOM 1770 CD GLU A 117 0.546 9.604 12.732 1.00 17.95 C ATOM 1771 OE1 GLU A 117 -0.198 10.406 13.330 1.00 18.56 O ATOM 1772 OE2 GLU A 117 1.790 9.661 12.799 1.00 17.82 O1- ATOM 0 H GLU A 117 0.051 7.172 9.197 1.00 15.88 H new ATOM 0 HA GLU A 117 -2.419 7.627 10.718 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -0.119 9.472 9.985 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -1.473 9.883 11.018 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -0.771 7.939 12.516 1.00 17.42 H new ATOM 0 HG3 GLU A 117 0.690 7.831 11.554 1.00 17.42 H new ATOM 1779 N GLY A 118 -2.448 7.853 7.727 1.00 15.62 N ATOM 1780 CA GLY A 118 -3.234 8.224 6.566 1.00 15.41 C ATOM 1781 C GLY A 118 -2.578 9.281 5.710 1.00 14.71 C ATOM 1782 O GLY A 118 -3.245 9.926 4.901 1.00 14.71 O ATOM 0 H GLY A 118 -1.933 6.979 7.626 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -3.414 7.336 5.960 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -4.207 8.587 6.896 1.00 15.41 H new ATOM 1786 N GLY A 119 -1.276 9.455 5.862 1.00 14.19 N ATOM 1787 CA GLY A 119 -0.598 10.500 5.132 1.00 13.68 C ATOM 1788 C GLY A 119 0.848 10.172 4.842 1.00 12.53 C ATOM 1789 O GLY A 119 1.390 9.183 5.344 1.00 12.20 O ATOM 0 H GLY A 119 -0.681 8.896 6.473 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -1.121 10.677 4.192 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -0.647 11.427 5.704 1.00 13.68 H new ATOM 1793 N PHE A 120 1.464 11.014 4.031 1.00 12.03 N ATOM 1794 CA PHE A 120 2.851 10.851 3.639 1.00 10.94 C ATOM 1795 C PHE A 120 3.648 12.066 4.071 1.00 11.32 C ATOM 1796 O PHE A 120 3.443 13.168 3.556 1.00 11.97 O ATOM 1797 CB PHE A 120 2.954 10.691 2.122 1.00 10.11 C ATOM 1798 CG PHE A 120 2.336 9.431 1.601 1.00 9.82 C ATOM 1799 CD1 PHE A 120 0.998 9.392 1.251 1.00 9.56 C ATOM 1800 CD2 PHE A 120 3.094 8.285 1.461 1.00 9.99 C ATOM 1801 CE1 PHE A 120 0.429 8.232 0.771 1.00 9.49 C ATOM 1802 CE2 PHE A 120 2.533 7.124 0.984 1.00 9.89 C ATOM 1803 CZ PHE A 120 1.199 7.093 0.637 1.00 9.66 C ATOM 0 H PHE A 120 1.013 11.834 3.624 1.00 12.03 H new ATOM 0 HA PHE A 120 3.251 9.959 4.121 1.00 10.94 H new ATOM 0 HB2 PHE A 120 2.474 11.544 1.643 1.00 10.11 H new ATOM 0 HB3 PHE A 120 4.005 10.714 1.835 1.00 10.11 H new ATOM 0 HD1 PHE A 120 0.393 10.280 1.355 1.00 9.56 H new ATOM 0 HD2 PHE A 120 4.140 8.301 1.729 1.00 9.99 H new ATOM 0 HE1 PHE A 120 -0.616 8.214 0.500 1.00 9.49 H new ATOM 0 HE2 PHE A 120 3.138 6.235 0.881 1.00 9.89 H new ATOM 0 HZ PHE A 120 0.758 6.182 0.262 1.00 9.66 H new ATOM 1813 N ASP A 121 4.547 11.871 5.017 1.00 11.05 N ATOM 1814 CA ASP A 121 5.352 12.969 5.517 1.00 11.56 C ATOM 1815 C ASP A 121 6.753 12.900 4.948 1.00 10.58 C ATOM 1816 O ASP A 121 7.273 11.811 4.702 1.00 9.55 O ATOM 1817 CB ASP A 121 5.418 12.977 7.043 1.00 12.35 C ATOM 1818 CG ASP A 121 4.235 13.670 7.688 1.00 13.39 C ATOM 1819 OD1 ASP A 121 4.165 14.913 7.632 1.00 13.79 O ATOM 1820 OD2 ASP A 121 3.384 12.975 8.283 1.00 13.91 O1- ATOM 0 H ASP A 121 4.738 10.968 5.452 1.00 11.05 H new ATOM 0 HA ASP A 121 4.873 13.893 5.194 1.00 11.56 H new ATOM 0 HB2 ASP A 121 5.470 11.950 7.403 1.00 12.35 H new ATOM 0 HB3 ASP A 121 6.337 13.472 7.358 1.00 12.35 H new ATOM 1825 N PRO A 122 7.388 14.044 4.721 1.00 10.99 N ATOM 1826 CA PRO A 122 8.745 14.081 4.224 1.00 10.31 C ATOM 1827 C PRO A 122 9.775 13.985 5.342 1.00 10.40 C ATOM 1828 O PRO A 122 9.794 14.785 6.284 1.00 11.44 O ATOM 1829 CB PRO A 122 8.807 15.421 3.514 1.00 11.13 C ATOM 1830 CG PRO A 122 7.831 16.297 4.231 1.00 12.35 C ATOM 1831 CD PRO A 122 6.832 15.392 4.911 1.00 12.29 C ATOM 0 HA PRO A 122 8.981 13.237 3.576 1.00 10.31 H new ATOM 0 HB2 PRO A 122 9.813 15.840 3.553 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.544 15.320 2.461 1.00 11.13 H new ATOM 0 HG2 PRO A 122 8.342 16.924 4.962 1.00 12.35 H new ATOM 0 HG3 PRO A 122 7.330 16.967 3.532 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.728 15.636 5.968 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.842 15.482 4.464 1.00 12.29 H new ATOM 1839 N VAL A 123 10.622 12.985 5.228 1.00 9.36 N ATOM 1840 CA VAL A 123 11.664 12.727 6.205 1.00 9.43 C ATOM 1841 C VAL A 123 13.005 13.149 5.640 1.00 9.05 C ATOM 1842 O VAL A 123 13.404 12.684 4.575 1.00 8.18 O ATOM 1843 CB VAL A 123 11.759 11.228 6.566 1.00 8.79 C ATOM 1844 CG1 VAL A 123 12.547 11.029 7.852 1.00 7.90 C ATOM 1845 CG2 VAL A 123 10.382 10.593 6.665 1.00 9.39 C ATOM 0 H VAL A 123 10.609 12.323 4.452 1.00 9.36 H new ATOM 0 HA VAL A 123 11.412 13.294 7.101 1.00 9.43 H new ATOM 0 HB VAL A 123 12.294 10.726 5.760 1.00 8.79 H new ATOM 0 HG11 VAL A 123 12.600 9.966 8.085 1.00 7.90 H new ATOM 0 HG12 VAL A 123 13.555 11.424 7.726 1.00 7.90 H new ATOM 0 HG13 VAL A 123 12.051 11.555 8.668 1.00 7.90 H new ATOM 0 HG21 VAL A 123 10.485 9.538 