USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=18 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -149:sc= -1.45 (180deg=-2.25) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 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 -43:sc= 0.944 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= -1.7 (180deg=-2.12) USER MOD Single : A 75 SER OG : rot 180:sc= -0.519 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.863 K(o=0.86,f=-0.29) USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= -0.105 (180deg=-0.116) USER MOD Single : A 91 MET CE :methyl 160:sc= -2.91! (180deg=-3.81!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -1.18 F(o=-2.5,f=-1.2) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 MET CE :methyl -147:sc= -1.43 (180deg=-2.18) USER MOD Single : B 58 THR OG1 : rot 180:sc= 0 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 -41:sc= 0.904 USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 LYS NZ :NH3+ -172:sc= -1.78 (180deg=-1.92) USER MOD Single : B 75 SER OG : rot 180:sc= -0.513 USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN : amide:sc= 0.877 K(o=0.88,f=-0.28) USER MOD Single : B 86 LYS NZ :NH3+ -174:sc= -0.119 (180deg=-0.143) USER MOD Single : B 91 MET CE :methyl 159:sc= -2.93! (180deg=-3.68!) USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 96 ASN :FLIP amide:sc= -1.09 F(o=-2.4,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 357 N PRO A 43 -2.186 -18.153 -7.700 1.00 0.40 N ATOM 358 CA PRO A 43 -1.785 -17.620 -6.382 1.00 0.37 C ATOM 359 C PRO A 43 -2.647 -16.407 -6.017 1.00 0.34 C ATOM 360 O PRO A 43 -3.136 -16.290 -4.909 1.00 0.37 O ATOM 361 CB PRO A 43 -0.336 -17.201 -6.602 1.00 0.42 C ATOM 362 CG PRO A 43 -0.214 -16.924 -8.072 1.00 0.45 C ATOM 363 CD PRO A 43 -1.351 -17.617 -8.781 1.00 0.44 C ATOM 0 HA PRO A 43 -1.903 -18.338 -5.570 1.00 0.37 H new ATOM 0 HB2 PRO A 43 -0.091 -16.316 -6.015 1.00 0.42 H new ATOM 0 HB3 PRO A 43 0.351 -17.989 -6.293 1.00 0.42 H new ATOM 0 HG2 PRO A 43 -0.247 -15.851 -8.260 1.00 0.45 H new ATOM 0 HG3 PRO A 43 0.744 -17.284 -8.448 1.00 0.45 H new ATOM 0 HD2 PRO A 43 -1.910 -16.922 -9.407 1.00 0.44 H new ATOM 0 HD3 PRO A 43 -0.987 -18.411 -9.433 1.00 0.44 H new ATOM 371 N LEU A 44 -2.825 -15.503 -6.949 1.00 0.36 N ATOM 372 CA LEU A 44 -3.644 -14.279 -6.692 1.00 0.37 C ATOM 373 C LEU A 44 -3.125 -13.526 -5.466 1.00 0.38 C ATOM 374 O LEU A 44 -3.853 -12.795 -4.821 1.00 0.64 O ATOM 375 CB LEU A 44 -5.071 -14.771 -6.456 1.00 0.39 C ATOM 376 CG LEU A 44 -6.044 -13.633 -6.779 1.00 0.44 C ATOM 377 CD1 LEU A 44 -7.066 -14.106 -7.815 1.00 0.78 C ATOM 378 CD2 LEU A 44 -6.774 -13.196 -5.505 1.00 0.47 C ATOM 0 H LEU A 44 -2.432 -15.563 -7.888 1.00 0.36 H new ATOM 0 HA LEU A 44 -3.594 -13.585 -7.531 1.00 0.37 H new ATOM 0 HB2 LEU A 44 -5.281 -15.637 -7.084 1.00 0.39 H new ATOM 0 HB3 LEU A 44 -5.194 -15.091 -5.421 1.00 0.39 H new ATOM 0 HG LEU A 44 -5.484 -12.789 -7.181 1.00 0.44 H new ATOM 0 HD11 LEU A 44 -7.756 -13.294 -8.042 1.00 0.78 H new ATOM 0 HD12 LEU A 44 -6.548 -14.407 -8.726 1.00 0.78 H new ATOM 0 HD13 LEU A 44 -7.622 -14.954 -7.416 1.00 0.78 H new ATOM 0 HD21 LEU A 44 -7.465 -12.386 -5.741 1.00 0.47 H new ATOM 0 HD22 LEU A 44 -7.330 -14.040 -5.097 1.00 0.47 H new ATOM 0 HD23 LEU A 44 -6.047 -12.850 -4.770 1.00 0.47 H new ATOM 390 N LYS A 45 -1.868 -13.691 -5.153 1.00 0.27 N ATOM 391 CA LYS A 45 -1.282 -12.977 -3.980 1.00 0.26 C ATOM 392 C LYS A 45 -0.475 -11.771 -4.467 1.00 0.27 C ATOM 393 O LYS A 45 -0.296 -10.808 -3.752 1.00 0.32 O ATOM 394 CB LYS A 45 -0.378 -14.002 -3.285 1.00 0.29 C ATOM 395 CG LYS A 45 0.824 -14.334 -4.174 1.00 0.38 C ATOM 396 CD LYS A 45 1.788 -15.247 -3.414 1.00 0.44 C ATOM 397 CE LYS A 45 1.157 -16.631 -3.243 1.00 0.41 C ATOM 398 NZ LYS A 45 2.011 -17.320 -2.236 1.00 0.35 N ATOM 0 H LYS A 45 -1.219 -14.292 -5.661 1.00 0.27 H new ATOM 0 HA LYS A 45 -2.043 -12.600 -3.297 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -0.035 -13.606 -2.329 1.00 0.29 H new ATOM 0 HB3 LYS A 45 -0.943 -14.909 -3.070 1.00 0.29 H new ATOM 0 HG2 LYS A 45 0.489 -14.823 -5.088 1.00 0.38 H new ATOM 0 HG3 LYS A 45 1.333 -13.417 -4.471 1.00 0.38 H new ATOM 0 HD2 LYS A 45 2.730 -15.330 -3.956 1.00 0.44 H new ATOM 0 HD3 LYS A 45 2.018 -14.818 -2.439 1.00 0.44 H new ATOM 0 HE2 LYS A 45 0.125 -16.555 -2.900 1.00 0.41 H new ATOM 0 HE3 LYS A 45 1.140 -17.177 -4.186 1.00 0.41 H new ATOM 0 HZ1 LYS A 45 1.642 -18.277 -2.065 1.00 0.35 H new ATOM 0 HZ2 LYS A 45 2.986 -17.383 -2.593 1.00 0.35 H new ATOM 0 HZ3 LYS A 45 2.002 -16.781 -1.347 1.00 0.35 H new ATOM 412 N LEU A 46 0.008 -11.832 -5.686 1.00 0.27 N ATOM 413 CA LEU A 46 0.809 -10.705 -6.265 1.00 0.30 C ATOM 414 C LEU A 46 0.136 -9.352 -5.985 1.00 0.29 C ATOM 415 O LEU A 46 0.799 -8.339 -5.844 1.00 0.34 O ATOM 416 CB LEU A 46 0.831 -10.986 -7.771 1.00 0.34 C ATOM 417 CG LEU A 46 2.211 -11.504 -8.183 1.00 0.43 C ATOM 418 CD1 LEU A 46 2.169 -13.029 -8.303 1.00 0.54 C ATOM 419 CD2 LEU A 46 2.601 -10.901 -9.535 1.00 0.61 C ATOM 0 H LEU A 46 -0.121 -12.626 -6.313 1.00 0.27 H new ATOM 0 HA LEU A 46 1.808 -10.648 -5.833 1.00 0.30 H new ATOM 0 HB2 LEU A 46 0.067 -11.721 -8.024 1.00 0.34 H new ATOM 0 HB3 LEU A 46 0.594 -10.076 -8.323 1.00 0.34 H new ATOM 0 HG LEU A 46 2.945 -11.217 -7.430 1.00 0.43 H new ATOM 0 HD11 LEU A 46 3.152 -13.398 -8.596 1.00 0.54 H new ATOM 0 HD12 LEU A 46 1.891 -13.462 -7.342 1.00 0.54 H new ATOM 0 HD13 LEU A 46 1.434 -13.315 -9.056 1.00 0.54 H new ATOM 0 HD21 LEU A 46 3.584 -11.270 -9.828 1.00 0.61 H new ATOM 0 HD22 LEU A 46 1.866 -11.188 -10.287 1.00 0.61 H new ATOM 0 HD23 LEU A 46 2.631 -9.814 -9.454 1.00 0.61 H new ATOM 431 N PHE A 47 -1.171 -9.334 -5.889 1.00 0.28 N ATOM 432 CA PHE A 47 -1.888 -8.055 -5.607 1.00 0.29 C ATOM 433 C PHE A 47 -1.706 -7.702 -4.134 1.00 0.27 C ATOM 434 O PHE A 47 -1.450 -6.566 -3.779 1.00 0.29 O ATOM 435 CB PHE A 47 -3.360 -8.348 -5.928 1.00 0.31 C ATOM 436 CG PHE A 47 -4.244 -7.234 -5.406 1.00 0.35 C ATOM 437 CD1 PHE A 47 -3.881 -5.895 -5.601 1.00 0.40 C ATOM 438 CD2 PHE A 47 -5.428 -7.545 -4.727 1.00 0.44 C ATOM 439 CE1 PHE A 47 -4.702 -4.870 -5.117 1.00 0.51 C ATOM 440 CE2 PHE A 47 -6.249 -6.519 -4.243 1.00 0.52 C ATOM 441 CZ PHE A 47 -5.885 -5.182 -4.439 1.00 0.54 C ATOM 0 H PHE A 47 -1.772 -10.152 -5.994 1.00 0.28 H new ATOM 0 HA PHE A 47 -1.517 -7.213 -6.192 1.00 0.29 H new ATOM 0 HB2 PHE A 47 -3.491 -8.451 -7.005 1.00 0.31 H new ATOM 0 HB3 PHE A 47 -3.655 -9.296 -5.479 1.00 0.31 H new ATOM 0 HD1 PHE A 47 -2.968 -5.654 -6.125 1.00 0.40 H new ATOM 0 HD2 PHE A 47 -5.708 -8.577 -4.576 1.00 0.44 H new ATOM 0 HE1 PHE A 47 -4.422 -3.838 -5.267 1.00 0.51 H new ATOM 0 HE2 PHE A 47 -7.162 -6.759 -3.719 1.00 0.52 H new ATOM 0 HZ PHE A 47 -6.518 -4.390 -4.066 1.00 0.54 H new ATOM 451 N MET A 48 -1.824 -8.683 -3.282 1.00 0.28 N ATOM 452 CA MET A 48 -1.648 -8.441 -1.825 1.00 0.30 C ATOM 453 C MET A 48 -0.172 -8.182 -1.524 1.00 0.27 C ATOM 454 O MET A 48 0.167 -7.287 -0.783 1.00 0.33 O ATOM 455 CB MET A 48 -2.119 -9.732 -1.148 1.00 0.35 C ATOM 456 CG MET A 48 -3.185 -9.401 -0.102 1.00 0.47 C ATOM 457 SD MET A 48 -4.772 -10.120 -0.591 1.00 0.48 S ATOM 458 CE MET A 48 -5.021 -9.110 -2.071 1.00 0.44 C ATOM 0 H MET A 48 -2.036 -9.648 -3.536 1.00 0.28 H new ATOM 0 HA MET A 48 -2.207 -7.575 -1.472 1.00 0.30 H new ATOM 0 HB2 MET A 48 -2.525 -10.418 -1.892 1.00 0.35 H new ATOM 0 HB3 MET A 48 -1.276 -10.236 -0.676 1.00 0.35 H new ATOM 0 HG2 MET A 48 -2.885 -9.789 0.871 1.00 0.47 H new ATOM 0 HG3 MET A 48 -3.282 -8.320 0.002 1.00 0.47 H new ATOM 0 HE1 MET A 48 -6.088 -8.956 -2.231 1.00 0.44 H new ATOM 0 HE2 MET A 48 -4.531 -8.145 -1.940 1.00 0.44 H new ATOM 0 HE3 MET A 48 -4.594 -9.619 -2.935 1.00 0.44 H new ATOM 468 N ALA A 49 0.702 -8.965 -2.102 1.00 0.27 N ATOM 469 CA ALA A 49 2.165 -8.783 -1.863 1.00 0.29 C ATOM 470 C ALA A 49 2.604 -7.364 -2.239 1.00 0.28 C ATOM 471 O ALA A 49 3.362 -6.735 -1.526 1.00 0.33 O ATOM 472 CB ALA A 49 2.842 -9.810 -2.771 1.00 0.34 C ATOM 0 H ALA A 49 0.463 -9.729 -2.734 1.00 0.27 H new ATOM 0 HA ALA A 49 2.428 -8.922 -0.814 1.00 0.29 H new ATOM 0 HB1 ALA A 49 3.924 -9.741 -2.655 1.00 0.34 H new ATOM 0 HB2 ALA A 49 2.510 -10.812 -2.498 1.00 0.34 H new ATOM 0 HB3 ALA A 49 2.575 -9.610 -3.809 1.00 0.34 H new ATOM 478 N LEU A 50 2.141 -6.861 -3.356 1.00 0.27 N ATOM 479 CA LEU A 50 2.543 -5.485 -3.780 1.00 0.30 C ATOM 480 C LEU A 50 1.930 -4.426 -2.857 1.00 0.28 C ATOM 481 O LEU A 50 2.635 -3.624 -2.269 1.00 0.32 O ATOM 482 CB LEU A 50 2.006 -5.331 -5.204 1.00 0.36 C ATOM 483 CG LEU A 50 2.994 -4.512 -6.037 1.00 0.49 C ATOM 484 CD1 LEU A 50 4.309 -5.282 -6.176 1.00 0.73 C ATOM 485 CD2 LEU A 50 2.403 -4.262 -7.426 1.00 0.61 C ATOM 0 H LEU A 50 1.504 -7.342 -3.991 1.00 0.27 H new ATOM 0 HA LEU A 50 3.623 -5.349 -3.732 1.00 0.30 H new ATOM 0 HB2 LEU A 50 1.858 -6.312 -5.656 1.00 0.36 H new ATOM 0 HB3 LEU A 50 1.034 -4.839 -5.186 1.00 0.36 H new ATOM 0 HG LEU A 50 3.182 -3.559 -5.542 1.00 0.49 H new ATOM 0 HD11 LEU A 50 5.012 -4.697 -6.770 1.00 0.73 H new ATOM 0 HD12 LEU A 50 4.731 -5.462 -5.187 1.00 0.73 H new ATOM 0 HD13 LEU A 50 4.122 -6.235 -6.670 1.00 0.73 H new ATOM 0 HD21 LEU A 50 3.106 -3.679 -8.021 1.00 0.61 H new ATOM 0 HD22 LEU A 50 2.215 -5.216 -7.919 1.00 0.61 H new ATOM 0 HD23 LEU A 50 1.466 -3.713 -7.329 1.00 0.61 H new ATOM 497 N VAL A 51 0.625 -4.408 -2.731 1.00 0.28 N ATOM 498 CA VAL A 51 -0.028 -3.394 -1.858 1.00 0.29 C ATOM 499 C VAL A 51 0.397 -3.586 -0.397 1.00 0.27 C ATOM 500 O VAL A 51 0.439 -2.641 0.366 1.00 0.32 O ATOM 501 CB VAL A 51 -1.531 -3.625 -2.035 1.00 0.31 C ATOM 502 CG1 VAL A 51 -2.301 -2.626 -1.180 1.00 0.40 C ATOM 503 CG2 VAL A 51 -1.910 -3.425 -3.505 1.00 0.39 C ATOM 0 H VAL A 51 -0.013 -5.054 -3.197 1.00 0.28 H new ATOM 0 HA VAL A 51 0.255 -2.376 -2.125 1.00 0.29 H new ATOM 0 HB VAL A 51 -1.779 -4.641 -1.728 1.00 0.31 H new ATOM 0 HG11 VAL A 51 -3.371 -2.789 -1.305 1.00 0.40 H new ATOM 0 HG12 VAL A 51 -2.033 -2.761 -0.132 1.00 0.40 H new ATOM 0 HG13 VAL A 51 -2.050 -1.612 -1.490 1.00 0.40 H new ATOM 0 HG21 VAL A 51 -2.980 -3.590 -3.630 1.00 0.39 H new ATOM 0 HG22 VAL A 51 -1.661 -2.409 -3.810 1.00 0.39 H new ATOM 0 HG23 VAL A 51 -1.359 -4.134 -4.123 1.00 0.39 H new ATOM 513 N ALA A 52 0.723 -4.794 -0.002 1.00 0.26 N ATOM 514 CA ALA A 52 1.155 -5.027 1.412 1.00 0.27 C ATOM 515 C ALA A 52 2.504 -4.355 1.651 1.00 0.25 C ATOM 516 O ALA A 52 2.652 -3.551 2.552 1.00 0.28 O ATOM 517 CB ALA A 52 1.274 -6.543 1.570 1.00 0.31 C ATOM 0 H ALA A 52 0.709 -5.624 -0.594 1.00 0.26 H new ATOM 0 HA ALA A 52 0.448 -4.612 2.131 1.00 0.27 H new ATOM 0 HB1 ALA A 52 1.588 -6.779 2.587 1.00 0.31 H new ATOM 0 HB2 ALA A 52 0.308 -7.006 1.372 1.00 0.31 H new ATOM 0 HB3 ALA A 52 2.011 -6.926 0.864 1.00 0.31 H new ATOM 523 N PHE A 53 3.484 -4.666 0.833 1.00 0.26 N ATOM 524 CA PHE A 53 4.830 -4.031 0.982 1.00 0.27 C ATOM 525 C PHE A 53 4.642 -2.514 1.087 1.00 0.25 C ATOM 526 O PHE A 53 5.130 -1.866 2.003 1.00 0.26 O ATOM 527 CB PHE A 53 5.577 -4.421 -0.299 1.00 0.30 C ATOM 528 CG PHE A 53 6.814 -3.575 -0.464 1.00 0.32 C ATOM 529 CD1 PHE A 53 7.965 -3.862 0.278 1.00 0.45 C ATOM 530 CD2 PHE A 53 6.808 -2.503 -1.361 1.00 0.49 C ATOM 531 CE1 PHE A 53 9.111 -3.076 0.121 1.00 0.49 C ATOM 532 CE2 PHE A 53 7.952 -1.716 -1.519 1.00 0.52 C ATOM 533 CZ PHE A 53 9.104 -2.001 -0.779 1.00 0.42 C ATOM 0 H PHE A 53 3.407 -5.335 0.067 1.00 0.26 H new ATOM 0 HA PHE A 53 5.378 -4.349 1.869 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.852 -5.475 -0.261 1.00 0.30 H new ATOM 0 HB3 PHE A 53 4.923 -4.293 -1.162 1.00 0.30 H new ATOM 0 HD1 PHE A 53 7.968 -4.690 0.971 1.00 0.45 H new ATOM 0 HD2 PHE A 53 5.918 -2.283 -1.932 1.00 0.49 H new ATOM 0 HE1 PHE A 53 10.000 -3.297 0.692 1.00 0.49 H new ATOM 0 HE2 PHE A 53 7.946 -0.888 -2.212 1.00 0.52 H new ATOM 0 HZ PHE A 53 9.988 -1.393 -0.901 1.00 0.42 H new ATOM 543 N LEU A 54 3.892 -1.957 0.174 1.00 0.27 N ATOM 544 CA LEU A 54 3.615 -0.496 0.224 1.00 0.29 C ATOM 545 C LEU A 54 2.889 -0.179 1.531 1.00 0.27 C ATOM 546 O LEU A 54 3.209 0.773 2.213 1.00 0.31 O ATOM 547 CB LEU A 54 2.710 -0.224 -0.981 1.00 0.33 C ATOM 548 CG LEU A 54 3.484 0.564 -2.038 1.00 0.40 C ATOM 549 CD1 LEU A 54 4.665 -0.272 -2.536 1.00 0.57 C ATOM 550 CD2 LEU A 54 2.554 0.880 -3.212 1.00 0.49 C ATOM 0 H LEU A 54 3.459 -2.454 -0.605 1.00 0.27 H new ATOM 0 HA LEU A 54 4.517 0.116 0.188 1.00 0.29 H new ATOM 0 HB2 LEU A 54 2.356 -1.165 -1.402 1.00 0.33 H new ATOM 0 HB3 LEU A 54 1.829 0.337 -0.668 1.00 0.33 H new ATOM 0 HG LEU A 54 3.855 1.492 -1.603 1.00 0.40 H new ATOM 0 HD11 LEU A 54 5.217 0.290 -3.290 1.00 0.57 H new ATOM 0 HD12 LEU A 54 5.325 -0.503 -1.700 1.00 0.57 H new ATOM 0 HD13 LEU A 54 4.295 -1.199 -2.974 1.00 0.57 H new ATOM 0 HD21 LEU A 54 3.101 1.442 -3.969 1.00 0.49 H new ATOM 0 HD22 LEU A 54 2.187 -0.050 -3.646 1.00 0.49 H new ATOM 0 HD23 LEU A 54 1.711 1.473 -2.859 1.00 0.49 H new ATOM 562 N ARG A 55 1.925 -0.997 1.887 1.00 0.27 N ATOM 563 CA ARG A 55 1.169 -0.779 3.159 1.00 0.30 C ATOM 564 C ARG A 55 2.055 -1.077 4.375 1.00 0.30 C ATOM 565 O ARG A 55 1.632 -0.928 5.506 1.00 0.37 O ATOM 566 CB ARG A 55 -0.006 -1.759 3.101 1.00 0.33 C ATOM 567 CG ARG A 55 -0.967 -1.478 4.260 1.00 0.45 C ATOM 568 CD ARG A 55 -0.853 -2.589 5.306 1.00 0.58 C ATOM 569 NE ARG A 55 -1.574 -2.066 6.500 1.00 0.58 N ATOM 570 CZ ARG A 55 -0.973 -2.022 7.658 1.00 0.54 C ATOM 571 NH1 ARG A 55 0.099 -1.294 7.810 1.00 0.46 N ATOM 572 NH2 ARG A 55 -1.446 -2.705 8.664 1.00 0.70 N ATOM 0 H ARG A 55 1.630 -1.810 1.347 1.00 0.27 H new ATOM 0 HA ARG A 55 0.836 0.254 3.260 1.00 0.30 H new ATOM 0 HB2 ARG A 55 -0.529 -1.660 2.150 1.00 0.33 H new ATOM 0 HB3 ARG A 55 0.359 -2.784 3.159 1.00 0.33 H new ATOM 0 HG2 ARG A 55 -0.734 -0.514 4.713 1.00 0.45 H new ATOM 0 HG3 ARG A 55 -1.990 -1.417 3.890 1.00 0.45 H new ATOM 0 HD2 ARG A 55 -1.301 -3.516 4.948 1.00 0.58 H new ATOM 0 HD3 ARG A 55 0.189 -2.808 5.538 1.00 0.58 H new ATOM 0 HE ARG A 55 -2.537 -1.742 6.413 1.00 0.58 H new ATOM 0 HH11 ARG A 55 0.468 -0.759 7.024 1.00 0.46 H new ATOM 0 HH12 ARG A 55 0.568 -1.260 8.715 1.00 0.46 H new ATOM 0 HH21 ARG A 55 -2.285 -3.273 8.545 1.00 0.70 H new ATOM 0 HH22 ARG A 55 -0.977 -2.671 9.569 1.00 0.70 H new ATOM 586 N PHE A 56 3.275 -1.499 4.154 1.00 0.27 N ATOM 587 CA PHE A 56 4.180 -1.805 5.297 1.00 0.29 C ATOM 588 C PHE A 56 5.230 -0.702 5.468 1.00 0.31 C ATOM 589 O PHE A 56 5.807 -0.556 6.529 1.00 0.36 O ATOM 590 CB PHE A 56 4.855 -3.124 4.922 1.00 0.29 C ATOM 591 CG PHE A 56 4.132 -4.270 5.588 1.00 0.31 C ATOM 592 CD1 PHE A 56 2.748 -4.424 5.422 1.00 0.35 C ATOM 593 CD2 PHE A 56 4.847 -5.179 6.372 1.00 0.40 C ATOM 594 CE1 PHE A 56 2.085 -5.488 6.042 1.00 0.43 C ATOM 595 CE2 PHE A 56 4.183 -6.242 6.991 1.00 0.51 C ATOM 596 CZ PHE A 56 2.802 -6.397 6.827 1.00 0.50 C ATOM 0 H PHE A 56 3.681 -1.644 3.230 1.00 0.27 H new ATOM 0 HA PHE A 56 3.637 -1.870 6.240 1.00 0.29 H new ATOM 0 HB2 PHE A 56 4.845 -3.254 3.840 1.00 0.29 H new ATOM 0 HB3 PHE A 56 5.900 -3.111 5.232 1.00 0.29 H new ATOM 0 HD1 PHE A 56 2.195 -3.722 4.816 1.00 0.35 H new ATOM 0 HD2 PHE A 56 5.913 -5.060 6.500 1.00 0.40 H new ATOM 0 HE1 PHE A 56 1.019 -5.608 5.915 1.00 0.43 H new ATOM 0 HE2 PHE A 56 4.736 -6.944 7.597 1.00 0.51 H new ATOM 0 HZ PHE A 56 2.290 -7.218 7.306 1.00 0.50 H new ATOM 606 N LEU A 57 5.504 0.057 4.431 1.00 0.29 N ATOM 607 CA LEU A 57 6.549 1.127 4.552 1.00 0.32 C ATOM 608 C LEU A 57 5.948 2.540 4.538 1.00 0.35 C ATOM 609 O LEU A 57 6.298 3.368 5.359 1.00 0.42 O ATOM 610 CB LEU A 57 7.456 0.932 3.335 1.00 0.34 C ATOM 611 CG LEU A 57 7.891 -0.534 3.234 1.00 0.31 C ATOM 612 CD1 LEU A 57 8.880 -0.694 2.077 1.00 0.39 C ATOM 613 CD2 LEU A 57 8.563 -0.968 4.542 1.00 0.35 C ATOM 0 H LEU A 57 5.056 -0.016 3.518 1.00 0.29 H new ATOM 0 HA LEU A 57 7.080 1.042 5.500 1.00 0.32 H new ATOM 0 HB2 LEU A 57 6.929 1.227 2.428 1.00 0.34 H new ATOM 0 HB3 LEU A 57 8.332 1.575 3.418 1.00 0.34 H new ATOM 0 HG LEU A 57 7.015 -1.157 3.056 1.00 0.31 H new ATOM 0 HD11 LEU A 57 9.190 -1.737 2.005 1.00 0.39 H new ATOM 0 HD12 LEU A 57 8.402 -0.392 1.145 1.00 0.39 H new ATOM 0 HD13 LEU A 57 9.754 -0.067 2.256 1.00 0.39 H new ATOM 0 HD21 LEU A 57 8.870 -2.011 4.465 1.00 0.35 H new ATOM 0 HD22 LEU A 57 9.438 -0.345 4.726 1.00 0.35 H new ATOM 0 HD23 LEU A 57 7.859 -0.857 5.367 1.00 0.35 H new ATOM 625 N THR A 58 5.073 2.835 3.607 1.00 0.34 N ATOM 626 CA THR A 58 4.484 4.212 3.539 1.00 0.39 C ATOM 627 C THR A 58 2.963 4.150 3.375 1.00 0.39 C ATOM 628 O THR A 58 2.277 5.148 3.502 1.00 0.46 O ATOM 629 CB THR A 58 5.129 4.843 2.305 1.00 0.45 C ATOM 630 OG1 THR A 58 6.540 4.874 2.474 1.00 0.52 O ATOM 631 CG2 THR A 58 4.605 6.266 2.122 1.00 0.58 C ATOM 0 H THR A 58 4.742 2.186 2.894 1.00 0.34 H new ATOM 0 HA THR A 58 4.671 4.783 4.448 1.00 0.39 H new ATOM 0 HB THR A 58 4.880 4.252 1.424 1.00 0.45 H new ATOM 0 HG1 THR A 58 6.955 5.277 1.683 1.00 0.52 H new ATOM 0 HG21 THR A 58 5.067 6.713 1.242 1.00 0.58 H new ATOM 0 HG22 THR A 58 3.523 6.241 1.992 1.00 0.58 H new ATOM 0 HG23 THR A 58 4.851 6.860 3.002 1.00 0.58 H new ATOM 639 N ILE A 59 2.440 2.986 3.103 1.00 0.34 N ATOM 640 CA ILE A 59 0.969 2.817 2.932 1.00 0.34 C ATOM 641 C ILE A 59 0.390 3.832 1.931 1.00 0.36 C ATOM 642 O ILE A 59 -0.495 4.596 2.267 1.00 0.42 O ATOM 643 CB ILE A 59 0.385 3.022 4.328 1.00 0.39 C ATOM 644 CG1 ILE A 59 1.005 2.010 5.296 1.00 0.41 C ATOM 645 CG2 ILE A 59 -1.132 2.810 4.277 1.00 0.45 C ATOM 646 CD1 ILE A 59 2.152 2.662 6.073 1.00 0.40 C ATOM 0 H ILE A 59 2.981 2.129 2.990 1.00 0.34 H new ATOM 0 HA ILE A 59 0.723 1.837 2.523 1.00 0.34 H new ATOM 0 HB ILE A 59 0.605 4.033 4.670 1.00 0.39 H new ATOM 0 HG12 ILE A 59 0.247 1.646 5.989 1.00 0.41 H new ATOM 0 HG13 ILE A 59 1.374 1.146 4.744 1.00 0.41 H new ATOM 0 HG21 ILE A 59 -1.553 2.955 5.272 1.00 0.45 H new ATOM 0 HG22 ILE A 59 -1.577 3.527 3.586 1.00 0.45 H new ATOM 0 HG23 ILE A 59 -1.347 1.797 3.937 1.00 0.45 H new ATOM 0 HD11 ILE A 59 2.587 1.935 6.759 1.00 0.40 H new ATOM 0 HD12 ILE A 59 2.916 3.004 5.375 1.00 0.40 H new ATOM 0 HD13 ILE A 59 1.771 3.512 6.639 1.00 0.40 H new ATOM 658 N PRO A 60 0.895 3.793 0.722 1.00 0.35 N ATOM 659 CA PRO A 60 0.412 4.669 -0.356 1.00 0.39 C ATOM 660 C PRO A 60 -0.468 3.851 -1.329 1.00 0.35 C ATOM 661 O PRO A 60 -0.087 3.647 -2.468 1.00 0.39 O ATOM 662 CB PRO A 60 1.724 5.059 -1.038 1.00 0.46 C ATOM 663 CG PRO A 60 2.682 3.927 -0.735 1.00 0.45 C ATOM 664 CD PRO A 60 1.989 2.978 0.221 1.00 0.37 C ATOM 0 HA PRO A 60 -0.189 5.515 -0.023 1.00 0.39 H new ATOM 0 HB2 PRO A 60 1.588 5.182 -2.112 1.00 0.46 H new ATOM 0 HB3 PRO A 60 2.101 6.007 -0.654 1.00 0.46 H new ATOM 0 HG2 PRO A 60 2.963 3.408 -1.652 1.00 0.45 H new ATOM 0 HG3 PRO A 60 3.601 4.312 -0.292 1.00 0.45 H new ATOM 0 HD2 PRO A 60 1.631 2.081 -0.284 1.00 0.37 H new ATOM 0 HD3 PRO A 60 2.652 2.650 1.021 1.00 0.37 H new ATOM 672 N PRO A 61 -1.609 3.380 -0.862 1.00 0.34 N ATOM 673 CA PRO A 61 -2.489 2.564 -1.733 1.00 0.34 C ATOM 674 C PRO A 61 -3.081 3.422 -2.850 1.00 0.33 C ATOM 675 O PRO A 61 -3.814 4.362 -2.601 1.00 0.36 O ATOM 676 CB PRO A 61 -3.577 2.061 -0.791 1.00 0.36 C ATOM 677 CG PRO A 61 -3.602 3.052 0.320 1.00 0.37 C ATOM 678 CD PRO A 61 -2.190 3.555 0.475 1.00 0.37 C ATOM 0 HA PRO A 61 -1.960 1.749 -2.227 1.00 0.34 H new ATOM 0 HB2 PRO A 61 -4.542 2.006 -1.294 1.00 0.36 H new ATOM 0 HB3 PRO A 61 -3.351 1.060 -0.424 1.00 0.36 H new ATOM 0 HG2 PRO A 61 -4.283 3.872 0.093 1.00 0.37 H new ATOM 0 HG3 PRO A 61 -3.953 2.591 1.243 1.00 0.37 H new ATOM 0 HD2 PRO A 61 -2.169 4.599 0.787 1.00 0.37 H new ATOM 0 HD3 PRO A 61 -1.643 2.986 1.227 1.00 0.37 H new ATOM 686 N THR A 62 -2.765 3.102 -4.078 1.00 0.32 N ATOM 687 CA THR A 62 -3.300 3.889 -5.230 1.00 0.30 C ATOM 688 C THR A 62 -4.837 3.908 -5.178 1.00 0.29 C ATOM 689 O THR A 62 -5.452 3.076 -4.541 1.00 0.31 O ATOM 690 CB THR A 62 -2.753 3.163 -6.478 1.00 0.30 C ATOM 691 OG1 THR A 62 -1.791 3.993 -7.112 1.00 0.36 O ATOM 692 CG2 THR A 62 -3.872 2.844 -7.474 1.00 0.28 C ATOM 0 H THR A 62 -2.156 2.325 -4.334 1.00 0.32 H new ATOM 0 HA THR A 62 -2.995 4.935 -5.226 1.00 0.30 H new ATOM 0 HB THR A 62 -2.301 2.224 -6.158 1.00 0.30 H new ATOM 0 HG1 THR A 62 -1.438 3.538 -7.905 1.00 0.36 H new ATOM 0 HG21 THR A 62 -3.453 2.333 -8.341 1.00 0.28 H new ATOM 0 HG22 THR A 62 -4.612 2.201 -6.997 1.00 0.28 H new ATOM 0 HG23 THR A 62 -4.349 3.770 -7.794 1.00 0.28 H new ATOM 700 N ALA A 63 -5.449 4.865 -5.835 1.00 0.30 N ATOM 701 CA ALA A 63 -6.945 4.973 -5.829 1.00 0.33 C ATOM 702 C ALA A 63 -7.599 3.626 -6.156 1.00 0.30 C ATOM 703 O ALA A 63 -8.553 3.218 -5.521 1.00 0.33 O ATOM 704 CB ALA A 63 -7.269 5.997 -6.917 1.00 0.40 C ATOM 0 H ALA A 63 -4.972 5.583 -6.380 1.00 0.30 H new ATOM 0 HA ALA A 63 -7.323 5.269 -4.850 1.00 0.33 H new ATOM 0 HB1 ALA A 63 -8.349 6.134 -6.977 1.00 0.40 H new ATOM 0 HB2 ALA A 63 -6.795 6.948 -6.674 1.00 0.40 H new ATOM 0 HB3 ALA A 63 -6.895 5.640 -7.876 1.00 0.40 H new ATOM 710 N GLY A 64 -7.094 2.943 -7.148 1.00 0.29 N ATOM 711 CA GLY A 64 -7.679 1.625 -7.538 1.00 0.30 C ATOM 712 C GLY A 64 -7.632 0.647 -6.360 1.00 0.27 C ATOM 713 O GLY A 64 -8.573 -0.075 -6.119 1.00 0.31 O ATOM 0 H GLY A 64 -6.296 3.242 -7.709 1.00 0.29 H new ATOM 0 HA2 GLY A 64 -8.710 1.761 -7.865 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -7.128 1.212 -8.383 1.00 0.30 H new ATOM 717 N ILE A 65 -6.542 0.612 -5.634 1.00 0.26 N ATOM 718 CA ILE A 65 -6.425 -0.328 -4.473 1.00 0.26 C ATOM 719 C ILE A 65 -7.648 -0.211 -3.558 1.00 0.25 C ATOM 720 O ILE A 65 -8.115 -1.191 -3.011 1.00 0.29 O ATOM 721 CB ILE A 65 -5.151 0.102 -3.730 1.00 0.27 C ATOM 722 CG1 ILE A 65 -3.944 0.010 -4.673 1.00 0.32 C ATOM 723 CG2 ILE A 65 -4.918 -0.811 -2.520 1.00 0.29 C ATOM 724 CD1 ILE A 65 -3.872 -1.393 -5.278 1.00 0.37 C ATOM 0 H ILE A 65 -5.722 1.197 -5.796 1.00 0.26 H new ATOM 0 HA ILE A 65 -6.375 -1.368 -4.797 1.00 0.26 H new ATOM 0 HB ILE A 65 -5.271 1.131 -3.390 1.00 0.27 H new ATOM 0 HG12 ILE A 65 -4.030 0.754 -5.465 1.00 0.32 H new ATOM 0 HG13 ILE A 65 -3.026 0.230 -4.128 1.00 0.32 H new ATOM 0 HG21 ILE A 65 -4.013 -0.500 -1.998 1.00 0.29 H new ATOM 0 HG22 ILE A 65 -5.769 -0.742 -1.843 1.00 0.29 H new ATOM 0 HG23 ILE A 65 -4.806 -1.841 -2.858 1.00 0.29 H new ATOM 0 HD11 ILE A 65 -3.014 -1.457 -5.948 1.00 0.37 H new ATOM 0 HD12 ILE A 65 -3.765 -2.128 -4.480 1.00 0.37 H new ATOM 0 HD13 ILE A 65 -4.785 -1.595 -5.838 1.00 0.37 H new ATOM 736 N LEU A 66 -8.170 0.977 -3.396 1.00 0.27 N ATOM 737 CA LEU A 66 -9.364 1.157 -2.518 1.00 0.31 C ATOM 738 C LEU A 66 -10.647 0.848 -3.296 1.00 0.31 C ATOM 739 O LEU A 66 -11.458 0.047 -2.871 1.00 0.37 O ATOM 740 CB LEU A 66 -9.339 2.629 -2.088 1.00 0.38 C ATOM 741 CG LEU A 66 -8.218 2.875 -1.066 1.00 0.41 C ATOM 742 CD1 LEU A 66 -8.305 1.853 0.073 1.00 0.50 C ATOM 743 CD2 LEU A 66 -6.859 2.753 -1.759 1.00 0.43 C ATOM 0 H LEU A 66 -7.821 1.830 -3.834 1.00 0.27 H new ATOM 0 HA LEU A 66 -9.341 0.486 -1.659 1.00 0.31 H new ATOM 0 HB2 LEU A 66 -9.190 3.266 -2.960 1.00 0.38 H new ATOM 0 HB3 LEU A 66 -10.301 2.903 -1.654 1.00 0.38 H new ATOM 0 HG LEU A 66 -8.331 3.877 -0.652 1.00 0.41 H new ATOM 0 HD11 LEU A 66 -7.505 2.038 0.790 1.00 0.50 H new ATOM 0 HD12 LEU A 66 -9.269 1.946 0.573 1.00 0.50 H new ATOM 0 HD13 LEU A 66 -8.202 0.847 -0.333 1.00 0.50 H new ATOM 0 HD21 LEU A 66 -6.064 2.928 -1.034 1.00 0.43 H new ATOM 0 HD22 LEU A 66 -6.754 1.753 -2.180 1.00 0.43 H new ATOM 0 HD23 LEU A 66 -6.790 3.492 -2.558 1.00 0.43 H new ATOM 755 N LYS A 67 -10.832 1.475 -4.432 1.00 0.32 N ATOM 756 CA LYS A 67 -12.063 1.219 -5.245 1.00 0.36 C ATOM 757 C LYS A 67 -12.166 -0.270 -5.582 1.00 0.34 C ATOM 758 O LYS A 67 -13.246 -0.821 -5.686 1.00 0.42 O ATOM 759 CB LYS A 67 -11.881 2.041 -6.521 1.00 0.40 C ATOM 760 CG LYS A 67 -12.291 3.491 -6.259 1.00 0.46 C ATOM 761 CD LYS A 67 -13.818 3.587 -6.195 1.00 0.55 C ATOM 762 CE LYS A 67 -14.411 3.297 -7.577 1.00 0.63 C ATOM 763 NZ LYS A 67 -15.433 2.238 -7.345 1.00 0.83 N ATOM 0 H LYS A 67 -10.184 2.153 -4.832 1.00 0.32 H new ATOM 0 HA LYS A 67 -12.973 1.494 -4.712 1.00 0.36 H new ATOM 0 HB2 LYS A 67 -10.842 1.999 -6.847 1.00 0.40 H new ATOM 0 HB3 LYS A 67 -12.485 1.621 -7.325 1.00 0.40 H new ATOM 0 HG2 LYS A 67 -11.855 3.840 -5.323 1.00 0.46 H new ATOM 0 HG3 LYS A 67 -11.908 4.137 -7.049 1.00 0.46 H new ATOM 0 HD2 LYS A 67 -14.207 2.877 -5.465 1.00 0.55 H