USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=25 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 99 SER OG : rot 58:sc= 0.369 USER MOD Set 1.2: A 130 THR OG1 : rot 180:sc= -0.036 USER MOD Set 1.3: A 135 SER OG : rot -177:sc= -1.22! USER MOD Set 2.1: A 81 THR OG1 : rot 143:sc= 0.563 USER MOD Set 2.2: A 146 GLN :FLIP amide:sc= 0.512 F(o=-0.53,f=1.1) USER MOD Set 3.1: A 46 SER OG : rot 157:sc= 0.52 USER MOD Set 3.2: A 49 MET CE :methyl 167:sc= -2.41! (180deg=-2.84!) USER MOD Set 4.1: A 34 MET CE :methyl 152:sc= -1.56 (180deg=-3.7!) USER MOD Set 4.2: A 51 MET CE :methyl -172:sc= -0.74 (180deg=-0.831) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0688) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0226 K(o=-0.023,f=-0.66) USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.704) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 TYR OH : rot -130:sc= -0.0736 USER MOD Single : A 85 LYS NZ :NH3+ -140:sc= 0.224 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 100:sc= -0.587 USER MOD Single : A 112 MET CE :methyl -124:sc= -0.0944 (180deg=-1.91) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -167:sc= -0.0191 (180deg=-0.182) USER MOD Single : A 134 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 142 LYS NZ :NH3+ -168:sc= -0.0256 (180deg=-0.22) USER MOD Single : A 145 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.9!) USER MOD Single : A 152 GLN :FLIP amide:sc= -0.281 F(o=-0.8,f=-0.28) USER MOD Single : A 157 SER OG : rot 180:sc=0.000505 USER MOD Single : A 160 SER OG : rot -81:sc= 0.331 USER MOD Single : A 164 THR OG1 : rot 180:sc= -0.0575 USER MOD ----------------------------------------------------------------- ATOM 308 N LYS A 25 -16.723 -15.155 -8.287 1.00 8.70 N ATOM 309 CA LYS A 25 -15.905 -16.298 -8.661 1.00 8.11 C ATOM 310 C LYS A 25 -14.476 -15.963 -8.330 1.00 7.19 C ATOM 311 O LYS A 25 -13.616 -15.865 -9.197 1.00 6.94 O ATOM 312 CB LYS A 25 -16.084 -16.669 -10.142 1.00 8.62 C ATOM 313 CG LYS A 25 -17.336 -17.498 -10.424 1.00 9.02 C ATOM 314 CD LYS A 25 -18.612 -16.732 -10.098 1.00 9.74 C ATOM 315 CE LYS A 25 -19.851 -17.598 -10.258 1.00 10.22 C ATOM 316 NZ LYS A 25 -20.029 -18.065 -11.655 1.00 10.38 N1+ ATOM 0 HA LYS A 25 -16.217 -17.180 -8.102 1.00 8.11 H new ATOM 0 HB2 LYS A 25 -16.125 -15.754 -10.733 1.00 8.62 H new ATOM 0 HB3 LYS A 25 -15.208 -17.226 -10.476 1.00 8.62 H new ATOM 0 HG2 LYS A 25 -17.348 -17.792 -11.474 1.00 9.02 H new ATOM 0 HG3 LYS A 25 -17.304 -18.415 -9.836 1.00 9.02 H new ATOM 0 HD2 LYS A 25 -18.560 -16.359 -9.075 1.00 9.74 H new ATOM 0 HD3 LYS A 25 -18.690 -15.863 -10.751 1.00 9.74 H new ATOM 0 HE2 LYS A 25 -19.778 -18.460 -9.595 1.00 10.22 H new ATOM 0 HE3 LYS A 25 -20.730 -17.032 -9.951 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 -20.944 -18.551 -11.745 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 -20.005 -17.249 -12.299 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 -19.262 -18.723 -11.901 1.00 10.38 H new ATOM 330 N ARG A 26 -14.264 -15.762 -7.044 1.00 6.90 N ATOM 331 CA ARG A 26 -12.987 -15.348 -6.515 1.00 6.23 C ATOM 332 C ARG A 26 -12.582 -16.296 -5.388 1.00 5.83 C ATOM 333 O ARG A 26 -13.430 -16.797 -4.645 1.00 6.27 O ATOM 334 CB ARG A 26 -13.118 -13.913 -6.019 1.00 6.68 C ATOM 335 CG ARG A 26 -13.730 -13.778 -4.641 1.00 7.16 C ATOM 336 CD ARG A 26 -13.320 -12.469 -3.984 1.00 7.38 C ATOM 337 NE ARG A 26 -13.986 -12.262 -2.699 1.00 7.54 N ATOM 338 CZ ARG A 26 -13.423 -12.515 -1.516 1.00 7.99 C ATOM 339 NH1 ARG A 26 -12.193 -13.012 -1.452 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 -14.097 -12.275 -0.397 1.00 8.37 N ATOM 0 H ARG A 26 -14.984 -15.884 -6.332 1.00 6.90 H new ATOM 0 HA ARG A 26 -12.212 -15.385 -7.280 1.00 6.23 H new ATOM 0 HB2 ARG A 26 -12.130 -13.453 -6.010 1.00 6.68 H new ATOM 0 HB3 ARG A 26 -13.725 -13.351 -6.729 1.00 6.68 H new ATOM 0 HG2 ARG A 26 -14.816 -13.826 -4.716 1.00 7.16 H new ATOM 0 HG3 ARG A 26 -13.417 -14.615 -4.017 1.00 7.16 H new ATOM 0 HD2 ARG A 26 -12.240 -12.461 -3.837 1.00 7.38 H new ATOM 0 HD3 ARG A 26 -13.556 -11.640 -4.651 1.00 7.38 H new ATOM 0 HE ARG A 26 -14.940 -11.902 -2.707 1.00 7.54 H new ATOM 0 HH11 ARG A 26 -11.674 -13.202 -2.310 1.00 8.33 H new ATOM 0 HH12 ARG A 26 -11.767 -13.204 -0.545 1.00 8.33 H new ATOM 0 HH21 ARG A 26 -15.044 -11.898 -0.443 1.00 8.37 H new ATOM 0 HH22 ARG A 26 -13.668 -12.468 0.508 1.00 8.37 H new ATOM 354 N ILE A 27 -11.275 -16.535 -5.291 1.00 5.15 N ATOM 355 CA ILE A 27 -10.721 -17.622 -4.486 1.00 4.81 C ATOM 356 C ILE A 27 -11.174 -17.619 -3.044 1.00 5.34 C ATOM 357 O ILE A 27 -11.007 -16.644 -2.310 1.00 5.76 O ATOM 358 CB ILE A 27 -9.181 -17.621 -4.512 1.00 4.32 C ATOM 359 CG1 ILE A 27 -8.669 -18.059 -5.875 1.00 4.09 C ATOM 360 CG2 ILE A 27 -8.609 -18.511 -3.423 1.00 4.22 C ATOM 361 CD1 ILE A 27 -9.092 -19.442 -6.286 1.00 4.18 C ATOM 0 H ILE A 27 -10.568 -15.978 -5.771 1.00 5.15 H new ATOM 0 HA ILE A 27 -11.110 -18.526 -4.954 1.00 4.81 H new ATOM 0 HB ILE A 27 -8.847 -16.601 -4.323 1.00 4.32 H new ATOM 0 HG12 ILE A 27 -9.017 -17.349 -6.625 1.00 4.09 H new ATOM 0 HG13 ILE A 27 -7.580 -18.012 -5.872 1.00 4.09 H new ATOM 0 HG21 ILE A 27 -7.520 -18.488 -3.469 1.00 4.22 H new ATOM 0 HG22 ILE A 27 -8.939 -18.151 -2.448 1.00 4.22 H new ATOM 0 HG23 ILE A 27 -8.957 -19.534 -3.569 1.00 4.22 H new ATOM 0 HD11 ILE A 27 -8.682 -19.671 -7.270 1.00 4.18 H new ATOM 0 HD12 ILE A 27 -8.721 -20.166 -5.561 1.00 4.18 H new ATOM 0 HD13 ILE A 27 -10.180 -19.493 -6.326 1.00 4.18 H new ATOM 373 N LEU A 28 -11.714 -18.758 -2.668 1.00 5.52 N ATOM 374 CA LEU A 28 -12.092 -19.033 -1.302 1.00 6.20 C ATOM 375 C LEU A 28 -11.167 -20.087 -0.692 1.00 6.05 C ATOM 376 O LEU A 28 -10.816 -19.999 0.483 1.00 6.59 O ATOM 377 CB LEU A 28 -13.540 -19.513 -1.266 1.00 6.86 C ATOM 378 CG LEU A 28 -14.605 -18.423 -1.433 1.00 7.51 C ATOM 379 CD1 LEU A 28 -16.000 -19.025 -1.338 1.00 8.22 C ATOM 380 CD2 LEU A 28 -14.426 -17.327 -0.391 1.00 7.71 C ATOM 0 H LEU A 28 -11.904 -19.527 -3.311 1.00 5.52 H new ATOM 0 HA LEU A 28 -12.000 -18.120 -0.714 1.00 6.20 H new ATOM 0 HB2 LEU A 28 -13.678 -20.254 -2.054 1.00 6.86 H new ATOM 0 HB3 LEU A 28 -13.712 -20.021 -0.317 1.00 6.86 H new ATOM 0 HG LEU A 28 -14.485 -17.977 -2.420 1.00 7.51 H new ATOM 0 HD11 LEU A 28 -16.745 -18.238 -1.459 1.00 8.22 H new ATOM 0 HD12 LEU A 28 -16.129 -19.770 -2.123 1.00 8.22 H new ATOM 0 HD13 LEU A 28 -16.127 -19.498 -0.364 1.00 8.22 H new ATOM 0 HD21 LEU A 28 -15.193 -16.565 -0.529 1.00 7.71 H new ATOM 0 HD22 LEU A 28 -14.516 -17.756 0.607 1.00 7.71 H new ATOM 0 HD23 LEU A 28 -13.441 -16.875 -0.504 1.00 7.71 H new ATOM 392 N TYR A 29 -10.765 -21.078 -1.498 1.00 5.47 N ATOM 393 CA TYR A 29 -9.937 -22.182 -1.005 1.00 5.43 C ATOM 394 C TYR A 29 -9.410 -23.045 -2.160 1.00 4.86 C ATOM 395 O TYR A 29 -9.635 -22.739 -3.335 1.00 4.58 O ATOM 396 CB TYR A 29 -10.740 -23.041 -0.032 1.00 6.20 C ATOM 397 CG TYR A 29 -11.829 -23.856 -0.692 1.00 6.41 C ATOM 398 CD1 TYR A 29 -12.998 -23.250 -1.123 1.00 6.76 C ATOM 399 CD2 TYR A 29 -11.682 -25.220 -0.899 1.00 6.48 C ATOM 400 CE1 TYR A 29 -13.995 -23.980 -1.738 1.00 7.24 C ATOM 401 CE2 TYR A 29 -12.670 -25.957 -1.516 1.00 6.91 C ATOM 402 CZ TYR A 29 -13.825 -25.332 -1.934 1.00 7.33 C ATOM 403 OH TYR A 29 -14.812 -26.067 -2.550 1.00 7.99 O ATOM 0 H TYR A 29 -10.999 -21.137 -2.489 1.00 5.47 H new ATOM 0 HA TYR A 29 -9.078 -21.755 -0.487 1.00 5.43 H new ATOM 0 HB2 TYR A 29 -10.060 -23.715 0.489 1.00 6.20 H new ATOM 0 HB3 TYR A 29 -11.189 -22.395 0.723 1.00 6.20 H new ATOM 0 HD1 TYR A 29 -13.131 -22.189 -0.975 1.00 6.76 H new ATOM 0 HD2 TYR A 29 -10.778 -25.713 -0.571 1.00 6.48 H new ATOM 0 HE1 TYR A 29 -14.903 -23.494 -2.063 1.00 7.24 H new ATOM 0 HE2 TYR A 29 -12.540 -27.018 -1.671 1.00 6.91 H new ATOM 0 HH TYR A 29 -14.532 -27.004 -2.611 1.00 7.99 H new ATOM 413 N TRP A 30 -8.713 -24.124 -1.800 1.00 4.95 N ATOM 414 CA TRP A 30 -8.035 -24.998 -2.760 1.00 4.73 C ATOM 415 C TRP A 30 -8.503 -26.445 -2.612 1.00 5.18 C ATOM 416 O TRP A 30 -8.857 -26.882 -1.515 1.00 5.61 O ATOM 417 CB TRP A 30 -6.527 -24.935 -2.515 1.00 4.74 C ATOM 418 CG TRP A 30 -5.804 -23.966 -3.401 1.00 4.48 C ATOM 419 CD1 TRP A 30 -5.026 -24.278 -4.476 1.00 4.66 C ATOM 420 CD2 TRP A 30 -5.782 -22.538 -3.291 1.00 4.33 C ATOM 421 NE1 TRP A 30 -4.518 -23.132 -5.038 1.00 4.65 N ATOM 422 CE2 TRP A 30 -4.970 -22.052 -4.332 1.00 4.37 C ATOM 423 CE3 TRP A 30 -6.371 -21.625 -2.419 1.00 4.46 C ATOM 424 CZ2 TRP A 30 -4.729 -20.694 -4.518 1.00 4.41 C ATOM 425 CZ3 TRP A 30 -6.131 -20.279 -2.603 1.00 4.49 C ATOM 426 CH2 TRP A 30 -5.320 -19.822 -3.649 1.00 4.40 C ATOM 0 H TRP A 30 -8.602 -24.418 -0.830 1.00 4.95 H new ATOM 0 HA TRP A 30 -8.275 -24.657 -3.767 1.00 4.73 H new ATOM 0 HB2 TRP A 30 -6.350 -24.662 -1.475 1.00 4.74 H new ATOM 0 HB3 TRP A 30 -6.104 -25.929 -2.660 1.00 4.74 H new ATOM 0 HD1 TRP A 30 -4.837 -25.279 -4.833 1.00 4.66 H new ATOM 0 HE1 TRP A 30 -3.903 -23.093 -5.851 1.00 4.65 H new ATOM 0 HE3 TRP A 30 -7.004 -21.965 -1.613 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 -4.097 -20.343 -5.321 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 -6.577 -19.564 -1.927 1.00 4.49 H new ATOM 0 HH2 TRP A 30 -5.159 -18.761 -3.771 1.00 4.40 H new ATOM 437 N ARG A 31 -8.506 -27.181 -3.721 1.00 5.31 N ATOM 438 CA ARG A 31 -8.939 -28.574 -3.723 1.00 5.89 C ATOM 439 C ARG A 31 -8.271 -29.342 -4.856 1.00 6.18 C ATOM 440 O ARG A 31 -7.935 -28.770 -5.893 1.00 6.15 O ATOM 441 CB ARG A 31 -10.454 -28.662 -3.902 1.00 6.39 C ATOM 442 CG ARG A 31 -10.926 -28.077 -5.223 1.00 6.58 C ATOM 443 CD ARG A 31 -12.413 -28.291 -5.447 1.00 7.25 C ATOM 444 NE ARG A 31 -12.827 -27.822 -6.770 1.00 7.68 N ATOM 445 CZ ARG A 31 -14.045 -27.994 -7.278 1.00 8.49 C ATOM 446 NH1 ARG A 31 -14.988 -28.603 -6.568 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 -14.320 -27.555 -8.498 1.00 9.06 N ATOM 0 H ARG A 31 -8.212 -26.833 -4.633 1.00 5.31 H new ATOM 0 HA ARG A 31 -8.654 -29.012 -2.766 1.00 5.89 H new ATOM 0 HB2 ARG A 31 -10.762 -29.706 -3.841 1.00 6.39 H new ATOM 0 HB3 ARG A 31 -10.943 -28.137 -3.082 1.00 6.39 H new ATOM 0 HG2 ARG A 31 -10.707 -27.009 -5.244 1.00 6.58 H new ATOM 0 HG3 ARG A 31 -10.368 -28.533 -6.041 1.00 6.58 H new ATOM 0 HD2 ARG A 31 -12.649 -29.350 -5.345 1.00 7.25 H new ATOM 0 HD3 ARG A 31 -12.978 -27.763 -4.679 1.00 7.25 H new ATOM 0 HE ARG A 31 -12.137 -27.332 -7.340 1.00 7.68 H new ATOM 0 HH11 ARG A 31 -14.780 -28.941 -5.628 1.00 8.90 H new ATOM 0 HH12 ARG A 31 -15.920 -28.732 -6.962 1.00 8.90 H new ATOM 0 HH21 ARG A 31 -13.599 -27.086 -9.046 1.00 9.06 H new ATOM 0 HH22 ARG A 31 -15.253 -27.686 -8.889 1.00 9.06 H new ATOM 461 N ASP A 32 -8.081 -30.635 -4.656 1.00 6.64 N ATOM 462 CA ASP A 32 -7.597 -31.511 -5.716 1.00 7.19 C ATOM 463 C ASP A 32 -8.755 -31.774 -6.677 1.00 7.82 C ATOM 464 O ASP A 32 -9.845 -32.132 -6.230 1.00 8.07 O ATOM 465 CB ASP A 32 -7.087 -32.832 -5.120 1.00 7.56 C ATOM 466 CG ASP A 32 -6.096 -33.574 -5.997 1.00 7.94 C ATOM 467 OD1 ASP A 32 -6.416 -33.839 -7.164 1.00 8.10 O ATOM 468 OD2 ASP A 32 -5.006 -33.934 -5.503 1.00 8.31 O1- ATOM 0 H ASP A 32 -8.254 -31.105 -3.768 1.00 6.64 H new ATOM 0 HA ASP A 32 -6.769 -31.040 -6.247 1.00 7.19 H new ATOM 0 HB2 ASP A 32 -6.618 -32.625 -4.158 1.00 7.56 H new ATOM 0 HB3 ASP A 32 -7.940 -33.482 -4.926 1.00 7.56 H new ATOM 473 N PRO A 33 -8.570 -31.588 -7.984 1.00 8.28 N ATOM 474 CA PRO A 33 -9.659 -31.741 -8.955 1.00 9.11 C ATOM 475 C PRO A 33 -10.271 -33.142 -8.979 1.00 9.74 C ATOM 476 O PRO A 33 -11.383 -33.330 -9.473 1.00 10.41 O ATOM 477 CB PRO A 33 -9.013 -31.446 -10.307 1.00 9.60 C ATOM 478 CG PRO A 33 -7.708 -30.792 -10.004 1.00 8.98 C ATOM 479 CD PRO A 33 -7.309 -31.198 -8.614 1.00 8.23 C ATOM 0 HA PRO A 33 -10.483 -31.075 -8.698 1.00 9.11 H new ATOM 0 HB2 PRO A 33 -8.867 -32.363 -10.878 1.00 9.60 H new ATOM 0 HB3 PRO A 33 -9.646 -30.794 -10.908 1.00 9.60 H new ATOM 0 HG2 PRO A 33 -6.950 -31.098 -10.725 1.00 8.98 H new ATOM 0 HG3 PRO A 33 -7.797 -29.708 -10.076 1.00 8.98 H new ATOM 0 HD2 PRO A 33 -6.598 -32.024 -8.628 1.00 8.23 H new ATOM 0 HD3 PRO A 33 -6.833 -30.376 -8.079 1.00 8.23 H new ATOM 487 N MET A 34 -9.579 -34.118 -8.426 1.00 9.60 N ATOM 488 CA MET A 34 -10.111 -35.476 -8.406 1.00 10.19 C ATOM 489 C MET A 34 -10.629 -35.862 -7.031 1.00 9.99 C ATOM 490 O MET A 34 -11.073 -36.989 -6.810 1.00 10.53 O ATOM 491 CB MET A 34 -9.077 -36.466 -8.897 1.00 10.40 C ATOM 492 CG MET A 34 -7.824 -36.411 -8.100 1.00 10.85 C ATOM 493 SD MET A 34 -6.354 -36.267 -9.126 1.00 10.55 S ATOM 494 CE MET A 34 -6.661 -34.719 -9.965 1.00 10.30 C ATOM 0 H MET A 34 -8.663 -34.006 -7.991 1.00 9.60 H new ATOM 0 HA MET A 34 -10.961 -35.503 -9.088 1.00 10.19 H new ATOM 0 HB2 MET A 34 -9.491 -37.473 -8.851 1.00 10.40 H new ATOM 0 HB3 MET A 34 -8.849 -36.262 -9.943 1.00 10.40 H new ATOM 0 HG2 MET A 34 -7.870 -35.563 -7.417 1.00 10.85 H new ATOM 0 HG3 MET A 34 -7.748 -37.310 -7.488 1.00 10.85 H new