6.920 1.00 9.39 H new ATOM 0 HG22 VAL A 123 9.803 11.099 7.438 1.00 9.39 H new ATOM 0 HG23 VAL A 123 9.869 10.686 5.708 1.00 9.39 H new ATOM 1855 N GLU A 124 13.688 14.036 6.335 1.00 9.85 N ATOM 1856 CA GLU A 124 15.028 14.421 5.940 1.00 9.72 C ATOM 1857 C GLU A 124 15.980 13.263 6.196 1.00 8.90 C ATOM 1858 O GLU A 124 16.239 12.900 7.345 1.00 9.21 O ATOM 1859 CB GLU A 124 15.472 15.668 6.694 1.00 10.96 C ATOM 1860 CG GLU A 124 16.856 16.155 6.317 1.00 11.07 C ATOM 1861 CD GLU A 124 17.227 17.413 7.061 1.00 12.34 C ATOM 1862 OE1 GLU A 124 17.610 17.317 8.244 1.00 12.83 O ATOM 1863 OE2 GLU A 124 17.166 18.502 6.458 1.00 12.93 O1- ATOM 0 H GLU A 124 13.339 14.502 7.173 1.00 9.85 H new ATOM 0 HA GLU A 124 15.036 14.658 4.876 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.754 16.467 6.509 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.450 15.461 7.764 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.587 15.376 6.533 1.00 11.07 H new ATOM 0 HG3 GLU A 124 16.896 16.342 5.244 1.00 11.07 H new ATOM 1870 N VAL A 125 16.484 12.676 5.129 1.00 8.03 N ATOM 1871 CA VAL A 125 17.285 11.472 5.234 1.00 7.30 C ATOM 1872 C VAL A 125 18.680 11.668 4.661 1.00 7.38 C ATOM 1873 O VAL A 125 18.933 12.593 3.887 1.00 7.84 O ATOM 1874 CB VAL A 125 16.616 10.287 4.506 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.298 9.922 5.163 1.00 6.15 C ATOM 1876 CG2 VAL A 125 16.408 10.599 3.032 1.00 5.62 C ATOM 0 H VAL A 125 16.353 13.014 4.176 1.00 8.03 H new ATOM 0 HA VAL A 125 17.364 11.251 6.298 1.00 7.30 H new ATOM 0 HB VAL A 125 17.285 9.430 4.581 1.00 6.19 H new ATOM 0 HG11 VAL A 125 14.846 9.084 4.632 1.00 6.15 H new ATOM 0 HG12 VAL A 125 15.475 9.640 6.201 1.00 6.15 H new ATOM 0 HG13 VAL A 125 14.625 10.779 5.129 1.00 6.15 H new ATOM 0 HG21 VAL A 125 15.935 9.747 2.543 1.00 5.62 H new ATOM 0 HG22 VAL A 125 15.768 11.476 2.932 1.00 5.62 H new ATOM 0 HG23 VAL A 125 17.371 10.798 2.563 1.00 5.62 H new ATOM 1886 N LYS A 126 19.581 10.792 5.067 1.00 7.21 N ATOM 1887 CA LYS A 126 20.899 10.728 4.509 1.00 7.44 C ATOM 1888 C LYS A 126 20.869 9.732 3.363 1.00 6.77 C ATOM 1889 O LYS A 126 20.388 8.618 3.536 1.00 6.29 O ATOM 1890 CB LYS A 126 21.871 10.253 5.576 1.00 8.03 C ATOM 1891 CG LYS A 126 23.288 10.760 5.462 1.00 8.46 C ATOM 1892 CD LYS A 126 23.816 10.763 4.041 1.00 9.06 C ATOM 1893 CE LYS A 126 25.251 11.273 3.981 1.00 9.72 C ATOM 1894 NZ LYS A 126 25.369 12.678 4.456 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.407 10.104 5.800 1.00 7.21 H new ATOM 0 HA LYS A 126 21.217 11.707 4.152 1.00 7.44 H new ATOM 0 HB2 LYS A 126 21.480 10.546 6.550 1.00 8.03 H new ATOM 0 HB3 LYS A 126 21.895 9.163 5.557 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.336 11.773 5.861 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.938 10.142 6.081 1.00 8.46 H new ATOM 0 HD2 LYS A 126 23.770 9.754 3.632 1.00 9.06 H new ATOM 0 HD3 LYS A 126 23.179 11.389 3.416 1.00 9.06 H new ATOM 0 HE2 LYS A 126 25.889 10.631 4.589 1.00 9.72 H new ATOM 0 HE3 LYS A 126 25.616 11.206 2.956 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 26.303 13.055 4.196 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 24.627 13.257 4.015 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 25.260 12.705 5.490 1.00 10.39 H new ATOM 1908 N ALA A 127 21.382 10.107 2.216 1.00 7.04 N ATOM 1909 CA ALA A 127 21.375 9.201 1.081 1.00 6.78 C ATOM 1910 C ALA A 127 22.660 9.284 0.279 1.00 7.69 C ATOM 1911 O ALA A 127 22.868 10.239 -0.467 1.00 8.30 O ATOM 1912 CB ALA A 127 20.187 9.500 0.185 1.00 6.34 C ATOM 0 H ALA A 127 21.805 11.018 2.039 1.00 7.04 H new ATOM 0 HA ALA A 127 21.295 8.187 1.472 1.00 6.78 H new ATOM 0 HB1 ALA A 127 20.190 8.816 -0.663 1.00 6.34 H new ATOM 0 HB2 ALA A 127 19.264 9.373 0.750 1.00 6.34 H new ATOM 0 HB3 ALA A 127 20.253 10.526 -0.176 1.00 6.34 H new ATOM 1918 N GLY A 128 23.550 8.321 0.450 1.00 8.00 N ATOM 1919 CA GLY A 128 24.622 8.193 -0.508 1.00 8.94 C ATOM 1920 C GLY A 128 25.222 6.807 -0.579 1.00 9.46 C ATOM 1921 O GLY A 128 26.337 6.590 -0.104 1.00 10.10 O ATOM 0 H GLY A 128 23.551 7.644 1.213 1.00 8.00 H new ATOM 0 HA2 GLY A 128 24.248 8.467 -1.495 1.00 8.94 H new ATOM 0 HA3 GLY A 128 25.408 8.905 -0.256 1.00 8.94 H new ATOM 1925 N ALA A 129 24.482 5.861 -1.132 1.00 9.37 N ATOM 1926 CA ALA A 129 25.049 4.660 -1.710 1.00 10.27 C ATOM 1927 C ALA A 129 24.141 4.164 -2.828 1.00 10.12 C ATOM 1928 O ALA A 129 22.988 4.591 -2.912 1.00 9.18 O ATOM 1929 CB ALA A 129 25.303 3.598 -0.663 1.00 10.61 C ATOM 0 H ALA A 129 23.465 5.907 -1.192 1.00 9.37 H new ATOM 0 HA ALA A 129 26.024 4.896 -2.135 1.00 10.27 H new ATOM 0 HB1 ALA A 129 25.728 2.714 -1.137 1.00 10.61 H new ATOM 0 HB2 ALA A 129 26.000 3.981 0.082 1.00 10.61 H new ATOM 0 HB3 ALA A 129 24.363 3.333 -0.178 