new ATOM 0 HD3 LYS A 67 -14.116 4.581 -5.862 1.00 0.55 H new ATOM 0 HE2 LYS A 67 -14.861 4.191 -8.009 1.00 0.63 H new ATOM 0 HE3 LYS A 67 -13.643 2.959 -8.273 1.00 0.63 H new ATOM 0 HZ1 LYS A 67 -15.883 1.986 -8.248 1.00 0.83 H new ATOM 0 HZ2 LYS A 67 -14.975 1.397 -6.940 1.00 0.83 H new ATOM 0 HZ3 LYS A 67 -16.155 2.591 -6.685 1.00 0.83 H new ATOM 777 N ARG A 68 -11.043 -0.919 -5.745 1.00 0.28 N ATOM 778 CA ARG A 68 -11.048 -2.373 -6.069 1.00 0.29 C ATOM 779 C ARG A 68 -11.212 -3.185 -4.776 1.00 0.27 C ATOM 780 O ARG A 68 -11.803 -4.246 -4.767 1.00 0.30 O ATOM 781 CB ARG A 68 -9.687 -2.634 -6.743 1.00 0.30 C ATOM 782 CG ARG A 68 -8.610 -2.936 -5.695 1.00 0.32 C ATOM 783 CD ARG A 68 -7.255 -3.096 -6.390 1.00 0.37 C ATOM 784 NE ARG A 68 -7.333 -4.412 -7.083 1.00 0.37 N ATOM 785 CZ ARG A 68 -7.647 -4.467 -8.349 1.00 0.36 C ATOM 786 NH1 ARG A 68 -7.123 -3.616 -9.188 1.00 0.46 N ATOM 787 NH2 ARG A 68 -8.480 -5.375 -8.776 1.00 0.46 N ATOM 0 H ARG A 68 -10.117 -0.499 -5.667 1.00 0.28 H new ATOM 0 HA ARG A 68 -11.869 -2.666 -6.724 1.00 0.29 H new ATOM 0 HB2 ARG A 68 -9.773 -3.472 -7.434 1.00 0.30 H new ATOM 0 HB3 ARG A 68 -9.395 -1.764 -7.331 1.00 0.30 H new ATOM 0 HG2 ARG A 68 -8.563 -2.130 -4.963 1.00 0.32 H new ATOM 0 HG3 ARG A 68 -8.862 -3.846 -5.151 1.00 0.32 H new ATOM 0 HD2 ARG A 68 -7.076 -2.287 -7.098 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -6.437 -3.076 -5.670 1.00 0.37 H new ATOM 0 HE ARG A 68 -7.141 -5.271 -6.568 1.00 0.37 H new ATOM 0 HH11 ARG A 68 -6.468 -2.908 -8.855 1.00 0.46 H new ATOM 0 HH12 ARG A 68 -7.368 -3.658 -10.177 1.00 0.46 H new ATOM 0 HH21 ARG A 68 -8.887 -6.043 -8.121 1.00 0.46 H new ATOM 0 HH22 ARG A 68 -8.725 -5.418 -9.765 1.00 0.46 H new ATOM 801 N TRP A 69 -10.682 -2.675 -3.692 1.00 0.26 N ATOM 802 CA TRP A 69 -10.773 -3.373 -2.367 1.00 0.27 C ATOM 803 C TRP A 69 -12.184 -3.912 -2.086 1.00 0.31 C ATOM 804 O TRP A 69 -12.341 -4.927 -1.434 1.00 0.38 O ATOM 805 CB TRP A 69 -10.444 -2.281 -1.356 1.00 0.27 C ATOM 806 CG TRP A 69 -9.821 -2.873 -0.138 1.00 0.26 C ATOM 807 CD1 TRP A 69 -10.332 -2.772 1.107 1.00 0.29 C ATOM 808 CD2 TRP A 69 -8.583 -3.636 -0.013 1.00 0.28 C ATOM 809 NE1 TRP A 69 -9.493 -3.422 1.988 1.00 0.31 N ATOM 810 CE2 TRP A 69 -8.402 -3.967 1.351 1.00 0.30 C ATOM 811 CE3 TRP A 69 -7.609 -4.069 -0.933 1.00 0.32 C ATOM 812 CZ2 TRP A 69 -7.299 -4.696 1.788 1.00 0.35 C ATOM 813 CZ3 TRP A 69 -6.498 -4.804 -0.493 1.00 0.37 C ATOM 814 CH2 TRP A 69 -6.345 -5.113 0.865 1.00 0.37 C ATOM 0 H TRP A 69 -10.180 -1.787 -3.667 1.00 0.26 H new ATOM 0 HA TRP A 69 -10.107 -4.235 -2.329 1.00 0.27 H new ATOM 0 HB2 TRP A 69 -9.765 -1.555 -1.803 1.00 0.27 H new ATOM 0 HB3 TRP A 69 -11.352 -1.743 -1.083 1.00 0.27 H new ATOM 0 HD1 TRP A 69 -11.248 -2.265 1.371 1.00 0.29 H new ATOM 0 HE1 TRP A 69 -9.661 -3.490 2.992 1.00 0.31 H new ATOM 0 HE3 TRP A 69 -7.718 -3.834 -1.982 1.00 0.32 H new ATOM 0 HZ2 TRP A 69 -7.185 -4.936 2.835 1.00 0.35 H new ATOM 0 HZ3 TRP A 69 -5.756 -5.134 -1.205 1.00 0.37 H new ATOM 0 HH2 TRP A 69 -5.485 -5.676 1.196 1.00 0.37 H new ATOM 825 N GLY A 70 -13.206 -3.231 -2.543 1.00 0.32 N ATOM 826 CA GLY A 70 -14.600 -3.694 -2.267 1.00 0.39 C ATOM 827 C GLY A 70 -15.259 -4.218 -3.542 1.00 0.40 C ATOM 828 O GLY A 70 -16.419 -3.953 -3.796 1.00 0.48 O ATOM 0 H GLY A 70 -13.135 -2.376 -3.094 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -14.584 -4.479 -1.511 1.00 0.39 H new ATOM 0 HA3 GLY A 70 -15.188 -2.871 -1.860 1.00 0.39 H new ATOM 832 N THR A 71 -14.540 -4.968 -4.338 1.00 0.35 N ATOM 833 CA THR A 71 -15.143 -5.514 -5.590 1.00 0.39 C ATOM 834 C THR A 71 -14.213 -6.548 -6.238 1.00 0.38 C ATOM 835 O THR A 71 -14.159 -6.665 -7.448 1.00 0.42 O ATOM 836 CB THR A 71 -15.335 -4.301 -6.508 1.00 0.42 C ATOM 837 OG1 THR A 71 -15.936 -4.720 -7.726 1.00 0.51 O ATOM 838 CG2 THR A 71 -13.982 -3.655 -6.801 1.00 0.45 C ATOM 0 H THR A 71 -13.566 -5.225 -4.176 1.00 0.35 H new ATOM 0 HA THR A 71 -16.084 -6.028 -5.396 1.00 0.39 H new ATOM 0 HB THR A 71 -15.980 -3.574 -6.015 1.00 0.42 H new ATOM 0 HG1 THR A 71 -15.519 -5.554 -8.026 1.00 0.51 H new ATOM 0 HG21 THR A 71 -14.124 -2.794 -7.454 1.00 0.45 H new ATOM 0 HG22 THR A 71 -13.524 -3.331 -5.867 1.00 0.45 H new ATOM 0 HG23 THR A 71 -13.332 -4.379 -7.292 1.00 0.45 H new ATOM 846 N ILE A 72 -13.492 -7.307 -5.447 1.00 0.38 N ATOM 847 CA ILE A 72 -12.583 -8.339 -6.036 1.00 0.40 C ATOM 848 C ILE A 72 -13.033 -9.740 -5.599 1.00 0.41 C ATOM 849 O ILE A 72 -14.203 -10.067 -5.670 1.00 0.53 O ATOM 850 CB ILE A 72 -11.181 -8.005 -5.509 1.00 0.37 C ATOM 851 CG1 ILE A 72 -11.166 -8.082 -3.980 1.00 0.39 C ATOM 852 CG2 ILE A 72 -10.787 -6.598 -5.956 1.00 0.42 C ATOM 853 CD1 ILE A 72 -9.848 -8.705 -3.514 1.00 0.37 C ATOM 0 H ILE A 72 -13.494 -7.257 -4.428 1.00 0.38 H new ATOM 0 HA ILE A 72 -12.597 -8.333 -7.126 1.00 0.40 H new ATOM 0 HB ILE A 72 -10.468 -8.726 -5.909 1.00 0.37 H new ATOM 0 HG12 ILE A 72 -11.280 -7.085 -3.554 1.00 0.39 H new ATOM 0 HG13 ILE A 72 -12.007 -8.678 -3.627 1.00 0.39 H new ATOM 0 HG21 ILE A 72 -9.791 -6.363 -5.581 1.00 0.42 H new ATOM 0 HG22 ILE A 72 -10.785 -6.549 -7.045 1.00 0.42 H new ATOM 0 HG23 ILE A 72 -11.503 -5.877 -5.562 1.00 0.42 H new ATOM 0 HD11 ILE A 72 -9.836 -8.760 -2.425 1.00 0.37 H new ATOM 0 HD12 ILE A 72 -9.753 -9.708 -3.929 1.00 0.37 H new ATOM 0 HD13 ILE A 72 -9.015 -8.091 -3.855 1.00 0.37 H new ATOM 865 N LYS A 73 -12.122 -10.571 -5.160 1.00 0.38 N ATOM 866 CA LYS A 73 -12.503 -11.946 -4.732 1.00 0.39 C ATOM 867 C LYS A 73 -12.675 -12.017 -3.223 1.00 0.34 C ATOM 868 O LYS A 73 -13.610 -12.616 -2.729 1.00 0.36 O ATOM 869 CB LYS A 73 -11.331 -12.823 -5.158 1.00 0.43 C ATOM 870 CG LYS A 73 -11.832 -14.227 -5.478 1.00 0.45 C ATOM 871 CD LYS A 73 -12.611 -14.207 -6.795 1.00 0.56 C ATOM 872 CE LYS A 73 -13.682 -15.301 -6.772 1.00 0.65 C ATOM 873 NZ LYS A 73 -14.921 -14.617 -6.306 1.00 0.76 N ATOM 0 H LYS A 73 -11.129 -10.353 -5.080 1.00 0.38 H new ATOM 0 HA LYS A 73 -13.449 -12.259 -5.174 1.00 0.39 H new ATOM 0 HB2 LYS A 73 -10.841 -12.393 -6.032 1.00 0.43 H new ATOM 0 HB3 LYS A 73 -10.587 -12.864 -4.363 1.00 0.43 H new ATOM 0 HG2 LYS A 73 -10.991 -14.916 -5.552 1.00 0.45 H new ATOM 0 HG3 LYS A 73 -12.470 -14.589 -4.672 1.00 0.45 H new ATOM 0 HD2 LYS A 73 -13.075 -13.232 -6.940 1.00 0.56 H new ATOM 0 HD3 LYS A 73 -11.933 -14.365 -7.633 1.00 0.56 H new ATOM 0 HE2 LYS A 73 -13.821 -15.739 -7.761 1.00 0.65 H new ATOM 0 HE3 LYS A 73 -13.403 -16.113 -6.100 1.00 0.65 H new ATOM 0 HZ1 LYS A 73 -15.701 -15.303 -6.264 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 -14.761 -14.216 -5.360 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 -15.166 -13.854 -6.968 1.00 0.76 H new ATOM 887 N LYS A 74 -11.755 -11.431 -2.502 1.00 0.32 N ATOM 888 CA LYS A 74 -11.786 -11.453 -1.005 1.00 0.30 C ATOM 889 C LYS A 74 -11.568 -12.883 -0.498 1.00 0.30 C ATOM 890 O LYS A 74 -10.703 -13.127 0.317 1.00 0.31 O ATOM 891 CB LYS A 74 -13.159 -10.925 -0.562 1.00 0.32 C ATOM 892 CG LYS A 74 -13.121 -9.409 -0.272 1.00 0.34 C ATOM 893 CD LYS A 74 -12.182 -8.662 -1.227 1.00 0.34 C ATOM 894 CE LYS A 74 -11.221 -7.795 -0.411 1.00 0.32 C ATOM 895 NZ LYS A 74 -12.094 -6.877 0.377 1.00 0.32 N ATOM 0 H LYS A 74 -10.962 -10.925 -2.897 1.00 0.32 H new ATOM 0 HA LYS A 74 -10.993 -10.830 -0.592 1.00 0.30 H new ATOM 0 HB2 LYS A 74 -13.895 -11.128 -1.339 1.00 0.32 H new ATOM 0 HB3 LYS A 74 -13.483 -11.459 0.332 1.00 0.32 H new ATOM 0 HG2 LYS A 74 -14.127 -8.999 -0.359 1.00 0.34 H new ATOM 0 HG3 LYS A 74 -12.797 -9.245 0.756 1.00 0.34 H new ATOM 0 HD2 LYS A 74 -11.622 -9.372 -1.836 1.00 0.34 H new ATOM 0 HD3 LYS A 74 -12.759 -8.041 -1.912 1.00 0.34 H new ATOM 0 HE2 LYS A 74 -10.599 -8.406 0.244 1.00 0.32 H new ATOM 0 HE3 LYS A 74 -10.547 -7.236 -1.060 1.00 0.32 H new ATOM 0 HZ1 LYS A 74 -11.510 -6.145 0.828 1.00 0.32 H new ATOM 0 HZ2 LYS A 74 -12.785 -6.427 -0.256 1.00 0.32 H new ATOM 0 HZ3 LYS A 74 -12.596 -7.419 1.109 1.00 0.32 H new ATOM 909 N SER A 75 -12.328 -13.833 -0.988 1.00 0.32 N ATOM 910 CA SER A 75 -12.145 -15.247 -0.545 1.00 0.35 C ATOM 911 C SER A 75 -10.717 -15.678 -0.862 1.00 0.35 C ATOM 912 O SER A 75 -10.066 -16.340 -0.077 1.00 0.40 O ATOM 913 CB SER A 75 -13.150 -16.060 -1.360 1.00 0.41 C ATOM 914 OG SER A 75 -12.865 -15.909 -2.744 1.00 0.47 O ATOM 0 H SER A 75 -13.067 -13.688 -1.676 1.00 0.32 H new ATOM 0 HA SER A 75 -12.306 -15.383 0.524 1.00 0.35 H new ATOM 0 HB2 SER A 75 -13.097 -17.112 -1.079 1.00 0.41 H new ATOM 0 HB3 SER A 75 -14.165 -15.724 -1.147 1.00 0.41 H new ATOM 0 HG SER A 75 -13.507 -16.431 -3.269 1.00 0.47 H new ATOM 920 N LYS A 76 -10.224 -15.275 -2.004 1.00 0.34 N ATOM 921 CA LYS A 76 -8.829 -15.620 -2.388 1.00 0.34 C ATOM 922 C LYS A 76 -7.867 -14.689 -1.649 1.00 0.31 C ATOM 923 O LYS A 76 -6.804 -15.092 -1.224 1.00 0.35 O ATOM 924 CB LYS A 76 -8.760 -15.382 -3.896 1.00 0.37 C ATOM 925 CG LYS A 76 -8.917 -16.713 -4.638 1.00 0.43 C ATOM 926 CD LYS A 76 -7.645 -17.005 -5.438 1.00 0.53 C ATOM 927 CE LYS A 76 -6.545 -17.492 -4.492 1.00 0.50 C ATOM 928 NZ LYS A 76 -5.822 -18.548 -5.254 1.00 0.55 N ATOM 0 H LYS A 76 -10.734 -14.718 -2.690 1.00 0.34 H new ATOM 0 HA LYS A 76 -8.558 -16.645 -2.136 1.00 0.34 H new ATOM 0 HB2 LYS A 76 -9.545 -14.690 -4.201 1.00 0.37 H new ATOM 0 HB3 LYS A 76 -7.808 -14.919 -4.157 1.00 0.37 H new ATOM 0 HG2 LYS A 76 -9.105 -17.518 -3.927 1.00 0.43 H new ATOM 0 HG3 LYS A 76 -9.777 -16.670 -5.306 1.00 0.43 H new ATOM 0 HD2 LYS A 76 -7.846 -17.760 -6.198 1.00 0.53 H new ATOM 0 HD3 LYS A 76 -7.318 -16.106 -5.961 1.00 0.53 H new ATOM 0 HE2 LYS A 76 -5.876 -16.678 -4.213 1.00 0.50 H new ATOM 0 HE3 LYS A 76 -6.966 -17.890 -3.569 1.00 0.50 H new ATOM 0 HZ1 LYS A 76 -5.051 -18.931 -4.670 1.00 0.55 H new ATOM 0 HZ2 LYS A 76 -6.483 -19.312 -5.500 1.00 0.55 H new ATOM 0 HZ3 LYS A 76 -5.426 -18.139 -6.124 1.00 0.55 H new ATOM 942 N ALA A 77 -8.251 -13.444 -1.483 1.00 0.29 N ATOM 943 CA ALA A 77 -7.380 -12.472 -0.755 1.00 0.27 C ATOM 944 C ALA A 77 -7.192 -12.942 0.685 1.00 0.25 C ATOM 945 O ALA A 77 -6.084 -13.039 1.180 1.00 0.27 O ATOM 946 CB ALA A 77 -8.145 -11.148 -0.779 1.00 0.29 C ATOM 0 H ALA A 77 -9.133 -13.061 -1.822 1.00 0.29 H new ATOM 0 HA ALA A 77 -6.393 -12.377 -1.208 1.00 0.27 H new ATOM 0 HB1 ALA A 77 -7.566 -10.384 -0.261 1.00 0.29 H new ATOM 0 HB2 ALA A 77 -8.309 -10.841 -1.812 1.00 0.29 H new ATOM 0 HB3 ALA A 77 -9.106 -11.274 -0.281 1.00 0.29 H new ATOM 952 N ILE A 78 -8.275 -13.245 1.352 1.00 0.25 N ATOM 953 CA ILE A 78 -8.183 -13.724 2.760 1.00 0.26 C ATOM 954 C ILE A 78 -7.385 -15.031 2.791 1.00 0.27 C ATOM 955 O ILE A 78 -6.484 -15.203 3.593 1.00 0.32 O ATOM 956 CB ILE A 78 -9.631 -13.955 3.203 1.00 0.28 C ATOM 957 CG1 ILE A 78 -10.439 -12.654 3.067 1.00 0.27 C ATOM 958 CG2 ILE A 78 -9.650 -14.410 4.663 1.00 0.34 C ATOM 959 CD1 ILE A 78 -11.918 -12.987 2.888 1.00 0.31 C ATOM 0 H ILE A 78 -9.222 -13.180 0.979 1.00 0.25 H new ATOM 0 HA ILE A 78 -7.679 -13.016 3.419 1.00 0.26 H new ATOM 0 HB ILE A 78 -10.078 -14.722 2.570 1.00 0.28 H new ATOM 0 HG12 ILE A 78 -10.300 -12.033 3.952 1.00 0.27 H new ATOM 0 HG13 ILE A 78 -10.080 -12.078 2.214 1.00 0.27 H new ATOM 0 HG21 ILE A 78 -10.680 -14.575 4.979 1.00 0.34 H new ATOM 0 HG22 ILE A 78 -9.087 -15.338 4.762 1.00 0.34 H new ATOM 0 HG23 ILE A 78 -9.196 -13.642 5.289 1.00 0.34 H new ATOM 0 HD11 ILE A 78 -12.490 -12.064 2.792 1.00 0.31 H new ATOM 0 HD12 ILE A 78 -12.049 -13.590 1.990 1.00 0.31 H new ATOM 0 HD13 ILE A 78 -12.273 -13.545 3.755 1.00 0.31 H new ATOM 971 N ASN A 79 -7.695 -15.945 1.899 1.00 0.28 N ATOM 972 CA ASN A 79 -6.941 -17.234 1.849 1.00 0.31 C ATOM 973 C ASN A 79 -5.466 -16.933 1.591 1.00 0.31 C ATOM 974 O ASN A 79 -4.586 -17.539 2.172 1.00 0.36 O ATOM 975 CB ASN A 79 -7.544 -18.013 0.680 1.00 0.35 C ATOM 976 CG ASN A 79 -8.620 -18.967 1.202 1.00 0.40 C ATOM 977 OD1 ASN A 79 -8.351 -19.804 2.041 1.00 0.60 O ATOM 978 ND2 ASN A 79 -9.837 -18.877 0.738 1.00 0.53 N ATOM 0 H ASN A 79 -8.437 -15.851 1.206 1.00 0.28 H new ATOM 0 HA ASN A 79 -7.010 -17.801 2.777 1.00 0.31 H new ATOM 0 HB2 ASN A 79 -7.975 -17.324 -0.046 1.00 0.35 H new ATOM 0 HB3 ASN A 79 -6.765 -18.574 0.163 1.00 0.35 H new ATOM 0 HD21 ASN