ATOM 0 HE1 MET A 34 -5.711 -34.250 -10.223 1.00 10.30 H new ATOM 0 HE2 MET A 34 -7.233 -34.905 -10.874 1.00 10.30 H new ATOM 0 HE3 MET A 34 -7.226 -34.056 -9.310 1.00 10.30 H new ATOM 504 N VAL A 35 -10.616 -34.908 -6.112 1.00 9.32 N ATOM 505 CA VAL A 35 -11.109 -35.155 -4.752 1.00 9.27 C ATOM 506 C VAL A 35 -12.301 -34.236 -4.380 1.00 9.25 C ATOM 507 O VAL A 35 -12.405 -33.773 -3.242 1.00 8.98 O ATOM 508 CB VAL A 35 -9.959 -34.988 -3.727 1.00 8.70 C ATOM 509 CG1 VAL A 35 -8.728 -35.759 -4.200 1.00 8.84 C ATOM 510 CG2 VAL A 35 -9.645 -33.514 -3.484 1.00 7.95 C ATOM 0 H VAL A 35 -10.274 -33.961 -6.274 1.00 9.32 H new ATOM 0 HA VAL A 35 -11.474 -36.181 -4.722 1.00 9.27 H new ATOM 0 HB VAL A 35 -10.276 -35.404 -2.771 1.00 8.70 H new ATOM 0 HG11 VAL A 35 -7.922 -35.638 -3.476 1.00 8.84 H new ATOM 0 HG12 VAL A 35 -8.975 -36.816 -4.295 1.00 8.84 H new ATOM 0 HG13 VAL A 35 -8.407 -35.373 -5.168 1.00 8.84 H new ATOM 0 HG21 VAL A 35 -8.834 -33.429 -2.760 1.00 7.95 H new ATOM 0 HG22 VAL A 35 -9.345 -33.047 -4.422 1.00 7.95 H new ATOM 0 HG23 VAL A 35 -10.531 -33.012 -3.096 1.00 7.95 H new ATOM 520 N PRO A 36 -13.263 -34.018 -5.307 1.00 9.74 N ATOM 521 CA PRO A 36 -14.343 -33.041 -5.116 1.00 9.85 C ATOM 522 C PRO A 36 -15.157 -33.311 -3.854 1.00 10.22 C ATOM 523 O PRO A 36 -15.533 -34.452 -3.574 1.00 10.95 O ATOM 524 CB PRO A 36 -15.224 -33.225 -6.357 1.00 10.65 C ATOM 525 CG PRO A 36 -14.886 -34.582 -6.854 1.00 11.10 C ATOM 526 CD PRO A 36 -13.425 -34.735 -6.574 1.00 10.41 C ATOM 0 HA PRO A 36 -13.951 -32.031 -4.998 1.00 9.85 H new ATOM 0 HB2 PRO A 36 -16.282 -33.146 -6.108 1.00 10.65 H new ATOM 0 HB3 PRO A 36 -15.015 -32.464 -7.108 1.00 10.65 H new ATOM 0 HG2 PRO A 36 -15.470 -35.348 -6.343 1.00 11.10 H new ATOM 0 HG3 PRO A 36 -15.097 -34.678 -7.919 1.00 11.10 H new ATOM 0 HD2 PRO A 36 -13.137 -35.783 -6.486 1.00 10.41 H new ATOM 0 HD3 PRO A 36 -12.813 -34.302 -7.365 1.00 10.41 H new ATOM 534 N GLY A 37 -15.424 -32.264 -3.097 1.00 9.82 N ATOM 535 CA GLY A 37 -16.094 -32.418 -1.823 1.00 10.31 C ATOM 536 C GLY A 37 -15.127 -32.230 -0.677 1.00 9.86 C ATOM 537 O GLY A 37 -15.529 -32.032 0.469 1.00 10.21 O ATOM 0 H GLY A 37 -15.188 -31.302 -3.342 1.00 9.82 H new ATOM 0 HA2 GLY A 37 -16.903 -31.692 -1.744 1.00 10.31 H new ATOM 0 HA3 GLY A 37 -16.546 -33.408 -1.763 1.00 10.31 H new ATOM 541 N GLN A 38 -13.844 -32.297 -0.994 1.00 9.21 N ATOM 542 CA GLN A 38 -12.801 -32.048 -0.021 1.00 8.88 C ATOM 543 C GLN A 38 -12.382 -30.585 -0.056 1.00 8.38 C ATOM 544 O GLN A 38 -11.862 -30.093 -1.060 1.00 8.00 O ATOM 545 CB GLN A 38 -11.599 -32.950 -0.285 1.00 8.51 C ATOM 546 CG GLN A 38 -10.373 -32.561 0.500 1.00 8.11 C ATOM 547 CD GLN A 38 -10.631 -32.472 1.987 1.00 8.18 C ATOM 548 OE1 GLN A 38 -11.462 -33.192 2.539 1.00 8.47 O ATOM 549 NE2 GLN A 38 -9.934 -31.568 2.636 1.00 8.21 N ATOM 0 H GLN A 38 -13.501 -32.524 -1.927 1.00 9.21 H new ATOM 0 HA GLN A 38 -13.193 -32.274 0.971 1.00 8.88 H new ATOM 0 HB2 GLN A 38 -11.866 -33.978 -0.041 1.00 8.51 H new ATOM 0 HB3 GLN A 38 -11.363 -32.925 -1.349 1.00 8.51 H new ATOM 0 HG2 GLN A 38 -9.584 -33.290 0.316 1.00 8.11 H new ATOM 0 HG3 GLN A 38 -10.008 -31.599 0.141 1.00 8.11 H new ATOM 0 HE21 GLN A 38 -9.255 -30.993 2.137 1.00 8.21 H new ATOM 0 HE22 GLN A 38 -10.071 -31.441 3.639 1.00 8.21 H new ATOM 558 N ARG A 39 -12.610 -29.900 1.045 1.00 8.53 N ATOM 559 CA ARG A 39 -12.322 -28.490 1.148 1.00 8.21 C ATOM 560 C ARG A 39 -11.063 -28.241 1.961 1.00 8.04 C ATOM 561 O ARG A 39 -11.009 -28.567 3.148 1.00 8.70 O ATOM 562 CB ARG A 39 -13.494 -27.795 1.801 1.00 8.96 C ATOM 563 CG ARG A 39 -13.300 -26.309 1.927 1.00 8.86 C ATOM 564 CD ARG A 39 -14.473 -25.677 2.615 1.00 9.10 C ATOM 565 NE ARG A 39 -14.693 -26.251 3.942 1.00 10.02 N ATOM 566 CZ ARG A 39 -15.891 -26.425 4.495 1.00 10.60 C ATOM 567 NH1 ARG A 39 -16.988 -26.037 3.855 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 -15.987 -26.987 5.693 1.00 11.51 N ATOM 0 H ARG A 39 -13.001 -30.309 1.894 1.00 8.53 H new ATOM 0 HA ARG A 39 -12.158 -28.095 0.146 1.00 8.21 H new ATOM 0 HB2 ARG A 39 -14.395 -27.990 1.220 1.00 8.96 H new ATOM 0 HB3 ARG A 39 -13.656 -28.220 2.792 1.00 8.96 H new ATOM 0 HG2 ARG A 39 -12.389 -26.103 2.488 1.00 8.86 H new ATOM 0 HG3 ARG A 39 -13.172 -25.869 0.938 1.00 8.86 H new ATOM 0 HD2 ARG A 39 -14.307 -24.603 2.705 1.00 9.10 H new ATOM 0 HD3 ARG A 39 -15.368 -25.811 2.007 1.00 9.10 H new ATOM 0 HE ARG A 39 -13.874 -26.537 4.479 1.00 10.02 H new ATOM 0 HH11 ARG A 39 -16.915 -25.603 2.935 1.00 10.42 H new ATOM 0 HH12 ARG A 39 -17.904 -26.173 4.284 1.00 10.42 H new ATOM 0 HH21 ARG A 39 -15.145 -27.284 6.186 1.00 11.51 H new ATOM 0 HH22 ARG A 39 -16.903 -27.122 6.121 1.00 11.51 H new ATOM 582 N PHE A 40 -10.053 -27.677 1.321 1.00 7.31 N ATOM 583 CA PHE A 40 -8.872 -27.224 2.031 1.00 7.34 C ATOM 584 C PHE A 40 -8.969 -25.726 2.182 1.00 7.47 C ATOM 585 O PHE A 40 -8.937 -25.026 1.172 1.00 7.06 O ATOM 586 CB PHE A 40 -7.593 -27.602 1.283 1.00 6.76 C ATOM 587 CG PHE A 40 -7.395 -29.079 1.156 1.00 6.92 C ATOM 588 CD1 PHE A 40 -7.907 -29.771 0.071 1.00 6.93 C ATOM 589 CD2 PHE A 40 -6.699 -29.778 2.125 1.00 7.27 C ATOM 590 CE1 PHE A 40 -7.727 -31.133 -0.043 1.00 7.26 C ATOM 591 CE2 PHE A 40 -6.517 -31.139 2.017 1.00 7.50 C ATOM 592 CZ PHE A 40 -7.034 -31.818 0.932 1.00 7.49 C ATOM 0 H PHE A 40 -10.028 -27.523 0.313 1.00 7.31 H new ATOM 0 HA PHE A 40 -8.825 -27.706 3.008 1.00 7.34 H new ATOM 0 HB2 PHE A 40 -7.619 -27.159 0.287 1.00 6.76 H new ATOM 0 HB3 PHE A 40 -6.737 -27.171 1.802 1.00 6.76 H new ATOM 0 HD1 PHE A 40 -8.453 -29.238 -0.694 1.00 6.93 H new ATOM 0 HD2 PHE A 40 -6.294 -29.251 2.976 1.00 7.27 H new ATOM 0 HE1 PHE A 40 -8.128 -31.662 -0.895 1.00 7.26 H new ATOM 0 HE2 PHE A 40 -5.971 -31.674 2.780 1.00 7.50 H new ATOM 0 HZ PHE A 40 -6.896 -32.886 0.847 1.00 7.49 H new ATOM 602 N ASP A 41 -9.098 -25.217 3.394 1.00 8.18 N ATOM 603 CA ASP A 41 -9.427 -23.805 3.549 1.00 8.62 C ATOM 604 C ASP A 41 -8.319 -22.905 3.010 1.00 8.07 C ATOM 605 O ASP A 41 -8.569 -21.753 2.643 1.00 8.18 O ATOM 606 CB ASP A 41 -9.766 -23.442 4.998 1.00 9.62 C ATOM 607 CG ASP A 41 -8.542 -23.326 5.883 1.00 10.23 C ATOM 608 OD1 ASP A 41 -7.963 -24.373 6.233 1.00 10.61 O ATOM 609 OD2 ASP A 41 -8.151 -22.187 6.224 1.00 10.48 O1- ATOM 0 H ASP A 41 -8.985 -25.738 4.263 1.00 8.18 H new ATOM 0 HA ASP A 41 -10.323 -23.631 2.953 1.00 8.62 H new ATOM 0 HB2 ASP A 41 -10.308 -22.497 5.012 1.00 9.62 H new ATOM 0 HB3 ASP A 41 -10.434 -24.199 5.409 1.00 9.62 H new ATOM 614 N LYS A 42 -7.109 -23.431 2.907 1.00 7.60 N ATOM 615 CA LYS A 42 -6.033 -22.678 2.293 1.00 7.23 C ATOM 616 C LYS A 42 -5.375 -23.472 1.166 1.00 6.69 C ATOM 617 O LYS A 42 -5.629 -24.670 1.019 1.00 6.78 O ATOM 618 CB LYS A 42 -4.976 -22.266 3.325 1.00 8.14 C ATOM 619 CG LYS A 42 -5.543 -21.573 4.551 1.00 8.90 C ATOM 620 CD LYS A 42 -4.452 -21.229 5.552 1.00 9.77 C ATOM 621 CE LYS A 42 -5.022 -20.563 6.792 1.00 10.52 C ATOM 622 NZ LYS A 42 -5.996 -21.436 7.496 1.00 10.91 N1+ ATOM 0 H LYS A 42 -6.852 -24.362 3.236 1.00 7.60 H new ATOM 0 HA LYS A 42 -6.476 -21.775 1.873 1.00 7.23 H new ATOM 0 HB2 LYS A 42 -4.429 -23.154 3.643 1.00 8.14 H new ATOM 0 HB3 LYS A 42 -4.256 -21.602 2.846 1.00 8.14 H new ATOM 0 HG2 LYS A 42 -6.061 -20.663 4.249 1.00 8.90 H new ATOM 0 HG3 LYS A 42 -6.283 -22.218 5.025 1.00 8.90 H new ATOM 0 HD2 LYS A 42 -3.920 -22.136 5.838 1.00 9.77 H new ATOM 0 HD3 LYS A 42 -3.724 -20.566 5.084 1.00 9.77 H new ATOM 0 HE2 LYS A 42 -4.209 -20.306 7.471 1.00 10.52 H new ATOM 0 HE3 LYS A 42 -5.510 -19.630 6.510 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 -6.116 -21.104 8.474 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 -6.912 -21.402 7.004 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 -5.643 -22.414 7.503 1.00 10.91 H new ATOM 636 N PRO A 43 -4.563 -22.816 0.340 1.00 6.27 N ATOM 637 CA PRO A 43 -3.705 -23.482 -0.648 1.00 6.04 C ATOM 638 C PRO A 43 -2.762 -24.516 -0.018 1.00 6.80 C ATOM 639 O PRO A 43 -2.681 -24.647 1.210 1.00 7.51 O ATOM 640 CB PRO A 43 -2.908 -22.322 -1.272 1.00 6.00 C ATOM 641 CG PRO A 43 -3.084 -21.182 -0.325 1.00 6.35 C ATOM 642 CD PRO A 43 -4.456 -21.362 0.247 1.00 6.19 C ATOM 0 HA PRO A 43 -4.289 -24.051 -1.371 1.00 6.04 H new ATOM 0 HB2 PRO A 43 -1.856 -22.582 -1.386 1.00 6.00 H new ATOM 0 HB3 PRO A 43 -3.284 -22.073 -2.264 1.00 6.00 H new ATOM 0 HG2 PRO A 43 -2.325 -21.198 0.457 1.00 6.35 H new ATOM 0 HG3 PRO A 43 -2.993 -20.225 -0.838 1.00 6.35 H new ATOM 0 HD2 PRO A 43 -4.557 -20.883 1.221 1.00 6.19 H new ATOM 0 HD3 PRO A 43 -5.225 -20.938 -0.398 1.00 6.19 H new ATOM 650 N GLY A 44 -2.080 -25.281 -0.861 1.00 6.81 N ATOM 651 CA GLY A 44 -1.117 -26.247 -0.369 1.00 7.59 C ATOM 652 C GLY A 44 -0.997 -27.454 -1.273 1.00 7.56 C ATOM 653 O GLY A 44 -1.539 -27.466 -2.381 1.00 7.08 O ATOM 0 H GLY A 44 -2.176 -25.250 -1.876 1.00 6.81 H new ATOM 0 HA2 GLY A 44 -0.142 -25.769 -0.275 1.00 7.59 H new ATOM 0 HA3 GLY A 44 -1.410 -26.572 0.629 1.00 7.59 H new ATOM 657 N LYS A 45 -0.284 -28.468 -0.806 1.00 8.20 N ATOM 658 CA LYS A 45 -0.134 -29.705 -1.543 1.00 8.37 C ATOM 659 C LYS A 45 -1.163 -30.710 -1.059 1.00 8.15 C ATOM 660 O LYS A 45 -1.537 -30.718 0.116 1.00 8.27 O ATOM 661 CB LYS A 45 1.261 -30.259 -1.346 1.00 9.30 C ATOM 662 CG LYS A 45 1.599 -31.384 -2.306 1.00 9.65 C ATOM 663 CD LYS A 45 2.732 -32.200 -1.772 1.00 10.42 C ATOM 664 CE LYS A 45 3.956 -31.351 -1.467 1.00 11.07 C ATOM 665 NZ LYS A 45 5.113 -32.176 -1.035 1.00 11.68 N1+ ATOM 0 H LYS A 45 0.203 -28.453 0.090 1.00 8.20 H new ATOM 0 HA LYS A 45 -0.289 -29.513 -2.605 1.00 8.37 H new ATOM 0 HB2 LYS A 45 1.985 -29.454 -1.470 1.00 9.30 H new ATOM 0 HB3 LYS A 45 1.360 -30.621 -0.323 1.00 9.30 H new ATOM 0 HG2 LYS A 45 0.725 -32.018 -2.456 1.00 9.65 H new ATOM 0 HG3 LYS A 45 1.866 -30.973 -3.280 1.00 9.65 H new ATOM 0 HD2 LYS A 45 2.412 -32.713 -0.865 1.00 10.42 H new ATOM 0 HD3 LYS A 45 2.997 -32.970 -2.497 1.00 10.42 H new ATOM 0 HE2 LYS A 45 4.230 -30.779 -2.353 1.00 11.07 H new ATOM 0 HE3 LYS A 45 3.712 -30.631 -0.686 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 5.926 -31.558 -0.837 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 4.862 -32.703 -0.174 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 5.363 -32.846 -1.790 1.00 11.68 H new ATOM 679 N SER A 46 -1.625 -31.543 -1.975 1.00 8.03 N ATOM 680 CA SER A 46 -2.619 -32.548 -1.665 1.00 7.98 C ATOM 681 C SER A 46 -2.057 -33.565 -0.677 1.00 8.64 C ATOM 682 O SER A 46 -0.960 -34.083 -0.872 1.00 9.20 O ATOM 683 CB SER A 46 -3.075 -33.239 -2.954 1.00 8.03 C ATOM 684 OG SER A 46 -4.148 -34.136 -2.726 1.00 8.36 O ATOM 0 H SER A 46 -1.322 -31.540 -2.949 1.00 8.03 H new ATOM 0 HA SER A 46 -3.480 -32.067 -1.201 1.00 7.98 H new ATOM 0 HB2 SER A 46 -3.381 -32.486 -3.680 1.00 8.03 H new ATOM 0 HB3 SER A 46 -2.236 -33.781 -3.391 1.00 8.03 H new ATOM 0 HG SER A 46 -4.641 -34.275 -3.561 1.00 8.36 H new ATOM 690 N PRO A 47 -2.781 -33.846 0.412 1.00 8.70 N ATOM 691 CA PRO A 47 -2.375 -34.862 1.384 1.00 9.38 C ATOM 692 C PRO A 47 -2.469 -36.256 0.787 1.00 9.63 C ATOM 693 O PRO A 47 -1.766 -37.184 1.186 1.00 10.25 O ATOM 694 CB PRO A 47 -3.390 -34.697 2.515 1.00 9.45 C ATOM 695 CG PRO A 47 -4.583 -34.095 1.863 1.00 8.81 C ATOM 696 CD PRO A 47 -4.044 -33.195 0.787 1.00 8.26 C ATOM 0 HA PRO A 47 -1.342 -34.743 1.711 1.00 9.38 H new ATOM 0 HB2 PRO A 47 -3.631 -35.656 2.975 1.00 9.45 H new ATOM 0 HB3 PRO A 47 -3.003 -34.053 3.305 1.00 9.45 H new ATOM 0 HG2 PRO A 47 -5.230 -34.865 1.443 1.00 8.81 H new ATOM 0 HG3 PRO A 47 -5.181 -33.533 2.581 1.00 8.81 H new ATOM 0 HD2 PRO A 47 -4.728 -33.123 -0.059 1.00 8.26 H new ATOM 0 HD3 PRO A 47 -3.882 -32.181 1.153 1.00 8.26 H new ATOM 704 N TYR A 48 -3.361 -36.365 -0.192 1.00 9.26 N ATOM 705 CA TYR A 48 -3.674 -37.626 -0.831 1.00 9.61 C ATOM 706 C TYR A 48 -2.545 -38.046 -1.754 1.00 9.96 C ATOM 707 O TYR A 48 -2.207 -39.222 -1.833 1.00 10.49 O ATOM 708 CB TYR A 48 -4.968 -37.502 -1.623 1.00 9.34 C ATOM 709 CG TYR A 48 -6.159 -37.047 -0.815 1.00 9.17 C ATOM 710 CD1 TYR A 48 -6.632 -37.822 0.235 1.00 9.63 C ATOM 711 CD2 TYR A 48 -6.802 -35.846 -1.087 1.00 8.69 C ATOM 712 CE1 TYR A 48 -7.711 -37.420 0.988 1.00 9.70 C ATOM 713 CE2 TYR A 48 -7.885 -35.434 -0.334 1.00 8.75 C ATOM 714 CZ TYR A 48 -8.363 -36.191 0.640 1.00 9.30 C ATOM 715 OH TYR A 48 -9.409 -35.824 1.457 1.00 9.57 O ATOM 0 H TYR A 48 -3.887 -35.573 -0.562 1.00 9.26 H new ATOM 0 HA TYR A 48 -3.798 -38.385 -0.059 1.00 9.61 H new ATOM 0 HB2 TYR A 48 -4.811 -36.800 -2.442 1.00 9.34 H new ATOM 0 HB3 TYR A 48 -5.198 -38.468 -2.072 1.00 9.34 H new ATOM 0 HD1 TYR A 48 -6.144 -38.758 0.465 1.00 9.63 H new ATOM 0 HD2 TYR A 48 -6.451 -35.226 -1.898 1.00 8.69 H new ATOM 0 HE1 TYR A 48 -8.058 -38.015 1.820 1.00 9.70 H new ATOM 0 HE2 TYR A 48 -8.348 -34.481 -0.544 1.00 8.75 H new ATOM 0 HH TYR A 48 -9.251 -36.163 2.363 1.00 9.57 H new ATOM 725 N MET A 49 -1.988 -37.080 -2.476 1.00 9.74 N ATOM 726 CA