1.00 10.61 H new ATOM 1935 N THR A 130 24.629 3.289 -3.684 1.00 11.12 N ATOM 1936 CA THR A 130 23.762 2.636 -4.656 1.00 11.19 C ATOM 1937 C THR A 130 24.124 1.166 -4.789 1.00 12.15 C ATOM 1938 O THR A 130 25.300 0.810 -4.906 1.00 13.17 O ATOM 1939 CB THR A 130 23.826 3.310 -6.037 1.00 11.72 C ATOM 1940 OG1 THR A 130 23.563 4.714 -5.904 1.00 11.18 O ATOM 1941 CG2 THR A 130 22.816 2.693 -6.998 1.00 11.68 C ATOM 0 H THR A 130 25.610 3.013 -3.730 1.00 11.12 H new ATOM 0 HA THR A 130 22.742 2.730 -4.285 1.00 11.19 H new ATOM 0 HB THR A 130 24.826 3.157 -6.443 1.00 11.72 H new ATOM 0 HG1 THR A 130 23.606 5.140 -6.786 1.00 11.18 H new ATOM 0 HG21 THR A 130 22.884 3.190 -7.966 1.00 11.68 H new ATOM 0 HG22 THR A 130 23.031 1.631 -7.119 1.00 11.68 H new ATOM 0 HG23 THR A 130 21.810 2.816 -6.597 1.00 11.68 H new ATOM 1949 N ALA A 131 23.110 0.320 -4.759 1.00 11.92 N ATOM 1950 CA ALA A 131 23.313 -1.111 -4.822 1.00 12.91 C ATOM 1951 C ALA A 131 22.209 -1.795 -5.620 1.00 12.98 C ATOM 1952 O ALA A 131 21.088 -1.959 -5.135 1.00 12.19 O ATOM 1953 CB ALA A 131 23.387 -1.688 -3.417 1.00 12.87 C ATOM 0 H ALA A 131 22.133 0.604 -4.691 1.00 11.92 H new ATOM 0 HA ALA A 131 24.256 -1.297 -5.335 1.00 12.91 H new ATOM 0 HB1 ALA A 131 23.540 -2.766 -3.474 1.00 12.87 H new ATOM 0 HB2 ALA A 131 24.218 -1.231 -2.879 1.00 12.87 H new ATOM 0 HB3 ALA A 131 22.456 -1.481 -2.889 1.00 12.87 H new ATOM 1959 N GLY A 132 22.525 -2.168 -6.854 1.00 14.01 N ATOM 1960 CA GLY A 132 21.593 -2.922 -7.674 1.00 14.34 C ATOM 1961 C GLY A 132 20.397 -2.101 -8.117 1.00 13.47 C ATOM 1962 O GLY A 132 19.262 -2.578 -8.086 1.00 13.23 O ATOM 0 H GLY A 132 23.416 -1.961 -7.305 1.00 14.01 H new ATOM 0 HA2 GLY A 132 22.114 -3.299 -8.554 1.00 14.34 H new ATOM 0 HA3 GLY A 132 21.244 -3.790 -7.114 1.00 14.34 H new ATOM 1966 N GLY A 133 20.652 -0.863 -8.517 1.00 13.12 N ATOM 1967 CA GLY A 133 19.588 0.006 -8.984 1.00 12.40 C ATOM 1968 C GLY A 133 18.802 0.617 -7.844 1.00 10.98 C ATOM 1969 O GLY A 133 17.788 1.285 -8.058 1.00 10.30 O ATOM 0 H GLY A 133 21.581 -0.442 -8.527 1.00 13.12 H new ATOM 0 HA2 GLY A 133 20.014 0.801 -9.596 1.00 12.40 H new ATOM 0 HA3 GLY A 133 18.913 -0.562 -9.624 1.00 12.40 H new ATOM 1973 N GLN A 134 19.265 0.388 -6.628 1.00 10.62 N ATOM 1974 CA GLN A 134 18.605 0.917 -5.453 1.00 9.33 C ATOM 1975 C GLN A 134 19.555 1.841 -4.720 1.00 8.96 C ATOM 1976 O GLN A 134 20.769 1.678 -4.807 1.00 9.81 O ATOM 1977 CB GLN A 134 18.142 -0.207 -4.517 1.00 9.38 C ATOM 1978 CG GLN A 134 17.166 -1.182 -5.157 1.00 9.89 C ATOM 1979 CD GLN A 134 16.755 -2.297 -4.214 1.00 10.08 C ATOM 1980 OE1 GLN A 134 17.404 -3.341 -4.147 1.00 10.39 O ATOM 1981 NE2 GLN A 134 15.668 -2.092 -3.485 1.00 10.17 N ATOM 0 H GLN A 134 20.100 -0.164 -6.431 1.00 10.62 H new ATOM 0 HA GLN A 134 17.721 1.469 -5.773 1.00 9.33 H new ATOM 0 HB2 GLN A 134 19.015 -0.759 -4.169 1.00 9.38 H new ATOM 0 HB3 GLN A 134 17.674 0.236 -3.638 1.00 9.38 H new ATOM 0 HG2 GLN A 134 16.278 -0.641 -5.483 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.621 -1.614 -6.048 1.00 9.89 H new ATOM 0 HE21 GLN A 134 15.156 -1.213 -3.568 1.00 10.17 H new ATOM 0 HE22 GLN A 134 15.343 -2.813 -2.841 1.00 10.17 H new ATOM 1990 N SER A 135 19.017 2.798 -4.005 1.00 7.82 N ATOM 1991 CA SER A 135 19.836 3.722 -3.268 1.00 7.56 C ATOM 1992 C SER A 135 19.899 3.319 -1.802 1.00 7.12 C ATOM 1993 O SER A 135 19.059 2.550 -1.327 1.00 6.78 O ATOM 1994 CB SER A 135 19.320 5.151 -3.432 1.00 6.91 C ATOM 1995 OG SER A 135 17.915 5.199 -3.252 1.00 6.85 O ATOM 0 H SER A 135 18.013 2.956 -3.919 1.00 7.82 H new ATOM 0 HA SER A 135 20.849 3.690 -3.670 1.00 7.56 H new ATOM 0 HB2 SER A 135 19.807 5.804 -2.708 1.00 6.91 H new ATOM 0 HB3 SER A 135 19.578 5.525 -4.423 1.00 6.91 H new ATOM 0 HG SER A 135 17.710 5.602 -2.382 1.00 6.85 H new ATOM 2001 N GLU A 136 20.881 3.828 -1.095 1.00 7.39 N ATOM 2002 CA GLU A 136 21.015 3.543 0.324 1.00 7.25 C ATOM 2003 C GLU A 136 20.755 4.784 1.158 1.00 6.42 C ATOM 2004 O GLU A 136 21.450 5.797 1.045 1.00 6.54 O ATOM 2005 CB GLU A 136 22.409 3.015 0.627 1.00 8.31 C ATOM 2006 CG GLU A 136 22.639 1.599 0.134 1.00 9.31 C ATOM 2007 CD GLU A 136 23.926 0.986 0.658 1.00 10.29 C ATOM 2008 OE1 GLU A 136 24.296 1.275 1.815 1.00 10.79 O1- ATOM 2009 OE2 GLU A 136 24.573 0.208 -0.076 1.00 10.69 O ATOM 0 H GLU A 136 21.601 4.442 -1.475 1.00 7.39 H new ATOM 0 HA GLU A 136 20.274 2.786 0.582 1.00 7.25 H new ATOM 0 HB2 GLU A 136 23.146 3.675 0.170 1.00 8.31 H new ATOM 0 HB3 GLU A 136 22.576 3.048 1.704 1.00 8.31 H new ATOM 0 HG2 GLU A 136 21.798 0.975 0.435 1.00 9.31 H new ATOM 0 HG3 GLU A 136 22.661 1.599 -0.956 1.00 9.31 H new ATOM 2016 N ILE A 137 19.722 4.699 1.974 1.00 5.86 N ATOM 2017 CA ILE A 137 19.439 5.718 2.955 1.00 5.49 C ATOM 2018 C ILE A 137 