A 79 -10.561 -19.509 1.080 1.00 0.53 H new ATOM 0 HD22 ASN A 79 -10.064 -18.175 0.034 1.00 0.53 H new ATOM 985 N VAL A 80 -5.199 -15.974 0.737 1.00 0.30 N ATOM 986 CA VAL A 80 -3.787 -15.590 0.447 1.00 0.31 C ATOM 987 C VAL A 80 -3.134 -15.147 1.755 1.00 0.31 C ATOM 988 O VAL A 80 -2.035 -15.554 2.084 1.00 0.36 O ATOM 989 CB VAL A 80 -3.891 -14.429 -0.561 1.00 0.33 C ATOM 990 CG1 VAL A 80 -2.906 -13.306 -0.209 1.00 0.35 C ATOM 991 CG2 VAL A 80 -3.577 -14.951 -1.965 1.00 0.43 C ATOM 0 H VAL A 80 -5.903 -15.440 0.228 1.00 0.30 H new ATOM 0 HA VAL A 80 -3.183 -16.400 0.038 1.00 0.31 H new ATOM 0 HB VAL A 80 -4.904 -14.027 -0.523 1.00 0.33 H new ATOM 0 HG11 VAL A 80 -3.000 -12.499 -0.936 1.00 0.35 H new ATOM 0 HG12 VAL A 80 -3.130 -12.925 0.787 1.00 0.35 H new ATOM 0 HG13 VAL A 80 -1.888 -13.695 -0.228 1.00 0.35 H new ATOM 0 HG21 VAL A 80 -3.649 -14.133 -2.682 1.00 0.43 H new ATOM 0 HG22 VAL A 80 -2.567 -15.361 -1.983 1.00 0.43 H new ATOM 0 HG23 VAL A 80 -4.290 -15.731 -2.231 1.00 0.43 H new ATOM 1001 N LEU A 81 -3.821 -14.322 2.506 1.00 0.31 N ATOM 1002 CA LEU A 81 -3.270 -13.848 3.809 1.00 0.34 C ATOM 1003 C LEU A 81 -2.922 -15.051 4.690 1.00 0.35 C ATOM 1004 O LEU A 81 -1.945 -15.040 5.416 1.00 0.38 O ATOM 1005 CB LEU A 81 -4.388 -13.015 4.432 1.00 0.37 C ATOM 1006 CG LEU A 81 -3.804 -11.715 4.981 1.00 0.69 C ATOM 1007 CD1 LEU A 81 -4.760 -10.557 4.691 1.00 0.95 C ATOM 1008 CD2 LEU A 81 -3.606 -11.850 6.489 1.00 1.02 C ATOM 0 H LEU A 81 -4.743 -13.956 2.270 1.00 0.31 H new ATOM 0 HA LEU A 81 -2.356 -13.265 3.694 1.00 0.34 H new ATOM 0 HB2 LEU A 81 -5.153 -12.797 3.687 1.00 0.37 H new ATOM 0 HB3 LEU A 81 -4.872 -13.576 5.232 1.00 0.37 H new ATOM 0 HG LEU A 81 -2.845 -11.516 4.502 1.00 0.69 H new ATOM 0 HD11 LEU A 81 -4.340 -9.631 5.084 1.00 0.95 H new ATOM 0 HD12 LEU A 81 -4.901 -10.463 3.614 1.00 0.95 H new ATOM 0 HD13 LEU A 81 -5.721 -10.751 5.168 1.00 0.95 H new ATOM 0 HD21 LEU A 81 -3.189 -10.924 6.886 1.00 1.02 H new ATOM 0 HD22 LEU A 81 -4.566 -12.049 6.966 1.00 1.02 H new ATOM 0 HD23 LEU A 81 -2.921 -12.673 6.694 1.00 1.02 H new ATOM 1020 N ARG A 82 -3.700 -16.103 4.608 1.00 0.34 N ATOM 1021 CA ARG A 82 -3.387 -17.318 5.416 1.00 0.38 C ATOM 1022 C ARG A 82 -2.045 -17.874 4.941 1.00 0.35 C ATOM 1023 O ARG A 82 -1.176 -18.201 5.730 1.00 0.39 O ATOM 1024 CB ARG A 82 -4.520 -18.305 5.127 1.00 0.43 C ATOM 1025 CG ARG A 82 -4.933 -19.003 6.425 1.00 0.55 C ATOM 1026 CD ARG A 82 -5.842 -18.077 7.240 1.00 0.62 C ATOM 1027 NE ARG A 82 -7.139 -18.803 7.345 1.00 0.66 N ATOM 1028 CZ ARG A 82 -8.261 -18.137 7.351 1.00 0.84 C ATOM 1029 NH1 ARG A 82 -8.602 -17.424 6.313 1.00 1.17 N ATOM 1030 NH2 ARG A 82 -9.042 -18.183 8.396 1.00 0.94 N ATOM 0 H ARG A 82 -4.531 -16.171 4.021 1.00 0.34 H new ATOM 0 HA ARG A 82 -3.313 -17.118 6.485 1.00 0.38 H new ATOM 0 HB2 ARG A 82 -5.373 -17.780 4.697 1.00 0.43 H new ATOM 0 HB3 ARG A 82 -4.196 -19.042 4.392 1.00 0.43 H new ATOM 0 HG2 ARG A 82 -5.453 -19.934 6.199 1.00 0.55 H new ATOM 0 HG3 ARG A 82 -4.049 -19.265 7.006 1.00 0.55 H new ATOM 0 HD2 ARG A 82 -5.421 -17.878 8.225 1.00 0.62 H new ATOM 0 HD3 ARG A 82 -5.968 -17.113 6.746 1.00 0.62 H new ATOM 0 HE ARG A 82 -7.150 -19.821 7.412 1.00 0.66 H new ATOM 0 HH11 ARG A 82 -7.991 -17.387 5.497 1.00 1.17 H new ATOM 0 HH12 ARG A 82 -9.479 -16.903 6.318 1.00 1.17 H new ATOM 0 HH21 ARG A 82 -8.775 -18.740 9.208 1.00 0.94 H new ATOM 0 HH22 ARG A 82 -9.919 -17.662 8.401 1.00 0.94 H new ATOM 1044 N GLY A 83 -1.867 -17.952 3.645 1.00 0.34 N ATOM 1045 CA GLY A 83 -0.580 -18.451 3.087 1.00 0.37 C ATOM 1046 C GLY A 83 0.524 -17.464 3.462 1.00 0.34 C ATOM 1047 O GLY A 83 1.659 -17.842 3.681 1.00 0.38 O ATOM 0 H GLY A 83 -2.564 -17.689 2.949 1.00 0.34 H new ATOM 0 HA2 GLY A 83 -0.354 -19.441 3.483 1.00 0.37 H new ATOM 0 HA3 GLY A 83 -0.649 -18.549 2.004 1.00 0.37 H new ATOM 1051 N PHE A 84 0.189 -16.197 3.554 1.00 0.31 N ATOM 1052 CA PHE A 84 1.208 -15.172 3.938 1.00 0.31 C ATOM 1053 C PHE A 84 1.790 -15.538 5.306 1.00 0.31 C ATOM 1054 O PHE A 84 2.987 -15.483 5.518 1.00 0.36 O ATOM 1055 CB PHE A 84 0.445 -13.845 4.015 1.00 0.33 C ATOM 1056 CG PHE A 84 0.808 -12.970 2.848 1.00 0.58 C ATOM 1057 CD1 PHE A 84 0.284 -13.246 1.582 1.00 0.89 C ATOM 1058 CD2 PHE A 84 1.658 -11.875 3.035 1.00 0.88 C ATOM 1059 CE1 PHE A 84 0.612 -12.427 0.500 1.00 1.27 C ATOM 1060 CE2 PHE A 84 1.983 -11.055 1.953 1.00 1.26 C ATOM 1061 CZ PHE A 84 1.460 -11.332 0.686 1.00 1.39 C ATOM 0 H PHE A 84 -0.747 -15.831 3.379 1.00 0.31 H new ATOM 0 HA PHE A 84 2.033 -15.111 3.229 1.00 0.31 H new ATOM 0 HB2 PHE A 84 -0.629 -14.034 4.017 1.00 0.33 H new ATOM 0 HB3 PHE A 84 0.681 -13.335 4.949 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -0.373 -14.091 1.441 1.00 0.89 H new ATOM 0 HD2 PHE A 84 2.062 -11.664 4.014 1.00 0.88 H new ATOM 0 HE1 PHE A 84 0.211 -12.640 -0.480 1.00 1.27 H new ATOM 0 HE2 PHE A 84 2.638 -10.208 2.094 1.00 1.26 H new ATOM 0 HZ PHE A 84 1.712 -10.698 -0.151 1.00 1.39 H new ATOM 1071 N ARG A 85 0.943 -15.928 6.227 1.00 0.31 N ATOM 1072 CA ARG A 85 1.428 -16.322 7.584 1.00 0.33 C ATOM 1073 C ARG A 85 2.221 -17.627 7.481 1.00 0.33 C ATOM 1074 O ARG A 85 3.178 -17.843 8.199 1.00 0.36 O ATOM 1075 CB ARG A 85 0.160 -16.526 8.420 1.00 0.38 C ATOM 1076 CG ARG A 85 0.487 -16.343 9.904 1.00 0.44 C ATOM 1077 CD ARG A 85 1.398 -17.481 10.369 1.00 0.52 C ATOM 1078 NE ARG A 85 1.007 -17.734 11.785 1.00 0.61 N ATOM 1079 CZ ARG A 85 1.818 -18.371 12.588 1.00 0.64 C ATOM 1080 NH1 ARG A 85 2.640 -19.272 12.118 1.00 0.74 N ATOM 1081 NH2 ARG A 85 1.801 -18.107 13.865 1.00 0.88 N ATOM 0 H ARG A 85 -0.067 -15.990 6.096 1.00 0.31 H new ATOM 0 HA ARG A 85 2.084 -15.574 8.029 1.00 0.33 H new ATOM 0 HB2 ARG A 85 -0.607 -15.813 8.116 1.00 0.38 H new ATOM 0 HB3 ARG A 85 -0.245 -17.523 8.247 1.00 0.38 H new ATOM 0 HG2 ARG A 85 0.977 -15.382 10.064 1.00 0.44 H new ATOM 0 HG3 ARG A 85 -0.431 -16.334 10.491 1.00 0.44 H new ATOM 0 HD2 ARG A 85 1.261 -18.372 9.756 1.00 0.52 H new ATOM 0 HD3 ARG A 85 2.449 -17.201 10.294 1.00 0.52 H new ATOM 0 HE ARG A 85 0.103 -17.409 12.129 1.00 0.61 H new ATOM 0 HH11 ARG A 85 2.651 -19.481 11.120 1.00 0.74 H new ATOM 0 HH12 ARG A 85 3.271 -19.766 12.749 1.00 0.74 H new ATOM 0 HH21 ARG A 85 1.157 -17.407 14.232 1.00 0.88 H new ATOM 0 HH22 ARG A 85 2.432 -18.601 14.496 1.00 0.88 H new ATOM 1095 N LYS A 86 1.829 -18.495 6.584 1.00 0.35 N ATOM 1096 CA LYS A 86 2.564 -19.785 6.421 1.00 0.38 C ATOM 1097 C LYS A 86 3.923 -19.525 5.765 1.00 0.37 C ATOM 1098 O LYS A 86 4.920 -20.130 6.117 1.00 0.41 O ATOM 1099 CB LYS A 86 1.678 -20.638 5.509 1.00 0.43 C ATOM 1100 CG LYS A 86 0.954 -21.697 6.343 1.00 0.61 C ATOM 1101 CD LYS A 86 -0.395 -21.146 6.808 1.00 0.89 C ATOM 1102 CE LYS A 86 -0.223 -20.439 8.154 1.00 0.64 C ATOM 1103 NZ LYS A 86 -1.480 -19.662 8.343 1.00 1.13 N ATOM 0 H LYS A 86 1.033 -18.367 5.959 1.00 0.35 H new ATOM 0 HA LYS A 86 2.755 -20.281 7.373 1.00 0.38 H new ATOM 0 HB2 LYS A 86 0.953 -20.007 4.995 1.00 0.43 H new ATOM 0 HB3 LYS A 86 2.284 -21.117 4.741 1.00 0.43 H new ATOM 0 HG2 LYS A 86 0.805 -22.601 5.753 1.00 0.61 H new ATOM 0 HG3 LYS A 86 1.562 -21.975 7.204 1.00 0.61 H new ATOM 0 HD2 LYS A 86 -0.790 -20.450 6.068 1.00 0.89 H new ATOM 0 HD3 LYS A 86 -1.118 -21.956 6.901 1.00 0.89 H new ATOM 0 HE2 LYS A 86 -0.077 -21.157 8.961 1.00 0.64 H new ATOM 0 HE3 LYS A 86 0.649 -19.785 8.148 1.00 0.64 H new ATOM 0 HZ1 LYS A 86 -1.404 -19.083 9.203 1.00 1.13 H new ATOM 0 HZ2 LYS A 86 -1.632 -19.043 7.521 1.00 1.13 H new ATOM 0 HZ3 LYS A 86 -2.282 -20.317 8.436 1.00 1.13 H new ATOM 1117 N GLU A 87 3.965 -18.620 4.819 1.00 0.34 N ATOM 1118 CA GLU A 87 5.252 -18.302 4.134 1.00 0.34 C ATOM 1119 C GLU A 87 6.176 -17.538 5.083 1.00 0.32 C ATOM 1120 O GLU A 87 7.365 -17.787 5.137 1.00 0.34 O ATOM 1121 CB GLU A 87 4.864 -17.427 2.941 1.00 0.37 C ATOM 1122 CG GLU A 87 4.232 -18.299 1.852 1.00 0.42 C ATOM 1123 CD GLU A 87 4.693 -17.817 0.475 1.00 0.42 C ATOM 1124 OE1 GLU A 87 4.539 -16.639 0.198 1.00 0.52 O ATOM 1125 OE2 GLU A 87 5.191 -18.636 -0.280 1.00 0.50 O ATOM 0 H GLU A 87 3.159 -18.087 4.492 1.00 0.34 H new ATOM 0 HA GLU A 87 5.787 -19.199 3.821 1.00 0.34 H new ATOM 0 HB2 GLU A 87 4.162 -16.655 3.256 1.00 0.37 H new ATOM 0 HB3 GLU A 87 5.744 -16.918 2.549 1.00 0.37 H new ATOM 0 HG2 GLU A 87 4.515 -19.341 1.997 1.00 0.42 H new ATOM 0 HG3 GLU A 87 3.145 -18.252 1.920 1.00 0.42 H new ATOM 1132 N ILE A 88 5.637 -16.612 5.837 1.00 0.32 N ATOM 1133 CA ILE A 88 6.488 -15.841 6.788 1.00 0.32 C ATOM 1134 C ILE A 88 6.985 -16.780 7.896 1.00 0.32 C ATOM 1135 O ILE A 88 8.137 -16.732 8.297 1.00 0.35 O ATOM 1136 CB ILE A 88 5.581 -14.714 7.319 1.00 0.35 C ATOM 1137 CG1 ILE A 88 6.437 -13.483 7.621 1.00 0.39 C ATOM 1138 CG2 ILE A 88 4.836 -15.144 8.590 1.00 0.37 C ATOM 1139 CD1 ILE A 88 6.554 -12.622 6.362 1.00 0.57 C ATOM 0 H ILE A 88 4.649 -16.359 5.834 1.00 0.32 H new ATOM 0 HA ILE A 88 7.381 -15.416 6.330 1.00 0.32 H new ATOM 0 HB ILE A 88 4.838 -14.482 6.556 1.00 0.35 H new ATOM 0 HG12 ILE A 88 5.989 -12.905 8.429 1.00 0.39 H new ATOM 0 HG13 ILE A 88 7.427 -13.789 7.958 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.206 -14.325 8.937 1.00 0.37 H new ATOM 0 HG22 ILE A 88 4.215 -16.013 8.371 1.00 0.37 H new ATOM 0 HG23 ILE A 88 5.558 -15.400 9.366 1.00 0.37 H new ATOM 0 HD11 ILE A 88 7.164 -11.745 6.577 1.00 0.57 H new ATOM 0 HD12 ILE A 88 7.021 -13.203 5.566 1.00 0.57 H new ATOM 0 HD13 ILE A 88 5.561 -12.305 6.045 1.00 0.57 H new ATOM 1151 N GLY A 89 6.128 -17.658 8.367 1.00 0.33 N ATOM 1152 CA GLY A 89 6.549 -18.629 9.420 1.00 0.34 C ATOM 1153 C GLY A 89 7.725 -19.433 8.871 1.00 0.32 C ATOM 1154 O GLY A 89 8.705 -19.682 9.553 1.00 0.34 O ATOM 0 H GLY A 89 5.157 -17.741 8.065 1.00 0.33 H new ATOM 0 HA2 GLY A 89 6.837 -18.104 10.330 1.00 0.34 H new ATOM 0 HA3 GLY A 89 5.723 -19.290 9.682 1.00 0.34 H new ATOM 1158 N ARG A 90 7.639 -19.813 7.623 1.00 0.32 N ATOM 1159 CA ARG A 90 8.753 -20.570 6.994 1.00 0.32 C ATOM 1160 C ARG A 90 9.987 -19.675 6.925 1.00 0.30 C ATOM 1161 O ARG A 90 11.106 -20.143 7.022 1.00 0.32 O ATOM 1162 CB ARG A 90 8.271 -20.903 5.583 1.00 0.33 C ATOM 1163 CG ARG A 90 7.346 -22.116 5.620 1.00 0.43 C ATOM 1164 CD ARG A 90 6.778 -22.348 4.221 1.00 0.60 C ATOM 1165 NE ARG A 90 6.695 -23.828 4.078 1.00 0.44 N ATOM 1166 CZ ARG A 90 5.557 -24.391 3.780 1.00 0.69 C ATOM 1167 NH1 ARG A 90 4.585 -24.396 4.650 1.00 1.15 N ATOM 1168 NH2 ARG A 90 5.391 -24.951 2.614 1.00 1.06 N ATOM 0 H ARG A 90 6.842 -19.630 7.014 1.00 0.32 H new ATOM 0 HA ARG A 90 9.015 -21.469 7.553 1.00 0.32 H new ATOM 0 HB2 ARG A 90 7.746 -20.048 5.158 1.00 0.33 H new ATOM 0 HB3 ARG A 90 9.125 -21.106 4.937 1.00 0.33 H new ATOM 0 HG2 ARG A 90 7.893 -22.997 5.956 1.00 0.43 H new ATOM 0 HG3 ARG A 90 6.538 -21.952 6.333 1.00 0.43 H new ATOM 0 HD2 ARG A 90 5.797 -21.886 4.112 1.00 0.60 H new ATOM 0 HD3 ARG A 90 7.422 -21.913 3.457 1.00 0.60 H new ATOM 0 HE ARG A 90 7.528 -24.401 4.213 1.00 0.44 H new ATOM 0 HH11 ARG A 90 4.715 -23.960 5.563 1.00 1.15 H new ATOM 0 HH12 ARG A 90 3.695 -24.836 4.417 1.00 1.15 H new ATOM 0 HH21 ARG A 90 6.152 -24.949 1.934 1.00 1.06 H new ATOM 0 HH22 ARG A 90 4.501 -25.391 2.382 1.00 1.06 H new ATOM 1182 N MET A 91 9.781 -18.381 6.778 1.00 0.28 N ATOM 1183 CA MET A 91 10.931 -17.432 6.714 1.00 0.29 C ATOM 1184 C MET A 91 11.742 -17.589 7.987 1.00 0.30 C ATOM 1185 O MET A 91 12.958 -17.633 7.968 1.00 0.35 O ATOM 1186 CB MET A 91 10.304 -16.039 6.626 1.00 0.31 C ATOM 1187 CG MET A 91 11.052 -15.204 5.586 1.00 0.46 C ATOM 1188 SD MET A 91 10.210 -13.616 5.368 1.00 0.54 S ATOM 1189 CE MET A 91 8.981 -14.172 4.160 1.00 0.56 C ATOM 0 H MET A 91 8.861 -17.947 6.700 1.00 0.28 H new ATOM 0 HA MET A 91 11.595 -17.608 5.867 1.00 0.29 H new ATOM 0 HB2 MET A 91 9.252 -16.119 6.354 1.00 0.31 H new ATOM 0 HB3 MET A 91 10.345 -15.549 7.599 1.00 0.31 H new ATOM 0 HG2 MET A 91 12.081 -15.041 5.906 1.00 0.46 H new ATOM 0 HG3 MET A 91 11.095 -15.739 4.637 1.00 0.46 H new ATOM 0 HE1 MET A 91 8.145 -13.473 4.144 1.00 0.56 H new ATOM 0 HE2 MET A 91 9.437 -14.215 3.171 1.00 0.56 H new ATOM 0 HE3 MET A 91 8.621 -15.163 4.437 1.00 0.56 H new ATOM 1199 N LEU A 