USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 986 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 Single : A 45 LYS NZ :NH3+ -142:sc= 0.523 (180deg=-0.0369) USER MOD Single : A 48 MET CE :methyl -165:sc= -1.15 (180deg=-2.01) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -40:sc= 0.931 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.557) USER MOD Single : A 75 SER OG : rot 180:sc= -1.77 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 1 K(o=1,f=-0.53) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -115:sc= -0.265 (180deg=-0.365) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.158 F(o=-2!,f=-0.16) USER MOD Single : A 96 ASN :FLIP amide:sc= -1.84 F(o=-2.5!,f=-1.8) USER MOD Single : B 45 LYS NZ :NH3+ -143:sc= 0.536 (180deg=-0.0382) USER MOD Single : B 48 MET CE :methyl -165:sc= -0.899 (180deg=-1.81) USER MOD Single : B 58 THR OG1 : rot 180:sc= -0.0897 USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 THR OG1 : rot -43:sc= 0.92 USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.508) USER MOD Single : B 75 SER OG : rot 180:sc= -1.68 USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN : amide:sc= 1.06 K(o=1.1,f=-0.59) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl -115:sc= -0.245 (180deg=-0.322) USER MOD Single : B 93 ASN :FLIP amide:sc= -0.0639 F(o=-0.91,f=-0.064) USER MOD Single : B 96 ASN :FLIP amide:sc= -1.78 F(o=-2.4!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 357 N PRO A 43 -2.327 -17.874 -8.064 1.00 0.39 N ATOM 358 CA PRO A 43 -1.772 -17.297 -6.821 1.00 0.37 C ATOM 359 C PRO A 43 -2.588 -16.076 -6.392 1.00 0.35 C ATOM 360 O PRO A 43 -2.954 -15.935 -5.240 1.00 0.37 O ATOM 361 CB PRO A 43 -0.362 -16.882 -7.222 1.00 0.42 C ATOM 362 CG PRO A 43 -0.416 -16.653 -8.702 1.00 0.45 C ATOM 363 CD PRO A 43 -1.601 -17.411 -9.252 1.00 0.47 C ATOM 0 HA PRO A 43 -1.789 -17.991 -5.981 1.00 0.37 H new ATOM 0 HB2 PRO A 43 -0.055 -15.978 -6.696 1.00 0.42 H new ATOM 0 HB3 PRO A 43 0.361 -17.658 -6.971 1.00 0.42 H new ATOM 0 HG2 PRO A 43 -0.511 -15.589 -8.919 1.00 0.45 H new ATOM 0 HG3 PRO A 43 0.506 -16.994 -9.174 1.00 0.45 H new ATOM 0 HD2 PRO A 43 -2.226 -16.771 -9.875 1.00 0.47 H new ATOM 0 HD3 PRO A 43 -1.283 -18.248 -9.873 1.00 0.47 H new ATOM 371 N LEU A 44 -2.862 -15.189 -7.318 1.00 0.35 N ATOM 372 CA LEU A 44 -3.642 -13.954 -6.995 1.00 0.35 C ATOM 373 C LEU A 44 -2.994 -13.201 -5.833 1.00 0.41 C ATOM 374 O LEU A 44 -3.642 -12.467 -5.110 1.00 0.83 O ATOM 375 CB LEU A 44 -5.040 -14.429 -6.611 1.00 0.42 C ATOM 376 CG LEU A 44 -6.031 -13.304 -6.906 1.00 0.56 C ATOM 377 CD1 LEU A 44 -7.289 -13.876 -7.569 1.00 0.68 C ATOM 378 CD2 LEU A 44 -6.413 -12.597 -5.601 1.00 0.76 C ATOM 0 H LEU A 44 -2.575 -15.269 -8.294 1.00 0.35 H new ATOM 0 HA LEU A 44 -3.673 -13.268 -7.842 1.00 0.35 H new ATOM 0 HB2 LEU A 44 -5.304 -15.324 -7.174 1.00 0.42 H new ATOM 0 HB3 LEU A 44 -5.073 -14.696 -5.555 1.00 0.42 H new ATOM 0 HG LEU A 44 -5.565 -12.588 -7.583 1.00 0.56 H new ATOM 0 HD11 LEU A 44 -7.991 -13.068 -7.776 1.00 0.68 H new ATOM 0 HD12 LEU A 44 -7.016 -14.368 -8.503 1.00 0.68 H new ATOM 0 HD13 LEU A 44 -7.756 -14.599 -6.900 1.00 0.68 H new ATOM 0 HD21 LEU A 44 -7.120 -11.795 -5.815 1.00 0.76 H new ATOM 0 HD22 LEU A 44 -6.872 -13.314 -4.920 1.00 0.76 H new ATOM 0 HD23 LEU A 44 -5.519 -12.179 -5.139 1.00 0.76 H new ATOM 390 N LYS A 45 -1.715 -13.376 -5.663 1.00 0.33 N ATOM 391 CA LYS A 45 -0.991 -12.676 -4.562 1.00 0.31 C ATOM 392 C LYS A 45 -0.198 -11.502 -5.141 1.00 0.27 C ATOM 393 O LYS A 45 -0.042 -10.481 -4.508 1.00 0.31 O ATOM 394 CB LYS A 45 -0.062 -13.732 -3.951 1.00 0.35 C ATOM 395 CG LYS A 45 0.985 -14.175 -4.979 1.00 0.42 C ATOM 396 CD LYS A 45 1.524 -15.557 -4.599 1.00 0.44 C ATOM 397 CE LYS A 45 2.242 -15.475 -3.250 1.00 0.49 C ATOM 398 NZ LYS A 45 2.923 -16.791 -3.097 1.00 0.50 N ATOM 0 H LYS A 45 -1.133 -13.979 -6.244 1.00 0.33 H new ATOM 0 HA LYS A 45 -1.662 -12.265 -3.808 1.00 0.31 H new ATOM 0 HB2 LYS A 45 0.433 -13.325 -3.069 1.00 0.35 H new ATOM 0 HB3 LYS A 45 -0.645 -14.592 -3.621 1.00 0.35 H new ATOM 0 HG2 LYS A 45 0.542 -14.207 -5.974 1.00 0.42 H new ATOM 0 HG3 LYS A 45 1.801 -13.453 -5.017 1.00 0.42 H new ATOM 0 HD2 LYS A 45 0.706 -16.275 -4.544 1.00 0.44 H new ATOM 0 HD3 LYS A 45 2.210 -15.914 -5.367 1.00 0.44 H new ATOM 0 HE2 LYS A 45 2.960 -14.655 -3.234 1.00 0.49 H new ATOM 0 HE3 LYS A 45 1.537 -15.298 -2.438 1.00 0.49 H new ATOM 0 HZ1 LYS A 45 2.873 -17.095 -2.104 1.00 0.50 H new ATOM 0 HZ2 LYS A 45 2.453 -17.497 -3.699 1.00 0.50 H new ATOM 0 HZ3 LYS A 45 3.919 -16.701 -3.382 1.00 0.50 H new ATOM 412 N LEU A 46 0.292 -11.658 -6.349 1.00 0.28 N ATOM 413 CA LEU A 46 1.075 -10.575 -7.034 1.00 0.29 C ATOM 414 C LEU A 46 0.535 -9.177 -6.683 1.00 0.28 C ATOM 415 O LEU A 46 1.291 -8.252 -6.441 1.00 0.32 O ATOM 416 CB LEU A 46 0.865 -10.848 -8.531 1.00 0.31 C ATOM 417 CG LEU A 46 2.212 -11.008 -9.246 1.00 0.37 C ATOM 418 CD1 LEU A 46 3.065 -9.751 -9.050 1.00 0.47 C ATOM 419 CD2 LEU A 46 2.948 -12.226 -8.681 1.00 0.41 C ATOM 0 H LEU A 46 0.180 -12.508 -6.901 1.00 0.28 H new ATOM 0 HA LEU A 46 2.122 -10.585 -6.733 1.00 0.29 H new ATOM 0 HB2 LEU A 46 0.269 -11.751 -8.661 1.00 0.31 H new ATOM 0 HB3 LEU A 46 0.304 -10.028 -8.980 1.00 0.31 H new ATOM 0 HG LEU A 46 2.036 -11.151 -10.312 1.00 0.37 H new ATOM 0 HD11 LEU A 46 4.019 -9.875 -9.562 1.00 0.47 H new ATOM 0 HD12 LEU A 46 2.542 -8.888 -9.462 1.00 0.47 H new ATOM 0 HD13 LEU A 46 3.242 -9.594 -7.986 1.00 0.47 H new ATOM 0 HD21 LEU A 46 3.906 -12.340 -9.189 1.00 0.41 H new ATOM 0 HD22 LEU A 46 3.118 -12.086 -7.614 1.00 0.41 H new ATOM 0 HD23 LEU A 46 2.345 -13.120 -8.838 1.00 0.41 H new ATOM 431 N PHE A 47 -0.767 -9.027 -6.645 1.00 0.28 N ATOM 432 CA PHE A 47 -1.363 -7.701 -6.311 1.00 0.31 C ATOM 433 C PHE A 47 -1.304 -7.492 -4.805 1.00 0.29 C ATOM 434 O PHE A 47 -0.880 -6.458 -4.323 1.00 0.32 O ATOM 435 CB PHE A 47 -2.817 -7.786 -6.794 1.00 0.35 C ATOM 436 CG PHE A 47 -3.638 -6.699 -6.138 1.00 0.35 C ATOM 437 CD1 PHE A 47 -3.195 -5.373 -6.175 1.00 0.40 C ATOM 438 CD2 PHE A 47 -4.835 -7.020 -5.486 1.00 0.40 C ATOM 439 CE1 PHE A 47 -3.950 -4.367 -5.562 1.00 0.45 C ATOM 440 CE2 PHE A 47 -5.589 -6.013 -4.871 1.00 0.45 C ATOM 441 CZ PHE A 47 -5.146 -4.686 -4.910 1.00 0.46 C ATOM 0 H PHE A 47 -1.442 -9.769 -6.832 1.00 0.28 H new ATOM 0 HA PHE A 47 -0.837 -6.868 -6.777 1.00 0.31 H new ATOM 0 HB2 PHE A 47 -2.857 -7.680 -7.878 1.00 0.35 H new ATOM 0 HB3 PHE A 47 -3.233 -8.764 -6.554 1.00 0.35 H new ATOM 0 HD1 PHE A 47 -2.271 -5.126 -6.676 1.00 0.40 H new ATOM 0 HD2 PHE A 47 -5.177 -8.044 -5.457 1.00 0.40 H new ATOM 0 HE1 PHE A 47 -3.609 -3.343 -5.592 1.00 0.45 H new ATOM 0 HE2 PHE A 47 -6.512 -6.260 -4.367 1.00 0.45 H new ATOM 0 HZ PHE A 47 -5.727 -3.908 -4.437 1.00 0.46 H new ATOM 451 N MET A 48 -1.726 -8.479 -4.066 1.00 0.29 N ATOM 452 CA MET A 48 -1.702 -8.380 -2.583 1.00 0.30 C ATOM 453 C MET A 48 -0.283 -8.073 -2.106 1.00 0.29 C ATOM 454 O MET A 48 -0.062 -7.146 -1.356 1.00 0.34 O ATOM 455 CB MET A 48 -2.147 -9.758 -2.099 1.00 0.34 C ATOM 456 CG MET A 48 -3.065 -9.599 -0.891 1.00 0.40 C ATOM 457 SD MET A 48 -4.772 -9.977 -1.360 1.00 0.48 S ATOM 458 CE MET A 48 -4.904 -8.784 -2.713 1.00 0.44 C ATOM 0 H MET A 48 -2.090 -9.359 -4.431 1.00 0.29 H new ATOM 0 HA MET A 48 -2.344 -7.586 -2.202 1.00 0.30 H new ATOM 0 HB2 MET A 48 -2.668 -10.286 -2.898 1.00 0.34 H new ATOM 0 HB3 MET A 48 -1.278 -10.360 -1.833 1.00 0.34 H new ATOM 0 HG2 MET A 48 -2.743 -10.263 -0.089 1.00 0.40 H new ATOM 0 HG3 MET A 48 -3.001 -8.581 -0.506 1.00 0.40 H new ATOM 0 HE1 MET A 48 -5.952 -8.651 -2.980 1.00 0.44 H new ATOM 0 HE2 MET A 48 -4.486 -7.828 -2.397 1.00 0.44 H new ATOM 0 HE3 MET A 48 -4.353 -9.153 -3.578 1.00 0.44 H new ATOM 468 N ALA A 49 0.674 -8.846 -2.546 1.00 0.29 N ATOM 469 CA ALA A 49 2.089 -8.611 -2.134 1.00 0.33 C ATOM 470 C ALA A 49 2.531 -7.201 -2.535 1.00 0.33 C ATOM 471 O ALA A 49 3.138 -6.491 -1.755 1.00 0.40 O ATOM 472 CB ALA A 49 2.903 -9.665 -2.888 1.00 0.38 C ATOM 0 H ALA A 49 0.535 -9.635 -3.177 1.00 0.29 H new ATOM 0 HA ALA A 49 2.223 -8.689 -1.055 1.00 0.33 H new ATOM 0 HB1 ALA A 49 3.958 -9.558 -2.637 1.00 0.38 H new ATOM 0 HB2 ALA A 49 2.562 -10.660 -2.603 1.00 0.38 H new ATOM 0 HB3 ALA A 49 2.769 -9.529 -3.961 1.00 0.38 H new ATOM 478 N LEU A 50 2.237 -6.790 -3.746 1.00 0.32 N ATOM 479 CA LEU A 50 2.650 -5.423 -4.190 1.00 0.34 C ATOM 480 C LEU A 50 2.021 -4.350 -3.292 1.00 0.31 C ATOM 481 O LEU A 50 2.719 -3.592 -2.642 1.00 0.33 O ATOM 482 CB LEU A 50 2.143 -5.288 -5.625 1.00 0.40 C ATOM 483 CG LEU A 50 2.848 -4.109 -6.300 1.00 0.60 C ATOM 484 CD1 LEU A 50 4.349 -4.394 -6.393 1.00 0.98 C ATOM 485 CD2 LEU A 50 2.277 -3.912 -7.706 1.00 0.76 C ATOM 0 H LEU A 50 1.732 -7.339 -4.441 1.00 0.32 H new ATOM 0 HA LEU A 50 3.730 -5.289 -4.130 1.00 0.34 H new ATOM 0 HB2 LEU A 50 2.335 -6.207 -6.179 1.00 0.40 H new ATOM 0 HB3 LEU A 50 1.064 -5.133 -5.629 1.00 0.40 H new ATOM 0 HG LEU A 50 2.688 -3.205 -5.712 1.00 0.60 H new ATOM 0 HD11 LEU A 50 4.850 -3.554 -6.874 1.00 0.98 H new ATOM 0 HD12 LEU A 50 4.756 -4.534 -5.391 1.00 0.98 H new ATOM 0 HD13 LEU A 50 4.512 -5.298 -6.980 1.00 0.98 H new ATOM 0 HD21 LEU A 50 2.778 -3.073 -8.188 1.00 0.76 H new ATOM 0 HD22 LEU A 50 2.437 -4.816 -8.294 1.00 0.76 H new ATOM 0 HD23 LEU A 50 1.209 -3.707 -7.639 1.00 0.76 H new ATOM 497 N VAL A 51 0.711 -4.274 -3.249 1.00 0.29 N ATOM 498 CA VAL A 51 0.054 -3.246 -2.393 1.00 0.29 C ATOM 499 C VAL A 51 0.453 -3.464 -0.926 1.00 0.27 C ATOM 500 O VAL A 51 0.606 -2.520 -0.176 1.00 0.29 O ATOM 501 CB VAL A 51 -1.455 -3.435 -2.620 1.00 0.32 C ATOM 502 CG1 VAL A 51 -2.245 -2.833 -1.459 1.00 0.40 C ATOM 503 CG2 VAL A 51 -1.859 -2.732 -3.920 1.00 0.45 C ATOM 0 H VAL A 51 0.075 -4.878 -3.769 1.00 0.29 H new ATOM 0 HA VAL A 51 0.353 -2.228 -2.642 1.00 0.29 H new ATOM 0 HB VAL A 51 -1.674 -4.501 -2.684 1.00 0.32 H new ATOM 0 HG11 VAL A 51 -3.312 -2.974 -1.633 1.00 0.40 H new ATOM 0 HG12 VAL A 51 -1.960 -3.327 -0.530 1.00 0.40 H new ATOM 0 HG13 VAL A 51 -2.027 -1.768 -1.384 1.00 0.40 H new ATOM 0 HG21 VAL A 51 -2.928 -2.862 -4.087 1.00 0.45 H new ATOM 0 HG22 VAL A 51 -1.630 -1.669 -3.845 1.00 0.45 H new ATOM 0 HG23 VAL A 51 -1.306 -3.164 -4.754 1.00 0.45 H new ATOM 513 N ALA A 52 0.642 -4.698 -0.520 1.00 0.27 N ATOM 514 CA ALA A 52 1.053 -4.969 0.893 1.00 0.28 C ATOM 515 C ALA A 52 2.435 -4.367 1.144 1.00 0.27 C ATOM 516 O ALA A 52 2.659 -3.700 2.138 1.00 0.32 O ATOM 517 CB ALA A 52 1.104 -6.492 1.025 1.00 0.32 C ATOM 0 H ALA A 52 0.530 -5.526 -1.105 1.00 0.27 H new ATOM 0 HA ALA A 52 0.363 -4.531 1.615 1.00 0.28 H new ATOM 0 HB1 ALA A 52 1.400 -6.760 2.039 1.00 0.32 H new ATOM 0 HB2 ALA A 52 0.120 -6.909 0.812 1.00 0.32 H new ATOM 0 HB3 ALA A 52 1.829 -6.894 0.318 1.00 0.32 H new ATOM 523 N PHE A 53 3.358 -4.584 0.234 1.00 0.27 N ATOM 524 CA PHE A 53 4.731 -4.010 0.391 1.00 0.28 C ATOM 525 C PHE A 53 4.610 -2.503 0.625 1.00 0.26 C ATOM 526 O PHE A 53 5.074 -1.972 1.621 1.00 0.29 O ATOM 527 CB PHE A 53 5.435 -4.307 -0.938 1.00 0.30 C ATOM 528 CG PHE A 53 6.779 -3.616 -0.977 1.00 0.29 C ATOM 529 CD1 PHE A 53 7.715 -3.845 0.037 1.00 0.37 C ATOM 530 CD2 PHE A 53 7.086 -2.747 -2.031 1.00 0.43 C ATOM 531 CE1 PHE A 53 8.959 -3.204 -0.002 1.00 0.41 C ATOM 532 CE2 PHE A 53 8.330 -2.107 -2.070 1.00 0.49 C ATOM 533 CZ PHE A 53 9.266 -2.335 -1.055 1.00 0.41 C ATOM 0 H PHE A 53 3.217 -5.136 -0.612 1.00 0.27 H new ATOM 0 HA PHE A 53 5.283 -4.429 1.232 1.00 0.28 H new ATOM 0 HB2 PHE A 53 5.566 -5.383 -1.057 1.00 0.30 H new ATOM 0 HB3 PHE A 53 4.818 -3.967 -1.770 1.00 0.30 H new ATOM 0 HD1 PHE A 53 7.478 -4.516 0.850 1.00 0.37 H new ATOM 0 HD2 PHE A 53 6.363 -2.571 -2.814 1.00 0.43 H new ATOM 0 HE1 PHE A 53 9.682 -3.380 0.781 1.00 0.41 H new ATOM 0 HE2 PHE A 53 8.568 -1.437 -2.883 1.00 0.49 H new ATOM 0 HZ PHE A 53 10.226 -1.840 -1.084 1.00 0.41 H new ATOM 543 N LEU A 54 3.951 -1.817 -0.271 1.00 0.26 N ATOM 544 CA LEU A 54 3.760 -0.354 -0.087 1.00 0.26 C ATOM 545 C LEU A 54 3.020 -0.121 1.234 1.00 0.24 C ATOM 546 O LEU A 54 3.294 0.819 1.952 1.00 0.27 O ATOM 547 CB LEU A 54 2.913 0.093 -1.281 1.00 0.29 C ATOM 548 CG LEU A 54 3.824 0.476 -2.454 1.00 0.33 C ATOM 549 CD1 LEU A 54 4.717 1.651 -2.052 1.00 0.42 C ATOM 550 CD2 LEU A 54 4.699 -0.720 -2.839 1.00 0.44 C ATOM 0 H LEU A 54 3.539 -2.207 -1.119 1.00 0.26 H new ATOM 0 HA LEU A 54 4.696 0.203 -0.044 1.00 0.26 H new ATOM 0 HB2 LEU A 54 2.239 -0.709 -1.580 1.00 0.29 H new ATOM 0 HB3 LEU A 54 2.292 0.943 -0.999 1.00 0.29 H new ATOM 0 HG LEU A 54 3.208 0.764 -3.306 1.00 0.33 H new ATOM 0 HD11 LEU A 54 5.363 1.920 -2.888 1.00 0.42 H new ATOM 0 HD12 LEU A 54 4.095 2.505 -1.784 1.00 0.42 H new ATOM 0 HD13 LEU A 54 5.330 1.366 -1.197 1.00 0.42 H new ATOM 0 HD21 LEU A 54 5.345 -0.445 -3.673 1.00 0.44 H new ATOM 0 HD22 LEU A 54 5.312 -1.012 -1.986 1.00 0.44 H new ATOM 0 HD23 LEU A 54 4.064 -1.556 -3.133 1.00 0.44 H new ATOM 562 N ARG A 55 2.101 -0.999 1.564 1.00 0.24 N ATOM 563 CA ARG A 55 1.346 -0.861 2.847 1.00 0.25 C ATOM 564 C ARG A 55 2.257 -1.186 4.038 1.00 0.25 C ATOM 565 O ARG A 55 1.901 -0.964 5.180 1.00 0.33 O ATOM 566 CB ARG A 55 0.200 -1.872 2.755 1.00 0.28 C ATOM 567 CG ARG A 55 -0.856 -1.547 3.815 1.00 0.46 C ATOM 568 CD