MET A 49 -0.829 -37.333 -3.315 1.00 10.23 C ATOM 727 C MET A 49 -0.021 -36.053 -3.524 1.00 10.20 C ATOM 728 O MET A 49 -0.542 -34.953 -3.357 1.00 9.87 O ATOM 729 CB MET A 49 -1.246 -37.917 -4.649 1.00 10.28 C ATOM 730 CG MET A 49 -1.882 -36.900 -5.542 1.00 10.38 C ATOM 731 SD MET A 49 -3.431 -37.469 -6.228 1.00 10.09 S ATOM 732 CE MET A 49 -4.460 -37.362 -4.781 1.00 9.55 C ATOM 0 H MET A 49 -2.322 -36.116 -2.495 1.00 9.74 H new ATOM 0 HA MET A 49 -0.197 -38.060 -2.804 1.00 10.23 H new ATOM 0 HB2 MET A 49 -0.373 -38.339 -5.147 1.00 10.28 H new ATOM 0 HB3 MET A 49 -1.944 -38.737 -4.481 1.00 10.28 H new ATOM 0 HG2 MET A 49 -2.052 -35.982 -4.979 1.00 10.38 H new ATOM 0 HG3 MET A 49 -1.197 -36.654 -6.353 1.00 10.38 H new ATOM 0 HE1 MET A 49 -5.506 -37.457 -5.071 1.00 9.55 H new ATOM 0 HE2 MET A 49 -4.201 -38.164 -4.090 1.00 9.55 H new ATOM 0 HE3 MET A 49 -4.304 -36.399 -4.294 1.00 9.55 H new ATOM 742 N ASP A 50 1.236 -36.196 -3.925 1.00 10.69 N ATOM 743 CA ASP A 50 2.155 -35.062 -4.019 1.00 10.83 C ATOM 744 C ASP A 50 1.932 -34.220 -5.279 1.00 10.64 C ATOM 745 O ASP A 50 2.718 -34.246 -6.226 1.00 11.23 O ATOM 746 CB ASP A 50 3.608 -35.548 -3.936 1.00 11.76 C ATOM 747 CG ASP A 50 3.980 -36.551 -5.017 1.00 12.21 C ATOM 748 OD1 ASP A 50 3.429 -37.671 -5.007 1.00 12.33 O1- ATOM 749 OD2 ASP A 50 4.802 -36.213 -5.900 1.00 12.54 O ATOM 0 H ASP A 50 1.647 -37.090 -4.192 1.00 10.69 H new ATOM 0 HA ASP A 50 1.947 -34.409 -3.171 1.00 10.83 H new ATOM 0 HB2 ASP A 50 4.274 -34.688 -4.006 1.00 11.76 H new ATOM 0 HB3 ASP A 50 3.775 -36.002 -2.959 1.00 11.76 H new ATOM 754 N MET A 51 0.839 -33.482 -5.278 1.00 9.87 N ATOM 755 CA MET A 51 0.588 -32.451 -6.280 1.00 9.64 C ATOM 756 C MET A 51 -0.043 -31.258 -5.595 1.00 8.84 C ATOM 757 O MET A 51 -0.805 -31.421 -4.639 1.00 8.36 O ATOM 758 CB MET A 51 -0.319 -32.936 -7.422 1.00 9.70 C ATOM 759 CG MET A 51 -1.644 -33.522 -6.982 1.00 9.43 C ATOM 760 SD MET A 51 -2.762 -33.841 -8.365 1.00 9.38 S ATOM 761 CE MET A 51 -3.772 -32.363 -8.342 1.00 9.04 C ATOM 0 H MET A 51 0.097 -33.576 -4.585 1.00 9.87 H new ATOM 0 HA MET A 51 1.543 -32.184 -6.733 1.00 9.64 H new ATOM 0 HB2 MET A 51 -0.514 -32.098 -8.092 1.00 9.70 H new ATOM 0 HB3 MET A 51 0.220 -33.687 -7.999 1.00 9.70 H new ATOM 0 HG2 MET A 51 -1.464 -34.453 -6.444 1.00 9.43 H new ATOM 0 HG3 MET A 51 -2.124 -32.838 -6.283 1.00 9.43 H new ATOM 0 HE1 MET A 51 -4.598 -32.476 -9.045 1.00 9.04 H new ATOM 0 HE2 MET A 51 -4.168 -32.209 -7.338 1.00 9.04 H new ATOM 0 HE3 MET A 51 -3.166 -31.504 -8.629 1.00 9.04 H new ATOM 771 N PRO A 52 0.282 -30.045 -6.050 1.00 8.77 N ATOM 772 CA PRO A 52 -0.285 -28.831 -5.486 1.00 8.04 C ATOM 773 C PRO A 52 -1.766 -28.757 -5.796 1.00 7.35 C ATOM 774 O PRO A 52 -2.171 -29.000 -6.938 1.00 7.56 O ATOM 775 CB PRO A 52 0.477 -27.696 -6.181 1.00 8.35 C ATOM 776 CG PRO A 52 1.636 -28.350 -6.860 1.00 9.16 C ATOM 777 CD PRO A 52 1.197 -29.754 -7.161 1.00 9.51 C ATOM 0 HA PRO A 52 -0.191 -28.783 -4.401 1.00 8.04 H new ATOM 0 HB2 PRO A 52 -0.159 -27.179 -6.900 1.00 8.35 H new ATOM 0 HB3 PRO A 52 0.814 -26.951 -5.460 1.00 8.35 H new ATOM 0 HG2 PRO A 52 1.903 -27.820 -7.774 1.00 9.16 H new ATOM 0 HG3 PRO A 52 2.518 -28.345 -6.219 1.00 9.16 H new ATOM 0 HD2 PRO A 52 0.698 -29.825 -8.127 1.00 9.51 H new ATOM 0 HD3 PRO A 52 2.039 -30.446 -7.186 1.00 9.51 H new ATOM 785 N LEU A 53 -2.569 -28.442 -4.792 1.00 6.71 N ATOM 786 CA LEU A 53 -4.009 -28.413 -4.965 1.00 6.20 C ATOM 787 C LEU A 53 -4.396 -27.379 -6.010 1.00 5.97 C ATOM 788 O LEU A 53 -3.630 -26.453 -6.301 1.00 6.05 O ATOM 789 CB LEU A 53 -4.721 -28.147 -3.635 1.00 5.79 C ATOM 790 CG LEU A 53 -4.436 -29.181 -2.546 1.00 6.23 C ATOM 791 CD1 LEU A 53 -4.763 -28.621 -1.175 1.00 6.10 C ATOM 792 CD2 LEU A 53 -5.238 -30.448 -2.802 1.00 6.57 C ATOM 0 H LEU A 53 -2.248 -28.204 -3.853 1.00 6.71 H new ATOM 0 HA LEU A 53 -4.330 -29.393 -5.318 1.00 6.20 H new ATOM 0 HB2 LEU A 53 -4.427 -27.163 -3.270 1.00 5.79 H new ATOM 0 HB3 LEU A 53 -5.796 -28.112 -3.813 1.00 5.79 H new ATOM 0 HG LEU A 53 -3.374 -29.424 -2.573 1.00 6.23 H new ATOM 0 HD11 LEU A 53 -4.553 -29.374 -0.415 1.00 6.10 H new ATOM 0 HD12 LEU A 53 -4.154 -27.737 -0.988 1.00 6.10 H new ATOM 0 HD13 LEU A 53 -5.818 -28.350 -1.135 1.00 6.10 H new ATOM 0 HD21 LEU A 53 -5.026 -31.177 -2.020 1.00 6.57 H new ATOM 0 HD22 LEU A 53 -6.302 -30.212 -2.800 1.00 6.57 H new ATOM 0 HD23 LEU A 53 -4.961 -30.865 -3.770 1.00 6.57 H new ATOM 804 N ILE A 54 -5.576 -27.522 -6.564 1.00 5.92 N ATOM 805 CA ILE A 54 -6.008 -26.659 -7.635 1.00 5.98 C ATOM 806 C ILE A 54 -6.983 -25.638 -7.105 1.00 5.33 C ATOM 807 O ILE A 54 -7.923 -25.968 -6.379 1.00 5.16 O ATOM 808 CB ILE A 54 -6.651 -27.465 -8.773 1.00 6.77 C ATOM 809 CG1 ILE A 54 -5.613 -28.405 -9.393 1.00 7.56 C ATOM 810 CG2 ILE A 54 -7.250 -26.551 -9.836 1.00 7.04 C ATOM 811 CD1 ILE A 54 -4.394 -27.696 -9.933 1.00 7.89 C ATOM 0 H ILE A 54 -6.256 -28.231 -6.289 1.00 5.92 H new ATOM 0 HA ILE A 54 -5.133 -26.149 -8.039 1.00 5.98 H new ATOM 0 HB ILE A 54 -7.466 -28.056 -8.355 1.00 6.77 H new ATOM 0 HG12 ILE A 54 -5.298 -29.129 -8.642 1.00 7.56 H new ATOM 0 HG13 ILE A 54 -6.082 -28.967 -10.200 1.00 7.56 H new ATOM 0 HG21 ILE A 54 -7.696 -27.155 -10.626 1.00 7.04 H new ATOM 0 HG22 ILE A 54 -8.016 -25.921 -9.384 1.00 7.04 H new ATOM 0 HG23 ILE A 54 -6.466 -25.922 -10.259 1.00 7.04 H new ATOM 0 HD11 ILE A 54 -3.705 -28.427 -10.356 1.00 7.89 H new ATOM 0 HD12 ILE A 54 -4.696 -26.992 -10.708 1.00 7.89 H new ATOM 0 HD13 ILE A 54 -3.900 -27.156 -9.125 1.00 7.89 H new ATOM 823 N PRO A 55 -6.754 -24.378 -7.430 1.00 5.13 N ATOM 824 CA PRO A 55 -7.589 -23.306 -6.945 1.00 4.65 C ATOM 825 C PRO A 55 -8.928 -23.243 -7.664 1.00 5.10 C ATOM 826 O PRO A 55 -9.038 -23.536 -8.852 1.00 5.77 O ATOM 827 CB PRO A 55 -6.737 -22.072 -7.210 1.00 4.51 C ATOM 828 CG PRO A 55 -5.923 -22.424 -8.403 1.00 5.22 C ATOM 829 CD PRO A 55 -5.655 -23.896 -8.291 1.00 5.58 C ATOM 0 HA PRO A 55 -7.864 -23.422 -5.897 1.00 4.65 H new ATOM 0 HB2 PRO A 55 -7.357 -21.196 -7.398 1.00 4.51 H new ATOM 0 HB3 PRO A 55 -6.104 -21.837 -6.354 1.00 4.51 H new ATOM 0 HG2 PRO A 55 -6.458 -22.192 -9.324 1.00 5.22 H new ATOM 0 HG3 PRO A 55 -4.992 -21.857 -8.423 1.00 5.22 H new ATOM 0 HD2 PRO A 55 -5.666 -24.382 -9.267 1.00 5.58 H new ATOM 0 HD3 PRO A 55 -4.680 -24.094 -7.847 1.00 5.58 H new ATOM 837 N VAL A 56 -9.942 -22.888 -6.898 1.00 5.00 N ATOM 838 CA VAL A 56 -11.313 -22.779 -7.377 1.00 5.69 C ATOM 839 C VAL A 56 -11.483 -21.683 -8.427 1.00 5.96 C ATOM 840 O VAL A 56 -10.692 -20.750 -8.500 1.00 5.52 O ATOM 841 CB VAL A 56 -12.270 -22.505 -6.212 1.00 5.77 C ATOM 842 CG1 VAL A 56 -12.230 -23.636 -5.198 1.00 5.82 C ATOM 843 CG2 VAL A 56 -11.908 -21.187 -5.574 1.00 5.28 C ATOM 0 H VAL A 56 -9.838 -22.663 -5.909 1.00 5.00 H new ATOM 0 HA VAL A 56 -11.552 -23.734 -7.844 1.00 5.69 H new ATOM 0 HB VAL A 56 -13.291 -22.448 -6.590 1.00 5.77 H new ATOM 0 HG11 VAL A 56 -12.918 -23.417 -4.381 1.00 5.82 H new ATOM 0 HG12 VAL A 56 -12.525 -24.568 -5.681 1.00 5.82 H new ATOM 0 HG13 VAL A 56 -11.219 -23.735 -4.804 1.00 5.82 H new ATOM 0 HG21 VAL A 56 -12.586 -20.986 -4.744 1.00 5.28 H new ATOM 0 HG22 VAL A 56 -10.884 -21.231 -5.204 1.00 5.28 H new ATOM 0 HG23 VAL A 56 -11.993 -20.390 -6.313 1.00 5.28 H new ATOM 853 N TYR A 57 -12.578 -21.827 -9.162 1.00 6.83 N ATOM 854 CA TYR A 57 -13.002 -21.020 -10.323 1.00 7.44 C ATOM 855 C TYR A 57 -11.976 -20.032 -10.874 1.00 7.10 C ATOM 856 O TYR A 57 -11.459 -20.215 -11.974 1.00 7.48 O ATOM 857 CB TYR A 57 -14.287 -20.282 -9.960 1.00 7.84 C ATOM 858 CG TYR A 57 -14.504 -20.143 -8.468 1.00 7.40 C ATOM 859 CD1 TYR A 57 -14.000 -19.053 -7.769 1.00 6.79 C ATOM 860 CD2 TYR A 57 -15.206 -21.103 -7.759 1.00 7.77 C ATOM 861 CE1 TYR A 57 -14.190 -18.930 -6.407 1.00 6.66 C ATOM 862 CE2 TYR A 57 -15.404 -20.988 -6.406 1.00 7.62 C ATOM 863 CZ TYR A 57 -14.909 -19.880 -5.733 1.00 7.11 C ATOM 864 OH TYR A 57 -15.090 -19.787 -4.375 1.00 7.23 O ATOM 0 H TYR A 57 -13.251 -22.565 -8.955 1.00 6.83 H new ATOM 0 HA TYR A 57 -13.145 -21.734 -11.134 1.00 7.44 H new ATOM 0 HB2 TYR A 57 -14.266 -19.289 -10.410 1.00 7.84 H new ATOM 0 HB3 TYR A 57 -15.135 -20.811 -10.395 1.00 7.84 H new ATOM 0 HD1 TYR A 57 -13.451 -18.290 -8.300 1.00 6.79 H new ATOM 0 HD2 TYR A 57 -15.606 -21.960 -8.281 1.00 7.77 H new ATOM 0 HE1 TYR A 57 -13.773 -18.087 -5.875 1.00 6.66 H new ATOM 0 HE2 TYR A 57 -15.942 -21.755 -5.868 1.00 7.62 H new ATOM 0 HH TYR A 57 -14.858 -20.642 -3.955 1.00 7.23 H new ATOM 874 N GLU A 58 -11.724 -18.977 -10.128 1.00 6.59 N ATOM 875 CA GLU A 58 -10.878 -17.888 -10.574 1.00 6.41 C ATOM 876 C GLU A 58 -9.466 -18.406 -10.856 1.00 6.15 C ATOM 877 O GLU A 58 -8.868 -18.124 -11.893 1.00 6.62 O ATOM 878 CB GLU A 58 -10.918 -16.805 -9.496 1.00 5.89 C ATOM 879 CG GLU A 58 -9.694 -16.689 -8.627 1.00 5.18 C ATOM 880 CD GLU A 58 -8.734 -15.657 -9.149 1.00 5.25 C ATOM 881 OE1 GLU A 58 -8.974 -14.462 -8.899 1.00 5.25 O ATOM 882 OE2 GLU A 58 -7.760 -16.034 -9.814 1.00 5.61 O1- ATOM 0 H GLU A 58 -12.102 -18.849 -9.189 1.00 6.59 H new ATOM 0 HA GLU A 58 -11.232 -17.457 -11.511 1.00 6.41 H new ATOM 0 HB2 GLU A 58 -11.086 -15.844 -9.982 1.00 5.89 H new ATOM 0 HB3 GLU A 58 -11.778 -16.992 -8.853 1.00 5.89 H new ATOM 0 HG2 GLU A 58 -9.993 -16.427 -7.612 1.00 5.18 H new ATOM 0 HG3 GLU A 58 -9.194 -17.656 -8.573 1.00 5.18 H new ATOM 889 N GLU A 59 -9.002 -19.210 -9.916 1.00 5.59 N ATOM 890 CA GLU A 59 -7.802 -20.039 -10.042 1.00 5.52 C ATOM 891 C GLU A 59 -6.499 -19.272 -10.019 1.00 5.43 C ATOM 892 O GLU A 59 -5.578 -19.588 -10.773 1.00 6.06 O ATOM 893 CB GLU A 59 -7.848 -20.917 -11.300 1.00 6.40 C ATOM 894 CG GLU A 59 -9.015 -21.882 -11.361 1.00 6.94 C ATOM 895 CD GLU A 59 -9.044 -22.665 -12.659 1.00 7.89 C ATOM 896 OE1 GLU A 59 -9.464 -22.104 -13.690 1.00 8.58 O1- ATOM 897 OE2 GLU A 59 -8.637 -23.847 -12.657 1.00 8.12 O ATOM 0 H GLU A 59 -9.461 -19.312 -9.011 1.00 5.59 H new ATOM 0 HA GLU A 59 -7.817 -20.663 -9.148 1.00 5.52 H new ATOM 0 HB2 GLU A 59 -7.884 -20.270 -12.176 1.00 6.40 H new ATOM 0 HB3 GLU A 59 -6.921 -21.486 -11.362 1.00 6.40 H new ATOM 0 HG2 GLU A 59 -8.955 -22.575 -10.522 1.00 6.94 H new ATOM 0 HG3 GLU A 59 -9.948 -21.329 -11.252 1.00 6.94 H new ATOM 1187 N ARG A 80 3.230 4.216 -5.628 1.00 8.26 N ATOM 1188 CA ARG A 80 4.035 3.044 -5.327 1.00 8.04 C ATOM 1189 C ARG A 80 4.965 3.362 -4.166 1.00 7.16 C ATOM 1190 O ARG A 80 5.518 4.453 -4.098 1.00 6.61 O ATOM 1191 CB ARG A 80 4.854 2.647 -6.555 1.00 8.39 C ATOM 1192 CG ARG A 80 5.554 1.305 -6.413 1.00 8.96 C ATOM 1193 CD ARG A 80 6.528 1.055 -7.554 1.00 9.63 C ATOM 1194 NE ARG A 80 7.292 -0.175 -7.350 1.00 10.25 N ATOM 1195 CZ ARG A 80 8.613 -0.283 -7.516 1.00 10.94 C ATOM 1196 NH1 ARG A 80 9.343 0.764 -7.887 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 9.206 -1.450 -7.298 1.00 11.64 N ATOM 0 HA ARG A 80 3.383 2.214 -5.055 1.00 8.04 H new ATOM 0 HB2 ARG A 80 4.197 2.614 -7.424 1.00 8.39 H new ATOM 0 HB3 ARG A 80 5.600 3.418 -6.748 1.00 8.39 H new ATOM 0 HG2 ARG A 80 6.089 1.272 -5.464 1.00 8.96 H new ATOM 0 HG3 ARG A 80 4.811 0.508 -6.388 1.00 8.96 H new ATOM 0 HD2 ARG A 80 5.980 0.992 -8.494 1.00 9.63 H new ATOM 0 HD3 ARG A 80 7.212 1.899 -7.640 1.00 9.63 H new ATOM 0 HE ARG A 80 6.780 -1.009 -7.061 1.00 10.25 H new ATOM 0 HH11 ARG A 80 8.895 1.666 -8.049 1.00 11.11 H new ATOM 0 HH12 ARG A 80 10.351 0.665 -8.010 1.00 11.11 H new ATOM 0 HH21 ARG A 80 8.653 -2.256 -7.006 1.00 11.64 H new ATOM 0 HH22 ARG A 80 10.214 -1.541 -7.423 1.00 11.64 H new ATOM 1211 N THR A 81 5.118 2.422 -3.248 1.00 7.24 N ATOM 1212 CA THR A 81 5.951 2.616 -2.076 1.00 6.59 C ATOM 1213 C THR A 81 6.728 1.352 -1.752 1.00 6.82 C ATOM 1214 O THR A 81 6.235 0.237 -1.936 1.00 7.73 O ATOM 1215 CB THR A 81 5.125 3.016 -0.831 1.00 6.98 C ATOM 1216 OG1 THR A 81 4.094 2.054 -0.580 1.00 8.00 O ATOM 1217 CG2 THR A 81 4.503 4.386 -0.998 1.00 7.05 C ATOM 0 H THR A 81 4.670 1.507 -3.295 1.00 7.24 H new ATOM 0 HA THR A 81 6.636 3.429 -2.318 1.00 6.59 H new ATOM 0 HB THR A 81 5.809 3.045 0.017 1.00 6.98 H new ATOM 0 HG1 THR A 81 3.985 1.936 0.387 1.00 8.00 H new ATOM 0 HG21 THR A 81 3.930 4.636 -0.106 1.00 7.05 H new ATOM 0 HG22 THR A 81 5.289 5.127 -1.144 1.00 7.05 H new ATOM 0 HG23 THR A 81 3.842 4.382 -1.865 1.00 7.05 H new ATOM 1225 N ALA A 82 7.945 1.539 -1.284 1.00 6.18 N ATOM 1226 CA ALA A 82 8.767 0.439 -0.826 1.00 6.65 C ATOM 1227 C ALA A 82 9.007 0.593 0.662 1.00 6.65 C ATOM 1228 O ALA A 82 9.191 1.705 1.154 1.00 5.88 O ATOM 1229 CB ALA A 82 10.087 0.400 -1.582 1.00 6.36 C ATOM 0 H ALA A 82 8.390 2.454 -1.211 1.00 6.18 H new ATOM 0 HA ALA A 82 8.251 -0.502 -1.016 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.688 -0.434 -1.221 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.893 0.274 -2.647 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.627 1.333 -1.420 1.00 6.36 H new ATOM 1235 N GLU A 83 8.983 -0.508 1.378 1.00 7.70 N ATOM 1236 CA GLU A 83 9.169 -0.479 2.810 