92 11.060 -17.716 9.091 1.00 0.30 N ATOM 1200 CA LEU A 92 11.764 -17.919 10.382 1.00 0.32 C ATOM 1201 C LEU A 92 12.491 -19.248 10.321 1.00 0.32 C ATOM 1202 O LEU A 92 13.630 -19.360 10.735 1.00 0.34 O ATOM 1203 CB LEU A 92 10.668 -17.921 11.428 1.00 0.33 C ATOM 1204 CG LEU A 92 10.028 -16.540 11.417 1.00 0.36 C ATOM 1205 CD1 LEU A 92 8.551 -16.650 11.803 1.00 0.42 C ATOM 1206 CD2 LEU A 92 10.756 -15.626 12.410 1.00 0.44 C ATOM 0 H LEU A 92 10.042 -17.687 9.152 1.00 0.30 H new ATOM 0 HA LEU A 92 12.506 -17.153 10.609 1.00 0.32 H new ATOM 0 HB2 LEU A 92 9.927 -18.689 11.207 1.00 0.33 H new ATOM 0 HB3 LEU A 92 11.077 -18.147 12.413 1.00 0.33 H new ATOM 0 HG LEU A 92 10.105 -16.117 10.415 1.00 0.36 H new ATOM 0 HD11 LEU A 92 8.098 -15.659 11.794 1.00 0.42 H new ATOM 0 HD12 LEU A 92 8.035 -17.292 11.089 1.00 0.42 H new ATOM 0 HD13 LEU A 92 8.467 -17.078 12.802 1.00 0.42 H new ATOM 0 HD21 LEU A 92 10.296 -14.638 12.400 1.00 0.44 H new ATOM 0 HD22 LEU A 92 10.686 -16.049 13.412 1.00 0.44 H new ATOM 0 HD23 LEU A 92 11.805 -15.541 12.125 1.00 0.44 H new ATOM 1218 N ASN A 93 11.853 -20.244 9.752 1.00 0.33 N ATOM 1219 CA ASN A 93 12.525 -21.564 9.601 1.00 0.35 C ATOM 1220 C ASN A 93 13.845 -21.338 8.859 1.00 0.34 C ATOM 1221 O ASN A 93 14.790 -22.091 9.004 1.00 0.40 O ATOM 1222 CB ASN A 93 11.568 -22.420 8.766 1.00 0.39 C ATOM 1223 CG ASN A 93 11.321 -23.753 9.475 1.00 0.58 C ATOM 1224 OD1 ASN A 93 12.203 -24.585 9.551 1.00 0.97 O ATOM 1225 ND2 ASN A 93 10.151 -23.992 10.000 1.00 0.89 N ATOM 0 H ASN A 93 10.901 -20.196 9.389 1.00 0.33 H new ATOM 0 HA ASN A 93 12.744 -22.051 10.551 1.00 0.35 H new ATOM 0 HB2 ASN A 93 10.625 -21.893 8.621 1.00 0.39 H new ATOM 0 HB3 ASN A 93 11.990 -22.596 7.776 1.00 0.39 H new ATOM 0 HD21 ASN A 93 9.976 -24.878 10.475 1.00 0.89 H new ATOM 0 HD22 ASN A 93 9.411 -23.293 9.936 1.00 0.89 H new ATOM 1232 N ILE A 94 13.912 -20.276 8.082 1.00 0.32 N ATOM 1233 CA ILE A 94 15.171 -19.961 7.344 1.00 0.35 C ATOM 1234 C ILE A 94 16.112 -19.154 8.240 1.00 0.34 C ATOM 1235 O ILE A 94 17.310 -19.365 8.219 1.00 0.40 O ATOM 1236 CB ILE A 94 14.788 -19.119 6.113 1.00 0.39 C ATOM 1237 CG1 ILE A 94 13.411 -19.539 5.583 1.00 0.39 C ATOM 1238 CG2 ILE A 94 15.848 -19.320 5.027 1.00 0.48 C ATOM 1239 CD1 ILE A 94 13.189 -19.008 4.161 1.00 0.60 C ATOM 0 H ILE A 94 13.147 -19.618 7.931 1.00 0.32 H new ATOM 0 HA ILE A 94 15.678 -20.879 7.046 1.00 0.35 H new ATOM 0 HB ILE A 94 14.740 -18.067 6.395 1.00 0.39 H new ATOM 0 HG12 ILE A 94 13.331 -20.626 5.587 1.00 0.39 H new ATOM 0 HG13 ILE A 94 12.631 -19.160 6.243 1.00 0.39 H new ATOM 0 HG21 ILE A 94 15.587 -18.728 4.150 1.00 0.48 H new ATOM 0 HG22 ILE A 94 16.820 -19.001 5.404 1.00 0.48 H new ATOM 0 HG23 ILE A 94 15.893 -20.374 4.753 1.00 0.48 H new ATOM 0 HD11 ILE A 94 12.206 -19.318 3.806 1.00 0.60 H new ATOM 0 HD12 ILE A 94 13.246 -17.920 4.166 1.00 0.60 H new ATOM 0 HD13 ILE A 94 13.957 -19.408 3.499 1.00 0.60 H new ATOM 1251 N LEU A 95 15.600 -18.218 9.021 1.00 0.32 N ATOM 1252 CA LEU A 95 16.528 -17.415 9.884 1.00 0.34 C ATOM 1253 C LEU A 95 16.678 -18.040 11.278 1.00 0.31 C ATOM 1254 O LEU A 95 17.207 -17.421 12.182 1.00 0.39 O ATOM 1255 CB LEU A 95 15.936 -16.005 9.969 1.00 0.39 C ATOM 1256 CG LEU A 95 14.501 -16.057 10.485 1.00 0.37 C ATOM 1257 CD1 LEU A 95 14.439 -15.472 11.896 1.00 0.49 C ATOM 1258 CD2 LEU A 95 13.603 -15.235 9.553 1.00 0.47 C ATOM 0 H LEU A 95 14.610 -17.984 9.095 1.00 0.32 H new ATOM 0 HA LEU A 95 17.530 -17.391 9.455 1.00 0.34 H new ATOM 0 HB2 LEU A 95 16.544 -15.388 10.631 1.00 0.39 H new ATOM 0 HB3 LEU A 95 15.958 -15.535 8.986 1.00 0.39 H new ATOM 0 HG LEU A 95 14.160 -17.092 10.510 1.00 0.37 H new ATOM 0 HD11 LEU A 95 13.413 -15.511 12.261 1.00 0.49 H new ATOM 0 HD12 LEU A 95 15.082 -16.051 12.559 1.00 0.49 H new ATOM 0 HD13 LEU A 95 14.778 -14.436 11.876 1.00 0.49 H new ATOM 0 HD21 LEU A 95 12.576 -15.268 9.916 1.00 0.47 H new ATOM 0 HD22 LEU A 95 13.948 -14.201 9.533 1.00 0.47 H new ATOM 0 HD23 LEU A 95 13.646 -15.651 8.546 1.00 0.47 H new ATOM 1270 N ASN A 96 16.242 -19.265 11.452 1.00 0.31 N ATOM 1271 CA ASN A 96 16.388 -19.935 12.783 1.00 0.35 C ATOM 1272 C ASN A 96 17.368 -21.110 12.676 1.00 0.40 C ATOM 1273 O ASN A 96 17.905 -21.571 13.665 1.00 0.48 O ATOM 1274 CB ASN A 96 14.991 -20.438 13.144 1.00 0.42 C ATOM 1275 CG ASN A 96 14.196 -19.302 13.791 1.00 0.53 C ATOM 1276 OD1 ASN A 96 12.967 -19.086 13.415 1.00 0.76 O flip ATOM 1277 ND2 ASN A 96 14.700 -18.604 14.648 1.00 0.63 N flip ATOM 0 H ASN A 96 15.792 -19.829 10.731 1.00 0.31 H new ATOM 0 HA ASN A 96 16.779 -19.256 13.541 1.00 0.35 H new ATOM 0 HB2 ASN A 96 14.478 -20.793 12.250 1.00 0.42 H new ATOM 0 HB3 ASN A 96 15.062 -21.283 13.828 1.00 0.42 H new ATOM 0 HD21 ASN A 96 15.662 -18.773 14.943 1.00 0.63 H new ATOM 0 HD22 ASN A 96 14.161 -17.849 15.073 1.00 0.63 H new ATOM 1738 N PRO B 43 12.065 0.555 12.093 1.00 0.44 N ATOM 1739 CA PRO B 43 11.224 -0.580 11.660 1.00 0.41 C ATOM 1740 C PRO B 43 12.103 -1.774 11.271 1.00 0.35 C ATOM 1741 O PRO B 43 11.848 -2.899 11.659 1.00 0.36 O ATOM 1742 CB PRO B 43 10.500 -0.030 10.437 1.00 0.44 C ATOM 1743 CG PRO B 43 11.386 1.054 9.896 1.00 0.47 C ATOM 1744 CD PRO B 43 12.325 1.490 10.993 1.00 0.49 C ATOM 0 HA PRO B 43 10.546 -0.936 12.436 1.00 0.41 H new ATOM 0 HB2 PRO B 43 10.338 -0.811 9.694 1.00 0.44 H new ATOM 0 HB3 PRO B 43 9.520 0.363 10.706 1.00 0.44 H new ATOM 0 HG2 PRO B 43 11.949 0.690 9.036 1.00 0.47 H new ATOM 0 HG3 PRO B 43 10.787 1.897 9.551 1.00 0.47 H new ATOM 0 HD2 PRO B 43 13.364 1.441 10.668 1.00 0.49 H new ATOM 0 HD3 PRO B 43 12.133 2.520 11.294 1.00 0.49 H new ATOM 1752 N LEU B 44 13.133 -1.526 10.500 1.00 0.35 N ATOM 1753 CA LEU B 44 14.049 -2.622 10.057 1.00 0.32 C ATOM 1754 C LEU B 44 13.264 -3.739 9.366 1.00 0.33 C ATOM 1755 O LEU B 44 13.694 -4.877 9.322 1.00 0.54 O ATOM 1756 CB LEU B 44 14.722 -3.144 11.326 1.00 0.36 C ATOM 1757 CG LEU B 44 16.051 -3.800 10.942 1.00 0.39 C ATOM 1758 CD1 LEU B 44 17.190 -3.166 11.742 1.00 0.58 C ATOM 1759 CD2 LEU B 44 15.994 -5.303 11.237 1.00 0.52 C ATOM 0 H LEU B 44 13.381 -0.599 10.155 1.00 0.35 H new ATOM 0 HA LEU B 44 14.781 -2.260 9.335 1.00 0.32 H new ATOM 0 HB2 LEU B 44 14.893 -2.327 12.027 1.00 0.36 H new ATOM 0 HB3 LEU B 44 14.076 -3.864 11.827 1.00 0.36 H new ATOM 0 HG LEU B 44 16.228 -3.648 9.877 1.00 0.39 H new ATOM 0 HD11 LEU B 44 18.134 -3.636 11.466 1.00 0.58 H new ATOM 0 HD12 LEU B 44 17.238 -2.099 11.524 1.00 0.58 H new ATOM 0 HD13 LEU B 44 17.011 -3.311 12.807 1.00 0.58 H new ATOM 0 HD21 LEU B 44 16.943 -5.764 10.962 1.00 0.52 H new ATOM 0 HD22 LEU B 44 15.810 -5.458 12.300 1.00 0.52 H new ATOM 0 HD23 LEU B 44 15.189 -5.757 10.659 1.00 0.52 H new ATOM 1771 N LYS B 45 12.126 -3.415 8.815 1.00 0.27 N ATOM 1772 CA LYS B 45 11.310 -4.445 8.106 1.00 0.27 C ATOM 1773 C LYS B 45 11.506 -4.299 6.594 1.00 0.29 C ATOM 1774 O LYS B 45 11.341 -5.241 5.848 1.00 0.35 O ATOM 1775 CB LYS B 45 9.856 -4.163 8.504 1.00 0.32 C ATOM 1776 CG LYS B 45 9.396 -2.828 7.909 1.00 0.34 C ATOM 1777 CD LYS B 45 7.907 -2.625 8.198 1.00 0.40 C ATOM 1778 CE LYS B 45 7.703 -2.367 9.693 1.00 0.42 C ATOM 1779 NZ LYS B 45 6.236 -2.506 9.910 1.00 0.44 N ATOM 0 H LYS B 45 11.724 -2.478 8.825 1.00 0.27 H new ATOM 0 HA LYS B 45 11.597 -5.462 8.371 1.00 0.27 H new ATOM 0 HB2 LYS B 45 9.212 -4.968 8.151 1.00 0.32 H new ATOM 0 HB3 LYS B 45 9.767 -4.136 9.590 1.00 0.32 H new ATOM 0 HG2 LYS B 45 9.975 -2.009 8.336 1.00 0.34 H new ATOM 0 HG3 LYS B 45 9.573 -2.817 6.834 1.00 0.34 H new ATOM 0 HD2 LYS B 45 7.525 -1.784 7.619 1.00 0.40 H new ATOM 0 HD3 LYS B 45 7.343 -3.506 7.891 1.00 0.40 H new ATOM 0 HE2 LYS B 45 8.261 -3.082 10.297 1.00 0.42 H new ATOM 0 HE3 LYS B 45 8.051 -1.373 9.973 1.00 0.42 H new ATOM 0 HZ1 LYS B 45 6.017 -2.343 10.913 1.00 0.44 H new ATOM 0 HZ2 LYS B 45 5.731 -1.808 9.327 1.00 0.44 H new ATOM 0 HZ3 LYS B 45 5.935 -3.464 9.641 1.00 0.44 H new ATOM 1793 N LEU B 46 11.857 -3.114 6.151 1.00 0.28 N ATOM 1794 CA LEU B 46 12.078 -2.862 4.692 1.00 0.33 C ATOM 1795 C LEU B 46 12.927 -3.976 4.062 1.00 0.31 C ATOM 1796 O LEU B 46 12.777 -4.297 2.896 1.00 0.36 O ATOM 1797 CB LEU B 46 12.834 -1.529 4.644 1.00 0.38 C ATOM 1798 CG LEU B 46 11.893 -0.415 4.176 1.00 0.35 C ATOM 1799 CD1 LEU B 46 11.391 0.372 5.388 1.00 0.40 C ATOM 1800 CD2 LEU B 46 12.648 0.529 3.237 1.00 0.44 C ATOM 0 H LEU B 46 12.001 -2.300 6.748 1.00 0.28 H new ATOM 0 HA LEU B 46 11.141 -2.837 4.136 1.00 0.33 H new ATOM 0 HB2 LEU B 46 13.232 -1.291 5.630 1.00 0.38 H new ATOM 0 HB3 LEU B 46 13.685 -1.607 3.967 1.00 0.38 H new ATOM 0 HG LEU B 46 11.046 -0.854 3.649 1.00 0.35 H new ATOM 0 HD11 LEU B 46 10.721 1.165 5.055 1.00 0.40 H new ATOM 0 HD12 LEU B 46 10.854 -0.298 6.060 1.00 0.40 H new ATOM 0 HD13 LEU B 46 12.239 0.810 5.914 1.00 0.40 H new ATOM 0 HD21 LEU B 46 11.979 1.322 2.903 1.00 0.44 H new ATOM 0 HD22 LEU B 46 13.495 0.967 3.765 1.00 0.44 H new ATOM 0 HD23 LEU B 46 13.008 -0.029 2.373 1.00 0.44 H new ATOM 1812 N PHE B 47 13.804 -4.577 4.830 1.00 0.29 N ATOM 1813 CA PHE B 47 14.653 -5.677 4.285 1.00 0.30 C ATOM 1814 C PHE B 47 13.802 -6.935 4.149 1.00 0.28 C ATOM 1815 O PHE B 47 13.865 -7.642 3.160 1.00 0.33 O ATOM 1816 CB PHE B 47 15.765 -5.870 5.326 1.00 0.35 C ATOM 1817 CG PHE B 47 16.526 -7.150 5.051 1.00 0.31 C ATOM 1818 CD1 PHE B 47 16.911 -7.475 3.744 1.00 0.39 C ATOM 1819 CD2 PHE B 47 16.846 -8.011 6.108 1.00 0.40 C ATOM 1820 CE1 PHE B 47 17.616 -8.659 3.496 1.00 0.47 C ATOM 1821 CE2 PHE B 47 17.550 -9.195 5.860 1.00 0.44 C ATOM 1822 CZ PHE B 47 17.935 -9.518 4.554 1.00 0.44 C ATOM 0 H PHE B 47 13.967 -4.351 5.811 1.00 0.29 H new ATOM 0 HA PHE B 47 15.068 -5.457 3.302 1.00 0.30 H new ATOM 0 HB2 PHE B 47 16.448 -5.021 5.301 1.00 0.35 H new ATOM 0 HB3 PHE B 47 15.334 -5.903 6.327 1.00 0.35 H new ATOM 0 HD1 PHE B 47 16.664 -6.812 2.928 1.00 0.39 H new ATOM 0 HD2 PHE B 47 16.549 -7.761 7.116 1.00 0.40 H new ATOM 0 HE1 PHE B 47 17.914 -8.909 2.488 1.00 0.47 H new ATOM 0 HE2 PHE B 47 17.796 -9.859 6.676 1.00 0.44 H new ATOM 0 HZ PHE B 47 18.479 -10.431 4.362 1.00 0.44 H new ATOM 1832 N MET B 48 12.995 -7.201 5.138 1.00 0.28 N ATOM 1833 CA MET B 48 12.112 -8.397 5.092 1.00 0.31 C ATOM 1834 C MET B 48 10.997 -8.171 4.071 1.00 0.31 C ATOM 1835 O MET B 48 10.680 -9.039 3.288 1.00 0.33 O ATOM 1836 CB MET B 48 11.533 -8.518 6.505 1.00 0.36 C ATOM 1837 CG MET B 48 11.804 -9.922 7.049 1.00 0.46 C ATOM 1838 SD MET B 48 12.930 -9.828 8.464 1.00 0.50 S ATOM 1839 CE MET B 48 14.373 -9.228 7.553 1.00 0.45 C ATOM 0 H MET B 48 12.910 -6.636 5.983 1.00 0.28 H new ATOM 0 HA MET B 48 12.644 -9.301 4.796 1.00 0.31 H new ATOM 0 HB2 MET B 48 11.982 -7.770 7.159 1.00 0.36 H new ATOM 0 HB3 MET B 48 10.461 -8.324 6.488 1.00 0.36 H new ATOM 0 HG2 MET B 48 10.868 -10.392 7.349 1.00 0.46 H new ATOM 0 HG3 MET B 48 12.238 -10.546 6.268 1.00 0.46 H new ATOM 0 HE1 MET B 48 15.281 -9.625 8.007 1.00 0.45 H new ATOM 0 HE2 MET B 48 14.312 -9.558 6.516 1.00 0.45 H new ATOM 0 HE3 MET B 48 14.397 -8.139 7.586 1.00 0.45 H new ATOM 1849 N ALA B 49 10.407 -7.004 4.080 1.00 0.36 N ATOM 1850 CA ALA B 49 9.306 -6.698 3.117 1.00 0.40 C ATOM 1851 C ALA B 49 9.781 -6.884 1.673 1.00 0.40 C ATOM 1852 O ALA B 49 9.077 -7.441 0.850 1.00 0.44 O ATOM 1853 CB ALA B 49 8.952 -5.234 3.379 1.00 0.46 C ATOM 0 H ALA B 49 10.642 -6.244 4.718 1.00 0.36 H new ATOM 0 HA ALA B 49 8.451 -7.360 3.250 1.00 0.40 H new ATOM 0 HB1 ALA B 49 8.148 -4.929 2.710 1.00 0.46 H new ATOM 0 HB2 ALA B 49 8.627 -5.118 4.413 1.00 0.46 H new ATOM 0 HB3 ALA B 49 9.828 -4.610 3.201 1.00 0.46 H new ATOM 1859 N LEU B 50 10.961 -6.416 1.356 1.00 0.40 N ATOM 1860 CA LEU B 50 11.473 -6.558 -0.042 1.00 0.42 C ATOM 1861 C LEU B 50 11.785 -8.024 -0.364 1.00 0.38 C ATOM 1862 O LEU B 50 11.261 -8.581 -1.314 1.00 0.41 O ATOM 1863 CB LEU B 50 12.747 -5.714 -0.090 1.00 0.48 C ATOM 1864 CG LEU B 50 12.863 -5.042 -1.459 1.00 0.64 C ATOM 1865 CD1 LEU B 50 11.710 -4.053 -1.644 1.00 0.87 C ATOM 1866 CD2 LEU B 50 14.194 -4.292 -1.546 1.00 0.89 C ATOM 0 H LEU B 50 11.592 -5.942 2.003 1.00 0.40 H new ATOM 0 HA LEU B 50 10.737 -6.230 -0.777 1.00 0.42 H new ATOM 0 HB2 LEU B 50 12.726 -4.960 0.697 1.00 