20.291 5.463 4.181 1.00 6.25 C ATOM 2019 O ILE A 137 19.993 4.580 4.986 1.00 6.73 O ATOM 2020 CB ILE A 137 17.943 5.747 3.337 1.00 4.93 C ATOM 2021 CG1 ILE A 137 17.102 6.138 2.124 1.00 4.16 C ATOM 2022 CG2 ILE A 137 17.697 6.704 4.493 1.00 5.24 C ATOM 2023 CD1 ILE A 137 17.517 7.458 1.507 1.00 4.21 C ATOM 0 H ILE A 137 19.060 3.923 1.973 1.00 5.86 H new ATOM 0 HA ILE A 137 19.678 6.691 2.527 1.00 5.49 H new ATOM 0 HB ILE A 137 17.648 4.749 3.661 1.00 4.93 H new ATOM 0 HG12 ILE A 137 17.177 5.354 1.371 1.00 4.16 H new ATOM 0 HG13 ILE A 137 16.055 6.197 2.420 1.00 4.16 H new ATOM 0 HG21 ILE A 137 16.636 6.707 4.744 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.274 6.383 5.360 1.00 5.24 H new ATOM 0 HG23 ILE A 137 18.004 7.709 4.205 1.00 5.24 H new ATOM 0 HD11 ILE A 137 16.879 7.676 0.650 1.00 4.21 H new ATOM 0 HD12 ILE A 137 17.416 8.253 2.246 1.00 4.21 H new ATOM 0 HD13 ILE A 137 18.555 7.396 1.180 1.00 4.21 H new ATOM 2035 N LEU A 138 21.372 6.226 4.285 1.00 6.60 N ATOM 2036 CA LEU A 138 22.368 6.028 5.322 1.00 7.40 C ATOM 2037 C LEU A 138 21.756 6.262 6.693 1.00 7.59 C ATOM 2038 O LEU A 138 22.006 5.512 7.637 1.00 8.21 O ATOM 2039 CB LEU A 138 23.559 6.962 5.078 1.00 7.87 C ATOM 2040 CG LEU A 138 24.008 7.073 3.625 1.00 8.31 C ATOM 2041 CD1 LEU A 138 25.328 7.788 3.561 1.00 7.93 C ATOM 2042 CD2 LEU A 138 24.101 5.716 2.963 1.00 8.79 C ATOM 0 H LEU A 138 21.580 6.998 3.652 1.00 6.60 H new ATOM 0 HA LEU A 138 22.725 4.999 5.289 1.00 7.40 H new ATOM 0 HB2 LEU A 138 23.300 7.957 5.439 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.401 6.615 5.677 1.00 7.87 H new ATOM 0 HG LEU A 138 23.260 7.646 3.077 1.00 8.31 H new ATOM 0 HD11 LEU A 138 25.649 7.867 2.522 1.00 7.93 H new ATOM 0 HD12 LEU A 138 25.222 8.786 3.985 1.00 7.93 H new ATOM 0 HD13 LEU A 138 26.072 7.230 4.129 1.00 7.93 H new ATOM 0 HD21 LEU A 138 24.424 5.837 1.929 1.00 8.79 H new ATOM 0 HD22 LEU A 138 24.822 5.099 3.498 1.00 8.79 H new ATOM 0 HD23 LEU A 138 23.124 5.233 2.984 1.00 8.79 H new ATOM 2054 N GLU A 139 20.939 7.298 6.780 1.00 7.31 N ATOM 2055 CA GLU A 139 20.236 7.629 8.014 1.00 7.84 C ATOM 2056 C GLU A 139 18.893 8.267 7.710 1.00 7.45 C ATOM 2057 O GLU A 139 18.707 8.842 6.642 1.00 6.77 O ATOM 2058 CB GLU A 139 21.065 8.577 8.881 1.00 8.66 C ATOM 2059 CG GLU A 139 22.159 7.890 9.672 1.00 9.21 C ATOM 2060 CD GLU A 139 22.980 8.862 10.491 1.00 9.98 C ATOM 2061 OE1 GLU A 139 23.848 9.547 9.912 1.00 10.44 O ATOM 2062 OE2 GLU A 139 22.763 8.946 11.718 1.00 10.28 O1- ATOM 0 H GLU A 139 20.743 7.931 6.005 1.00 7.31 H new ATOM 0 HA GLU A 139 20.077 6.700 8.562 1.00 7.84 H new ATOM 0 HB2 GLU A 139 21.515 9.337 8.242 1.00 8.66 H new ATOM 0 HB3 GLU A 139 20.401 9.095 9.573 1.00 8.66 H new ATOM 0 HG2 GLU A 139 21.713 7.148 10.334 1.00 9.21 H new ATOM 0 HG3 GLU A 139 22.815 7.352 8.987 1.00 9.21 H new ATOM 2069 N GLY A 140 17.965 8.171 8.647 1.00 8.06 N ATOM 2070 CA GLY A 140 16.712 8.881 8.507 1.00 8.05 C ATOM 2071 C GLY A 140 15.490 7.989 8.610 1.00 8.05 C ATOM 2072 O GLY A 140 14.599 8.248 9.421 1.00 8.87 O ATOM 0 H GLY A 140 18.055 7.617 9.499 1.00 8.06 H new ATOM 0 HA2 GLY A 140 16.654 9.652 9.275 1.00 8.05 H new ATOM 0 HA3 GLY A 140 16.699 9.390 7.543 1.00 8.05 H new ATOM 2076 N LEU A 141 15.438 6.945 7.793 1.00 7.34 N ATOM 2077 CA LEU A 141 14.282 6.054 7.779 1.00 7.46 C ATOM 2078 C LEU A 141 14.519 4.798 8.604 1.00 8.16 C ATOM 2079 O LEU A 141 15.553 4.649 9.254 1.00 8.50 O ATOM 2080 CB LEU A 141 13.889 5.662 6.353 1.00 6.40 C ATOM 2081 CG LEU A 141 13.106 6.710 5.565 1.00 6.03 C ATOM 2082 CD1 LEU A 141 12.761 6.173 4.185 1.00 5.58 C ATOM 2083 CD2 LEU A 141 11.839 7.112 6.312 1.00 6.58 C ATOM 0 H LEU A 141 16.176 6.694 7.135 1.00 7.34 H new ATOM 0 HA LEU A 141 13.462 6.613 8.230 1.00 7.46 H new ATOM 0 HB2 LEU A 141 14.797 5.423 5.799 1.00 6.40 H new ATOM 0 HB3 LEU A 141 13.294 4.750 6.399 1.00 6.40 H new ATOM 0 HG LEU A 141 13.729 7.597 5.453 1.00 6.03 H new ATOM 0 HD11 LEU A 141 12.203 6.927 3.630 1.00 5.58 H new ATOM 0 HD12 LEU A 141 13.679 5.933 3.648 1.00 5.58 H new ATOM 0 HD13 LEU A 141 12.154 5.273 4.286 1.00 5.58 H new ATOM 0 HD21 LEU A 141 11.297 7.859 5.733 1.00 6.58 H new ATOM 0 HD22 LEU A 141 11.207 6.235 6.455 1.00 6.58 H new ATOM 0 HD23 LEU A 141 12.106 7.529 7.283 1.00 6.58 H new ATOM 2095 N LYS A 142 13.555 3.890 8.553 1.00 8.54 N ATOM 2096 CA LYS A 142 13.624 2.647 9.298 1.00 9.51 C ATOM 2097 C LYS A 142 12.900 1.548 8.541 1.00 9.48 C ATOM 2098 O LYS A 142 11.977 1.803 7.770 1.00 8.97 O ATOM 2099 CB LYS A 142 12.989 2.852 10.671 1.00 10.71 C ATOM 2100 CG LYS A 142 13.007 1.625 11.565 1.00 11.83 C ATOM 2101 CD LYS A 142 12.546 1.936 12.988 1.00 12.89 C ATOM 2102 CE LYS A 142 11.159 2.571 13.037 1.00 13.50 C ATOM 2103 NZ LYS A 142 11.194 4.042 12.813 