1.00 8.10 C ATOM 1237 C GLU A 83 10.648 -0.554 3.132 1.00 7.90 C ATOM 1238 O GLU A 83 11.363 -1.396 2.584 1.00 8.21 O ATOM 1239 CB GLU A 83 8.413 -1.631 3.471 1.00 9.47 C ATOM 1240 CG GLU A 83 8.410 -1.572 4.985 1.00 10.14 C ATOM 1241 CD GLU A 83 7.714 -2.763 5.609 1.00 11.52 C ATOM 1242 OE1 GLU A 83 6.468 -2.759 5.664 1.00 12.15 O ATOM 1243 OE2 GLU A 83 8.411 -3.706 6.044 1.00 12.06 O1- ATOM 0 H GLU A 83 8.836 -1.439 0.989 1.00 7.70 H new ATOM 0 HA GLU A 83 8.769 0.456 3.203 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.383 -1.629 3.115 1.00 9.47 H new ATOM 0 HB3 GLU A 83 8.858 -2.574 3.154 1.00 9.47 H new ATOM 0 HG2 GLU A 83 9.437 -1.525 5.346 1.00 10.14 H new ATOM 0 HG3 GLU A 83 7.916 -0.656 5.309 1.00 10.14 H new ATOM 1250 N VAL A 84 11.105 0.347 3.984 1.00 7.58 N ATOM 1251 CA VAL A 84 12.493 0.363 4.404 1.00 7.50 C ATOM 1252 C VAL A 84 12.917 -0.971 4.968 1.00 8.74 C ATOM 1253 O VAL A 84 12.246 -1.549 5.824 1.00 9.71 O ATOM 1254 CB VAL A 84 12.763 1.455 5.450 1.00 7.28 C ATOM 1255 CG1 VAL A 84 14.163 1.311 6.033 1.00 7.49 C ATOM 1256 CG2 VAL A 84 12.582 2.820 4.820 1.00 6.28 C ATOM 0 H VAL A 84 10.531 1.080 4.400 1.00 7.58 H new ATOM 0 HA VAL A 84 13.078 0.578 3.510 1.00 7.50 H new ATOM 0 HB VAL A 84 12.050 1.345 6.267 1.00 7.28 H new ATOM 0 HG11 VAL A 84 14.332 2.095 6.771 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.260 0.336 6.510 1.00 7.49 H new ATOM 0 HG13 VAL A 84 14.900 1.399 5.235 1.00 7.49 H new ATOM 0 HG21 VAL A 84 12.774 3.593 5.564 1.00 6.28 H new ATOM 0 HG22 VAL A 84 13.280 2.933 3.991 1.00 6.28 H new ATOM 0 HG23 VAL A 84 11.561 2.918 4.451 1.00 6.28 H new ATOM 1266 N LYS A 85 14.020 -1.457 4.446 1.00 8.82 N ATOM 1267 CA LYS A 85 14.670 -2.628 4.974 1.00 10.03 C ATOM 1268 C LYS A 85 16.090 -2.705 4.463 1.00 10.02 C ATOM 1269 O LYS A 85 16.381 -2.352 3.321 1.00 9.25 O ATOM 1270 CB LYS A 85 13.883 -3.917 4.703 1.00 10.75 C ATOM 1271 CG LYS A 85 13.163 -3.965 3.374 1.00 10.58 C ATOM 1272 CD LYS A 85 14.118 -4.110 2.214 1.00 11.03 C ATOM 1273 CE LYS A 85 14.077 -2.882 1.338 1.00 10.50 C ATOM 1274 NZ LYS A 85 14.873 -3.061 0.095 1.00 11.02 N1+ ATOM 0 H LYS A 85 14.491 -1.047 3.640 1.00 8.82 H new ATOM 0 HA LYS A 85 14.700 -2.532 6.059 1.00 10.03 H new ATOM 0 HB2 LYS A 85 14.570 -4.761 4.756 1.00 10.75 H new ATOM 0 HB3 LYS A 85 13.151 -4.051 5.500 1.00 10.75 H new ATOM 0 HG2 LYS A 85 12.462 -4.800 3.372 1.00 10.58 H new ATOM 0 HG3 LYS A 85 12.576 -3.055 3.248 1.00 10.58 H new ATOM 0 HD2 LYS A 85 15.131 -4.264 2.586 1.00 11.03 H new ATOM 0 HD3 LYS A 85 13.856 -4.991 1.628 1.00 11.03 H new ATOM 0 HE2 LYS A 85 13.043 -2.656 1.078 1.00 10.50 H new ATOM 0 HE3 LYS A 85 14.460 -2.026 1.894 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 15.385 -2.181 -0.119 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 15.555 -3.835 0.228 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 14.237 -3.292 -0.694 1.00 11.02 H new ATOM 1288 N LEU A 86 16.978 -3.106 5.342 1.00 10.96 N ATOM 1289 CA LEU A 86 18.380 -3.190 5.020 1.00 11.21 C ATOM 1290 C LEU A 86 18.662 -4.432 4.198 1.00 11.85 C ATOM 1291 O LEU A 86 17.898 -5.396 4.231 1.00 12.43 O ATOM 1292 CB LEU A 86 19.238 -3.158 6.279 1.00 12.08 C ATOM 1293 CG LEU A 86 18.799 -4.106 7.369 1.00 11.90 C ATOM 1294 CD1 LEU A 86 19.977 -4.484 8.250 1.00 11.97 C ATOM 1295 CD2 LEU A 86 17.708 -3.452 8.202 1.00 12.76 C ATOM 0 H LEU A 86 16.749 -3.382 6.297 1.00 10.96 H new ATOM 0 HA LEU A 86 18.644 -2.318 4.422 1.00 11.21 H new ATOM 0 HB2 LEU A 86 20.267 -3.392 6.006 1.00 12.08 H new ATOM 0 HB3 LEU A 86 19.236 -2.143 6.677 1.00 12.08 H new ATOM 0 HG LEU A 86 18.407 -5.015 6.913 1.00 11.90 H new ATOM 0 HD11 LEU A 86 19.643 -5.168 9.030 1.00 11.97 H new ATOM 0 HD12 LEU A 86 20.743 -4.970 7.645 1.00 11.97 H new ATOM 0 HD13 LEU A 86 20.392 -3.586 8.708 1.00 11.97 H new ATOM 0 HD21 LEU A 86 17.391 -4.137 8.989 1.00 12.76 H new ATOM 0 HD22 LEU A 86 18.093 -2.536 8.651 1.00 12.76 H new ATOM 0 HD23 LEU A 86 16.857 -3.214 7.564 1.00 12.76 H new ATOM 1307 N GLY A 87 19.761 -4.403 3.476 1.00 11.89 N ATOM 1308 CA GLY A 87 20.048 -5.448 2.519 1.00 12.65 C ATOM 1309 C GLY A 87 21.457 -5.367 1.983 1.00 12.97 C ATOM 1310 O GLY A 87 21.675 -5.425 0.772 1.00 13.25 O ATOM 0 H GLY A 87 20.468 -3.670 3.533 1.00 11.89 H new ATOM 0 HA2 GLY A 87 19.897 -6.419 2.990 1.00 12.65 H new ATOM 0 HA3 GLY A 87 19.343 -5.382 1.691 1.00 12.65 H new ATOM 1389 N GLU A 93 25.486 -2.206 6.597 1.00 12.87 N ATOM 1390 CA GLU A 93 24.060 -2.229 6.868 1.00 12.37 C ATOM 1391 C GLU A 93 23.445 -0.859 6.703 1.00 11.13 C ATOM 1392 O GLU A 93 23.612 0.027 7.543 1.00 10.78 O ATOM 1393 CB GLU A 93 23.743 -2.809 8.244 1.00 13.03 C ATOM 1394 CG GLU A 93 23.623 -4.316 8.222 1.00 13.80 C ATOM 1395 CD GLU A 93 23.660 -4.941 9.604 1.00 14.57 C ATOM 1396 OE1 GLU A 93 22.594 -5.044 10.243 1.00 14.92 O1- ATOM 1397 OE2 GLU A 93 24.757 -5.317 10.067 1.00 14.94 O ATOM 0 HA GLU A 93 23.611 -2.892 6.128 1.00 12.37 H new ATOM 0 HB2 GLU A 93 24.525 -2.520 8.946 1.00 13.03 H new ATOM 0 HB3 GLU A 93 22.811 -2.379 8.611 1.00 13.03 H new ATOM 0 HG2 GLU A 93 22.690 -4.592 7.731 1.00 13.80 H new ATOM 0 HG3 GLU A 93 24.434 -4.729 7.622 1.00 13.80 H new ATOM 1404 N ARG A 94 22.726 -0.715 5.613 1.00 10.57 N ATOM 1405 CA ARG A 94 22.053 0.526 5.276 1.00 9.39 C ATOM 1406 C ARG A 94 20.635 0.198 4.843 1.00 8.96 C ATOM 1407 O ARG A 94 20.322 -0.957 4.558 1.00 9.64 O ATOM 1408 CB ARG A 94 22.791 1.255 4.146 1.00 9.13 C ATOM 1409 CG ARG A 94 24.273 1.494 4.411 1.00 9.07 C ATOM 1410 CD ARG A 94 24.513 2.370 5.634 1.00 9.14 C ATOM 1411 NE ARG A 94 25.938 2.552 5.898 1.00 9.49 N ATOM 1412 CZ ARG A 94 26.444 2.875 7.085 1.00 9.84 C ATOM 1413 NH1 ARG A 94 25.648 3.034 8.135 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 27.752 3.038 7.221 1.00 10.27 N ATOM 0 H ARG A 94 22.589 -1.459 4.929 1.00 10.57 H new ATOM 0 HA ARG A 94 22.041 1.182 6.146 1.00 9.39 H new ATOM 0 HB2 ARG A 94 22.688 0.676 3.228 1.00 9.13 H new ATOM 0 HB3 ARG A 94 22.306 2.216 3.973 1.00 9.13 H new ATOM 0 HG2 ARG A 94 24.773 0.536 4.551 1.00 9.07 H new ATOM 0 HG3 ARG A 94 24.724 1.964 3.537 1.00 9.07 H new ATOM 0 HD2 ARG A 94 24.044 3.342 5.483 1.00 9.14 H new ATOM 0 HD3 ARG A 94 24.037 1.918 6.504 1.00 9.14 H new ATOM 0 HE ARG A 94 26.587 2.423 5.122 1.00 9.49 H new ATOM 0 HH11 ARG A 94 24.641 2.908 8.035 1.00 9.96 H new ATOM 0 HH12 ARG A 94 26.044 3.282 9.042 1.00 9.96 H new ATOM 0 HH21 ARG A 94 28.368 2.916 6.417 1.00 10.27 H new ATOM 0 HH22 ARG A 94 28.143 3.286 8.130 1.00 10.27 H new ATOM 1428 N LEU A 95 19.786 1.203 4.808 1.00 7.97 N ATOM 1429 CA LEU A 95 18.391 1.019 4.455 1.00 7.54 C ATOM 1430 C LEU A 95 18.251 1.059 2.938 1.00 6.99 C ATOM 1431 O LEU A 95 18.445 2.103 2.318 1.00 6.27 O ATOM 1432 CB LEU A 95 17.574 2.157 5.084 1.00 6.93 C ATOM 1433 CG LEU A 95 17.425 2.152 6.619 1.00 7.79 C ATOM 1434 CD1 LEU A 95 18.771 2.154 7.337 1.00 8.88 C ATOM 1435 CD2 LEU A 95 16.620 3.361 7.062 1.00 7.89 C ATOM 0 H LEU A 95 20.040 2.167 5.022 1.00 7.97 H new ATOM 0 HA LEU A 95 18.028 0.059 4.823 1.00 7.54 H new ATOM 0 HB2 LEU A 95 18.031 3.102 4.792 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.575 2.137 4.647 1.00 6.93 H new ATOM 0 HG LEU A 95 16.908 1.230 6.887 1.00 7.79 H new ATOM 0 HD11 LEU A 95 18.608 2.150 8.415 1.00 8.88 H new ATOM 0 HD12 LEU A 95 19.337 1.267 7.052 1.00 8.88 H new ATOM 0 HD13 LEU A 95 19.331 3.046 7.058 1.00 8.88 H new ATOM 0 HD21 LEU A 95 16.518 3.352 8.147 1.00 7.89 H new ATOM 0 HD22 LEU A 95 17.132 4.272 6.753 1.00 7.89 H new ATOM 0 HD23 LEU A 95 15.631 3.327 6.604 1.00 7.89 H new ATOM 1447 N LEU A 96 17.908 -0.079 2.345 1.00 7.59 N ATOM 1448 CA LEU A 96 17.846 -0.182 0.895 1.00 7.52 C ATOM 1449 C LEU A 96 16.483 0.224 0.382 1.00 6.76 C ATOM 1450 O LEU A 96 15.460 -0.272 0.850 1.00 6.96 O ATOM 1451 CB LEU A 96 18.157 -1.612 0.425 1.00 8.83 C ATOM 1452 CG LEU A 96 19.635 -1.943 0.192 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.255 -0.981 -0.816 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.402 -1.934 1.503 1.00 9.78 C ATOM 0 H LEU A 96 17.670 -0.937 2.843 1.00 7.59 H new ATOM 0 HA LEU A 96 18.599 0.496 0.492 1.00 7.52 H new ATOM 0 HB2 LEU A 96 17.763 -2.309 1.165 1.00 8.83 H new ATOM 0 HB3 LEU A 96 17.615 -1.793 -0.503 1.00 8.83 H new ATOM 0 HG LEU A 96 19.697 -2.948 -0.225 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.304 -1.236 -0.965 1.00 9.37 H new ATOM 0 HD12 LEU A 96 19.725 -1.057 -1.765 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.180 0.039 -0.439 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.449 -2.172 1.314 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.331 -0.947 1.959 1.00 9.78 H new ATOM 0 HD23 LEU A 96 19.978 -2.677 2.178 1.00 9.78 H new ATOM 1466 N VAL A 97 16.490 1.100 -0.605 1.00 6.13 N ATOM 1467 CA VAL A 97 15.273 1.578 -1.238 1.00 5.45 C ATOM 1468 C VAL A 97 15.538 1.800 -2.718 1.00 5.86 C ATOM 1469 O VAL A 97 16.681 1.980 -3.112 1.00 6.40 O ATOM 1470 CB VAL A 97 14.787 2.909 -0.618 1.00 4.23 C ATOM 1471 CG1 VAL A 97 14.353 2.722 0.830 1.00 4.19 C ATOM 1472 CG2 VAL A 97 15.876 3.962 -0.721 1.00 4.01 C ATOM 0 H VAL A 97 17.343 1.502 -0.993 1.00 6.13 H new ATOM 0 HA VAL A 97 14.499 0.826 -1.086 1.00 5.45 H new ATOM 0 HB VAL A 97 13.916 3.247 -1.180 1.00 4.23 H new ATOM 0 HG11 VAL A 97 14.017 3.677 1.235 1.00 4.19 H new ATOM 0 HG12 VAL A 97 13.536 2.001 0.875 1.00 4.19 H new ATOM 0 HG13 VAL A 97 15.194 2.354 1.417 1.00 4.19 H new ATOM 0 HG21 VAL A 97 15.523 4.895 -0.281 1.00 4.01 H new ATOM 0 HG22 VAL A 97 16.763 3.622 -0.186 1.00 4.01 H new ATOM 0 HG23 VAL A 97 16.125 4.126 -1.769 1.00 4.01 H new ATOM 1482 N PRO A 98 14.504 1.753 -3.563 1.00 5.92 N ATOM 1483 CA PRO A 98 14.629 2.144 -4.970 1.00 6.55 C ATOM 1484 C PRO A 98 15.213 3.552 -5.101 1.00 6.22 C ATOM 1485 O PRO A 98 14.853 4.451 -4.349 1.00 5.29 O ATOM 1486 CB PRO A 98 13.181 2.101 -5.467 1.00 6.53 C ATOM 1487 CG PRO A 98 12.523 1.099 -4.590 1.00 6.39 C ATOM 1488 CD PRO A 98 13.147 1.286 -3.235 1.00 5.71 C ATOM 0 HA PRO A 98 15.299 1.498 -5.538 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.703 3.077 -5.385 1.00 6.53 H new ATOM 0 HB3 PRO A 98 13.129 1.808 -6.516 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.445 1.257 -4.552 1.00 6.39 H new ATOM 0 HG3 PRO A 98 12.683 0.087 -4.960 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.602 2.015 -2.636 1.00 5.71 H new ATOM 0 HD3 PRO A 98 13.166 0.356 -2.666 1.00 5.71 H new ATOM 1496 N SER A 99 16.140 3.731 -6.035 1.00 7.21 N ATOM 1497 CA SER A 99 16.800 5.016 -6.245 1.00 7.37 C ATOM 1498 C SER A 99 15.803 6.149 -6.523 1.00 7.21 C ATOM 1499 O SER A 99 16.102 7.315 -6.263 1.00 7.21 O ATOM 1500 CB SER A 99 17.806 4.900 -7.396 1.00 8.73 C ATOM 1501 OG SER A 99 18.624 6.051 -7.489 1.00 9.29 O ATOM 0 H SER A 99 16.455 2.994 -6.666 1.00 7.21 H new ATOM 0 HA SER A 99 17.322 5.271 -5.322 1.00 7.37 H new ATOM 0 HB2 SER A 99 18.431 4.020 -7.247 1.00 8.73 H new ATOM 0 HB3 SER A 99 17.271 4.756 -8.335 1.00 8.73 H new ATOM 0 HG SER A 99 19.099 6.184 -6.642 1.00 9.29 H new ATOM 1507 N GLU A 100 14.617 5.816 -7.019 1.00 7.31 N ATOM 1508 CA GLU A 100 13.601 6.832 -7.287 1.00 7.41 C ATOM 1509 C GLU A 100 12.710 7.058 -6.063 1.00 6.33 C ATOM 1510 O GLU A 100 11.699 7.758 -6.144 1.00 6.56 O ATOM 1511 CB GLU A 100 12.746 6.437 -8.493 1.00 8.22 C ATOM 1512 CG GLU A 100 13.555 6.198 -9.758 1.00 9.47 C ATOM 1513 CD GLU A 100 12.682 5.934 -10.969 1.00 10.34 C ATOM 1514 OE1 GLU A 100 12.289 6.901 -11.651 1.00 10.65 O1- ATOM 1515 OE2 GLU A 100 12.385 4.751 -11.243 1.00 10.86 O ATOM 0 H GLU A 100 14.335 4.862 -7.242 1.00 7.31 H new ATOM 0 HA GLU A 100 14.117 7.765 -7.513 1.00 7.41 H new ATOM 0 HB2 GLU A 100 12.188 5.532 -8.252 1.00 8.22 H new ATOM 0 HB3 GLU A 100 12.014 7.222 -8.682 1.00 8.22 H new ATOM 0 HG2 GLU A 100 14.185 7.067 -9.951 1.00 9.47 H new ATOM 0 HG3 GLU A 100 14.221 5.349 -9.603 1.00 9.47 H new ATOM 1522 N ALA A 101 13.087 6.484 -4.932 1.00 5.34 N ATOM 1523 CA ALA A 101 12.284 6.604 -3.719 1.00 4.45 C ATOM 1524 C ALA A 101 12.526 7.934 -3.025 1.00 4.45 C ATOM 1525 O ALA A 101 11.592 8.592 -2.559 1.00 4.62 O ATOM 1526 CB ALA A 101 12.594 5.471 -2.756 1.00 3.75 C ATOM 0 H ALA A 101 13.938 5.933 -4.825 1.00 5.34 H new ATOM 0 HA ALA A 101 11.237 6.550 -4.017 1.00 4.45 H new ATOM 0 HB1 ALA A 101 11.985 5.579 -1.859 1.00 3.75 H new ATOM 0 HB2 ALA A 101 12.371 4.517 -3.233 1.00 3.75 H new ATOM 0 HB3 ALA A 101 13.649 5.503 -2.484 1.00 3.75 H new ATOM 1532 N LEU A 102 13.777 8.339 -2.988 1.00 4.73 N ATOM 1533 CA LEU A 102 14.164 9.492 -2.205 1.00 5.07 C ATOM 1534 C LEU A 102 14.079 10.790 -2.996 1.00 6.33 C ATOM 1535 O LEU A 102 14.147 10.803 -4.226 1.00 6.97 O ATOM 1536 CB LEU A 102 15.552 9.281 -1.596 1.00 4.90 C ATOM 1537 CG LEU A 102 16.647 8.827 -2.567 1.00 5.36 C ATOM 1538 CD1 LEU A 102 17.228 10.013 -3.313 1.00 6.64 C ATOM 1539 CD2 LEU A 102 17.738 8.086 -1.817 1.00 4.98 C ATOM 0 H LEU A 102 14.542 