0.48 H new ATOM 0 HB3 LEU B 50 13.619 -6.342 0.094 1.00 0.48 H new ATOM 0 HG LEU B 50 12.819 -5.801 -2.240 1.00 0.64 H new ATOM 0 HD11 LEU B 50 11.794 -3.575 -2.620 1.00 0.87 H new ATOM 0 HD12 LEU B 50 10.761 -4.585 -1.581 1.00 0.87 H new ATOM 0 HD13 LEU B 50 11.753 -3.294 -0.863 1.00 0.87 H new ATOM 0 HD21 LEU B 50 14.278 -3.812 -2.521 1.00 0.89 H new ATOM 0 HD22 LEU B 50 14.236 -3.534 -0.764 1.00 0.89 H new ATOM 0 HD23 LEU B 50 15.017 -4.995 -1.415 1.00 0.89 H new ATOM 1878 N VAL B 51 12.639 -8.650 0.408 1.00 0.35 N ATOM 1879 CA VAL B 51 12.992 -10.070 0.136 1.00 0.34 C ATOM 1880 C VAL B 51 11.760 -10.971 0.289 1.00 0.30 C ATOM 1881 O VAL B 51 11.659 -11.997 -0.353 1.00 0.35 O ATOM 1882 CB VAL B 51 14.068 -10.418 1.169 1.00 0.37 C ATOM 1883 CG1 VAL B 51 14.507 -11.864 0.975 1.00 0.43 C ATOM 1884 CG2 VAL B 51 15.275 -9.496 0.979 1.00 0.45 C ATOM 0 H VAL B 51 13.105 -8.235 1.215 1.00 0.35 H new ATOM 0 HA VAL B 51 13.351 -10.218 -0.882 1.00 0.34 H new ATOM 0 HB VAL B 51 13.663 -10.288 2.172 1.00 0.37 H new ATOM 0 HG11 VAL B 51 15.273 -12.113 1.709 1.00 0.43 H new ATOM 0 HG12 VAL B 51 13.650 -12.525 1.105 1.00 0.43 H new ATOM 0 HG13 VAL B 51 14.912 -11.990 -0.029 1.00 0.43 H new ATOM 0 HG21 VAL B 51 16.041 -9.743 1.714 1.00 0.45 H new ATOM 0 HG22 VAL B 51 15.679 -9.628 -0.025 1.00 0.45 H new ATOM 0 HG23 VAL B 51 14.966 -8.459 1.112 1.00 0.45 H new ATOM 1894 N ALA B 52 10.819 -10.594 1.122 1.00 0.28 N ATOM 1895 CA ALA B 52 9.594 -11.437 1.294 1.00 0.30 C ATOM 1896 C ALA B 52 8.766 -11.402 0.012 1.00 0.32 C ATOM 1897 O ALA B 52 8.452 -12.431 -0.557 1.00 0.36 O ATOM 1898 CB ALA B 52 8.815 -10.812 2.452 1.00 0.34 C ATOM 0 H ALA B 52 10.846 -9.745 1.686 1.00 0.28 H new ATOM 0 HA ALA B 52 9.839 -12.479 1.501 1.00 0.30 H new ATOM 0 HB1 ALA B 52 7.904 -11.384 2.629 1.00 0.34 H new ATOM 0 HB2 ALA B 52 9.430 -10.822 3.352 1.00 0.34 H new ATOM 0 HB3 ALA B 52 8.554 -9.784 2.202 1.00 0.34 H new ATOM 1904 N PHE B 53 8.430 -10.222 -0.455 1.00 0.36 N ATOM 1905 CA PHE B 53 7.643 -10.102 -1.721 1.00 0.41 C ATOM 1906 C PHE B 53 8.317 -10.962 -2.795 1.00 0.38 C ATOM 1907 O PHE B 53 7.694 -11.796 -3.438 1.00 0.39 O ATOM 1908 CB PHE B 53 7.710 -8.609 -2.069 1.00 0.48 C ATOM 1909 CG PHE B 53 7.270 -8.382 -3.494 1.00 0.58 C ATOM 1910 CD1 PHE B 53 5.910 -8.381 -3.817 1.00 0.76 C ATOM 1911 CD2 PHE B 53 8.227 -8.169 -4.490 1.00 0.71 C ATOM 1912 CE1 PHE B 53 5.506 -8.167 -5.139 1.00 0.95 C ATOM 1913 CE2 PHE B 53 7.826 -7.956 -5.812 1.00 0.91 C ATOM 1914 CZ PHE B 53 6.466 -7.954 -6.138 1.00 1.00 C ATOM 0 H PHE B 53 8.669 -9.335 -0.011 1.00 0.36 H new ATOM 0 HA PHE B 53 6.610 -10.441 -1.638 1.00 0.41 H new ATOM 0 HB2 PHE B 53 7.073 -8.042 -1.390 1.00 0.48 H new ATOM 0 HB3 PHE B 53 8.727 -8.242 -1.933 1.00 0.48 H new ATOM 0 HD1 PHE B 53 5.172 -8.545 -3.046 1.00 0.76 H new ATOM 0 HD2 PHE B 53 9.277 -8.169 -4.238 1.00 0.71 H new ATOM 0 HE1 PHE B 53 4.456 -8.166 -5.390 1.00 0.95 H new ATOM 0 HE2 PHE B 53 8.566 -7.793 -6.581 1.00 0.91 H new ATOM 0 HZ PHE B 53 6.155 -7.788 -7.159 1.00 1.00 H new ATOM 1924 N LEU B 54 9.603 -10.793 -2.952 1.00 0.39 N ATOM 1925 CA LEU B 54 10.350 -11.619 -3.938 1.00 0.39 C ATOM 1926 C LEU B 54 10.222 -13.090 -3.541 1.00 0.35 C ATOM 1927 O LEU B 54 9.974 -13.946 -4.367 1.00 0.38 O ATOM 1928 CB LEU B 54 11.803 -11.150 -3.828 1.00 0.44 C ATOM 1929 CG LEU B 54 12.191 -10.372 -5.085 1.00 0.58 C ATOM 1930 CD1 LEU B 54 11.315 -9.122 -5.202 1.00 0.94 C ATOM 1931 CD2 LEU B 54 13.660 -9.956 -4.987 1.00 0.93 C ATOM 0 H LEU B 54 10.167 -10.117 -2.438 1.00 0.39 H new ATOM 0 HA LEU B 54 9.978 -11.516 -4.957 1.00 0.39 H new ATOM 0 HB2 LEU B 54 11.926 -10.520 -2.947 1.00 0.44 H new ATOM 0 HB3 LEU B 54 12.463 -12.008 -3.702 1.00 0.44 H new ATOM 0 HG LEU B 54 12.046 -11.000 -5.964 1.00 0.58 H new ATOM 0 HD11 LEU B 54 11.591 -8.567 -6.098 1.00 0.94 H new ATOM 0 HD12 LEU B 54 10.267 -9.416 -5.266 1.00 0.94 H new ATOM 0 HD13 LEU B 54 11.462 -8.492 -4.325 1.00 0.94 H new ATOM 0 HD21 LEU B 54 13.941 -9.401 -5.882 1.00 0.93 H new ATOM 0 HD22 LEU B 54 13.802 -9.326 -4.109 1.00 0.93 H new ATOM 0 HD23 LEU B 54 14.285 -10.845 -4.900 1.00 0.93 H new ATOM 1943 N ARG B 55 10.370 -13.375 -2.268 1.00 0.32 N ATOM 1944 CA ARG B 55 10.246 -14.783 -1.780 1.00 0.30 C ATOM 1945 C ARG B 55 8.789 -15.258 -1.855 1.00 0.28 C ATOM 1946 O ARG B 55 8.485 -16.392 -1.532 1.00 0.33 O ATOM 1947 CB ARG B 55 10.721 -14.748 -0.325 1.00 0.32 C ATOM 1948 CG ARG B 55 10.833 -16.178 0.213 1.00 0.43 C ATOM 1949 CD ARG B 55 9.697 -16.446 1.204 1.00 0.49 C ATOM 1950 NE ARG B 55 9.716 -17.920 1.417 1.00 0.60 N ATOM 1951 CZ ARG B 55 8.632 -18.621 1.228 1.00 0.53 C ATOM 1952 NH1 ARG B 55 8.075 -18.656 0.049 1.00 0.49 N ATOM 1953 NH2 ARG B 55 8.106 -19.289 2.218 1.00 0.63 N ATOM 0 H ARG B 55 10.573 -12.687 -1.543 1.00 0.32 H new ATOM 0 HA ARG B 55 10.833 -15.473 -2.386 1.00 0.30 H new ATOM 0 HB2 ARG B 55 11.687 -14.247 -0.259 1.00 0.32 H new ATOM 0 HB3 ARG B 55 10.022 -14.174 0.283 1.00 0.32 H new ATOM 0 HG2 ARG B 55 10.787 -16.891 -0.610 1.00 0.43 H new ATOM 0 HG3 ARG B 55 11.797 -16.318 0.703 1.00 0.43 H new ATOM 0 HD2 ARG B 55 9.854 -15.909 2.140 1.00 0.49 H new ATOM 0 HD3 ARG B 55 8.738 -16.117 0.804 1.00 0.49 H new ATOM 0 HE ARG B 55 10.577 -18.382 1.711 1.00 0.60 H new ATOM 0 HH11 ARG B 55 8.487 -18.135 -0.725 1.00 0.49 H new ATOM 0 HH12 ARG B 55 7.228 -19.204 -0.099 1.00 0.49 H new ATOM 0 HH21 ARG B 55 8.542 -19.263 3.140 1.00 0.63 H new ATOM 0 HH22 ARG B 55 7.259 -19.837 2.070 1.00 0.63 H new ATOM 1967 N PHE B 56 7.889 -14.406 -2.275 1.00 0.30 N ATOM 1968 CA PHE B 56 6.458 -14.814 -2.369 1.00 0.30 C ATOM 1969 C PHE B 56 6.055 -15.045 -3.829 1.00 0.32 C ATOM 1970 O PHE B 56 5.086 -15.728 -4.104 1.00 0.34 O ATOM 1971 CB PHE B 56 5.674 -13.638 -1.785 1.00 0.31 C ATOM 1972 CG PHE B 56 5.341 -13.919 -0.340 1.00 0.32 C ATOM 1973 CD1 PHE B 56 6.355 -14.259 0.566 1.00 0.46 C ATOM 1974 CD2 PHE B 56 4.014 -13.838 0.094 1.00 0.56 C ATOM 1975 CE1 PHE B 56 6.039 -14.517 1.904 1.00 0.46 C ATOM 1976 CE2 PHE B 56 3.700 -14.096 1.432 1.00 0.64 C ATOM 1977 CZ PHE B 56 4.711 -14.436 2.337 1.00 0.43 C ATOM 0 H PHE B 56 8.085 -13.445 -2.557 1.00 0.30 H new ATOM 0 HA PHE B 56 6.266 -15.746 -1.838 1.00 0.30 H new ATOM 0 HB2 PHE B 56 6.261 -12.723 -1.862 1.00 0.31 H new ATOM 0 HB3 PHE B 56 4.759 -13.479 -2.355 1.00 0.31 H new ATOM 0 HD1 PHE B 56 7.380 -14.322 0.231 1.00 0.46 H new ATOM 0 HD2 PHE B 56 3.232 -13.576 -0.604 1.00 0.56 H new ATOM 0 HE1 PHE B 56 6.820 -14.779 2.603 1.00 0.46 H new ATOM 0 HE2 PHE B 56 2.675 -14.033 1.767 1.00 0.64 H new ATOM 0 HZ PHE B 56 4.467 -14.636 3.370 1.00 0.43 H new ATOM 1987 N LEU B 57 6.769 -14.465 -4.768 1.00 0.38 N ATOM 1988 CA LEU B 57 6.386 -14.644 -6.208 1.00 0.44 C ATOM 1989 C LEU B 57 7.381 -15.527 -6.976 1.00 0.48 C ATOM 1990 O LEU B 57 6.984 -16.426 -7.693 1.00 0.52 O ATOM 1991 CB LEU B 57 6.379 -13.231 -6.794 1.00 0.52 C ATOM 1992 CG LEU B 57 5.551 -12.297 -5.904 1.00 0.51 C ATOM 1993 CD1 LEU B 57 5.465 -10.915 -6.556 1.00 0.66 C ATOM 1994 CD2 LEU B 57 4.138 -12.865 -5.730 1.00 0.53 C ATOM 0 H LEU B 57 7.590 -13.883 -4.603 1.00 0.38 H new ATOM 0 HA LEU B 57 5.422 -15.146 -6.290 1.00 0.44 H new ATOM 0 HB2 LEU B 57 7.400 -12.858 -6.876 1.00 0.52 H new ATOM 0 HB3 LEU B 57 5.964 -13.249 -7.802 1.00 0.52 H new ATOM 0 HG LEU B 57 6.029 -12.213 -4.928 1.00 0.51 H new ATOM 0 HD11 LEU B 57 4.876 -10.250 -5.924 1.00 0.66 H new ATOM 0 HD12 LEU B 57 6.468 -10.507 -6.677 1.00 0.66 H new ATOM 0 HD13 LEU B 57 4.989 -11.002 -7.533 1.00 0.66 H new ATOM 0 HD21 LEU B 57 3.553 -12.198 -5.097 1.00 0.53 H new ATOM 0 HD22 LEU B 57 3.659 -12.953 -6.705 1.00 0.53 H new ATOM 0 HD23 LEU B 57 4.196 -13.849 -5.264 1.00 0.53 H new ATOM 2006 N THR B 58 8.662 -15.270 -6.857 1.00 0.51 N ATOM 2007 CA THR B 58 9.665 -16.089 -7.612 1.00 0.59 C ATOM 2008 C THR B 58 10.808 -16.536 -6.695 1.00 0.55 C ATOM 2009 O THR B 58 11.608 -17.380 -7.053 1.00 0.60 O ATOM 2010 CB THR B 58 10.188 -15.148 -8.698 1.00 0.68 C ATOM 2011 OG1 THR B 58 9.108 -14.735 -9.524 1.00 0.87 O ATOM 2012 CG2 THR B 58 11.231 -15.872 -9.546 1.00 0.89 C ATOM 0 H THR B 58 9.056 -14.532 -6.273 1.00 0.51 H new ATOM 0 HA THR B 58 9.227 -16.999 -8.022 1.00 0.59 H new ATOM 0 HB THR B 58 10.646 -14.275 -8.232 1.00 0.68 H new ATOM 0 HG1 THR B 58 9.441 -14.130 -10.220 1.00 0.87 H new ATOM 0 HG21 THR B 58 11.602 -15.199 -10.319 1.00 0.89 H new ATOM 0 HG22 THR B 58 12.059 -16.188 -8.912 1.00 0.89 H new ATOM 0 HG23 THR B 58 10.777 -16.746 -10.013 1.00 0.89 H new ATOM 2020 N ILE B 59 10.876 -15.978 -5.516 1.00 0.52 N ATOM 2021 CA ILE B 59 11.944 -16.347 -4.544 1.00 0.50 C ATOM 2022 C ILE B 59 13.342 -16.270 -5.180 1.00 0.53 C ATOM 2023 O ILE B 59 14.065 -17.249 -5.209 1.00 0.57 O ATOM 2024 CB ILE B 59 11.602 -17.772 -4.112 1.00 0.53 C ATOM 2025 CG1 ILE B 59 10.187 -17.802 -3.525 1.00 0.57 C ATOM 2026 CG2 ILE B 59 12.600 -18.234 -3.043 1.00 0.57 C ATOM 2027 CD1 ILE B 59 9.194 -18.314 -4.571 1.00 0.53 C ATOM 0 H ILE B 59 10.224 -15.269 -5.180 1.00 0.52 H new ATOM 0 HA ILE B 59 11.978 -15.661 -3.698 1.00 0.50 H new ATOM 0 HB ILE B 59 11.655 -18.435 -4.976 1.00 0.53 H new ATOM 0 HG12 ILE B 59 10.164 -18.445 -2.645 1.00 0.57 H new ATOM 0 HG13 ILE B 59 9.899 -16.803 -3.198 1.00 0.57 H new ATOM 0 HG21 ILE B 59 12.357 -19.251 -2.734 1.00 0.57 H new ATOM 0 HG22 ILE B 59 13.610 -18.211 -3.453 1.00 0.57 H new ATOM 0 HG23 ILE B 59 12.544 -17.569 -2.181 1.00 0.57 H new ATOM 0 HD11 ILE B 59 8.192 -18.331 -4.143 1.00 0.53 H new ATOM 0 HD12 ILE B 59 9.207 -17.654 -5.439 1.00 0.53 H new ATOM 0 HD13 ILE B 59 9.475 -19.322 -4.877 1.00 0.53 H new ATOM 2039 N PRO B 60 13.687 -15.095 -5.651 1.00 0.55 N ATOM 2040 CA PRO B 60 15.007 -14.846 -6.247 1.00 0.60 C ATOM 2041 C PRO B 60 15.876 -14.042 -5.252 1.00 0.58 C ATOM 2042 O PRO B 60 16.198 -12.897 -5.515 1.00 0.61 O ATOM 2043 CB PRO B 60 14.636 -13.970 -7.444 1.00 0.68 C ATOM 2044 CG PRO B 60 13.335 -13.299 -7.058 1.00 0.67 C ATOM 2045 CD PRO B 60 12.892 -13.882 -5.731 1.00 0.59 C ATOM 0 HA PRO B 60 15.569 -15.743 -6.506 1.00 0.60 H new ATOM 0 HB2 PRO B 60 15.413 -13.234 -7.649 1.00 0.68 H new ATOM 0 HB3 PRO B 60 14.518 -14.568 -8.348 1.00 0.68 H new ATOM 0 HG2 PRO B 60 13.471 -12.221 -6.976 1.00 0.67 H new ATOM 0 HG3 PRO B 60 12.576 -13.468 -7.822 1.00 0.67 H new ATOM 0 HD2 PRO B 60 13.095 -13.206 -4.901 1.00 0.59 H new ATOM 0 HD3 PRO B 60 11.823 -14.094 -5.715 1.00 0.59 H new ATOM 2053 N PRO B 61 16.216 -14.641 -4.128 1.00 0.56 N ATOM 2054 CA PRO B 61 17.026 -13.919 -3.117 1.00 0.56 C ATOM 2055 C PRO B 61 18.438 -13.671 -3.642 1.00 0.55 C ATOM 2056 O PRO B 61 19.181 -14.596 -3.914 1.00 0.91 O ATOM 2057 CB PRO B 61 17.041 -14.858 -1.916 1.00 0.58 C ATOM 2058 CG PRO B 61 16.798 -16.209 -2.492 1.00 0.58 C ATOM 2059 CD PRO B 61 15.908 -16.008 -3.692 1.00 0.58 C ATOM 0 HA PRO B 61 16.621 -12.938 -2.869 1.00 0.56 H new ATOM 0 HB2 PRO B 61 17.996 -14.816 -1.392 1.00 0.58 H new ATOM 0 HB3 PRO B 61 16.270 -14.590 -1.194 1.00 0.58 H new ATOM 0 HG2 PRO B 61 17.737 -16.683 -2.780 1.00 0.58 H new ATOM 0 HG3 PRO B 61 16.322 -16.863 -1.761 1.00 0.58 H new ATOM 0 HD2 PRO B 61 16.121 -16.736 -4.475 1.00 0.58 H new ATOM 0 HD3 PRO B 61 14.855 -16.118 -3.433 1.00 0.58 H new ATOM 2067 N THR B 62 18.808 -12.426 -3.787 1.00 0.37 N ATOM 2068 CA THR B 62 20.172 -12.094 -4.297 1.00 0.36 C ATOM 2069 C THR B 62 21.237 -12.754 -3.406 1.00 0.36 C ATOM 2070 O THR B 62 20.962 -13.148 -2.290 1.00 0.38 O ATOM 2071 CB THR B 62 20.239 -10.556 -4.249 1.00 0.37 C ATOM 2072 OG1 THR B 62 20.297 -10.052 -5.576 1.00 0.39 O ATOM 2073 CG2 THR B 62 21.473 -10.087 -3.479 1.00 0.38 C ATOM 0 H THR B 62 18.221 -11.620 -3.573 1.00 0.37 H new ATOM 0 HA THR B 62 20.360 -12.462 -5.306 1.00 0.36 H new ATOM 0 HB THR B 62 19.350 -10.184 -3.739 1.00 0.37 H new ATOM 0 HG1 THR B 62 20.338 -9.073 -5.553 1.00 0.39 H new ATOM 0 HG21 THR B 62 21.497 -8.997 -3.459 1.00 0.38 H new ATOM 0 HG22 THR B 62 21.431 -10.467 -2.458 1.00 0.38 H new ATOM 0 HG23 THR B 62 22.372 -10.461 -3.969 1.00 0.38 H new ATOM 2081 N ALA B 63 22.442 -12.889 -3.907 1.00 0.39 N ATOM 2082 CA ALA B 63 23.537 -13.538 -3.116 1.00 0.41 C ATOM 2083 C ALA B 63 23.657 -12.916 -1.721 