1.00 14.15 N1+ ATOM 0 H LYS A 142 12.707 3.996 7.996 1.00 8.54 H new ATOM 0 HA LYS A 142 14.666 2.351 9.423 1.00 9.51 H new ATOM 0 HB2 LYS A 142 13.509 3.664 11.180 1.00 10.71 H new ATOM 0 HB3 LYS A 142 11.956 3.171 10.535 1.00 10.71 H new ATOM 0 HG2 LYS A 142 12.363 0.857 11.137 1.00 11.83 H new ATOM 0 HG3 LYS A 142 14.016 1.215 11.594 1.00 11.83 H new ATOM 0 HD2 LYS A 142 12.540 1.016 13.572 1.00 12.89 H new ATOM 0 HD3 LYS A 142 13.264 2.607 13.459 1.00 12.89 H new ATOM 0 HE2 LYS A 142 10.524 2.107 12.282 1.00 13.50 H new ATOM 0 HE3 LYS A 142 10.704 2.366 14.006 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 10.710 4.524 13.597 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 12.182 4.363 12.766 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 10.714 4.268 11.919 1.00 14.15 H new ATOM 2117 N ALA A 143 13.350 0.328 8.772 1.00 10.19 N ATOM 2118 CA ALA A 143 12.843 -0.843 8.077 1.00 10.49 C ATOM 2119 C ALA A 143 11.429 -1.160 8.506 1.00 11.20 C ATOM 2120 O ALA A 143 11.105 -1.116 9.693 1.00 12.12 O ATOM 2121 CB ALA A 143 13.733 -2.033 8.336 1.00 11.37 C ATOM 0 H ALA A 143 14.082 0.120 9.451 1.00 10.19 H new ATOM 0 HA ALA A 143 12.839 -0.623 7.010 1.00 10.49 H new ATOM 0 HB1 ALA A 143 13.340 -2.903 7.809 1.00 11.37 H new ATOM 0 HB2 ALA A 143 14.741 -1.818 7.981 1.00 11.37 H new ATOM 0 HB3 ALA A 143 13.762 -2.240 9.406 1.00 11.37 H new ATOM 2127 N GLY A 144 10.597 -1.494 7.537 1.00 10.88 N ATOM 2128 CA GLY A 144 9.205 -1.746 7.818 1.00 11.54 C ATOM 2129 C GLY A 144 8.349 -0.547 7.493 1.00 10.82 C ATOM 2130 O GLY A 144 7.126 -0.612 7.547 1.00 11.32 O ATOM 0 H GLY A 144 10.862 -1.595 6.557 1.00 10.88 H new ATOM 0 HA2 GLY A 144 8.865 -2.604 7.238 1.00 11.54 H new ATOM 0 HA3 GLY A 144 9.086 -2.005 8.870 1.00 11.54 H new ATOM 2134 N GLN A 145 8.994 0.557 7.153 1.00 9.74 N ATOM 2135 CA GLN A 145 8.293 1.763 6.776 1.00 9.10 C ATOM 2136 C GLN A 145 8.357 1.905 5.272 1.00 8.05 C ATOM 2137 O GLN A 145 9.257 1.362 4.652 1.00 7.35 O ATOM 2138 CB GLN A 145 8.918 2.973 7.461 1.00 8.76 C ATOM 2139 CG GLN A 145 9.117 2.756 8.951 1.00 9.88 C ATOM 2140 CD GLN A 145 7.807 2.719 9.711 1.00 10.75 C ATOM 2141 OE1 GLN A 145 6.835 3.359 9.321 1.00 11.13 O ATOM 2142 NE2 GLN A 145 7.767 1.961 10.789 1.00 11.24 N ATOM 0 H GLN A 145 10.011 0.638 7.132 1.00 9.74 H new ATOM 0 HA GLN A 145 7.251 1.704 7.092 1.00 9.10 H new ATOM 0 HB2 GLN A 145 9.879 3.193 6.997 1.00 8.76 H new ATOM 0 HB3 GLN A 145 8.282 3.844 7.305 1.00 8.76 H new ATOM 0 HG2 GLN A 145 9.653 1.820 9.110 1.00 9.88 H new ATOM 0 HG3 GLN A 145 9.743 3.554 9.351 1.00 9.88 H new ATOM 0 HE21 GLN A 145 8.597 1.444 11.080 1.00 11.24 H new ATOM 0 HE22 GLN A 145 6.906 1.891 11.332 1.00 11.24 H new ATOM 2151 N GLN A 146 7.431 2.611 4.674 1.00 8.12 N ATOM 2152 CA GLN A 146 7.436 2.727 3.225 1.00 7.34 C ATOM 2153 C GLN A 146 7.776 4.137 2.771 1.00 6.41 C ATOM 2154 O GLN A 146 7.776 5.084 3.560 1.00 6.79 O ATOM 2155 CB GLN A 146 6.094 2.325 2.617 1.00 8.14 C ATOM 2156 CG GLN A 146 5.604 0.964 3.059 1.00 9.01 C ATOM 2157 CD GLN A 146 4.170 0.701 2.647 1.00 9.89 C ATOM 2158 OE1 GLN A 146 3.703 1.200 1.626 1.00 10.17 O ATOM 2159 NE2 GLN A 146 3.461 -0.074 3.447 1.00 10.49 N ATOM 0 H GLN A 146 6.677 3.107 5.149 1.00 8.12 H new ATOM 0 HA GLN A 146 8.208 2.042 2.874 1.00 7.34 H new ATOM 0 HB2 GLN A 146 5.347 3.073 2.883 1.00 8.14 H new ATOM 0 HB3 GLN A 146 6.181 2.334 1.531 1.00 8.14 H new ATOM 0 HG2 GLN A 146 6.248 0.194 2.634 1.00 9.01 H new ATOM 0 HG3 GLN A 146 5.687 0.886 4.143 1.00 9.01 H new ATOM 0 HE21 GLN A 146 3.888 -0.468 4.285 1.00 10.49 H new ATOM 0 HE22 GLN A 146 2.486 -0.279 3.227 1.00 10.49 H new ATOM 2168 N VAL A 147 8.073 4.252 1.494 1.00 5.45 N ATOM 2169 CA VAL A 147 8.181 5.533 0.820 1.00 4.76 C ATOM 2170 C VAL A 147 7.468 5.437 -0.526 1.00 4.67 C ATOM 2171 O VAL A 147 7.501 4.391 -1.165 1.00 4.76 O ATOM 2172 CB VAL A 147 9.661 5.975 0.634 1.00 3.89 C ATOM 2173 CG1 VAL A 147 10.556 4.781 0.304 1.00 4.21 C ATOM 2174 CG2 VAL A 147 9.788 7.043 -0.446 1.00 3.49 C ATOM 0 H VAL A 147 8.248 3.452 0.886 1.00 5.45 H new ATOM 0 HA VAL A 147 7.709 6.295 1.439 1.00 4.76 H new ATOM 0 HB VAL A 147 9.993 6.403 1.580 1.00 3.89 H new ATOM 0 HG11 VAL A 147 11.584 5.120 0.180 1.00 4.21 H new ATOM 0 HG12 VAL A 147 10.509 4.056 1.116 1.00 4.21 H new ATOM 0 HG13 VAL A 147 10.214 4.314 -0.620 1.00 4.21 H new ATOM 0 HG21 VAL A 147 10.834 7.331 -0.552 1.00 3.49 H new ATOM 0 HG22 VAL A 147 9.423 6.647 -1.394 1.00 3.49 H new ATOM 0 HG23 VAL A 147 9.198 7.916 -0.166 1.00 3.49 H new ATOM 2184 N VAL A 148 6.769 6.495 -0.922 1.00 4.95 N ATOM 2185 CA VAL A 148 6.104 6.510 -2.221 1.00 5.28 C ATOM 2186 C VAL A 148 7.142 6.675 -3.328 1.00 4.93 C ATOM 2187 O VAL A 148 7.902 7.644 -3.346 1.00 4.74 O ATOM 2188 CB VAL A 148 5.020 7.613 -2.311 1.00 6.08 C ATOM 2189 CG1 VAL A 148 5.583 8.985 -1.974 1.00 6.56 C ATOM 2190 CG2 VAL A 148 4.382 7.627 -3.690 1.00 6.56 C ATOM 0 H VAL A 148 6.648 7.344 -0.370 1.00 4.95 H new ATOM 0 HA VAL A 148 5.591 5.557 -2.347 1.00 5.28 H new ATOM 0 HB VAL A 148 4.254 7.378 -1.572 1.00 6.08 H new ATOM 0 HG11 VAL A 148 4.792 9.731 -2.048 1.00 6.56 H new ATOM 0 HG12 VAL A 148 5.979 8.976 -0.959 1.00 6.56 H new ATOM 0 HG13 VAL A 148 6.382 9.232 -2.673 1.00 6.56 H new ATOM 0 HG21 VAL A 148 3.624 8.409 -3.732 1.00 6.56 H new ATOM 0 HG22 VAL A 148 5.146 7.822 -4.442 1.00 6.56 H new ATOM 0 HG23 VAL A 148 3.918 6.660 -3.886 1.00 6.56 H new ATOM 2200 N VAL A 149 7.190 5.712 -4.240 1.00 5.25 N ATOM 2201 CA VAL A 149 8.292 5.648 -5.190 1.00 5.51 C ATOM 2202 C VAL A 149 7.849 5.883 -6.632 1.00 6.47 C ATOM 2203 O VAL A 149 8.622 6.396 -7.440 1.00 6.99 O ATOM 2204 CB VAL A 149 9.050 4.301 -5.080 1.00 5.65 C ATOM 2205 CG1 VAL A 149 9.286 3.955 -3.623 1.00 5.29 C ATOM 2206 CG2 VAL A 149 8.315 3.162 -5.770 1.00 6.22 C ATOM 0 H VAL A 149 6.491 4.976 -4.341 1.00 5.25 H new ATOM 0 HA VAL A 149 8.967 6.461 -4.922 1.00 5.51 H new ATOM 0 HB VAL A 149 10.005 4.427 -5.590 1.00 5.65 H new ATOM 0 HG11 VAL A 149 9.819 3.007 -3.556 1.00 5.29 H new ATOM 0 HG12 VAL A 149 9.880 4.739 -3.154 1.00 5.29 H new ATOM 0 HG13 VAL A 149 8.328 3.870 -3.110 1.00 5.29 H new ATOM 0 HG21 VAL A 149 8.889 2.241 -5.663 1.00 6.22 H new ATOM 0 HG22 VAL A 149 7.334 3.033 -5.314 1.00 6.22 H new ATOM 0 HG23 VAL A 149 8.195 3.394 -6.828 1.00 6.22 H new ATOM 2234 N GLN A 152 1.601 8.625 -5.832 1.00 8.97 N ATOM 2235 CA GLN A 152 0.672 8.695 -4.715 1.00 9.41 C ATOM 2236 C GLN A 152 -0.738 8.924 -5.238 1.00 9.73 C ATOM 2237 O GLN A 152 -1.502 9.712 -4.685 1.00 9.97 O ATOM 2238 CB GLN A 152 1.081 9.809 -3.742 1.00 10.01 C ATOM 2239 CG GLN A 152 1.424 11.123 -4.425 1.00 10.63 C ATOM 2240 CD GLN A 152 1.792 12.217 -3.444 1.00 11.38 C ATOM 2241 OE1 GLN A 152 1.287 12.262 -2.325 1.00 11.71 O ATOM 2242 NE2 GLN A 152 2.691 13.101 -3.850 1.00 11.84 N ATOM 0 HA GLN A 152 0.697 7.751 -4.171 1.00 9.41 H new ATOM 0 HB2 GLN A 152 0.268 9.978 -3.036 1.00 10.01 H new ATOM 0 HB3 GLN A 152 1.942 9.475 -3.163 1.00 10.01 H new ATOM 0 HG2 GLN A 152 2.255 10.964 -5.113 1.00 10.63 H new ATOM 0 HG3 GLN A 152 0.573 11.449 -5.023 1.00 10.63 H new ATOM 0 HE21 GLN A 152 3.088 13.031 -4.787 1.00 11.84 H new ATOM 0 HE22 GLN A 152 2.986 13.852 -3.226 1.00 11.84 H new ATOM 2251 N PHE A 153 -1.047 8.213 -6.324 1.00 9.95 N ATOM 2252 CA PHE A 153 -2.327 8.313 -7.022 1.00 10.47 C ATOM 2253 C PHE A 153 -2.403 9.622 -7.814 1.00 10.93 C ATOM 2254 O PHE A 153 -1.530 10.480 -7.671 1.00 11.34 O ATOM 2255 CB PHE A 153 -3.510 8.170 -6.049 1.00 10.62 C ATOM 2256 CG PHE A 153 -4.807 7.786 -6.708 1.00 11.04 C ATOM 2257 CD1 PHE A 153 -5.080 6.462 -7.007 1.00 11.27 C ATOM 2258 CD2 PHE A 153 -5.751 8.748 -7.024 1.00 11.41 C ATOM 2259 CE1 PHE A 153 -6.270 6.104 -7.611 1.00 11.87 C ATOM 2260 CE2 PHE A 153 -6.942 8.398 -7.627 1.00 12.02 C ATOM 2261 CZ PHE A 153 -7.203 7.076 -7.921 1.00 12.24 C ATOM 0 H PHE A 153 -0.405 7.543 -6.748 1.00 9.95 H new ATOM 0 HA PHE A 153 -2.395 7.486 -7.729 1.00 10.47 H new ATOM 0 HB2 PHE A 153 -3.260 7.420 -5.299 1.00 10.62 H new ATOM 0 HB3 PHE A 153 -3.649 9.114 -5.522 1.00 10.62 H new ATOM 0 HD1 PHE A 153 -4.354 5.700 -6.765 1.00 11.27 H new ATOM 0 HD2 PHE A 153 -5.553 9.785 -6.796 1.00 11.41 H new ATOM 0 HE1 PHE A 153 -6.471 5.068 -7.840 1.00 11.87 H new ATOM 0 HE2 PHE A 153 -7.669 9.159 -7.869 1.00 12.02 H new ATOM 0 HZ PHE A 153 -8.135 6.801 -8.393 1.00 12.24 H new ATOM 2271 N LEU A 154 -3.406 9.779 -8.659 1.00 11.05 N ATOM 2272 CA LEU A 154 -3.480 10.960 -9.506 1.00 11.63 C ATOM 2273 C LEU A 154 -4.063 12.152 -8.751 1.00 11.39 C ATOM 2274 O LEU A 154 -3.340 13.093 -8.409 1.00 11.57 O ATOM 2275 CB LEU A 154 -4.298 10.677 -10.767 1.00 12.16 C ATOM 2276 CG LEU A 154 -3.803 9.497 -11.608 1.00 12.68 C ATOM 2277 CD1 LEU A 154 -4.706 9.284 -12.811 1.00 13.16 C ATOM 2278 CD2 LEU A 154 -2.366 9.722 -12.055 1.00 13.04 C ATOM 0 H LEU A 154 -4.171 9.115 -8.778 1.00 11.05 H new ATOM 0 HA LEU A 154 -2.462 11.214 -9.802 1.00 11.63 H new ATOM 0 HB2 LEU A 154 -5.332 10.489 -10.477 1.00 12.16 H new ATOM 0 HB3 LEU A 154 -4.300 11.572 -11.389 1.00 12.16 H new ATOM 0 HG LEU A 154 -3.834 8.600 -10.990 1.00 12.68 H new ATOM 0 HD11 LEU A 154 -4.339 8.441 -13.397 1.00 13.16 H new ATOM 0 HD12 LEU A 154 -5.721 9.075 -12.472 1.00 13.16 H new ATOM 0 HD13 LEU A 154 -4.707 10.182 -13.429 1.00 13.16 H new ATOM 0 HD21 LEU A 154 -2.033 8.872 -12.651 1.00 13.04 H new ATOM 0 HD22 LEU A 154 -2.310 10.630 -12.655 1.00 13.04 H new ATOM 0 HD23 LEU A 154 -1.725 9.825 -11.180 1.00 13.04 H new ATOM 2290 N ILE A 155 -5.359 12.104 -8.476 1.00 11.17 N ATOM 2291 CA