ARG A 55 -0.690 -2.485 5.012 1.00 0.74 C ATOM 569 NE ARG A 55 -1.230 -1.724 6.173 1.00 0.55 N ATOM 570 CZ ARG A 55 -0.674 -1.842 7.347 1.00 0.58 C ATOM 571 NH1 ARG A 55 0.462 -1.248 7.594 1.00 0.52 N ATOM 572 NH2 ARG A 55 -1.253 -2.553 8.275 1.00 0.84 N ATOM 0 H ARG A 55 1.842 -1.806 0.997 1.00 0.24 H new ATOM 0 HA ARG A 55 0.977 0.154 2.996 1.00 0.25 H new ATOM 0 HB2 ARG A 55 -0.246 -1.842 1.761 1.00 0.28 H new ATOM 0 HB3 ARG A 55 0.580 -2.883 2.903 1.00 0.28 H new ATOM 0 HG2 ARG A 55 -0.756 -0.510 4.136 1.00 0.46 H new ATOM 0 HG3 ARG A 55 -1.855 -1.654 3.392 1.00 0.46 H new ATOM 0 HD2 ARG A 55 -1.235 -3.417 4.862 1.00 0.74 H new ATOM 0 HD3 ARG A 55 0.356 -2.749 5.165 1.00 0.74 H new ATOM 0 HE ARG A 55 -2.035 -1.110 6.050 1.00 0.55 H new ATOM 0 HH11 ARG A 55 0.915 -0.692 6.869 1.00 0.52 H new ATOM 0 HH12 ARG A 55 0.897 -1.340 8.512 1.00 0.52 H new ATOM 0 HH21 ARG A 55 -2.141 -3.017 8.083 1.00 0.84 H new ATOM 0 HH22 ARG A 55 -0.818 -2.645 9.193 1.00 0.84 H new ATOM 586 N PHE A 56 3.430 -1.704 3.782 1.00 0.26 N ATOM 587 CA PHE A 56 4.363 -2.030 4.899 1.00 0.30 C ATOM 588 C PHE A 56 5.360 -0.889 5.100 1.00 0.28 C ATOM 589 O PHE A 56 5.954 -0.756 6.154 1.00 0.35 O ATOM 590 CB PHE A 56 5.107 -3.293 4.455 1.00 0.37 C ATOM 591 CG PHE A 56 4.224 -4.523 4.577 1.00 0.41 C ATOM 592 CD1 PHE A 56 2.861 -4.414 4.910 1.00 0.45 C ATOM 593 CD2 PHE A 56 4.784 -5.785 4.351 1.00 0.76 C ATOM 594 CE1 PHE A 56 2.072 -5.566 5.013 1.00 0.52 C ATOM 595 CE2 PHE A 56 3.993 -6.935 4.455 1.00 0.97 C ATOM 596 CZ PHE A 56 2.638 -6.826 4.786 1.00 0.78 C ATOM 0 H PHE A 56 3.781 -1.915 2.848 1.00 0.26 H new ATOM 0 HA PHE A 56 3.832 -2.176 5.840 1.00 0.30 H new ATOM 0 HB2 PHE A 56 5.437 -3.180 3.422 1.00 0.37 H new ATOM 0 HB3 PHE A 56 6.002 -3.423 5.063 1.00 0.37 H new ATOM 0 HD1 PHE A 56 2.424 -3.442 5.086 1.00 0.45 H new ATOM 0 HD2 PHE A 56 5.830 -5.872 4.096 1.00 0.76 H new ATOM 0 HE1 PHE A 56 1.026 -5.482 5.268 1.00 0.52 H new ATOM 0 HE2 PHE A 56 4.429 -7.907 4.280 1.00 0.97 H new ATOM 0 HZ PHE A 56 2.029 -7.714 4.866 1.00 0.78 H new ATOM 606 N LEU A 57 5.575 -0.084 4.085 1.00 0.25 N ATOM 607 CA LEU A 57 6.571 1.027 4.215 1.00 0.28 C ATOM 608 C LEU A 57 5.898 2.402 4.362 1.00 0.30 C ATOM 609 O LEU A 57 6.359 3.232 5.123 1.00 0.37 O ATOM 610 CB LEU A 57 7.396 0.972 2.924 1.00 0.34 C ATOM 611 CG LEU A 57 7.766 -0.482 2.595 1.00 0.35 C ATOM 612 CD1 LEU A 57 8.617 -0.524 1.322 1.00 0.49 C ATOM 613 CD2 LEU A 57 8.549 -1.101 3.761 1.00 0.43 C ATOM 0 H LEU A 57 5.108 -0.148 3.180 1.00 0.25 H new ATOM 0 HA LEU A 57 7.178 0.902 5.111 1.00 0.28 H new ATOM 0 HB2 LEU A 57 6.828 1.406 2.101 1.00 0.34 H new ATOM 0 HB3 LEU A 57 8.301 1.569 3.036 1.00 0.34 H new ATOM 0 HG LEU A 57 6.852 -1.054 2.437 1.00 0.35 H new ATOM 0 HD11 LEU A 57 8.877 -1.557 1.092 1.00 0.49 H new ATOM 0 HD12 LEU A 57 8.052 -0.099 0.492 1.00 0.49 H new ATOM 0 HD13 LEU A 57 9.528 0.054 1.474 1.00 0.49 H new ATOM 0 HD21 LEU A 57 8.807 -2.132 3.519 1.00 0.43 H new ATOM 0 HD22 LEU A 57 9.461 -0.529 3.931 1.00 0.43 H new ATOM 0 HD23 LEU A 57 7.936 -1.082 4.662 1.00 0.43 H new ATOM 625 N THR A 58 4.839 2.670 3.633 1.00 0.30 N ATOM 626 CA THR A 58 4.189 4.018 3.742 1.00 0.36 C ATOM 627 C THR A 58 2.660 3.944 3.589 1.00 0.32 C ATOM 628 O THR A 58 1.968 4.920 3.811 1.00 0.38 O ATOM 629 CB THR A 58 4.802 4.824 2.595 1.00 0.45 C ATOM 630 OG1 THR A 58 6.205 4.931 2.792 1.00 0.84 O ATOM 631 CG2 THR A 58 4.183 6.220 2.558 1.00 0.68 C ATOM 0 H THR A 58 4.401 2.024 2.976 1.00 0.30 H new ATOM 0 HA THR A 58 4.359 4.464 4.722 1.00 0.36 H new ATOM 0 HB THR A 58 4.603 4.318 1.650 1.00 0.45 H new ATOM 0 HG1 THR A 58 6.600 5.446 2.058 1.00 0.84 H new ATOM 0 HG21 THR A 58 4.622 6.791 1.740 1.00 0.68 H new ATOM 0 HG22 THR A 58 3.107 6.137 2.406 1.00 0.68 H new ATOM 0 HG23 THR A 58 4.378 6.730 3.502 1.00 0.68 H new ATOM 639 N ILE A 59 2.132 2.807 3.214 1.00 0.28 N ATOM 640 CA ILE A 59 0.651 2.663 3.044 1.00 0.29 C ATOM 641 C ILE A 59 0.076 3.746 2.111 1.00 0.30 C ATOM 642 O ILE A 59 -0.779 4.516 2.508 1.00 0.34 O ATOM 643 CB ILE A 59 0.068 2.788 4.456 1.00 0.33 C ATOM 644 CG1 ILE A 59 0.599 1.653 5.333 1.00 0.34 C ATOM 645 CG2 ILE A 59 -1.463 2.698 4.389 1.00 0.38 C ATOM 646 CD1 ILE A 59 1.972 2.032 5.893 1.00 0.35 C ATOM 0 H ILE A 59 2.668 1.962 3.016 1.00 0.28 H new ATOM 0 HA ILE A 59 0.396 1.710 2.580 1.00 0.29 H new ATOM 0 HB ILE A 59 0.361 3.748 4.882 1.00 0.33 H new ATOM 0 HG12 ILE A 59 -0.096 1.456 6.150 1.00 0.34 H new ATOM 0 HG13 ILE A 59 0.674 0.735 4.750 1.00 0.34 H new ATOM 0 HG21 ILE A 59 -1.877 2.787 5.393 1.00 0.38 H new ATOM 0 HG22 ILE A 59 -1.848 3.505 3.765 1.00 0.38 H new ATOM 0 HG23 ILE A 59 -1.753 1.738 3.961 1.00 0.38 H new ATOM 0 HD11 ILE A 59 2.347 1.221 6.517 1.00 0.35 H new ATOM 0 HD12 ILE A 59 2.665 2.207 5.070 1.00 0.35 H new ATOM 0 HD13 ILE A 59 1.883 2.939 6.491 1.00 0.35 H new ATOM 658 N PRO A 60 0.549 3.757 0.886 1.00 0.32 N ATOM 659 CA PRO A 60 0.067 4.701 -0.136 1.00 0.36 C ATOM 660 C PRO A 60 -0.850 3.961 -1.140 1.00 0.36 C ATOM 661 O PRO A 60 -0.507 3.845 -2.304 1.00 0.41 O ATOM 662 CB PRO A 60 1.377 5.092 -0.821 1.00 0.44 C ATOM 663 CG PRO A 60 2.307 3.919 -0.599 1.00 0.45 C ATOM 664 CD PRO A 60 1.604 2.939 0.319 1.00 0.37 C ATOM 0 HA PRO A 60 -0.508 5.540 0.255 1.00 0.36 H new ATOM 0 HB2 PRO A 60 1.225 5.278 -1.884 1.00 0.44 H new ATOM 0 HB3 PRO A 60 1.788 6.006 -0.393 1.00 0.44 H new ATOM 0 HG2 PRO A 60 2.555 3.443 -1.548 1.00 0.45 H new ATOM 0 HG3 PRO A 60 3.245 4.253 -0.155 1.00 0.45 H new ATOM 0 HD2 PRO A 60 1.207 2.083 -0.226 1.00 0.37 H new ATOM 0 HD3 PRO A 60 2.272 2.547 1.086 1.00 0.37 H new ATOM 672 N PRO A 61 -1.977 3.460 -0.675 1.00 0.34 N ATOM 673 CA PRO A 61 -2.890 2.715 -1.578 1.00 0.38 C ATOM 674 C PRO A 61 -3.547 3.660 -2.583 1.00 0.39 C ATOM 675 O PRO A 61 -4.327 4.521 -2.221 1.00 0.44 O ATOM 676 CB PRO A 61 -3.929 2.114 -0.639 1.00 0.40 C ATOM 677 CG PRO A 61 -3.917 3.004 0.556 1.00 0.39 C ATOM 678 CD PRO A 61 -2.512 3.532 0.690 1.00 0.35 C ATOM 0 HA PRO A 61 -2.373 1.959 -2.168 1.00 0.38 H new ATOM 0 HB2 PRO A 61 -4.915 2.088 -1.104 1.00 0.40 H new ATOM 0 HB3 PRO A 61 -3.675 1.088 -0.372 1.00 0.40 H new ATOM 0 HG2 PRO A 61 -4.628 3.822 0.436 1.00 0.39 H new ATOM 0 HG3 PRO A 61 -4.211 2.455 1.450 1.00 0.39 H new ATOM 0 HD2 PRO A 61 -2.504 4.554 1.069 1.00 0.35 H new ATOM 0 HD3 PRO A 61 -1.923 2.930 1.382 1.00 0.35 H new ATOM 686 N THR A 62 -3.238 3.498 -3.844 1.00 0.38 N ATOM 687 CA THR A 62 -3.842 4.375 -4.889 1.00 0.41 C ATOM 688 C THR A 62 -5.375 4.250 -4.840 1.00 0.38 C ATOM 689 O THR A 62 -5.909 3.370 -4.193 1.00 0.37 O ATOM 690 CB THR A 62 -3.244 3.867 -6.219 1.00 0.42 C ATOM 691 OG1 THR A 62 -2.582 4.941 -6.870 1.00 0.50 O ATOM 692 CG2 THR A 62 -4.331 3.314 -7.145 1.00 0.42 C ATOM 0 H THR A 62 -2.590 2.793 -4.195 1.00 0.38 H new ATOM 0 HA THR A 62 -3.625 5.434 -4.752 1.00 0.41 H new ATOM 0 HB THR A 62 -2.543 3.063 -5.995 1.00 0.42 H new ATOM 0 HG1 THR A 62 -2.198 4.625 -7.715 1.00 0.50 H new ATOM 0 HG21 THR A 62 -3.876 2.965 -8.072 1.00 0.42 H new ATOM 0 HG22 THR A 62 -4.839 2.483 -6.655 1.00 0.42 H new ATOM 0 HG23 THR A 62 -5.053 4.100 -7.368 1.00 0.42 H new ATOM 700 N ALA A 63 -6.076 5.135 -5.508 1.00 0.41 N ATOM 701 CA ALA A 63 -7.574 5.092 -5.500 1.00 0.42 C ATOM 702 C ALA A 63 -8.087 3.697 -5.874 1.00 0.38 C ATOM 703 O ALA A 63 -8.958 3.153 -5.221 1.00 0.41 O ATOM 704 CB ALA A 63 -8.003 6.116 -6.552 1.00 0.49 C ATOM 0 H ALA A 63 -5.672 5.890 -6.062 1.00 0.41 H new ATOM 0 HA ALA A 63 -7.979 5.315 -4.513 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -9.091 6.146 -6.608 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -7.627 7.101 -6.276 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -7.597 5.832 -7.523 1.00 0.49 H new ATOM 710 N GLY A 64 -7.557 3.126 -6.925 1.00 0.35 N ATOM 711 CA GLY A 64 -8.004 1.771 -7.366 1.00 0.36 C ATOM 712 C GLY A 64 -7.892 0.767 -6.216 1.00 0.34 C ATOM 713 O GLY A 64 -8.779 -0.024 -6.000 1.00 0.39 O ATOM 0 H GLY A 64 -6.827 3.545 -7.501 1.00 0.35 H new ATOM 0 HA2 GLY A 64 -9.035 1.818 -7.716 1.00 0.36 H new ATOM 0 HA3 GLY A 64 -7.397 1.438 -8.208 1.00 0.36 H new ATOM 717 N ILE A 65 -6.808 0.786 -5.484 1.00 0.30 N ATOM 718 CA ILE A 65 -6.640 -0.178 -4.350 1.00 0.30 C ATOM 719 C ILE A 65 -7.857 -0.135 -3.421 1.00 0.30 C ATOM 720 O ILE A 65 -8.314 -1.157 -2.949 1.00 0.34 O ATOM 721 CB ILE A 65 -5.375 0.275 -3.606 1.00 0.33 C ATOM 722 CG1 ILE A 65 -4.187 0.340 -4.576 1.00 0.43 C ATOM 723 CG2 ILE A 65 -5.054 -0.721 -2.484 1.00 0.32 C ATOM 724 CD1 ILE A 65 -4.141 -0.934 -5.421 1.00 0.47 C ATOM 0 H ILE A 65 -6.028 1.429 -5.622 1.00 0.30 H new ATOM 0 HA ILE A 65 -6.552 -1.205 -4.705 1.00 0.30 H new ATOM 0 HB ILE A 65 -5.550 1.264 -3.184 1.00 0.33 H new ATOM 0 HG12 ILE A 65 -4.280 1.213 -5.222 1.00 0.43 H new ATOM 0 HG13 ILE A 65 -3.257 0.453 -4.020 1.00 0.43 H new ATOM 0 HG21 ILE A 65 -4.156 -0.398 -1.957 1.00 0.32 H new ATOM 0 HG22 ILE A 65 -5.889 -0.764 -1.785 1.00 0.32 H new ATOM 0 HG23 ILE A 65 -4.888 -1.710 -2.912 1.00 0.32 H new ATOM 0 HD11 ILE A 65 -3.297 -0.884 -6.108 1.00 0.47 H new ATOM 0 HD12 ILE A 65 -4.027 -1.800 -4.768 1.00 0.47 H new ATOM 0 HD13 ILE A 65 -5.066 -1.027 -5.989 1.00 0.47 H new ATOM 736 N LEU A 66 -8.388 1.035 -3.164 1.00 0.30 N ATOM 737 CA LEU A 66 -9.577 1.137 -2.266 1.00 0.33 C ATOM 738 C LEU A 66 -10.858 0.841 -3.051 1.00 0.33 C ATOM 739 O LEU A 66 -11.663 0.022 -2.649 1.00 0.37 O ATOM 740 CB LEU A 66 -9.587 2.584 -1.752 1.00 0.40 C ATOM 741 CG LEU A 66 -8.405 2.841 -0.798 1.00 0.44 C ATOM 742 CD1 LEU A 66 -8.176 1.635 0.120 1.00 0.56 C ATOM 743 CD2 LEU A 66 -7.137 3.110 -1.612 1.00 0.48 C ATOM 0 H LEU A 66 -8.049 1.922 -3.537 1.00 0.30 H new ATOM 0 HA LEU A 66 -9.528 0.421 -1.446 1.00 0.33 H new ATOM 0 HB2 LEU A 66 -9.535 3.273 -2.595 1.00 0.40 H new ATOM 0 HB3 LEU A 66 -10.526 2.783 -1.235 1.00 0.40 H new ATOM 0 HG LEU A 66 -8.640 3.709 -0.182 1.00 0.44 H new ATOM 0 HD11 LEU A 66 -7.337 1.838 0.785 1.00 0.56 H new ATOM 0 HD12 LEU A 66 -9.073 1.453 0.712 1.00 0.56 H new ATOM 0 HD13 LEU A 66 -7.955 0.755 -0.484 1.00 0.56 H new ATOM 0 HD21 LEU A 66 -6.302 3.292 -0.935 1.00 0.48 H new ATOM 0 HD22 LEU A 66 -6.916 2.245 -2.237 1.00 0.48 H new ATOM 0 HD23 LEU A 66 -7.289 3.985 -2.244 1.00 0.48 H new ATOM 755 N LYS A 67 -11.050 1.500 -4.168 1.00 0.31 N ATOM 756 CA LYS A 67 -12.277 1.257 -4.987 1.00 0.34 C ATOM 757 C LYS A 67 -12.369 -0.225 -5.357 1.00 0.32 C ATOM 758 O LYS A 67 -13.434 -0.813 -5.351 1.00 0.39 O ATOM 759 CB LYS A 67 -12.095 2.113 -6.241 1.00 0.39 C ATOM 760 CG LYS A 67 -12.617 3.526 -5.976 1.00 0.44 C ATOM 761 CD LYS A 67 -14.147 3.515 -5.990 1.00 0.55 C ATOM 762 CE LYS A 67 -14.646 3.245 -7.413 1.00 0.64 C ATOM 763 NZ LYS A 67 -15.660 2.163 -7.266 1.00 0.80 N ATOM 0 H LYS A 67 -10.409 2.196 -4.548 1.00 0.31 H new ATOM 0 HA LYS A 67 -13.192 1.513 -4.452 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -11.042 2.149 -6.519 1.00 0.39 H new ATOM 0 HB3 LYS A 67 -12.631 1.667 -7.079 1.00 0.39 H new ATOM 0 HG2 LYS A 67 -12.254 3.885 -5.013 1.00 0.44 H new ATOM 0 HG3 LYS A 67 -12.241 4.213 -6.734 1.00 0.44 H new ATOM 0 HD2 LYS A 67 -14.521 2.749 -5.311 1.00 0.55 H new ATOM 0 HD3 LYS A 67 -14.531 4.471 -5.634 1.00 0.55 H new ATOM 0 HE2 LYS A 67 -15.085 4.140 -7.854 1.00 0.64 H new ATOM 0 HE3 LYS A 67 -13.830 2.935 -8.066 1.00 0.64 H new ATOM 0 HZ1 LYS A 67 -16.049 1.922 -8.200 1.00 0.80 H new ATOM 0 HZ2 LYS A 67 -15.212 1.322 -6.850 1.00 0.80 H new ATOM 0 HZ3 LYS A 67 -16.428 2.489 -6.645 1.00 0.80 H new ATOM 777 N ARG A 68 -11.250 -0.828 -5.664 1.00 0.31 N ATOM 778 CA ARG A 68 -11.241 -2.273 -6.022 1.00 0.31 C ATOM 779 C ARG A 68 -11.358 -3.113 -4.742 1.00 0.29 C ATOM 780 O ARG A 68 -11.899 -4.202 -4.748 1.00 0.33 O ATOM 781 CB ARG A 68 -9.899 -2.498 -6.747 1.00 0.35 C ATOM 782 CG ARG A 68 -8.788 -2.851 -5.752 1.00 0.39 C ATOM 783 CD ARG A 68 -7.438 -2.855 -6.479 1.00 0.59 C ATOM 784 NE ARG A 68 -7.382 -4.168 -7.181 1.00 0.78 N ATOM 785 CZ ARG A 68 -7.940 -4.306 -8.352 1.00 0.83 C ATOM 786 NH1 ARG A 68 -7.496 -3.623 -9.371 1.00 0.80 N ATOM 787 NH2 ARG A 68 -8.943 -5.127 -8.503 1.00 1.14 N ATOM 0 H ARG A 68 -10.336 -0.375 -5.681 1.00 0.31 H new ATOM 0 HA ARG A 68 -12.074 -2.567 -6.660 1.00 0.31 H new ATOM 0 HB2 ARG A 68 -10.006 -3.300 -7.477 1.00 0.35 H new ATOM 0 HB3 ARG A 68 -9.625 -1.599 -7.299 1.00 0.35 H new ATOM 0 HG2 ARG A 68 -8.772 -2.129 -4.936 1.00 0.39 H new ATOM 0 HG3 ARG A 68 -8.978 -3.829 -5.309 1.00 0.39 H new ATOM 0 HD2 ARG A 68 -7.367 -2.027 -7.184 1.00 0.59 H new ATOM 0 HD3 ARG A 68 -6.611 -2.747 -5.777 1.00 0.59 H new ATOM 0 HE ARG A 68 -6.907 -4.959 -6.746 1.00 0.78 H new ATOM 0 HH11 ARG A 68 -6.712 -2.981 -9.252 1.00 0.80 H new ATOM 0 HH12 ARG A 68 -7.932 -3.731 -10.287 1.00 0.80 H new ATOM 0 HH21 ARG A 68 -9.290 -5.660 -7.706 1.00 1.14 H new ATOM 0 HH22 ARG A 68 -9.380 -5.235 -9.418 1.00 1.14 H new ATOM 801 N TRP A 69 -10.855 -2.594 -3.647 1.00 0.28 N ATOM 802 CA TRP A 69 -10.916 -3.315 -2.334 1.00 0.28 C ATOM 803 C TRP A 69 -12.318 -3.871 -2.046 1.00 0.27 C ATOM 804 O TRP A 69 -12.462 -4.918 -1.443 1.00 0.31 O ATOM 805 CB TRP A 69 -10.586 -2.235 -1.307 1.00 0.29 C ATOM 806 CG TRP A 69 -9.986 -2.843 -0.085 1.00 0.29 C ATOM 807 CD1 TRP A 69 -10.524 -2.763 1.151 1.00 