1.00 0.39 C ATOM 2084 O ALA B 63 23.822 -13.609 -0.735 1.00 0.41 O ATOM 2085 CB ALA B 63 24.810 -13.280 -3.924 1.00 0.46 C ATOM 0 H ALA B 63 22.716 -12.575 -4.838 1.00 0.39 H new ATOM 0 HA ALA B 63 23.347 -14.600 -2.963 1.00 0.41 H new ATOM 0 HB1 ALA B 63 25.663 -13.725 -3.411 1.00 0.46 H new ATOM 0 HB2 ALA B 63 24.709 -13.725 -4.914 1.00 0.46 H new ATOM 0 HB3 ALA B 63 24.966 -12.206 -4.023 1.00 0.46 H new ATOM 2091 N GLY B 64 23.588 -11.615 -1.639 1.00 0.37 N ATOM 2092 CA GLY B 64 23.709 -10.930 -0.317 1.00 0.37 C ATOM 2093 C GLY B 64 22.600 -11.393 0.634 1.00 0.34 C ATOM 2094 O GLY B 64 22.840 -11.617 1.800 1.00 0.36 O ATOM 0 H GLY B 64 23.452 -10.992 -2.435 1.00 0.37 H new ATOM 0 HA2 GLY B 64 24.684 -11.143 0.121 1.00 0.37 H new ATOM 0 HA3 GLY B 64 23.651 -9.850 -0.454 1.00 0.37 H new ATOM 2098 N ILE B 65 21.392 -11.526 0.149 1.00 0.34 N ATOM 2099 CA ILE B 65 20.257 -11.964 1.024 1.00 0.36 C ATOM 2100 C ILE B 65 20.633 -13.226 1.805 1.00 0.39 C ATOM 2101 O ILE B 65 20.251 -13.390 2.947 1.00 0.46 O ATOM 2102 CB ILE B 65 19.092 -12.249 0.063 1.00 0.37 C ATOM 2103 CG1 ILE B 65 18.753 -10.982 -0.733 1.00 0.39 C ATOM 2104 CG2 ILE B 65 17.857 -12.692 0.858 1.00 0.40 C ATOM 2105 CD1 ILE B 65 18.503 -9.821 0.230 1.00 0.41 C ATOM 0 H ILE B 65 21.139 -11.349 -0.823 1.00 0.34 H new ATOM 0 HA ILE B 65 19.998 -11.206 1.763 1.00 0.36 H new ATOM 0 HB ILE B 65 19.386 -13.043 -0.623 1.00 0.37 H new ATOM 0 HG12 ILE B 65 19.571 -10.736 -1.410 1.00 0.39 H new ATOM 0 HG13 ILE B 65 17.870 -11.153 -1.349 1.00 0.39 H new ATOM 0 HG21 ILE B 65 17.035 -12.892 0.171 1.00 0.40 H new ATOM 0 HG22 ILE B 65 18.091 -13.597 1.418 1.00 0.40 H new ATOM 0 HG23 ILE B 65 17.567 -11.901 1.550 1.00 0.40 H new ATOM 0 HD11 ILE B 65 18.262 -8.922 -0.338 1.00 0.41 H new ATOM 0 HD12 ILE B 65 17.670 -10.068 0.889 1.00 0.41 H new ATOM 0 HD13 ILE B 65 19.398 -9.644 0.827 1.00 0.41 H new ATOM 2117 N LEU B 66 21.382 -14.112 1.201 1.00 0.40 N ATOM 2118 CA LEU B 66 21.784 -15.362 1.911 1.00 0.47 C ATOM 2119 C LEU B 66 23.022 -15.107 2.776 1.00 0.45 C ATOM 2120 O LEU B 66 23.030 -15.397 3.957 1.00 0.52 O ATOM 2121 CB LEU B 66 22.100 -16.377 0.805 1.00 0.55 C ATOM 2122 CG LEU B 66 20.807 -16.858 0.129 1.00 0.64 C ATOM 2123 CD1 LEU B 66 19.794 -17.315 1.185 1.00 0.73 C ATOM 2124 CD2 LEU B 66 20.206 -15.718 -0.695 1.00 0.62 C ATOM 0 H LEU B 66 21.732 -14.024 0.247 1.00 0.40 H new ATOM 0 HA LEU B 66 20.999 -15.722 2.576 1.00 0.47 H new ATOM 0 HB2 LEU B 66 22.757 -15.923 0.064 1.00 0.55 H new ATOM 0 HB3 LEU B 66 22.635 -17.228 1.227 1.00 0.55 H new ATOM 0 HG LEU B 66 21.042 -17.699 -0.524 1.00 0.64 H new ATOM 0 HD11 LEU B 66 18.882 -17.653 0.692 1.00 0.73 H new ATOM 0 HD12 LEU B 66 20.218 -18.134 1.766 1.00 0.73 H new ATOM 0 HD13 LEU B 66 19.560 -16.483 1.849 1.00 0.73 H new ATOM 0 HD21 LEU B 66 19.289 -16.060 -1.174 1.00 0.62 H new ATOM 0 HD22 LEU B 66 19.981 -14.875 -0.041 1.00 0.62 H new ATOM 0 HD23 LEU B 66 20.919 -15.405 -1.458 1.00 0.62 H new ATOM 2136 N LYS B 67 24.066 -14.567 2.195 1.00 0.43 N ATOM 2137 CA LYS B 67 25.307 -14.289 2.983 1.00 0.47 C ATOM 2138 C LYS B 67 24.984 -13.369 4.162 1.00 0.45 C ATOM 2139 O LYS B 67 25.592 -13.452 5.212 1.00 0.55 O ATOM 2140 CB LYS B 67 26.254 -13.590 2.006 1.00 0.53 C ATOM 2141 CG LYS B 67 26.962 -14.636 1.143 1.00 0.55 C ATOM 2142 CD LYS B 67 28.042 -15.336 1.972 1.00 0.66 C ATOM 2143 CE LYS B 67 29.158 -14.341 2.308 1.00 0.76 C ATOM 2144 NZ LYS B 67 29.325 -14.434 3.785 1.00 0.90 N ATOM 0 H LYS B 67 24.112 -14.307 1.210 1.00 0.43 H new ATOM 0 HA LYS B 67 25.746 -15.198 3.394 1.00 0.47 H new ATOM 0 HB2 LYS B 67 25.696 -12.899 1.374 1.00 0.53 H new ATOM 0 HB3 LYS B 67 26.988 -12.999 2.554 1.00 0.53 H new ATOM 0 HG2 LYS B 67 26.242 -15.366 0.774 1.00 0.55 H new ATOM 0 HG3 LYS B 67 27.410 -14.160 0.270 1.00 0.55 H new ATOM 0 HD2 LYS B 67 27.609 -15.735 2.889 1.00 0.66 H new ATOM 0 HD3 LYS B 67 28.449 -16.181 1.417 1.00 0.66 H new ATOM 0 HE2 LYS B 67 30.083 -14.595 1.789 1.00 0.76 H new ATOM 0 HE3 LYS B 67 28.890 -13.329 2.004 1.00 0.76 H new ATOM 0 HZ1 LYS B 67 30.074 -13.780 4.092 1.00 0.90 H new ATOM 0 HZ2 LYS B 67 28.431 -14.180 4.252 1.00 0.90 H new ATOM 0 HZ3 LYS B 67 29.587 -15.406 4.044 1.00 0.90 H new ATOM 2158 N ARG B 68 24.023 -12.500 3.989 1.00 0.40 N ATOM 2159 CA ARG B 68 23.636 -11.571 5.087 1.00 0.40 C ATOM 2160 C ARG B 68 22.670 -12.284 6.044 1.00 0.37 C ATOM 2161 O ARG B 68 22.657 -12.031 7.233 1.00 0.42 O ATOM 2162 CB ARG B 68 22.969 -10.376 4.379 1.00 0.39 C ATOM 2163 CG ARG B 68 21.476 -10.637 4.158 1.00 0.38 C ATOM 2164 CD ARG B 68 20.869 -9.476 3.365 1.00 0.41 C ATOM 2165 NE ARG B 68 20.808 -8.343 4.331 1.00 0.44 N ATOM 2166 CZ ARG B 68 21.752 -7.441 4.341 1.00 0.44 C ATOM 2167 NH1 ARG B 68 22.219 -6.972 3.216 1.00 0.47 N ATOM 2168 NH2 ARG B 68 22.225 -7.005 5.476 1.00 0.54 N ATOM 0 H ARG B 68 23.487 -12.395 3.128 1.00 0.40 H new ATOM 0 HA ARG B 68 24.481 -11.242 5.691 1.00 0.40 H new ATOM 0 HB2 ARG B 68 23.100 -9.474 4.977 1.00 0.39 H new ATOM 0 HB3 ARG B 68 23.457 -10.197 3.421 1.00 0.39 H new ATOM 0 HG2 ARG B 68 21.335 -11.573 3.618 1.00 0.38 H new ATOM 0 HG3 ARG B 68 20.968 -10.742 5.117 1.00 0.38 H new ATOM 0 HD2 ARG B 68 21.483 -9.225 2.500 1.00 0.41 H new ATOM 0 HD3 ARG B 68 19.877 -9.729 2.990 1.00 0.41 H new ATOM 0 HE ARG B 68 20.028 -8.272 4.985 1.00 0.44 H new ATOM 0 HH11 ARG B 68 21.846 -7.310 2.329 1.00 0.47 H new ATOM 0 HH12 ARG B 68 22.956 -6.267 3.224 1.00 0.47 H new ATOM 0 HH21 ARG B 68 21.857 -7.369 6.355 1.00 0.54 H new ATOM 0 HH22 ARG B 68 22.962 -6.300 5.484 1.00 0.54 H new ATOM 2182 N TRP B 69 21.868 -13.174 5.515 1.00 0.34 N ATOM 2183 CA TRP B 69 20.880 -13.938 6.347 1.00 0.33 C ATOM 2184 C TRP B 69 21.498 -14.467 7.650 1.00 0.34 C ATOM 2185 O TRP B 69 20.823 -14.577 8.655 1.00 0.38 O ATOM 2186 CB TRP B 69 20.492 -15.118 5.462 1.00 0.32 C ATOM 2187 CG TRP B 69 19.103 -15.563 5.773 1.00 0.32 C ATOM 2188 CD1 TRP B 69 18.775 -16.797 6.208 1.00 0.36 C ATOM 2189 CD2 TRP B 69 17.852 -14.819 5.668 1.00 0.30 C ATOM 2190 NE1 TRP B 69 17.409 -16.862 6.379 1.00 0.37 N ATOM 2191 CE2 TRP B 69 16.794 -15.673 6.057 1.00 0.34 C ATOM 2192 CE3 TRP B 69 17.531 -13.504 5.279 1.00 0.31 C ATOM 2193 CZ2 TRP B 69 15.470 -15.246 6.059 1.00 0.37 C ATOM 2194 CZ3 TRP B 69 16.195 -13.073 5.280 1.00 0.34 C ATOM 2195 CH2 TRP B 69 15.170 -13.946 5.668 1.00 0.37 C ATOM 0 H TRP B 69 21.854 -13.410 4.523 1.00 0.34 H new ATOM 0 HA TRP B 69 20.043 -13.306 6.644 1.00 0.33 H new ATOM 0 HB2 TRP B 69 20.564 -14.833 4.412 1.00 0.32 H new ATOM 0 HB3 TRP B 69 21.188 -15.942 5.617 1.00 0.32 H new ATOM 0 HD1 TRP B 69 19.470 -17.603 6.392 1.00 0.36 H new ATOM 0 HE1 TRP B 69 16.913 -17.692 6.705 1.00 0.37 H new ATOM 0 HE3 TRP B 69 18.315 -12.825 4.979 1.00 0.31 H new ATOM 0 HZ2 TRP B 69 14.681 -15.919 6.362 1.00 0.37 H new ATOM 0 HZ3 TRP B 69 15.956 -12.063 4.980 1.00 0.34 H new ATOM 0 HH2 TRP B 69 14.144 -13.608 5.663 1.00 0.37 H new ATOM 2206 N GLY B 70 22.759 -14.821 7.633 1.00 0.38 N ATOM 2207 CA GLY B 70 23.399 -15.376 8.865 1.00 0.43 C ATOM 2208 C GLY B 70 24.409 -14.386 9.442 1.00 0.43 C ATOM 2209 O GLY B 70 25.487 -14.769 9.859 1.00 0.49 O ATOM 0 H GLY B 70 23.372 -14.750 6.821 1.00 0.38 H new ATOM 0 HA2 GLY B 70 22.634 -15.598 9.609 1.00 0.43 H new ATOM 0 HA3 GLY B 70 23.898 -16.316 8.630 1.00 0.43 H new ATOM 2213 N THR B 71 24.071 -13.123 9.486 1.00 0.39 N ATOM 2214 CA THR B 71 25.017 -12.118 10.054 1.00 0.40 C ATOM 2215 C THR B 71 24.329 -10.757 10.216 1.00 0.39 C ATOM 2216 O THR B 71 24.951 -9.721 10.064 1.00 0.44 O ATOM 2217 CB THR B 71 26.170 -12.031 9.047 1.00 0.45 C ATOM 2218 OG1 THR B 71 27.146 -11.114 9.523 1.00 0.50 O ATOM 2219 CG2 THR B 71 25.642 -11.558 7.694 1.00 0.49 C ATOM 0 H THR B 71 23.183 -12.746 9.154 1.00 0.39 H new ATOM 0 HA THR B 71 25.368 -12.406 11.045 1.00 0.40 H new ATOM 0 HB THR B 71 26.621 -13.017 8.931 1.00 0.45 H new ATOM 0 HG1 THR B 71 26.699 -10.335 9.916 1.00 0.50 H new ATOM 0 HG21 THR B 71 26.466 -11.498 6.983 1.00 0.49 H new ATOM 0 HG22 THR B 71 24.897 -12.264 7.327 1.00 0.49 H new ATOM 0 HG23 THR B 71 25.186 -10.574 7.805 1.00 0.49 H new ATOM 2227 N ILE B 72 23.056 -10.747 10.536 1.00 0.38 N ATOM 2228 CA ILE B 72 22.347 -9.443 10.718 1.00 0.38 C ATOM 2229 C ILE B 72 21.852 -9.317 12.165 1.00 0.36 C ATOM 2230 O ILE B 72 22.590 -9.570 13.099 1.00 0.49 O ATOM 2231 CB ILE B 72 21.180 -9.464 9.721 1.00 0.38 C ATOM 2232 CG1 ILE B 72 20.240 -10.629 10.045 1.00 0.36 C ATOM 2233 CG2 ILE B 72 21.718 -9.620 8.299 1.00 0.51 C ATOM 2234 CD1 ILE B 72 18.790 -10.188 9.827 1.00 0.37 C ATOM 0 H ILE B 72 22.483 -11.579 10.678 1.00 0.38 H new ATOM 0 HA ILE B 72 22.996 -8.586 10.535 1.00 0.38 H new ATOM 0 HB ILE B 72 20.629 -8.526 9.798 1.00 0.38 H new ATOM 0 HG12 ILE B 72 20.471 -11.484 9.410 1.00 0.36 H new ATOM 0 HG13 ILE B 72 20.383 -10.950 11.077 1.00 0.36 H new ATOM 0 HG21 ILE B 72 20.886 -9.634 7.595 1.00 0.51 H new ATOM 0 HG22 ILE B 72 22.377 -8.784 8.065 1.00 0.51 H new ATOM 0 HG23 ILE B 72 22.275 -10.553 8.221 1.00 0.51 H new ATOM 0 HD11 ILE B 72 18.119 -11.016 10.057 1.00 0.37 H new ATOM 0 HD12 ILE B 72 18.564 -9.345 10.480 1.00 0.37 H new ATOM 0 HD13 ILE B 72 18.653 -9.888 8.788 1.00 0.37 H new ATOM 2246 N LYS B 73 20.619 -8.921 12.361 1.00 0.33 N ATOM 2247 CA LYS B 73 20.088 -8.771 13.745 1.00 0.35 C ATOM 2248 C LYS B 73 19.296 -10.003 14.158 1.00 0.31 C ATOM 2249 O LYS B 73 19.430 -10.489 15.264 1.00 0.33 O ATOM 2250 CB LYS B 73 19.159 -7.565 13.673 1.00 0.39 C ATOM 2251 CG LYS B 73 19.139 -6.852 15.020 1.00 0.46 C ATOM 2252 CD LYS B 73 20.470 -6.129 15.240 1.00 0.61 C ATOM 2253 CE LYS B 73 20.775 -6.063 16.738 1.00 0.94 C ATOM 2254 NZ LYS B 73 21.651 -7.238 17.005 1.00 1.04 N ATOM 0 H LYS B 73 19.958 -8.695 11.618 1.00 0.33 H new ATOM 0 HA LYS B 73 20.889 -8.648 14.474 1.00 0.35 H new ATOM 0 HB2 LYS B 73 19.495 -6.881 12.893 1.00 0.39 H new ATOM 0 HB3 LYS B 73 18.152 -7.885 13.405 1.00 0.39 H new ATOM 0 HG2 LYS B 73 18.316 -6.138 15.052 1.00 0.46 H new ATOM 0 HG3 LYS B 73 18.968 -7.571 15.821 1.00 0.46 H new ATOM 0 HD2 LYS B 73 21.271 -6.653 14.718 1.00 0.61 H new ATOM 0 HD3 LYS B 73 20.422 -5.123 14.823 1.00 0.61 H new ATOM 0 HE2 LYS B 73 21.275 -5.130 16.998 1.00 0.94 H new ATOM 0 HE3 LYS B 73 19.861 -6.110 17.329 1.00 0.94 H new ATOM 0 HZ1 LYS B 73 21.903 -7.261 18.014 1.00 1.04 H new ATOM 0 HZ2 LYS B 73 21.146 -8.112 16.754 1.00 1.04 H new ATOM 0 HZ3 LYS B 73 22.517 -7.163 16.434 1.00 1.04 H new ATOM 2268 N LYS B 74 18.455 -10.479 13.278 1.00 0.29 N ATOM 2269 CA LYS B 74 17.591 -11.666 13.567 1.00 0.29 C ATOM 2270 C LYS B 74 16.572 -11.317 14.657 1.00 0.29 C ATOM 2271 O LYS B 74 15.386 -11.506 14.483 1.00 0.31 O ATOM 2272 CB LYS B 74 18.509 -12.808 14.028 1.00 0.32 C ATOM 2273 CG LYS B 74 18.914 -13.725 12.853 1.00 0.33 C ATOM 2274 CD LYS B 74 19.106 -12.942 11.549 1.00 0.30 C ATOM 2275 CE LYS B 74 18.295 -13.609 10.436 1.00 0.32 C ATOM 2276 NZ LYS B 74 18.815 -15.005 10.355 1.00 0.30 N ATOM 0 H LYS B 74 18.327 -10.085 12.346 1.00 0.29 H new ATOM 0 HA LYS B 74 17.037 -11.968 12.678 1.00 0.29 H new ATOM 0 HB2 LYS B 74 19.404 -12.391 14.490 1.00 0.32 H new ATOM 0 HB3 LYS B 74 18.001 -13.397 14.791 1.00 0.32 H new ATOM 0 HG2 LYS B 74 19.839 -14.245 13.102 1.00 0.33 H new ATOM 0 HG3 LYS B 74 18.148 -14.487 12.708 1.00 0.33 H new ATOM 0 HD2 LYS B 74 18.784 -11.909 11.681 1.00 0.30 H new ATOM 0 HD3 LYS B 74 20.162 -12.915 11.279 1.00 0.30 H new ATOM 0 HE2 LYS B 74 17.229 -13.599 10.665 1.00 0.32 H new ATOM 0 HE3 LYS B 74 18.423 -13.086 9.488 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 18.404 -15.481 9.527 1.00 0.30 H new ATOM 0 HZ2 LYS B 74 19.851 -14.985 10.264 1.00 0.30 H new ATOM 0 HZ3 LYS B 74 18.554 -15.523 11.218 1.00 0.30 H new ATOM 2290 N SER B 75 17.020 -10.791 15.772 1.00 0.31 N ATOM 2291 CA SER B 75 16.070 -10.412 16.860 1.00 0.35 C ATOM 2292 C SER B 75 15.076 -9.395 16.309 1.00 0.33 C ATOM 2293 O SER B 75 13.894 -9.447 16.588 1.00 0.35 O ATOM 2294 CB SER B 75 16.935 -9.787 17.954 1.00 0.41 C ATOM 2295 OG SER B 75 17.604 -8.647 17.430 1.00 0.50 O ATOM 0 H SER B 75 18.003 -10.609 15.974 1.00 0.31 H new ATOM 0 HA SER B 75 15.503 -11.259 17.246 1.00 