ILE A 155 -6.023 13.189 -7.770 1.00 11.08 C ATOM 2292 C ILE A 155 -6.573 12.715 -6.427 1.00 10.31 C ATOM 2293 O ILE A 155 -6.937 11.548 -6.259 1.00 9.93 O ATOM 2294 CB ILE A 155 -7.143 13.828 -8.628 1.00 11.39 C ATOM 2295 CG1 ILE A 155 -7.959 12.772 -9.389 1.00 11.61 C ATOM 2296 CG2 ILE A 155 -6.547 14.833 -9.601 1.00 11.66 C ATOM 2297 CD1 ILE A 155 -8.959 12.027 -8.536 1.00 11.95 C ATOM 0 H ILE A 155 -5.969 11.327 -8.730 1.00 11.17 H new ATOM 0 HA ILE A 155 -5.274 13.958 -7.579 1.00 11.08 H new ATOM 0 HB ILE A 155 -7.825 14.341 -7.949 1.00 11.39 H new ATOM 0 HG12 ILE A 155 -8.489 13.259 -10.208 1.00 11.61 H new ATOM 0 HG13 ILE A 155 -7.273 12.053 -9.837 1.00 11.61 H new ATOM 0 HG21 ILE A 155 -7.343 15.276 -10.199 1.00 11.66 H new ATOM 0 HG22 ILE A 155 -6.032 15.616 -9.045 1.00 11.66 H new ATOM 0 HG23 ILE A 155 -5.838 14.328 -10.257 1.00 11.66 H new ATOM 0 HD11 ILE A 155 -9.492 11.301 -9.150 1.00 11.95 H new ATOM 0 HD12 ILE A 155 -8.437 11.508 -7.732 1.00 11.95 H new ATOM 0 HD13 ILE A 155 -9.671 12.733 -8.109 1.00 11.95 H new ATOM 2309 N ASP A 156 -6.621 13.633 -5.468 1.00 10.31 N ATOM 2310 CA ASP A 156 -6.964 13.294 -4.090 1.00 9.81 C ATOM 2311 C ASP A 156 -8.445 12.965 -3.936 1.00 9.63 C ATOM 2312 O ASP A 156 -8.839 12.345 -2.948 1.00 9.09 O ATOM 2313 CB ASP A 156 -6.582 14.435 -3.133 1.00 10.26 C ATOM 2314 CG ASP A 156 -7.540 15.612 -3.192 1.00 10.68 C ATOM 2315 OD1 ASP A 156 -7.406 16.457 -4.101 1.00 11.22 O ATOM 2316 OD2 ASP A 156 -8.433 15.701 -2.322 1.00 10.64 O1- ATOM 0 H ASP A 156 -6.426 14.623 -5.620 1.00 10.31 H new ATOM 0 HA ASP A 156 -6.391 12.403 -3.831 1.00 9.81 H new ATOM 0 HB2 ASP A 156 -6.552 14.050 -2.114 1.00 10.26 H new ATOM 0 HB3 ASP A 156 -5.577 14.781 -3.373 1.00 10.26 H new ATOM 2321 N SER A 157 -9.262 13.363 -4.904 1.00 10.26 N ATOM 2322 CA SER A 157 -10.701 13.143 -4.811 1.00 10.38 C ATOM 2323 C SER A 157 -11.030 11.654 -4.766 1.00 9.63 C ATOM 2324 O SER A 157 -11.728 11.195 -3.860 1.00 9.37 O ATOM 2325 CB SER A 157 -11.427 13.808 -5.979 1.00 11.42 C ATOM 2326 OG SER A 157 -10.998 15.150 -6.147 1.00 11.90 O ATOM 0 H SER A 157 -8.957 13.835 -5.755 1.00 10.26 H new ATOM 0 HA SER A 157 -11.045 13.597 -3.881 1.00 10.38 H new ATOM 0 HB2 SER A 157 -11.242 13.246 -6.894 1.00 11.42 H new ATOM 0 HB3 SER A 157 -12.503 13.786 -5.803 1.00 11.42 H new ATOM 0 HG SER A 157 -11.475 15.554 -6.901 1.00 11.90 H new ATOM 2332 N GLU A 158 -10.522 10.895 -5.718 1.00 9.47 N ATOM 2333 CA GLU A 158 -10.728 9.454 -5.704 1.00 9.00 C ATOM 2334 C GLU A 158 -9.796 8.809 -4.687 1.00 8.03 C ATOM 2335 O GLU A 158 -10.161 7.811 -4.060 1.00 7.69 O ATOM 2336 CB GLU A 158 -10.515 8.853 -7.095 1.00 9.38 C ATOM 2337 CG GLU A 158 -11.477 9.392 -8.142 1.00 10.19 C ATOM 2338 CD GLU A 158 -11.219 8.817 -9.519 1.00 10.79 C ATOM 2339 OE1 GLU A 158 -10.228 9.221 -10.159 1.00 11.17 O1- ATOM 2340 OE2 GLU A 158 -12.004 7.957 -9.968 1.00 11.06 O ATOM 0 H GLU A 158 -9.970 11.243 -6.502 1.00 9.47 H new ATOM 0 HA GLU A 158 -11.759 9.253 -5.414 1.00 9.00 H new ATOM 0 HB2 GLU A 158 -9.492 9.052 -7.416 1.00 9.38 H new ATOM 0 HB3 GLU A 158 -10.625 7.770 -7.035 1.00 9.38 H new ATOM 0 HG2 GLU A 158 -12.500 9.164 -7.842 1.00 10.19 H new ATOM 0 HG3 GLU A 158 -11.392 10.478 -8.184 1.00 10.19 H new ATOM 2347 N ALA A 159 -8.609 9.382 -4.512 1.00 7.82 N ATOM 2348 CA ALA A 159 -7.614 8.833 -3.589 1.00 7.20 C ATOM 2349 C ALA A 159 -8.215 8.562 -2.214 1.00 7.12 C ATOM 2350 O ALA A 159 -8.128 7.447 -1.701 1.00 6.81 O ATOM 2351 CB ALA A 159 -6.432 9.781 -3.463 1.00 7.44 C ATOM 0 H ALA A 159 -8.310 10.228 -4.997 1.00 7.82 H new ATOM 0 HA ALA A 159 -7.271 7.883 -3.999 1.00 7.20 H new ATOM 0 HB1 ALA A 159 -5.700 9.360 -2.774 1.00 7.44 H new ATOM 0 HB2 ALA A 159 -5.971 9.920 -4.441 1.00 7.44 H new ATOM 0 HB3 ALA A 159 -6.776 10.743 -3.084 1.00 7.44 H new ATOM 2357 N SER A 160 -8.859 9.575 -1.649 1.00 7.72 N ATOM 2358 CA SER A 160 -9.435 9.482 -0.313 1.00 8.04 C ATOM 2359 C SER A 160 -10.525 8.411 -0.231 1.00 7.99 C ATOM 2360 O SER A 160 -10.738 7.801 0.814 1.00 8.08 O ATOM 2361 CB SER A 160 -9.993 10.847 0.092 1.00 8.99 C ATOM 2362 OG SER A 160 -10.739 11.428 -0.965 1.00 9.64 O ATOM 0 H SER A 160 -8.997 10.479 -2.100 1.00 7.72 H new ATOM 0 HA SER A 160 -8.646 9.185 0.378 1.00 8.04 H new ATOM 0 HB2 SER A 160 -10.627 10.737 0.972 1.00 8.99 H new ATOM 0 HB3 SER A 160 -9.174 11.510 0.370 1.00 8.99 H new ATOM 0 HG SER A 160 -10.130 11.879 -1.586 1.00 9.64 H new ATOM 2368 N LEU A 161 -11.210 8.184 -1.352 1.00 8.10 N ATOM 2369 CA LEU A 161 -12.353 7.285 -1.386 1.00 8.40 C ATOM 2370 C LEU A 161 -11.940 5.836 -1.628 1.00 7.89 C ATOM 2371 O LEU A 161 -12.533 4.922 -1.061 1.00 8.18 O ATOM 2372 CB LEU A 161 -13.339 7.724 -2.467 1.00 9.04 C ATOM 2373 CG LEU A 161 -13.952 9.114 -2.278 1.00 9.80 C ATOM 