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 173:sc= 0.012 USER MOD Set 1.2: A 146 GLN : amide:sc= -0.467 X(o=-0.46,f=-0.45) USER MOD Set 2.1: A 99 SER OG : rot -60:sc= 0.529 USER MOD Set 2.2: A 130 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 135 SER OG : rot -177:sc= -0.49 USER MOD Set 3.1: A 34 MET CE :methyl -153:sc= -2.43 (180deg=-3.9!) USER MOD Set 3.2: A 51 MET CE :methyl -151:sc= -0.102 (180deg=-0.924) USER MOD Set 4.1: A 46 SER OG : rot 20:sc= 0.541 USER MOD Set 4.2: A 49 MET CE :methyl -165:sc= -7.57! (180deg=-10.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -5.48! C(o=-5.5!,f=-11!) USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= 1.2 (180deg=0.832) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00256) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.925 USER MOD Single : A 85 LYS NZ :NH3+ -150:sc= 0.79 (180deg=0.161) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 90:sc= -1.66! USER MOD Single : A 112 MET CE :methyl -116:sc= -0.222 (180deg=-2.67!) USER MOD Single : A 115 LYS NZ :NH3+ -161:sc= 0.831 (180deg=0.545) USER MOD Single : A 126 LYS NZ :NH3+ 167:sc= -0.343! (180deg=-1.17!) USER MOD Single : A 134 GLN : amide:sc= -0.364 K(o=-0.36,f=-2) USER MOD Single : A 142 LYS NZ :NH3+ -158:sc= -0.105 (180deg=-0.615) USER MOD Single : A 145 GLN : amide:sc= -4.34! C(o=-4.3!,f=-3.9!) USER MOD Single : A 152 GLN : amide:sc= -0.0657 K(o=-0.066,f=-0.65) USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD Single : A 160 SER OG : rot 79:sc= 0.257 USER MOD Single : A 164 THR OG1 : rot -110:sc= 1.5 USER MOD ----------------------------------------------------------------- ATOM 308 N LYS A 25 -9.541 -3.892 -6.948 1.00 8.70 N ATOM 309 CA LYS A 25 -10.849 -4.278 -6.458 1.00 8.11 C ATOM 310 C LYS A 25 -10.722 -4.863 -5.056 1.00 7.19 C ATOM 311 O LYS A 25 -10.949 -6.046 -4.812 1.00 6.94 O ATOM 312 CB LYS A 25 -11.538 -5.252 -7.433 1.00 8.62 C ATOM 313 CG LYS A 25 -10.852 -6.603 -7.603 1.00 9.02 C ATOM 314 CD LYS A 25 -9.644 -6.509 -8.509 1.00 9.74 C ATOM 315 CE LYS A 25 -8.906 -7.834 -8.595 1.00 10.22 C ATOM 316 NZ LYS A 25 -7.665 -7.726 -9.404 1.00 10.38 N1+ ATOM 0 HA LYS A 25 -11.484 -3.394 -6.398 1.00 8.11 H new ATOM 0 HB2 LYS A 25 -12.558 -5.423 -7.089 1.00 8.62 H new ATOM 0 HB3 LYS A 25 -11.607 -4.773 -8.410 1.00 8.62 H new ATOM 0 HG2 LYS A 25 -10.546 -6.981 -6.627 1.00 9.02 H new ATOM 0 HG3 LYS A 25 -11.561 -7.321 -8.015 1.00 9.02 H new ATOM 0 HD2 LYS A 25 -9.959 -6.202 -9.506 1.00 9.74 H new ATOM 0 HD3 LYS A 25 -8.968 -5.739 -8.137 1.00 9.74 H new ATOM 0 HE2 LYS A 25 -8.656 -8.176 -7.591 1.00 10.22 H new ATOM 0 HE3 LYS A 25 -9.561 -8.586 -9.034 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 -7.191 -8.651 -9.438 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 -7.905 -7.424 -10.370 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 -7.028 -7.027 -8.971 1.00 10.38 H new ATOM 330 N ARG A 26 -10.333 -4.001 -4.142 1.00 6.90 N ATOM 331 CA ARG A 26 -10.178 -4.358 -2.747 1.00 6.23 C ATOM 332 C ARG A 26 -10.940 -3.350 -1.913 1.00 5.83 C ATOM 333 O ARG A 26 -10.927 -2.155 -2.212 1.00 6.27 O ATOM 334 CB ARG A 26 -8.694 -4.359 -2.385 1.00 6.68 C ATOM 335 CG ARG A 26 -8.070 -2.975 -2.380 1.00 7.16 C ATOM 336 CD ARG A 26 -7.971 -2.413 -0.966 1.00 7.38 C ATOM 337 NE ARG A 26 -7.047 -3.193 -0.149 1.00 7.54 N ATOM 338 CZ ARG A 26 -7.115 -3.319 1.177 1.00 7.99 C ATOM 339 NH1 ARG A 26 -8.118 -2.786 1.867 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 -6.180 -4.009 1.812 1.00 8.37 N ATOM 0 H ARG A 26 -10.114 -3.026 -4.346 1.00 6.90 H new ATOM 0 HA ARG A 26 -10.573 -5.356 -2.555 1.00 6.23 H new ATOM 0 HB2 ARG A 26 -8.569 -4.809 -1.400 1.00 6.68 H new ATOM 0 HB3 ARG A 26 -8.156 -4.989 -3.094 1.00 6.68 H new ATOM 0 HG2 ARG A 26 -7.076 -3.021 -2.825 1.00 7.16 H new ATOM 0 HG3 ARG A 26 -8.665 -2.304 -2.999 1.00 7.16 H new ATOM 0 HD2 ARG A 26 -7.637 -1.376 -1.007 1.00 7.38 H new ATOM 0 HD3 ARG A 26 -8.958 -2.412 -0.503 1.00 7.38 H new ATOM 0 HE ARG A 26 -6.290 -3.680 -0.629 1.00 7.54 H new ATOM 0 HH11 ARG A 26 -8.853 -2.270 1.383 1.00 8.33 H new ATOM 0 HH12 ARG A 26 -8.153 -2.893 2.881 1.00 8.33 H new ATOM 0 HH21 ARG A 26 -5.418 -4.438 1.287 1.00 8.37 H new ATOM 0 HH22 ARG A 26 -6.222 -4.112 2.826 1.00 8.37 H new ATOM 354 N ILE A 27 -11.613 -3.842 -0.883 1.00 5.15 N ATOM 355 CA ILE A 27 -12.508 -3.020 -0.085 1.00 4.81 C ATOM 356 C ILE A 27 -11.870 -1.731 0.358 1.00 5.34 C ATOM 357 O ILE A 27 -10.875 -1.712 1.086 1.00 5.76 O ATOM 358 CB ILE A 27 -13.047 -3.770 1.141 1.00 4.32 C ATOM 359 CG1 ILE A 27 -14.022 -4.847 0.698 1.00 4.09 C ATOM 360 CG2 ILE A 27 -13.714 -2.811 2.109 1.00 4.22 C ATOM 361 CD1 ILE A 27 -15.204 -4.315 -0.077 1.00 4.18 C ATOM 0 H ILE A 27 -11.555 -4.814 -0.579 1.00 5.15 H new ATOM 0 HA ILE A 27 -13.342 -2.781 -0.744 1.00 4.81 H new ATOM 0 HB ILE A 27 -12.211 -4.241 1.659 1.00 4.32 H new ATOM 0 HG12 ILE A 27 -13.492 -5.573 0.082 1.00 4.09 H new ATOM 0 HG13 ILE A 27 -14.385 -5.380 1.577 1.00 4.09 H new ATOM 0 HG21 ILE A 27 -14.088 -3.365 2.970 1.00 4.22 H new ATOM 0 HG22 ILE A 27 -12.989 -2.068 2.442 1.00 4.22 H new ATOM 0 HG23 ILE A 27 -14.544 -2.310 1.611 1.00 4.22 H new ATOM 0 HD11 ILE A 27 -15.856 -5.142 -0.359 1.00 4.18 H new ATOM 0 HD12 ILE A 27 -15.759 -3.611 0.543 1.00 4.18 H new ATOM 0 HD13 ILE A 27 -14.852 -3.808 -0.975 1.00 4.18 H new ATOM 373 N LEU A 28 -12.477 -0.665 -0.107 1.00 5.52 N ATOM 374 CA LEU A 28 -12.029 0.670 0.186 1.00 6.20 C ATOM 375 C LEU A 28 -12.913 1.290 1.259 1.00 6.05 C ATOM 376 O LEU A 28 -12.442 2.050 2.102 1.00 6.59 O ATOM 377 CB LEU A 28 -12.077 1.494 -1.097 1.00 6.86 C ATOM 378 CG LEU A 28 -11.236 2.775 -1.097 1.00 7.51 C ATOM 379 CD1 LEU A 28 -9.770 2.457 -0.850 1.00 8.22 C ATOM 380 CD2 LEU A 28 -11.402 3.515 -2.414 1.00 7.71 C ATOM 0 H LEU A 28 -13.303 -0.703 -0.704 1.00 5.52 H new ATOM 0 HA LEU A 28 -11.006 0.649 0.562 1.00 6.20 H new ATOM 0 HB2 LEU A 28 -11.747 0.865 -1.923 1.00 6.86 H new ATOM 0 HB3 LEU A 28 -13.115 1.763 -1.296 1.00 6.86 H new ATOM 0 HG LEU A 28 -11.588 3.416 -0.289 1.00 7.51 H new ATOM 0 HD11 LEU A 28 -9.192 3.381 -0.854 1.00 8.22 H new ATOM 0 HD12 LEU A 28 -9.662 1.966 0.117 1.00 8.22 H new ATOM 0 HD13 LEU A 28 -9.404 1.796 -1.636 1.00 8.22 H new ATOM 0 HD21 LEU A 28 -10.799 4.423 -2.400 1.00 7.71 H new ATOM 0 HD22 LEU A 28 -11.076 2.876 -3.234 1.00 7.71 H new ATOM 0 HD23 LEU A 28 -12.450 3.778 -2.554 1.00 7.71 H new ATOM 392 N TYR A 29 -14.196 0.929 1.228 1.00 5.47 N ATOM 393 CA TYR A 29 -15.180 1.454 2.167 1.00 5.43 C ATOM 394 C TYR A 29 -16.547 0.846 1.879 1.00 4.86 C ATOM 395 O TYR A 29 -16.689 -0.011 1.001 1.00 4.58 O ATOM 396 CB TYR A 29 -15.258 2.980 2.066 1.00 6.20 C ATOM 397 CG TYR A 29 -15.976 3.482 0.830 1.00 6.41 C ATOM 398 CD1 TYR A 29 -15.546 3.128 -0.438 1.00 6.76 C ATOM 399 CD2 TYR A 29 -17.090 4.295 0.938 1.00 6.48 C ATOM 400 CE1 TYR A 29 -16.203 3.574 -1.567 1.00 7.24 C ATOM 401 CE2 TYR A 29 -17.756 4.745 -0.185 1.00 6.91 C ATOM 402 CZ TYR A 29 -17.309 4.383 -1.436 1.00 7.33 C ATOM 403 OH TYR A 29 -17.970 4.835 -2.556 1.00 7.99 O ATOM 0 H TYR A 29 -14.579 0.267 0.553 1.00 5.47 H new ATOM 0 HA TYR A 29 -14.873 1.187 3.178 1.00 5.43 H new ATOM 0 HB2 TYR A 29 -15.765 3.366 2.950 1.00 6.20 H new ATOM 0 HB3 TYR A 29 -14.247 3.386 2.076 1.00 6.20 H new ATOM 0 HD1 TYR A 29 -14.680 2.491 -0.545 1.00 6.76 H new ATOM 0 HD2 TYR A 29 -17.445 4.583 1.917 1.00 6.48 H new ATOM 0 HE1 TYR A 29 -15.851 3.290 -2.548 1.00 7.24 H new ATOM 0 HE2 TYR A 29 -18.624 5.379 -0.082 1.00 6.91 H new ATOM 0 HH TYR A 29 -18.729 5.393 -2.285 1.00 7.99 H new ATOM 413 N TRP A 30 -17.537 1.289 2.639 1.00 4.95 N ATOM 414 CA TRP A 30 -18.905 0.813 2.508 1.00 4.73 C ATOM 415 C TRP A 30 -19.816 1.945 2.093 1.00 5.18 C ATOM 416 O TRP A 30 -19.596 3.094 2.459 1.00 5.61 O ATOM 417 CB TRP A 30 -19.386 0.241 3.834 1.00 4.74 C ATOM 418 CG TRP A 30 -19.264 -1.245 3.907 1.00 4.48 C ATOM 419 CD1 TRP A 30 -20.271 -2.159 3.803 1.00 4.66 C ATOM 420 CD2 TRP A 30 -18.065 -1.989 4.090 1.00 4.33 C ATOM 421 NE1 TRP A 30 -19.765 -3.429 3.926 1.00 4.65 N ATOM 422 CE2 TRP A 30 -18.412 -3.349 4.102 1.00 4.37 C ATOM 423 CE3 TRP A 30 -16.729 -1.633 4.249 1.00 4.46 C ATOM 424 CZ2 TRP A 30 -17.469 -4.353 4.271 1.00 4.41 C ATOM 425 CZ3 TRP A 30 -15.795 -2.628 4.417 1.00 4.49 C ATOM 426 CH2 TRP A 30 -16.165 -3.974 4.426 1.00 4.40 C ATOM 0 H TRP A 30 -17.413 1.992 3.367 1.00 4.95 H new ATOM 0 HA TRP A 30 -18.929 0.035 1.745 1.00 4.73 H new ATOM 0 HB2 TRP A 30 -18.812 0.687 4.646 1.00 4.74 H new ATOM 0 HB3 TRP A 30 -20.428 0.523 3.988 1.00 4.74 H new ATOM 0 HD1 TRP A 30 -21.312 -1.919 3.647 1.00 4.66 H new ATOM 0 HE1 TRP A 30 -20.309 -4.291 3.892 1.00 4.65 H new ATOM 0 HE3 TRP A 30 -16.431 -0.595 4.241 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 -17.755 -5.394 4.280 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 -14.756 -2.363 4.544 1.00 4.49 H new ATOM 0 HH2 TRP A 30 -15.406 -4.731 4.558 1.00 4.40 H new ATOM 437 N ARG A 31 -20.829 1.597 1.327 1.00 5.31 N ATOM 438 CA ARG A 31 -21.761 2.552 0.771 1.00 5.89 C ATOM 439 C ARG A 31 -23.170 1.976 0.767 1.00 6.18 C ATOM 440 O ARG A 31 -23.345 0.765 0.643 1.00 6.15 O ATOM 441 CB ARG A 31 -21.364 2.893 -0.667 1.00 6.39 C ATOM 442 CG ARG A 31 -21.402 1.681 -1.583 1.00 6.58 C ATOM 443 CD ARG A 31 -20.761 1.936 -2.935 1.00 7.25 C ATOM 444 NE ARG A 31 -21.007 0.811 -3.840 1.00 7.68 N ATOM 445 CZ ARG A 31 -20.269 0.513 -4.909 1.00 8.49 C ATOM 446 NH1 ARG A 31 -19.245 1.278 -5.265 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 -20.571 -0.558 -5.628 1.00 9.06 N ATOM 0 H ARG A 31 -21.030 0.630 1.071 1.00 5.31 H new ATOM 0 HA ARG A 31 -21.737 3.452 1.386 1.00 5.89 H new ATOM 0 HB2 ARG A 31 -22.036 3.659 -1.054 1.00 6.39 H new ATOM 0 HB3 ARG A 31 -20.360 3.318 -0.673 1.00 6.39 H new ATOM 0 HG2 ARG A 31 -20.892 0.849 -1.097 1.00 6.58 H new ATOM 0 HG3 ARG A 31 -22.438 1.377 -1.730 1.00 6.58 H new ATOM 0 HD2 ARG A 31 -21.162 2.853 -3.367 1.00 7.25 H new ATOM 0 HD3 ARG A 31 -19.688 2.084 -2.813 1.00 7.25 H new ATOM 0 HE ARG A 31 -21.805 0.209 -3.636 1.00 7.68 H new ATOM 0 HH11 ARG A 31 -19.013 2.107 -4.718 1.00 8.90 H new ATOM 0 HH12 ARG A 31 -18.689 1.037 -6.086 1.00 8.90 H new ATOM 0 HH21 ARG A 31 -21.361 -1.145 -5.361 1.00 9.06 H new ATOM 0 HH22 ARG A 31 -20.013 -0.796 -6.448 1.00 9.06 H new ATOM 461 N ASP A 32 -24.172 2.822 0.887 1.00 6.64 N ATOM 462 CA ASP A 32 -25.540 2.372 0.686 1.00 7.19 C ATOM 463 C ASP A 32 -25.901 2.593 -0.773 1.00 7.82 C ATOM 464 O ASP A 32 -25.565 3.626 -1.350 1.00 8.07 O ATOM 465 CB ASP A 32 -26.522 3.131 1.584 1.00 7.56 C ATOM 466 CG ASP A 32 -27.867 2.439 1.705 1.00 7.94 C ATOM 467 OD1 ASP A 32 -28.700 2.562 0.783 1.00 8.31 O1- ATOM 468 OD2 ASP A 32 -28.109 1.787 2.731 1.00 8.10 O ATOM 0 H ASP A 32 -24.072 3.810 1.119 1.00 6.64 H new ATOM 0 HA ASP A 32 -25.609 1.316 0.948 1.00 7.19 H new ATOM 0 HB2 ASP A 32 -26.086 3.243 2.577 1.00 7.56 H new ATOM 0 HB3 ASP A 32 -26.670 4.135 1.185 1.00 7.56 H new ATOM 473 N PRO A 33 -26.553 1.618 -1.405 1.00 8.28 N ATOM 474 CA PRO A 33 -26.998 1.752 -2.791 1.00 9.11 C ATOM 475 C PRO A 33 -28.013 2.886 -2.966 1.00 9.74 C ATOM 476 O PRO A 33 -28.309 3.293 -4.089 1.00 10.41 O ATOM 477 CB PRO A 33 -27.640 0.400 -3.117 1.00 9.60 C ATOM 478 CG PRO A 33 -27.221 -0.533 -2.026 1.00 8.98 C ATOM 479 CD PRO A 33 -26.876 0.308 -0.832 1.00 8.23 C ATOM 0 HA PRO A 33 -26.169 2.002 -3.453 1.00 9.11 H new ATOM 0 HB2 PRO A 33 -28.726 0.485 -3.161 1.00 9.60 H new ATOM 0 HB3 PRO A 33 -27.309 0.036 -4.090 1.00 9.60 H new ATOM 0 HG2 PRO A 33 -28.024 -1.230 -1.787 1.00 8.98 H new ATOM 0 HG3 PRO A 33 -26.363 -1.129 -2.338 1.00 8.98 H new ATOM 0 HD2 PRO A 33 -27.711 0.372 -0.134 1.00 8.23 H new ATOM 0 HD3 PRO A 33 -26.031 -0.107 -0.282 1.00 8.23 H new ATOM 487 N MET A 34 -28.546 3.391 -1.855 1.00 9.60 N ATOM 488 CA MET A 34 -29.452 4.535 -1.892 1.00 10.19 C ATOM 489 C MET A 34 -28.731 5.829 -1.544 1.00 9.99 C ATOM 490 O MET A 34 -29.343 6.900 -1.530 1.00 10.53 O ATOM 491 CB MET A 34 -30.625 4.364 -0.924 1.00 10.40 C ATOM 492 CG MET A 34 -31.740 3.456 -1.414 1.00 10.85 C ATOM 493 SD MET A 34 -31.788 1.855 -0.581 1.00 10.55 S ATOM 494 CE MET A 34 -30.490 0.974 -1.421 1.00 10.30 C ATOM 0 H MET A 34 -28.366 3.026 -0.920 1.00 9.60 H new ATOM 0 HA MET A 34 -29.830 4.587 -2.913 1.00 10.19 H new ATOM 0 HB2 MET A 34 -30.244 3.969 0.018 1.00 10.40 H new ATOM 0 HB3 MET A 34 -31.046 5.347 -0.711 1.00 10.40 H new ATOM 0 HG2 MET A 34 -32.696 3.959 -1.271 1.00 10.85 H new ATOM 0 HG3 MET A 34 -31.622 3.295 -2.486 1.00 10.85 H new ATOM 0 HE1 MET A 34 -30.695 -0.096 -1.387 1.00 10.30 H new ATOM 0 HE2 MET A 34 -30.441 1.301 -2.460 1.00 10.30 H new ATOM 0 HE3 MET A 34 -29.537 1.176 -0.932 1.00 10.30 H new ATOM 504 N VAL A 35 -27.434 5.747 -1.274 1.00 9.32 N ATOM 505 CA VAL A 35 -26.659 6.947 -0.960 1.00 9.27 C ATOM 506 C VAL A 35 -25.377 7.078 -1.824 1.00 9.25 C ATOM 507 O VAL A 35 -24.345 7.555 -1.345 1.00 8.98 O ATOM 508 CB VAL A 35 -26.310 6.973 0.550 1.00 8.70 C ATOM 509 CG1 VAL A 35 -27.556 6.701 1.380 1.00 8.84 C ATOM 510 CG2 VAL A 35 -25.207 5.982 0.884 1.00 7.95 C ATOM 0 H VAL A 35 -26.901 4.878 -1.265 1.00 9.32 H new ATOM 0 HA VAL A 35 -27.283 7.807 -1.202 1.00 9.27 H new ATOM 0 HB VAL A 35 -25.937 7.967 0.795 1.00 8.70 H new ATOM 0 HG11 VAL A 35 -27.299 6.722 2.439 1.00 8.84 H new ATOM 0 HG12 VAL A 35 -28.305 7.465 1.173 1.00 8.84 H new ATOM 0 HG13 VAL A 35 -27.958 5.721 1.123 1.00 8.84 H new ATOM 0 HG21 VAL A 35 -24.988 6.027 1.951 1.00 7.95 H new ATOM 0 HG22 VAL A 35 -25.531 4.975 0.623 1.00 7.95 H new ATOM 0 HG23 VAL A 35 -24.309 6.232 0.318 1.00 7.95 H new ATOM 520 N PRO A 36 -25.426 6.717 -3.130 1.00 9.74 N ATOM 521 CA PRO A 36 -24.237 6.714 -3.996 1.00 9.85 C ATOM 522 C PRO A 36 -23.564 8.085 -4.071 1.00 10.22 C ATOM 523 O PRO A 36 -24.230 9.107 -4.265 1.00 10.95 O ATOM 524 CB PRO A 36 -24.787 6.323 -5.372 1.00 10.65 C ATOM 525 CG PRO A 36 -26.239 6.631 -5.298 1.00 11.10 C ATOM 526 CD PRO A 36 -26.626 6.333 -3.885 1.00 10.41 C ATOM 0 HA PRO A 36 -23.471 6.036 -3.619 1.00 9.85 H new ATOM 0 HB2 PRO A 36 -24.302 6.888 -6.168 1.00 10.65 H new ATOM 0 HB3 PRO A 36 -24.616 5.267 -5.582 1.00 10.65 H new ATOM 0 HG2 PRO A 36 -26.435 7.673 -5.549 1.00 11.10 H new ATOM 0 HG3 PRO A 36 -26.808 6.022 -6.000 1.00 11.10 H new ATOM 0 HD2 PRO A 36 -27.499 6.907 -3.575 1.00 10.41 H new ATOM 0 HD3 PRO A 36 -26.871 5.280 -3.746 1.00 10.41 H new ATOM 534 N GLY A 37 -22.252 8.105 -3.893 1.00 9.82 N ATOM 535 CA GLY A 37 -21.521 9.354 -3.931 1.00 10.31 C ATOM 536 C GLY A 37 -21.018 9.733 -2.562 1.00 9.86 C ATOM 537 O GLY A 37 -20.266 10.695 -2.397 1.00 10.21 O ATOM 0 H GLY A 37 -21.680 7.278 -3.723 1.00 9.82 H new ATOM 0 HA2 GLY A 37 -20.680 9.265 -4.619 1.00 10.31 H new ATOM 0 HA3 GLY A 37 -22.166 10.144 -4.316 1.00 10.31 H new ATOM 541 N GLN A 38 -21.451 8.970 -1.574 1.00 9.21 N ATOM 542 CA GLN A 38 -21.014 9.155 -0.205 1.00 8.88 C ATOM 543 C GLN A 38 -19.667 8.456 0.007 1.00 8.38 C ATOM 544 O GLN A 38 -19.116 7.866 -0.926 1.00 8.00 O ATOM 545 CB GLN A 38 -22.102 8.651 0.764 1.00 8.51 C ATOM 546 CG GLN A 38 -21.767 7.354 1.469 1.00 8.11 C ATOM 547 CD GLN A 38 -21.469 6.205 0.532 1.00 8.18 C ATOM 548 OE1 GLN A 38 -20.629 5.366 0.829 1.00 8.47 O ATOM 549 NE2 GLN A 38 -22.169 6.141 -0.580 1.00 8.21 N ATOM 0 H GLN A 38 -22.115 8.206 -1.700 1.00 9.21 H new ATOM 0 HA GLN A 38 -20.865 10.215 0.002 1.00 8.88 H new ATOM 0 HB2 GLN A 38 -22.286 9.420 1.514 1.00 8.51 H new ATOM 0 HB3 GLN A 38 -23.031 8.518 0.209 1.00 8.51 H new ATOM 0 HG2 GLN A 38 -20.904 7.516 2.115 1.00 8.11 H new ATOM 0 HG3 GLN A 38 -22.601 7.077 2.114 1.00 8.11 H new ATOM 0 HE21 GLN A 38 -22.860 6.861 -0.790 1.00 8.21 H new ATOM 0 HE22 GLN A 38 -22.021 5.371 -1.232 1.00 8.21 H new ATOM 558 N ARG A 39 -19.134 8.529 1.212 1.00 8.53 N ATOM 559 CA ARG A 39 -17.924 7.799 1.549 1.00 8.21 C ATOM 560 C ARG A 39 -17.911 7.464 3.039 1.00 8.04 C ATOM 561 O ARG A 39 -17.504 8.289 3.858 1.00 8.70 O ATOM 562 CB ARG A 39 -16.707 8.654 1.186 1.00 8.96 C ATOM 563 CG ARG A 39 -15.366 8.021 1.525 1.00 8.86 C ATOM 564 CD ARG A 39 -14.898 7.050 0.457 1.00 9.10 C ATOM 565 NE ARG A 39 -13.566 6.533 0.765 1.00 10.02 N ATOM 566 CZ ARG A 39 -12.596 6.367 -0.133 1.00 10.60 C ATOM 567 NH1 ARG A 39 -12.820 6.605 -1.419 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 -11.399 5.951 0.259 1.00 11.51 N ATOM 0 H ARG A 39 -19.519 9.086 1.975 1.00 8.53 H new ATOM 0 HA ARG A 39 -17.891 6.866 0.987 1.00 8.21 H new ATOM 0 HB2 ARG A 39 -16.734 8.866 0.117 1.00 8.96 H new ATOM 0 HB3 ARG A 39 -16.784 9.610 1.703 1.00 8.96 H new ATOM 0 HG2 ARG A 39 -14.619 8.805 1.652 1.00 8.86 H new ATOM 0 HG3 ARG A 39 -15.445 7.498 2.478 1.00 8.86 H new ATOM 0 HD2 ARG A 39 -15.604 6.223 0.378 1.00 9.10 H new ATOM 0 HD3 ARG A 39 -14.883 7.549 -0.512 1.00 9.10 H new ATOM 0 HE ARG A 39 -13.366 6.282 1.733 1.00 10.02 H new ATOM 0 HH11 ARG A 39 -13.741 6.918 -1.727 1.00 10.42 H new ATOM 0 HH12 ARG A 39 -12.071 6.475 -2.100 1.00 10.42 H new ATOM 0 HH21 ARG A 39 -11.223 5.759 1.245 1.00 11.51 H new ATOM 0 HH22 ARG A 39 -10.654 5.823 -0.426 1.00 11.51 H new ATOM 582 N PHE A 40 -18.380 6.271 3.405 1.00 7.31 N ATOM 583 CA PHE A 40 -18.365 5.875 4.806 1.00 7.34 C ATOM 584 C PHE A 40 -16.964 5.474 5.236 1.00 7.47 C ATOM 585 O PHE A 40 -16.235 4.813 4.496 1.00 7.06 O ATOM 586 CB PHE A 40 -19.344 4.736 5.063 1.00 6.76 C ATOM 587 CG PHE A 40 -20.776 5.154 4.933 1.00 6.92 C ATOM 588 CD1 PHE A 40 -21.427 5.767 5.985 1.00 7.27 C ATOM 589 CD2 PHE A 40 -21.470 4.933 3.760 1.00 6.93 C ATOM 590 CE1 PHE A 40 -22.744 6.153 5.868 1.00 7.50 C ATOM 591 CE2 PHE A 40 -22.790 5.315 3.635 1.00 7.26 C ATOM 592 CZ PHE A 40 -23.428 5.926 4.692 1.00 7.49 C ATOM 0 H PHE A 40 -18.766 5.578 2.764 1.00 7.31 H new ATOM 0 HA PHE A 40 -18.678 6.734 5.399 1.00 7.34 H new ATOM 0 HB2 PHE A 40 -19.143 3.926 4.362 1.00 6.76 H new ATOM 0 HB3 PHE A 40 -19.177 4.339 6.064 1.00 6.76 H new ATOM 0 HD1 PHE A 40 -20.898 5.946 6.909 1.00 7.27 H new ATOM 0 HD2 PHE A 40 -20.973 4.455 2.929 1.00 6.93 H new ATOM 0 HE1 PHE A 40 -23.241 6.634 6.698 1.00 7.50 H new ATOM 0 HE2 PHE A 40 -23.321 5.136 2.712 1.00 7.26 H new ATOM 0 HZ PHE A 40 -24.461 6.227 4.600 1.00 7.49 H new ATOM 602 N ASP A 41 -16.613 5.889 6.448 1.00 8.18 N ATOM 603 CA ASP A 41 -15.279 5.688 7.006 1.00 8.62 C ATOM 604 C ASP A 41 -14.984 4.209 7.199 1.00 8.07 C ATOM 605 O ASP A 41 -13.830 3.786 7.116 1.00 8.18 O ATOM 606 CB ASP A 41 -15.156 6.436 8.344 1.00 9.62 C ATOM 607 CG ASP A 41 -16.134 5.951 9.399 1.00 10.23 C ATOM 608 OD1 ASP A 41 -17.346 5.884 9.110 1.00 10.61 O ATOM 609 OD2 ASP A 41 -15.699 5.661 10.535 1.00 10.48 O1- ATOM 0 H ASP A 41 -17.250 6.378 7.076 1.00 8.18 H new ATOM 0 HA ASP A 41 -14.548 6.087 6.303 1.00 8.62 H new ATOM 0 HB2 ASP A 41 -14.140 6.324 8.722 1.00 9.62 H new ATOM 0 HB3 ASP A 41 -15.316 7.500 8.173 1.00 9.62 H new ATOM 614 N LYS A 42 -16.030 3.433 7.450 1.00 7.60 N ATOM 615 CA LYS A 42 -15.892 1.999 7.643 1.00 7.23 C ATOM 616 C LYS A 42 -17.255 1.313 7.640 1.00 6.69 C ATOM 617 O LYS A 42 -18.276 1.996 7.755 1.00 6.78 O ATOM 618 CB LYS A 42 -15.132 1.686 8.941 1.00 8.14 C ATOM 619 CG LYS A 42 -15.667 2.416 10.157 1.00 8.90 C ATOM 620 CD LYS A 42 -15.017 1.905 11.429 1.00 9.77 C ATOM 621 CE LYS A 42 -15.422 2.729 12.635 1.00 10.52 C ATOM 622 NZ LYS A 42 -14.928 4.127 12.536 1.00 10.91 N1+ ATOM 0 H LYS A 42 -16.987 3.777 7.525 1.00 7.60 H new ATOM 0 HA LYS A 42 -15.312 1.607 6.808 1.00 7.23 H new ATOM 0 HB2 LYS A 42 -15.175 0.613 9.126 1.00 8.14 H new ATOM 0 HB3 LYS A 42 -14.082 1.945 8.807 1.00 8.14 H new ATOM 0 HG2 LYS A 42 -15.482 3.485 10.054 1.00 8.90 H new ATOM 0 HG3 LYS A 42 -16.747 2.284 10.218 1.00 8.90 H new ATOM 0 HD2 LYS A 42 -15.298 0.864 11.588 1.00 9.77 H new ATOM 0 HD3 LYS A 42 -13.933 1.929 11.319 1.00 9.77 H new ATOM 0 HE2 LYS A 42 -16.508 2.732 12.725 1.00 10.52 H new ATOM 0 HE3 LYS A 42 -15.028 2.267 13.540 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 -14.980 4.581 13.470 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 -13.941 4.124 12.207 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 -15.516 4.656 11.861 1.00 10.91 H new ATOM 636 N PRO A 43 -17.296 -0.021 7.483 1.00 6.27 N ATOM 637 CA PRO A 43 -18.540 -0.815 7.492 1.00 6.04 C ATOM 638 C PRO A 43 -19.485 -0.502 8.664 1.00 6.80 C ATOM 639 O PRO A 43 -19.128 0.208 9.615 1.00 7.51 O ATOM 640 CB PRO A 43 -18.032 -2.269 7.583 1.00 6.00 C ATOM 641 CG PRO A 43 -16.577 -2.156 7.900 1.00 6.35 C ATOM 642 CD PRO A 43 -16.139 -0.885 7.248 1.00 6.19 C ATOM 0 HA PRO A 43 -19.143 -0.598 6.610 1.00 6.04 H new ATOM 0 HB2 PRO A 43 -18.562 -2.824 8.357 1.00 6.00 H new ATOM 0 HB3 PRO A 43 -18.191 -2.801 6.645 1.00 6.00 H new ATOM 0 HG2 PRO A 43 -16.408 -2.126 8.976 1.00 6.35 H new ATOM 0 HG3 PRO A 43 -16.021 -3.010 7.514 1.00 6.35 H new ATOM 0 HD2 PRO A 43 -15.231 -0.485 7.698 1.00 6.19 H new ATOM 0 HD3 PRO A 43 -15.936 -1.018 6.185 1.00 6.19 H new ATOM 650 N GLY A 44 -20.697 -1.038 8.587 1.00 6.81 N ATOM 651 CA GLY A 44 -21.669 -0.838 9.645 1.00 7.59 C ATOM 652 C GLY A 44 -23.079 -0.676 9.111 1.00 7.56 C ATOM 653 O GLY A 44 -23.363 -1.040 7.965 1.00 7.08 O ATOM 0 H GLY A 44 -21.025 -1.609 7.808 1.00 6.81 H new ATOM 0 HA2 GLY A 44 -21.638 -1.686 10.329 1.00 7.59 H new ATOM 0 HA3 GLY A 44 -21.398 0.046 10.222 1.00 7.59 H new ATOM 657 N LYS A 45 -23.963 -0.142 9.942 1.00 8.20 N ATOM 658 CA LYS A 45 -25.335 0.125 9.542 1.00 8.37 C ATOM 659 C LYS A 45 -25.451 1.553 9.033 1.00 8.15 C ATOM 660 O LYS A 45 -24.816 2.469 9.560 1.00 8.27 O ATOM 661 CB LYS A 45 -26.281 -0.081 10.724 1.00 9.30 C ATOM 662 CG LYS A 45 -27.753 0.022 10.351 1.00 9.65 C ATOM 663 CD LYS A 45 -28.511 0.897 11.318 1.00 10.42 C ATOM 664 CE LYS A 45 -28.344 0.443 12.762 1.00 11.07 C ATOM 665 NZ LYS A 45 -28.926 -0.906 13.001 1.00 11.68 N1+ ATOM 0 H LYS A 45 -23.750 0.116 10.906 1.00 8.20 H new ATOM 0 HA LYS A 45 -25.612 -0.567 8.746 1.00 8.37 H new ATOM 0 HB2 LYS A 45 -26.094 -1.061 11.162 1.00 9.30 H new ATOM 0 HB3 LYS A 45 -26.057 0.660 11.492 1.00 9.30 H new ATOM 0 HG2 LYS A 45 -27.846 0.427 9.343 1.00 9.65 H new ATOM 0 HG3 LYS A 45 -28.196 -0.974 10.337 1.00 9.65 H new ATOM 0 HD2 LYS A 45 -28.165 1.926 11.221 1.00 10.42 H new ATOM 0 HD3 LYS A 45 -29.569 0.890 11.058 1.00 10.42 H new ATOM 0 HE2 LYS A 45 -27.284 0.429 13.016 1.00 11.07 H new ATOM 0 HE3 LYS A 45 -28.821 1.165 13.425 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 -28.803 -1.165 14.001 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 -29.940 -0.893 12.768 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 -28.442 -1.604 12.401 1.00 11.68 H new ATOM 679 N SER A 46 -26.255 1.718 7.996 1.00 8.03 N ATOM 680 CA SER A 46 -26.493 3.007 7.383 1.00 7.98 C ATOM 681 C SER A 46 -27.054 3.997 8.396 1.00 8.64 C ATOM 682 O SER A 46 -27.923 3.640 9.184 1.00 9.20 O ATOM 683 CB SER A 46 -27.493 2.825 6.245 1.00 8.03 C ATOM 684 OG SER A 46 -28.692 2.248 6.733 1.00 8.36 O ATOM 0 H SER A 46 -26.764 0.952 7.555 1.00 8.03 H new ATOM 0 HA SER A 46 -25.550 3.403 7.007 1.00 7.98 H new ATOM 0 HB2 SER A 46 -27.707 3.788 5.782 1.00 8.03 H new ATOM 0 HB3 SER A 46 -27.063 2.188 5.472 1.00 8.03 H new ATOM 0 HG SER A 46 -28.752 2.387 7.701 1.00 8.36 H new ATOM 690 N PRO A 47 -26.559 5.238 8.409 1.00 8.70 N ATOM 691 CA PRO A 47 -27.151 6.303 9.217 1.00 9.38 C ATOM 692 C PRO A 47 -28.432 6.855 8.589 1.00 9.63 C ATOM 693 O PRO A 47 -29.319 7.342 9.289 1.00 10.25 O ATOM 694 CB PRO A 47 -26.061 7.371 9.239 1.00 9.45 C ATOM 695 CG PRO A 47 -25.310 7.168 7.974 1.00 8.81 C ATOM 696 CD PRO A 47 -25.353 5.688 7.696 1.00 8.26 C ATOM 0 HA PRO A 47 -27.445 5.956 10.208 1.00 9.38 H new ATOM 0 HB2 PRO A 47 -26.489 8.372 9.290 1.00 9.45 H new ATOM 0 HB3 PRO A 47 -25.412 7.257 10.107 1.00 9.45 H new ATOM 0 HG2 PRO A 47 -25.762 7.731 7.158 1.00 8.81 H new ATOM 0 HG3 PRO A 47 -24.282 7.517 8.071 1.00 8.81 H new ATOM 0 HD2 PRO A 47 -25.418 5.482 6.628 1.00 8.26 H new ATOM 0 HD3 PRO A 47 -24.459 5.185 8.063 1.00 8.26 H new ATOM 704 N TYR A 48 -28.529 6.758 7.263 1.00 9.26 N ATOM 705 CA TYR A 48 -29.651 7.328 6.535 1.00 9.61 C ATOM 706 C TYR A 48 -30.854 6.395 6.576 1.00 9.96 C ATOM 707 O TYR A 48 -32.002 6.835 6.540 1.00 10.49 O ATOM 708 CB TYR A 48 -29.263 7.634 5.082 1.00 9.34 C ATOM 709 CG TYR A 48 -28.106 8.595 4.936 1.00 9.17 C ATOM 710 CD1 TYR A 48 -28.294 9.964 5.053 1.00 9.63 C ATOM 711 CD2 TYR A 48 -26.825 8.129 4.667 1.00 8.69 C ATOM 712 CE1 TYR A 48 -27.237 10.843 4.910 1.00 9.70 C ATOM 713 CE2 TYR A 48 -25.763 9.000 4.520 1.00 8.75 C ATOM 714 CZ TYR A 48 -25.974 10.356 4.642 1.00 9.30 C ATOM 715 OH TYR A 48 -24.921 11.230 4.493 1.00 9.57 O ATOM 0 H TYR A 48 -27.841 6.288 6.675 1.00 9.26 H new ATOM 0 HA TYR A 48 -29.924 8.264 7.022 1.00 9.61 H new ATOM 0 HB2 TYR A 48 -29.009 6.699 4.582 1.00 9.34 H new ATOM 0 HB3 TYR A 48 -30.130 8.047 4.566 1.00 9.34 H new ATOM 0 HD1 TYR A 48 -29.282 10.349 5.259 1.00 9.63 H new ATOM 0 HD2 TYR A 48 -26.657 7.067 4.571 1.00 8.69 H new ATOM 0 HE1 TYR A 48 -27.399 11.906 5.008 1.00 9.70 H new ATOM 0 HE2 TYR A 48 -24.774 8.621 4.311 1.00 8.75 H new ATOM 0 HH TYR A 48 -24.101 10.726 4.309 1.00 9.57 H new ATOM 725 N MET A 49 -30.573 5.112 6.634 1.00 9.74 N ATOM 726 CA MET A 49 -31.581 4.093 6.802 1.00 10.23 C ATOM 727 C MET A 49 -31.229 3.247 8.015 1.00 10.20 C ATOM 728 O MET A 49 -30.486 3.691 8.884 1.00 9.87 O ATOM 729 CB MET A 49 -31.609 3.255 5.531 1.00 10.28 C ATOM 730 CG MET A 49 -32.129 4.050 4.359 1.00 10.38 C ATOM 731 SD MET A 49 -31.001 4.179 2.959 1.00 10.09 S ATOM 732 CE MET A 49 -29.448 4.365 3.807 1.00 9.55 C ATOM 0 H MET A 49 -29.624 4.744 6.565 1.00 