7.888 -3.490 1.00 4.73 H new ATOM 0 HA LEU A 102 13.447 9.593 -1.390 1.00 5.07 H new ATOM 0 HB2 LEU A 102 15.869 10.215 -1.132 1.00 4.90 H new ATOM 0 HB3 LEU A 102 15.470 8.541 -0.800 1.00 4.90 H new ATOM 0 HG LEU A 102 16.202 8.150 -3.297 1.00 5.36 H new ATOM 0 HD11 LEU A 102 18.004 9.668 -3.997 1.00 6.64 H new ATOM 0 HD12 LEU A 102 16.439 10.509 -3.879 1.00 6.64 H new ATOM 0 HD13 LEU A 102 17.659 10.716 -2.600 1.00 6.64 H new ATOM 0 HD21 LEU A 102 18.510 7.769 -2.518 1.00 4.98 H new ATOM 0 HD22 LEU A 102 18.177 8.745 -1.068 1.00 4.98 H new ATOM 0 HD23 LEU A 102 17.312 7.211 -1.326 1.00 4.98 H new ATOM 1551 N ILE A 103 13.921 11.871 -2.264 1.00 6.87 N ATOM 1552 CA ILE A 103 13.828 13.204 -2.825 1.00 8.18 C ATOM 1553 C ILE A 103 15.176 13.888 -2.705 1.00 8.75 C ATOM 1554 O ILE A 103 15.799 13.867 -1.646 1.00 8.67 O ATOM 1555 CB ILE A 103 12.768 14.063 -2.080 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.332 13.674 -2.466 1.00 8.52 C ATOM 1557 CG2 ILE A 103 12.991 15.550 -2.330 1.00 10.20 C ATOM 1558 CD1 ILE A 103 10.939 12.269 -2.072 1.00 8.14 C ATOM 0 H ILE A 103 13.852 11.850 -1.247 1.00 6.87 H new ATOM 0 HA ILE A 103 13.528 13.111 -3.869 1.00 8.18 H new ATOM 0 HB ILE A 103 12.894 13.861 -1.016 1.00 8.80 H new ATOM 0 HG12 ILE A 103 10.641 14.376 -2.000 1.00 8.52 H new ATOM 0 HG13 ILE A 103 11.217 13.782 -3.545 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.235 16.126 -1.797 1.00 10.20 H new ATOM 0 HG22 ILE A 103 13.981 15.834 -1.975 1.00 10.20 H new ATOM 0 HG23 ILE A 103 12.916 15.755 -3.398 1.00 10.20 H new ATOM 0 HD11 ILE A 103 9.912 12.078 -2.382 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.603 11.555 -2.559 1.00 8.14 H new ATOM 0 HD13 ILE A 103 11.018 12.159 -0.990 1.00 8.14 H new ATOM 1570 N ARG A 104 15.639 14.472 -3.783 1.00 9.50 N ATOM 1571 CA ARG A 104 16.859 15.249 -3.732 1.00 10.25 C ATOM 1572 C ARG A 104 16.551 16.738 -3.708 1.00 11.48 C ATOM 1573 O ARG A 104 15.806 17.241 -4.553 1.00 12.12 O ATOM 1574 CB ARG A 104 17.789 14.903 -4.892 1.00 10.50 C ATOM 1575 CG ARG A 104 18.524 13.586 -4.709 1.00 9.82 C ATOM 1576 CD ARG A 104 19.587 13.704 -3.634 1.00 9.98 C ATOM 1577 NE ARG A 104 20.453 12.530 -3.583 1.00 10.43 N ATOM 1578 CZ ARG A 104 21.511 12.429 -2.787 1.00 10.83 C ATOM 1579 NH1 ARG A 104 21.847 13.437 -1.989 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 22.244 11.324 -2.802 1.00 11.42 N ATOM 0 H ARG A 104 15.196 14.427 -4.701 1.00 9.50 H new ATOM 0 HA ARG A 104 17.377 14.993 -2.807 1.00 10.25 H new ATOM 0 HB2 ARG A 104 17.207 14.860 -5.813 1.00 10.50 H new ATOM 0 HB3 ARG A 104 18.519 15.703 -5.013 1.00 10.50 H new ATOM 0 HG2 ARG A 104 17.815 12.803 -4.440 1.00 9.82 H new ATOM 0 HG3 ARG A 104 18.985 13.288 -5.651 1.00 9.82 H new ATOM 0 HD2 ARG A 104 20.192 14.592 -3.820 1.00 9.98 H new ATOM 0 HD3 ARG A 104 19.107 13.842 -2.665 1.00 9.98 H new ATOM 0 HE ARG A 104 20.233 11.743 -4.193 1.00 10.43 H new ATOM 0 HH11 ARG A 104 21.291 14.292 -1.986 1.00 10.83 H new ATOM 0 HH12 ARG A 104 22.660 13.355 -1.379 1.00 10.83 H new ATOM 0 HH21 ARG A 104 21.994 10.555 -3.424 1.00 11.42 H new ATOM 0 HH22 ARG A 104 23.057 11.243 -2.192 1.00 11.42 H new ATOM 1594 N THR A 105 17.098 17.434 -2.723 1.00 11.91 N ATOM 1595 CA THR A 105 16.955 18.873 -2.641 1.00 13.15 C ATOM 1596 C THR A 105 18.180 19.495 -1.966 1.00 13.72 C ATOM 1597 O THR A 105 18.646 19.006 -0.938 1.00 13.20 O ATOM 1598 CB THR A 105 15.662 19.280 -1.891 1.00 13.31 C ATOM 1599 OG1 THR A 105 15.554 20.711 -1.820 1.00 14.61 O ATOM 1600 CG2 THR A 105 15.620 18.691 -0.488 1.00 12.61 C ATOM 0 H THR A 105 17.646 17.021 -1.969 1.00 11.91 H new ATOM 0 HA THR A 105 16.879 19.254 -3.660 1.00 13.15 H new ATOM 0 HB THR A 105 14.818 18.881 -2.453 1.00 13.31 H new ATOM 0 HG1 THR A 105 14.732 20.954 -1.345 1.00 14.61 H new ATOM 0 HG21 THR A 105 14.699 18.998 0.008 1.00 12.61 H new ATOM 0 HG22 THR A 105 15.655 17.603 -0.549 1.00 12.61 H new ATOM 0 HG23 THR A 105 16.476 19.050 0.083 1.00 12.61 H new ATOM 1608 N GLY A 106 18.709 20.553 -2.568 1.00 14.84 N ATOM 1609 CA GLY A 106 19.845 21.258 -1.995 1.00 15.52 C ATOM 1610 C GLY A 106 21.016 20.345 -1.681 1.00 14.91 C ATOM 1611 O GLY A 106 21.628 19.772 -2.584 1.00 14.86 O ATOM 0 H GLY A 106 18.370 20.939 -3.449 1.00 14.84 H new ATOM 0 HA2 GLY A 106 20.172 22.033 -2.689 1.00 15.52 H new ATOM 0 HA3 GLY A 106 19.529 21.761 -1.081 1.00 15.52 H new ATOM 1615 N ALA A 107 21.323 20.208 -0.396 1.00 14.57 N ATOM 1616 CA ALA A 107 22.424 19.365 0.041 1.00 14.09 C ATOM 1617 C ALA A 107 21.940 18.266 0.972 1.00 12.88 C ATOM 1618 O ALA A 107 22.621 17.895 1.930 1.00 12.64 O ATOM 1619 CB ALA A 107 23.499 20.203 0.717 1.00 14.99 C ATOM 0 H ALA A 107 20.822 20.672 0.361 1.00 14.57 H new ATOM 0 HA ALA A 107 22.854 18.890 -0.841 1.00 14.09 H new ATOM 0 HB1 ALA A 107 24.316 19.557 1.038 1.00 14.99 H new ATOM 0 HB2 ALA A 107 23.878 20.945 0.014 1.00 14.99 H new ATOM 0 HB3 ALA A 107 23.074 20.709 1.584 1.00 14.99 H new ATOM 1625 N ARG A 108 20.760 17.746 0.691 1.00 12.19 N ATOM 1626 CA ARG A 108 20.156 16.748 1.548 1.00 11.09 C ATOM 1627 C ARG A 108 19.203 15.847 0.779 1.00 10.26 C ATOM 1628 O ARG A 108 18.824 16.145 -0.355 1.00 10.63 O ATOM 1629 CB ARG A 108 19.421 17.425 2.686 1.00 11.48 C ATOM 1630 CG ARG A 108 18.555 18.562 2.204 1.00 12.49 C ATOM 1631 CD ARG A 108 17.814 19.195 3.353 1.00 12.62 C ATOM 1632 NE ARG A 108 16.850 20.195 2.898 1.00 13.67 N ATOM 1633 CZ ARG A 108 15.738 20.520 3.558 1.00 14.22 C ATOM 1634 NH1 ARG A 108 15.473 19.976 4.739 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 14.895 21.404 3.039 1.00 15.20 N ATOM 0 H ARG A 108 20.202 17.999 -0.124 1.00 12.19 H new ATOM 0 HA ARG A 108 20.955 16.123 1.946 1.00 11.09 H new ATOM 0 HB2 ARG A 108 18.802 16.693 3.204 1.00 11.48 H new ATOM 0 HB3 ARG A 108 20.143 17.802 3.411 1.00 11.48 H new ATOM 0 HG2 ARG A 108 19.173 19.310 1.708 1.00 12.49 H new ATOM 0 HG3 ARG A 108 17.843 18.195 1.465 1.00 12.49 H new ATOM 0 HD2 ARG A 108 17.295 18.422 3.919 1.00 12.62 H new ATOM 0 HD3 ARG A 108 18.528 19.662 4.032 1.00 12.62 H new ATOM 0 HE ARG A 108 17.040 20.675 2.019 1.00 13.67 H new ATOM 0 HH11 ARG A 108 16.122 19.304 5.148 1.00 13.92 H new ATOM 0 HH12 ARG A 108 14.620 20.230 5.238 1.00 13.92 H new ATOM 0 HH21 ARG A 108 15.098 21.834 2.137 1.00 15.20 H new ATOM 0 HH22 ARG A 108 14.044 21.654 3.543 1.00 15.20 H new ATOM 1649 N THR A 109 18.802 14.758 1.406 1.00 9.26 N ATOM 1650 CA THR A 109 17.823 13.871 0.819 1.00 8.38 C ATOM 1651 C THR A 109 16.577 13.825 1.694 1.00 8.15 C ATOM 1652 O THR A 109 16.662 13.928 2.919 1.00 8.42 O ATOM 1653 CB THR A 109 18.392 12.453 0.639 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.710 12.529 0.078 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.507 11.635 -0.279 1.00 6.64 C ATOM 0 H THR A 109 19.141 14.468 2.323 1.00 9.26 H new ATOM 0 HA THR A 109 17.562 14.257 -0.166 1.00 8.38 H new ATOM 0 HB THR A 109 18.431 11.971 1.616 1.00 7.38 H new ATOM 0 HG1 THR A 109 20.375 12.424 0.790 1.00 7.95 H new ATOM 0 HG21 THR A 109 17.927 10.636 -0.393 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.507 11.562 0.149 1.00 6.64 H new ATOM 0 HG23 THR A 109 17.449 12.118 -1.254 1.00 6.64 H new ATOM 1663 N ILE A 110 15.423 13.703 1.067 1.00 7.89 N ATOM 1664 CA ILE A 110 14.163 13.652 1.789 1.00 7.87 C ATOM 1665 C ILE A 110 13.400 12.394 1.384 1.00 6.75 C ATOM 1666 O ILE A 110 13.606 11.869 0.296 1.00 6.24 O ATOM 1667 CB ILE A 110 13.289 14.901 1.501 1.00 9.02 C ATOM 1668 CG1 ILE A 110 14.079 16.201 1.715 1.00 10.20 C ATOM 1669 CG2 ILE A 110 12.037 14.902 2.366 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.523 16.434 3.145 1.00 10.55 C ATOM 0 H ILE A 110 15.330 13.637 0.053 1.00 7.89 H new ATOM 0 HA ILE A 110 14.384 13.634 2.856 1.00 7.87 H new ATOM 0 HB ILE A 110 12.990 14.852 0.454 1.00 9.02 H new ATOM 0 HG12 ILE A 110 14.959 16.188 1.072 1.00 10.20 H new ATOM 0 HG13 ILE A 110 13.464 17.043 1.396 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.442 15.788 2.144 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.449 14.008 2.156 1.00 9.31 H new ATOM 0 HG23 ILE A 110 12.322 14.910 3.418 1.00 9.31 H new ATOM 0 HD11 ILE A 110 15.073 17.373 3.207 1.00 10.55 H new ATOM 0 HD12 ILE A 110 13.649 16.483 3.794 1.00 10.55 H new ATOM 0 HD13 ILE A 110 15.167 15.614 3.464 1.00 10.55 H new ATOM 1682 N ALA A 111 12.550 11.894 2.259 1.00 6.58 N ATOM 1683 CA ALA A 111 11.720 10.749 1.938 1.00 5.74 C ATOM 1684 C ALA A 111 10.268 11.037 2.269 1.00 6.51 C ATOM 1685 O ALA A 111 9.962 11.498 3.362 1.00 7.39 O ATOM 1686 CB ALA A 111 12.195 9.522 2.695 1.00 5.00 C ATOM 0 H ALA A 111 12.416 12.263 3.200 1.00 6.58 H new ATOM 0 HA ALA A 111 11.802 10.554 0.869 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.562 8.671 2.443 1.00 5.00 H new ATOM 0 HB2 ALA A 111 13.226 9.301 2.419 1.00 5.00 H new ATOM 0 HB3 ALA A 111 12.139 9.711 3.767 1.00 5.00 H new ATOM 1692 N MET A 112 9.377 10.787 1.329 1.00 6.37 N ATOM 1693 CA MET A 112 7.957 10.949 1.591 1.00 7.19 C ATOM 1694 C MET A 112 7.401 9.625 2.102 1.00 6.90 C ATOM 1695 O MET A 112 7.158 8.697 1.326 1.00 6.29 O ATOM 1696 CB MET A 112 7.216 11.383 0.327 1.00 7.48 C ATOM 1697 CG MET A 112 5.842 11.960 0.623 1.00 8.19 C ATOM 1698 SD MET A 112 4.905 12.360 -0.864 1.00 8.85 S ATOM 1699 CE MET A 112 4.514 10.721 -1.472 1.00 8.24 C ATOM 0 H MET A 112 9.606 10.474 0.386 1.00 6.37 H new ATOM 0 HA MET A 112 7.815 11.726 2.342 1.00 7.19 H new ATOM 0 HB2 MET A 112 7.812 12.127 -0.201 1.00 7.48 H new ATOM 0 HB3 MET A 112 7.110 10.527 -0.340 1.00 7.48 H new ATOM 0 HG2 MET A 112 5.276 11.245 1.220 1.00 8.19 H new ATOM 0 HG3 MET A 112 5.955 12.861 1.227 1.00 8.19 H new ATOM 0 HE1 MET A 112 4.875 10.617 -2.495 1.00 8.24 H new ATOM 0 HE2 MET A 112 4.994 9.974 -0.840 1.00 8.24 H new ATOM 0 HE3 MET A 112 3.434 10.573 -1.451 1.00 8.24 H new ATOM 1709 N VAL A 113 7.229 9.547 3.413 1.00 7.60 N ATOM 1710 CA VAL A 113 6.879 8.306 4.077 1.00 7.75 C ATOM 1711 C VAL A 113 5.373 8.054 4.056 1.00 8.59 C ATOM 1712 O VAL A 113 4.568 8.944 4.342 1.00 9.48 O ATOM 1713 CB VAL A 113 7.399 8.298 5.535 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.727 9.369 6.380 1.00 9.69 C ATOM 1715 CG2 VAL A 113 7.220 6.928 6.163 1.00 8.72 C ATOM 0 H VAL A 113 7.329 10.343 4.043 1.00 7.60 H new ATOM 0 HA VAL A 113 7.360 7.500 3.524 1.00 7.75 H new ATOM 0 HB VAL A 113 8.464 8.528 5.502 1.00 8.42 H new ATOM 0 HG11 VAL A 113 7.119 9.330 7.396 1.00 9.69 H new ATOM 0 HG12 VAL A 113 6.928 10.351 5.951 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.651 9.195 6.400 1.00 9.69 H new ATOM 0 HG21 VAL A 113 7.592 6.946 7.187 1.00 8.72 H new ATOM 0 HG22 VAL A 113 6.162 6.664 6.166 1.00 8.72 H new ATOM 0 HG23 VAL A 113 7.777 6.188 5.587 1.00 8.72 H new ATOM 1725 N ALA A 114 5.014 6.832 3.700 1.00 8.43 N ATOM 1726 CA ALA A 114 3.632 6.393 3.682 1.00 9.31 C ATOM 1727 C ALA A 114 3.206 5.945 5.070 1.00 10.44 C ATOM 1728 O ALA A 114 3.256 4.757 5.393 1.00 10.70 O ATOM 1729 CB ALA A 114 3.457 5.256 2.684 1.00 8.96 C ATOM 0 H ALA A 114 5.679 6.113 3.414 1.00 8.43 H new ATOM 0 HA ALA A 114 3.002 7.228 3.376 1.00 9.31 H new ATOM 0 HB1 ALA A 114 2.416 4.934 2.678 1.00 8.96 H new ATOM 0 HB2 ALA A 114 3.736 5.600 1.688 1.00 8.96 H new ATOM 0 HB3 ALA A 114 4.094 4.419 2.970 1.00 8.96 H new ATOM 1735 N LYS A 115 2.802 6.897 5.893 1.00 11.26 N ATOM 1736 CA LYS A 115 2.378 6.588 7.245 1.00 12.43 C ATOM 1737 C LYS A 115 1.041 5.868 7.236 1.00 13.26 C ATOM 1738 O LYS A 115 0.201 6.107 6.363 1.00 13.19 O ATOM 1739 CB LYS A 115 2.266 7.858 8.091 1.00 13.13 C ATOM 1740 CG LYS A 115 3.595 8.540 8.362 1.00 13.19 C ATOM 1741 CD LYS A 115 3.423 9.749 9.269 1.00 14.08 C ATOM 1742 CE LYS A 115 4.765 10.364 9.633 1.00 14.36 C ATOM 1743 NZ LYS A 115 4.616 11.537 10.535 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.759 7.886 5.649 1.00 11.26 H new ATOM 0 HA LYS A 115 3.134 5.938 7.685 1.00 12.43 H new ATOM 0 HB2 LYS A 115 1.605 8.562 7.585 1.00 13.13 H new ATOM 0 HB3 LYS A 115 1.797 7.608 9.043 1.00 13.13 H new ATOM 0 HG2 LYS A 115 4.282 7.831 8.824 1.00 13.19 H new ATOM 0 HG3 LYS A 115 4.045 8.851 7.419 1.00 13.19 H new ATOM 0 HD2 LYS A 115 2.803 10.494 8.771 1.00 14.08 H new ATOM 0 HD3 LYS A 115 2.898 9.453 10.177 1.00 14.08 H new ATOM 0 HE2 LYS A 115 5.389 9.612 10.117 1.00 14.36 H new ATOM 0 HE3 LYS A 115 5.282 10.670 8.723 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 5.555 11.925 10.758 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 4.043 12.266 10.065 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 4.146 11.241 11.414 1.00 14.88 H new ATOM 1757 N GLY A 116 0.840 5.004 8.220 1.00 14.15 N ATOM 1758 CA GLY A 116 -0.437 4.338 8.378 1.00 15.10 C ATOM 1759 C GLY A 116 -1.469 5.272 8.965 1.00 16.02 C ATOM 1760 O GLY A 116 -2.593 4.873 9.270 1.00 16.92 O ATOM 0 H GLY A 116 1.542 4.751 8.915 1.00 14.15 H new ATOM 0 HA2 GLY A 116 -0.782 3.972 7.411 1.00 15.10 