0.34 C ATOM 808 CD2 TRP A 69 -8.748 -3.603 0.054 1.00 0.28 C ATOM 809 NE1 TRP A 69 -9.700 -3.422 2.041 1.00 0.36 N ATOM 810 CE2 TRP A 69 -8.594 -3.954 1.417 1.00 0.31 C ATOM 811 CE3 TRP A 69 -7.752 -4.019 -0.853 1.00 0.31 C ATOM 812 CZ2 TRP A 69 -7.497 -4.686 1.864 1.00 0.33 C ATOM 813 CZ3 TRP A 69 -6.648 -4.756 -0.402 1.00 0.34 C ATOM 814 CH2 TRP A 69 -6.522 -5.085 0.954 1.00 0.34 C ATOM 0 H TRP A 69 -10.396 -1.684 -3.607 1.00 0.28 H new ATOM 0 HA TRP A 69 -10.238 -4.169 -2.318 1.00 0.28 H new ATOM 0 HB2 TRP A 69 -9.893 -1.513 -1.739 1.00 0.29 H new ATOM 0 HB3 TRP A 69 -11.491 -1.688 -1.042 1.00 0.29 H new ATOM 0 HD1 TRP A 69 -11.449 -2.265 1.402 1.00 0.34 H new ATOM 0 HE1 TRP A 69 -9.888 -3.505 3.040 1.00 0.36 H new ATOM 0 HE3 TRP A 69 -7.840 -3.769 -1.900 1.00 0.31 H new ATOM 0 HZ2 TRP A 69 -7.403 -4.942 2.909 1.00 0.33 H new ATOM 0 HZ3 TRP A 69 -5.890 -5.072 -1.104 1.00 0.34 H new ATOM 0 HH2 TRP A 69 -5.666 -5.650 1.294 1.00 0.34 H new ATOM 825 N GLY A 70 -13.349 -3.165 -2.444 1.00 0.27 N ATOM 826 CA GLY A 70 -14.738 -3.637 -2.162 1.00 0.32 C ATOM 827 C GLY A 70 -15.376 -4.221 -3.421 1.00 0.34 C ATOM 828 O GLY A 70 -16.554 -4.036 -3.665 1.00 0.44 O ATOM 0 H GLY A 70 -13.287 -2.283 -2.952 1.00 0.27 H new ATOM 0 HA2 GLY A 70 -14.718 -4.391 -1.375 1.00 0.32 H new ATOM 0 HA3 GLY A 70 -15.342 -2.807 -1.794 1.00 0.32 H new ATOM 832 N THR A 71 -14.621 -4.933 -4.215 1.00 0.33 N ATOM 833 CA THR A 71 -15.206 -5.535 -5.449 1.00 0.39 C ATOM 834 C THR A 71 -14.255 -6.574 -6.056 1.00 0.42 C ATOM 835 O THR A 71 -14.292 -6.835 -7.244 1.00 0.62 O ATOM 836 CB THR A 71 -15.420 -4.361 -6.408 1.00 0.45 C ATOM 837 OG1 THR A 71 -16.018 -4.833 -7.608 1.00 0.53 O ATOM 838 CG2 THR A 71 -14.078 -3.705 -6.728 1.00 0.53 C ATOM 0 H THR A 71 -13.630 -5.123 -4.064 1.00 0.33 H new ATOM 0 HA THR A 71 -16.137 -6.061 -5.240 1.00 0.39 H new ATOM 0 HB THR A 71 -16.075 -3.627 -5.939 1.00 0.45 H new ATOM 0 HG1 THR A 71 -15.617 -5.692 -7.858 1.00 0.53 H new ATOM 0 HG21 THR A 71 -14.235 -2.870 -7.411 1.00 0.53 H new ATOM 0 HG22 THR A 71 -13.623 -3.340 -5.807 1.00 0.53 H new ATOM 0 HG23 THR A 71 -13.418 -4.436 -7.195 1.00 0.53 H new ATOM 846 N ILE A 72 -13.415 -7.178 -5.250 1.00 0.39 N ATOM 847 CA ILE A 72 -12.480 -8.211 -5.787 1.00 0.42 C ATOM 848 C ILE A 72 -13.050 -9.612 -5.527 1.00 0.40 C ATOM 849 O ILE A 72 -14.162 -9.909 -5.924 1.00 0.50 O ATOM 850 CB ILE A 72 -11.145 -7.985 -5.062 1.00 0.44 C ATOM 851 CG1 ILE A 72 -11.339 -8.112 -3.549 1.00 0.39 C ATOM 852 CG2 ILE A 72 -10.606 -6.591 -5.395 1.00 0.54 C ATOM 853 CD1 ILE A 72 -10.100 -8.779 -2.943 1.00 0.40 C ATOM 0 H ILE A 72 -13.338 -7.000 -4.249 1.00 0.39 H new ATOM 0 HA ILE A 72 -12.342 -8.131 -6.865 1.00 0.42 H new ATOM 0 HB ILE A 72 -10.431 -8.739 -5.393 1.00 0.44 H new ATOM 0 HG12 ILE A 72 -11.493 -7.128 -3.105 1.00 0.39 H new ATOM 0 HG13 ILE A 72 -12.229 -8.702 -3.332 1.00 0.39 H new ATOM 0 HG21 ILE A 72 -9.659 -6.434 -4.879 1.00 0.54 H new ATOM 0 HG22 ILE A 72 -10.451 -6.508 -6.471 1.00 0.54 H new ATOM 0 HG23 ILE A 72 -11.324 -5.837 -5.073 1.00 0.54 H new ATOM 0 HD11 ILE A 72 -10.229 -8.874 -1.865 1.00 0.40 H new ATOM 0 HD12 ILE A 72 -9.968 -9.768 -3.381 1.00 0.40 H new ATOM 0 HD13 ILE A 72 -9.220 -8.170 -3.151 1.00 0.40 H new ATOM 865 N LYS A 73 -12.306 -10.478 -4.888 1.00 0.34 N ATOM 866 CA LYS A 73 -12.812 -11.860 -4.631 1.00 0.33 C ATOM 867 C LYS A 73 -12.874 -12.170 -3.140 1.00 0.28 C ATOM 868 O LYS A 73 -13.720 -12.924 -2.701 1.00 0.32 O ATOM 869 CB LYS A 73 -11.786 -12.770 -5.296 1.00 0.36 C ATOM 870 CG LYS A 73 -12.297 -14.205 -5.284 1.00 0.41 C ATOM 871 CD LYS A 73 -12.954 -14.528 -6.628 1.00 0.57 C ATOM 872 CE LYS A 73 -11.878 -14.628 -7.713 1.00 0.69 C ATOM 873 NZ LYS A 73 -12.402 -13.823 -8.851 1.00 0.73 N ATOM 0 H LYS A 73 -11.369 -10.288 -4.533 1.00 0.34 H new ATOM 0 HA LYS A 73 -13.823 -11.990 -5.016 1.00 0.33 H new ATOM 0 HB2 LYS A 73 -11.606 -12.445 -6.321 1.00 0.36 H new ATOM 0 HB3 LYS A 73 -10.833 -12.707 -4.770 1.00 0.36 H new ATOM 0 HG2 LYS A 73 -11.473 -14.893 -5.096 1.00 0.41 H new ATOM 0 HG3 LYS A 73 -13.015 -14.339 -4.475 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -13.504 -15.466 -6.559 1.00 0.57 H new ATOM 0 HD3 LYS A 73 -13.676 -13.753 -6.887 1.00 0.57 H new ATOM 0 HE2 LYS A 73 -10.924 -14.237 -7.360 1.00 0.69 H new ATOM 0 HE3 LYS A 73 -11.709 -15.664 -8.007 1.00 0.69 H new ATOM 0 HZ1 LYS A 73 -11.719 -13.844 -9.635 1.00 0.73 H new ATOM 0 HZ2 LYS A 73 -13.308 -14.222 -9.171 1.00 0.73 H new ATOM 0 HZ3 LYS A 73 -12.546 -12.840 -8.543 1.00 0.73 H new ATOM 887 N LYS A 74 -11.962 -11.624 -2.380 1.00 0.26 N ATOM 888 CA LYS A 74 -11.897 -11.888 -0.905 1.00 0.25 C ATOM 889 C LYS A 74 -11.439 -13.323 -0.642 1.00 0.24 C ATOM 890 O LYS A 74 -10.534 -13.557 0.134 1.00 0.28 O ATOM 891 CB LYS A 74 -13.301 -11.666 -0.323 1.00 0.26 C ATOM 892 CG LYS A 74 -13.835 -10.287 -0.709 1.00 0.29 C ATOM 893 CD LYS A 74 -12.741 -9.233 -0.547 1.00 0.32 C ATOM 894 CE LYS A 74 -13.383 -7.888 -0.211 1.00 0.31 C ATOM 895 NZ LYS A 74 -14.279 -7.587 -1.363 1.00 0.29 N ATOM 0 H LYS A 74 -11.241 -10.991 -2.725 1.00 0.26 H new ATOM 0 HA LYS A 74 -11.181 -11.215 -0.434 1.00 0.25 H new ATOM 0 HB2 LYS A 74 -13.978 -12.439 -0.688 1.00 0.26 H new ATOM 0 HB3 LYS A 74 -13.269 -11.758 0.763 1.00 0.26 H new ATOM 0 HG2 LYS A 74 -14.187 -10.301 -1.741 1.00 0.29 H new ATOM 0 HG3 LYS A 74 -14.691 -10.032 -0.084 1.00 0.29 H new ATOM 0 HD2 LYS A 74 -12.051 -9.527 0.243 1.00 0.32 H new ATOM 0 HD3 LYS A 74 -12.159 -9.152 -1.465 1.00 0.32 H new ATOM 0 HE2 LYS A 74 -13.944 -7.941 0.722 1.00 0.31 H new ATOM 0 HE3 LYS A 74 -12.628 -7.112 -0.085 1.00 0.31 H new ATOM 0 HZ1 LYS A 74 -14.207 -6.578 -1.605 1.00 0.29 H new ATOM 0 HZ2 LYS A 74 -13.995 -8.161 -2.183 1.00 0.29 H new ATOM 0 HZ3 LYS A 74 -15.261 -7.812 -1.107 1.00 0.29 H new ATOM 909 N SER A 75 -12.049 -14.285 -1.287 1.00 0.26 N ATOM 910 CA SER A 75 -11.642 -15.702 -1.074 1.00 0.27 C ATOM 911 C SER A 75 -10.182 -15.873 -1.479 1.00 0.26 C ATOM 912 O SER A 75 -9.399 -16.468 -0.768 1.00 0.29 O ATOM 913 CB SER A 75 -12.558 -16.527 -1.977 1.00 0.31 C ATOM 914 OG SER A 75 -12.275 -16.226 -3.337 1.00 0.35 O ATOM 0 H SER A 75 -12.811 -14.148 -1.951 1.00 0.26 H new ATOM 0 HA SER A 75 -11.730 -16.014 -0.033 1.00 0.27 H new ATOM 0 HB2 SER A 75 -12.410 -17.591 -1.790 1.00 0.31 H new ATOM 0 HB3 SER A 75 -13.602 -16.307 -1.754 1.00 0.31 H new ATOM 0 HG SER A 75 -12.860 -16.755 -3.918 1.00 0.35 H new ATOM 920 N LYS A 76 -9.815 -15.340 -2.615 1.00 0.26 N ATOM 921 CA LYS A 76 -8.404 -15.452 -3.078 1.00 0.27 C ATOM 922 C LYS A 76 -7.521 -14.457 -2.318 1.00 0.28 C ATOM 923 O LYS A 76 -6.359 -14.714 -2.071 1.00 0.34 O ATOM 924 CB LYS A 76 -8.447 -15.109 -4.565 1.00 0.31 C ATOM 925 CG LYS A 76 -8.715 -16.379 -5.376 1.00 0.35 C ATOM 926 CD LYS A 76 -7.384 -17.004 -5.804 1.00 0.42 C ATOM 927 CE LYS A 76 -6.751 -17.725 -4.612 1.00 0.45 C ATOM 928 NZ LYS A 76 -5.863 -18.758 -5.214 1.00 0.39 N ATOM 0 H LYS A 76 -10.436 -14.830 -3.243 1.00 0.26 H new ATOM 0 HA LYS A 76 -7.987 -16.444 -2.903 1.00 0.27 H new ATOM 0 HB2 LYS A 76 -9.227 -14.372 -4.756 1.00 0.31 H new ATOM 0 HB3 LYS A 76 -7.502 -14.661 -4.873 1.00 0.31 H new ATOM 0 HG2 LYS A 76 -9.287 -17.090 -4.780 1.00 0.35 H new ATOM 0 HG3 LYS A 76 -9.316 -16.142 -6.254 1.00 0.35 H new ATOM 0 HD2 LYS A 76 -7.546 -17.705 -6.622 1.00 0.42 H new ATOM 0 HD3 LYS A 76 -6.710 -16.232 -6.175 1.00 0.42 H new ATOM 0 HE2 LYS A 76 -6.185 -17.034 -3.987 1.00 0.45 H new ATOM 0 HE3 LYS A 76 -7.511 -18.180 -3.977 1.00 0.45 H new ATOM 0 HZ1 LYS A 76 -5.393 -19.295 -4.458 1.00 0.39 H new ATOM 0 HZ2 LYS A 76 -6.430 -19.406 -5.797 1.00 0.39 H new ATOM 0 HZ3 LYS A 76 -5.145 -18.296 -5.808 1.00 0.39 H new ATOM 942 N ALA A 77 -8.068 -13.324 -1.944 1.00 0.28 N ATOM 943 CA ALA A 77 -7.265 -12.309 -1.194 1.00 0.30 C ATOM 944 C ALA A 77 -6.990 -12.806 0.224 1.00 0.27 C ATOM 945 O ALA A 77 -5.867 -12.790 0.692 1.00 0.30 O ATOM 946 CB ALA A 77 -8.136 -11.053 -1.145 1.00 0.32 C ATOM 0 H ALA A 77 -9.036 -13.060 -2.126 1.00 0.28 H new ATOM 0 HA ALA A 77 -6.303 -12.119 -1.671 1.00 0.30 H new ATOM 0 HB1 ALA A 77 -7.608 -10.265 -0.608 1.00 0.32 H new ATOM 0 HB2 ALA A 77 -8.351 -10.719 -2.160 1.00 0.32 H new ATOM 0 HB3 ALA A 77 -9.071 -11.278 -0.632 1.00 0.32 H new ATOM 952 N ILE A 78 -8.014 -13.240 0.909 1.00 0.26 N ATOM 953 CA ILE A 78 -7.829 -13.737 2.301 1.00 0.26 C ATOM 954 C ILE A 78 -6.971 -15.006 2.289 1.00 0.26 C ATOM 955 O ILE A 78 -6.075 -15.157 3.099 1.00 0.29 O ATOM 956 CB ILE A 78 -9.245 -14.012 2.817 1.00 0.27 C ATOM 957 CG1 ILE A 78 -10.047 -12.704 2.802 1.00 0.28 C ATOM 958 CG2 ILE A 78 -9.175 -14.550 4.248 1.00 0.33 C ATOM 959 CD1 ILE A 78 -11.539 -13.008 2.674 1.00 0.29 C ATOM 0 H ILE A 78 -8.973 -13.271 0.562 1.00 0.26 H new ATOM 0 HA ILE A 78 -7.312 -13.023 2.942 1.00 0.26 H new ATOM 0 HB ILE A 78 -9.730 -14.750 2.179 1.00 0.27 H new ATOM 0 HG12 ILE A 78 -9.859 -12.142 3.717 1.00 0.28 H new ATOM 0 HG13 ILE A 78 -9.722 -12.078 1.971 1.00 0.28 H new ATOM 0 HG21 ILE A 78 -10.183 -14.745 4.613 1.00 0.33 H new ATOM 0 HG22 ILE A 78 -8.599 -15.475 4.261 1.00 0.33 H new ATOM 0 HG23 ILE A 78 -8.693 -13.813 4.890 1.00 0.33 H new ATOM 0 HD11 ILE A 78 -12.101 -12.074 2.664 1.00 0.29 H new ATOM 0 HD12 ILE A 78 -11.721 -13.551 1.747 1.00 0.29 H new ATOM 0 HD13 ILE A 78 -11.860 -13.616 3.520 1.00 0.29 H new ATOM 971 N ASN A 79 -7.212 -15.905 1.363 1.00 0.27 N ATOM 972 CA ASN A 79 -6.374 -17.142 1.293 1.00 0.29 C ATOM 973 C ASN A 79 -4.929 -16.732 1.024 1.00 0.29 C ATOM 974 O ASN A 79 -3.995 -17.294 1.564 1.00 0.33 O ATOM 975 CB ASN A 79 -6.924 -17.953 0.120 1.00 0.29 C ATOM 976 CG ASN A 79 -7.956 -18.960 0.634 1.00 0.34 C ATOM 977 OD1 ASN A 79 -7.653 -19.777 1.481 1.00 0.45 O ATOM 978 ND2 ASN A 79 -9.169 -18.938 0.156 1.00 0.44 N ATOM 0 H ASN A 79 -7.947 -15.836 0.659 1.00 0.27 H new ATOM 0 HA ASN A 79 -6.402 -17.723 2.215 1.00 0.29 H new ATOM 0 HB2 ASN A 79 -7.382 -17.288 -0.612 1.00 0.29 H new ATOM 0 HB3 ASN A 79 -6.113 -18.475 -0.387 1.00 0.29 H new ATOM 0 HD21 ASN A 79 -9.862 -19.606 0.493 1.00 0.44 H new ATOM 0 HD22 ASN A 79 -9.425 -18.253 -0.555 1.00 0.44 H new ATOM 985 N VAL A 80 -4.754 -15.730 0.200 1.00 0.27 N ATOM 986 CA VAL A 80 -3.386 -15.231 -0.112 1.00 0.29 C ATOM 987 C VAL A 80 -2.746 -14.706 1.174 1.00 0.29 C ATOM 988 O VAL A 80 -1.655 -15.098 1.543 1.00 0.32 O ATOM 989 CB VAL A 80 -3.610 -14.100 -1.125 1.00 0.32 C ATOM 990 CG1 VAL A 80 -2.609 -12.968 -0.891 1.00 0.37 C ATOM 991 CG2 VAL A 80 -3.441 -14.645 -2.547 1.00 0.46 C ATOM 0 H VAL A 80 -5.509 -15.234 -0.273 1.00 0.27 H new ATOM 0 HA VAL A 80 -2.722 -15.997 -0.513 1.00 0.29 H new ATOM 0 HB VAL A 80 -4.620 -13.709 -0.998 1.00 0.32 H new ATOM 0 HG11 VAL A 80 -2.781 -12.174 -1.618 1.00 0.37 H new ATOM 0 HG12 VAL A 80 -2.737 -12.572 0.116 1.00 0.37 H new ATOM 0 HG13 VAL A 80 -1.595 -13.350 -1.005 1.00 0.37 H new ATOM 0 HG21 VAL A 80 -3.600 -13.841 -3.266 1.00 0.46 H new ATOM 0 HG22 VAL A 80 -2.434 -15.044 -2.666 1.00 0.46 H new ATOM 0 HG23 VAL A 80 -4.169 -15.438 -2.722 1.00 0.46 H new ATOM 1001 N LEU A 81 -3.433 -13.825 1.861 1.00 0.31 N ATOM 1002 CA LEU A 81 -2.886 -13.271 3.134 1.00 0.33 C ATOM 1003 C LEU A 81 -2.608 -14.414 4.109 1.00 0.33 C ATOM 1004 O LEU A 81 -1.650 -14.381 4.860 1.00 0.37 O ATOM 1005 CB LEU A 81 -3.973 -12.340 3.669 1.00 0.36 C ATOM 1006 CG LEU A 81 -3.461 -10.898 3.643 1.00 0.39 C ATOM 1007 CD1 LEU A 81 -3.938 -10.209 2.363 1.00 0.62 C ATOM 1008 CD2 LEU A 81 -3.999 -10.142 4.858 1.00 0.47 C ATOM 0 H LEU A 81 -4.350 -13.467 1.593 1.00 0.31 H new ATOM 0 HA LEU A 81 -1.947 -12.736 2.992 1.00 0.33 H new ATOM 0 HB2 LEU A 81 -4.875 -12.429 3.063 1.00 0.36 H new ATOM 0 HB3 LEU A 81 -4.243 -12.624 4.686 1.00 0.36 H new ATOM 0 HG LEU A 81 -2.371 -10.901 3.670 1.00 0.39 H new ATOM 0 HD11 LEU A 81 -3.573 -9.182 2.345 1.00 0.62 H new ATOM 0 HD12 LEU A 81 -3.554 -10.746 1.496 1.00 0.62 H new ATOM 0 HD13 LEU A 81 -5.028 -10.207 2.335 1.00 0.62 H new ATOM 0 HD21 LEU A 81 -3.634 -9.115 4.839 1.00 0.47 H new ATOM 0 HD22 LEU A 81 -5.089 -10.140 4.832 1.00 0.47 H new ATOM 0 HD23 LEU A 81 -3.659 -10.631 5.771 1.00 0.47 H new ATOM 1020 N ARG A 82 -3.424 -15.437 4.081 1.00 0.33 N ATOM 1021 CA ARG A 82 -3.190 -16.599 4.983 1.00 0.35 C ATOM 1022 C ARG A 82 -1.929 -17.327 4.514 1.00 0.34 C ATOM 1023 O ARG A 82 -1.097 -17.736 5.306 1.00 0.36 O ATOM 1024 CB ARG A 82 -4.427 -17.488 4.831 1.00 0.38 C ATOM 1025 CG ARG A 82 -4.703 -18.209 6.153 1.00 0.44 C ATOM 1026 CD ARG A 82 -5.747 -17.425 6.967 1.00 0.47 C ATOM 1027 NE ARG A 82 -7.067 -17.615 6.279 1.00 0.46 N ATOM 1028 CZ ARG A 82 -7.353 -18.731 5.656 1.00 0.60 C ATOM 1029 NH1 ARG A 82 -7.436 -19.852 6.320 1.00 0.79 N ATOM 1030 NH2 ARG A 82 -7.559 -18.719 4.368 1.00 0.70 N ATOM 0 H ARG A 82 -4.239 -15.516 3.473 1.00 0.33 H new ATOM 0 HA ARG A 82 -3.045 -16.314 6.025 1.00 0.35 H new ATOM 0 HB2 ARG A 82 -5.289 -16.884 4.547 1.00 0.38 H new ATOM 0 HB3 ARG A 82 -4.270 -18.215 4.034 1.00 0.38 H new ATOM 0 HG2 ARG A 82 -5.064 -19.219 5.958 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -3.780 -18.305 6.725 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -5.790 -17.790 7.993 1.00 0.47 H new ATOM 0 HD3 ARG A 82 -5.485 -16.368 7.015 1.00 0.47 H new