9.74 H new ATOM 0 HA MET A 49 -32.567 4.527 6.968 1.00 10.23 H new ATOM 0 HB2 MET A 49 -30.605 2.893 5.310 1.00 10.28 H new ATOM 0 HB3 MET A 49 -32.238 2.378 5.685 1.00 10.28 H new ATOM 0 HG2 MET A 49 -33.058 3.595 4.016 1.00 10.38 H new ATOM 0 HG3 MET A 49 -32.374 5.055 4.702 1.00 10.38 H new ATOM 0 HE1 MET A 49 -28.692 4.720 3.107 1.00 9.55 H new ATOM 0 HE2 MET A 49 -29.560 5.086 4.617 1.00 9.55 H new ATOM 0 HE3 MET A 49 -29.140 3.403 4.217 1.00 9.55 H new ATOM 742 N ASP A 50 -31.798 2.062 8.102 1.00 10.69 N ATOM 743 CA ASP A 50 -31.390 1.105 9.104 1.00 10.83 C ATOM 744 C ASP A 50 -31.082 -0.222 8.444 1.00 10.64 C ATOM 745 O ASP A 50 -31.683 -1.253 8.741 1.00 11.23 O ATOM 746 CB ASP A 50 -32.438 0.956 10.209 1.00 11.76 C ATOM 747 CG ASP A 50 -33.826 0.617 9.693 1.00 12.21 C ATOM 748 OD1 ASP A 50 -34.512 1.525 9.171 1.00 12.33 O1- ATOM 749 OD2 ASP A 50 -34.244 -0.552 9.825 1.00 12.54 O ATOM 0 H ASP A 50 -32.546 1.740 7.488 1.00 10.69 H new ATOM 0 HA ASP A 50 -30.485 1.474 9.587 1.00 10.83 H new ATOM 0 HB2 ASP A 50 -32.116 0.176 10.900 1.00 11.76 H new ATOM 0 HB3 ASP A 50 -32.488 1.885 10.777 1.00 11.76 H new ATOM 754 N MET A 51 -30.130 -0.171 7.531 1.00 9.87 N ATOM 755 CA MET A 51 -29.666 -1.355 6.835 1.00 9.64 C ATOM 756 C MET A 51 -28.150 -1.387 6.832 1.00 8.84 C ATOM 757 O MET A 51 -27.504 -0.344 6.801 1.00 8.36 O ATOM 758 CB MET A 51 -30.197 -1.370 5.399 1.00 9.70 C ATOM 759 CG MET A 51 -30.027 -0.062 4.636 1.00 9.43 C ATOM 760 SD MET A 51 -30.653 -0.215 2.959 1.00 9.38 S ATOM 761 CE MET A 51 -29.275 -1.015 2.136 1.00 9.04 C ATOM 0 H MET A 51 -29.658 0.689 7.252 1.00 9.87 H new ATOM 0 HA MET A 51 -30.040 -2.239 7.352 1.00 9.64 H new ATOM 0 HB2 MET A 51 -29.690 -2.163 4.849 1.00 9.70 H new ATOM 0 HB3 MET A 51 -31.257 -1.625 5.422 1.00 9.70 H new ATOM 0 HG2 MET A 51 -30.555 0.738 5.155 1.00 9.43 H new ATOM 0 HG3 MET A 51 -28.973 0.216 4.612 1.00 9.43 H new ATOM 0 HE1 MET A 51 -29.263 -0.728 1.084 1.00 9.04 H new ATOM 0 HE2 MET A 51 -28.341 -0.707 2.607 1.00 9.04 H new ATOM 0 HE3 MET A 51 -29.382 -2.097 2.216 1.00 9.04 H new ATOM 771 N PRO A 52 -27.552 -2.582 6.919 1.00 8.77 N ATOM 772 CA PRO A 52 -26.110 -2.726 6.788 1.00 8.04 C ATOM 773 C PRO A 52 -25.658 -2.296 5.402 1.00 7.35 C ATOM 774 O PRO A 52 -26.258 -2.697 4.401 1.00 7.56 O ATOM 775 CB PRO A 52 -25.853 -4.219 7.011 1.00 8.35 C ATOM 776 CG PRO A 52 -27.172 -4.882 6.796 1.00 9.16 C ATOM 777 CD PRO A 52 -28.223 -3.868 7.158 1.00 9.51 C ATOM 0 HA PRO A 52 -25.560 -2.105 7.495 1.00 8.04 H new ATOM 0 HB2 PRO A 52 -25.104 -4.597 6.315 1.00 8.35 H new ATOM 0 HB3 PRO A 52 -25.477 -4.408 8.017 1.00 8.35 H new ATOM 0 HG2 PRO A 52 -27.281 -5.201 5.760 1.00 9.16 H new ATOM 0 HG3 PRO A 52 -27.264 -5.774 7.416 1.00 9.16 H new ATOM 0 HD2 PRO A 52 -29.115 -3.976 6.541 1.00 9.51 H new ATOM 0 HD3 PRO A 52 -28.539 -3.970 8.196 1.00 9.51 H new ATOM 785 N LEU A 53 -24.617 -1.484 5.349 1.00 6.71 N ATOM 786 CA LEU A 53 -24.151 -0.921 4.088 1.00 6.20 C ATOM 787 C LEU A 53 -23.668 -2.011 3.136 1.00 5.97 C ATOM 788 O LEU A 53 -23.376 -3.136 3.549 1.00 6.05 O ATOM 789 CB LEU A 53 -23.044 0.105 4.344 1.00 5.79 C ATOM 790 CG LEU A 53 -23.474 1.314 5.174 1.00 6.23 C ATOM 791 CD1 LEU A 53 -22.261 2.054 5.707 1.00 6.10 C ATOM 792 CD2 LEU A 53 -24.332 2.244 4.333 1.00 6.57 C ATOM 0 H LEU A 53 -24.076 -1.198 6.165 1.00 6.71 H new ATOM 0 HA LEU A 53 -24.992 -0.418 3.611 1.00 6.20 H new ATOM 0 HB2 LEU A 53 -22.217 -0.392 4.852 1.00 5.79 H new ATOM 0 HB3 LEU A 53 -22.664 0.456 3.385 1.00 5.79 H new ATOM 0 HG LEU A 53 -24.061 0.963 6.022 1.00 6.23 H new ATOM 0 HD11 LEU A 53 -22.587 2.912 6.295 1.00 6.10 H new ATOM 0 HD12 LEU A 53 -21.674 1.385 6.336 1.00 6.10 H new ATOM 0 HD13 LEU A 53 -21.649 2.398 4.873 1.00 6.10 H new ATOM 0 HD21 LEU A 53 -24.634 3.103 4.933 1.00 6.57 H new ATOM 0 HD22 LEU A 53 -23.760 2.587 3.471 1.00 6.57 H new ATOM 0 HD23 LEU A 53 -25.219 1.711 3.991 1.00 6.57 H new ATOM 804 N ILE A 54 -23.590 -1.674 1.862 1.00 5.92 N ATOM 805 CA ILE A 54 -23.170 -2.617 0.842 1.00 5.98 C ATOM 806 C ILE A 54 -21.709 -2.390 0.529 1.00 5.33 C ATOM 807 O ILE A 54 -21.265 -1.247 0.384 1.00 5.16 O ATOM 808 CB ILE A 54 -24.010 -2.475 -0.451 1.00 6.77 C ATOM 809 CG1 ILE A 54 -25.352 -3.221 -0.329 1.00 7.56 C ATOM 810 CG2 ILE A 54 -23.247 -2.979 -1.671 1.00 7.04 C ATOM 811 CD1 ILE A 54 -26.241 -2.758 0.805 1.00 7.89 C ATOM 0 H ILE A 54 -23.814 -0.745 1.506 1.00 5.92 H new ATOM 0 HA ILE A 54 -23.323 -3.626 1.226 1.00 5.98 H new ATOM 0 HB ILE A 54 -24.211 -1.412 -0.585 1.00 6.77 H new ATOM 0 HG12 ILE A 54 -25.898 -3.112 -1.266 1.00 7.56 H new ATOM 0 HG13 ILE A 54 -25.149 -4.284 -0.201 1.00 7.56 H new ATOM 0 HG21 ILE A 54 -23.866 -2.864 -2.561 1.00 7.04 H new ATOM 0 HG22 ILE A 54 -22.330 -2.402 -1.791 1.00 7.04 H new ATOM 0 HG23 ILE A 54 -22.998 -4.032 -1.535 1.00 7.04 H new ATOM 0 HD11 ILE A 54 -27.161 -3.343 0.808 1.00 7.89 H new ATOM 0 HD12 ILE A 54 -25.721 -2.894 1.753 1.00 7.89 H new ATOM 0 HD13 ILE A 54 -26.482 -1.703 0.671 1.00 7.89 H new ATOM 823 N PRO A 55 -20.927 -3.458 0.458 1.00 5.13 N ATOM 824 CA PRO A 55 -19.520 -3.336 0.189 1.00 4.65 C ATOM 825 C PRO A 55 -19.198 -3.265 -1.304 1.00 5.10 C ATOM 826 O PRO A 55 -19.911 -3.808 -2.148 1.00 5.77 O ATOM 827 CB PRO A 55 -18.954 -4.589 0.842 1.00 4.51 C ATOM 828 CG PRO A 55 -20.025 -5.614 0.673 1.00 5.22 C ATOM 829 CD PRO A 55 -21.334 -4.862 0.664 1.00 5.58 C ATOM 0 HA PRO A 55 -19.094 -2.410 0.576 1.00 4.65 H new ATOM 0 HB2 PRO A 55 -18.026 -4.902 0.363 1.00 4.51 H new ATOM 0 HB3 PRO A 55 -18.728 -4.421 1.895 1.00 4.51 H new ATOM 0 HG2 PRO A 55 -19.889 -6.169 -0.255 1.00 5.22 H new ATOM 0 HG3 PRO A 55 -20.000 -6.340 1.485 1.00 5.22 H new ATOM 0 HD2 PRO A 55 -21.991 -5.210 -0.133 1.00 5.58 H new ATOM 0 HD3 PRO A 55 -21.876 -4.989 1.601 1.00 5.58 H new ATOM 837 N VAL A 56 -18.114 -2.568 -1.600 1.00 5.00 N ATOM 838 CA VAL A 56 -17.666 -2.318 -2.963 1.00 5.69 C ATOM 839 C VAL A 56 -17.042 -3.557 -3.608 1.00 5.96 C ATOM 840 O VAL A 56 -16.558 -4.446 -2.920 1.00 5.52 O ATOM 841 CB VAL A 56 -16.639 -1.178 -2.976 1.00 5.77 C ATOM 842 CG1 VAL A 56 -17.240 0.105 -2.428 1.00 5.82 C ATOM 843 CG2 VAL A 56 -15.431 -1.596 -2.178 1.00 5.28 C ATOM 0 H VAL A 56 -17.510 -2.153 -0.891 1.00 5.00 H new ATOM 0 HA VAL A 56 -18.548 -2.045 -3.543 1.00 5.69 H new ATOM 0 HB VAL A 56 -16.338 -0.977 -4.004 1.00 5.77 H new ATOM 0 HG11 VAL A 56 -16.490 0.896 -2.449 1.00 5.82 H new ATOM 0 HG12 VAL A 56 -18.093 0.398 -3.040 1.00 5.82 H new ATOM 0 HG13 VAL A 56 -17.568 -0.057 -1.401 1.00 5.82 H new ATOM 0 HG21 VAL A 56 -14.696 -0.791 -2.182 1.00 5.28 H new ATOM 0 HG22 VAL A 56 -15.729 -1.810 -1.152 1.00 5.28 H new ATOM 0 HG23 VAL A 56 -14.993 -2.490 -2.622 1.00 5.28 H new ATOM 853 N TYR A 57 -17.040 -3.518 -4.936 1.00 6.83 N ATOM 854 CA TYR A 57 -16.551 -4.564 -5.866 1.00 7.44 C ATOM 855 C TYR A 57 -16.259 -5.918 -5.230 1.00 7.10 C ATOM 856 O TYR A 57 -17.041 -6.859 -5.379 1.00 7.48 O ATOM 857 CB TYR A 57 -15.303 -4.045 -6.600 1.00 7.84 C ATOM 858 CG TYR A 57 -14.583 -2.932 -5.859 1.00 7.40 C ATOM 859 CD1 TYR A 57 -13.603 -3.204 -4.911 1.00 6.79 C ATOM 860 CD2 TYR A 57 -14.895 -1.602 -6.109 1.00 7.77 C ATOM 861 CE1 TYR A 57 -12.953 -2.193 -4.248 1.00 6.66 C ATOM 862 CE2 TYR A 57 -14.247 -0.580 -5.446 1.00 7.62 C ATOM 863 CZ TYR A 57 -13.273 -0.880 -4.519 1.00 7.11 C ATOM 864 OH TYR A 57 -12.621 0.134 -3.859 1.00 7.23 O ATOM 0 H TYR A 57 -17.401 -2.707 -5.438 1.00 6.83 H new ATOM 0 HA TYR A 57 -17.372 -4.753 -6.558 1.00 7.44 H new ATOM 0 HB2 TYR A 57 -14.612 -4.873 -6.755 1.00 7.84 H new ATOM 0 HB3 TYR A 57 -15.595 -3.684 -7.586 1.00 7.84 H new ATOM 0 HD1 TYR A 57 -13.348 -4.230 -4.692 1.00 6.79 H new ATOM 0 HD2 TYR A 57 -15.658 -1.363 -6.835 1.00 7.77 H new ATOM 0 HE1 TYR A 57 -12.193 -2.426 -3.516 1.00 6.66 H new ATOM 0 HE2 TYR A 57 -14.502 0.449 -5.653 1.00 7.62 H new ATOM 0 HH TYR A 57 -12.964 0.999 -4.167 1.00 7.23 H new ATOM 874 N GLU A 58 -15.144 -6.008 -4.553 1.00 6.59 N ATOM 875 CA GLU A 58 -14.664 -7.245 -3.973 1.00 6.41 C ATOM 876 C GLU A 58 -15.718 -7.804 -3.008 1.00 6.15 C ATOM 877 O GLU A 58 -16.073 -8.984 -3.080 1.00 6.62 O ATOM 878 CB GLU A 58 -13.351 -6.906 -3.268 1.00 5.89 C ATOM 879 CG GLU A 58 -13.409 -6.961 -1.765 1.00 5.18 C ATOM 880 CD GLU A 58 -12.997 -8.315 -1.245 1.00 5.25 C ATOM 881 OE1 GLU A 58 -11.780 -8.532 -1.070 1.00 5.25 O ATOM 882 OE2 GLU A 58 -13.871 -9.167 -1.032 1.00 5.61 O1- ATOM 0 H GLU A 58 -14.530 -5.212 -4.384 1.00 6.59 H new ATOM 0 HA GLU A 58 -14.491 -8.018 -4.722 1.00 6.41 H new ATOM 0 HB2 GLU A 58 -12.581 -7.596 -3.613 1.00 5.89 H new ATOM 0 HB3 GLU A 58 -13.041 -5.905 -3.569 1.00 5.89 H new ATOM 0 HG2 GLU A 58 -12.756 -6.195 -1.346 1.00 5.18 H new ATOM 0 HG3 GLU A 58 -14.421 -6.734 -1.430 1.00 5.18 H new ATOM 889 N GLU A 59 -16.232 -6.937 -2.159 1.00 5.59 N ATOM 890 CA GLU A 59 -17.260 -7.284 -1.188 1.00 5.52 C ATOM 891 C GLU A 59 -16.741 -8.208 -0.086 1.00 5.43 C ATOM 892 O GLU A 59 -16.923 -9.434 -0.126 1.00 6.06 O ATOM 893 CB GLU A 59 -18.493 -7.906 -1.856 1.00 6.40 C ATOM 894 CG GLU A 59 -19.216 -6.976 -2.814 1.00 6.94 C ATOM 895 CD GLU A 59 -20.474 -7.602 -3.377 1.00 7.89 C ATOM 896 OE1 GLU A 59 -21.537 -7.492 -2.733 1.00 8.12 O ATOM 897 OE2 GLU A 59 -20.406 -8.215 -4.466 1.00 8.58 O1- ATOM 0 H GLU A 59 -15.947 -5.959 -2.120 1.00 5.59 H new ATOM 0 HA GLU A 59 -17.555 -6.343 -0.723 1.00 5.52 H new ATOM 0 HB2 GLU A 59 -18.187 -8.801 -2.398 1.00 6.40 H new ATOM 0 HB3 GLU A 59 -19.190 -8.225 -1.081 1.00 6.40 H new ATOM 0 HG2 GLU A 59 -19.472 -6.052 -2.297 1.00 6.94 H new ATOM 0 HG3 GLU A 59 -18.547 -6.709 -3.632 1.00 6.94 H new ATOM 1187 N ARG A 80 2.811 4.463 -5.596 1.00 8.26 N ATOM 1188 CA ARG A 80 3.244 3.239 -4.946 1.00 8.04 C ATOM 1189 C ARG A 80 4.421 3.534 -4.031 1.00 7.16 C ATOM 1190 O ARG A 80 5.023 4.607 -4.119 1.00 6.61 O ATOM 1191 CB ARG A 80 3.613 2.142 -5.953 1.00 8.39 C ATOM 1192 CG ARG A 80 2.436 1.594 -6.754 1.00 8.96 C ATOM 1193 CD ARG A 80 1.981 2.558 -7.841 1.00 9.63 C ATOM 1194 NE ARG A 80 0.794 2.069 -8.539 1.00 10.25 N ATOM 1195 CZ ARG A 80 0.174 2.730 -9.517 1.00 10.94 C ATOM 1196 NH1 ARG A 80 0.644 3.892 -9.951 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 -0.918 2.221 -10.071 1.00 11.64 N ATOM 0 HA ARG A 80 2.406 2.863 -4.359 1.00 8.04 H new ATOM 0 HB2 ARG A 80 4.355 2.538 -6.647 1.00 8.39 H new ATOM 0 HB3 ARG A 80 4.086 1.319 -5.417 1.00 8.39 H new ATOM 0 HG2 ARG A 80 2.719 0.644 -7.208 1.00 8.96 H new ATOM 0 HG3 ARG A 80 1.604 1.390 -6.080 1.00 8.96 H new ATOM 0 HD2 ARG A 80 1.767 3.531 -7.398 1.00 9.63 H new ATOM 0 HD3 ARG A 80 2.789 2.705 -8.558 1.00 9.63 H new ATOM 0 HE ARG A 80 0.415 1.164 -8.260 1.00 10.25 H new ATOM 0 HH11 ARG A 80 1.487 4.288 -9.536 1.00 11.11 H new ATOM 0 HH12 ARG A 80 0.162 4.389 -10.700 1.00 11.11 H new ATOM 0 HH21 ARG A 80 -1.283 1.325 -9.749 1.00 11.64 H new ATOM 0 HH22 ARG A 80 -1.393 2.726 -10.819 1.00 11.64 H new ATOM 1211 N THR A 81 4.766 2.588 -3.177 1.00 7.24 N ATOM 1212 CA THR A 81 5.790 2.816 -2.177 1.00 6.59 C ATOM 1213 C THR A 81 6.759 1.640 -2.091 1.00 6.82 C ATOM 1214 O THR A 81 6.620 0.647 -2.804 1.00 7.73 O ATOM 1215 CB THR A 81 5.154 3.045 -0.791 1.00 6.98 C ATOM 1216 OG1 THR A 81 4.289 1.949 -0.464 1.00 8.00 O ATOM 1217 CG2 THR A 81 4.367 4.343 -0.746 1.00 7.05 C ATOM 0 H THR A 81 4.352 1.656 -3.157 1.00 7.24 H new ATOM 0 HA THR A 81 6.342 3.706 -2.480 1.00 6.59 H new ATOM 0 HB THR A 81 5.961 3.111 -0.061 1.00 6.98 H new ATOM 0 HG1 THR A 81 3.977 2.043 0.460 1.00 8.00 H new ATOM 0 HG21 THR A 81 3.933 4.471 0.246 1.00 7.05 H new ATOM 0 HG22 THR A 81 5.032 5.179 -0.962 1.00 7.05 H new ATOM 0 HG23 THR A 81 3.570 4.311 -1.489 1.00 7.05 H new ATOM 1225 N ALA A 82 7.754 1.787 -1.231 1.00 6.18 N ATOM 1226 CA ALA A 82 8.683 0.718 -0.919 1.00 6.65 C ATOM 1227 C ALA A 82 9.032 0.780 0.558 1.00 6.65 C ATOM 1228 O ALA A 82 9.344 1.851 1.076 1.00 5.88 O ATOM 1229 CB ALA A 82 9.940 0.832 -1.767 1.00 6.36 C ATOM 0 H ALA A 82 7.939 2.655 -0.729 1.00 6.18 H new ATOM 0 HA ALA A 82 8.216 -0.241 -1.143 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.623 0.020 -1.516 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.674 0.770 -2.822 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.426 1.788 -1.571 1.00 6.36 H new ATOM 1235 N GLU A 83 8.961 -0.354 1.236 1.00 7.70 N ATOM 1236 CA GLU A 83 9.197 -0.397 2.664 1.00 8.10 C ATOM 1237 C GLU A 83 10.687 -0.380 2.958 1.00 7.90 C ATOM 1238 O GLU A 83 11.481 -0.986 2.239 1.00 8.21 O ATOM 1239 CB GLU A 83 8.543 -1.632 3.289 1.00 9.47 C ATOM 1240 CG GLU A 83 8.544 -1.633 4.809 1.00 10.14 C ATOM 1241 CD GLU A 83 7.836 -2.841 5.385 1.00 11.52 C ATOM 1242 OE1 GLU A 83 6.598 -2.793 5.537 1.00 12.06 O1- ATOM 1243 OE2 GLU A 83 8.509 -3.846 5.680 1.00 12.15 O ATOM 0 H GLU A 83 8.741 -1.257 0.816 1.00 7.70 H new ATOM 0 HA GLU A 83 8.745 