H new ATOM 0 HA3 GLY A 116 -0.320 3.468 9.025 1.00 15.10 H new ATOM 1764 N GLU A 117 -1.070 6.528 9.120 1.00 15.88 N ATOM 1765 CA GLU A 117 -1.942 7.562 9.640 1.00 16.82 C ATOM 1766 C GLU A 117 -2.747 8.198 8.514 1.00 16.56 C ATOM 1767 O GLU A 117 -3.463 9.178 8.711 1.00 17.25 O ATOM 1768 CB GLU A 117 -1.117 8.615 10.369 1.00 17.04 C ATOM 1769 CG GLU A 117 -0.239 8.008 11.442 1.00 17.42 C ATOM 1770 CD GLU A 117 0.434 9.042 12.313 1.00 17.95 C ATOM 1771 OE1 GLU A 117 -0.267 9.708 13.098 1.00 17.82 O1- ATOM 1772 OE2 GLU A 117 1.671 9.192 12.219 1.00 18.56 O ATOM 0 H GLU A 117 -0.132 6.854 8.887 1.00 15.88 H new ATOM 0 HA GLU A 117 -2.641 7.112 10.345 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -0.494 9.148 9.651 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -1.784 9.350 10.820 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -0.843 7.352 12.069 1.00 17.42 H new ATOM 0 HG3 GLU A 117 0.523 7.387 10.971 1.00 17.42 H new ATOM 1779 N GLY A 118 -2.612 7.621 7.326 1.00 15.62 N ATOM 1780 CA GLY A 118 -3.394 8.050 6.183 1.00 15.41 C ATOM 1781 C GLY A 118 -2.731 9.149 5.376 1.00 14.71 C ATOM 1782 O GLY A 118 -3.287 9.608 4.374 1.00 14.71 O ATOM 0 H GLY A 118 -1.967 6.855 7.133 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -3.576 7.193 5.535 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -4.367 8.400 6.529 1.00 15.41 H new ATOM 1786 N GLY A 119 -1.538 9.554 5.787 1.00 14.19 N ATOM 1787 CA GLY A 119 -0.876 10.666 5.148 1.00 13.68 C ATOM 1788 C GLY A 119 0.556 10.351 4.781 1.00 12.53 C ATOM 1789 O GLY A 119 1.166 9.433 5.337 1.00 12.20 O ATOM 0 H GLY A 119 -1.018 9.129 6.554 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -1.426 10.945 4.249 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -0.896 11.529 5.814 1.00 13.68 H new ATOM 1793 N PHE A 120 1.082 11.116 3.843 1.00 12.03 N ATOM 1794 CA PHE A 120 2.448 10.955 3.379 1.00 10.94 C ATOM 1795 C PHE A 120 3.290 12.137 3.849 1.00 11.32 C ATOM 1796 O PHE A 120 3.035 13.276 3.458 1.00 11.97 O ATOM 1797 CB PHE A 120 2.458 10.870 1.856 1.00 10.11 C ATOM 1798 CG PHE A 120 1.755 9.660 1.312 1.00 9.82 C ATOM 1799 CD1 PHE A 120 2.437 8.471 1.123 1.00 9.99 C ATOM 1800 CD2 PHE A 120 0.410 9.715 0.994 1.00 9.56 C ATOM 1801 CE1 PHE A 120 1.789 7.356 0.626 1.00 9.89 C ATOM 1802 CE2 PHE A 120 -0.241 8.605 0.497 1.00 9.49 C ATOM 1803 CZ PHE A 120 0.464 7.421 0.299 1.00 9.66 C ATOM 0 H PHE A 120 0.573 11.869 3.380 1.00 12.03 H new ATOM 0 HA PHE A 120 2.871 10.038 3.789 1.00 10.94 H new ATOM 0 HB2 PHE A 120 1.989 11.765 1.448 1.00 10.11 H new ATOM 0 HB3 PHE A 120 3.491 10.865 1.508 1.00 10.11 H new ATOM 0 HD1 PHE A 120 3.488 8.414 1.367 1.00 9.99 H new ATOM 0 HD2 PHE A 120 -0.136 10.636 1.136 1.00 9.56 H new ATOM 0 HE1 PHE A 120 2.331 6.431 0.496 1.00 9.89 H new ATOM 0 HE2 PHE A 120 -1.294 8.654 0.262 1.00 9.49 H new ATOM 0 HZ PHE A 120 -0.035 6.556 -0.112 1.00 9.66 H new ATOM 1813 N ASP A 121 4.291 11.874 4.681 1.00 11.05 N ATOM 1814 CA ASP A 121 5.056 12.952 5.302 1.00 11.56 C ATOM 1815 C ASP A 121 6.497 12.967 4.802 1.00 10.58 C ATOM 1816 O ASP A 121 7.071 11.910 4.559 1.00 9.55 O ATOM 1817 CB ASP A 121 5.045 12.806 6.825 1.00 12.35 C ATOM 1818 CG ASP A 121 5.270 14.113 7.554 1.00 13.39 C ATOM 1819 OD1 ASP A 121 4.331 14.929 7.632 1.00 13.79 O ATOM 1820 OD2 ASP A 121 6.400 14.343 8.033 1.00 13.91 O1- ATOM 0 H ASP A 121 4.591 10.934 4.940 1.00 11.05 H new ATOM 0 HA ASP A 121 4.583 13.894 5.025 1.00 11.56 H new ATOM 0 HB2 ASP A 121 4.089 12.385 7.136 1.00 12.35 H new ATOM 0 HB3 ASP A 121 5.817 12.096 7.120 1.00 12.35 H new ATOM 1825 N PRO A 122 7.108 14.142 4.637 1.00 10.99 N ATOM 1826 CA PRO A 122 8.503 14.249 4.229 1.00 10.31 C ATOM 1827 C PRO A 122 9.470 14.139 5.412 1.00 10.40 C ATOM 1828 O PRO A 122 9.295 14.786 6.444 1.00 11.44 O ATOM 1829 CB PRO A 122 8.584 15.638 3.585 1.00 11.13 C ATOM 1830 CG PRO A 122 7.269 16.317 3.846 1.00 12.35 C ATOM 1831 CD PRO A 122 6.500 15.458 4.811 1.00 12.29 C ATOM 0 HA PRO A 122 8.793 13.441 3.557 1.00 10.31 H new ATOM 0 HB2 PRO A 122 9.407 16.213 4.010 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.771 15.557 2.514 1.00 11.13 H new ATOM 0 HG2 PRO A 122 7.427 17.312 4.261 1.00 12.35 H new ATOM 0 HG3 PRO A 122 6.712 16.444 2.918 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.598 15.815 5.836 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.435 15.444 4.579 1.00 12.29 H new ATOM 1839 N VAL A 123 10.478 13.295 5.258 1.00 9.36 N ATOM 1840 CA VAL A 123 11.484 13.091 6.290 1.00 9.43 C ATOM 1841 C VAL A 123 12.880 13.380 5.734 1.00 9.05 C ATOM 1842 O VAL A 123 13.206 12.976 4.621 1.00 8.18 O ATOM 1843 CB VAL A 123 11.432 11.641 6.834 1.00 8.79 C ATOM 1844 CG1 VAL A 123 11.861 10.645 5.784 1.00 7.90 C ATOM 1845 CG2 VAL A 123 12.263 11.497 8.100 1.00 9.39 C ATOM 0 H VAL A 123 10.622 12.734 4.418 1.00 9.36 H new ATOM 0 HA VAL A 123 11.271 13.779 7.108 1.00 9.43 H new ATOM 0 HB VAL A 123 10.395 11.424 7.091 1.00 8.79 H new ATOM 0 HG11 VAL A 123 11.813 9.637 6.197 1.00 7.90 H new ATOM 0 HG12 VAL A 123 11.197 10.716 4.923 1.00 7.90 H new ATOM 0 HG13 VAL A 123 12.883 10.862 5.473 1.00 7.90 H new ATOM 0 HG21 VAL A 123 12.206 10.469 8.457 1.00 9.39 H new ATOM 0 HG22 VAL A 123 13.301 11.750 7.884 1.00 9.39 H new ATOM 0 HG23 VAL A 123 11.878 12.169 8.867 1.00 9.39 H new ATOM 1855 N GLU A 124 13.696 14.090 6.493 1.00 9.85 N ATOM 1856 CA GLU A 124 15.064 14.364 6.076 1.00 9.72 C ATOM 1857 C GLU A 124 15.962 13.184 6.427 1.00 8.90 C ATOM 1858 O GLU A 124 16.089 12.808 7.596 1.00 9.21 O ATOM 1859 CB GLU A 124 15.581 15.639 6.734 1.00 10.96 C ATOM 1860 CG GLU A 124 16.920 16.099 6.182 1.00 11.07 C ATOM 1861 CD GLU A 124 17.398 17.386 6.814 1.00 12.34 C ATOM 1862 OE1 GLU A 124 16.943 18.467 6.386 1.00 12.93 O1- ATOM 1863 OE2 GLU A 124 18.233 17.325 7.739 1.00 12.83 O ATOM 0 H GLU A 124 13.439 14.486 7.397 1.00 9.85 H new ATOM 0 HA GLU A 124 15.077 14.508 4.996 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.847 16.433 6.598 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.676 15.473 7.807 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.664 15.319 6.347 1.00 11.07 H new ATOM 0 HG3 GLU A 124 16.836 16.237 5.104 1.00 11.07 H new ATOM 1870 N VAL A 125 16.579 12.602 5.412 1.00 8.03 N ATOM 1871 CA VAL A 125 17.375 11.396 5.585 1.00 7.30 C ATOM 1872 C VAL A 125 18.758 11.545 4.967 1.00 7.38 C ATOM 1873 O VAL A 125 19.012 12.468 4.189 1.00 7.84 O ATOM 1874 CB VAL A 125 16.681 10.174 4.945 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.403 9.828 5.686 1.00 6.15 C ATOM 1876 CG2 VAL A 125 16.391 10.423 3.471 1.00 5.62 C ATOM 0 H VAL A 125 16.544 12.947 4.453 1.00 8.03 H new ATOM 0 HA VAL A 125 17.475 11.241 6.659 1.00 7.30 H new ATOM 0 HB VAL A 125 17.362 9.326 5.021 1.00 6.19 H new ATOM 0 HG11 VAL A 125 14.933 8.964 5.216 1.00 6.15 H new ATOM 0 HG12 VAL A 125 15.637 9.594 6.725 1.00 6.15 H new ATOM 0 HG13 VAL A 125 14.720 10.677 5.650 1.00 6.15 H new ATOM 0 HG21 VAL A 125 15.902 9.548 3.043 1.00 5.62 H new ATOM 0 HG22 VAL A 125 15.737 11.289 3.370 1.00 5.62 H new ATOM 0 HG23 VAL A 125 17.326 10.611 2.943 1.00 5.62 H new ATOM 1886 N LYS A 126 19.650 10.631 5.319 1.00 7.21 N ATOM 1887 CA LYS A 126 20.954 10.570 4.702 1.00 7.44 C ATOM 1888 C LYS A 126 20.952 9.504 3.626 1.00 6.77 C ATOM 1889 O LYS A 126 20.585 8.360 3.880 1.00 6.29 O ATOM 1890 CB LYS A 126 22.063 10.291 5.715 1.00 8.03 C ATOM 1891 CG LYS A 126 23.419 10.126 5.066 1.00 8.46 C ATOM 1892 CD LYS A 126 24.509 9.852 6.082 1.00 9.06 C ATOM 1893 CE LYS A 126 24.741 11.034 7.016 1.00 9.72 C ATOM 1894 NZ LYS A 126 25.200 12.245 6.285 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.487 9.921 6.033 1.00 7.21 H new ATOM 0 HA LYS A 126 21.160 11.546 4.263 1.00 7.44 H new ATOM 0 HB2 LYS A 126 22.106 11.109 6.434 1.00 8.03 H new ATOM 0 HB3 LYS A 126 21.820 9.387 6.274 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.379 9.307 4.348 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.665 11.029 4.506 1.00 8.46 H new ATOM 0 HD2 LYS A 126 24.242 8.974 6.670 1.00 9.06 H new ATOM 0 HD3 LYS A 126 25.437 9.616 5.561 1.00 9.06 H new ATOM 0 HE2 LYS A 126 23.817 11.261 7.548 1.00 9.72 H new ATOM 0 HE3 LYS A 126 25.483 10.762 7.767 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 25.554 12.948 6.965 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 25.963 11.985 5.627 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 24.405 12.650 5.751 1.00 10.39 H new ATOM 1908 N ALA A 127 21.364 9.880 2.436 1.00 7.04 N ATOM 1909 CA ALA A 127 21.326 8.978 1.302 1.00 6.78 C ATOM 1910 C ALA A 127 22.538 9.159 0.411 1.00 7.69 C ATOM 1911 O ALA A 127 22.643 10.164 -0.284 1.00 8.30 O ATOM 1912 CB ALA A 127 20.062 9.211 0.499 1.00 6.34 C ATOM 0 H ALA A 127 21.731 10.808 2.226 1.00 7.04 H new ATOM 0 HA ALA A 127 21.335 7.957 1.684 1.00 6.78 H new ATOM 0 HB1 ALA A 127 20.040 8.530 -0.352 1.00 6.34 H new ATOM 0 HB2 ALA A 127 19.192 9.031 1.130 1.00 6.34 H new ATOM 0 HB3 ALA A 127 20.043 10.240 0.140 1.00 6.34 H new ATOM 1918 N GLY A 128 23.477 8.234 0.439 1.00 8.00 N ATOM 1919 CA GLY A 128 24.477 8.265 -0.597 1.00 8.94 C ATOM 1920 C GLY A 128 25.101 6.925 -0.890 1.00 9.46 C ATOM 1921 O GLY A 128 26.262 6.687 -0.557 1.00 10.10 O ATOM 0 H GLY A 128 23.565 7.490 1.131 1.00 8.00 H new ATOM 0 HA2 GLY A 128 24.026 8.651 -1.511 1.00 8.94 H new ATOM 0 HA3 GLY A 128 25.262 8.964 -0.309 1.00 8.94 H new ATOM 1925 N ALA A 129 24.333 6.046 -1.501 1.00 9.37 N ATOM 1926 CA ALA A 129 24.865 4.963 -2.295 1.00 10.27 C ATOM 1927 C ALA A 129 23.878 4.636 -3.401 1.00 10.12 C ATOM 1928 O ALA A 129 22.710 5.025 -3.317 1.00 9.18 O ATOM 1929 CB ALA A 129 25.186 3.752 -1.452 1.00 10.61 C ATOM 0 H ALA A 129 23.314 6.065 -1.459 1.00 9.37 H new ATOM 0 HA ALA A 129 25.809 5.277 -2.740 1.00 10.27 H new ATOM 0 HB1 ALA A 129 25.583 2.961 -2.088 1.00 10.61 H new ATOM 0 HB2 ALA A 129 25.927 4.019 -0.699 1.00 10.61 H new ATOM 0 HB3 ALA A 129 24.279 3.401 -0.960 1.00 10.61 H new ATOM 1935 N THR A 130 24.318 3.944 -4.428 1.00 11.12 N ATOM 1936 CA THR A 130 23.399 3.399 -5.412 1.00 11.19 C ATOM 1937 C THR A 130 23.942 2.086 -5.945 1.00 12.15 C ATOM 1938 O THR A 130 25.109 1.997 -6.333 1.00 13.17 O ATOM 1939 CB THR A 130 23.156 4.370 -6.577 1.00 11.72 C ATOM 1940 OG1 THR A 130 22.959 5.701 -6.076 1.00 11.18 O ATOM 1941 CG2 THR A 130 21.938 3.953 -7.391 1.00 11.68 C ATOM 0 H THR A 130 25.302 3.744 -4.607 1.00 11.12 H new ATOM 0 HA THR A 130 22.443 3.236 -4.915 1.00 11.19 H new ATOM 0 HB THR A 130 24.034 4.346 -7.223 1.00 11.72 H new ATOM 0 HG1 THR A 130 22.806 6.313 -6.826 1.00 11.18 H new ATOM 0 HG21 THR A 130 21.789 4.657 -8.209 1.00 11.68 H new ATOM 0 HG22 THR A 130 22.096 2.954 -7.797 1.00 11.68 H new ATOM 0 HG23 THR A 130 21.056 3.949 -6.750 1.00 11.68 H new ATOM 1949 N ALA A 131 23.103 1.067 -5.939 1.00 11.92 N ATOM 1950 CA ALA A 131 23.510 -0.249 -6.382 1.00 12.91 C ATOM 1951 C ALA A 131 22.357 -0.993 -7.044 1.00 12.98 C ATOM 1952 O ALA A 131 21.388 -1.367 -6.384 1.00 12.19 O ATOM 1953 CB ALA A 131 24.053 -1.049 -5.209 1.00 12.87 C ATOM 0 H ALA A 131 22.133 1.128 -5.631 1.00 11.92 H new ATOM 0 HA ALA A 131 24.297 -0.127 -7.126 1.00 12.91 H new ATOM 0 HB1 ALA A 131 24.357 -2.038 -5.552 1.00 12.87 H new ATOM 0 HB2 ALA A 131 24.913 -0.533 -4.784 1.00 12.87 H new ATOM 0 HB3 ALA A 131 23.279 -1.151 -4.449 1.00 12.87 H new ATOM 1959 N GLY A 132 22.463 -1.185 -8.353 1.00 14.01 N ATOM 1960 CA GLY A 132 21.476 -1.965 -9.078 1.00 14.34 C ATOM 1961 C GLY A 132 20.119 -1.294 -9.133 1.00 13.47 C ATOM 1962 O GLY A 132 19.088 -1.952 -8.986 1.00 13.23 O ATOM 0 H GLY A 132 23.218 -0.813 -8.929 1.00 14.01 H new ATOM 0 HA2 GLY A 132 21.832 -2.138 -10.094 1.00 14.34 H new ATOM 0 HA3 GLY A 132 21.374 -2.942 -8.605 1.00 14.34 H new ATOM 1966 N GLY A 133 20.115 0.016 -9.329 1.00 13.12 N ATOM 1967 CA GLY A 133 18.868 0.745 -9.430 1.00 12.40 C ATOM 1968 C GLY A 133 18.288 1.093 -8.076 1.00 10.98 C ATOM 1969 O GLY A 133 17.227 1.716 -7.985 1.00 10.30 O ATOM 0 H GLY A 133 20.955 0.588 -9.420 1.00 13.12 H new ATOM 0 HA2 GLY A 133 19.031 1.661 -9.998 1.00 12.40 H new ATOM 0 HA3 GLY A 133 18.146 0.148 -9.988 1.00 12.40 H new ATOM 1973 N GLN A 134 18.984 0.710 -7.017 1.00 10.62 N ATOM 1974 CA GLN A 134 18.518 0.991 -5.678 1.00 9.33 C ATOM 1975 C GLN A 134 19.471 1.946 -5.003 1.00 8.96 C ATOM 1976 O GLN A 134 20.645 2.001 -5.354 1.00 9.81 O ATOM 1977 CB GLN A 134 18.374 -0.281 -4.837 1.00 9.38 C ATOM 1978 CG GLN A 134 17.373 -1.282 -5.392 1.00 9.89 C ATOM 1979 CD GLN A 134 17.262 -2.535 -4.541 1.00 10.08 C ATOM 1980 OE1 GLN A 134 17.468 -2.395 -3.240 1.00 10.39 O flip ATOM 1981 NE2 GLN A 134 16.988 -3.623 -5.050 1.00 10.17 N flip ATOM 0 H GLN A 134 19.870 0.206 -7.063 1.00 10.62 H new ATOM 0 HA GLN A 134 17.529 1.442 -5.759 1.00 9.33 H new ATOM 0 HB2 GLN A 134 19.348 -0.763 -4.758 1.00 9.38 H new ATOM 0 HB3 GLN A 134 18.072 -0.004 -3.827 1.00 9.38 H new ATOM 0 HG2 