ATOM 0 HE ARG A 82 -7.754 -16.861 6.297 1.00 0.46 H new ATOM 0 HH11 ARG A 82 -7.278 -19.861 7.328 1.00 0.79 H new ATOM 0 HH12 ARG A 82 -7.659 -20.719 5.831 1.00 0.79 H new ATOM 0 HH21 ARG A 82 -7.497 -17.843 3.850 1.00 0.70 H new ATOM 0 HH22 ARG A 82 -7.782 -19.586 3.879 1.00 0.70 H new ATOM 1044 N GLY A 83 -1.773 -17.461 3.218 1.00 0.35 N ATOM 1045 CA GLY A 83 -0.560 -18.129 2.669 1.00 0.36 C ATOM 1046 C GLY A 83 0.660 -17.297 3.054 1.00 0.35 C ATOM 1047 O GLY A 83 1.702 -17.824 3.394 1.00 0.39 O ATOM 0 H GLY A 83 -2.439 -17.134 2.518 1.00 0.35 H new ATOM 0 HA2 GLY A 83 -0.471 -19.140 3.066 1.00 0.36 H new ATOM 0 HA3 GLY A 83 -0.633 -18.217 1.585 1.00 0.36 H new ATOM 1051 N PHE A 84 0.524 -15.991 3.025 1.00 0.36 N ATOM 1052 CA PHE A 84 1.663 -15.111 3.415 1.00 0.37 C ATOM 1053 C PHE A 84 2.013 -15.380 4.877 1.00 0.37 C ATOM 1054 O PHE A 84 3.168 -15.383 5.261 1.00 0.40 O ATOM 1055 CB PHE A 84 1.156 -13.675 3.240 1.00 0.42 C ATOM 1056 CG PHE A 84 1.223 -13.256 1.792 1.00 0.47 C ATOM 1057 CD1 PHE A 84 2.311 -13.627 0.991 1.00 0.76 C ATOM 1058 CD2 PHE A 84 0.195 -12.474 1.254 1.00 0.96 C ATOM 1059 CE1 PHE A 84 2.362 -13.220 -0.344 1.00 0.86 C ATOM 1060 CE2 PHE A 84 0.251 -12.066 -0.077 1.00 1.17 C ATOM 1061 CZ PHE A 84 1.333 -12.439 -0.876 1.00 0.92 C ATOM 0 H PHE A 84 -0.327 -15.501 2.748 1.00 0.36 H new ATOM 0 HA PHE A 84 2.556 -15.287 2.815 1.00 0.37 H new ATOM 0 HB2 PHE A 84 0.129 -13.601 3.598 1.00 0.42 H new ATOM 0 HB3 PHE A 84 1.755 -12.997 3.848 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.108 -14.226 1.405 1.00 0.76 H new ATOM 0 HD2 PHE A 84 -0.643 -12.186 1.871 1.00 0.96 H new ATOM 0 HE1 PHE A 84 3.197 -13.509 -0.965 1.00 0.86 H new ATOM 0 HE2 PHE A 84 -0.543 -11.461 -0.490 1.00 1.17 H new ATOM 0 HZ PHE A 84 1.375 -12.123 -1.908 1.00 0.92 H new ATOM 1071 N ARG A 85 1.015 -15.629 5.691 1.00 0.38 N ATOM 1072 CA ARG A 85 1.272 -15.925 7.130 1.00 0.40 C ATOM 1073 C ARG A 85 2.127 -17.187 7.233 1.00 0.37 C ATOM 1074 O ARG A 85 3.048 -17.264 8.023 1.00 0.41 O ATOM 1075 CB ARG A 85 -0.109 -16.156 7.748 1.00 0.46 C ATOM 1076 CG ARG A 85 -0.024 -15.990 9.267 1.00 0.53 C ATOM 1077 CD ARG A 85 0.711 -17.189 9.872 1.00 0.84 C ATOM 1078 NE ARG A 85 0.117 -17.362 11.226 1.00 0.82 N ATOM 1079 CZ ARG A 85 -0.036 -18.559 11.723 1.00 1.13 C ATOM 1080 NH1 ARG A 85 -1.100 -19.255 11.431 1.00 1.45 N ATOM 1081 NH2 ARG A 85 0.876 -19.059 12.512 1.00 1.55 N ATOM 0 H ARG A 85 0.033 -15.639 5.417 1.00 0.38 H new ATOM 0 HA ARG A 85 1.804 -15.121 7.640 1.00 0.40 H new ATOM 0 HB2 ARG A 85 -0.827 -15.448 7.334 1.00 0.46 H new ATOM 0 HB3 ARG A 85 -0.467 -17.155 7.500 1.00 0.46 H new ATOM 0 HG2 ARG A 85 0.500 -15.067 9.514 1.00 0.53 H new ATOM 0 HG3 ARG A 85 -1.025 -15.912 9.691 1.00 0.53 H new ATOM 0 HD2 ARG A 85 0.575 -18.083 9.264 1.00 0.84 H new ATOM 0 HD3 ARG A 85 1.784 -17.005 9.932 1.00 0.84 H new ATOM 0 HE ARG A 85 -0.170 -16.545 11.765 1.00 0.82 H new ATOM 0 HH11 ARG A 85 -1.812 -18.864 10.814 1.00 1.45 H new ATOM 0 HH12 ARG A 85 -1.220 -20.191 11.819 1.00 1.45 H new ATOM 0 HH21 ARG A 85 1.708 -18.514 12.740 1.00 1.55 H new ATOM 0 HH22 ARG A 85 0.757 -19.994 12.901 1.00 1.55 H new ATOM 1095 N LYS A 86 1.836 -18.170 6.420 1.00 0.36 N ATOM 1096 CA LYS A 86 2.643 -19.425 6.446 1.00 0.37 C ATOM 1097 C LYS A 86 3.989 -19.175 5.763 1.00 0.36 C ATOM 1098 O LYS A 86 4.995 -19.763 6.117 1.00 0.39 O ATOM 1099 CB LYS A 86 1.818 -20.454 5.668 1.00 0.40 C ATOM 1100 CG LYS A 86 1.636 -21.714 6.519 1.00 0.46 C ATOM 1101 CD LYS A 86 0.704 -21.411 7.696 1.00 0.48 C ATOM 1102 CE LYS A 86 1.532 -21.170 8.963 1.00 0.43 C ATOM 1103 NZ LYS A 86 1.025 -22.162 9.952 1.00 0.52 N ATOM 0 H LYS A 86 1.075 -18.157 5.740 1.00 0.36 H new ATOM 0 HA LYS A 86 2.851 -19.771 7.458 1.00 0.37 H new ATOM 0 HB2 LYS A 86 0.846 -20.035 5.408 1.00 0.40 H new ATOM 0 HB3 LYS A 86 2.318 -20.704 4.732 1.00 0.40 H new ATOM 0 HG2 LYS A 86 1.221 -22.518 5.911 1.00 0.46 H new ATOM 0 HG3 LYS A 86 2.602 -22.059 6.887 1.00 0.46 H new ATOM 0 HD2 LYS A 86 0.097 -20.533 7.475 1.00 0.48 H new ATOM 0 HD3 LYS A 86 0.017 -22.243 7.852 1.00 0.48 H new ATOM 0 HE2 LYS A 86 2.596 -21.312 8.772 1.00 0.43 H new ATOM 0 HE3 LYS A 86 1.407 -20.150 9.328 1.00 0.43 H new ATOM 0 HZ1 LYS A 86 1.545 -22.058 10.846 1.00 0.52 H new ATOM 0 HZ2 LYS A 86 0.012 -21.998 10.120 1.00 0.52 H new ATOM 0 HZ3 LYS A 86 1.163 -23.124 9.581 1.00 0.52 H new ATOM 1117 N GLU A 87 4.012 -18.291 4.796 1.00 0.36 N ATOM 1118 CA GLU A 87 5.289 -17.978 4.091 1.00 0.36 C ATOM 1119 C GLU A 87 6.222 -17.219 5.035 1.00 0.35 C ATOM 1120 O GLU A 87 7.418 -17.440 5.051 1.00 0.37 O ATOM 1121 CB GLU A 87 4.890 -17.097 2.907 1.00 0.40 C ATOM 1122 CG GLU A 87 4.533 -17.978 1.709 1.00 0.48 C ATOM 1123 CD GLU A 87 4.517 -17.128 0.437 1.00 0.61 C ATOM 1124 OE1 GLU A 87 3.634 -16.293 0.318 1.00 0.92 O ATOM 1125 OE2 GLU A 87 5.386 -17.325 -0.395 1.00 0.83 O ATOM 0 H GLU A 87 3.198 -17.773 4.465 1.00 0.36 H new ATOM 0 HA GLU A 87 5.815 -18.874 3.763 1.00 0.36 H new ATOM 0 HB2 GLU A 87 4.040 -16.471 3.177 1.00 0.40 H new ATOM 0 HB3 GLU A 87 5.709 -16.427 2.647 1.00 0.40 H new ATOM 0 HG2 GLU A 87 5.258 -18.786 1.610 1.00 0.48 H new ATOM 0 HG3 GLU A 87 3.558 -18.441 1.862 1.00 0.48 H new ATOM 1132 N ILE A 88 5.676 -16.330 5.829 1.00 0.35 N ATOM 1133 CA ILE A 88 6.522 -15.559 6.785 1.00 0.36 C ATOM 1134 C ILE A 88 7.024 -16.502 7.884 1.00 0.36 C ATOM 1135 O ILE A 88 8.179 -16.461 8.270 1.00 0.36 O ATOM 1136 CB ILE A 88 5.601 -14.443 7.325 1.00 0.42 C ATOM 1137 CG1 ILE A 88 6.395 -13.135 7.416 1.00 0.46 C ATOM 1138 CG2 ILE A 88 5.036 -14.788 8.712 1.00 0.45 C ATOM 1139 CD1 ILE A 88 5.555 -11.988 6.852 1.00 0.70 C ATOM 0 H ILE A 88 4.681 -16.107 5.854 1.00 0.35 H new ATOM 0 HA ILE A 88 7.412 -15.123 6.332 1.00 0.36 H new ATOM 0 HB ILE A 88 4.762 -14.338 6.637 1.00 0.42 H new ATOM 0 HG12 ILE A 88 6.660 -12.930 8.453 1.00 0.46 H new ATOM 0 HG13 ILE A 88 7.328 -13.224 6.860 1.00 0.46 H new ATOM 0 HG21 ILE A 88 4.394 -13.977 9.055 1.00 0.45 H new ATOM 0 HG22 ILE A 88 4.456 -15.709 8.650 1.00 0.45 H new ATOM 0 HG23 ILE A 88 5.857 -14.923 9.416 1.00 0.45 H new ATOM 0 HD11 ILE A 88 6.119 -11.058 6.917 1.00 0.70 H new ATOM 0 HD12 ILE A 88 5.312 -12.193 5.809 1.00 0.70 H new ATOM 0 HD13 ILE A 88 4.634 -11.894 7.427 1.00 0.70 H new ATOM 1151 N GLY A 89 6.166 -17.367 8.369 1.00 0.38 N ATOM 1152 CA GLY A 89 6.589 -18.334 9.423 1.00 0.42 C ATOM 1153 C GLY A 89 7.710 -19.200 8.855 1.00 0.37 C ATOM 1154 O GLY A 89 8.622 -19.598 9.555 1.00 0.40 O ATOM 0 H GLY A 89 5.191 -17.443 8.078 1.00 0.38 H new ATOM 0 HA2 GLY A 89 6.932 -17.802 10.311 1.00 0.42 H new ATOM 0 HA3 GLY A 89 5.747 -18.955 9.729 1.00 0.42 H new ATOM 1158 N ARG A 90 7.652 -19.474 7.577 1.00 0.35 N ATOM 1159 CA ARG A 90 8.718 -20.293 6.937 1.00 0.35 C ATOM 1160 C ARG A 90 10.017 -19.488 6.896 1.00 0.31 C ATOM 1161 O ARG A 90 11.091 -20.018 7.118 1.00 0.33 O ATOM 1162 CB ARG A 90 8.218 -20.570 5.519 1.00 0.37 C ATOM 1163 CG ARG A 90 7.418 -21.873 5.498 1.00 0.42 C ATOM 1164 CD ARG A 90 7.041 -22.207 4.054 1.00 0.47 C ATOM 1165 NE ARG A 90 6.186 -23.426 4.146 1.00 0.47 N ATOM 1166 CZ ARG A 90 6.720 -24.583 4.438 1.00 0.70 C ATOM 1167 NH1 ARG A 90 7.894 -24.904 3.966 1.00 1.04 N ATOM 1168 NH2 ARG A 90 6.074 -25.422 5.201 1.00 1.13 N ATOM 0 H ARG A 90 6.910 -19.164 6.950 1.00 0.35 H new ATOM 0 HA ARG A 90 8.918 -21.218 7.479 1.00 0.35 H new ATOM 0 HB2 ARG A 90 7.595 -19.744 5.175 1.00 0.37 H new ATOM 0 HB3 ARG A 90 9.062 -20.639 4.833 1.00 0.37 H new ATOM 0 HG2 ARG A 90 8.007 -22.682 5.929 1.00 0.42 H new ATOM 0 HG3 ARG A 90 6.520 -21.772 6.107 1.00 0.42 H new ATOM 0 HD2 ARG A 90 6.503 -21.383 3.587 1.00 0.47 H new ATOM 0 HD3 ARG A 90 7.928 -22.393 3.448 1.00 0.47 H new ATOM 0 HE ARG A 90 5.182 -23.357 3.981 1.00 0.47 H new ATOM 0 HH11 ARG A 90 8.399 -24.251 3.367 1.00 1.04 H new ATOM 0 HH12 ARG A 90 8.307 -25.808 4.197 1.00 1.04 H new ATOM 0 HH21 ARG A 90 5.155 -25.174 5.568 1.00 1.13 H new ATOM 0 HH22 ARG A 90 6.488 -26.325 5.431 1.00 1.13 H new ATOM 1182 N MET A 91 9.919 -18.199 6.638 1.00 0.30 N ATOM 1183 CA MET A 91 11.140 -17.342 6.598 1.00 0.28 C ATOM 1184 C MET A 91 11.841 -17.447 7.943 1.00 0.27 C ATOM 1185 O MET A 91 13.052 -17.525 8.027 1.00 0.29 O ATOM 1186 CB MET A 91 10.632 -15.917 6.354 1.00 0.30 C ATOM 1187 CG MET A 91 11.577 -15.194 5.392 1.00 0.51 C ATOM 1188 SD MET A 91 11.195 -13.425 5.387 1.00 0.94 S ATOM 1189 CE MET A 91 9.708 -13.518 4.360 1.00 1.07 C ATOM 0 H MET A 91 9.043 -17.710 6.454 1.00 0.30 H new ATOM 0 HA MET A 91 11.849 -17.637 5.824 1.00 0.28 H new ATOM 0 HB2 MET A 91 9.625 -15.945 5.938 1.00 0.30 H new ATOM 0 HB3 MET A 91 10.572 -15.375 7.298 1.00 0.30 H new ATOM 0 HG2 MET A 91 12.612 -15.353 5.694 1.00 0.51 H new ATOM 0 HG3 MET A 91 11.472 -15.602 4.387 1.00 0.51 H new ATOM 0 HE1 MET A 91 9.882 -12.996 3.419 1.00 1.07 H new ATOM 0 HE2 MET A 91 9.471 -14.562 4.157 1.00 1.07 H new ATOM 0 HE3 MET A 91 8.874 -13.052 4.884 1.00 1.07 H new ATOM 1199 N LEU A 92 11.068 -17.486 8.993 1.00 0.29 N ATOM 1200 CA LEU A 92 11.652 -17.626 10.351 1.00 0.31 C ATOM 1201 C LEU A 92 12.320 -18.982 10.453 1.00 0.32 C ATOM 1202 O LEU A 92 13.409 -19.109 10.982 1.00 0.33 O ATOM 1203 CB LEU A 92 10.469 -17.500 11.292 1.00 0.36 C ATOM 1204 CG LEU A 92 9.936 -16.083 11.159 1.00 0.37 C ATOM 1205 CD1 LEU A 92 8.436 -16.061 11.464 1.00 0.43 C ATOM 1206 CD2 LEU A 92 10.675 -15.165 12.138 1.00 0.43 C ATOM 0 H LEU A 92 10.050 -17.426 8.965 1.00 0.29 H new ATOM 0 HA LEU A 92 12.412 -16.881 10.586 1.00 0.31 H new ATOM 0 HB2 LEU A 92 9.697 -18.227 11.038 1.00 0.36 H new ATOM 0 HB3 LEU A 92 10.772 -17.702 12.319 1.00 0.36 H new ATOM 0 HG LEU A 92 10.098 -15.732 10.140 1.00 0.37 H new ATOM 0 HD11 LEU A 92 8.060 -15.043 11.367 1.00 0.43 H new ATOM 0 HD12 LEU A 92 7.912 -16.710 10.762 1.00 0.43 H new ATOM 0 HD13 LEU A 92 8.266 -16.415 12.481 1.00 0.43 H new ATOM 0 HD21 LEU A 92 10.293 -14.149 12.043 1.00 0.43 H new ATOM 0 HD22 LEU A 92 10.517 -15.518 13.157 1.00 0.43 H new ATOM 0 HD23 LEU A 92 11.741 -15.174 11.911 1.00 0.43 H new ATOM 1218 N ASN A 93 11.695 -19.992 9.898 1.00 0.35 N ATOM 1219 CA ASN A 93 12.319 -21.343 9.905 1.00 0.37 C ATOM 1220 C ASN A 93 13.689 -21.224 9.235 1.00 0.34 C ATOM 1221 O ASN A 93 14.593 -21.993 9.498 1.00 0.38 O ATOM 1222 CB ASN A 93 11.376 -22.230 9.084 1.00 0.44 C ATOM 1223 CG ASN A 93 11.583 -23.714 9.428 1.00 0.70 C ATOM 1224 OD1 ASN A 93 12.173 -24.061 10.543 1.00 1.05 O flip ATOM 1225 ND2 ASN A 93 11.195 -24.575 8.665 1.00 1.04 N flip ATOM 0 H ASN A 93 10.784 -19.936 9.443 1.00 0.35 H new ATOM 0 HA ASN A 93 12.461 -21.758 10.903 1.00 0.37 H new ATOM 0 HB2 ASN A 93 10.342 -21.948 9.280 1.00 0.44 H new ATOM 0 HB3 ASN A 93 11.554 -22.071 8.020 1.00 0.44 H new ATOM 0 HD21 ASN A 93 10.734 -24.314 7.793 1.00 1.04 H new ATOM 0 HD22 ASN A 93 11.330 -25.559 8.896 1.00 1.04 H new ATOM 1232 N ILE A 94 13.843 -20.233 8.380 1.00 0.30 N ATOM 1233 CA ILE A 94 15.153 -20.023 7.699 1.00 0.30 C ATOM 1234 C ILE A 94 16.078 -19.181 8.582 1.00 0.27 C ATOM 1235 O ILE A 94 17.269 -19.428 8.633 1.00 0.33 O ATOM 1236 CB ILE A 94 14.865 -19.268 6.393 1.00 0.31 C ATOM 1237 CG1 ILE A 94 13.564 -19.777 5.759 1.00 0.34 C ATOM 1238 CG2 ILE A 94 16.034 -19.484 5.428 1.00 0.35 C ATOM 1239 CD1 ILE A 94 13.578 -19.544 4.243 1.00 0.47 C ATOM 0 H ILE A 94 13.114 -19.565 8.129 1.00 0.30 H new ATOM 0 HA ILE A 94 15.642 -20.977 7.505 1.00 0.30 H new ATOM 0 HB ILE A 94 14.752 -18.205 6.606 1.00 0.31 H new ATOM 0 HG12 ILE A 94 13.442 -20.840 5.968 1.00 0.34 H new ATOM 0 HG13 ILE A 94 12.711 -19.265 6.204 1.00 0.34 H new ATOM 0 HG21 ILE A 94 15.840 -18.952 4.497 1.00 0.35 H new ATOM 0 HG22 ILE A 94 16.952 -19.105 5.878 1.00 0.35 H new ATOM 0 HG23 ILE A 94 16.143 -20.549 5.222 1.00 0.35 H new ATOM 0 HD11 ILE A 94 12.648 -19.911 3.810 1.00 0.47 H new ATOM 0 HD12 ILE A 94 13.677 -18.478 4.040 1.00 0.47 H new ATOM 0 HD13 ILE A 94 14.419 -20.077 3.801 1.00 0.47 H new ATOM 1251 N LEU A 95 15.564 -18.177 9.272 1.00 0.25 N ATOM 1252 CA LEU A 95 16.482 -17.346 10.120 1.00 0.25 C ATOM 1253 C LEU A 95 16.514 -17.853 11.568 1.00 0.26 C ATOM 1254 O LEU A 95 17.033 -17.191 12.446 1.00 0.29 O ATOM 1255 CB LEU A 95 15.960 -15.907 10.046 1.00 0.28 C ATOM 1256 CG LEU A 95 14.508 -15.843 10.518 1.00 0.29 C ATOM 1257 CD1 LEU A 95 14.433 -15.141 11.877 1.00 0.39 C ATOM 1258 CD2 LEU A 95 13.679 -15.058 9.496 1.00 0.34 C ATOM 0 H LEU A 95 14.580 -17.907 9.283 1.00 0.25 H new ATOM 0 HA LEU A 95 17.508 -17.406 9.756 1.00 0.25 H new ATOM 0 HB2 LEU A 95 16.579 -15.256 10.664 1.00 0.28 H new ATOM 0 HB3 LEU A 95 16.033 -15.539 9.023 1.00 0.28 H new ATOM 0 HG LEU A 95 14.115 -16.855 10.614 1.00 0.29 H new ATOM 0 HD11 LEU A 95 13.395 -15.099 12.208 1.00 0.39 H new ATOM 0 HD12 LEU A 95 15.024 -15.695 12.606 1.00 0.39 H new ATOM 0 HD13 LEU A 95 14.826 -14.129 11.786 1.00 0.39 H new ATOM 0 HD21 LEU A 95 12.642 -15.010 9.829 1.00 0.34 H new ATOM 0 HD22 LEU A 95 14.078 -14.048 9.403 1.00 0.34 H new ATOM 0 HD23 LEU A 95 13.727 -15.557 8.528 1.00 0.34 H new ATOM 1270 N ASN A 96 15.988 -19.029 11.817 1.00 0.30 N ATOM 1271 CA ASN A 96 16.014 -19.591 13.205 1.00 0.34 C ATOM 1272 C ASN A 96 16.773 -20.924 13.221 1.00 0.36 C ATOM 1273 O ASN A 96 16.995 -21.506 14.267 1.00 0.40 O ATOM 1274 CB ASN A 96 14.551 -19.805 13.589 1.00 0.43 C ATOM 1275 CG ASN A 96 13.892 -18.451 13.861 1.00 0.51 C ATOM 1276 OD1 ASN A 96 12.662 -18.254 13.486 1.00 0.65 O flip ATOM 1277 ND2 ASN A 96 14.504 -17.564 14.424 1.00 0.57 N flip ATOM 0 H ASN A 96 15.542 -19.624 11.119 1.00 0.30 H new ATOM 0 HA ASN A 96 16.519 -18.925 13.904 1.00 0.34 H new ATOM 0 HB2 ASN A 96 14.025 -20.323 12.787 1.00 0.43 H new ATOM 0 HB3 ASN A 96 14.485 -20.438 14.474 1.00 0.43 H new ATOM 0 HD21 ASN A 96 15.468 -17.717 14.719 1.00 0.57 H new ATOM 0 HD22 ASN A 96 14.053 -16.667 14.602 1.00 0.57 H new ATOM 1738 N PRO B 43 12.420 0.654 11.943 1.00 0.44 N ATOM 1739 CA PRO B 43 11.534 -0.378 11.365 1.00 0.40 C ATOM 1740 C PRO B 43 12.347 -1.610 10.956 1.00 0.34 C ATOM 1741 O PRO B 43 11.986 -2.732 11.258 1.00 0.37 O ATOM 1742 CB PRO B 43 10.952 0.304 10.134 1.00 0.43 C ATOM 1743 CG PRO B 43 11.954 1.348 9.742 1.00 0.45 C ATOM 1744 CD PRO B 43 12.802 1.664 10.950 1.00 0.47 C ATOM 0 HA PRO B 43 10.772 -0.726 12.062 1.00 0.40 H new ATOM 0 HB2 PRO B 43 10.795 -0.411 9.327 1.00 0.43 H new ATOM 0 HB3 PRO B 43 9.984 0.753 10.355 1.00 0.43 H new ATOM 0 HG2 PRO B 43 12.577 0.988 8.923 1.00 0.45 H new ATOM 0 HG3 PRO B 43 11.448 2.246 9.387 1.00 0.45 H new ATOM 0 HD2 PRO B 43 13.865 1.607 10.715 1.00 0.47 H new ATOM 0 HD3 PRO B 43 12.611 2.673 11.316 1.00 0.47 H new ATOM 1752 N LEU B 44 13.437 -1.398 10.259 1.00 0.32 N ATOM 1753 CA LEU B 44 14.290 -2.537 9.798 1.00 0.30 C ATOM 1754 C LEU B 44 13.452 -3.549 9.015 1.00 0.28 C ATOM 1755 O LEU B 44 13.773 -4.720 8.943 1.00 0.40 O ATOM 1756 CB LEU B 44 14.856 -3.176 11.063 1.00 0.33 C ATOM 1757 CG LEU B 44 16.176 -3.863 10.709 1.00 0.42 C ATOM 1758 CD1 LEU B 44 17.220 -3.577 11.793 1.00 0.78 C ATOM 1759 CD2 LEU B 44 15.956 -5.375 10.593 1.00 0.64 C ATOM 0 H LEU B 44 13.775 -0.475 9.987 1.00 0.32 H new ATOM 0 HA LEU B 44 15.085 -2.198 9.133 1.00 0.30 H new ATOM 0 HB2 LEU B 44 15.017 -2.419 11.831 1.00 0.33 H new ATOM 0 HB3 LEU B 44 14.150 -3.899 11.471 1.00 0.33 H new ATOM 0 HG LEU B 44 16.535 -3.475 9.756 1.00 0.42 H new ATOM 0 HD11 LEU B 44 18.157 -4.069 11.534 1.00 0.78 H new ATOM 0 HD12 LEU B 44 17.383 -2.502 11.866 1.00 0.78 H new ATOM 0 HD13 LEU B 44 16.863 -3.956 12.751 1.00 0.78 H new ATOM 0 HD21 LEU B 44 16.898 -5.861 10.341 1.00 0.64 H new ATOM 0 HD22 LEU B 44 15.590 -5.763 11.543 1.00 0.64 H new ATOM 0 HD23 LEU B 44 15.223 -5.577 9.812 1.00 0.64 H new ATOM 1771 N LYS B 45 12.386 -3.092 8.425 1.00 0.24 N ATOM 1772 CA LYS B 45 11.509 -4.000 7.628 1.00 0.25 C ATOM 1773 C LYS B 45 11.760 -3.770 6.137 1.00 0.27 C ATOM 1774 O LYS B 45 11.683 -4.682 5.342 1.00 0.33 O ATOM 1775 CB LYS B 45 10.074 -3.624 8.019 1.00 0.28 C ATOM 1776 CG LYS B 45 9.766 -2.188 7.582 1.00 0.27 C ATOM 1777 CD LYS B 45 8.611 -1.633 8.420 1.00 0.31 C ATOM 1778 CE LYS B 45 7.345 -2.453 8.156 1.00 0.36 C ATOM 1779 NZ LYS B 45 6.250 -1.691 8.818 1.00 0.33 N ATOM 0 H LYS B 45 12.079 -2.120 8.459 1.00 0.24 H new ATOM 0 HA LYS B 45 11.702 -5.055 7.824 1.00 0.25 H new ATOM 0 HB2 LYS B 45 9.370 -4.313 7.553 1.00 0.28 H new ATOM 0 HB3 LYS B 45 9.946 -3.719 9.097 1.00 0.28 H new ATOM 0 HG2 LYS B 45 10.650 -1.562 7.704 1.00 0.27 H new ATOM 0 HG3 LYS B 45 9.504 -2.167 6.524 1.00 0.27 H new ATOM 0 HD2 LYS B 45 8.866 -1.670 9.479 1.00 0.31 H new ATOM 0 HD3 LYS B 45 8.437 -0.586 8.170 1.00 0.31 H new ATOM 0 HE2 LYS B 45 7.160 -2.562 7.087 1.00 0.36 H new ATOM 0 HE3 LYS B 45 7.432 -3.458 8.568 1.00 0.36 H new ATOM 0 HZ1 LYS B 45 5.570 -2.356 9.239 1.00 0.33 H new ATOM 0 HZ2 LYS B 45 6.650 -1.086 9.564 1.00 0.33 H new ATOM 0 HZ3 LYS B 45 5.765 -1.098 8.114 1.00 0.33 H new ATOM 1793 N LEU B 46 12.067 -2.548 5.770 1.00 0.26 N ATOM 1794 CA LEU B 46 12.351 -2.196 4.338 1.00 0.29 C ATOM 1795 C LEU B 46 13.081 -3.338 3.610 1.00 0.29 C ATOM 1796 O LEU B 46 12.777 -3.657 2.473 1.00 0.32 O ATOM 1797 CB LEU B 46 13.272 -0.969 4.428 1.00 0.31 C ATOM 1798 CG LEU B 46 12.682 0.208 3.642 1.00 0.42 C ATOM 1799 CD1 LEU B 46 12.470 -0.190 2.178 1.00 0.60 C ATOM 1800 CD2 LEU B 46 11.346 0.620 4.264 1.00 0.51 C ATOM 0 H LEU B 46 12.134 -1.762 6.416 1.00 0.26 H new ATOM 0 HA LEU B 46 11.434 -2.011 3.779 1.00 0.29 H new ATOM 0 HB2 LEU B 46 13.407 -0.685 5.472 1.00 0.31 H new ATOM 0 HB3 LEU B 46 14.258 -1.218 4.035 1.00 0.31 H new ATOM 0 HG LEU B 46 13.376 1.048 3.683 1.00 0.42 H new ATOM 0 HD11 LEU B 46 12.051 0.653 1.629 1.00 0.60 H new ATOM 0 HD12 LEU B 46 13.425 -0.472 1.736 1.00 0.60 H new ATOM 0 HD13 LEU B 46 11.783 -1.035 2.126 1.00 0.60 H new ATOM 0 HD21 LEU B 46 10.927 1.457 3.705 1.00 0.51 H new ATOM 0 HD22 LEU B 46 10.654 -0.222 4.230 1.00 0.51 H new ATOM 0 HD23 LEU B 46 11.504 0.919 5.300 1.00 0.51 H new ATOM 1812 N PHE B 47 14.033 -3.959 4.264 1.00 0.28 N ATOM 1813 CA PHE B 47 14.784 -5.076 3.623 1.00 0.29 C ATOM 1814 C PHE B 47 13.940 -6.342 3.677 1.00 0.28 C ATOM 1815 O PHE B 47 13.773 -7.037 2.692 1.00 0.31 O ATOM 1816 CB PHE B 47 16.057 -5.234 4.464 1.00 0.33 C ATOM 1817 CG PHE B 47 16.701 -6.571 4.169 1.00 0.31 C ATOM 1818 CD1 PHE B 47 16.939 -6.953 2.844 1.00 0.36 C ATOM 1819 CD2 PHE B 47 17.051 -7.429 5.219 1.00 0.36 C ATOM 1820 CE1 PHE B 47 17.528 -8.191 2.568 1.00 0.40 C ATOM 1821 CE2 PHE B 47 17.639 -8.668 4.942 1.00 0.38 C ATOM 1822 CZ PHE B 47 17.878 -9.049 3.617 1.00 0.38 C ATOM 0 H PHE B 47 14.321 -3.737 5.217 1.00 0.28 H new ATOM 0 HA PHE B 47 15.020 -4.885 2.576 1.00 0.29 H new ATOM 0 HB2 PHE B 47 16.754 -4.427 4.241 1.00 0.33 H new ATOM 0 HB3 PHE B 47 15.815 -5.162 5.524 1.00 0.33 H new ATOM 0 HD1 PHE B 47 16.668 -6.292 2.034 1.00 0.36 H new ATOM 0 HD2 PHE B 47 16.867 -7.135 6.242 1.00 0.36 H new ATOM 0 HE1 PHE B 47 17.713 -8.485 1.545 1.00 0.40 H new ATOM 0 HE2 PHE B 47 17.909 -9.331 5.751 1.00 0.38 H new ATOM 0 HZ PHE B 47 18.333 -10.005 3.404 1.00 0.38 H new ATOM 1832 N MET B 48 13.406 -6.634 4.829 1.00 0.31 N ATOM 1833 CA MET B 48 12.557 -7.844 4.986 1.00 0.33 C ATOM 1834 C MET B 48 11.402 -7.800 3.986 1.00 0.31 C ATOM 1835 O MET B 48 11.176 -8.735 3.248 1.00 0.34 O ATOM 1836 CB MET B 48 12.033 -7.763 6.418 1.00 0.37 C ATOM 1837 CG MET B 48 12.031 -9.158 7.036 1.00 0.47 C ATOM 1838 SD MET B 48 13.359 -9.294 8.259 1.00 0.48 S ATOM 1839 CE MET B 48 14.723 -8.830 7.165 1.00 0.47 C ATOM 0 H MET B 48 13.524 -6.079 5.677 1.00 0.31 H new ATOM 0 HA MET B 48 13.102 -8.770 4.802 1.00 0.33 H new ATOM 0 HB2 MET B 48 12.658 -7.093 7.008 1.00 0.37 H new ATOM 0 HB3 MET B 48 11.025 -7.348 6.425 1.00 0.37 H new ATOM 0 HG2 MET B 48 11.069 -9.354 7.509 1.00 0.47 H new ATOM 0 HG3 MET B 48 12.163 -9.910 6.258 1.00 0.47 H new ATOM 0 HE1 MET B 48 15.671 -9.099 7.631 1.00 0.47 H new ATOM 0 HE2 MET B 48 14.623 -9.356 6.215 1.00 0.47 H new ATOM 0 HE3 MET B 48 14.698 -7.755 6.989 1.00 0.47 H new ATOM 1849 N ALA B 49 10.680 -6.711 3.958 1.00 0.33 N ATOM 1850 CA ALA B 49 9.538 -6.582 3.006 1.00 0.33 C ATOM 1851 C ALA B 49 10.028 -6.745 1.565 1.00 0.32 C ATOM 1852 O ALA B 49 9.428 -7.451 0.777 1.00 0.36 O ATOM 1853 CB ALA B 49 8.989 -5.171 3.231 1.00 0.37 C ATOM 0 H ALA B 49 10.834 -5.900 4.558 1.00 0.33 H new ATOM 0 HA ALA B 49 8.777 -7.345 3.170 1.00 0.33 H new ATOM 0 HB1 ALA B 49 8.144 -4.999 2.565 1.00 0.37 H new ATOM 0 HB2 ALA B 49 8.662 -5.068 4.266 1.00 0.37 H new ATOM 0 HB3 ALA B 49 9.770 -4.439 3.023 1.00 0.37 H new ATOM 1859 N LEU B 50 11.112 -6.093 1.211 1.00 0.33 N ATOM 1860 CA LEU B 50 11.630 -6.213 -0.186 1.00 0.34 C ATOM 1861 C LEU B 50 11.977 -7.671 -0.513 1.00 0.34 C ATOM 1862 O LEU B 50 11.409 -8.260 -1.416 1.00 0.38 O ATOM 1863 CB LEU B 50 12.883 -5.339 -0.235 1.00 0.37 C ATOM 1864 CG LEU B 50 13.255 -5.071 -1.695 1.00 0.43 C ATOM 1865 CD1 LEU B 50 12.137 -4.271 -2.370 1.00 0.75 C ATOM 1866 CD2 LEU B 50 14.560 -4.274 -1.751 1.00 0.55 C ATOM 0 H LEU B 50 11.655 -5.488 1.826 1.00 0.33 H new ATOM 0 HA LEU B 50 10.887 -5.896 -0.918 1.00 0.34 H new ATOM 0 HB2 LEU B 50 12.705 -4.398 0.286 1.00 0.37 H new ATOM 0 HB3 LEU B 50 13.707 -5.836 0.277 1.00 0.37 H new ATOM 0 HG LEU B 50 13.386 -6.019 -2.216 1.00 0.43 H new ATOM 0 HD11 LEU B 50 12.403 -4.080 -3.410 1.00 0.75 H new ATOM 0 HD12 LEU B 50 11.208 -4.840 -2.331 1.00 0.75 H new ATOM 0 HD13 LEU B 50 12.003 -3.322 -1.850 1.00 0.75 H new ATOM 0 HD21 LEU B 50 14.825 -4.083 -2.791 1.00 0.55 H new ATOM 0 HD22 LEU B 50 14.430 -3.326 -1.230 1.00 0.55 H new ATOM 0 HD23 LEU B 50 15.356 -4.845 -1.273 1.00 0.55 H new ATOM 1878 N VAL B 51 12.902 -8.261 0.208 1.00 0.33 N ATOM 1879 CA VAL B 51 13.273 -9.677 -0.074 1.00 0.34 C ATOM 1880 C VAL B 51 12.045 -10.578 0.108 1.00 0.34 C ATOM 1881 O VAL B 51 11.879 -11.554 -0.597 1.00 0.40 O ATOM 1882 CB VAL B 51 14.392 -10.010 0.927 1.00 0.34 C ATOM 1883 CG1 VAL B 51 14.510 -11.522 1.103 1.00 0.50 C ATOM 1884 CG2 VAL B 51 15.719 -9.461 0.397 1.00 0.58 C ATOM 0 H VAL B 51 13.411 -7.822 0.975 1.00 0.33 H new ATOM 0 HA VAL B 51 13.616 -9.833 -1.097 1.00 0.34 H new ATOM 0 HB VAL B 51 14.156 -9.557 1.890 1.00 0.34 H new ATOM 0 HG11 VAL B 51 15.306 -11.745 1.814 1.00 0.50 H new ATOM 0 HG12 VAL B 51 13.567 -11.919 1.478 1.00 0.50 H new ATOM 0 HG13 VAL B 51 14.742 -11.983 0.143 1.00 0.50 H new ATOM 0 HG21 VAL B 51 16.517 -9.694 1.102 1.00 0.58 H new ATOM 0 HG22 VAL B 51 15.942 -9.918 -0.567 1.00 0.58 H new ATOM 0 HG23 VAL B 51 15.644 -8.380 0.278 1.00 0.58 H new ATOM 1894 N ALA B 52 11.174 -10.247 1.032 1.00 0.31 N ATOM 1895 CA ALA B 52 9.947 -11.078 1.240 1.00 0.33 C ATOM 1896 C ALA B 52 9.068 -11.004 -0.009 1.00 0.32 C ATOM 1897 O ALA B 52 8.593 -12.010 -0.503 1.00 0.37 O ATOM 1898 CB ALA B 52 9.226 -10.458 2.436 1.00 0.37 C ATOM 0 H ALA B 52 11.260 -9.439 1.649 1.00 0.31 H new ATOM 0 HA ALA B 52 10.183 -12.127 1.420 1.00 0.33 H new ATOM 0 HB1 ALA B 52 8.315 -11.020 2.643 1.00 0.37 H new ATOM 0 HB2 ALA B 52 9.878 -10.488 3.309 1.00 0.37 H new ATOM 0 HB3 ALA B 52 8.970 -9.423 2.210 1.00 0.37 H new ATOM 1904 N PHE B 53 8.866 -9.815 -0.530 1.00 0.33 N ATOM 1905 CA PHE B 53 8.038 -9.657 -1.766 1.00 0.34 C ATOM 1906 C PHE B 53 8.585 -10.589 -2.848 1.00 0.34 C ATOM 1907 O PHE B 53 7.884 -11.438 -3.376 1.00 0.35 O ATOM 1908 CB PHE B 53 8.206 -8.187 -2.167 1.00 0.40 C ATOM 1909 CG PHE B 53 7.561 -7.941 -3.510 1.00 0.38 C ATOM 1910 CD1 PHE B 53 6.214 -8.263 -3.711 1.00 0.47 C ATOM 1911 CD2 PHE B 53 8.313 -7.391 -4.555 1.00 0.68 C ATOM 1912 CE1 PHE B 53 5.618 -8.033 -4.958 1.00 0.51 C ATOM 1913 CE2 PHE B 53 7.718 -7.162 -5.801 1.00 0.74 C ATOM 1914 CZ PHE B 53 6.371 -7.483 -6.002 1.00 0.52 C ATOM 0 H PHE B 53 9.241 -8.946 -0.150 1.00 0.33 H new ATOM 0 HA PHE B 53 6.988 -9.908 -1.619 1.00 0.34 H new ATOM 0 HB2 PHE B 53 7.754 -7.542 -1.414 1.00 0.40 H new ATOM 0 HB3 PHE B 53 9.265 -7.932 -2.211 1.00 0.40 H new ATOM 0 HD1 PHE B 53 5.634 -8.689 -2.905 1.00 0.47 H new ATOM 0 HD2 PHE B 53 9.353 -7.143 -4.400 1.00 0.68 H new ATOM 0 HE1 PHE B 53 4.578 -8.280 -5.114 1.00 0.51 H new ATOM 0 HE2 PHE B 53 8.298 -6.738 -6.607 1.00 0.74 H new ATOM 0 HZ PHE B 53 5.912 -7.306 -6.963 1.00 0.52 H new ATOM 1924 N LEU B 54 9.850 -10.463 -3.152 1.00 0.36 N ATOM 1925 CA LEU B 54 10.459 -11.364 -4.167 1.00 0.39 C ATOM 1926 C LEU B 54 10.293 -12.812 -3.695 1.00 0.38 C ATOM 1927 O LEU B 54 10.053 -13.706 -4.480 1.00 0.41 O ATOM 1928 CB LEU B 54 11.936 -10.966 -4.220 1.00 0.43 C ATOM 1929 CG LEU B 54 12.142 -9.853 -5.254 1.00 0.48 C ATOM 1930 CD1 LEU B 54 11.747 -10.361 -6.643 1.00 0.56 C ATOM 1931 CD2 LEU B 54 11.276 -8.644 -4.890 1.00 0.60 C ATOM 0 H LEU B 54 10.484 -9.777 -2.742 1.00 0.36 H new ATOM 0 HA LEU B 54 9.998 -11.282 -5.151 1.00 0.39 H new ATOM 0 HB2 LEU B 54 12.265 -10.627 -3.238 1.00 0.43 H new ATOM 0 HB3 LEU B 54 12.545 -11.832 -4.479 1.00 0.43 H new ATOM 0 HG LEU B 54 13.192 -9.559 -5.259 1.00 0.48 H new ATOM 0 HD11 LEU B 54 11.894 -9.568 -7.376 1.00 0.56 H new ATOM 0 HD12 LEU B 54 12.366 -11.218 -6.907 1.00 0.56 H new ATOM 0 HD13 LEU B 54 10.699 -10.659 -6.637 1.00 0.56 H new ATOM 0 HD21 LEU B 54 11.425 -7.855 -5.627 1.00 0.60 H new ATOM 0 HD22 LEU B 54 10.226 -8.938 -4.880 1.00 0.60 H new ATOM 0 HD23 LEU B 54 11.559 -8.277 -3.903 1.00 0.60 H new ATOM 1943 N ARG B 55 10.394 -13.032 -2.404 1.00 0.36 N ATOM 1944 CA ARG B 55 10.223 -14.411 -1.854 1.00 0.38 C ATOM 1945 C ARG B 55 8.752 -14.839 -1.936 1.00 0.36 C ATOM 1946 O ARG B 55 8.418 -15.987 -1.710 1.00 0.43 O ATOM 1947 CB ARG B 55 10.679 -14.326 -0.395 1.00 0.39 C ATOM 1948 CG ARG B 55 10.929 -15.735 0.147 1.00 0.41 C ATOM 1949 CD ARG B 55 9.733 -16.180 0.992 1.00 0.45 C ATOM 1950 NE ARG B 55 9.733 -17.667 0.902 1.00 0.47 N ATOM 1951 CZ ARG B 55 8.603 -18.318 0.863 1.00 0.46 C ATOM 1952 NH1 ARG B 55 7.897 -18.336 -0.234 1.00 0.49 N ATOM 1953 NH2 ARG B 55 8.180 -18.953 1.922 1.00 0.51 N ATOM 0 H ARG B 55 10.588 -12.312 -1.708 1.00 0.36 H new ATOM 0 HA ARG B 55 10.799 -15.148 -2.414 1.00 0.38 H new ATOM 0 HB2 ARG B 55 11.589 -13.730 -0.322 1.00 0.39 H new ATOM 0 HB3 ARG B 55 9.920 -13.824 0.205 1.00 0.39 H new ATOM 0 HG2 ARG B 55 11.083 -16.431 -0.678 1.00 0.41 H new ATOM 0 HG3 ARG B 55 11.837 -15.748 0.749 1.00 0.41 H new ATOM 0 HD2 ARG B 55 9.833 -15.847 2.025 1.00 0.45 H new ATOM 0 HD3 ARG B 55 8.802 -15.761 0.611 1.00 0.45 H new ATOM 0 HE ARG B 55 10.616 -18.176 0.871 1.00 0.47 H new ATOM 0 HH11 ARG B 55 8.228 -17.841 -1.062 