0.489 3.109 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.514 -1.702 2.937 1.00 9.47 H new ATOM 0 HB3 GLU A 83 9.062 -2.523 2.935 1.00 9.47 H new ATOM 0 HG2 GLU A 83 9.573 -1.612 5.169 1.00 10.14 H new ATOM 0 HG3 GLU A 83 8.061 -0.725 5.171 1.00 10.14 H new ATOM 1250 N VAL A 84 11.048 0.334 3.997 1.00 7.58 N ATOM 1251 CA VAL A 84 12.415 0.400 4.456 1.00 7.50 C ATOM 1252 C VAL A 84 12.841 -0.922 5.041 1.00 8.74 C ATOM 1253 O VAL A 84 12.165 -1.481 5.906 1.00 9.71 O ATOM 1254 CB VAL A 84 12.596 1.495 5.517 1.00 7.28 C ATOM 1255 CG1 VAL A 84 13.980 1.425 6.137 1.00 7.49 C ATOM 1256 CG2 VAL A 84 12.357 2.855 4.900 1.00 6.28 C ATOM 0 H VAL A 84 10.397 0.890 4.552 1.00 7.58 H new ATOM 0 HA VAL A 84 13.035 0.638 3.592 1.00 7.50 H new ATOM 0 HB VAL A 84 11.866 1.334 6.310 1.00 7.28 H new ATOM 0 HG11 VAL A 84 14.084 2.211 6.885 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.118 0.453 6.610 1.00 7.49 H new ATOM 0 HG13 VAL A 84 14.734 1.561 5.361 1.00 7.49 H new ATOM 0 HG21 VAL A 84 12.487 3.627 5.659 1.00 6.28 H new ATOM 0 HG22 VAL A 84 13.069 3.018 4.091 1.00 6.28 H new ATOM 0 HG23 VAL A 84 11.342 2.902 4.505 1.00 6.28 H new ATOM 1266 N LYS A 85 13.950 -1.418 4.545 1.00 8.82 N ATOM 1267 CA LYS A 85 14.548 -2.619 5.082 1.00 10.03 C ATOM 1268 C LYS A 85 15.994 -2.765 4.650 1.00 10.02 C ATOM 1269 O LYS A 85 16.396 -2.323 3.569 1.00 9.25 O ATOM 1270 CB LYS A 85 13.725 -3.866 4.742 1.00 10.75 C ATOM 1271 CG LYS A 85 13.013 -3.832 3.406 1.00 10.58 C ATOM 1272 CD LYS A 85 13.970 -3.881 2.237 1.00 11.03 C ATOM 1273 CE LYS A 85 13.966 -2.568 1.488 1.00 10.50 C ATOM 1274 NZ LYS A 85 14.674 -2.665 0.185 1.00 11.02 N1+ ATOM 0 H LYS A 85 14.460 -1.005 3.764 1.00 8.82 H new ATOM 0 HA LYS A 85 14.545 -2.521 6.168 1.00 10.03 H new ATOM 0 HB2 LYS A 85 14.386 -4.732 4.760 1.00 10.75 H new ATOM 0 HB3 LYS A 85 12.983 -4.015 5.526 1.00 10.75 H new ATOM 0 HG2 LYS A 85 12.325 -4.675 3.343 1.00 10.58 H new ATOM 0 HG3 LYS A 85 12.412 -2.925 3.341 1.00 10.58 H new ATOM 0 HD2 LYS A 85 14.977 -4.099 2.594 1.00 11.03 H new ATOM 0 HD3 LYS A 85 13.688 -4.690 1.564 1.00 11.03 H new ATOM 0 HE2 LYS A 85 12.937 -2.251 1.318 1.00 10.50 H new ATOM 0 HE3 LYS A 85 14.439 -1.800 2.101 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 15.093 -1.743 -0.052 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 15.426 -3.380 0.251 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 13.999 -2.940 -0.557 1.00 11.02 H new ATOM 1288 N LEU A 86 16.769 -3.342 5.548 1.00 10.96 N ATOM 1289 CA LEU A 86 18.186 -3.585 5.321 1.00 11.21 C ATOM 1290 C LEU A 86 18.375 -4.670 4.280 1.00 11.85 C ATOM 1291 O LEU A 86 17.755 -5.728 4.355 1.00 12.43 O ATOM 1292 CB LEU A 86 18.892 -3.988 6.616 1.00 12.08 C ATOM 1293 CG LEU A 86 19.122 -2.858 7.620 1.00 11.90 C ATOM 1294 CD1 LEU A 86 17.826 -2.473 8.318 1.00 11.97 C ATOM 1295 CD2 LEU A 86 20.171 -3.262 8.640 1.00 12.76 C ATOM 0 H LEU A 86 16.436 -3.657 6.459 1.00 10.96 H new ATOM 0 HA LEU A 86 18.628 -2.657 4.960 1.00 11.21 H new ATOM 0 HB2 LEU A 86 18.305 -4.768 7.101 1.00 12.08 H new ATOM 0 HB3 LEU A 86 19.857 -4.427 6.362 1.00 12.08 H new ATOM 0 HG LEU A 86 19.482 -1.988 7.071 1.00 11.90 H new ATOM 0 HD11 LEU A 86 18.020 -1.667 9.026 1.00 11.97 H new ATOM 0 HD12 LEU A 86 17.099 -2.138 7.578 1.00 11.97 H new ATOM 0 HD13 LEU A 86 17.429 -3.337 8.851 1.00 11.97 H new ATOM 0 HD21 LEU A 86 20.323 -2.447 9.348 1.00 12.76 H new ATOM 0 HD22 LEU A 86 19.835 -4.150 9.176 1.00 12.76 H new ATOM 0 HD23 LEU A 86 21.109 -3.480 8.130 1.00 12.76 H new ATOM 1307 N GLY A 87 19.245 -4.403 3.325 1.00 11.89 N ATOM 1308 CA GLY A 87 19.392 -5.307 2.197 1.00 12.65 C ATOM 1309 C GLY A 87 20.811 -5.756 1.964 1.00 12.97 C ATOM 1310 O GLY A 87 21.176 -6.142 0.856 1.00 13.25 O ATOM 0 H GLY A 87 19.852 -3.583 3.305 1.00 11.89 H new ATOM 0 HA2 GLY A 87 18.765 -6.183 2.361 1.00 12.65 H new ATOM 0 HA3 GLY A 87 19.023 -4.815 1.297 1.00 12.65 H new ATOM 1389 N GLU A 93 25.479 -1.993 6.420 1.00 12.87 N ATOM 1390 CA GLU A 93 24.037 -1.989 6.498 1.00 12.37 C ATOM 1391 C GLU A 93 23.454 -0.600 6.375 1.00 11.13 C ATOM 1392 O GLU A 93 23.735 0.303 7.165 1.00 10.78 O ATOM 1393 CB GLU A 93 23.570 -2.676 7.766 1.00 13.03 C ATOM 1394 CG GLU A 93 23.575 -4.189 7.637 1.00 13.80 C ATOM 1395 CD GLU A 93 23.570 -4.901 8.968 1.00 14.57 C ATOM 1396 OE1 GLU A 93 24.664 -5.139 9.522 1.00 14.94 O ATOM 1397 OE2 GLU A 93 22.480 -5.247 9.461 1.00 14.92 O1- ATOM 0 HA GLU A 93 23.665 -2.554 5.643 1.00 12.37 H new ATOM 0 HB2 GLU A 93 24.215 -2.382 8.594 1.00 13.03 H new ATOM 0 HB3 GLU A 93 22.563 -2.338 8.010 1.00 13.03 H new ATOM 0 HG2 GLU A 93 22.703 -4.501 7.063 1.00 13.80 H new ATOM 0 HG3 GLU A 93 24.455 -4.496 7.072 1.00 13.80 H new ATOM 1404 N ARG A 94 22.647 -0.460 5.345 1.00 10.57 N ATOM 1405 CA ARG A 94 21.976 0.771 5.020 1.00 9.39 C ATOM 1406 C ARG A 94 20.535 0.419 4.692 1.00 8.96 C ATOM 1407 O ARG A 94 20.220 -0.753 4.470 1.00 9.64 O ATOM 1408 CB ARG A 94 22.648 1.440 3.813 1.00 9.13 C ATOM 1409 CG ARG A 94 24.126 1.758 4.014 1.00 9.07 C ATOM 1410 CD ARG A 94 24.342 3.068 4.758 1.00 9.14 C ATOM 1411 NE ARG A 94 25.752 3.308 5.076 1.00 9.49 N ATOM 1412 CZ ARG A 94 26.679 3.661 4.183 1.00 9.84 C ATOM 1413 NH1 ARG A 94 26.398 3.672 2.884 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 27.903 3.973 4.591 1.00 10.27 N ATOM 0 H ARG A 94 22.437 -1.220 4.698 1.00 10.57 H new ATOM 0 HA ARG A 94 22.024 1.471 5.854 1.00 9.39 H new ATOM 0 HB2 ARG A 94 22.543 0.788 2.946 1.00 9.13 H new ATOM 0 HB3 ARG A 94 22.118 2.364 3.583 1.00 9.13 H new ATOM 0 HG2 ARG A 94 24.597 0.946 4.569 1.00 9.07 H new ATOM 0 HG3 ARG A 94 24.619 1.809 3.043 1.00 9.07 H new ATOM 0 HD2 ARG A 94 23.964 3.892 4.153 1.00 9.14 H new ATOM 0 HD3 ARG A 94 23.762 3.058 5.681 1.00 9.14 H new ATOM 0 HE ARG A 94 26.045 3.198 6.047 1.00 9.49 H new ATOM 0 HH11 ARG A 94 25.467 3.409 2.561 1.00 9.96 H new ATOM 0 HH12 ARG A 94 27.114 3.943 2.210 1.00 9.96 H new ATOM 0 HH21 ARG A 94 28.133 3.943 5.584 1.00 10.27 H new ATOM 0 HH22 ARG A 94 28.614 4.243 3.911 1.00 10.27 H new ATOM 1428 N LEU A 95 19.670 1.403 4.672 1.00 7.97 N ATOM 1429 CA LEU A 95 18.275 1.175 4.342 1.00 7.54 C ATOM 1430 C LEU A 95 18.098 1.297 2.835 1.00 6.99 C ATOM 1431 O LEU A 95 18.269 2.370 2.262 1.00 6.27 O ATOM 1432 CB LEU A 95 17.401 2.204 5.073 1.00 6.93 C ATOM 1433 CG LEU A 95 17.352 2.086 6.606 1.00 7.79 C ATOM 1434 CD1 LEU A 95 17.207 0.637 7.037 1.00 8.88 C ATOM 1435 CD2 LEU A 95 18.578 2.718 7.247 1.00 7.89 C ATOM 0 H LEU A 95 19.903 2.374 4.880 1.00 7.97 H new ATOM 0 HA LEU A 95 17.972 0.177 4.657 1.00 7.54 H new ATOM 0 HB2 LEU A 95 17.759 3.201 4.817 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.384 2.123 4.690 1.00 6.93 H new ATOM 0 HG LEU A 95 16.474 2.632 6.951 1.00 7.79 H new ATOM 0 HD11 LEU A 95 17.175 0.583 8.125 1.00 8.88 H new ATOM 0 HD12 LEU A 95 16.285 0.226 6.626 1.00 8.88 H new ATOM 0 HD13 LEU A 95 18.057 0.061 6.670 1.00 8.88 H new ATOM 0 HD21 LEU A 95 18.514 2.619 8.331 1.00 7.89 H new ATOM 0 HD22 LEU A 95 19.476 2.215 6.889 1.00 7.89 H new ATOM 0 HD23 LEU A 95 18.624 3.774 6.982 1.00 7.89 H new ATOM 1447 N LEU A 96 17.772 0.179 2.192 1.00 7.59 N ATOM 1448 CA LEU A 96 17.723 0.131 0.736 1.00 7.52 C ATOM 1449 C LEU A 96 16.365 0.549 0.216 1.00 6.76 C ATOM 1450 O LEU A 96 15.339 0.021 0.642 1.00 6.96 O ATOM 1451 CB LEU A 96 18.060 -1.276 0.221 1.00 8.83 C ATOM 1452 CG LEU A 96 19.546 -1.597 0.078 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.258 -0.518 -0.730 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.186 -1.777 1.446 1.00 9.78 C ATOM 0 H LEU A 96 17.539 -0.700 2.654 1.00 7.59 H new ATOM 0 HA LEU A 96 18.469 0.834 0.366 1.00 7.52 H new ATOM 0 HB2 LEU A 96 17.614 -2.006 0.897 1.00 8.83 H new ATOM 0 HB3 LEU A 96 17.584 -1.410 -0.751 1.00 8.83 H new ATOM 0 HG LEU A 96 19.646 -2.536 -0.466 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.315 -0.768 -0.819 1.00 9.37 H new ATOM 0 HD12 LEU A 96 19.815 -0.456 -1.724 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.153 0.443 -0.226 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.245 -2.005 1.325 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.076 -0.859 2.023 1.00 9.78 H new ATOM 0 HD23 LEU A 96 19.696 -2.596 1.972 1.00 9.78 H new ATOM 1466 N VAL A 97 16.379 1.467 -0.736 1.00 6.13 N ATOM 1467 CA VAL A 97 15.167 1.989 -1.345 1.00 5.45 C ATOM 1468 C VAL A 97 15.418 2.258 -2.822 1.00 5.86 C ATOM 1469 O VAL A 97 16.561 2.439 -3.227 1.00 6.40 O ATOM 1470 CB VAL A 97 14.711 3.309 -0.681 1.00 4.23 C ATOM 1471 CG1 VAL A 97 14.341 3.099 0.782 1.00 4.19 C ATOM 1472 CG2 VAL A 97 15.796 4.365 -0.816 1.00 4.01 C ATOM 0 H VAL A 97 17.236 1.873 -1.110 1.00 6.13 H new ATOM 0 HA VAL A 97 14.384 1.243 -1.209 1.00 5.45 H new ATOM 0 HB VAL A 97 13.816 3.656 -1.198 1.00 4.23 H new ATOM 0 HG11 VAL A 97 14.025 4.047 1.217 1.00 4.19 H new ATOM 0 HG12 VAL A 97 13.526 2.379 0.851 1.00 4.19 H new ATOM 0 HG13 VAL A 97 15.207 2.721 1.326 1.00 4.19 H new ATOM 0 HG21 VAL A 97 15.464 5.290 -0.345 1.00 4.01 H new ATOM 0 HG22 VAL A 97 16.706 4.016 -0.328 1.00 4.01 H new ATOM 0 HG23 VAL A 97 15.997 4.547 -1.872 1.00 4.01 H new ATOM 1482 N PRO A 98 14.370 2.263 -3.649 1.00 5.92 N ATOM 1483 CA PRO A 98 14.480 2.681 -5.051 1.00 6.55 C ATOM 1484 C PRO A 98 15.073 4.088 -5.174 1.00 6.22 C ATOM 1485 O PRO A 98 14.758 4.980 -4.389 1.00 5.29 O ATOM 1486 CB PRO A 98 13.026 2.657 -5.530 1.00 6.53 C ATOM 1487 CG PRO A 98 12.369 1.654 -4.655 1.00 6.39 C ATOM 1488 CD PRO A 98 13.005 1.833 -3.307 1.00 5.71 C ATOM 0 HA PRO A 98 15.141 2.040 -5.634 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.559 3.637 -5.433 1.00 6.53 H new ATOM 0 HB3 PRO A 98 12.958 2.374 -6.580 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.292 1.818 -4.608 1.00 6.39 H new ATOM 0 HG3 PRO A 98 12.522 0.643 -5.031 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.483 2.580 -2.709 1.00 5.71 H new ATOM 0 HD3 PRO A 98 13.004 0.907 -2.732 1.00 5.71 H new ATOM 1496 N SER A 99 15.952 4.268 -6.154 1.00 7.21 N ATOM 1497 CA SER A 99 16.645 5.535 -6.366 1.00 7.37 C ATOM 1498 C SER A 99 15.681 6.705 -6.584 1.00 7.21 C ATOM 1499 O SER A 99 16.008 7.846 -6.256 1.00 7.21 O ATOM 1500 CB SER A 99 17.586 5.412 -7.563 1.00 8.73 C ATOM 1501 OG SER A 99 18.474 4.317 -7.396 1.00 9.29 O ATOM 0 H SER A 99 16.204 3.541 -6.823 1.00 7.21 H new ATOM 0 HA SER A 99 17.212 5.749 -5.460 1.00 7.37 H new ATOM 0 HB2 SER A 99 17.005 5.279 -8.476 1.00 8.73 H new ATOM 0 HB3 SER A 99 18.156 6.334 -7.679 1.00 8.73 H new ATOM 0 HG SER A 99 19.010 4.451 -6.587 1.00 9.29 H new ATOM 1507 N GLU A 100 14.500 6.435 -7.121 1.00 7.31 N ATOM 1508 CA GLU A 100 13.522 7.494 -7.348 1.00 7.41 C ATOM 1509 C GLU A 100 12.666 7.724 -6.108 1.00 6.33 C ATOM 1510 O GLU A 100 11.829 8.629 -6.093 1.00 6.56 O ATOM 1511 CB GLU A 100 12.619 7.167 -8.537 1.00 8.22 C ATOM 1512 CG GLU A 100 13.368 6.901 -9.830 1.00 9.47 C ATOM 1513 CD GLU A 100 12.436 6.758 -11.012 1.00 10.34 C ATOM 1514 OE1 GLU A 100 11.829 5.679 -11.176 1.00 10.65 O1- ATOM 1515 OE2 GLU A 100 12.294 7.734 -11.779 1.00 10.86 O ATOM 0 H GLU A 100 14.196 5.504 -7.405 1.00 7.31 H new ATOM 0 HA GLU A 100 14.079 8.405 -7.569 1.00 7.41 H new ATOM 0 HB2 GLU A 100 12.017 6.292 -8.292 1.00 8.22 H new ATOM 0 HB3 GLU A 100 11.928 7.996 -8.694 1.00 8.22 H new ATOM 0 HG2 GLU A 100 14.067 7.716 -10.017 1.00 9.47 H new ATOM 0 HG3 GLU A 100 13.960 5.992 -9.724 1.00 9.47 H new ATOM 1522 N ALA A 101 12.880 6.940 -5.067 1.00 5.34 N ATOM 1523 CA ALA A 101 12.038 7.023 -3.884 1.00 4.45 C ATOM 1524 C ALA A 101 12.312 8.300 -3.109 1.00 4.45 C ATOM 1525 O ALA A 101 11.395 8.979 -2.642 1.00 4.62 O ATOM 1526 CB ALA A 101 12.258 5.818 -2.989 1.00 3.75 C ATOM 0 H ALA A 101 13.623 6.243 -5.015 1.00 5.34 H new ATOM 0 HA ALA A 101 10.999 7.035 -4.214 1.00 4.45 H new ATOM 0 HB1 ALA A 101 11.620 5.897 -2.109 1.00 3.75 H new ATOM 0 HB2 ALA A 101 12.010 4.908 -3.536 1.00 3.75 H new ATOM 0 HB3 ALA A 101 13.302 5.782 -2.678 1.00 3.75 H new ATOM 1532 N LEU A 102 13.581 8.641 -3.009 1.00 4.73 N ATOM 1533 CA LEU A 102 13.994 9.757 -2.194 1.00 5.07 C ATOM 1534 C LEU A 102 14.069 11.045 -3.003 1.00 6.33 C ATOM 1535 O LEU A 102 14.149 11.019 -4.233 1.00 6.97 O ATOM 1536 CB LEU A 102 15.325 9.443 -1.507 1.00 4.90 C ATOM 1537 CG LEU A 102 16.455 8.966 -2.429 1.00 5.36 C ATOM 1538 CD1 LEU A 102 17.109 10.134 -3.144 1.00 6.64 C ATOM 1539 CD2 LEU A 102 17.489 8.189 -1.640 1.00 4.98 C ATOM 0 H LEU A 102 14.343 8.158 -3.485 1.00 4.73 H new ATOM 0 HA LEU A 102 13.240 9.916 -1.423 1.00 5.07 H new ATOM 0 HB2 LEU A 102 15.662 10.337 -0.983 1.00 4.90 H new ATOM 0 HB3 LEU A 102 15.151 8.677 -0.751 1.00 4.90 H new ATOM 0 HG LEU A 102 16.019 8.309 -3.182 1.00 5.36 H new ATOM 0 HD11 LEU A 102 17.906 9.765 -3.790 1.00 6.64 H new ATOM 0 HD12 LEU A 102 16.365 