GLN A 134 16.394 -0.809 -5.463 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.667 -1.560 -6.404 1.00 9.89 H new ATOM 0 HE21 GLN A 134 16.836 -3.691 -6.056 1.00 10.17 H new ATOM 0 HE22 GLN A 134 16.913 -4.455 -4.465 1.00 10.17 H new ATOM 1990 N SER A 135 18.987 2.671 -4.030 1.00 7.82 N ATOM 1991 CA SER A 135 19.820 3.590 -3.309 1.00 7.56 C ATOM 1992 C SER A 135 19.983 3.128 -1.871 1.00 7.12 C ATOM 1993 O SER A 135 19.245 2.256 -1.401 1.00 6.78 O ATOM 1994 CB SER A 135 19.259 5.011 -3.377 1.00 6.91 C ATOM 1995 OG SER A 135 19.354 5.538 -4.691 1.00 6.85 O ATOM 0 H SER A 135 18.016 2.641 -3.719 1.00 7.82 H new ATOM 0 HA SER A 135 20.804 3.608 -3.777 1.00 7.56 H new ATOM 0 HB2 SER A 135 18.217 5.009 -3.058 1.00 6.91 H new ATOM 0 HB3 SER A 135 19.803 5.653 -2.685 1.00 6.91 H new ATOM 0 HG SER A 135 19.031 6.463 -4.696 1.00 6.85 H new ATOM 2001 N GLU A 136 20.952 3.690 -1.186 1.00 7.39 N ATOM 2002 CA GLU A 136 21.161 3.369 0.216 1.00 7.25 C ATOM 2003 C GLU A 136 20.855 4.561 1.106 1.00 6.42 C ATOM 2004 O GLU A 136 21.518 5.598 1.046 1.00 6.54 O ATOM 2005 CB GLU A 136 22.595 2.904 0.435 1.00 8.31 C ATOM 2006 CG GLU A 136 22.880 1.557 -0.210 1.00 9.31 C ATOM 2007 CD GLU A 136 24.253 1.009 0.127 1.00 10.29 C ATOM 2008 OE1 GLU A 136 24.661 1.079 1.306 1.00 10.79 O1- ATOM 2009 OE2 GLU A 136 24.941 0.519 -0.795 1.00 10.69 O ATOM 0 H GLU A 136 21.608 4.370 -1.570 1.00 7.39 H new ATOM 0 HA GLU A 136 20.477 2.565 0.486 1.00 7.25 H new ATOM 0 HB2 GLU A 136 23.280 3.649 0.029 1.00 8.31 H new ATOM 0 HB3 GLU A 136 22.792 2.839 1.505 1.00 8.31 H new ATOM 0 HG2 GLU A 136 22.122 0.841 0.110 1.00 9.31 H new ATOM 0 HG3 GLU A 136 22.791 1.654 -1.292 1.00 9.31 H new ATOM 2016 N ILE A 137 19.809 4.410 1.900 1.00 5.86 N ATOM 2017 CA ILE A 137 19.494 5.359 2.944 1.00 5.49 C ATOM 2018 C ILE A 137 20.326 5.024 4.160 1.00 6.25 C ATOM 2019 O ILE A 137 20.065 4.048 4.862 1.00 6.73 O ATOM 2020 CB ILE A 137 17.991 5.343 3.310 1.00 4.93 C ATOM 2021 CG1 ILE A 137 17.155 5.841 2.134 1.00 4.16 C ATOM 2022 CG2 ILE A 137 17.724 6.191 4.549 1.00 5.24 C ATOM 2023 CD1 ILE A 137 17.502 7.247 1.712 1.00 4.21 C ATOM 0 H ILE A 137 19.158 3.627 1.836 1.00 5.86 H new ATOM 0 HA ILE A 137 19.723 6.362 2.584 1.00 5.49 H new ATOM 0 HB ILE A 137 17.705 4.315 3.534 1.00 4.93 H new ATOM 0 HG12 ILE A 137 17.295 5.169 1.287 1.00 4.16 H new ATOM 0 HG13 ILE A 137 16.100 5.799 2.403 1.00 4.16 H new ATOM 0 HG21 ILE A 137 16.660 6.164 4.786 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.294 5.796 5.390 1.00 5.24 H new ATOM 0 HG23 ILE A 137 18.027 7.220 4.358 1.00 5.24 H new ATOM 0 HD11 ILE A 137 16.872 7.541 0.872 1.00 4.21 H new ATOM 0 HD12 ILE A 137 17.336 7.929 2.546 1.00 4.21 H new ATOM 0 HD13 ILE A 137 18.549 7.289 1.412 1.00 4.21 H new ATOM 2035 N LEU A 138 21.350 5.823 4.374 1.00 6.60 N ATOM 2036 CA LEU A 138 22.304 5.573 5.432 1.00 7.40 C ATOM 2037 C LEU A 138 21.657 5.819 6.779 1.00 7.59 C ATOM 2038 O LEU A 138 21.739 4.991 7.684 1.00 8.21 O ATOM 2039 CB LEU A 138 23.535 6.479 5.287 1.00 7.87 C ATOM 2040 CG LEU A 138 24.492 6.206 4.109 1.00 8.31 C ATOM 2041 CD1 LEU A 138 23.961 5.136 3.168 1.00 7.93 C ATOM 2042 CD2 LEU A 138 24.747 7.496 3.348 1.00 8.79 C ATOM 0 H LEU A 138 21.543 6.659 3.823 1.00 6.60 H new ATOM 0 HA LEU A 138 22.624 4.534 5.361 1.00 7.40 H new ATOM 0 HB2 LEU A 138 23.186 7.508 5.204 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.111 6.412 6.210 1.00 7.87 H new ATOM 0 HG LEU A 138 25.427 5.830 4.524 1.00 8.31 H new ATOM 0 HD11 LEU A 138 24.671 4.981 2.356 1.00 7.93 H new ATOM 0 HD12 LEU A 138 23.827 4.203 3.716 1.00 7.93 H new ATOM 0 HD13 LEU A 138 23.004 5.456 2.757 1.00 7.93 H new ATOM 0 HD21 LEU A 138 25.424 7.300 2.516 1.00 8.79 H new ATOM 0 HD22 LEU A 138 23.804 7.885 2.965 1.00 8.79 H new ATOM 0 HD23 LEU A 138 25.197 8.230 4.017 1.00 8.79 H new ATOM 2054 N GLU A 139 21.005 6.966 6.900 1.00 7.31 N ATOM 2055 CA GLU A 139 20.427 7.383 8.164 1.00 7.84 C ATOM 2056 C GLU A 139 19.118 8.129 7.954 1.00 7.45 C ATOM 2057 O GLU A 139 18.835 8.598 6.853 1.00 6.77 O ATOM 2058 CB GLU A 139 21.424 8.269 8.906 1.00 8.66 C ATOM 2059 CG GLU A 139 22.605 7.505 9.476 1.00 9.21 C ATOM 2060 CD GLU A 139 23.727 8.411 9.916 1.00 9.98 C ATOM 2061 OE1 GLU A 139 23.551 9.135 10.918 1.00 10.28 O1- ATOM 2062 OE2 GLU A 139 24.794 8.403 9.267 1.00 10.44 O ATOM 0 H GLU A 139 20.864 7.625 6.134 1.00 7.31 H new ATOM 0 HA GLU A 139 20.210 6.494 8.757 1.00 7.84 H new ATOM 0 HB2 GLU A 139 21.792 9.037 8.226 1.00 8.66 H new ATOM 0 HB3 GLU A 139 20.908 8.783 9.717 1.00 8.66 H new ATOM 0 HG2 GLU A 139 22.271 6.909 10.325 1.00 9.21 H new ATOM 0 HG3 GLU A 139 22.979 6.809 8.725 1.00 9.21 H new ATOM 2069 N GLY A 140 18.324 8.234 9.010 1.00 8.06 N ATOM 2070 CA GLY A 140 17.128 9.048 8.962 1.00 8.05 C ATOM 2071 C GLY A 140 15.855 8.262 9.204 1.00 8.05 C ATOM 2072 O GLY A 140 15.057 8.617 10.070 1.00 8.87 O ATOM 0 H GLY A 140 18.488 7.768 9.902 1.00 8.06 H new ATOM 0 HA2 GLY A 140 17.205 9.839 9.708 1.00 8.05 H new ATOM 0 HA3 GLY A 140 17.067 9.534 7.988 1.00 8.05 H new ATOM 2076 N LEU A 141 15.664 7.192 8.445 1.00 7.34 N ATOM 2077 CA LEU A 141 14.436 6.406 8.531 1.00 7.46 C ATOM 2078 C LEU A 141 14.654 5.086 9.260 1.00 8.16 C ATOM 2079 O LEU A 141 15.715 4.849 9.835 1.00 8.50 O ATOM 2080 CB LEU A 141 13.876 6.143 7.132 1.00 6.40 C ATOM 2081 CG LEU A 141 12.975 7.243 6.577 1.00 6.03 C ATOM 2082 CD1 LEU A 141 12.594 6.930 5.144 1.00 5.58 C ATOM 2083 CD2 LEU A 141 11.725 7.399 7.439 1.00 6.58 C ATOM 0 H LEU A 141 16.340 6.847 7.764 1.00 7.34 H new ATOM 0 HA LEU A 141 13.717 6.988 9.107 1.00 7.46 H new ATOM 0 HB2 LEU A 141 14.710 5.997 6.445 1.00 6.40 H new ATOM 0 HB3 LEU A 141 13.313 5.210 7.153 1.00 6.40 H new ATOM 0 HG LEU A 141 13.523 8.185 6.597 1.00 6.03 H new ATOM 0 HD11 LEU A 141 11.951 7.721 4.757 1.00 5.58 H new ATOM 0 HD12 LEU A 141 13.495 6.864 4.534 1.00 5.58 H new ATOM 0 HD13 LEU A 141 12.061 5.980 5.108 1.00 5.58 H new ATOM 0 HD21 LEU A 141 11.095 8.188 7.027 1.00 6.58 H new ATOM 0 HD22 LEU A 141 11.171 6.460 7.449 1.00 6.58 H new ATOM 0 HD23 LEU A 141 12.015 7.660 8.457 1.00 6.58 H new ATOM 2095 N LYS A 142 13.633 4.238 9.230 1.00 8.54 N ATOM 2096 CA LYS A 142 13.670 2.949 9.903 1.00 9.51 C ATOM 2097 C LYS A 142 12.922 1.913 9.085 1.00 9.48 C ATOM 2098 O LYS A 142 12.050 2.239 8.287 1.00 8.97 O ATOM 2099 CB LYS A 142 13.014 3.079 11.276 1.00 10.71 C ATOM 2100 CG LYS A 142 13.082 1.808 12.106 1.00 11.83 C ATOM 2101 CD LYS A 142 12.551 2.015 13.520 1.00 12.89 C ATOM 2102 CE LYS A 142 13.401 3.004 14.309 1.00 13.50 C ATOM 2103 NZ LYS A 142 14.814 2.554 14.438 1.00 14.15 N1+ ATOM 0 H LYS A 142 12.759 4.426 8.739 1.00 8.54 H new ATOM 0 HA LYS A 142 14.707 2.633 10.015 1.00 9.51 H new ATOM 0 HB2 LYS A 142 13.497 3.888 11.825 1.00 10.71 H new ATOM 0 HB3 LYS A 142 11.970 3.362 11.145 1.00 10.71 H new ATOM 0 HG2 LYS A 142 12.506 1.024 11.615 1.00 11.83 H new ATOM 0 HG3 LYS A 142 14.115 1.462 12.154 1.00 11.83 H new ATOM 0 HD2 LYS A 142 11.524 2.377 13.472 1.00 12.89 H new ATOM 0 HD3 LYS A 142 12.528 1.059 14.043 1.00 12.89 H new ATOM 0 HE2 LYS A 142 13.375 3.976 13.817 1.00 13.50 H new ATOM 0 HE3 LYS A 142 12.972 3.138 15.302 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 15.303 3.142 15.143 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 14.835 1.560 14.742 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 15.293 2.646 13.519 1.00 14.15 H new ATOM 2117 N ALA A 143 13.292 0.660 9.291 1.00 10.19 N ATOM 2118 CA ALA A 143 12.670 -0.453 8.600 1.00 10.49 C ATOM 2119 C ALA A 143 11.230 -0.608 9.041 1.00 11.20 C ATOM 2120 O ALA A 143 10.940 -0.663 10.238 1.00 12.12 O ATOM 2121 CB ALA A 143 13.434 -1.733 8.846 1.00 11.37 C ATOM 0 H ALA A 143 14.030 0.388 9.940 1.00 10.19 H new ATOM 0 HA ALA A 143 12.689 -0.244 7.530 1.00 10.49 H new ATOM 0 HB1 ALA A 143 12.949 -2.554 8.318 1.00 11.37 H new ATOM 0 HB2 ALA A 143 14.456 -1.622 8.484 1.00 11.37 H new ATOM 0 HB3 ALA A 143 13.449 -1.948 9.914 1.00 11.37 H new ATOM 2127 N GLY A 144 10.343 -0.691 8.067 1.00 10.88 N ATOM 2128 CA GLY A 144 8.924 -0.668 8.348 1.00 11.54 C ATOM 2129 C GLY A 144 8.292 0.610 7.841 1.00 10.82 C ATOM 2130 O GLY A 144 7.070 0.732 7.776 1.00 11.32 O ATOM 0 H GLY A 144 10.581 -0.775 7.079 1.00 10.88 H new ATOM 0 HA2 GLY A 144 8.443 -1.527 7.880 1.00 11.54 H new ATOM 0 HA3 GLY A 144 8.761 -0.758 9.422 1.00 11.54 H new ATOM 2134 N GLN A 145 9.142 1.552 7.457 1.00 9.74 N ATOM 2135 CA GLN A 145 8.697 2.843 6.950 1.00 9.10 C ATOM 2136 C GLN A 145 8.626 2.794 5.430 1.00 8.05 C ATOM 2137 O GLN A 145 9.618 2.539 4.757 1.00 7.35 O ATOM 2138 CB GLN A 145 9.671 3.941 7.394 1.00 8.76 C ATOM 2139 CG GLN A 145 9.745 4.116 8.905 1.00 9.88 C ATOM 2140 CD GLN A 145 8.412 4.497 9.517 1.00 10.75 C ATOM 2141 OE1 GLN A 145 7.606 5.192 8.903 1.00 11.13 O ATOM 2142 NE2 GLN A 145 8.162 4.033 10.730 1.00 11.24 N ATOM 0 H GLN A 145 10.156 1.444 7.488 1.00 9.74 H new ATOM 0 HA GLN A 145 7.708 3.067 7.349 1.00 9.10 H new ATOM 0 HB2 GLN A 145 10.666 3.708 7.015 1.00 8.76 H new ATOM 0 HB3 GLN A 145 9.371 4.886 6.941 1.00 8.76 H new ATOM 0 HG2 GLN A 145 10.095 3.188 9.357 1.00 9.88 H new ATOM 0 HG3 GLN A 145 10.481 4.884 9.142 1.00 9.88 H new ATOM 0 HE21 GLN A 145 8.855 3.459 11.209 1.00 11.24 H new ATOM 0 HE22 GLN A 145 7.276 4.249 11.186 1.00 11.24 H new ATOM 2151 N GLN A 146 7.433 2.989 4.901 1.00 8.12 N ATOM 2152 CA GLN A 146 7.210 2.927 3.465 1.00 7.34 C ATOM 2153 C GLN A 146 7.509 4.263 2.816 1.00 6.41 C ATOM 2154 O GLN A 146 7.054 5.297 3.281 1.00 6.79 O ATOM 2155 CB GLN A 146 5.758 2.554 3.177 1.00 8.14 C ATOM 2156 CG GLN A 146 5.477 1.085 3.344 1.00 9.01 C ATOM 2157 CD GLN A 146 4.019 0.720 3.126 1.00 9.89 C ATOM 2158 OE1 GLN A 146 3.361 1.393 2.194 1.00 10.17 O flip ATOM 2159 NE2 GLN A 146 3.499 -0.192 3.768 1.00 10.49 N flip ATOM 0 H GLN A 146 6.596 3.193 5.447 1.00 8.12 H new ATOM 0 HA GLN A 146 7.878 2.170 3.053 1.00 7.34 H new ATOM 0 HB2 GLN A 146 5.106 3.120 3.843 1.00 8.14 H new ATOM 0 HB3 GLN A 146 5.509 2.851 2.158 1.00 8.14 H new ATOM 0 HG2 GLN A 146 6.093 0.523 2.642 1.00 9.01 H new ATOM 0 HG3 GLN A 146 5.775 0.778 4.347 1.00 9.01 H new ATOM 0 HE21 GLN A 146 4.038 -0.688 4.478 1.00 10.49 H new ATOM 0 HE22 GLN A 146 2.529 -0.452 3.590 1.00 10.49 H new ATOM 2168 N VAL A 147 8.264 4.229 1.736 1.00 5.45 N ATOM 2169 CA VAL A 147 8.637 5.437 1.013 1.00 4.76 C ATOM 2170 C VAL A 147 8.189 5.339 -0.435 1.00 4.67 C ATOM 2171 O VAL A 147 8.237 4.262 -1.024 1.00 4.76 O ATOM 2172 CB VAL A 147 10.161 5.687 1.068 1.00 3.89 C ATOM 2173 CG1 VAL A 147 10.588 6.041 2.482 1.00 4.21 C ATOM 2174 CG2 VAL A 147 10.936 4.474 0.571 1.00 3.49 C ATOM 0 H VAL A 147 8.637 3.369 1.333 1.00 5.45 H new ATOM 0 HA VAL A 147 8.138 6.277 1.496 1.00 4.76 H new ATOM 0 HB VAL A 147 10.388 6.526 0.410 1.00 3.89 H new ATOM 0 HG11 VAL A 147 11.664 6.214 2.505 1.00 4.21 H new ATOM 0 HG12 VAL A 147 10.068 6.944 2.804 1.00 4.21 H new ATOM 0 HG13 VAL A 147 10.339 5.220 3.154 1.00 4.21 H new ATOM 0 HG21 VAL A 147 12.005 4.680 0.621 1.00 3.49 H new ATOM 0 HG22 VAL A 147 10.702 3.612 1.196 1.00 3.49 H new ATOM 0 HG23 VAL A 147 10.656 4.261 -0.461 1.00 3.49 H new ATOM 2184 N VAL A 148 7.736 6.456 -0.993 1.00 4.95 N ATOM 2185 CA VAL A 148 7.205 6.476 -2.352 1.00 5.28 C ATOM 2186 C VAL A 148 8.292 6.150 -3.381 1.00 4.93 C ATOM 2187 O VAL A 148 9.336 6.797 -3.432 1.00 4.74 O ATOM 2188 CB VAL A 148 6.545 7.840 -2.679 1.00 6.08 C ATOM 2189 CG1 VAL A 148 7.546 8.983 -2.565 1.00 6.56 C ATOM 2190 CG2 VAL A 148 5.904 7.814 -4.061 1.00 6.56 C ATOM 0 H VAL A 148 7.726 7.362 -0.524 1.00 4.95 H new ATOM 0 HA VAL A 148 6.439 5.703 -2.410 1.00 5.28 H new ATOM 0 HB VAL A 148 5.760 8.014 -1.943 1.00 6.08 H new ATOM 0 HG11 VAL A 148 7.051 9.925 -2.801 1.00 6.56 H new ATOM 0 HG12 VAL A 148 7.938 9.023 -1.549 1.00 6.56 H new ATOM 0 HG13 VAL A 148 8.366 8.819 -3.264 1.00 6.56 H new ATOM 0 HG21 VAL A 148 5.447 8.782 -4.268 1.00 6.56 H new ATOM 0 HG22 VAL A 148 6.666 7.604 -4.812 1.00 6.56 H new ATOM 0 HG23 VAL A 148 5.140 7.038 -4.093 1.00 6.56 H new ATOM 2200 N VAL A 149 8.035 5.140 -4.200 1.00 5.25 N ATOM 2201 CA VAL A 149 9.028 4.629 -5.137 1.00 5.51 C ATOM 2202 C VAL A 149 8.456 4.533 -6.541 1.00 6.47 C ATOM 2203 O VAL A 149 8.846 3.672 -7.334 1.00 6.99 O ATOM 2204 CB VAL A 149 9.541 3.246 -4.691 1.00 5.65 C ATOM 2205 CG1 VAL A 149 9.992 3.325 -3.261 1.00 5.29 C ATOM 2206 CG2 VAL A 149 8.472 2.177 -4.828 1.00 6.22 C ATOM 0 H VAL A 149 7.139 4.654 -4.235 1.00 5.25 H new ATOM 0 HA VAL A 149 9.862 5.331 -5.146 1.00 5.51 H new ATOM 0 HB VAL A 149 10.373 2.968 -5.338 1.00 5.65 H new ATOM 0 HG11 VAL A 149 10.356 2.349 -2.940 1.00 5.29 H new ATOM 0 HG12 VAL A 149 10.793 4.058 -3.172 1.00 5.29 H new ATOM 0 HG13 VAL A 149 9.154 3.625 -2.631 1.00 5.29 H new ATOM 0 HG21 VAL A 149 8.874 1.217 -4.503 1.00 6.22 H new ATOM 0 HG22 VAL A 149 7.614 2.439 -4.209 1.00 6.22 H new ATOM 0 HG23 VAL A 149 8.160 2.106 -5.870 1.00 