1.00 0.49 H new ATOM 0 HH12 ARG B 55 7.014 -18.845 -0.264 1.00 0.49 H new ATOM 0 HH21 ARG B 55 8.733 -18.940 2.779 1.00 0.51 H new ATOM 0 HH22 ARG B 55 7.297 -19.462 1.892 1.00 0.51 H new ATOM 1967 N PHE B 56 7.872 -13.928 -2.261 1.00 0.34 N ATOM 1968 CA PHE B 56 6.428 -14.288 -2.366 1.00 0.35 C ATOM 1969 C PHE B 56 6.065 -14.579 -3.823 1.00 0.38 C ATOM 1970 O PHE B 56 5.081 -15.239 -4.101 1.00 0.42 O ATOM 1971 CB PHE B 56 5.662 -13.054 -1.880 1.00 0.33 C ATOM 1972 CG PHE B 56 5.719 -12.932 -0.367 1.00 0.37 C ATOM 1973 CD1 PHE B 56 6.523 -13.790 0.406 1.00 0.43 C ATOM 1974 CD2 PHE B 56 4.955 -11.943 0.263 1.00 0.82 C ATOM 1975 CE1 PHE B 56 6.556 -13.652 1.799 1.00 0.44 C ATOM 1976 CE2 PHE B 56 4.990 -11.807 1.656 1.00 1.00 C ATOM 1977 CZ PHE B 56 5.789 -12.661 2.423 1.00 0.69 C ATOM 0 H PHE B 56 8.091 -12.951 -2.458 1.00 0.34 H new ATOM 0 HA PHE B 56 6.189 -15.176 -1.781 1.00 0.35 H new ATOM 0 HB2 PHE B 56 6.084 -12.158 -2.336 1.00 0.33 H new ATOM 0 HB3 PHE B 56 4.623 -13.117 -2.203 1.00 0.33 H new ATOM 0 HD1 PHE B 56 7.115 -14.555 -0.075 1.00 0.43 H new ATOM 0 HD2 PHE B 56 4.337 -11.283 -0.327 1.00 0.82 H new ATOM 0 HE1 PHE B 56 7.173 -14.310 2.392 1.00 0.44 H new ATOM 0 HE2 PHE B 56 4.400 -11.042 2.139 1.00 1.00 H new ATOM 0 HZ PHE B 56 5.814 -12.556 3.498 1.00 0.69 H new ATOM 1987 N LEU B 57 6.831 -14.064 -4.756 1.00 0.38 N ATOM 1988 CA LEU B 57 6.497 -14.286 -6.198 1.00 0.43 C ATOM 1989 C LEU B 57 7.429 -15.310 -6.866 1.00 0.48 C ATOM 1990 O LEU B 57 6.986 -16.114 -7.665 1.00 0.55 O ATOM 1991 CB LEU B 57 6.654 -12.912 -6.858 1.00 0.47 C ATOM 1992 CG LEU B 57 6.008 -11.828 -5.981 1.00 0.45 C ATOM 1993 CD1 LEU B 57 6.142 -10.463 -6.664 1.00 0.57 C ATOM 1994 CD2 LEU B 57 4.524 -12.150 -5.755 1.00 0.54 C ATOM 0 H LEU B 57 7.666 -13.504 -4.583 1.00 0.38 H new ATOM 0 HA LEU B 57 5.492 -14.695 -6.304 1.00 0.43 H new ATOM 0 HB2 LEU B 57 7.711 -12.689 -7.005 1.00 0.47 H new ATOM 0 HB3 LEU B 57 6.189 -12.918 -7.844 1.00 0.47 H new ATOM 0 HG LEU B 57 6.517 -11.801 -5.017 1.00 0.45 H new ATOM 0 HD11 LEU B 57 5.683 -9.697 -6.039 1.00 0.57 H new ATOM 0 HD12 LEU B 57 7.197 -10.230 -6.807 1.00 0.57 H new ATOM 0 HD13 LEU B 57 5.642 -10.490 -7.632 1.00 0.57 H new ATOM 0 HD21 LEU B 57 4.075 -11.376 -5.132 1.00 0.54 H new ATOM 0 HD22 LEU B 57 4.009 -12.187 -6.715 1.00 0.54 H new ATOM 0 HD23 LEU B 57 4.433 -13.115 -5.257 1.00 0.54 H new ATOM 2006 N THR B 58 8.710 -15.282 -6.578 1.00 0.48 N ATOM 2007 CA THR B 58 9.638 -16.254 -7.244 1.00 0.54 C ATOM 2008 C THR B 58 10.774 -16.710 -6.311 1.00 0.51 C ATOM 2009 O THR B 58 11.517 -17.616 -6.639 1.00 0.55 O ATOM 2010 CB THR B 58 10.205 -15.478 -8.435 1.00 0.61 C ATOM 2011 OG1 THR B 58 9.147 -15.131 -9.317 1.00 0.89 O ATOM 2012 CG2 THR B 58 11.224 -16.343 -9.174 1.00 0.76 C ATOM 0 H THR B 58 9.149 -14.638 -5.920 1.00 0.48 H new ATOM 0 HA THR B 58 9.117 -17.167 -7.533 1.00 0.54 H new ATOM 0 HB THR B 58 10.695 -14.572 -8.078 1.00 0.61 H new ATOM 0 HG1 THR B 58 9.507 -14.632 -10.080 1.00 0.89 H new ATOM 0 HG21 THR B 58 11.626 -15.788 -10.022 1.00 0.76 H new ATOM 0 HG22 THR B 58 12.035 -16.608 -8.496 1.00 0.76 H new ATOM 0 HG23 THR B 58 10.739 -17.251 -9.532 1.00 0.76 H new ATOM 2020 N ILE B 59 10.915 -16.095 -5.165 1.00 0.45 N ATOM 2021 CA ILE B 59 11.999 -16.486 -4.209 1.00 0.43 C ATOM 2022 C ILE B 59 13.384 -16.479 -4.886 1.00 0.47 C ATOM 2023 O ILE B 59 14.058 -17.492 -4.928 1.00 0.53 O ATOM 2024 CB ILE B 59 11.628 -17.894 -3.730 1.00 0.46 C ATOM 2025 CG1 ILE B 59 10.287 -17.848 -2.996 1.00 0.45 C ATOM 2026 CG2 ILE B 59 12.709 -18.412 -2.772 1.00 0.50 C ATOM 2027 CD1 ILE B 59 9.141 -17.913 -4.008 1.00 0.48 C ATOM 0 H ILE B 59 10.320 -15.330 -4.846 1.00 0.45 H new ATOM 0 HA ILE B 59 12.072 -15.780 -3.382 1.00 0.43 H new ATOM 0 HB ILE B 59 11.552 -18.558 -4.591 1.00 0.46 H new ATOM 0 HG12 ILE B 59 10.215 -18.682 -2.297 1.00 0.45 H new ATOM 0 HG13 ILE B 59 10.214 -16.933 -2.409 1.00 0.45 H new ATOM 0 HG21 ILE B 59 12.444 -19.413 -2.432 1.00 0.50 H new ATOM 0 HG22 ILE B 59 13.668 -18.446 -3.289 1.00 0.50 H new ATOM 0 HG23 ILE B 59 12.784 -17.745 -1.913 1.00 0.50 H new ATOM 0 HD11 ILE B 59 8.188 -17.880 -3.481 1.00 0.48 H new ATOM 0 HD12 ILE B 59 9.209 -17.065 -4.689 1.00 0.48 H new ATOM 0 HD13 ILE B 59 9.209 -18.841 -4.576 1.00 0.48 H new ATOM 2039 N PRO B 60 13.776 -15.326 -5.375 1.00 0.48 N ATOM 2040 CA PRO B 60 15.092 -15.147 -6.011 1.00 0.53 C ATOM 2041 C PRO B 60 16.033 -14.375 -5.055 1.00 0.49 C ATOM 2042 O PRO B 60 16.428 -13.263 -5.358 1.00 0.53 O ATOM 2043 CB PRO B 60 14.728 -14.262 -7.203 1.00 0.62 C ATOM 2044 CG PRO B 60 13.475 -13.524 -6.782 1.00 0.59 C ATOM 2045 CD PRO B 60 13.043 -14.077 -5.438 1.00 0.48 C ATOM 0 HA PRO B 60 15.600 -16.075 -6.273 1.00 0.53 H new ATOM 0 HB2 PRO B 60 15.534 -13.567 -7.438 1.00 0.62 H new ATOM 0 HB3 PRO B 60 14.551 -14.859 -8.097 1.00 0.62 H new ATOM 0 HG2 PRO B 60 13.667 -12.453 -6.711 1.00 0.59 H new ATOM 0 HG3 PRO B 60 12.686 -13.658 -7.522 1.00 0.59 H new ATOM 0 HD2 PRO B 60 13.306 -13.408 -4.618 1.00 0.48 H new ATOM 0 HD3 PRO B 60 11.965 -14.234 -5.389 1.00 0.48 H new ATOM 2053 N PRO B 61 16.351 -14.960 -3.918 1.00 0.45 N ATOM 2054 CA PRO B 61 17.227 -14.264 -2.942 1.00 0.43 C ATOM 2055 C PRO B 61 18.658 -14.165 -3.470 1.00 0.44 C ATOM 2056 O PRO B 61 19.336 -15.161 -3.643 1.00 0.49 O ATOM 2057 CB PRO B 61 17.165 -15.144 -1.700 1.00 0.44 C ATOM 2058 CG PRO B 61 16.811 -16.497 -2.212 1.00 0.46 C ATOM 2059 CD PRO B 61 15.955 -16.288 -3.434 1.00 0.48 C ATOM 0 HA PRO B 61 16.908 -13.240 -2.746 1.00 0.43 H new ATOM 0 HB2 PRO B 61 18.121 -15.157 -1.176 1.00 0.44 H new ATOM 0 HB3 PRO B 61 16.419 -14.780 -0.994 1.00 0.44 H new ATOM 0 HG2 PRO B 61 17.708 -17.064 -2.461 1.00 0.46 H new ATOM 0 HG3 PRO B 61 16.273 -17.068 -1.456 1.00 0.46 H new ATOM 0 HD2 PRO B 61 16.135 -17.057 -4.185 1.00 0.48 H new ATOM 0 HD3 PRO B 61 14.893 -16.324 -3.189 1.00 0.48 H new ATOM 2067 N THR B 62 19.121 -12.968 -3.720 1.00 0.43 N ATOM 2068 CA THR B 62 20.512 -12.786 -4.231 1.00 0.47 C ATOM 2069 C THR B 62 21.511 -13.381 -3.227 1.00 0.44 C ATOM 2070 O THR B 62 21.153 -13.716 -2.115 1.00 0.44 O ATOM 2071 CB THR B 62 20.677 -11.261 -4.386 1.00 0.51 C ATOM 2072 OG1 THR B 62 21.038 -10.968 -5.728 1.00 0.57 O ATOM 2073 CG2 THR B 62 21.759 -10.727 -3.445 1.00 0.52 C ATOM 0 H THR B 62 18.593 -12.105 -3.592 1.00 0.43 H new ATOM 0 HA THR B 62 20.696 -13.294 -5.178 1.00 0.47 H new ATOM 0 HB THR B 62 19.732 -10.781 -4.132 1.00 0.51 H new ATOM 0 HG1 THR B 62 21.143 -9.999 -5.834 1.00 0.57 H new ATOM 0 HG21 THR B 62 21.855 -9.649 -3.575 1.00 0.52 H new ATOM 0 HG22 THR B 62 21.484 -10.945 -2.413 1.00 0.52 H new ATOM 0 HG23 THR B 62 22.711 -11.206 -3.676 1.00 0.52 H new ATOM 2081 N ALA B 63 22.753 -13.524 -3.621 1.00 0.49 N ATOM 2082 CA ALA B 63 23.786 -14.111 -2.707 1.00 0.49 C ATOM 2083 C ALA B 63 23.819 -13.374 -1.363 1.00 0.45 C ATOM 2084 O ALA B 63 23.877 -13.987 -0.313 1.00 0.46 O ATOM 2085 CB ALA B 63 25.113 -13.929 -3.445 1.00 0.55 C ATOM 0 H ALA B 63 23.099 -13.258 -4.543 1.00 0.49 H new ATOM 0 HA ALA B 63 23.575 -15.156 -2.480 1.00 0.49 H new ATOM 0 HB1 ALA B 63 25.924 -14.335 -2.840 1.00 0.55 H new ATOM 0 HB2 ALA B 63 25.074 -14.455 -4.399 1.00 0.55 H new ATOM 0 HB3 ALA B 63 25.288 -12.868 -3.622 1.00 0.55 H new ATOM 2091 N GLY B 64 23.795 -12.067 -1.394 1.00 0.45 N ATOM 2092 CA GLY B 64 23.837 -11.274 -0.129 1.00 0.44 C ATOM 2093 C GLY B 64 22.693 -11.688 0.801 1.00 0.40 C ATOM 2094 O GLY B 64 22.884 -11.842 1.985 1.00 0.40 O ATOM 0 H GLY B 64 23.748 -11.511 -2.248 1.00 0.45 H new ATOM 0 HA2 GLY B 64 24.793 -11.426 0.371 1.00 0.44 H new ATOM 0 HA3 GLY B 64 23.762 -10.211 -0.357 1.00 0.44 H new ATOM 2098 N ILE B 65 21.508 -11.858 0.277 1.00 0.39 N ATOM 2099 CA ILE B 65 20.343 -12.251 1.131 1.00 0.36 C ATOM 2100 C ILE B 65 20.676 -13.489 1.972 1.00 0.36 C ATOM 2101 O ILE B 65 20.320 -13.563 3.131 1.00 0.38 O ATOM 2102 CB ILE B 65 19.196 -12.551 0.152 1.00 0.37 C ATOM 2103 CG1 ILE B 65 18.962 -11.345 -0.772 1.00 0.39 C ATOM 2104 CG2 ILE B 65 17.909 -12.837 0.936 1.00 0.38 C ATOM 2105 CD1 ILE B 65 18.917 -10.060 0.058 1.00 0.41 C ATOM 0 H ILE B 65 21.293 -11.741 -0.713 1.00 0.39 H new ATOM 0 HA ILE B 65 20.077 -11.461 1.834 1.00 0.36 H new ATOM 0 HB ILE B 65 19.465 -13.421 -0.447 1.00 0.37 H new ATOM 0 HG12 ILE B 65 19.759 -11.283 -1.513 1.00 0.39 H new ATOM 0 HG13 ILE B 65 18.027 -11.469 -1.318 1.00 0.39 H new ATOM 0 HG21 ILE B 65 17.098 -13.049 0.239 1.00 0.38 H new ATOM 0 HG22 ILE B 65 18.063 -13.698 1.587 1.00 0.38 H new ATOM 0 HG23 ILE B 65 17.650 -11.967 1.540 1.00 0.38 H new ATOM 0 HD11 ILE B 65 18.751 -9.207 -0.600 1.00 0.41 H new ATOM 0 HD12 ILE B 65 18.105 -10.123 0.782 1.00 0.41 H new ATOM 0 HD13 ILE B 65 19.863 -9.933 0.584 1.00 0.41 H new ATOM 2117 N LEU B 66 21.362 -14.452 1.405 1.00 0.37 N ATOM 2118 CA LEU B 66 21.716 -15.678 2.188 1.00 0.38 C ATOM 2119 C LEU B 66 22.959 -15.418 3.041 1.00 0.37 C ATOM 2120 O LEU B 66 22.963 -15.663 4.233 1.00 0.41 O ATOM 2121 CB LEU B 66 22.005 -16.776 1.153 1.00 0.44 C ATOM 2122 CG LEU B 66 20.728 -17.169 0.391 1.00 0.49 C ATOM 2123 CD1 LEU B 66 19.532 -17.258 1.346 1.00 0.62 C ATOM 2124 CD2 LEU B 66 20.444 -16.125 -0.688 1.00 0.47 C ATOM 0 H LEU B 66 21.691 -14.443 0.439 1.00 0.37 H new ATOM 0 HA LEU B 66 20.910 -15.967 2.862 1.00 0.38 H new ATOM 0 HB2 LEU B 66 22.760 -16.426 0.448 1.00 0.44 H new ATOM 0 HB3 LEU B 66 22.418 -17.652 1.653 1.00 0.44 H new ATOM 0 HG LEU B 66 20.879 -18.147 -0.067 1.00 0.49 H new ATOM 0 HD11 LEU B 66 18.639 -17.537 0.786 1.00 0.62 H new ATOM 0 HD12 LEU B 66 19.731 -18.010 2.110 1.00 0.62 H new ATOM 0 HD13 LEU B 66 19.374 -16.290 1.822 1.00 0.62 H new ATOM 0 HD21 LEU B 66 19.540 -16.400 -1.231 1.00 0.47 H new ATOM 0 HD22 LEU B 66 20.306 -15.149 -0.223 1.00 0.47 H new ATOM 0 HD23 LEU B 66 21.284 -16.081 -1.381 1.00 0.47 H new ATOM 2136 N LYS B 67 24.013 -14.923 2.439 1.00 0.37 N ATOM 2137 CA LYS B 67 25.262 -14.640 3.212 1.00 0.38 C ATOM 2138 C LYS B 67 24.950 -13.694 4.373 1.00 0.35 C ATOM 2139 O LYS B 67 25.461 -13.846 5.467 1.00 0.39 O ATOM 2140 CB LYS B 67 26.207 -13.971 2.214 1.00 0.44 C ATOM 2141 CG LYS B 67 26.982 -15.043 1.445 1.00 0.52 C ATOM 2142 CD LYS B 67 28.067 -15.635 2.346 1.00 0.64 C ATOM 2143 CE LYS B 67 29.143 -14.579 2.617 1.00 0.80 C ATOM 2144 NZ LYS B 67 29.336 -14.597 4.094 1.00 0.90 N ATOM 0 H LYS B 67 24.062 -14.703 1.444 1.00 0.37 H new ATOM 0 HA LYS B 67 25.700 -15.542 3.639 1.00 0.38 H new ATOM 0 HB2 LYS B 67 25.640 -13.350 1.521 1.00 0.44 H new ATOM 0 HB3 LYS B 67 26.900 -13.313 2.738 1.00 0.44 H new ATOM 0 HG2 LYS B 67 26.303 -15.828 1.111 1.00 0.52 H new ATOM 0 HG3 LYS B 67 27.433 -14.610 0.552 1.00 0.52 H new ATOM 0 HD2 LYS B 67 27.629 -15.972 3.286 1.00 0.64 H new ATOM 0 HD3 LYS B 67 28.512 -16.509 1.870 1.00 0.64 H new ATOM 0 HE2 LYS B 67 30.070 -14.817 2.095 1.00 0.80 H new ATOM 0 HE3 LYS B 67 28.826 -13.595 2.272 1.00 0.80 H new ATOM 0 HZ1 LYS B 67 30.060 -13.898 4.358 1.00 0.90 H new ATOM 0 HZ2 LYS B 67 28.439 -14.361 4.564 1.00 0.90 H new ATOM 0 HZ3 LYS B 67 29.644 -15.544 4.392 1.00 0.90 H new ATOM 2158 N ARG B 68 24.102 -12.727 4.137 1.00 0.33 N ATOM 2159 CA ARG B 68 23.728 -11.768 5.212 1.00 0.32 C ATOM 2160 C ARG B 68 22.717 -12.435 6.157 1.00 0.29 C ATOM 2161 O ARG B 68 22.658 -12.133 7.333 1.00 0.29 O ATOM 2162 CB ARG B 68 23.129 -10.554 4.475 1.00 0.34 C ATOM 2163 CG ARG B 68 21.622 -10.727 4.261 1.00 0.33 C ATOM 2164 CD ARG B 68 21.113 -9.612 3.341 1.00 0.35 C ATOM 2165 NE ARG B 68 20.949 -8.427 4.227 1.00 0.37 N ATOM 2166 CZ ARG B 68 21.970 -7.656 4.481 1.00 0.36 C ATOM 2167 NH1 ARG B 68 22.530 -6.976 3.519 1.00 0.40 N ATOM 2168 NH2 ARG B 68 22.432 -7.567 5.698 1.00 0.39 N ATOM 0 H ARG B 68 23.650 -12.562 3.238 1.00 0.33 H new ATOM 0 HA ARG B 68 24.570 -11.460 5.832 1.00 0.32 H new ATOM 0 HB2 ARG B 68 23.316 -9.647 5.050 1.00 0.34 H new ATOM 0 HB3 ARG B 68 23.624 -10.429 3.512 1.00 0.34 H new ATOM 0 HG2 ARG B 68 21.415 -11.702 3.820 1.00 0.33 H new ATOM 0 HG3 ARG B 68 21.100 -10.692 5.217 1.00 0.33 H new ATOM 0 HD2 ARG B 68 21.821 -9.409 2.537 1.00 0.35 H new ATOM 0 HD3 ARG B 68 20.169 -9.888 2.872 1.00 0.35 H new ATOM 0 HE ARG B 68 20.038 -8.218 4.636 1.00 0.37 H new ATOM 0 HH11 ARG B 68 22.170 -7.047 2.567 1.00 0.40 H new ATOM 0 HH12 ARG B 68 23.328 -6.373 3.718 1.00 0.40 H new ATOM 0 HH21 ARG B 68 21.995 -8.100 6.450 1.00 0.39 H new ATOM 0 HH22 ARG B 68 23.230 -6.964 5.898 1.00 0.39 H new ATOM 2182 N TRP B 69 21.933 -13.347 5.634 1.00 0.29 N ATOM 2183 CA TRP B 69 20.911 -14.073 6.458 1.00 0.27 C ATOM 2184 C TRP B 69 21.504 -14.600 7.773 1.00 0.26 C ATOM 2185 O TRP B 69 20.830 -14.647 8.785 1.00 0.28 O ATOM 2186 CB TRP B 69 20.506 -15.255 5.582 1.00 0.28 C ATOM 2187 CG TRP B 69 19.121 -15.699 5.911 1.00 0.25 C ATOM 2188 CD1 TRP B 69 18.801 -16.929 6.369 1.00 0.29 C ATOM 2189 CD2 TRP B 69 17.867 -14.961 5.805 1.00 0.24 C ATOM 2190 NE1 TRP B 69 17.436 -16.997 6.550 1.00 0.29 N ATOM 2191 CE2 TRP B 69 16.814 -15.814 6.216 1.00 0.26 C ATOM 2192 CE3 TRP B 69 17.536 -13.652 5.397 1.00 0.28 C ATOM 2193 CZ2 TRP B 69 15.489 -15.389 6.221 1.00 0.29 C ATOM 2194 CZ3 TRP B 69 16.200 -13.226 5.403 1.00 0.31 C ATOM 2195 CH2 TRP B 69 15.182 -14.095 5.813 1.00 0.31 C ATOM 0 H TRP