2374 CD1 LEU A 161 -14.884 9.442 -3.434 1.00 10.57 C ATOM 2375 CD2 LEU A 161 -14.699 9.197 -0.955 1.00 10.37 C ATOM 0 H LEU A 161 -10.988 8.615 -2.250 1.00 8.10 H new ATOM 0 HA LEU A 161 -12.830 7.336 -0.407 1.00 8.40 H new ATOM 0 HB2 LEU A 161 -12.829 7.699 -3.430 1.00 9.04 H new ATOM 0 HB3 LEU A 161 -14.147 6.994 -2.515 1.00 9.04 H new ATOM 0 HG LEU A 161 -13.145 9.846 -2.262 1.00 9.80 H new ATOM 0 HD11 LEU A 161 -15.312 10.433 -3.286 1.00 10.57 H new ATOM 0 HD12 LEU A 161 -14.324 9.425 -4.369 1.00 10.57 H new ATOM 0 HD13 LEU A 161 -15.685 8.703 -3.477 1.00 10.57 H new ATOM 0 HD21 LEU A 161 -15.127 10.193 -0.841 1.00 10.37 H new ATOM 0 HD22 LEU A 161 -15.498 8.455 -0.941 1.00 10.37 H new ATOM 0 HD23 LEU A 161 -14.008 9.002 -0.134 1.00 10.37 H new ATOM 2387 N ARG A 162 -10.954 5.613 -2.484 1.00 7.38 N ATOM 2388 CA ARG A 162 -10.484 4.258 -2.747 1.00 7.17 C ATOM 2389 C ARG A 162 -9.372 3.863 -1.785 1.00 6.87 C ATOM 2390 O ARG A 162 -9.181 2.682 -1.488 1.00 6.95 O ATOM 2391 CB ARG A 162 -10.014 4.112 -4.196 1.00 7.15 C ATOM 2392 CG ARG A 162 -11.157 4.091 -5.197 1.00 7.34 C ATOM 2393 CD ARG A 162 -11.675 5.481 -5.508 1.00 7.40 C ATOM 2394 NE ARG A 162 -12.930 5.440 -6.257 1.00 7.84 N ATOM 2395 CZ ARG A 162 -13.015 5.562 -7.582 1.00 8.24 C ATOM 2396 NH1 ARG A 162 -11.918 5.650 -8.320 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 -14.204 5.562 -8.169 1.00 8.90 N ATOM 0 H ARG A 162 -10.467 6.343 -3.004 1.00 7.38 H new ATOM 0 HA ARG A 162 -11.325 3.583 -2.589 1.00 7.17 H new ATOM 0 HB2 ARG A 162 -9.343 4.936 -4.438 1.00 7.15 H new ATOM 0 HB3 ARG A 162 -9.438 3.192 -4.293 1.00 7.15 H new ATOM 0 HG2 ARG A 162 -10.821 3.616 -6.119 1.00 7.34 H new ATOM 0 HG3 ARG A 162 -11.971 3.482 -4.803 1.00 7.34 H new ATOM 0 HD2 ARG A 162 -11.825 6.029 -4.578 1.00 7.40 H new ATOM 0 HD3 ARG A 162 -10.927 6.027 -6.083 1.00 7.40 H new ATOM 0 HE ARG A 162 -13.795 5.310 -5.733 1.00 7.84 H new ATOM 0 HH11 ARG A 162 -11.001 5.625 -7.875 1.00 8.25 H new ATOM 0 HH12 ARG A 162 -11.991 5.743 -9.333 1.00 8.25 H new ATOM 0 HH21 ARG A 162 -15.050 5.469 -7.607 1.00 8.90 H new ATOM 0 HH22 ARG A 162 -14.272 5.655 -9.182 1.00 8.90 H new ATOM 2411 N GLY A 163 -8.644 4.853 -1.298 1.00 6.89 N ATOM 2412 CA GLY A 163 -7.594 4.598 -0.337 1.00 7.01 C ATOM 2413 C GLY A 163 -8.113 4.661 1.083 1.00 6.68 C ATOM 2414 O GLY A 163 -7.407 4.284 2.018 1.00 7.15 O ATOM 0 H GLY A 163 -8.762 5.834 -1.552 1.00 6.89 H new ATOM 0 HA2 GLY A 163 -7.160 3.616 -0.523 1.00 7.01 H new ATOM 0 HA3 GLY A 163 -6.796 5.329 -0.466 1.00 7.01 H new ATOM 2418 N THR A 164 -9.364 5.109 1.220 1.00 6.17 N ATOM 2419 CA THR A 164 -10.050 5.279 2.510 1.00 6.16 C ATOM 2420 C THR A 164 -9.277 6.181 3.484 1.00 6.65 C ATOM 2421 O THR A 164 -9.610 7.357 3.639 1.00 7.09 O ATOM 2422 CB THR A 164 -10.420 3.928 3.180 1.00 6.38 C ATOM 2423 OG1 THR A 164 -9.331 2.999 3.121 1.00 6.86 O ATOM 2424 CG2 THR A 164 -11.644 3.319 2.510 1.00 6.23 C ATOM 0 H THR A 164 -9.943 5.370 0.422 1.00 6.17 H new ATOM 0 HA THR A 164 -10.984 5.788 2.269 1.00 6.16 H new ATOM 0 HB THR A 164 -10.643 4.133 4.227 1.00 6.38 H new ATOM 0 HG1 THR A 164 -8.484 3.490 3.077 1.00 6.86 H new ATOM 0 HG21 THR A 164 -11.889 2.373 2.992 1.00 6.23 H new ATOM 0 HG22 THR A 164 -12.488 4.003 2.603 1.00 6.23 H new ATOM 0 HG23 THR A 164 -11.432 3.145 1.455 1.00 6.23 H new ATOM 2432 N VAL A 165 -8.252 5.648 4.133 1.00 6.89 N ATOM 2433 CA VAL A 165 -7.452 6.431 5.064 1.00 7.69 C ATOM 2434 C VAL A 165 -6.366 7.201 4.314 1.00 7.93 C ATOM 2435 O VAL A 165 -5.189 6.851 4.362 1.00 8.39 O ATOM 2436 CB VAL A 165 -6.803 5.544 6.149 1.00 8.39 C ATOM 2437 CG1 VAL A 165 -6.184 6.394 7.248 1.00 9.20 C ATOM 2438 CG2 VAL A 165 -7.821 4.583 6.734 1.00 8.56 C ATOM 0 H VAL A 165 -7.955 4.677 4.032 1.00 6.89 H new ATOM 0 HA VAL A 165 -8.123 7.133 5.558 1.00 7.69 H new ATOM 0 HB VAL A 165 -6.009 4.964 5.678 1.00 8.39 H new ATOM 0 HG11 VAL A 165 -5.734 5.745 8.000 1.00 9.20 H new ATOM 0 HG12 VAL A 165 -5.418 7.040 6.820 1.00 9.20 H new ATOM 0 HG13 VAL A 165 -6.957 7.006 7.713 1.00 9.20 H new ATOM 0 HG21 VAL A 165 -7.344 3.967 7.496 1.00 8.56 H new ATOM 0 HG22 VAL A 165 -8.638 5.148 7.183 1.00 8.56 H new ATOM 0 HG23 VAL A 165 -8.213 3.943 5.944 1.00 8.56 H new ATOM 2448 N ALA A 166 -6.778 8.237 3.596 1.00 7.88 N ATOM 2449 CA ALA A 166 -5.844 9.095 2.885 1.00 8.33 C ATOM 2450 C ALA A 166 -6.202 10.558 3.102 1.00 8.94 C ATOM 2451 O ALA A 166 -7.272 11.014 2.697 1.00 9.11 O ATOM 2452 CB ALA A 166 -5.823 8.762 1.401 1.00 8.31 C ATOM 0 H ALA A 166 -7.757 8.503 3.491 1.00 7.88 H new ATOM 0 HA ALA A 166 -4.845 8.919 3.283 1.00 8.33 H new ATOM 0 HB1 ALA A 166 -5.117 9.417 0.891 1.00 8.31 H new ATOM 0 HB2 ALA A 166 -5.518 7.724 1.265 1.00 8.31 H new ATOM 0 HB3 ALA A 166 -6.819 8.905 0.982 1.00 8.31 H new