6.22 H new ATOM 2234 N GLN A 152 9.119 2.643 -12.741 1.00 8.97 N ATOM 2235 CA GLN A 152 9.239 1.270 -13.218 1.00 9.41 C ATOM 2236 C GLN A 152 9.789 1.223 -14.632 1.00 9.73 C ATOM 2237 O GLN A 152 9.029 1.017 -15.583 1.00 9.97 O ATOM 2238 CB GLN A 152 7.879 0.563 -13.174 1.00 10.01 C ATOM 2239 CG GLN A 152 7.496 0.051 -11.796 1.00 10.63 C ATOM 2240 CD GLN A 152 8.397 -1.078 -11.326 1.00 11.38 C ATOM 2241 OE1 GLN A 152 9.505 -0.728 -10.693 1.00 11.71 O flip ATOM 2242 NE2 GLN A 152 8.103 -2.251 -11.543 1.00 11.84 N flip ATOM 0 HA GLN A 152 9.936 0.754 -12.557 1.00 9.41 H new ATOM 0 HB2 GLN A 152 7.110 1.253 -13.521 1.00 10.01 H new ATOM 0 HB3 GLN A 152 7.893 -0.275 -13.871 1.00 10.01 H new ATOM 0 HG2 GLN A 152 7.544 0.872 -11.080 1.00 10.63 H new ATOM 0 HG3 GLN A 152 6.463 -0.296 -11.815 1.00 10.63 H new ATOM 0 HE21 GLN A 152 7.239 -2.478 -12.035 1.00 11.84 H new ATOM 0 HE22 GLN A 152 8.723 -2.998 -11.231 1.00 11.84 H new ATOM 2251 N PHE A 153 11.102 1.429 -14.765 1.00 9.95 N ATOM 2252 CA PHE A 153 11.796 1.297 -16.053 1.00 10.47 C ATOM 2253 C PHE A 153 11.442 2.455 -16.990 1.00 10.93 C ATOM 2254 O PHE A 153 12.264 3.332 -17.258 1.00 11.34 O ATOM 2255 CB PHE A 153 11.439 -0.055 -16.691 1.00 10.62 C ATOM 2256 CG PHE A 153 12.170 -0.345 -17.968 1.00 11.04 C ATOM 2257 CD1 PHE A 153 13.506 -0.705 -17.951 1.00 11.27 C ATOM 2258 CD2 PHE A 153 11.524 -0.243 -19.187 1.00 11.41 C ATOM 2259 CE1 PHE A 153 14.183 -0.966 -19.124 1.00 11.87 C ATOM 2260 CE2 PHE A 153 12.195 -0.499 -20.365 1.00 12.02 C ATOM 2261 CZ PHE A 153 13.518 -0.896 -20.331 1.00 12.24 C ATOM 0 H PHE A 153 11.712 1.690 -13.990 1.00 9.95 H new ATOM 0 HA PHE A 153 12.872 1.335 -15.880 1.00 10.47 H new ATOM 0 HB2 PHE A 153 11.652 -0.849 -15.975 1.00 10.62 H new ATOM 0 HB3 PHE A 153 10.367 -0.080 -16.886 1.00 10.62 H new ATOM 0 HD1 PHE A 153 14.025 -0.783 -17.007 1.00 11.27 H new ATOM 0 HD2 PHE A 153 10.482 0.040 -19.217 1.00 11.41 H new ATOM 0 HE1 PHE A 153 15.231 -1.225 -19.098 1.00 11.87 H new ATOM 0 HE2 PHE A 153 11.687 -0.389 -21.312 1.00 12.02 H new ATOM 0 HZ PHE A 153 14.030 -1.151 -21.247 1.00 12.24 H new ATOM 2271 N LEU A 154 10.212 2.446 -17.481 1.00 11.05 N ATOM 2272 CA LEU A 154 9.746 3.434 -18.439 1.00 11.63 C ATOM 2273 C LEU A 154 8.592 4.213 -17.815 1.00 11.39 C ATOM 2274 O LEU A 154 8.509 4.297 -16.591 1.00 11.57 O ATOM 2275 CB LEU A 154 9.298 2.730 -19.726 1.00 12.16 C ATOM 2276 CG LEU A 154 9.389 3.563 -21.007 1.00 12.68 C ATOM 2277 CD1 LEU A 154 10.839 3.895 -21.323 1.00 13.16 C ATOM 2278 CD2 LEU A 154 8.747 2.817 -22.164 1.00 13.04 C ATOM 0 H LEU A 154 9.509 1.752 -17.226 1.00 11.05 H new ATOM 0 HA LEU A 154 10.548 4.127 -18.692 1.00 11.63 H new ATOM 0 HB2 LEU A 154 9.902 1.832 -19.855 1.00 12.16 H new ATOM 0 HB3 LEU A 154 8.265 2.405 -19.599 1.00 12.16 H new ATOM 0 HG LEU A 154 8.850 4.498 -20.855 1.00 12.68 H new ATOM 0 HD11 LEU A 154 10.886 4.488 -22.237 1.00 13.16 H new ATOM 0 HD12 LEU A 154 11.270 4.464 -20.499 1.00 13.16 H new ATOM 0 HD13 LEU A 154 11.402 2.972 -21.460 1.00 13.16 H new ATOM 0 HD21 LEU A 154 8.818 3.420 -23.070 1.00 13.04 H new ATOM 0 HD22 LEU A 154 9.263 1.869 -22.317 1.00 13.04 H new ATOM 0 HD23 LEU A 154 7.698 2.626 -21.937 1.00 13.04 H new ATOM 2290 N ILE A 155 7.712 4.779 -18.639 1.00 11.17 N ATOM 2291 CA ILE A 155 6.544 5.496 -18.133 1.00 11.08 C ATOM 2292 C ILE A 155 5.699 4.575 -17.258 1.00 10.31 C ATOM 2293 O ILE A 155 4.933 3.743 -17.750 1.00 9.93 O ATOM 2294 CB ILE A 155 5.680 6.070 -19.280 1.00 11.39 C ATOM 2295 CG1 ILE A 155 6.518 7.021 -20.141 1.00 11.61 C ATOM 2296 CG2 ILE A 155 4.456 6.789 -18.724 1.00 11.66 C ATOM 2297 CD1 ILE A 155 5.758 7.634 -21.298 1.00 11.95 C ATOM 0 H ILE A 155 7.785 4.755 -19.656 1.00 11.17 H new ATOM 0 HA ILE A 155 6.907 6.334 -17.537 1.00 11.08 H new ATOM 0 HB ILE A 155 5.334 5.245 -19.903 1.00 11.39 H new ATOM 0 HG12 ILE A 155 6.905 7.821 -19.510 1.00 11.61 H new ATOM 0 HG13 ILE A 155 7.379 6.478 -20.532 1.00 11.61 H new ATOM 0 HG21 ILE A 155 3.862 7.185 -19.547 1.00 11.66 H new ATOM 0 HG22 ILE A 155 3.854 6.088 -18.146 1.00 11.66 H new ATOM 0 HG23 ILE A 155 4.776 7.608 -18.081 1.00 11.66 H new ATOM 0 HD11 ILE A 155 6.420 8.294 -21.859 1.00 11.95 H new ATOM 0 HD12 ILE A 155 5.394 6.843 -21.954 1.00 11.95 H new ATOM 0 HD13 ILE A 155 4.913 8.207 -20.916 1.00 11.95 H new ATOM 2309 N ASP A 156 5.853 4.731 -15.952 1.00 10.31 N ATOM 2310 CA ASP A 156 5.237 3.833 -14.988 1.00 9.81 C ATOM 2311 C ASP A 156 3.794 4.221 -14.725 1.00 9.63 C ATOM 2312 O ASP A 156 3.079 3.506 -14.034 1.00 9.09 O ATOM 2313 CB ASP A 156 6.015 3.835 -13.670 1.00 10.26 C ATOM 2314 CG ASP A 156 5.816 5.114 -12.879 1.00 10.68 C ATOM 2315 OD1 ASP A 156 6.334 6.168 -13.304 1.00 11.22 O ATOM 2316 OD2 ASP A 156 5.147 5.068 -11.828 1.00 10.64 O1- ATOM 0 H ASP A 156 6.405 5.479 -15.533 1.00 10.31 H new ATOM 0 HA ASP A 156 5.259 2.830 -15.414 1.00 9.81 H new ATOM 0 HB2 ASP A 156 5.700 2.985 -13.065 1.00 10.26 H new ATOM 0 HB3 ASP A 156 7.077 3.702 -13.878 1.00 10.26 H new ATOM 2321 N SER A 157 3.372 5.346 -15.280 1.00 10.26 N ATOM 2322 CA SER A 157 2.017 5.835 -15.074 1.00 10.38 C ATOM 2323 C SER A 157 0.992 4.825 -15.586 1.00 9.63 C ATOM 2324 O SER A 157 -0.010 4.550 -14.929 1.00 9.37 O ATOM 2325 CB SER A 157 1.844 7.180 -15.777 1.00 11.42 C ATOM 2326 OG SER A 157 2.945 8.035 -15.505 1.00 11.90 O ATOM 0 H SER A 157 3.949 5.939 -15.877 1.00 10.26 H new ATOM 0 HA SER A 157 1.850 5.968 -14.005 1.00 10.38 H new ATOM 0 HB2 SER A 157 1.755 7.025 -16.852 1.00 11.42 H new ATOM 0 HB3 SER A 157 0.920 7.653 -15.445 1.00 11.42 H new ATOM 0 HG SER A 157 2.816 8.891 -15.965 1.00 11.90 H new ATOM 2332 N GLU A 158 1.260 4.259 -16.751 1.00 9.47 N ATOM 2333 CA GLU A 158 0.401 3.224 -17.305 1.00 9.00 C ATOM 2334 C GLU A 158 0.669 1.899 -16.602 1.00 8.03 C ATOM 2335 O GLU A 158 -0.211 1.050 -16.474 1.00 7.69 O ATOM 2336 CB GLU A 158 0.641 3.081 -18.809 1.00 9.38 C ATOM 2337 CG GLU A 158 0.264 4.318 -19.605 1.00 10.19 C ATOM 2338 CD GLU A 158 0.403 4.112 -21.097 1.00 10.79 C ATOM 2339 OE1 GLU A 158 -0.223 3.173 -21.630 1.00 11.06 O ATOM 2340 OE2 GLU A 158 1.108 4.908 -21.752 1.00 11.17 O1- ATOM 0 H GLU A 158 2.064 4.498 -17.331 1.00 9.47 H new ATOM 0 HA GLU A 158 -0.639 3.507 -17.146 1.00 9.00 H new ATOM 0 HB2 GLU A 158 1.694 2.855 -18.981 1.00 9.38 H new ATOM 0 HB3 GLU A 158 0.068 2.231 -19.181 1.00 9.38 H new ATOM 0 HG2 GLU A 158 -0.765 4.595 -19.374 1.00 10.19 H new ATOM 0 HG3 GLU A 158 0.895 5.151 -19.296 1.00 10.19 H new ATOM 2347 N ALA A 159 1.900 1.755 -16.126 1.00 7.82 N ATOM 2348 CA ALA A 159 2.369 0.511 -15.533 1.00 7.20 C ATOM 2349 C ALA A 159 1.794 0.291 -14.140 1.00 7.12 C ATOM 2350 O ALA A 159 1.675 -0.844 -13.688 1.00 6.81 O ATOM 2351 CB ALA A 159 3.886 0.507 -15.477 1.00 7.44 C ATOM 0 H ALA A 159 2.600 2.497 -16.141 1.00 7.82 H new ATOM 0 HA ALA A 159 2.022 -0.308 -16.163 1.00 7.20 H new ATOM 0 HB1 ALA A 159 4.231 -0.426 -15.032 1.00 7.44 H new ATOM 0 HB2 ALA A 159 4.288 0.598 -16.486 1.00 7.44 H new ATOM 0 HB3 ALA A 159 4.230 1.346 -14.872 1.00 7.44 H new ATOM 2357 N SER A 160 1.468 1.375 -13.453 1.00 7.72 N ATOM 2358 CA SER A 160 0.881 1.286 -12.127 1.00 8.04 C ATOM 2359 C SER A 160 -0.618 1.017 -12.215 1.00 7.99 C ATOM 2360 O SER A 160 -1.170 0.251 -11.428 1.00 8.08 O ATOM 2361 CB SER A 160 1.155 2.576 -11.353 1.00 8.99 C ATOM 2362 OG SER A 160 0.800 3.714 -12.116 1.00 9.64 O ATOM 0 H SER A 160 1.601 2.327 -13.793 1.00 7.72 H new ATOM 0 HA SER A 160 1.338 0.452 -11.595 1.00 8.04 H new ATOM 0 HB2 SER A 160 0.592 2.570 -10.420 1.00 8.99 H new ATOM 0 HB3 SER A 160 2.211 2.627 -11.088 1.00 8.99 H new ATOM 0 HG SER A 160 1.522 3.924 -12.745 1.00 9.64 H new ATOM 2368 N LEU A 161 -1.262 1.648 -13.190 1.00 8.10 N ATOM 2369 CA LEU A 161 -2.695 1.501 -13.390 1.00 8.40 C ATOM 2370 C LEU A 161 -3.033 0.128 -13.960 1.00 7.89 C ATOM 2371 O LEU A 161 -4.138 -0.384 -13.767 1.00 8.18 O ATOM 2372 CB LEU A 161 -3.205 2.598 -14.326 1.00 9.04 C ATOM 2373 CG LEU A 161 -3.030 4.032 -13.813 1.00 9.80 C ATOM 2374 CD1 LEU A 161 -3.443 5.033 -14.880 1.00 10.57 C ATOM 2375 CD2 LEU A 161 -3.838 4.248 -12.541 1.00 10.37 C ATOM 0 H LEU A 161 -0.808 2.271 -13.858 1.00 8.10 H new ATOM 0 HA LEU A 161 -3.186 1.595 -12.421 1.00 8.40 H new ATOM 0 HB2 LEU A 161 -2.689 2.506 -15.282 1.00 9.04 H new ATOM 0 HB3 LEU A 161 -4.264 2.425 -14.518 1.00 9.04 H new ATOM 0 HG LEU A 161 -1.976 4.187 -13.582 1.00 9.80 H new ATOM 0 HD11 LEU A 161 -3.312 6.046 -14.499 1.00 10.57 H new ATOM 0 HD12 LEU A 161 -2.824 4.896 -15.766 1.00 10.57 H new ATOM 0 HD13 LEU A 161 -4.490 4.876 -15.141 1.00 10.57 H new ATOM 0 HD21 LEU A 161 -3.701 5.272 -12.192 1.00 10.37 H new ATOM 0 HD22 LEU A 161 -4.894 4.073 -12.747 1.00 10.37 H new ATOM 0 HD23 LEU A 161 -3.498 3.554 -11.772 1.00 10.37 H new ATOM 2387 N ARG A 162 -2.082 -0.458 -14.667 1.00 7.38 N ATOM 2388 CA ARG A 162 -2.248 -1.777 -15.239 1.00 7.17 C ATOM 2389 C ARG A 162 -1.675 -2.831 -14.299 1.00 6.87 C ATOM 2390 O ARG A 162 -0.899 -2.534 -13.392 1.00 6.95 O ATOM 2391 CB ARG A 162 -1.506 -1.840 -16.571 1.00 7.15 C ATOM 2392 CG ARG A 162 -0.033 -2.176 -16.429 1.00 7.34 C ATOM 2393 CD ARG A 162 0.667 -2.233 -17.774 1.00 7.40 C ATOM 2394 NE ARG A 162 0.176 -3.344 -18.585 1.00 7.84 N ATOM 2395 CZ ARG A 162 0.958 -4.223 -19.207 1.00 8.24 C ATOM 2396 NH1 ARG A 162 2.281 -4.112 -19.143 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 0.413 -5.218 -19.890 1.00 8.90 N ATOM 0 H ARG A 162 -1.176 -0.031 -14.859 1.00 7.38 H new ATOM 0 HA ARG A 162 -3.310 -1.971 -15.390 1.00 7.17 H new ATOM 0 HB2 ARG A 162 -1.981 -2.587 -17.207 1.00 7.15 H new ATOM 0 HB3 ARG A 162 -1.604 -0.880 -17.078 1.00 7.15 H new ATOM 0 HG2 ARG A 162 0.451 -1.429 -15.800 1.00 7.34 H new ATOM 0 HG3 ARG A 162 0.073 -3.136 -15.924 1.00 7.34 H new ATOM 0 HD2 ARG A 162 0.511 -1.295 -18.307 1.00 7.40 H new ATOM 0 HD3 ARG A 162 1.741 -2.338 -17.622 1.00 7.40 H new ATOM 0 HE ARG A 162 -0.834 -3.453 -18.681 1.00 7.84 H new ATOM 0 HH11 ARG A 162 2.704 -3.349 -18.614 1.00 8.25 H new ATOM 0 HH12 ARG A 162 2.873 -4.790 -19.623 1.00 8.25 H new ATOM 0 HH21 ARG A 162 -0.602 -5.308 -19.938 1.00 8.90 H new ATOM 0 HH22 ARG A 162 1.008 -5.894 -20.368 1.00 8.90 H new ATOM 2411 N GLY A 163 -2.098 -4.064 -14.524 1.00 6.89 N ATOM 2412 CA GLY A 163 -1.497 -5.199 -13.867 1.00 7.01 C ATOM 2413 C GLY A 163 -0.797 -6.063 -14.887 1.00 6.68 C ATOM 2414 O GLY A 163 0.426 -6.124 -14.925 1.00 7.15 O ATOM 0 H GLY A 163 -2.859 -4.299 -15.161 1.00 6.89 H new ATOM 0 HA2 GLY A 163 -0.786 -4.861 -13.113 1.00 7.01 H new ATOM 0 HA3 GLY A 163 -2.261 -5.778 -13.348 1.00 7.01 H new ATOM 2418 N THR A 164 -1.586 -6.725 -15.720 1.00 6.17 N ATOM 2419 CA THR A 164 -1.070 -7.436 -16.879 1.00 6.16 C ATOM 2420 C THR A 164 -2.068 -7.340 -18.030 1.00 6.65 C ATOM 2421 O THR A 164 -1.743 -6.869 -19.122 1.00 7.09 O ATOM 2422 CB THR A 164 -0.809 -8.923 -16.566 1.00 6.38 C ATOM 2423 OG1 THR A 164 -1.955 -9.480 -15.925 1.00 6.86 O ATOM 2424 CG2 THR A 164 0.399 -9.097 -15.666 1.00 6.23 C ATOM 0 H THR A 164 -2.599 -6.784 -15.612 1.00 6.17 H new ATOM 0 HA THR A 164 -0.124 -6.971 -17.156 1.00 6.16 H new ATOM 0 HB THR A 164 -0.612 -9.437 -17.507 1.00 6.38 H new ATOM 0 HG1 THR A 164 -1.792 -10.426 -15.727 1.00 6.86 H new ATOM 0 HG21 THR A 164 0.554 -10.157 -15.466 1.00 6.23 H new ATOM 0 HG22 THR A 164 1.281 -8.688 -16.158 1.00 6.23 H new ATOM 0 HG23 THR A 164 0.231 -8.571 -14.726 1.00 6.23 H new ATOM 2432 N VAL A 165 -3.293 -7.777 -17.765 1.00 6.89 N ATOM 2433 CA VAL A 165 -4.359 -7.720 -18.751 1.00 7.69 C ATOM 2434 C VAL A 165 -5.067 -6.372 -18.678 1.00 7.93 C ATOM 2435 O VAL A 165 -4.914 -5.542 -19.575 1.00 8.39 O ATOM 2436 CB VAL A 165 -5.388 -8.854 -18.536 1.00 8.39 C ATOM 2437 CG1 VAL A 165 -6.445 -8.844 -19.632 1.00 9.20 C ATOM 2438 CG2 VAL A 165 -4.690 -10.204 -18.476 1.00 8.56 C ATOM 0 H VAL A 165 -3.571 -8.177 -16.869 1.00 6.89 H new ATOM 0 HA VAL A 165 -3.908 -7.847 -19.735 1.00 7.69 H new ATOM 0 HB VAL A 165 -5.888 -8.682 -17.583 1.00 8.39 H new ATOM 0 HG11 VAL A 165 -7.157 -9.651 -19.458 1.00 9.20 H new ATOM 0 HG12 VAL A 165 -6.970 -7.889 -19.623 1.00 9.20 H new ATOM 0 HG13 VAL A 165 -5.966 -8.985 -20.601 1.00 9.20 H new ATOM 0 HG21 VAL A 165 -5.430 -10.990 -18.324 1.00 8.56 H new ATOM 0 HG22 VAL A 165 -4.159 -10.381 -19.411 1.00 8.56 H new ATOM 0 HG23 VAL A 165 -3.980 -10.210 -17.649 1.00 8.56 H new ATOM 2448 N ALA A 166 -5.816 -6.165 -17.592 1.00 7.88 N ATOM 2449 CA ALA A 166 -6.548 -4.922 -17.342 1.00 8.33 C ATOM 2450 C ALA A 166 -7.735 -4.762 -18.287 1.00 8.94 C ATOM 2451 O ALA A 166 -7.620 -4.951 -19.503 1.00 9.11 O ATOM 2452 CB ALA A 166 -5.630 -3.707 -17.437 1.00 8.31 C ATOM 0 H ALA A 166 -5.932 -6.861 -16.856 1.00 7.88 H new ATOM 0 HA ALA A 166 -6.934 -4.984 -16.325 1.00 8.33 H new ATOM 0 HB1 ALA A 166 -6.205 -2.801 -17.246 1.00 8.31 H new ATOM 0 HB2 ALA A 166 -4.834 -3.794 -16.698 1.00 8.31 H new ATOM 0 HB3 ALA A 166 -5.195 -3.657 -18.435 1.00 8.31 H new