10.654 -3.747 1.00 6.64 H new ATOM 0 HD13 LEU A 102 17.527 10.822 -2.409 1.00 6.64 H new ATOM 0 HD21 LEU A 102 18.284 7.858 -2.309 1.00 4.98 H new ATOM 0 HD22 LEU A 102 17.911 8.828 -0.864 1.00 4.98 H new ATOM 0 HD23 LEU A 102 17.018 7.321 -1.179 1.00 4.98 H new ATOM 1551 N ILE A 103 14.036 12.162 -2.304 1.00 6.87 N ATOM 1552 CA ILE A 103 14.156 13.470 -2.919 1.00 8.18 C ATOM 1553 C ILE A 103 15.572 13.991 -2.715 1.00 8.75 C ATOM 1554 O ILE A 103 15.986 14.247 -1.585 1.00 8.67 O ATOM 1555 CB ILE A 103 13.159 14.494 -2.304 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.700 14.208 -2.701 1.00 8.52 C ATOM 1557 CG2 ILE A 103 13.530 15.916 -2.713 1.00 10.20 C ATOM 1558 CD1 ILE A 103 11.176 12.855 -2.270 1.00 8.14 C ATOM 0 H ILE A 103 13.925 12.189 -1.290 1.00 6.87 H new ATOM 0 HA ILE A 103 13.926 13.361 -3.979 1.00 8.18 H new ATOM 0 HB ILE A 103 13.234 14.390 -1.222 1.00 8.80 H new ATOM 0 HG12 ILE A 103 11.064 14.982 -2.271 1.00 8.52 H new ATOM 0 HG13 ILE A 103 11.611 14.288 -3.784 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.821 16.618 -2.273 1.00 10.20 H new ATOM 0 HG22 ILE A 103 14.535 16.146 -2.359 1.00 10.20 H new ATOM 0 HG23 ILE A 103 13.499 16.002 -3.799 1.00 10.20 H new ATOM 0 HD11 ILE A 103 10.141 12.745 -2.594 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.783 12.069 -2.721 1.00 8.14 H new ATOM 0 HD13 ILE A 103 11.226 12.774 -1.184 1.00 8.14 H new ATOM 1570 N ARG A 104 16.328 14.123 -3.785 1.00 9.50 N ATOM 1571 CA ARG A 104 17.646 14.718 -3.666 1.00 10.25 C ATOM 1572 C ARG A 104 17.567 16.218 -3.847 1.00 11.48 C ATOM 1573 O ARG A 104 17.025 16.708 -4.841 1.00 12.12 O ATOM 1574 CB ARG A 104 18.662 14.112 -4.636 1.00 10.50 C ATOM 1575 CG ARG A 104 19.305 12.835 -4.122 1.00 9.82 C ATOM 1576 CD ARG A 104 20.158 13.096 -2.886 1.00 9.98 C ATOM 1577 NE ARG A 104 21.309 13.952 -3.176 1.00 10.43 N ATOM 1578 CZ ARG A 104 22.486 13.867 -2.552 1.00 10.83 C ATOM 1579 NH1 ARG A 104 22.696 12.932 -1.634 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 23.456 14.721 -2.856 1.00 11.42 N ATOM 0 H ARG A 104 16.063 13.835 -4.727 1.00 9.50 H new ATOM 0 HA ARG A 104 18.003 14.495 -2.660 1.00 10.25 H new ATOM 0 HB2 ARG A 104 18.167 13.904 -5.585 1.00 10.50 H new ATOM 0 HB3 ARG A 104 19.442 14.846 -4.838 1.00 10.50 H new ATOM 0 HG2 ARG A 104 18.530 12.107 -3.883 1.00 9.82 H new ATOM 0 HG3 ARG A 104 19.923 12.397 -4.906 1.00 9.82 H new ATOM 0 HD2 ARG A 104 19.545 13.564 -2.116 1.00 9.98 H new ATOM 0 HD3 ARG A 104 20.507 12.146 -2.481 1.00 9.98 H new ATOM 0 HE ARG A 104 21.205 14.660 -3.903 1.00 10.43 H new ATOM 0 HH11 ARG A 104 21.955 12.271 -1.400 1.00 10.83 H new ATOM 0 HH12 ARG A 104 23.598 12.874 -1.162 1.00 10.83 H new ATOM 0 HH21 ARG A 104 23.300 15.439 -3.564 1.00 11.42 H new ATOM 0 HH22 ARG A 104 24.357 14.660 -2.382 1.00 11.42 H new ATOM 1594 N THR A 105 18.096 16.943 -2.880 1.00 11.91 N ATOM 1595 CA THR A 105 18.125 18.386 -2.953 1.00 13.15 C ATOM 1596 C THR A 105 19.348 18.935 -2.223 1.00 13.72 C ATOM 1597 O THR A 105 19.658 18.512 -1.108 1.00 13.20 O ATOM 1598 CB THR A 105 16.824 19.006 -2.386 1.00 13.31 C ATOM 1599 OG1 THR A 105 16.938 20.433 -2.307 1.00 14.61 O ATOM 1600 CG2 THR A 105 16.495 18.437 -1.013 1.00 12.61 C ATOM 0 H THR A 105 18.512 16.553 -2.034 1.00 11.91 H new ATOM 0 HA THR A 105 18.194 18.666 -4.004 1.00 13.15 H new ATOM 0 HB THR A 105 16.013 18.751 -3.068 1.00 13.31 H new ATOM 0 HG1 THR A 105 16.107 20.808 -1.948 1.00 14.61 H new ATOM 0 HG21 THR A 105 15.577 18.892 -0.641 1.00 12.61 H new ATOM 0 HG22 THR A 105 16.361 17.358 -1.089 1.00 12.61 H new ATOM 0 HG23 THR A 105 17.312 18.654 -0.324 1.00 12.61 H new ATOM 1608 N GLY A 106 20.056 19.853 -2.874 1.00 14.84 N ATOM 1609 CA GLY A 106 21.229 20.463 -2.276 1.00 15.52 C ATOM 1610 C GLY A 106 22.248 19.438 -1.817 1.00 14.91 C ATOM 1611 O GLY A 106 22.811 18.705 -2.634 1.00 14.86 O ATOM 0 H GLY A 106 19.835 20.187 -3.812 1.00 14.84 H new ATOM 0 HA2 GLY A 106 21.694 21.134 -2.999 1.00 15.52 H new ATOM 0 HA3 GLY A 106 20.924 21.073 -1.426 1.00 15.52 H new ATOM 1615 N ALA A 107 22.479 19.379 -0.515 1.00 14.57 N ATOM 1616 CA ALA A 107 23.444 18.443 0.039 1.00 14.09 C ATOM 1617 C ALA A 107 22.798 17.496 1.038 1.00 12.88 C ATOM 1618 O ALA A 107 23.413 17.116 2.036 1.00 12.64 O ATOM 1619 CB ALA A 107 24.603 19.189 0.678 1.00 14.99 C ATOM 0 H ALA A 107 22.013 19.967 0.176 1.00 14.57 H new ATOM 0 HA ALA A 107 23.828 17.839 -0.783 1.00 14.09 H new ATOM 0 HB1 ALA A 107 25.315 18.473 1.087 1.00 14.99 H new ATOM 0 HB2 ALA A 107 25.098 19.804 -0.073 1.00 14.99 H new ATOM 0 HB3 ALA A 107 24.228 19.826 1.479 1.00 14.99 H new ATOM 1625 N ARG A 108 21.564 17.106 0.763 1.00 12.19 N ATOM 1626 CA ARG A 108 20.835 16.206 1.645 1.00 11.09 C ATOM 1627 C ARG A 108 19.662 15.572 0.909 1.00 10.26 C ATOM 1628 O ARG A 108 19.453 15.830 -0.278 1.00 10.63 O ATOM 1629 CB ARG A 108 20.371 16.963 2.895 1.00 11.48 C ATOM 1630 CG ARG A 108 19.804 18.336 2.584 1.00 12.49 C ATOM 1631 CD ARG A 108 18.298 18.292 2.387 1.00 12.62 C ATOM 1632 NE ARG A 108 17.781 19.535 1.817 1.00 13.67 N ATOM 1633 CZ ARG A 108 16.760 20.227 2.326 1.00 14.22 C ATOM 1634 NH1 ARG A 108 16.262 19.922 3.522 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 16.268 21.260 1.659 1.00 15.20 N ATOM 0 H ARG A 108 21.045 17.398 -0.065 1.00 12.19 H new ATOM 0 HA ARG A 108 21.497 15.401 1.962 1.00 11.09 H new ATOM 0 HB2 ARG A 108 19.614 16.372 3.410 1.00 11.48 H new ATOM 0 HB3 ARG A 108 21.212 17.071 3.580 1.00 11.48 H new ATOM 0 HG2 ARG A 108 20.045 19.021 3.397 1.00 12.49 H new ATOM 0 HG3 ARG A 108 20.277 18.730 1.684 1.00 12.49 H new ATOM 0 HD2 ARG A 108 18.043 17.459 1.731 1.00 12.62 H new ATOM 0 HD3 ARG A 108 17.813 18.104 3.345 1.00 12.62 H new ATOM 0 HE ARG A 108 18.230 19.897 0.976 1.00 13.67 H new ATOM 0 HH11 ARG A 108 16.661 19.152 4.059 1.00 13.92 H new ATOM 0 HH12 ARG A 108 15.481 20.458 3.901 1.00 13.92 H new ATOM 0 HH21 ARG A 108 16.670 21.524 0.759 1.00 15.20 H new ATOM 0 HH22 ARG A 108 15.488 21.791 2.045 1.00 15.20 H new ATOM 1649 N THR A 109 18.901 14.746 1.604 1.00 9.26 N ATOM 1650 CA THR A 109 17.813 14.018 0.980 1.00 8.38 C ATOM 1651 C THR A 109 16.530 14.127 1.802 1.00 8.15 C ATOM 1652 O THR A 109 16.576 14.308 3.017 1.00 8.42 O ATOM 1653 CB THR A 109 18.199 12.535 0.801 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.463 12.450 0.132 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.152 11.783 0.002 1.00 6.64 C ATOM 0 H THR A 109 19.017 14.563 2.601 1.00 9.26 H new ATOM 0 HA THR A 109 17.629 14.463 0.002 1.00 8.38 H new ATOM 0 HB THR A 109 18.265 12.078 1.788 1.00 7.38 H new ATOM 0 HG1 THR A 109 20.185 12.446 0.795 1.00 7.95 H new ATOM 0 HG21 THR A 109 17.455 10.742 -0.106 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.195 11.831 0.521 1.00 6.64 H new ATOM 0 HG23 THR A 109 17.053 12.236 -0.985 1.00 6.64 H new ATOM 1663 N ILE A 110 15.391 14.054 1.125 1.00 7.89 N ATOM 1664 CA ILE A 110 14.093 14.042 1.788 1.00 7.87 C ATOM 1665 C ILE A 110 13.330 12.787 1.370 1.00 6.75 C ATOM 1666 O ILE A 110 13.517 12.282 0.267 1.00 6.24 O ATOM 1667 CB ILE A 110 13.236 15.288 1.439 1.00 9.02 C ATOM 1668 CG1 ILE A 110 14.025 16.590 1.648 1.00 10.20 C ATOM 1669 CG2 ILE A 110 11.951 15.309 2.264 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.429 16.849 3.084 1.00 10.55 C ATOM 0 H ILE A 110 15.340 14.002 0.108 1.00 7.89 H new ATOM 0 HA ILE A 110 14.275 14.054 2.863 1.00 7.87 H new ATOM 0 HB ILE A 110 12.973 15.220 0.383 1.00 9.02 H new ATOM 0 HG12 ILE A 110 14.922 16.561 1.030 1.00 10.20 H new ATOM 0 HG13 ILE A 110 13.422 17.427 1.296 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.366 16.191 2.003 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.369 14.412 2.054 1.00 9.31 H new ATOM 0 HG23 ILE A 110 12.200 15.340 3.325 1.00 9.31 H new ATOM 0 HD11 ILE A 110 14.981 17.787 3.143 1.00 10.55 H new ATOM 0 HD12 ILE A 110 13.537 16.913 3.707 1.00 10.55 H new ATOM 0 HD13 ILE A 110 15.060 16.034 3.437 1.00 10.55 H new ATOM 1682 N ALA A 111 12.496 12.275 2.254 1.00 6.58 N ATOM 1683 CA ALA A 111 11.670 11.120 1.948 1.00 5.74 C ATOM 1684 C ALA A 111 10.225 11.399 2.304 1.00 6.51 C ATOM 1685 O ALA A 111 9.929 11.798 3.426 1.00 7.39 O ATOM 1686 CB ALA A 111 12.157 9.900 2.710 1.00 5.00 C ATOM 0 H ALA A 111 12.371 12.643 3.197 1.00 6.58 H new ATOM 0 HA ALA A 111 11.743 10.921 0.879 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.526 9.044 2.468 1.00 5.00 H new ATOM 0 HB2 ALA A 111 13.187 9.682 2.428 1.00 5.00 H new ATOM 0 HB3 ALA A 111 12.107 10.096 3.781 1.00 5.00 H new ATOM 1692 N MET A 112 9.329 11.219 1.354 1.00 6.37 N ATOM 1693 CA MET A 112 7.917 11.289 1.664 1.00 7.19 C ATOM 1694 C MET A 112 7.479 9.911 2.139 1.00 6.90 C ATOM 1695 O MET A 112 7.253 9.000 1.339 1.00 6.29 O ATOM 1696 CB MET A 112 7.105 11.724 0.443 1.00 7.48 C ATOM 1697 CG MET A 112 5.690 12.152 0.803 1.00 8.19 C ATOM 1698 SD MET A 112 4.705 12.651 -0.625 1.00 8.85 S ATOM 1699 CE MET A 112 4.438 11.075 -1.431 1.00 8.24 C ATOM 0 H MET A 112 9.549 11.026 0.377 1.00 6.37 H new ATOM 0 HA MET A 112 7.743 12.032 2.442 1.00 7.19 H new ATOM 0 HB2 MET A 112 7.615 12.550 -0.053 1.00 7.48 H new ATOM 0 HB3 MET A 112 7.061 10.902 -0.271 1.00 7.48 H new ATOM 0 HG2 MET A 112 5.188 11.329 1.311 1.00 8.19 H new ATOM 0 HG3 MET A 112 5.738 12.981 1.509 1.00 8.19 H new ATOM 0 HE1 MET A 112 4.919 11.080 -2.409 1.00 8.24 H new ATOM 0 HE2 MET A 112 4.864 10.278 -0.821 1.00 8.24 H new ATOM 0 HE3 MET A 112 3.368 10.906 -1.554 1.00 8.24 H new ATOM 1709 N VAL A 113 7.390 9.768 3.453 1.00 7.60 N ATOM 1710 CA VAL A 113 7.198 8.480 4.081 1.00 7.75 C ATOM 1711 C VAL A 113 5.737 8.073 4.062 1.00 8.59 C ATOM 1712 O VAL A 113 4.848 8.891 4.311 1.00 9.48 O ATOM 1713 CB VAL A 113 7.713 8.493 5.541 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.938 9.488 6.394 1.00 9.69 C ATOM 1715 CG2 VAL A 113 7.642 7.106 6.152 1.00 8.72 C ATOM 0 H VAL A 113 7.450 10.546 4.110 1.00 7.60 H new ATOM 0 HA VAL A 113 7.773 7.752 3.508 1.00 7.75 H new ATOM 0 HB VAL A 113 8.756 8.809 5.518 1.00 8.42 H new ATOM 0 HG11 VAL A 113 7.325 9.472 7.413 1.00 9.69 H new ATOM 0 HG12 VAL A 113 7.051 10.489 5.978 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.883 9.216 6.402 1.00 9.69 H new ATOM 0 HG21 VAL A 113 8.009 7.141 7.178 1.00 8.72 H new ATOM 0 HG22 VAL A 113 6.609 6.759 6.148 1.00 8.72 H new ATOM 0 HG23 VAL A 113 8.257 6.420 5.570 1.00 8.72 H new ATOM 1725 N ALA A 114 5.495 6.813 3.745 1.00 8.43 N ATOM 1726 CA ALA A 114 4.162 6.261 3.826 1.00 9.31 C ATOM 1727 C ALA A 114 3.862 5.894 5.263 1.00 10.44 C ATOM 1728 O ALA A 114 4.284 4.842 5.752 1.00 10.70 O ATOM 1729 CB ALA A 114 4.013 5.049 2.921 1.00 8.96 C ATOM 0 H ALA A 114 6.208 6.155 3.429 1.00 8.43 H new ATOM 0 HA ALA A 114 3.448 7.011 3.486 1.00 9.31 H new ATOM 0 HB1 ALA A 114 3.000 4.656 3.003 1.00 8.96 H new ATOM 0 HB2 ALA A 114 4.206 5.340 1.888 1.00 8.96 H new ATOM 0 HB3 ALA A 114 4.726 4.281 3.221 1.00 8.96 H new ATOM 1735 N LYS A 115 3.175 6.784 5.947 1.00 11.26 N ATOM 1736 CA LYS A 115 2.843 6.572 7.336 1.00 12.43 C ATOM 1737 C LYS A 115 1.697 5.585 7.430 1.00 13.26 C ATOM 1738 O LYS A 115 0.753 5.643 6.639 1.00 13.19 O ATOM 1739 CB LYS A 115 2.465 7.895 7.998 1.00 13.13 C ATOM 1740 CG LYS A 115 2.484 7.838 9.513 1.00 13.19 C ATOM 1741 CD LYS A 115 2.124 9.177 10.122 1.00 14.08 C ATOM 1742 CE LYS A 115 2.406 9.193 11.613 1.00 14.36 C ATOM 1743 NZ LYS A 115 1.909 10.433 12.256 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.835 7.664 5.560 1.00 11.26 H new ATOM 0 HA LYS A 115 3.710 6.167 7.858 1.00 12.43 H new ATOM 0 HB2 LYS A 115 3.154 8.670 7.662 1.00 13.13 H new ATOM 0 HB3 LYS A 115 1.469 8.188 7.665 1.00 13.13 H new ATOM 0 HG2 LYS A 115 1.782 7.079 9.859 1.00 13.19 H new ATOM 0 HG3 LYS A 115 3.474 7.536 9.855 1.00 13.19 H new ATOM 0 HD2 LYS A 115 2.693 9.967 9.633 1.00 14.08 H new ATOM 0 HD3 LYS A 115 1.069 9.388 9.946 1.00 14.08 H new ATOM 0 HE2 LYS A 115 1.936 8.328 12.081 1.00 14.36 H new ATOM 0 HE3 LYS A 115 3.479 9.102 11.781 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 2.384 10.564 13.172 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 2.111 11.248 11.642 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 0.883 10.359 12.406 1.00 14.88 H new ATOM 1757 N GLY A 116 1.779 4.690 8.405 1.00 14.15 N ATOM 1758 CA GLY A 116 0.794 3.636 8.549 1.00 15.10 C ATOM 1759 C GLY A 116 -0.615 4.162 8.724 1.00 16.02 C ATOM 1760 O GLY A 116 -1.578 3.428 8.529 1.00 16.92 O ATOM 0 H GLY A 116 2.519 4.676 9.107 1.00 14.15 H new ATOM 0 HA2 GLY A 116 0.829 2.992 7.671 1.00 15.10 H new ATOM 0 HA3 GLY A 116 1.054 3.018 9.408 1.00 15.10 H new ATOM 1764 N GLU A 117 -0.741 5.441 9.067 1.00 15.88 N ATOM 1765 CA GLU A 117 -2.044 6.050 9.294 1.00 16.82 C ATOM 1766 C GLU A 117 -2.739 6.409 7.982 1.00 