B 69 21.958 -13.625 4.653 1.00 0.29 H new ATOM 0 HA TRP B 69 20.084 -13.419 6.734 1.00 0.27 H new ATOM 0 HB2 TRP B 69 20.564 -14.973 4.531 1.00 0.28 H new ATOM 0 HB3 TRP B 69 21.203 -16.080 5.729 1.00 0.28 H new ATOM 0 HD1 TRP B 69 19.501 -17.729 6.562 1.00 0.29 H new ATOM 0 HE1 TRP B 69 16.945 -17.824 6.890 1.00 0.29 H new ATOM 0 HE3 TRP B 69 18.315 -12.975 5.079 1.00 0.28 H new ATOM 0 HZ2 TRP B 69 14.704 -16.059 6.539 1.00 0.29 H new ATOM 0 HZ3 TRP B 69 15.955 -12.222 5.090 1.00 0.31 H new ATOM 0 HH2 TRP B 69 14.155 -13.760 5.813 1.00 0.31 H new ATOM 2206 N GLY B 70 22.744 -15.023 7.757 1.00 0.29 N ATOM 2207 CA GLY B 70 23.365 -15.580 8.997 1.00 0.32 C ATOM 2208 C GLY B 70 24.321 -14.566 9.624 1.00 0.34 C ATOM 2209 O GLY B 70 25.366 -14.928 10.131 1.00 0.43 O ATOM 0 H GLY B 70 23.352 -15.006 6.939 1.00 0.29 H new ATOM 0 HA2 GLY B 70 22.586 -15.844 9.713 1.00 0.32 H new ATOM 0 HA3 GLY B 70 23.904 -16.497 8.759 1.00 0.32 H new ATOM 2213 N THR B 71 23.973 -13.306 9.609 1.00 0.32 N ATOM 2214 CA THR B 71 24.870 -12.284 10.223 1.00 0.39 C ATOM 2215 C THR B 71 24.145 -10.942 10.381 1.00 0.44 C ATOM 2216 O THR B 71 24.766 -9.896 10.409 1.00 0.76 O ATOM 2217 CB THR B 71 26.055 -12.157 9.261 1.00 0.45 C ATOM 2218 OG1 THR B 71 26.991 -11.225 9.784 1.00 0.62 O ATOM 2219 CG2 THR B 71 25.563 -11.678 7.897 1.00 0.61 C ATOM 0 H THR B 71 23.112 -12.942 9.201 1.00 0.32 H new ATOM 0 HA THR B 71 25.191 -12.576 11.223 1.00 0.39 H new ATOM 0 HB THR B 71 26.534 -13.129 9.148 1.00 0.45 H new ATOM 0 HG1 THR B 71 26.514 -10.447 10.140 1.00 0.62 H new ATOM 0 HG21 THR B 71 26.409 -11.589 7.216 1.00 0.61 H new ATOM 0 HG22 THR B 71 24.848 -12.396 7.496 1.00 0.61 H new ATOM 0 HG23 THR B 71 25.080 -10.707 8.005 1.00 0.61 H new ATOM 2227 N ILE B 72 22.839 -10.963 10.501 1.00 0.33 N ATOM 2228 CA ILE B 72 22.087 -9.686 10.675 1.00 0.36 C ATOM 2229 C ILE B 72 21.773 -9.469 12.162 1.00 0.36 C ATOM 2230 O ILE B 72 22.667 -9.461 12.987 1.00 0.46 O ATOM 2231 CB ILE B 72 20.814 -9.829 9.829 1.00 0.37 C ATOM 2232 CG1 ILE B 72 20.008 -11.045 10.291 1.00 0.34 C ATOM 2233 CG2 ILE B 72 21.190 -9.994 8.355 1.00 0.43 C ATOM 2234 CD1 ILE B 72 18.514 -10.721 10.192 1.00 0.36 C ATOM 0 H ILE B 72 22.266 -11.807 10.486 1.00 0.33 H new ATOM 0 HA ILE B 72 22.658 -8.816 10.351 1.00 0.36 H new ATOM 0 HB ILE B 72 20.207 -8.932 9.951 1.00 0.37 H new ATOM 0 HG12 ILE B 72 20.247 -11.911 9.674 1.00 0.34 H new ATOM 0 HG13 ILE B 72 20.270 -11.302 11.317 1.00 0.34 H new ATOM 0 HG21 ILE B 72 20.284 -10.095 7.758 1.00 0.43 H new ATOM 0 HG22 ILE B 72 21.749 -9.119 8.022 1.00 0.43 H new ATOM 0 HG23 ILE B 72 21.806 -10.885 8.234 1.00 0.43 H new ATOM 0 HD11 ILE B 72 17.932 -11.583 10.520 1.00 0.36 H new ATOM 0 HD12 ILE B 72 18.284 -9.866 10.827 1.00 0.36 H new ATOM 0 HD13 ILE B 72 18.261 -10.484 9.159 1.00 0.36 H new ATOM 2246 N LYS B 73 20.527 -9.275 12.512 1.00 0.32 N ATOM 2247 CA LYS B 73 20.178 -9.038 13.945 1.00 0.34 C ATOM 2248 C LYS B 73 19.222 -10.100 14.476 1.00 0.31 C ATOM 2249 O LYS B 73 19.258 -10.437 15.643 1.00 0.35 O ATOM 2250 CB LYS B 73 19.482 -7.682 13.946 1.00 0.39 C ATOM 2251 CG LYS B 73 19.260 -7.225 15.383 1.00 0.46 C ATOM 2252 CD LYS B 73 20.384 -6.273 15.800 1.00 0.61 C ATOM 2253 CE LYS B 73 20.228 -4.940 15.062 1.00 0.70 C ATOM 2254 NZ LYS B 73 21.588 -4.625 14.543 1.00 0.82 N ATOM 0 H LYS B 73 19.737 -9.271 11.867 1.00 0.32 H new ATOM 0 HA LYS B 73 21.063 -9.074 14.580 1.00 0.34 H new ATOM 0 HB2 LYS B 73 20.087 -6.951 13.410 1.00 0.39 H new ATOM 0 HB3 LYS B 73 18.528 -7.751 13.424 1.00 0.39 H new ATOM 0 HG2 LYS B 73 18.295 -6.725 15.471 1.00 0.46 H new ATOM 0 HG3 LYS B 73 19.234 -8.087 16.049 1.00 0.46 H new ATOM 0 HD2 LYS B 73 20.355 -6.109 16.877 1.00 0.61 H new ATOM 0 HD3 LYS B 73 21.353 -6.716 15.571 1.00 0.61 H new ATOM 0 HE2 LYS B 73 19.505 -5.021 14.250 1.00 0.70 H new ATOM 0 HE3 LYS B 73 19.870 -4.158 15.731 1.00 0.70 H new ATOM 0 HZ1 LYS B 73 21.562 -3.724 14.025 1.00 0.82 H new ATOM 0 HZ2 LYS B 73 22.254 -4.548 15.338 1.00 0.82 H new ATOM 0 HZ3 LYS B 73 21.900 -5.383 13.903 1.00 0.82 H new ATOM 2268 N LYS B 74 18.352 -10.591 13.634 1.00 0.27 N ATOM 2269 CA LYS B 74 17.334 -11.611 14.048 1.00 0.27 C ATOM 2270 C LYS B 74 16.281 -10.971 14.957 1.00 0.29 C ATOM 2271 O LYS B 74 15.095 -11.120 14.739 1.00 0.30 O ATOM 2272 CB LYS B 74 18.067 -12.735 14.797 1.00 0.30 C ATOM 2273 CG LYS B 74 19.219 -13.282 13.954 1.00 0.31 C ATOM 2274 CD LYS B 74 18.775 -13.465 12.504 1.00 0.36 C ATOM 2275 CE LYS B 74 19.567 -14.608 11.873 1.00 0.37 C ATOM 2276 NZ LYS B 74 20.995 -14.196 11.975 1.00 0.31 N ATOM 0 H LYS B 74 18.301 -10.323 12.651 1.00 0.27 H new ATOM 0 HA LYS B 74 16.824 -12.011 13.171 1.00 0.27 H new ATOM 0 HB2 LYS B 74 18.450 -12.358 15.745 1.00 0.30 H new ATOM 0 HB3 LYS B 74 17.369 -13.538 15.033 1.00 0.30 H new ATOM 0 HG2 LYS B 74 20.067 -12.599 13.998 1.00 0.31 H new ATOM 0 HG3 LYS B 74 19.556 -14.235 14.361 1.00 0.31 H new ATOM 0 HD2 LYS B 74 17.707 -13.681 12.463 1.00 0.36 H new ATOM 0 HD3 LYS B 74 18.935 -12.544 11.944 1.00 0.36 H new ATOM 0 HE2 LYS B 74 19.390 -15.547 12.398 1.00 0.37 H new ATOM 0 HE3 LYS B 74 19.275 -14.763 10.834 1.00 0.37 H new ATOM 0 HZ1 LYS B 74 21.506 -14.502 11.123 1.00 0.31 H new ATOM 0 HZ2 LYS B 74 21.052 -13.161 12.060 1.00 0.31 H new ATOM 0 HZ3 LYS B 74 21.424 -14.637 12.813 1.00 0.31 H new ATOM 2290 N SER B 75 16.703 -10.253 15.967 1.00 0.31 N ATOM 2291 CA SER B 75 15.722 -9.602 16.882 1.00 0.34 C ATOM 2292 C SER B 75 14.868 -8.620 16.089 1.00 0.31 C ATOM 2293 O SER B 75 13.662 -8.592 16.217 1.00 0.34 O ATOM 2294 CB SER B 75 16.566 -8.869 17.926 1.00 0.39 C ATOM 2295 OG SER B 75 17.286 -7.817 17.297 1.00 0.61 O ATOM 0 H SER B 75 17.684 -10.091 16.196 1.00 0.31 H new ATOM 0 HA SER B 75 15.046 -10.317 17.352 1.00 0.34 H new ATOM 0 HB2 SER B 75 15.925 -8.467 18.711 1.00 0.39 H new ATOM 0 HB3 SER B 75 17.258 -9.563 18.403 1.00 0.39 H new ATOM 0 HG SER B 75 17.826 -7.345 17.965 1.00 0.61 H new ATOM 2301 N LYS B 76 15.492 -7.824 15.262 1.00 0.31 N ATOM 2302 CA LYS B 76 14.728 -6.842 14.442 1.00 0.31 C ATOM 2303 C LYS B 76 14.059 -7.552 13.261 1.00 0.27 C ATOM 2304 O LYS B 76 12.995 -7.163 12.820 1.00 0.31 O ATOM 2305 CB LYS B 76 15.772 -5.841 13.950 1.00 0.37 C ATOM 2306 CG LYS B 76 15.928 -4.717 14.977 1.00 0.59 C ATOM 2307 CD LYS B 76 14.998 -3.558 14.611 1.00 0.68 C ATOM 2308 CE LYS B 76 13.562 -3.911 15.006 1.00 0.60 C ATOM 2309 NZ LYS B 76 12.880 -2.601 15.191 1.00 0.54 N ATOM 0 H LYS B 76 16.502 -7.812 15.119 1.00 0.31 H new ATOM 0 HA LYS B 76 13.935 -6.354 15.009 1.00 0.31 H new ATOM 0 HB2 LYS B 76 16.728 -6.342 13.796 1.00 0.37 H new ATOM 0 HB3 LYS B 76 15.470 -5.429 12.987 1.00 0.37 H new ATOM 0 HG2 LYS B 76 15.691 -5.086 15.975 1.00 0.59 H new ATOM 0 HG3 LYS B 76 16.962 -4.374 15.002 1.00 0.59 H new ATOM 0 HD2 LYS B 76 15.314 -2.649 15.122 1.00 0.68 H new ATOM 0 HD3 LYS B 76 15.053 -3.357 13.541 1.00 0.68 H new ATOM 0 HE2 LYS B 76 13.074 -4.504 14.232 1.00 0.60 H new ATOM 0 HE3 LYS B 76 13.538 -4.501 15.922 1.00 0.60 H new ATOM 0 HZ1 LYS B 76 11.889 -2.761 15.463 1.00 0.54 H new ATOM 0 HZ2 LYS B 76 13.362 -2.061 15.938 1.00 0.54 H new ATOM 0 HZ3 LYS B 76 12.912 -2.064 14.301 1.00 0.54 H new ATOM 2323 N ALA B 77 14.675 -8.593 12.751 1.00 0.26 N ATOM 2324 CA ALA B 77 14.074 -9.336 11.600 1.00 0.25 C ATOM 2325 C ALA B 77 12.850 -10.120 12.067 1.00 0.24 C ATOM 2326 O ALA B 77 11.791 -10.052 11.471 1.00 0.27 O ATOM 2327 CB ALA B 77 15.161 -10.302 11.125 1.00 0.26 C ATOM 0 H ALA B 77 15.567 -8.959 13.083 1.00 0.26 H new ATOM 0 HA ALA B 77 13.751 -8.663 10.806 1.00 0.25 H new ATOM 0 HB1 ALA B 77 14.789 -10.882 10.280 1.00 0.26 H new ATOM 0 HB2 ALA B 77 16.041 -9.737 10.818 1.00 0.26 H new ATOM 0 HB3 ALA B 77 15.429 -10.977 11.938 1.00 0.26 H new ATOM 2333 N ILE B 78 12.994 -10.870 13.128 1.00 0.26 N ATOM 2334 CA ILE B 78 11.847 -11.669 13.643 1.00 0.28 C ATOM 2335 C ILE B 78 10.743 -10.731 14.139 1.00 0.29 C ATOM 2336 O ILE B 78 9.577 -10.945 13.868 1.00 0.34 O ATOM 2337 CB ILE B 78 12.428 -12.516 14.779 1.00 0.32 C ATOM 2338 CG1 ILE B 78 13.525 -13.430 14.214 1.00 0.33 C ATOM 2339 CG2 ILE B 78 11.321 -13.373 15.398 1.00 0.41 C ATOM 2340 CD1 ILE B 78 14.527 -13.786 15.312 1.00 0.33 C ATOM 0 H ILE B 78 13.859 -10.963 13.660 1.00 0.26 H new ATOM 0 HA ILE B 78 11.393 -12.301 12.880 1.00 0.28 H new ATOM 0 HB ILE B 78 12.849 -11.863 15.544 1.00 0.32 H new ATOM 0 HG12 ILE B 78 13.080 -14.338 13.809 1.00 0.33 H new ATOM 0 HG13 ILE B 78 14.037 -12.931 13.391 1.00 0.33 H new ATOM 0 HG21 ILE B 78 11.736 -13.975 16.206 1.00 0.41 H new ATOM 0 HG22 ILE B 78 10.538 -12.726 15.793 1.00 0.41 H new ATOM 0 HG23 ILE B 78 10.900 -14.029 14.636 1.00 0.41 H new ATOM 0 HD11 ILE B 78 15.301 -14.434 14.902 1.00 0.33 H new ATOM 0 HD12 ILE B 78 14.984 -12.874 15.697 1.00 0.33 H new ATOM 0 HD13 ILE B 78 14.012 -14.303 16.121 1.00 0.33 H new ATOM 2352 N ASN B 79 11.099 -9.677 14.837 1.00 0.30 N ATOM 2353 CA ASN B 79 10.056 -8.715 15.311 1.00 0.32 C ATOM 2354 C ASN B 79 9.364 -8.115 14.091 1.00 0.30 C ATOM 2355 O ASN B 79 8.164 -7.911 14.074 1.00 0.34 O ATOM 2356 CB ASN B 79 10.808 -7.630 16.082 1.00 0.35 C ATOM 2357 CG ASN B 79 10.829 -7.982 17.572 1.00 0.41 C ATOM 2358 OD1 ASN B 79 9.791 -8.150 18.181 1.00 0.48 O ATOM 2359 ND2 ASN B 79 11.972 -8.099 18.189 1.00 0.47 N ATOM 0 H ASN B 79 12.058 -9.444 15.096 1.00 0.30 H new ATOM 0 HA ASN B 79 9.301 -9.187 15.940 1.00 0.32 H new ATOM 0 HB2 ASN B 79 11.827 -7.541 15.704 1.00 0.35 H new ATOM 0 HB3 ASN B 79 10.327 -6.663 15.933 1.00 0.35 H new ATOM 0 HD21 ASN B 79 11.994 -8.331 19.182 1.00 0.47 H new ATOM 0 HD22 ASN B 79 12.844 -7.958 17.679 1.00 0.47 H new ATOM 2366 N VAL B 80 10.127 -7.853 13.060 1.00 0.28 N ATOM 2367 CA VAL B 80 9.549 -7.289 11.808 1.00 0.29 C ATOM 2368 C VAL B 80 8.549 -8.291 11.230 1.00 0.28 C ATOM 2369 O VAL B 80 7.411 -7.961 10.956 1.00 0.33 O ATOM 2370 CB VAL B 80 10.754 -7.103 10.875 1.00 0.30 C ATOM 2371 CG1 VAL B 80 10.363 -7.415 9.430 1.00 0.34 C ATOM 2372 CG2 VAL B 80 11.253 -5.659 10.967 1.00 0.41 C ATOM 0 H VAL B 80 11.135 -8.008 13.035 1.00 0.28 H new ATOM 0 HA VAL B 80 9.015 -6.350 11.957 1.00 0.29 H new ATOM 0 HB VAL B 80 11.545 -7.787 11.182 1.00 0.30 H new ATOM 0 HG11 VAL B 80 11.228 -7.278 8.781 1.00 0.34 H new ATOM 0 HG12 VAL B 80 10.017 -8.446 9.361 1.00 0.34 H new ATOM 0 HG13 VAL B 80 9.564 -6.743 9.116 1.00 0.34 H new ATOM 0 HG21 VAL B 80 12.109 -5.527 10.305 1.00 0.41 H new ATOM 0 HG22 VAL B 80 10.455 -4.979 10.669 1.00 0.41 H new ATOM 0 HG23 VAL B 80 11.551 -5.442 11.993 1.00 0.41 H new ATOM 2382 N LEU B 81 8.975 -9.518 11.053 1.00 0.28 N ATOM 2383 CA LEU B 81 8.059 -10.560 10.504 1.00 0.30 C ATOM 2384 C LEU B 81 6.829 -10.682 11.402 1.00 0.32 C ATOM 2385 O LEU B 81 5.732 -10.927 10.936 1.00 0.35 O ATOM 2386 CB LEU B 81 8.874 -11.854 10.501 1.00 0.32 C ATOM 2387 CG LEU B 81 9.105 -12.303 9.056 1.00 0.38 C ATOM 2388 CD1 LEU B 81 10.472 -11.809 8.579 1.00 0.79 C ATOM 2389 CD2 LEU B 81 9.062 -13.830 8.981 1.00 0.45 C ATOM 0 H LEU B 81 9.919 -9.841 11.266 1.00 0.28 H new ATOM 0 HA LEU B 81 7.700 -10.321 9.503 1.00 0.30 H new ATOM 0 HB2 LEU B 81 9.829 -11.697 11.002 1.00 0.32 H new ATOM 0 HB3 LEU B 81 8.347 -12.631 11.055 1.00 0.32 H new ATOM 0 HG LEU B 81 8.325 -11.886 8.419 1.00 0.38 H new ATOM 0 HD11 LEU B 81 10.636 -12.129 7.550 1.00 0.79 H new ATOM 0 HD12 LEU B 81 10.504 -10.721 8.630 1.00 0.79 H new ATOM 0 HD13 LEU B 81 11.252 -12.225 9.217 1.00 0.79 H new ATOM 0 HD21 LEU B 81 9.227 -14.149 7.952 1.00 0.45 H new ATOM 0 HD22 LEU B 81 9.841 -14.248 9.619 1.00 0.45 H new ATOM 0 HD23 LEU B 81 8.088 -14.184 9.319 1.00 0.45 H new ATOM 2401 N ARG B 82 7.001 -10.483 12.686 1.00 0.33 N ATOM 2402 CA ARG B 82 5.835 -10.554 13.611 1.00 0.36 C ATOM 2403 C ARG B 82 4.936 -9.346 13.350 1.00 0.34 C ATOM 2404 O ARG B 82 3.724 -9.454 13.304 1.00 0.37 O ATOM 2405 CB ARG B 82 6.425 -10.497 15.022 1.00 0.40 C ATOM 2406 CG ARG B 82 5.722 -11.527 15.909 1.00 0.47 C ATOM 2407 CD ARG B 82 6.545 -12.825 15.930 1.00 0.53 C ATOM 2408 NE ARG B 82 7.129 -12.950 17.306 1.00 0.56 N ATOM 2409 CZ ARG B 82 7.485 -11.892 17.991 1.00 0.53 C ATOM 2410 NH1 ARG B 82 8.425 -11.104 17.545 1.00 0.58 N ATOM 2411 NH2 ARG B 82 6.897 -11.628 19.125 1.00 0.56 N ATOM 0 H ARG B 82 7.896 -10.275 13.129 1.00 0.33 H new ATOM 0 HA ARG B 82 5.238 -11.456 13.477 1.00 0.36 H new ATOM 0 HB2 ARG B 82 7.495 -10.700 14.989 1.00 0.40 H new ATOM 0 HB3 ARG B 82 6.302 -9.497 15.439 1.00 0.40 H new ATOM 0 HG2 ARG B 82 5.611 -11.137 16.921 1.00 0.47 H new ATOM 0 HG3 ARG B 82 4.719 -11.725 15.531 1.00 0.47 H new ATOM 0 HD2 ARG B 82 5.916 -13.685 15.698 1.00 0.53 H new ATOM 0 HD3 ARG B 82 7.333 -12.795 15.178 1.00 0.53 H new ATOM 0 HE ARG B 82 7.251 -13.876 17.716 1.00 0.56 H new ATOM 0 HH11 ARG B 82 8.886 -11.311 16.659 1.00 0.58 H new ATOM 0 HH12 ARG B 82 8.698 -10.281 18.082 1.00 0.58 H new ATOM 0 HH21 ARG B 82 6.163 -12.244 19.475 1.00 0.56 H new ATOM 0 HH22 ARG B 82 7.171 -10.805 19.662 1.00 0.56 H new ATOM 2425 N GLY B 83 5.536 -8.197 13.151 1.00 0.34 N ATOM 2426 CA GLY B 83 4.740 -6.971 12.861 1.00 0.35 C ATOM 2427 C GLY B 83 3.994 -7.186 11.547 1.00 0.33 C ATOM 2428 O GLY B 83 2.855 -6.787 11.395 1.00 0.35 O ATOM 0 H GLY B 83 