16.56 C ATOM 1767 O GLU A 117 -3.819 7.004 7.974 1.00 17.25 O ATOM 1768 CB GLU A 117 -1.915 7.295 10.163 1.00 17.04 C ATOM 1769 CG GLU A 117 -1.232 7.019 11.482 1.00 17.42 C ATOM 1770 CD GLU A 117 -1.288 8.200 12.426 1.00 17.95 C ATOM 1771 OE1 GLU A 117 -0.614 9.214 12.160 1.00 17.82 O1- ATOM 1772 OE2 GLU A 117 -2.016 8.123 13.436 1.00 18.56 O ATOM 0 H GLU A 117 0.047 6.076 9.194 1.00 15.88 H new ATOM 0 HA GLU A 117 -2.655 5.311 9.812 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -1.353 8.055 9.620 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -2.907 7.706 10.351 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -1.701 6.157 11.956 1.00 17.42 H new ATOM 0 HG3 GLU A 117 -0.191 6.754 11.299 1.00 17.42 H new ATOM 1779 N GLY A 118 -2.112 6.031 6.877 1.00 15.62 N ATOM 1780 CA GLY A 118 -2.710 6.217 5.569 1.00 15.41 C ATOM 1781 C GLY A 118 -2.271 7.499 4.896 1.00 14.71 C ATOM 1782 O GLY A 118 -2.810 7.873 3.853 1.00 14.71 O ATOM 0 H GLY A 118 -1.190 5.594 6.863 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -2.449 5.371 4.933 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -3.795 6.218 5.669 1.00 15.41 H new ATOM 1786 N GLY A 119 -1.274 8.155 5.474 1.00 14.19 N ATOM 1787 CA GLY A 119 -0.850 9.441 4.976 1.00 13.68 C ATOM 1788 C GLY A 119 0.614 9.456 4.605 1.00 12.53 C ATOM 1789 O GLY A 119 1.329 8.480 4.823 1.00 12.20 O ATOM 0 H GLY A 119 -0.752 7.815 6.282 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -1.447 9.705 4.103 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -1.039 10.202 5.733 1.00 13.68 H new ATOM 1793 N PHE A 120 1.056 10.566 4.050 1.00 12.03 N ATOM 1794 CA PHE A 120 2.426 10.710 3.594 1.00 10.94 C ATOM 1795 C PHE A 120 3.055 11.942 4.217 1.00 11.32 C ATOM 1796 O PHE A 120 2.426 12.998 4.300 1.00 11.97 O ATOM 1797 CB PHE A 120 2.447 10.819 2.071 1.00 10.11 C ATOM 1798 CG PHE A 120 2.007 9.566 1.367 1.00 9.82 C ATOM 1799 CD1 PHE A 120 2.901 8.533 1.147 1.00 9.56 C ATOM 1800 CD2 PHE A 120 0.702 9.425 0.925 1.00 9.99 C ATOM 1801 CE1 PHE A 120 2.502 7.379 0.501 1.00 9.49 C ATOM 1802 CE2 PHE A 120 0.296 8.272 0.278 1.00 9.89 C ATOM 1803 CZ PHE A 120 1.199 7.248 0.065 1.00 9.66 C ATOM 0 H PHE A 120 0.478 11.393 3.902 1.00 12.03 H new ATOM 0 HA PHE A 120 3.001 9.835 3.898 1.00 10.94 H new ATOM 0 HB2 PHE A 120 1.801 11.642 1.766 1.00 10.11 H new ATOM 0 HB3 PHE A 120 3.457 11.070 1.748 1.00 10.11 H new ATOM 0 HD1 PHE A 120 3.922 8.630 1.484 1.00 9.56 H new ATOM 0 HD2 PHE A 120 -0.006 10.224 1.087 1.00 9.99 H new ATOM 0 HE1 PHE A 120 3.209 6.580 0.337 1.00 9.49 H new ATOM 0 HE2 PHE A 120 -0.725 8.172 -0.060 1.00 9.89 H new ATOM 0 HZ PHE A 120 0.886 6.347 -0.442 1.00 9.66 H new ATOM 1813 N ASP A 121 4.289 11.806 4.666 1.00 11.05 N ATOM 1814 CA ASP A 121 4.954 12.886 5.375 1.00 11.56 C ATOM 1815 C ASP A 121 6.403 13.031 4.932 1.00 10.58 C ATOM 1816 O ASP A 121 7.070 12.036 4.691 1.00 9.55 O ATOM 1817 CB ASP A 121 4.869 12.618 6.874 1.00 12.35 C ATOM 1818 CG ASP A 121 5.408 13.738 7.734 1.00 13.39 C ATOM 1819 OD1 ASP A 121 4.650 14.697 7.998 1.00 13.91 O1- ATOM 1820 OD2 ASP A 121 6.570 13.653 8.173 1.00 13.79 O ATOM 0 H ASP A 121 4.850 10.962 4.553 1.00 11.05 H new ATOM 0 HA ASP A 121 4.454 13.826 5.142 1.00 11.56 H new ATOM 0 HB2 ASP A 121 3.828 12.438 7.141 1.00 12.35 H new ATOM 0 HB3 ASP A 121 5.418 11.704 7.100 1.00 12.35 H new ATOM 1825 N PRO A 122 6.913 14.256 4.812 1.00 10.99 N ATOM 1826 CA PRO A 122 8.292 14.473 4.413 1.00 10.31 C ATOM 1827 C PRO A 122 9.267 14.346 5.585 1.00 10.40 C ATOM 1828 O PRO A 122 8.997 14.798 6.700 1.00 11.44 O ATOM 1829 CB PRO A 122 8.284 15.895 3.855 1.00 11.13 C ATOM 1830 CG PRO A 122 7.084 16.573 4.445 1.00 12.35 C ATOM 1831 CD PRO A 122 6.204 15.512 5.062 1.00 12.29 C ATOM 0 HA PRO A 122 8.631 13.728 3.693 1.00 10.31 H new ATOM 0 HB2 PRO A 122 9.199 16.423 4.123 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.229 15.885 2.766 1.00 11.13 H new ATOM 0 HG2 PRO A 122 7.389 17.300 5.198 1.00 12.35 H new ATOM 0 HG3 PRO A 122 6.539 17.120 3.676 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.065 15.683 6.129 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.213 15.505 4.608 1.00 12.29 H new ATOM 1839 N VAL A 123 10.390 13.703 5.326 1.00 9.36 N ATOM 1840 CA VAL A 123 11.418 13.518 6.332 1.00 9.43 C ATOM 1841 C VAL A 123 12.789 13.813 5.731 1.00 9.05 C ATOM 1842 O VAL A 123 13.064 13.432 4.597 1.00 8.18 O ATOM 1843 CB VAL A 123 11.390 12.070 6.890 1.00 8.79 C ATOM 1844 CG1 VAL A 123 11.909 11.073 5.879 1.00 7.90 C ATOM 1845 CG2 VAL A 123 12.153 11.968 8.201 1.00 9.39 C ATOM 0 H VAL A 123 10.614 13.296 4.418 1.00 9.36 H new ATOM 0 HA VAL A 123 11.224 14.208 7.153 1.00 9.43 H new ATOM 0 HB VAL A 123 10.348 11.821 7.090 1.00 8.79 H new ATOM 0 HG11 VAL A 123 11.874 10.071 6.306 1.00 7.90 H new ATOM 0 HG12 VAL A 123 11.290 11.108 4.983 1.00 7.90 H new ATOM 0 HG13 VAL A 123 12.938 11.321 5.619 1.00 7.90 H new ATOM 0 HG21 VAL A 123 12.114 10.941 8.566 1.00 9.39 H new ATOM 0 HG22 VAL A 123 13.192 12.257 8.041 1.00 9.39 H new ATOM 0 HG23 VAL A 123 11.701 12.632 8.938 1.00 9.39 H new ATOM 1855 N GLU A 124 13.627 14.533 6.456 1.00 9.85 N ATOM 1856 CA GLU A 124 14.991 14.746 6.009 1.00 9.72 C ATOM 1857 C GLU A 124 15.841 13.536 6.367 1.00 8.90 C ATOM 1858 O GLU A 124 15.897 13.117 7.525 1.00 9.21 O ATOM 1859 CB GLU A 124 15.589 16.017 6.611 1.00 10.96 C ATOM 1860 CG GLU A 124 16.951 16.353 6.022 1.00 11.07 C ATOM 1861 CD GLU A 124 17.483 17.690 6.479 1.00 12.34 C ATOM 1862 OE1 GLU A 124 17.113 18.718 5.877 1.00 12.83 O ATOM 1863 OE2 GLU A 124 18.284 17.720 7.433 1.00 12.93 O1- ATOM 0 H GLU A 124 13.391 14.974 7.345 1.00 9.85 H new ATOM 0 HA GLU A 124 14.979 14.874 4.927 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.908 16.851 6.442 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.683 15.895 7.690 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.661 15.573 6.297 1.00 11.07 H new ATOM 0 HG3 GLU A 124 16.880 16.350 4.934 1.00 11.07 H new ATOM 1870 N VAL A 125 16.486 12.978 5.360 1.00 8.03 N ATOM 1871 CA VAL A 125 17.218 11.730 5.498 1.00 7.30 C ATOM 1872 C VAL A 125 18.594 11.838 4.857 1.00 7.38 C ATOM 1873 O VAL A 125 18.825 12.679 3.987 1.00 7.84 O ATOM 1874 CB VAL A 125 16.417 10.553 4.861 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.232 11.071 4.085 1.00 6.15 C ATOM 1876 CG2 VAL A 125 17.258 9.696 3.948 1.00 5.62 C ATOM 0 H VAL A 125 16.518 13.377 4.422 1.00 8.03 H new ATOM 0 HA VAL A 125 17.348 11.529 6.561 1.00 7.30 H new ATOM 0 HB VAL A 125 16.083 9.933 5.693 1.00 6.19 H new ATOM 0 HG11 VAL A 125 14.688 10.233 3.649 1.00 6.15 H new ATOM 0 HG12 VAL A 125 14.572 11.624 4.754 1.00 6.15 H new ATOM 0 HG13 VAL A 125 15.578 11.731 3.290 1.00 6.15 H new ATOM 0 HG21 VAL A 125 16.646 8.894 3.535 1.00 5.62 H new ATOM 0 HG22 VAL A 125 17.651 10.307 3.136 1.00 5.62 H new ATOM 0 HG23 VAL A 125 18.086 9.266 4.512 1.00 5.62 H new ATOM 1886 N LYS A 126 19.499 10.981 5.294 1.00 7.21 N ATOM 1887 CA LYS A 126 20.806 10.903 4.698 1.00 7.44 C ATOM 1888 C LYS A 126 20.817 9.810 3.654 1.00 6.77 C ATOM 1889 O LYS A 126 20.565 8.648 3.959 1.00 6.29 O ATOM 1890 CB LYS A 126 21.891 10.628 5.721 1.00 8.03 C ATOM 1891 CG LYS A 126 23.262 10.587 5.084 1.00 8.46 C ATOM 1892 CD LYS A 126 24.334 10.090 6.030 1.00 9.06 C ATOM 1893 CE LYS A 126 24.808 11.163 7.011 1.00 9.72 C ATOM 1894 NZ LYS A 126 23.810 11.487 8.069 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.345 10.329 6.063 1.00 7.21 H new ATOM 0 HA LYS A 126 21.018 11.871 4.244 1.00 7.44 H new ATOM 0 HB2 LYS A 126 21.870 11.400 6.490 1.00 8.03 H new ATOM 0 HB3 LYS A 126 21.691 9.678 6.217 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.231 9.941 4.206 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.526 11.586 4.736 1.00 8.46 H new ATOM 0 HD2 LYS A 126 23.950 9.237 6.590 1.00 9.06 H new ATOM 0 HD3 LYS A 126 25.186 9.733 5.451 1.00 9.06 H new ATOM 0 HE2 LYS A 126 25.731 10.828 7.484 1.00 9.72 H new ATOM 0 HE3 LYS A 126 25.045 12.071 6.457 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 24.267 12.047 8.817 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 23.030 12.035 7.654 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 23.436 10.606 8.475 1.00 10.39 H new ATOM 1908 N ALA A 127 21.109 10.185 2.435 1.00 7.04 N ATOM 1909 CA ALA A 127 21.067 9.258 1.328 1.00 6.78 C ATOM 1910 C ALA A 127 22.165 9.541 0.327 1.00 7.69 C ATOM 1911 O ALA A 127 22.078 10.511 -0.423 1.00 8.30 O ATOM 1912 CB ALA A 127 19.723 9.329 0.643 1.00 6.34 C ATOM 0 H ALA A 127 21.381 11.134 2.180 1.00 7.04 H new ATOM 0 HA ALA A 127 21.221 8.256 1.727 1.00 6.78 H new ATOM 0 HB1 ALA A 127 19.702 8.626 -0.190 1.00 6.34 H new ATOM 0 HB2 ALA A 127 18.938 9.072 1.354 1.00 6.34 H new ATOM 0 HB3 ALA A 127 19.558 10.340 0.270 1.00 6.34 H new ATOM 1918 N GLY A 128 23.207 8.738 0.313 1.00 8.00 N ATOM 1919 CA GLY A 128 24.137 8.864 -0.782 1.00 8.94 C ATOM 1920 C GLY A 128 24.893 7.600 -1.101 1.00 9.46 C ATOM 1921 O GLY A 128 26.093 7.513 -0.846 1.00 10.10 O ATOM 0 H GLY A 128 23.424 8.026 1.010 1.00 8.00 H new ATOM 0 HA2 GLY A 128 23.593 9.182 -1.671 1.00 8.94 H new ATOM 0 HA3 GLY A 128 24.852 9.652 -0.547 1.00 8.94 H new ATOM 1925 N ALA A 129 24.201 6.617 -1.649 1.00 9.37 N ATOM 1926 CA ALA A 129 24.821 5.572 -2.436 1.00 10.27 C ATOM 1927 C ALA A 129 23.830 5.051 -3.469 1.00 10.12 C ATOM 1928 O ALA A 129 22.628 5.291 -3.346 1.00 9.18 O ATOM 1929 CB ALA A 129 25.363 4.468 -1.562 1.00 10.61 C ATOM 0 H ALA A 129 23.189 6.523 -1.559 1.00 9.37 H new ATOM 0 HA ALA A 129 25.677 5.991 -2.965 1.00 10.27 H new ATOM 0 HB1 ALA A 129 25.821 3.701 -2.187 1.00 10.61 H new ATOM 0 HB2 ALA A 129 26.110 4.876 -0.882 1.00 10.61 H new ATOM 0 HB3 ALA A 129 24.549 4.028 -0.985 1.00 10.61 H new ATOM 1935 N THR A 130 24.311 4.354 -4.479 1.00 11.12 N ATOM 1936 CA THR A 130 23.430 3.629 -5.383 1.00 11.19 C ATOM 1937 C THR A 130 23.975 2.224 -5.601 1.00 12.15 C ATOM 1938 O THR A 130 25.178 2.040 -5.795 1.00 13.17 O ATOM 1939 CB THR A 130 23.273 4.366 -6.727 1.00 11.72 C ATOM 1940 OG1 THR A 130 22.937 5.741 -6.486 1.00 11.18 O ATOM 1941 CG2 THR A 130 22.194 3.731 -7.590 1.00 11.68 C ATOM 0 H THR A 130 25.304 4.272 -4.697 1.00 11.12 H new ATOM 0 HA THR A 130 22.441 3.567 -4.930 1.00 11.19 H new ATOM 0 HB THR A 130 24.222 4.296 -7.260 1.00 11.72 H new ATOM 0 HG1 THR A 130 22.839 6.209 -7.342 1.00 11.18 H new ATOM 0 HG21 THR A 130 22.111 4.277 -8.530 1.00 11.68 H new ATOM 0 HG22 THR A 130 22.456 2.693 -7.795 1.00 11.68 H new ATOM 0 HG23 THR A 130 21.240 3.767 -7.064 1.00 11.68 H new ATOM 1949 N ALA A 131 23.100 1.233 -5.525 1.00 11.92 N ATOM 1950 CA ALA A 131 23.525 -0.150 -5.592 1.00 12.91 C ATOM 1951 C ALA A 131 22.443 -1.056 -6.175 1.00 12.98 C ATOM 1952 O ALA A 131 21.432 -1.329 -5.522 1.00 12.19 O ATOM 1953 CB ALA A 131 23.918 -0.636 -4.206 1.00 12.87 C ATOM 0 H ALA A 131 22.094 1.364 -5.417 1.00 11.92 H new ATOM 0 HA ALA A 131 24.386 -0.198 -6.259 1.00 12.91 H new ATOM 0 HB1 ALA A 131 24.237 -1.677 -4.262 1.00 12.87 H new ATOM 0 HB2 ALA A 131 24.737 -0.026 -3.825 1.00 12.87 H new ATOM 0 HB3 ALA A 131 23.062 -0.554 -3.536 1.00 12.87 H new ATOM 1959 N GLY A 132 22.656 -1.503 -7.407 1.00 14.01 N ATOM 1960 CA GLY A 132 21.784 -2.497 -8.008 1.00 14.34 C ATOM 1961 C GLY A 132 20.409 -1.958 -8.340 1.00 13.47 C ATOM 1962 O GLY A 132 19.400 -2.606 -8.067 1.00 13.23 O ATOM 0 H GLY A 132 23.422 -1.193 -8.005 1.00 14.01 H new ATOM 0 HA2 GLY A 132 22.248 -2.876 -8.918 1.00 14.34 H new ATOM 0 HA3 GLY A 132 21.682 -3.342 -7.327 1.00 14.34 H new ATOM 1966 N GLY A 133 20.367 -0.770 -8.923 1.00 13.12 N ATOM 1967 CA GLY A 133 19.101 -0.172 -9.290 1.00 12.40 C ATOM 1968 C GLY A 133 18.353 0.369 -8.089 1.00 10.98 C ATOM 1969 O GLY A 133 17.147 0.614 -8.156 1.00 10.30 O ATOM 0 H GLY A 133 21.188 -0.209 -9.149 1.00 13.12 H new ATOM 0 HA2 GLY A 133 19.275 0.636 -10.001 1.00 12.40 H new ATOM 0 HA3 GLY A 133 18.484 -0.914 -9.796 1.00 12.40 H new ATOM 1973 N GLN A 134 19.067 0.551 -6.987 1.00 10.62 N ATOM 1974 CA GLN A 134 18.475 1.087 -5.771 1.00 9.33 C ATOM 1975 C GLN A 134 19.419 2.095 -5.154 1.00 8.96 C ATOM 1976 O GLN A 134 20.591 2.152 -5.514 1.00 9.81 O ATOM 1977 CB GLN A 134 18.173 -0.016 -4.749 1.00 9.38 C ATOM 1978 CG GLN A 134 17.158 -1.043 -5.221 1.00 9.89 C ATOM 1979 CD GLN A 134 16.740 -2.004 -4.123 1.00 10.08 C ATOM 1980 OE1 GLN A 134 16.718 -1.652 -2.942 1.00 10.39 O ATOM 1981 NE2 GLN A 134 16.396 -3.223 -4.504 1.00 10.17 N ATOM 0 H GLN A 134 20.061 0.334 -6.911 1.00 10.62 H new ATOM 0 HA GLN A 134 17.532 1.563 -6.040 1.00 9.33 H new ATOM 0 HB2 GLN A 134 19.102 -0.528 -4.499 1.00 9.38 H new ATOM 0 HB3 GLN A 134 17.807 0.445 -3.832 1.00 9.38 H new ATOM 0 HG2 GLN A 134 16.276 -0.527 -5.601 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.580 -1.609 -6.052 1.00 9.89 H new ATOM 0 HE21 GLN A 134 16.427 -3.477 -5.491 1.00 10.17 H new ATOM 0 HE22 GLN A 134 16.099 -3.909 -3.810 1.00 10.17 H new ATOM 1990 N SER A 135 18.925 2.873 -4.219 1.00 7.82 N ATOM 1991 CA SER A 135 19.751 3.830 -3.533 1.00 7.56 C ATOM 1992 C SER A 135 19.853 3.476 -2.061 1.00 7.12 C ATOM 1993 O SER A 135 19.053 2.695 -1.539 1.00 6.78 O ATOM 1994 CB SER A 135 19.231 5.255 -3.723 1.00 6.91 C ATOM 1995 OG SER A 135 19.407 5.682 -5.064 1.00 6.85 O ATOM 0 H SER A 135 17.951 2.859 -3.917 1.00 7.82 H new ATOM 0 HA SER A 135 20.750 3.791 -3.968 1.00 7.56 H new ATOM 0 HB2 SER A 135 18.175 5.299 -3.458 1.00 6.91 H new ATOM 0 HB3 SER A 135 19.757 5.931 -3.049 1.00 6.91 H new ATOM 0 HG SER A 135 19.110 6.612 -5.153 1.00 6.85 H new ATOM 2001 N GLU A 136 20.833 4.042 -1.399 1.00 7.39 N ATOM 2002 CA GLU A 136 21.069 3.745 -0.001 1.00 7.25 C ATOM 2003 C GLU A 136 20.641 4.894 0.889 1.00 6.42 C ATOM 2004 O GLU A 136 21.101 6.028 0.742 1.00 6.54 O ATOM 2005 CB GLU A 136 22.545 3.460 0.213 1.00 8.31 C ATOM 2006 CG GLU A 136 23.012 2.197 -0.482 1.00 9.31 C ATOM 2007 CD GLU A 136 24.443 1.842 -0.147 1.00 10.29 C ATOM 2008 OE1 GLU A 136 24.928 2.243 0.933 1.00 10.69 O ATOM 2009 OE2 GLU A 136 25.092 1.151 -0.961 1.00 10.79 O1- ATOM 0 H GLU A 136 21.484 4.714 -1.805 1.00 7.39 H new ATOM 0 HA GLU A 136 20.475 2.871 0.266 1.00 7.25 H new ATOM 0 HB2 GLU A 136 23.129 4.305 -0.151 1.00 8.31 H new ATOM 0 HB3 GLU A 136 22.741 3.374 1.282 1.00 8.31 H new ATOM 0 HG2 GLU A 136 22.361 1.370 -0.199 1.00 9.31 H new ATOM 0 HG3 GLU A 136 22.916 2.324 -1.560 1.00 9.31 H new ATOM 2016 N ILE A 137 19.724 4.592 1.787 1.00 5.86 N ATOM 2017 CA ILE A 137 19.377 5.497 2.857 1.00 5.49 C ATOM 2018 C ILE A 137 20.298 5.234 4.028 1.00 6.25 C ATOM 2019 O ILE A 137 20.141 4.254 4.759 1.00 6.73 O ATOM 2020 CB ILE A 137 17.900 5.357 3.287 1.00 4.93 C ATOM 2021 CG1 ILE A 137 16.984 5.831 2.163 1.00 4.16 C ATOM 2022 CG2 ILE A 137 17.621 6.136 4.569 1.00 5.24 C ATOM 2023 CD1 ILE A 137 17.342 7.201 1.647 1.00 4.21 C ATOM 0 H ILE A 137 19.202 3.716 1.793 1.00 5.86 H new ATOM 0 HA ILE A 137 19.500 6.520 2.500 1.00 5.49 H new ATOM 0 HB ILE A 137 17.700 4.305 3.489 1.00 4.93 H new ATOM 0 HG12 ILE A 137 17.028 5.117 1.341 1.00 4.16 H new ATOM 0 HG13 ILE A 137 15.955 5.842 2.521 1.00 4.16 H new ATOM 0 HG21 ILE A 137 16.573 6.018 4.846 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.253 5.755 5.371 1.00 5.24 H new ATOM 0 HG23 ILE A 137 17.837 7.192 4.407 1.00 5.24 H new ATOM 0 HD11 ILE A 137 16.654 7.481 0.849 1.00 4.21 H new ATOM 0 HD12 ILE A 137 17.271 7.925 2.458 1.00 4.21 H new ATOM 0 HD13 ILE A 137 18.361 7.189 1.260 1.00 4.21 H new ATOM 2035 N LEU A 138 21.284 6.102 4.156 1.00 6.60 N ATOM 2036 CA LEU A 138 22.315 5.979 5.167 1.00 7.40 C ATOM 2037 C LEU A 138 21.714 6.222 6.548 1.00 7.59 C ATOM 2038 O LEU A 138 21.970 5.475 7.489 1.00 8.21 O ATOM 2039 CB LEU A 138 23.450 6.983 4.876 1.00 7.87 C ATOM 2040 CG LEU A 138 24.413 6.640 3.710 1.00 8.31 C ATOM 2041 CD1 LEU A 138 23.692 6.020 2.524 1.00 7.93 C ATOM 2042 CD2 LEU A 138 25.142 7.891 3.242 1.00 8.79 C ATOM 0 H LEU A 138 21.392 6.919 3.555 1.00 6.60 H new ATOM 0 HA LEU A 138 22.731 4.972 5.146 1.00 7.40 H new ATOM 0 HB2 LEU A 138 22.999 7.953 4.668 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.043 7.095 5.783 1.00 7.87 H new ATOM 0 HG LEU A 138 25.122 5.908 4.097 1.00 8.31 H new ATOM 0 HD11 LEU A 138 24.412 5.799 1.736 1.00 7.93 H new ATOM 0 HD12 LEU A 138 23.202 5.098 2.837 1.00 7.93 H new ATOM 0 HD13 LEU A 138 22.944 6.718 2.147 1.00 7.93 H new ATOM 0 HD21 LEU A 138 25.815 7.635 2.423 1.00 8.79 H new ATOM 0 HD22 LEU A 138 24.416 8.628 2.899 1.00 8.79 H new ATOM 0 HD23 LEU A 138 25.718 8.307 4.068 1.00 8.79 H new ATOM 2054 N GLU A 139 20.896 7.265 6.647 1.00 7.31 N ATOM 2055 CA GLU A 139 20.208 7.606 7.883 1.00 7.84 C ATOM 2056 C GLU A 139 18.898 8.286 7.556 1.00 7.45 C ATOM 2057 O GLU A 139 18.687 8.704 6.427 1.00 6.77 O ATOM 2058 CB GLU A 139 21.059 8.549 8.726 1.00 8.66 C ATOM 2059 CG GLU A 139 22.201 7.867 9.446 1.00 9.21 C ATOM 2060 CD GLU A 139 22.975 8.824 10.321 1.00 9.98 C ATOM 2061 OE1 GLU A 139 23.874 9.511 9.800 1.00 10.28 O1- ATOM 2062 OE2 GLU A 139 22.670 8.904 11.530 1.00 10.44 O ATOM 0 H GLU A 139 20.693 7.896 5.872 1.00 7.31 H new ATOM 0 HA GLU A 139 20.027 6.690 8.446 1.00 7.84 H new ATOM 0 HB2 GLU A 139 21.463 9.331 8.083 1.00 8.66 H new ATOM 0 HB3 GLU A 139 20.421 9.040 9.461 1.00 8.66 H new ATOM 0 HG2 GLU A 139 21.809 7.054 10.057 1.00 9.21 H new ATOM 0 HG3 GLU A 139 22.874 7.420 8.715 1.00 9.21 H new ATOM 2069 N GLY A 140 18.020 8.398 8.532 1.00 8.06 N ATOM 2070 CA GLY A 140 16.776 9.096 8.307 1.00 8.05 C ATOM 2071 C GLY A 140 15.558 8.298 8.722 1.00 8.05 C ATOM 2072 O GLY A 140 14.809 8.711 9.606 1.00 8.87 O ATOM 0 H GLY A 140 18.143 8.021 9.472 1.00 8.06 H new ATOM 0 HA2 GLY A 140 16.790 10.037 8.858 1.00 8.05 H new ATOM 0 HA3 GLY A 140 16.694 9.347 7.249 1.00 8.05 H new ATOM 2076 N LEU A 141 15.356 7.153 8.096 1.00 7.34 N ATOM 2077 CA LEU A 141 14.145 6.379 8.326 1.00 7.46 C ATOM 2078 C LEU A 141 14.434 5.029 8.961 1.00 8.16 C ATOM 2079 O LEU A 141 15.587 4.673 9.212 1.00 8.50 O ATOM 2080 CB LEU A 141 13.362 6.195 7.026 1.00 6.40 C ATOM 2081 CG LEU A 141 12.573 7.422 6.570 1.00 6.03 C ATOM 2082 CD1 LEU A 141 11.870 7.142 5.255 1.00 5.58 C ATOM 2083 CD2 LEU A 141 11.562 7.830 7.633 1.00 6.58 C ATOM 0 H LEU A 141 16.008 6.739 7.429 1.00 7.34 H new ATOM 0 HA LEU A 141 13.537 6.947 9.030 1.00 7.46 H new ATOM 0 HB2 LEU A 141 14.059 5.915 6.236 1.00 6.40 H new ATOM 0 HB3 LEU A 141 12.670 5.362 7.151 1.00 6.40 H new ATOM 0 HG LEU A 141 13.272 8.245 6.422 1.00 6.03 H new ATOM 0 HD11 LEU A 141 11.313 8.026 4.945 1.00 5.58 H new ATOM 0 HD12 LEU A 141 12.609 6.893 4.493 1.00 5.58 H new ATOM 0 HD13 LEU A 141 11.182 6.306 5.381 1.00 5.58 H new ATOM 0 HD21 LEU A 141 11.009 8.705 7.292 1.00 6.58 H new ATOM 0 HD22 LEU A 141 10.868 7.008 7.810 1.00 6.58 H new ATOM 0 HD23 LEU A 141 12.084 8.069 8.559 1.00 6.58 H new ATOM 2095 N LYS A 142 13.364 4.285 9.200 1.00 8.54 N ATOM 2096 CA LYS A 142 13.427 3.033 9.927 1.00 9.51 C ATOM 2097 C LYS A 142 12.720 1.938 9.158 1.00 9.48 C ATOM 2098 O LYS A 142 11.788 2.194 8.393 1.00 8.97 O ATOM 2099 CB LYS A 142 12.743 3.203 11.276 1.00 10.71 C ATOM 2100 CG LYS A 142 12.809 1.981 12.169 1.00 11.83 C ATOM 2101 CD LYS A 142 12.039 2.200 13.458 1.00 12.89 C ATOM 2102 CE LYS A 142 11.887 0.907 14.235 1.00 13.50 C ATOM 2103 NZ LYS A 142 11.182 -0.128 13.436 1.00 14.15 N1+ ATOM 0 H LYS A 142 12.425 4.537 8.892 1.00 8.54 H new ATOM 0 HA LYS A 142 14.473 2.758 10.062 1.00 9.51 H new ATOM 0 HB2 LYS A 142 13.199 4.044 11.798 1.00 10.71 H new ATOM 0 HB3 LYS A 142 11.697 3.460 11.110 1.00 10.71 H new ATOM 0 HG2 LYS A 142 12.401 1.119 11.641 1.00 11.83 H new ATOM 0 HG3 LYS A 142 13.849 1.751 12.399 1.00 11.83 H new ATOM 0 HD2 LYS A 142 12.556 2.937 14.072 1.00 12.89 H new ATOM 0 HD3 LYS A 142 11.054 2.608 13.231 1.00 12.89 H new ATOM 0 HE2 LYS A 142 12.871 0.537 14.524 1.00 13.50 H new ATOM 0 HE3 LYS A 142 11.334 1.097 15.155 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 10.767 -0.836 14.074 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 10.427 0.319 12.877 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 11.858 -0.592 12.796 1.00 14.15 H new ATOM 2117 N ALA A 143 13.167 0.716 9.386 1.00 10.19 N ATOM 2118 CA ALA A 143 12.598 -0.447 8.734 1.00 10.49 C ATOM 2119 C ALA A 143 11.201 -0.709 9.259 1.00 11.20 C ATOM 2120 O ALA A 143 10.973 -0.720 10.470 1.00 12.12 O ATOM 2121 CB ALA A 143 13.475 -1.661 8.941 1.00 11.37 C ATOM 0 H ALA A 143 13.932 0.504 10.026 1.00 10.19 H new ATOM 0 HA ALA A 143 12.540 -0.248 7.664 1.00 10.49 H new ATOM 0 HB1 ALA A 143 13.028 -2.522 8.443 1.00 11.37 H new ATOM 0 HB2 ALA A 143 14.463 -1.472 8.522 1.00 11.37 H new ATOM 0 HB3 ALA A 143 13.567 -1.866 10.008 1.00 11.37 H new ATOM 2127 N GLY A 144 10.277 -0.926 8.344 1.00 10.88 N ATOM 2128 CA GLY A 144 8.887 -1.047 8.714 1.00 11.54 C ATOM 2129 C GLY A 144 8.089 0.140 8.226 1.00 10.82 C ATOM 2130 O GLY A 144 6.856 0.132 8.260 1.00 11.32 O ATOM 0 H GLY A 144 10.465 -1.021 7.346 1.00 10.88 H new ATOM 0 HA2 GLY A 144 8.474 -1.964 8.294 1.00 11.54 H new ATOM 0 HA3 GLY A 144 8.801 -1.126 9.798 1.00 11.54 H new ATOM 2134 N GLN A 145 8.798 1.167 7.771 1.00 9.74 N ATOM 2135 CA GLN A 145 8.155 2.336 7.197 1.00 9.10 C ATOM 2136 C GLN A 145 8.318 2.261 5.694 1.00 8.05 C ATOM 2137 O GLN A 145 9.147 1.503 5.222 1.00 7.35 O ATOM 2138 CB GLN A 145 8.767 3.639 7.730 1.00 8.76 C ATOM 2139 CG GLN A 145 8.969 3.660 9.240 1.00 9.88 C ATOM 2140 CD GLN A 145 9.403 5.020 9.758 1.00 10.75 C ATOM 2141 OE1 GLN A 145 10.146 5.117 10.731 1.00 11.13 O ATOM 2142 NE2 GLN A 145 8.931 6.080 9.123 1.00 11.24 N ATOM 0 H GLN A 145 9.817 1.211 7.790 1.00 9.74 H new ATOM 0 HA GLN A 145 7.101 2.342 7.475 1.00 9.10 H new ATOM 0 HB2 GLN A 145 9.729 3.802 7.243 1.00 8.76 H new ATOM 0 HB3 GLN A 145 8.123 4.472 7.449 1.00 8.76 H new ATOM 0 HG2 GLN A 145 8.040 3.369 9.730 1.00 9.88 H new ATOM 0 HG3 GLN A 145 9.719 2.917 9.512 1.00 9.88 H new ATOM 0 HE21 GLN A 145 8.316 5.960 8.318 1.00 11.24 H new ATOM 0 HE22 GLN A 145 9.182 7.017 9.438 1.00 11.24 H new ATOM 2151 N GLN A 146 7.560 3.016 4.932 1.00 8.12 N ATOM 2152 CA GLN A 146 7.748 3.002 3.484 1.00 7.34 C ATOM 2153 C GLN A 146 8.087 4.383 2.952 1.00 6.41 C ATOM 2154 O GLN A 146 7.961 5.382 3.652 1.00 6.79 O ATOM 2155 CB GLN A 146 6.538 2.456 2.729 1.00 8.14 C ATOM 2156 CG GLN A 146 5.884 1.273 3.402 1.00 9.01 C ATOM 2157 CD GLN A 146 4.872 0.577 2.517 1.00 9.89 C ATOM 2158 OE1 GLN A 146 3.694 0.933 2.495 1.00 10.17 O ATOM 2159 NE2 GLN A 146 5.324 -0.430 1.789 1.00 10.49 N ATOM 0 H GLN A 146 6.824 3.635 5.271 1.00 8.12 H new ATOM 0 HA GLN A 146 8.586 2.328 3.308 1.00 7.34 H new ATOM 0 HB2 GLN A 146 5.802 3.252 2.617 1.00 8.14 H new ATOM 0 HB3 GLN A 146 6.848 2.166 1.725 1.00 8.14 H new ATOM 0 HG2 GLN A 146 6.653 0.559 3.698 1.00 9.01 H new ATOM 0 HG3 GLN A 146 5.392 1.607 4.315 1.00 9.01 H new ATOM 0 HE21 GLN A 146 6.308 -0.692 1.837 1.00 10.49 H new ATOM 0 HE22 GLN A 146 4.688 -0.944 1.179 1.00 10.49 H new ATOM 2168 N VAL A 147 8.513 4.415 1.713 1.00 5.45 N ATOM 2169 CA VAL A 147 8.776 5.661 1.008 1.00 4.76 C ATOM 2170 C VAL A 147 8.055 5.630 -0.330 1.00 4.67 C ATOM 2171 O VAL A 147 7.733 4.556 -0.832 1.00 4.76 O ATOM 2172 CB VAL A 147 10.288 5.889 0.774 1.00 3.89 C ATOM 2173 CG1 VAL A 147 11.010 6.097 2.093 1.00 4.21 C ATOM 2174 CG2 VAL A 147 10.901 4.720 0.016 1.00 3.49 C ATOM 0 H VAL A 147 8.690 3.578 1.157 1.00 5.45 H new ATOM 0 HA VAL A 147 8.412 6.483 1.625 1.00 4.76 H new ATOM 0 HB VAL A 147 10.403 6.789 0.170 1.00 3.89 H new ATOM 0 HG11 VAL A 147 12.072 6.256 1.905 1.00 4.21 H new ATOM 0 HG12 VAL A 147 10.597 6.969 2.600 1.00 4.21 H new ATOM 0 HG13 VAL A 147 10.880 5.216 2.722 1.00 4.21 H new ATOM 0 HG21 VAL A 147 11.965 4.903 -0.137 1.00 3.49 H new ATOM 0 HG22 VAL A 147 10.769 3.804 0.592 1.00 3.49 H new ATOM 0 HG23 VAL A 147 10.408 4.615 -0.951 1.00 3.49 H new ATOM 2184 N VAL A 148 7.774 6.792 -0.892 1.00 4.95 N ATOM 2185 CA VAL A 148 7.088 6.862 -2.174 1.00 5.28 C ATOM 2186 C VAL A 148 8.049 6.536 -3.316 1.00 4.93 C ATOM 2187 O VAL A 148 9.135 7.103 -3.401 1.00 4.74 O ATOM 2188 CB VAL A 148 6.462 8.258 -2.406 1.00 6.08 C ATOM 2189 CG1 VAL A 148 7.520 9.350 -2.304 1.00 6.56 C ATOM 2190 CG2 VAL A 148 5.761 8.317 -3.754 1.00 6.56 C ATOM 0 H VAL A 148 8.008 7.697 -0.485 1.00 4.95 H new ATOM 0 HA VAL A 148 6.286 6.124 -2.155 1.00 5.28 H new ATOM 0 HB VAL A 148 5.720 8.429 -1.626 1.00 6.08 H new ATOM 0 HG11 VAL A 148 7.057 10.322 -2.471 1.00 6.56 H new ATOM 0 HG12 VAL A 148 7.971 9.328 -1.312 1.00 6.56 H new ATOM 0 HG13 VAL A 148 8.290 9.182 -3.056 1.00 6.56 H new ATOM 0 HG21 VAL A 148 5.328 9.307 -3.896 1.00 6.56 H new ATOM 0 HG22 VAL A 148 6.481 8.118 -4.548 1.00 6.56 H new ATOM 0 HG23 VAL A 148 4.970 7.568 -3.786 1.00 6.56 H new ATOM 2200 N VAL A 149 7.660 5.609 -4.181 1.00 5.25 N ATOM 2201 CA VAL A 149 8.526 5.200 -5.286 1.00 5.51 C ATOM 2202 C VAL A 149 7.781 5.220 -6.623 1.00 6.47 C ATOM 2203 O VAL A 149 8.414 5.285 -7.678 1.00 6.99 O ATOM 2204 CB VAL A 149 9.113 3.787 -5.041 1.00 5.65 C ATOM 2205 CG1 VAL A 149 9.545 3.643 -3.594 1.00 5.29 C ATOM 2206 CG2 VAL A 149 8.126 2.688 -5.406 1.00 6.22 C ATOM 0 H VAL A 149 6.761 5.129 -4.143 1.00 5.25 H new ATOM 0 HA VAL A 149 9.342 5.921 -5.333 1.00 5.51 H new ATOM 0 HB VAL A 149 9.981 3.676 -5.691 1.00 5.65 H new ATOM 0 HG11 VAL A 149 9.956 2.646 -3.434 1.00 5.29 H new ATOM 0 HG12 VAL A 149 10.306 4.390 -3.365 1.00 5.29 H new ATOM 0 HG13 VAL A 149 8.685 3.790 -2.941 1.00 5.29 H new ATOM 0 HG21 VAL A 149 8.579 1.715 -5.218 1.00 6.22 H new ATOM 0 HG22 VAL A 149 7.226 2.792 -4.800 1.00 6.22 H new ATOM 0 HG23 VAL A 149 7.865 