6.546 -8.059 13.178 1.00 0.34 H new ATOM 0 HA2 GLY B 83 4.036 -6.775 13.670 1.00 0.35 H new ATOM 0 HA3 GLY B 83 5.394 -6.102 12.789 1.00 0.35 H new ATOM 2432 N PHE B 84 4.629 -7.840 10.602 1.00 0.33 N ATOM 2433 CA PHE B 84 3.957 -8.113 9.300 1.00 0.33 C ATOM 2434 C PHE B 84 2.742 -9.005 9.551 1.00 0.31 C ATOM 2435 O PHE B 84 1.702 -8.843 8.942 1.00 0.33 O ATOM 2436 CB PHE B 84 4.997 -8.848 8.445 1.00 0.38 C ATOM 2437 CG PHE B 84 5.974 -7.872 7.836 1.00 0.38 C ATOM 2438 CD1 PHE B 84 5.539 -6.630 7.357 1.00 1.06 C ATOM 2439 CD2 PHE B 84 7.325 -8.224 7.736 1.00 0.76 C ATOM 2440 CE1 PHE B 84 6.455 -5.745 6.785 1.00 1.25 C ATOM 2441 CE2 PHE B 84 8.236 -7.340 7.161 1.00 0.69 C ATOM 2442 CZ PHE B 84 7.802 -6.102 6.688 1.00 0.69 C ATOM 0 H PHE B 84 5.582 -8.194 10.680 1.00 0.33 H new ATOM 0 HA PHE B 84 3.613 -7.205 8.804 1.00 0.33 H new ATOM 0 HB2 PHE B 84 5.533 -9.572 9.059 1.00 0.38 H new ATOM 0 HB3 PHE B 84 4.496 -9.408 7.656 1.00 0.38 H new ATOM 0 HD1 PHE B 84 4.497 -6.357 7.430 1.00 1.06 H new ATOM 0 HD2 PHE B 84 7.662 -9.182 8.105 1.00 0.76 H new ATOM 0 HE1 PHE B 84 6.122 -4.785 6.418 1.00 1.25 H new ATOM 0 HE2 PHE B 84 9.278 -7.614 7.082 1.00 0.69 H new ATOM 0 HZ PHE B 84 8.510 -5.417 6.245 1.00 0.69 H new ATOM 2452 N ARG B 85 2.869 -9.936 10.466 1.00 0.33 N ATOM 2453 CA ARG B 85 1.723 -10.835 10.790 1.00 0.34 C ATOM 2454 C ARG B 85 0.554 -9.991 11.296 1.00 0.32 C ATOM 2455 O ARG B 85 -0.586 -10.206 10.932 1.00 0.34 O ATOM 2456 CB ARG B 85 2.238 -11.762 11.893 1.00 0.40 C ATOM 2457 CG ARG B 85 1.352 -13.007 11.971 1.00 0.49 C ATOM 2458 CD ARG B 85 0.003 -12.636 12.593 1.00 0.63 C ATOM 2459 NE ARG B 85 -0.442 -13.866 13.306 1.00 0.55 N ATOM 2460 CZ ARG B 85 -1.106 -13.767 14.425 1.00 0.58 C ATOM 2461 NH1 ARG B 85 -0.466 -13.639 15.554 1.00 0.63 N ATOM 2462 NH2 ARG B 85 -2.410 -13.796 14.414 1.00 0.69 N ATOM 0 H ARG B 85 3.719 -10.110 11.002 1.00 0.33 H new ATOM 0 HA ARG B 85 1.372 -11.402 9.928 1.00 0.34 H new ATOM 0 HB2 ARG B 85 3.269 -12.049 11.689 1.00 0.40 H new ATOM 0 HB3 ARG B 85 2.236 -11.241 12.850 1.00 0.40 H new ATOM 0 HG2 ARG B 85 1.203 -13.423 10.975 1.00 0.49 H new ATOM 0 HG3 ARG B 85 1.840 -13.777 12.568 1.00 0.49 H new ATOM 0 HD2 ARG B 85 0.103 -11.795 13.280 1.00 0.63 H new ATOM 0 HD3 ARG B 85 -0.716 -12.340 11.829 1.00 0.63 H new ATOM 0 HE ARG B 85 -0.228 -14.785 12.920 1.00 0.55 H new ATOM 0 HH11 ARG B 85 0.554 -13.616 15.562 1.00 0.63 H new ATOM 0 HH12 ARG B 85 -0.985 -13.562 16.429 1.00 0.63 H new ATOM 0 HH21 ARG B 85 -2.910 -13.896 13.531 1.00 0.69 H new ATOM 0 HH22 ARG B 85 -2.929 -13.719 15.289 1.00 0.69 H new ATOM 2476 N LYS B 86 0.840 -9.016 12.124 1.00 0.31 N ATOM 2477 CA LYS B 86 -0.242 -8.133 12.647 1.00 0.30 C ATOM 2478 C LYS B 86 -0.684 -7.169 11.545 1.00 0.28 C ATOM 2479 O LYS B 86 -1.834 -6.779 11.473 1.00 0.31 O ATOM 2480 CB LYS B 86 0.388 -7.371 13.816 1.00 0.34 C ATOM 2481 CG LYS B 86 -0.490 -7.522 15.061 1.00 0.42 C ATOM 2482 CD LYS B 86 -0.404 -8.961 15.579 1.00 0.46 C ATOM 2483 CE LYS B 86 -1.636 -9.751 15.121 1.00 0.39 C ATOM 2484 NZ LYS B 86 -2.251 -10.269 16.376 1.00 0.55 N ATOM 0 H LYS B 86 1.778 -8.795 12.459 1.00 0.31 H new ATOM 0 HA LYS B 86 -1.123 -8.690 12.967 1.00 0.30 H new ATOM 0 HB2 LYS B 86 1.389 -7.754 14.016 1.00 0.34 H new ATOM 0 HB3 LYS B 86 0.496 -6.317 13.560 1.00 0.34 H new ATOM 0 HG2 LYS B 86 -0.165 -6.826 15.834 1.00 0.42 H new ATOM 0 HG3 LYS B 86 -1.524 -7.272 14.822 1.00 0.42 H new ATOM 0 HD2 LYS B 86 0.504 -9.437 15.208 1.00 0.46 H new ATOM 0 HD3 LYS B 86 -0.343 -8.963 16.667 1.00 0.46 H new ATOM 0 HE2 LYS B 86 -2.332 -9.115 14.574 1.00 0.39 H new ATOM 0 HE3 LYS B 86 -1.356 -10.566 14.453 1.00 0.39 H new ATOM 0 HZ1 LYS B 86 -3.101 -10.821 16.144 1.00 0.55 H new ATOM 0 HZ2 LYS B 86 -1.568 -10.877 16.872 1.00 0.55 H new ATOM 0 HZ3 LYS B 86 -2.513 -9.471 16.989 1.00 0.55 H new ATOM 2498 N GLU B 87 0.225 -6.798 10.678 1.00 0.27 N ATOM 2499 CA GLU B 87 -0.132 -5.873 9.563 1.00 0.28 C ATOM 2500 C GLU B 87 -1.035 -6.602 8.569 1.00 0.29 C ATOM 2501 O GLU B 87 -1.965 -6.034 8.027 1.00 0.33 O ATOM 2502 CB GLU B 87 1.199 -5.503 8.906 1.00 0.31 C ATOM 2503 CG GLU B 87 1.802 -4.289 9.616 1.00 0.31 C ATOM 2504 CD GLU B 87 2.906 -3.685 8.745 1.00 0.36 C ATOM 2505 OE1 GLU B 87 3.929 -4.331 8.589 1.00 0.36 O ATOM 2506 OE2 GLU B 87 2.709 -2.588 8.250 1.00 0.73 O ATOM 0 H GLU B 87 1.200 -7.097 10.696 1.00 0.27 H new ATOM 0 HA GLU B 87 -0.668 -4.989 9.907 1.00 0.28 H new ATOM 0 HB2 GLU B 87 1.888 -6.346 8.957 1.00 0.31 H new ATOM 0 HB3 GLU B 87 1.045 -5.280 7.850 1.00 0.31 H new ATOM 0 HG2 GLU B 87 1.028 -3.546 9.809 1.00 0.31 H new ATOM 0 HG3 GLU B 87 2.208 -4.585 10.583 1.00 0.31 H new ATOM 2513 N ILE B 88 -0.769 -7.864 8.335 1.00 0.30 N ATOM 2514 CA ILE B 88 -1.611 -8.647 7.386 1.00 0.34 C ATOM 2515 C ILE B 88 -2.986 -8.901 8.018 1.00 0.31 C ATOM 2516 O ILE B 88 -4.006 -8.835 7.355 1.00 0.33 O ATOM 2517 CB ILE B 88 -0.820 -9.947 7.129 1.00 0.39 C ATOM 2518 CG1 ILE B 88 -0.911 -10.305 5.642 1.00 0.51 C ATOM 2519 CG2 ILE B 88 -1.364 -11.116 7.963 1.00 0.38 C ATOM 2520 CD1 ILE B 88 0.468 -10.726 5.132 1.00 0.69 C ATOM 0 H ILE B 88 -0.003 -8.384 8.763 1.00 0.30 H new ATOM 0 HA ILE B 88 -1.804 -8.132 6.445 1.00 0.34 H new ATOM 0 HB ILE B 88 0.216 -9.776 7.421 1.00 0.39 H new ATOM 0 HG12 ILE B 88 -1.627 -11.114 5.495 1.00 0.51 H new ATOM 0 HG13 ILE B 88 -1.275 -9.450 5.073 1.00 0.51 H new ATOM 0 HG21 ILE B 88 -0.782 -12.014 7.755 1.00 0.38 H new ATOM 0 HG22 ILE B 88 -1.289 -10.873 9.023 1.00 0.38 H new ATOM 0 HG23 ILE B 88 -2.408 -11.293 7.704 1.00 0.38 H new ATOM 0 HD11 ILE B 88 0.403 -10.981 4.074 1.00 0.69 H new ATOM 0 HD12 ILE B 88 1.171 -9.904 5.265 1.00 0.69 H new ATOM 0 HD13 ILE B 88 0.814 -11.594 5.693 1.00 0.69 H new ATOM 2532 N GLY B 89 -3.019 -9.156 9.305 1.00 0.31 N ATOM 2533 CA GLY B 89 -4.323 -9.383 9.990 1.00 0.33 C ATOM 2534 C GLY B 89 -5.126 -8.089 9.914 1.00 0.30 C ATOM 2535 O GLY B 89 -6.339 -8.097 9.814 1.00 0.33 O ATOM 0 H GLY B 89 -2.198 -9.216 9.907 1.00 0.31 H new ATOM 0 HA2 GLY B 89 -4.867 -10.198 9.513 1.00 0.33 H new ATOM 0 HA3 GLY B 89 -4.163 -9.672 11.029 1.00 0.33 H new ATOM 2539 N ARG B 90 -4.443 -6.973 9.940 1.00 0.30 N ATOM 2540 CA ARG B 90 -5.142 -5.663 9.846 1.00 0.30 C ATOM 2541 C ARG B 90 -5.704 -5.493 8.435 1.00 0.28 C ATOM 2542 O ARG B 90 -6.802 -4.998 8.255 1.00 0.30 O ATOM 2543 CB ARG B 90 -4.064 -4.612 10.121 1.00 0.34 C ATOM 2544 CG ARG B 90 -3.999 -4.317 11.620 1.00 0.39 C ATOM 2545 CD ARG B 90 -3.017 -3.169 11.865 1.00 0.52 C ATOM 2546 NE ARG B 90 -2.959 -3.015 13.347 1.00 0.69 N ATOM 2547 CZ ARG B 90 -3.972 -2.505 13.994 1.00 1.08 C ATOM 2548 NH1 ARG B 90 -4.646 -1.512 13.481 1.00 1.40 N ATOM 2549 NH2 ARG B 90 -4.311 -2.989 15.158 1.00 1.43 N ATOM 0 H ARG B 90 -3.428 -6.916 10.023 1.00 0.30 H new ATOM 0 HA ARG B 90 -5.973 -5.578 10.547 1.00 0.30 H new ATOM 0 HB2 ARG B 90 -3.096 -4.970 9.769 1.00 0.34 H new ATOM 0 HB3 ARG B 90 -4.286 -3.698 9.570 1.00 0.34 H new ATOM 0 HG2 ARG B 90 -4.988 -4.051 11.994 1.00 0.39 H new ATOM 0 HG3 ARG B 90 -3.681 -5.206 12.164 1.00 0.39 H new ATOM 0 HD2 ARG B 90 -2.034 -3.397 11.454 1.00 0.52 H new ATOM 0 HD3 ARG B 90 -3.357 -2.251 11.386 1.00 0.52 H new ATOM 0 HE ARG B 90 -2.126 -3.309 13.857 1.00 0.69 H new ATOM 0 HH11 ARG B 90 -4.382 -1.132 12.572 1.00 1.40 H new ATOM 0 HH12 ARG B 90 -5.437 -1.116 13.989 1.00 1.40 H new ATOM 0 HH21 ARG B 90 -3.785 -3.764 15.561 1.00 1.43 H new ATOM 0 HH22 ARG B 90 -5.102 -2.592 15.665 1.00 1.43 H new ATOM 2563 N MET B 91 -4.966 -5.930 7.434 1.00 0.29 N ATOM 2564 CA MET B 91 -5.456 -5.816 6.029 1.00 0.29 C ATOM 2565 C MET B 91 -6.781 -6.554 5.926 1.00 0.27 C ATOM 2566 O MET B 91 -7.718 -6.098 5.299 1.00 0.30 O ATOM 2567 CB MET B 91 -4.384 -6.489 5.164 1.00 0.34 C ATOM 2568 CG MET B 91 -4.190 -5.689 3.874 1.00 0.53 C ATOM 2569 SD MET B 91 -3.212 -6.662 2.703 1.00 0.66 S ATOM 2570 CE MET B 91 -1.600 -6.394 3.478 1.00 0.64 C ATOM 0 H MET B 91 -4.047 -6.360 7.537 1.00 0.29 H new ATOM 0 HA MET B 91 -5.617 -4.786 5.711 1.00 0.29 H new ATOM 0 HB2 MET B 91 -3.444 -6.548 5.712 1.00 0.34 H new ATOM 0 HB3 MET B 91 -4.681 -7.511 4.929 1.00 0.34 H new ATOM 0 HG2 MET B 91 -5.158 -5.441 3.438 1.00 0.53 H new ATOM 0 HG3 MET B 91 -3.687 -4.747 4.090 1.00 0.53 H new ATOM 0 HE1 MET B 91 -0.962 -5.825 2.802 1.00 0.64 H new ATOM 0 HE2 MET B 91 -1.731 -5.839 4.407 1.00 0.64 H new ATOM 0 HE3 MET B 91 -1.135 -7.356 3.692 1.00 0.64 H new ATOM 2580 N LEU B 92 -6.865 -7.680 6.579 1.00 0.27 N ATOM 2581 CA LEU B 92 -8.130 -8.458 6.574 1.00 0.29 C ATOM 2582 C LEU B 92 -9.200 -7.639 7.270 1.00 0.29 C ATOM 2583 O LEU B 92 -10.328 -7.564 6.817 1.00 0.33 O ATOM 2584 CB LEU B 92 -7.802 -9.729 7.331 1.00 0.33 C ATOM 2585 CG LEU B 92 -6.789 -10.498 6.500 1.00 0.37 C ATOM 2586 CD1 LEU B 92 -5.920 -11.369 7.410 1.00 0.48 C ATOM 2587 CD2 LEU B 92 -7.524 -11.383 5.489 1.00 0.41 C ATOM 0 H LEU B 92 -6.105 -8.095 7.119 1.00 0.27 H new ATOM 0 HA LEU B 92 -8.506 -8.691 5.578 1.00 0.29 H new ATOM 0 HB2 LEU B 92 -7.395 -9.497 8.315 1.00 0.33 H new ATOM 0 HB3 LEU B 92 -8.701 -10.325 7.490 1.00 0.33 H new ATOM 0 HG LEU B 92 -6.151 -9.792 5.969 1.00 0.37 H new ATOM 0 HD11 LEU B 92 -5.196 -11.917 6.806 1.00 0.48 H new ATOM 0 HD12 LEU B 92 -5.392 -10.736 8.124 1.00 0.48 H new ATOM 0 HD13 LEU B 92 -6.552 -12.075 7.949 1.00 0.48 H new ATOM 0 HD21 LEU B 92 -6.797 -11.935 4.893 1.00 0.41 H new ATOM 0 HD22 LEU B 92 -8.166 -12.086 6.020 1.00 0.41 H new ATOM 0 HD23 LEU B 92 -8.132 -10.759 4.834 1.00 0.41 H new ATOM 2599 N ASN B 93 -8.835 -6.977 8.340 1.00 0.30 N ATOM 2600 CA ASN B 93 -9.813 -6.102 9.039 1.00 0.33 C ATOM 2601 C ASN B 93 -10.343 -5.090 8.023 1.00 0.34 C ATOM 2602 O ASN B 93 -11.445 -4.589 8.140 1.00 0.42 O ATOM 2603 CB ASN B 93 -9.015 -5.395 10.139 1.00 0.36 C ATOM 2604 CG ASN B 93 -9.884 -5.200 11.389 1.00 0.44 C ATOM 2605 OD1 ASN B 93 -11.188 -5.222 11.291 1.00 0.59 O flip ATOM 2606 ND2 ASN B 93 -9.367 -5.021 12.473 1.00 0.61 N flip ATOM 0 H ASN B 93 -7.904 -7.007 8.755 1.00 0.30 H new ATOM 0 HA ASN B 93 -10.658 -6.645 9.462 1.00 0.33 H new ATOM 0 HB2 ASN B 93 -8.131 -5.982 10.390 1.00 0.36 H new ATOM 0 HB3 ASN B 93 -8.664 -4.428 9.778 1.00 0.36 H new ATOM 0 HD21 ASN B 93 -8.351 -5.003 12.556 1.00 0.61 H new ATOM 0 HD22 ASN B 93 -9.949 -4.889 13.300 1.00 0.61 H new ATOM 2613 N ILE B 94 -9.553 -4.808 7.008 1.00 0.31 N ATOM 2614 CA ILE B 94 -9.992 -3.849 5.955 1.00 0.34 C ATOM 2615 C ILE B 94 -10.822 -4.573 4.890 1.00 0.33 C ATOM 2616 O ILE B 94 -11.786 -4.024 4.390 1.00 0.40 O ATOM 2617 CB ILE B 94 -8.721 -3.274 5.313 1.00 0.36 C ATOM 2618 CG1 ILE B 94 -7.639 -3.051 6.380 1.00 0.37 C ATOM 2619 CG2 ILE B 94 -9.065 -1.943 4.637 1.00 0.43 C ATOM 2620 CD1 ILE B 94 -6.661 -1.958 5.932 1.00 0.53 C ATOM 0 H ILE B 94 -8.624 -5.205 6.870 1.00 0.31 H new ATOM 0 HA ILE B 94 -10.609 -3.061 6.387 1.00 0.34 H new ATOM 0 HB ILE B 94 -8.338 -3.978 4.574 1.00 0.36 H new ATOM 0 HG12 ILE B 94 -8.104 -2.767 7.324 1.00 0.37 H new ATOM 0 HG13 ILE B 94 -7.098 -3.981 6.558 1.00 0.37 H new ATOM 0 HG21 ILE B 94 -8.169 -1.526 4.178 1.00 0.43 H new ATOM 0 HG22 ILE B 94 -9.822 -2.109 3.870 1.00 0.43 H new ATOM 0 HG23 ILE B 94 -9.449 -1.246 5.381 1.00 0.43 H new ATOM 0 HD11 ILE B 94 -5.901 -1.813 6.700 1.00 0.53 H new ATOM 0 HD12 ILE B 94 -6.182 -2.258 5.000 1.00 0.53 H new ATOM 0 HD13 ILE B 94 -7.204 -1.025 5.778 1.00 0.53 H new ATOM 2632 N LEU B 95 -10.466 -5.790 4.519 1.00 0.29 N ATOM 2633 CA LEU B 95 -11.277 -6.481 3.463 1.00 0.31 C ATOM 2634 C LEU B 95 -12.356 -7.376 4.087 1.00 0.33 C ATOM 2635 O LEU B 95 -12.976 -8.171 3.405 1.00 0.38 O ATOM 2636 CB LEU B 95 -10.292 -7.300 2.624 1.00 0.31 C ATOM 2637 CG LEU B 95 -9.527 -8.284 3.509 1.00 0.31 C ATOM 2638 CD1 LEU B 95 -9.992 -9.713 3.220 1.00 0.41 C ATOM 2639 CD2 LEU B 95 -8.028 -8.170 3.213 1.00 0.33 C ATOM 0 H LEU B 95 -9.675 -6.316 4.890 1.00 0.29 H new ATOM 0 HA LEU B 95 -11.806 -5.757 2.843 1.00 0.31 H new ATOM 0 HB2 LEU B 95 -10.830 -7.843 1.847 1.00 0.31 H new ATOM 0 HB3 LEU B 95 -9.592 -6.634 2.121 1.00 0.31 H new ATOM 0 HG LEU B 95 -9.717 -8.049 4.556 1.00 0.31 H new ATOM 0 HD11 LEU B 95 -9.443 -10.409 3.854 1.00 0.41 H new ATOM 0 HD12 LEU B 95 -11.059 -9.797 3.427 1.00 0.41 H new ATOM 0 HD13 LEU B 95 -9.806 -9.951 2.173 1.00 0.41 H new ATOM 0 HD21 LEU B 95 -7.479 -8.870 3.842 1.00 0.33 H new ATOM 0 HD22 LEU B 95 -7.845 -8.404 2.164 1.00 0.33 H new ATOM 0 HD23 LEU B 95 -7.692 -7.154 3.422 1.00 0.33 H new ATOM 2651 N ASN B 96 -12.602 -7.237 5.369 1.00 0.36 N ATOM 2652 CA ASN B 96 -13.664 -8.062 6.029 1.00 0.40 C ATOM 2653 C ASN B 96 -14.740 -7.153 6.637 1.00 0.43 C ATOM 2654 O ASN B 96 -15.745 -7.621 7.140 1.00 0.51 O ATOM 2655 CB ASN B 96 -12.948 -8.848 7.126 1.00 0.38 C ATOM 2656 CG ASN B 96 -12.103 -9.955 6.491 1.00 0.49 C ATOM 2657 OD1 ASN B 96 -10.938 -10.239 6.998 1.00 0.64 O flip ATOM 2658 ND2 ASN B 96 -12.509 -10.569 5.524 1.00 0.56 N flip ATOM 0 H ASN B 96 -12.113 -6.588 5.986 1.00 0.36 H new ATOM 0 HA ASN B 96 -14.164 -8.723 5.321 1.00 0.40 H new ATOM 0 HB2 ASN B 96 -12.314 -8.182 7.711 1.00 0.38 H new ATOM 0 HB3 ASN B 96 -13.676 -9.280 7.813 1.00 0.38 H new ATOM 0 HD21 ASN B 96 -13.422 -10.348 5.126 1.00 0.56 H new ATOM 0 HD22 ASN B 96 -11.937 -11.306 5.111 1.00 0.56 H new