2.769 -6.461 1.00 6.22 H new ATOM 2234 N GLN A 152 5.777 -0.252 -10.104 1.00 8.97 N ATOM 2235 CA GLN A 152 5.078 -1.504 -9.872 1.00 9.41 C ATOM 2236 C GLN A 152 6.002 -2.704 -10.043 1.00 9.73 C ATOM 2237 O GLN A 152 6.938 -2.672 -10.841 1.00 9.97 O ATOM 2238 CB GLN A 152 3.851 -1.660 -10.781 1.00 10.01 C ATOM 2239 CG GLN A 152 2.740 -0.639 -10.547 1.00 10.63 C ATOM 2240 CD GLN A 152 2.972 0.677 -11.269 1.00 11.38 C ATOM 2241 OE1 GLN A 152 3.559 1.610 -10.728 1.00 11.71 O ATOM 2242 NE2 GLN A 152 2.501 0.762 -12.501 1.00 11.84 N ATOM 0 HA GLN A 152 4.733 -1.472 -8.838 1.00 9.41 H new ATOM 0 HB2 GLN A 152 4.176 -1.590 -11.819 1.00 10.01 H new ATOM 0 HB3 GLN A 152 3.440 -2.660 -10.643 1.00 10.01 H new ATOM 0 HG2 GLN A 152 1.791 -1.063 -10.875 1.00 10.63 H new ATOM 0 HG3 GLN A 152 2.651 -0.448 -9.478 1.00 10.63 H new ATOM 0 HE21 GLN A 152 2.018 -0.034 -12.919 1.00 11.84 H new ATOM 0 HE22 GLN A 152 2.620 1.623 -13.034 1.00 11.84 H new ATOM 2251 N PHE A 153 5.728 -3.760 -9.295 1.00 9.95 N ATOM 2252 CA PHE A 153 6.477 -5.003 -9.412 1.00 10.47 C ATOM 2253 C PHE A 153 5.642 -6.034 -10.175 1.00 10.93 C ATOM 2254 O PHE A 153 4.445 -5.823 -10.375 1.00 11.34 O ATOM 2255 CB PHE A 153 6.859 -5.520 -8.016 1.00 10.62 C ATOM 2256 CG PHE A 153 7.793 -6.702 -8.010 1.00 11.04 C ATOM 2257 CD1 PHE A 153 8.942 -6.703 -8.784 1.00 11.27 C ATOM 2258 CD2 PHE A 153 7.519 -7.811 -7.227 1.00 11.41 C ATOM 2259 CE1 PHE A 153 9.800 -7.785 -8.777 1.00 11.87 C ATOM 2260 CE2 PHE A 153 8.374 -8.896 -7.215 1.00 12.02 C ATOM 2261 CZ PHE A 153 9.516 -8.883 -7.991 1.00 12.24 C ATOM 0 H PHE A 153 4.987 -3.782 -8.595 1.00 9.95 H new ATOM 0 HA PHE A 153 7.398 -4.826 -9.968 1.00 10.47 H new ATOM 0 HB2 PHE A 153 7.323 -4.707 -7.458 1.00 10.62 H new ATOM 0 HB3 PHE A 153 5.948 -5.793 -7.484 1.00 10.62 H new ATOM 0 HD1 PHE A 153 9.170 -5.846 -9.401 1.00 11.27 H new ATOM 0 HD2 PHE A 153 6.627 -7.828 -6.619 1.00 11.41 H new ATOM 0 HE1 PHE A 153 10.692 -7.772 -9.386 1.00 11.87 H new ATOM 0 HE2 PHE A 153 8.149 -9.754 -6.599 1.00 12.02 H new ATOM 0 HZ PHE A 153 10.186 -9.730 -7.983 1.00 12.24 H new ATOM 2271 N LEU A 154 6.253 -7.126 -10.615 1.00 11.05 N ATOM 2272 CA LEU A 154 5.531 -8.122 -11.399 1.00 11.63 C ATOM 2273 C LEU A 154 4.512 -8.867 -10.539 1.00 11.39 C ATOM 2274 O LEU A 154 3.306 -8.807 -10.798 1.00 11.57 O ATOM 2275 CB LEU A 154 6.485 -9.117 -12.074 1.00 12.16 C ATOM 2276 CG LEU A 154 7.304 -8.567 -13.251 1.00 12.68 C ATOM 2277 CD1 LEU A 154 8.331 -7.545 -12.783 1.00 13.16 C ATOM 2278 CD2 LEU A 154 7.988 -9.705 -13.993 1.00 13.04 C ATOM 0 H LEU A 154 7.235 -7.344 -10.446 1.00 11.05 H new ATOM 0 HA LEU A 154 4.998 -7.584 -12.183 1.00 11.63 H new ATOM 0 HB2 LEU A 154 7.176 -9.496 -11.321 1.00 12.16 H new ATOM 0 HB3 LEU A 154 5.902 -9.967 -12.428 1.00 12.16 H new ATOM 0 HG LEU A 154 6.618 -8.062 -13.931 1.00 12.68 H new ATOM 0 HD11 LEU A 154 8.894 -7.176 -13.640 1.00 13.16 H new ATOM 0 HD12 LEU A 154 7.821 -6.713 -12.298 1.00 13.16 H new ATOM 0 HD13 LEU A 154 9.015 -8.014 -12.075 1.00 13.16 H new ATOM 0 HD21 LEU A 154 8.565 -9.302 -14.825 1.00 13.04 H new ATOM 0 HD22 LEU A 154 8.654 -10.235 -13.312 1.00 13.04 H new ATOM 0 HD23 LEU A 154 7.235 -10.395 -14.374 1.00 13.04 H new ATOM 2290 N ILE A 155 4.990 -9.550 -9.508 1.00 11.17 N ATOM 2291 CA ILE A 155 4.103 -10.240 -8.583 1.00 11.08 C ATOM 2292 C ILE A 155 4.376 -9.785 -7.145 1.00 10.31 C ATOM 2293 O ILE A 155 5.444 -10.024 -6.587 1.00 9.93 O ATOM 2294 CB ILE A 155 4.218 -11.780 -8.719 1.00 11.39 C ATOM 2295 CG1 ILE A 155 3.280 -12.472 -7.728 1.00 11.61 C ATOM 2296 CG2 ILE A 155 5.656 -12.248 -8.532 1.00 11.66 C ATOM 2297 CD1 ILE A 155 3.195 -13.970 -7.914 1.00 11.95 C ATOM 0 H ILE A 155 5.983 -9.641 -9.292 1.00 11.17 H new ATOM 0 HA ILE A 155 3.077 -9.975 -8.839 1.00 11.08 H new ATOM 0 HB ILE A 155 3.916 -12.055 -9.729 1.00 11.39 H new ATOM 0 HG12 ILE A 155 3.617 -12.260 -6.714 1.00 11.61 H new ATOM 0 HG13 ILE A 155 2.282 -12.045 -7.828 1.00 11.61 H new ATOM 0 HG21 ILE A 155 5.702 -13.332 -8.633 1.00 11.66 H new ATOM 0 HG22 ILE A 155 6.290 -11.786 -9.288 1.00 11.66 H new ATOM 0 HG23 ILE A 155 6.006 -11.961 -7.540 1.00 11.66 H new ATOM 0 HD11 ILE A 155 2.512 -14.390 -7.176 1.00 11.95 H new ATOM 0 HD12 ILE A 155 2.828 -14.192 -8.916 1.00 11.95 H new ATOM 0 HD13 ILE A 155 4.184 -14.409 -7.784 1.00 11.95 H new ATOM 2309 N ASP A 156 3.405 -9.100 -6.563 1.00 10.31 N ATOM 2310 CA ASP A 156 3.584 -8.466 -5.258 1.00 9.81 C ATOM 2311 C ASP A 156 3.351 -9.445 -4.109 1.00 9.63 C ATOM 2312 O ASP A 156 3.466 -9.088 -2.935 1.00 9.09 O ATOM 2313 CB ASP A 156 2.627 -7.282 -5.128 1.00 10.26 C ATOM 2314 CG ASP A 156 2.943 -6.382 -3.948 1.00 10.68 C ATOM 2315 OD1 ASP A 156 3.991 -5.706 -3.977 1.00 11.22 O ATOM 2316 OD2 ASP A 156 2.121 -6.310 -3.011 1.00 10.64 O1- ATOM 0 H ASP A 156 2.480 -8.966 -6.972 1.00 10.31 H new ATOM 0 HA ASP A 156 4.617 -8.123 -5.195 1.00 9.81 H new ATOM 0 HB2 ASP A 156 2.662 -6.693 -6.045 1.00 10.26 H new ATOM 0 HB3 ASP A 156 1.608 -7.656 -5.028 1.00 10.26 H new ATOM 2321 N SER A 157 3.027 -10.688 -4.461 1.00 10.26 N ATOM 2322 CA SER A 157 2.706 -11.705 -3.471 1.00 10.38 C ATOM 2323 C SER A 157 3.862 -11.912 -2.508 1.00 9.63 C ATOM 2324 O SER A 157 3.625 -12.039 -1.313 1.00 9.37 O ATOM 2325 CB SER A 157 2.329 -13.026 -4.144 1.00 11.42 C ATOM 2326 OG SER A 157 1.357 -12.819 -5.154 1.00 11.90 O ATOM 0 H SER A 157 2.981 -11.012 -5.427 1.00 10.26 H new ATOM 0 HA SER A 157 1.846 -11.353 -2.902 1.00 10.38 H new ATOM 0 HB2 SER A 157 3.218 -13.485 -4.577 1.00 11.42 H new ATOM 0 HB3 SER A 157 1.943 -13.721 -3.399 1.00 11.42 H new ATOM 0 HG SER A 157 1.132 -13.676 -5.572 1.00 11.90 H new ATOM 2332 N GLU A 158 5.085 -11.968 -3.004 1.00 9.47 N ATOM 2333 CA GLU A 158 6.238 -12.179 -2.131 1.00 9.00 C ATOM 2334 C GLU A 158 6.213 -11.166 -0.989 1.00 8.03 C ATOM 2335 O GLU A 158 6.192 -11.539 0.192 1.00 7.69 O ATOM 2336 CB GLU A 158 7.538 -12.058 -2.930 1.00 9.38 C ATOM 2337 CG GLU A 158 8.777 -12.480 -2.155 1.00 10.19 C ATOM 2338 CD GLU A 158 10.020 -12.507 -3.020 1.00 10.79 C ATOM 2339 OE1 GLU A 158 10.188 -13.468 -3.799 1.00 11.06 O ATOM 2340 OE2 GLU A 158 10.842 -11.570 -2.927 1.00 11.17 O1- ATOM 0 H GLU A 158 5.310 -11.872 -3.994 1.00 9.47 H new ATOM 0 HA GLU A 158 6.188 -13.183 -1.711 1.00 9.00 H new ATOM 0 HB2 GLU A 158 7.459 -12.668 -3.830 1.00 9.38 H new ATOM 0 HB3 GLU A 158 7.659 -11.025 -3.255 1.00 9.38 H new ATOM 0 HG2 GLU A 158 8.932 -11.794 -1.322 1.00 10.19 H new ATOM 0 HG3 GLU A 158 8.615 -13.469 -1.727 1.00 10.19 H new ATOM 2347 N ALA A 159 6.149 -9.893 -1.372 1.00 7.82 N ATOM 2348 CA ALA A 159 6.101 -8.776 -0.433 1.00 7.20 C ATOM 2349 C ALA A 159 4.884 -8.869 0.480 1.00 7.12 C ATOM 2350 O ALA A 159 4.991 -8.683 1.692 1.00 6.81 O ATOM 2351 CB ALA A 159 6.070 -7.467 -1.208 1.00 7.44 C ATOM 0 H ALA A 159 6.129 -9.606 -2.351 1.00 7.82 H new ATOM 0 HA ALA A 159 6.992 -8.815 0.194 1.00 7.20 H new ATOM 0 HB1 ALA A 159 6.034 -6.631 -0.509 1.00 7.44 H new ATOM 0 HB2 ALA A 159 6.966 -7.387 -1.823 1.00 7.44 H new ATOM 0 HB3 ALA A 159 5.188 -7.444 -1.847 1.00 7.44 H new ATOM 2357 N SER A 160 3.737 -9.164 -0.114 1.00 7.72 N ATOM 2358 CA SER A 160 2.480 -9.264 0.615 1.00 8.04 C ATOM 2359 C SER A 160 2.542 -10.321 1.711 1.00 7.99 C ATOM 2360 O SER A 160 1.950 -10.165 2.780 1.00 8.08 O ATOM 2361 CB SER A 160 1.352 -9.582 -0.359 1.00 8.99 C ATOM 2362 OG SER A 160 1.073 -8.464 -1.185 1.00 9.64 O ATOM 0 H SER A 160 3.651 -9.341 -1.115 1.00 7.72 H new ATOM 0 HA SER A 160 2.292 -8.305 1.099 1.00 8.04 H new ATOM 0 HB2 SER A 160 1.628 -10.437 -0.976 1.00 8.99 H new ATOM 0 HB3 SER A 160 0.456 -9.864 0.194 1.00 8.99 H new ATOM 0 HG SER A 160 1.743 -8.409 -1.898 1.00 9.64 H new ATOM 2368 N LEU A 161 3.268 -11.399 1.420 1.00 8.10 N ATOM 2369 CA LEU A 161 3.399 -12.525 2.331 1.00 8.40 C ATOM 2370 C LEU A 161 4.062 -12.111 3.640 1.00 7.89 C ATOM 2371 O LEU A 161 3.897 -12.784 4.656 1.00 8.18 O ATOM 2372 CB LEU A 161 4.194 -13.654 1.666 1.00 9.04 C ATOM 2373 CG LEU A 161 3.502 -14.346 0.488 1.00 9.80 C ATOM 2374 CD1 LEU A 161 4.397 -15.431 -0.090 1.00 10.57 C ATOM 2375 CD2 LEU A 161 2.163 -14.932 0.912 1.00 10.37 C ATOM 0 H LEU A 161 3.780 -11.512 0.545 1.00 8.10 H new ATOM 0 HA LEU A 161 2.397 -12.884 2.565 1.00 8.40 H new ATOM 0 HB2 LEU A 161 5.145 -13.249 1.319 1.00 9.04 H new ATOM 0 HB3 LEU A 161 4.424 -14.405 2.421 1.00 9.04 H new ATOM 0 HG LEU A 161 3.316 -13.599 -0.284 1.00 9.80 H new ATOM 0 HD11 LEU A 161 3.891 -15.913 -0.926 1.00 10.57 H new ATOM 0 HD12 LEU A 161 5.329 -14.986 -0.438 1.00 10.57 H new ATOM 0 HD13 LEU A 161 4.613 -16.172 0.679 1.00 10.57 H new ATOM 0 HD21 LEU A 161 1.692 -15.418 0.058 1.00 10.37 H new ATOM 0 HD22 LEU A 161 2.321 -15.664 1.704 1.00 10.37 H new ATOM 0 HD23 LEU A 161 1.516 -14.135 1.278 1.00 10.37 H new ATOM 2387 N ARG A 162 4.808 -11.009 3.619 1.00 7.38 N ATOM 2388 CA ARG A 162 5.389 -10.473 4.843 1.00 7.17 C ATOM 2389 C ARG A 162 4.369 -9.622 5.558 1.00 6.87 C ATOM 2390 O ARG A 162 3.897 -8.620 5.021 1.00 6.95 O ATOM 2391 CB ARG A 162 6.632 -9.614 4.586 1.00 7.15 C ATOM 2392 CG ARG A 162 7.836 -10.382 4.093 1.00 7.34 C ATOM 2393 CD ARG A 162 7.724 -10.655 2.616 1.00 7.40 C ATOM 2394 NE ARG A 162 8.890 -11.360 2.099 1.00 7.84 N ATOM 2395 CZ ARG A 162 9.812 -10.807 1.312 1.00 8.24 C ATOM 2396 NH1 ARG A 162 9.755 -9.513 1.013 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 10.811 -11.543 0.850 1.00 8.90 N ATOM 0 H ARG A 162 5.022 -10.476 2.776 1.00 7.38 H new ATOM 0 HA ARG A 162 5.688 -11.330 5.447 1.00 7.17 H new ATOM 0 HB2 ARG A 162 6.382 -8.847 3.853 1.00 7.15 H new ATOM 0 HB3 ARG A 162 6.899 -9.099 5.509 1.00 7.15 H new ATOM 0 HG2 ARG A 162 8.744 -9.814 4.295 1.00 7.34 H new ATOM 0 HG3 ARG A 162 7.921 -11.323 4.637 1.00 7.34 H new ATOM 0 HD2 ARG A 162 6.829 -11.246 2.424 1.00 7.40 H new ATOM 0 HD3 ARG A 162 7.604 -9.713 2.082 1.00 7.40 H new ATOM 0 HE ARG A 162 9.008 -12.340 2.356 1.00 7.84 H new ATOM 0 HH11 ARG A 162 9.002 -8.936 1.387 1.00 8.25 H new ATOM 0 HH12 ARG A 162 10.465 -9.097 0.410 1.00 8.25 H new ATOM 0 HH21 ARG A 162 10.873 -12.531 1.097 1.00 8.90 H new ATOM 0 HH22 ARG A 162 11.518 -11.122 0.247 1.00 8.90 H new ATOM 2411 N GLY A 163 4.010 -10.028 6.754 1.00 6.89 N ATOM 2412 CA GLY A 163 3.127 -9.223 7.548 1.00 7.01 C ATOM 2413 C GLY A 163 1.725 -9.784 7.613 1.00 6.68 C ATOM 2414 O GLY A 163 0.943 -9.415 8.489 1.00 7.15 O ATOM 0 H GLY A 163 4.313 -10.899 7.189 1.00 6.89 H new ATOM 0 HA2 GLY A 163 3.528 -9.140 8.558 1.00 7.01 H new ATOM 0 HA3 GLY A 163 3.092 -8.215 7.135 1.00 7.01 H new ATOM 2418 N THR A 164 1.399 -10.665 6.683 1.00 6.17 N ATOM 2419 CA THR A 164 0.099 -11.309 6.675 1.00 6.16 C ATOM 2420 C THR A 164 0.199 -12.729 7.222 1.00 6.65 C ATOM 2421 O THR A 164 -0.167 -12.990 8.368 1.00 7.09 O ATOM 2422 CB THR A 164 -0.499 -11.336 5.257 1.00 6.38 C ATOM 2423 OG1 THR A 164 0.494 -11.777 4.319 1.00 6.86 O ATOM 2424 CG2 THR A 164 -1.021 -9.963 4.860 1.00 6.23 C ATOM 0 H THR A 164 2.018 -10.950 5.924 1.00 6.17 H new ATOM 0 HA THR A 164 -0.562 -10.727 7.317 1.00 6.16 H new ATOM 0 HB THR A 164 -1.337 -12.033 5.249 1.00 6.38 H new ATOM 0 HG1 THR A 164 0.765 -11.025 3.752 1.00 6.86 H new ATOM 0 HG21 THR A 164 -1.438 -10.009 3.854 1.00 6.23 H new ATOM 0 HG22 THR A 164 -1.796 -9.652 5.560 1.00 6.23 H new ATOM 0 HG23 THR A 164 -0.203 -9.243 4.881 1.00 6.23 H new ATOM 2432 N VAL A 165 0.711 -13.637 6.402 1.00 6.89 N ATOM 2433 CA VAL A 165 0.883 -15.024 6.808 1.00 7.69 C ATOM 2434 C VAL A 165 2.225 -15.204 7.518 1.00 7.93 C ATOM 2435 O VAL A 165 2.404 -16.115 8.323 1.00 8.39 O ATOM 2436 CB VAL A 165 0.785 -15.979 5.592 1.00 8.39 C ATOM 2437 CG1 VAL A 165 1.904 -15.715 4.594 1.00 9.20 C ATOM 2438 CG2 VAL A 165 0.790 -17.434 6.038 1.00 8.56 C ATOM 0 H VAL A 165 1.015 -13.436 5.449 1.00 6.89 H new ATOM 0 HA VAL A 165 0.079 -15.277 7.500 1.00 7.69 H new ATOM 0 HB VAL A 165 -0.163 -15.782 5.092 1.00 8.39 H new ATOM 0 HG11 VAL A 165 1.809 -16.400 3.752 1.00 9.20 H new ATOM 0 HG12 VAL A 165 1.837 -14.688 4.236 1.00 9.20 H new ATOM 0 HG13 VAL A 165 2.868 -15.868 5.079 1.00 9.20 H new ATOM 0 HG21 VAL A 165 0.720 -18.082 5.165 1.00 8.56 H new ATOM 0 HG22 VAL A 165 1.714 -17.647 6.575 1.00 8.56 H new ATOM 0 HG23 VAL A 165 -0.061 -17.616 6.694 1.00 8.56 H new ATOM 2448 N ALA A 166 3.160 -14.314 7.222 1.00 7.88 N ATOM 2449 CA ALA A 166 4.467 -14.344 7.855 1.00 8.33 C ATOM 2450 C ALA A 166 4.603 -13.209 8.853 1.00 8.94 C ATOM 2451 O ALA A 166 4.122 -12.103 8.614 1.00 9.11 O ATOM 2452 CB ALA A 166 5.565 -14.243 6.812 1.00 8.31 C ATOM 0 H ALA A 166 3.036 -13.561 6.545 1.00 7.88 H new ATOM 0 HA ALA A 166 4.566 -15.292 8.383 1.00 8.33 H new ATOM 0 HB1 ALA A 166 6.537 -14.267 7.304 1.00 8.31 H new ATOM 0 HB2 ALA A 166 5.488 -15.082 6.120 1.00 8.31 H new ATOM 0 HB3 ALA A 166 5.460 -13.308 6.262 1.00 8.31 H new