0.35 H new ATOM 0 HB2 SER B 75 16.316 -9.501 18.804 1.00 0.41 H new ATOM 0 HB3 SER B 75 17.661 -10.513 18.319 1.00 0.41 H new ATOM 0 HG SER B 75 18.159 -8.243 18.130 1.00 0.50 H new ATOM 2301 N LYS B 76 15.557 -8.485 15.501 1.00 0.32 N ATOM 2302 CA LYS B 76 14.659 -7.468 14.890 1.00 0.32 C ATOM 2303 C LYS B 76 13.918 -8.103 13.712 1.00 0.29 C ATOM 2304 O LYS B 76 12.760 -7.825 13.475 1.00 0.31 O ATOM 2305 CB LYS B 76 15.589 -6.356 14.407 1.00 0.36 C ATOM 2306 CG LYS B 76 15.603 -5.213 15.428 1.00 0.46 C ATOM 2307 CD LYS B 76 15.058 -3.939 14.777 1.00 0.45 C ATOM 2308 CE LYS B 76 13.533 -4.027 14.678 1.00 0.44 C ATOM 2309 NZ LYS B 76 13.050 -2.646 14.960 1.00 0.49 N ATOM 0 H LYS B 76 16.539 -8.405 15.239 1.00 0.32 H new ATOM 0 HA LYS B 76 13.911 -7.087 15.585 1.00 0.32 H new ATOM 0 HB2 LYS B 76 16.597 -6.746 14.270 1.00 0.36 H new ATOM 0 HB3 LYS B 76 15.256 -5.986 13.437 1.00 0.36 H new ATOM 0 HG2 LYS B 76 14.998 -5.478 16.295 1.00 0.46 H new ATOM 0 HG3 LYS B 76 16.618 -5.045 15.787 1.00 0.46 H new ATOM 0 HD2 LYS B 76 15.345 -3.067 15.364 1.00 0.45 H new ATOM 0 HD3 LYS B 76 15.491 -3.812 13.785 1.00 0.45 H new ATOM 0 HE2 LYS B 76 13.220 -4.361 13.689 1.00 0.44 H new ATOM 0 HE3 LYS B 76 13.131 -4.741 15.397 1.00 0.44 H new ATOM 0 HZ1 LYS B 76 12.011 -2.625 14.911 1.00 0.49 H new ATOM 0 HZ2 LYS B 76 13.357 -2.358 15.911 1.00 0.49 H new ATOM 0 HZ3 LYS B 76 13.444 -1.990 14.256 1.00 0.49 H new ATOM 2323 N ALA B 77 14.585 -8.968 12.984 1.00 0.29 N ATOM 2324 CA ALA B 77 13.930 -9.648 11.825 1.00 0.29 C ATOM 2325 C ALA B 77 12.768 -10.498 12.329 1.00 0.27 C ATOM 2326 O ALA B 77 11.660 -10.417 11.833 1.00 0.30 O ATOM 2327 CB ALA B 77 15.010 -10.545 11.219 1.00 0.32 C ATOM 0 H ALA B 77 15.557 -9.232 13.145 1.00 0.29 H new ATOM 0 HA ALA B 77 13.537 -8.940 11.096 1.00 0.29 H new ATOM 0 HB1 ALA B 77 14.601 -11.078 10.361 1.00 0.32 H new ATOM 0 HB2 ALA B 77 15.853 -9.933 10.898 1.00 0.32 H new ATOM 0 HB3 ALA B 77 15.347 -11.264 11.966 1.00 0.32 H new ATOM 2333 N ILE B 78 13.020 -11.308 13.325 1.00 0.27 N ATOM 2334 CA ILE B 78 11.940 -12.166 13.888 1.00 0.28 C ATOM 2335 C ILE B 78 10.841 -11.270 14.464 1.00 0.29 C ATOM 2336 O ILE B 78 9.666 -11.475 14.216 1.00 0.31 O ATOM 2337 CB ILE B 78 12.612 -12.988 14.992 1.00 0.30 C ATOM 2338 CG1 ILE B 78 13.780 -13.801 14.410 1.00 0.32 C ATOM 2339 CG2 ILE B 78 11.590 -13.945 15.608 1.00 0.35 C ATOM 2340 CD1 ILE B 78 14.796 -14.095 15.510 1.00 0.35 C ATOM 0 H ILE B 78 13.931 -11.411 13.773 1.00 0.27 H new ATOM 0 HA ILE B 78 11.478 -12.813 13.143 1.00 0.28 H new ATOM 0 HB ILE B 78 12.993 -12.310 15.756 1.00 0.30 H new ATOM 0 HG12 ILE B 78 13.411 -14.733 13.983 1.00 0.32 H new ATOM 0 HG13 ILE B 78 14.255 -13.246 13.601 1.00 0.32 H new ATOM 0 HG21 ILE B 78 12.067 -14.530 16.394 1.00 0.35 H new ATOM 0 HG22 ILE B 78 10.765 -13.373 16.032 1.00 0.35 H new ATOM 0 HG23 ILE B 78 11.208 -14.615 14.838 1.00 0.35 H new ATOM 0 HD11 ILE B 78 15.624 -14.671 15.096 1.00 0.35 H new ATOM 0 HD12 ILE B 78 15.174 -13.157 15.916 1.00 0.35 H new ATOM 0 HD13 ILE B 78 14.317 -14.667 16.304 1.00 0.35 H new ATOM 2352 N ASN B 79 11.220 -10.258 15.210 1.00 0.29 N ATOM 2353 CA ASN B 79 10.203 -9.324 15.780 1.00 0.31 C ATOM 2354 C ASN B 79 9.434 -8.675 14.631 1.00 0.30 C ATOM 2355 O ASN B 79 8.231 -8.502 14.692 1.00 0.33 O ATOM 2356 CB ASN B 79 11.002 -8.275 16.554 1.00 0.33 C ATOM 2357 CG ASN B 79 11.075 -8.674 18.029 1.00 0.34 C ATOM 2358 OD1 ASN B 79 10.059 -8.852 18.672 1.00 0.46 O ATOM 2359 ND2 ASN B 79 12.240 -8.824 18.597 1.00 0.39 N ATOM 0 H ASN B 79 12.188 -10.041 15.447 1.00 0.29 H new ATOM 0 HA ASN B 79 9.482 -9.824 16.427 1.00 0.31 H new ATOM 0 HB2 ASN B 79 12.006 -8.189 16.140 1.00 0.33 H new ATOM 0 HB3 ASN B 79 10.531 -7.297 16.454 1.00 0.33 H new ATOM 0 HD21 ASN B 79 12.298 -9.090 19.580 1.00 0.39 H new ATOM 0 HD22 ASN B 79 13.093 -8.675 18.058 1.00 0.39 H new ATOM 2366 N VAL B 80 10.129 -8.342 13.571 1.00 0.28 N ATOM 2367 CA VAL B 80 9.459 -7.731 12.386 1.00 0.28 C ATOM 2368 C VAL B 80 8.402 -8.711 11.874 1.00 0.27 C ATOM 2369 O VAL B 80 7.276 -8.341 11.600 1.00 0.30 O ATOM 2370 CB VAL B 80 10.591 -7.518 11.361 1.00 0.29 C ATOM 2371 CG1 VAL B 80 10.141 -7.910 9.947 1.00 0.32 C ATOM 2372 CG2 VAL B 80 11.001 -6.044 11.364 1.00 0.34 C ATOM 0 H VAL B 80 11.137 -8.469 13.477 1.00 0.28 H new ATOM 0 HA VAL B 80 8.951 -6.790 12.598 1.00 0.28 H new ATOM 0 HB VAL B 80 11.433 -8.150 11.643 1.00 0.29 H new ATOM 0 HG11 VAL B 80 10.960 -7.749 9.247 1.00 0.32 H new ATOM 0 HG12 VAL B 80 9.855 -8.962 9.935 1.00 0.32 H new ATOM 0 HG13 VAL B 80 9.288 -7.298 9.654 1.00 0.32 H new ATOM 0 HG21 VAL B 80 11.801 -5.888 10.641 1.00 0.34 H new ATOM 0 HG22 VAL B 80 10.143 -5.427 11.095 1.00 0.34 H new ATOM 0 HG23 VAL B 80 11.351 -5.766 12.358 1.00 0.34 H new ATOM 2382 N LEU B 81 8.768 -9.965 11.763 1.00 0.26 N ATOM 2383 CA LEU B 81 7.801 -10.998 11.289 1.00 0.27 C ATOM 2384 C LEU B 81 6.561 -10.990 12.186 1.00 0.29 C ATOM 2385 O LEU B 81 5.446 -11.160 11.726 1.00 0.34 O ATOM 2386 CB LEU B 81 8.551 -12.325 11.406 1.00 0.31 C ATOM 2387 CG LEU B 81 8.336 -13.144 10.131 1.00 0.38 C ATOM 2388 CD1 LEU B 81 9.651 -13.803 9.709 1.00 0.51 C ATOM 2389 CD2 LEU B 81 7.284 -14.225 10.391 1.00 0.49 C ATOM 0 H LEU B 81 9.700 -10.317 11.982 1.00 0.26 H new ATOM 0 HA LEU B 81 7.459 -10.821 10.269 1.00 0.27 H new ATOM 0 HB2 LEU B 81 9.615 -12.142 11.559 1.00 0.31 H new ATOM 0 HB3 LEU B 81 8.195 -12.881 12.273 1.00 0.31 H new ATOM 0 HG LEU B 81 7.993 -12.484 9.334 1.00 0.38 H new ATOM 0 HD11 LEU B 81 9.492 -14.385 8.801 1.00 0.51 H new ATOM 0 HD12 LEU B 81 10.400 -13.033 9.520 1.00 0.51 H new ATOM 0 HD13 LEU B 81 10.000 -14.461 10.505 1.00 0.51 H new ATOM 0 HD21 LEU B 81 7.130 -14.809 9.483 1.00 0.49 H new ATOM 0 HD22 LEU B 81 7.627 -14.881 11.191 1.00 0.49 H new ATOM 0 HD23 LEU B 81 6.345 -13.756 10.684 1.00 0.49 H new ATOM 2401 N ARG B 82 6.744 -10.765 13.464 1.00 0.29 N ATOM 2402 CA ARG B 82 5.570 -10.709 14.381 1.00 0.33 C ATOM 2403 C ARG B 82 4.683 -9.540 13.952 1.00 0.34 C ATOM 2404 O ARG B 82 3.476 -9.663 13.843 1.00 0.38 O ATOM 2405 CB ARG B 82 6.154 -10.469 15.776 1.00 0.37 C ATOM 2406 CG ARG B 82 5.411 -11.332 16.799 1.00 0.39 C ATOM 2407 CD ARG B 82 5.934 -12.771 16.736 1.00 0.46 C ATOM 2408 NE ARG B 82 6.500 -13.036 18.088 1.00 0.52 N ATOM 2409 CZ ARG B 82 7.555 -13.794 18.216 1.00 0.52 C ATOM 2410 NH1 ARG B 82 8.686 -13.436 17.673 1.00 0.70 N ATOM 2411 NH2 ARG B 82 7.478 -14.911 18.887 1.00 0.69 N ATOM 0 H ARG B 82 7.651 -10.619 13.907 1.00 0.29 H new ATOM 0 HA ARG B 82 4.966 -11.616 14.365 1.00 0.33 H new ATOM 0 HB2 ARG B 82 7.216 -10.712 15.783 1.00 0.37 H new ATOM 0 HB3 ARG B 82 6.066 -9.416 16.042 1.00 0.37 H new ATOM 0 HG2 ARG B 82 5.551 -10.927 17.801 1.00 0.39 H new ATOM 0 HG3 ARG B 82 4.340 -11.314 16.595 1.00 0.39 H new ATOM 0 HD2 ARG B 82 5.133 -13.472 16.499 1.00 0.46 H new ATOM 0 HD3 ARG B 82 6.693 -12.881 15.962 1.00 0.46 H new ATOM 0 HE ARG B 82 6.063 -12.625 18.913 1.00 0.52 H new ATOM 0 HH11 ARG B 82 8.746 -12.563 17.148 1.00 0.70 H new ATOM 0 HH12 ARG B 82 9.510 -14.029 17.773 1.00 0.70 H new ATOM 0 HH21 ARG B 82 6.594 -15.191 19.311 1.00 0.69 H new ATOM 0 HH22 ARG B 82 8.302 -15.504 18.987 1.00 0.69 H new ATOM 2425 N GLY B 83 5.290 -8.412 13.678 1.00 0.34 N ATOM 2426 CA GLY B 83 4.513 -7.226 13.222 1.00 0.37 C ATOM 2427 C GLY B 83 3.894 -7.544 11.862 1.00 0.34 C ATOM 2428 O GLY B 83 2.809 -7.095 11.544 1.00 0.36 O ATOM 0 H GLY B 83 6.297 -8.264 13.752 1.00 0.34 H new ATOM 0 HA2 GLY B 83 3.734 -6.983 13.945 1.00 0.37 H new ATOM 0 HA3 GLY B 83 5.162 -6.354 13.148 1.00 0.37 H new ATOM 2432 N PHE B 84 4.576 -8.333 11.063 1.00 0.32 N ATOM 2433 CA PHE B 84 4.031 -8.706 9.722 1.00 0.33 C ATOM 2434 C PHE B 84 2.668 -9.378 9.905 1.00 0.34 C ATOM 2435 O PHE B 84 1.721 -9.086 9.199 1.00 0.39 O ATOM 2436 CB PHE B 84 5.045 -9.692 9.127 1.00 0.31 C ATOM 2437 CG PHE B 84 5.829 -9.032 8.025 1.00 0.30 C ATOM 2438 CD1 PHE B 84 6.830 -8.107 8.338 1.00 0.43 C ATOM 2439 CD2 PHE B 84 5.564 -9.356 6.691 1.00 0.39 C ATOM 2440 CE1 PHE B 84 7.565 -7.504 7.316 1.00 0.49 C ATOM 2441 CE2 PHE B 84 6.301 -8.754 5.669 1.00 0.41 C ATOM 2442 CZ PHE B 84 7.301 -7.829 5.982 1.00 0.40 C ATOM 0 H PHE B 84 5.487 -8.734 11.285 1.00 0.32 H new ATOM 0 HA PHE B 84 3.891 -7.844 9.070 1.00 0.33 H new ATOM 0 HB2 PHE B 84 5.723 -10.042 9.906 1.00 0.31 H new ATOM 0 HB3 PHE B 84 4.526 -10.568 8.739 1.00 0.31 H new ATOM 0 HD1 PHE B 84 7.034 -7.859 9.369 1.00 0.43 H new ATOM 0 HD2 PHE B 84 4.791 -10.071 6.451 1.00 0.39 H new ATOM 0 HE1 PHE B 84 8.337 -6.787 7.555 1.00 0.49 H new ATOM 0 HE2 PHE B 84 6.099 -9.003 4.638 1.00 0.41 H new ATOM 0 HZ PHE B 84 7.871 -7.364 5.191 1.00 0.40 H new ATOM 2452 N ARG B 85 2.566 -10.265 10.865 1.00 0.34 N ATOM 2453 CA ARG B 85 1.267 -10.951 11.123 1.00 0.39 C ATOM 2454 C ARG B 85 0.253 -9.942 11.670 1.00 0.37 C ATOM 2455 O ARG B 85 -0.924 -10.004 11.369 1.00 0.40 O ATOM 2456 CB ARG B 85 1.581 -12.022 12.168 1.00 0.44 C ATOM 2457 CG ARG B 85 0.558 -13.154 12.062 1.00 0.56 C ATOM 2458 CD ARG B 85 -0.813 -12.647 12.513 1.00 0.63 C ATOM 2459 NE ARG B 85 -1.429 -13.794 13.235 1.00 0.67 N ATOM 2460 CZ ARG B 85 -2.725 -13.854 13.391 1.00 0.74 C ATOM 2461 NH1 ARG B 85 -3.415 -12.758 13.553 1.00 0.79 N ATOM 2462 NH2 ARG B 85 -3.329 -15.010 13.382 1.00 0.86 N ATOM 0 H ARG B 85 3.330 -10.542 11.481 1.00 0.34 H new ATOM 0 HA ARG B 85 0.836 -11.386 10.221 1.00 0.39 H new ATOM 0 HB2 ARG B 85 2.587 -12.411 12.014 1.00 0.44 H new ATOM 0 HB3 ARG B 85 1.557 -11.588 13.168 1.00 0.44 H new ATOM 0 HG2 ARG B 85 0.504 -13.515 11.035 1.00 0.56 H new ATOM 0 HG3 ARG B 85 0.867 -13.997 12.680 1.00 0.56 H new ATOM 0 HD2 ARG B 85 -0.718 -11.777 13.162 1.00 0.63 H new ATOM 0 HD3 ARG B 85 -1.422 -12.344 11.661 1.00 0.63 H new ATOM 0 HE ARG B 85 -0.837 -14.536 13.609 1.00 0.67 H new ATOM 0 HH11 ARG B 85 -2.943 -11.854 13.558 1.00 0.79 H new ATOM 0 HH12 ARG B 85 -4.427 -12.806 13.675 1.00 0.79 H new ATOM 0 HH21 ARG B 85 -2.790 -15.866 13.253 1.00 0.86 H new ATOM 0 HH22 ARG B 85 -4.341 -15.058 13.504 1.00 0.86 H new ATOM 2476 N LYS B 86 0.706 -9.006 12.465 1.00 0.36 N ATOM 2477 CA LYS B 86 -0.229 -7.982 13.022 1.00 0.38 C ATOM 2478 C LYS B 86 -0.689 -7.046 11.901 1.00 0.36 C ATOM 2479 O LYS B 86 -1.834 -6.631 11.854 1.00 0.42 O ATOM 2480 CB LYS B 86 0.587 -7.215 14.064 1.00 0.41 C ATOM 2481 CG LYS B 86 0.203 -7.689 15.467 1.00 0.54 C ATOM 2482 CD LYS B 86 1.115 -8.844 15.881 1.00 0.59 C ATOM 2483 CE LYS B 86 0.486 -10.173 15.455 1.00 0.48 C ATOM 2484 NZ LYS B 86 1.573 -11.179 15.608 1.00 0.67 N ATOM 0 H LYS B 86 1.680 -8.907 12.752 1.00 0.36 H new ATOM 0 HA LYS B 86 -1.122 -8.426 13.462 1.00 0.38 H new ATOM 0 HB2 LYS B 86 1.652 -7.373 13.895 1.00 0.41 H new ATOM 0 HB3 LYS B 86 0.404 -6.145 13.968 1.00 0.41 H new ATOM 0 HG2 LYS B 86 0.293 -6.867 16.178 1.00 0.54 H new ATOM 0 HG3 LYS B 86 -0.838 -8.010 15.482 1.00 0.54 H new ATOM 0 HD2 LYS B 86 2.096 -8.730 15.419 1.00 0.59 H new ATOM 0 HD3 LYS B 86 1.267 -8.832 16.960 1.00 0.59 H new ATOM 0 HE2 LYS B 86 -0.373 -10.421 16.079 1.00 0.48 H new ATOM 0 HE3 LYS B 86 0.130 -10.130 14.426 1.00 0.48 H new ATOM 0 HZ1 LYS B 86 1.251 -12.097 15.239 1.00 0.67 H new ATOM 0 HZ2 LYS B 86 2.411 -10.868 15.077 1.00 0.67 H new ATOM 0 HZ3 LYS B 86 1.817 -11.276 16.614 1.00 0.67 H new ATOM 2498 N GLU B 87 0.199 -6.720 10.994 1.00 0.33 N ATOM 2499 CA GLU B 87 -0.169 -5.817 9.864 1.00 0.34 C ATOM 2500 C GLU B 87 -1.073 -6.556 8.875 1.00 0.36 C ATOM 2501 O GLU B 87 -2.037 -6.007 8.376 1.00 0.39 O ATOM 2502 CB GLU B 87 1.158 -5.444 9.203 1.00 0.35 C ATOM 2503 CG GLU B 87 1.892 -4.419 10.073 1.00 0.34 C ATOM 2504 CD GLU B 87 2.564 -3.376 9.179 1.00 0.31 C ATOM 2505 OE1 GLU B 87 3.300 -3.772 8.290 1.00 0.40 O ATOM 2506 OE2 GLU B 87 2.332 -2.198 9.399 1.00 0.49 O ATOM 0 H GLU B 87 1.167 -7.043 10.989 1.00 0.33 H new ATOM 0 HA GLU B 87 -0.716 -4.936 10.200 1.00 0.34 H new ATOM 0 HB2 GLU B 87 1.774 -6.334 9.072 1.00 0.35 H new ATOM 0 HB3 GLU B 87 0.979 -5.032 8.210 1.00 0.35 H new ATOM 0 HG2 GLU B 87 1.190 -3.934 10.751 1.00 0.34 H new ATOM 0 HG3 GLU B 87 2.638 -4.919 10.690 1.00 0.34 H new ATOM 2513 N ILE B 88 -0.771 -7.799 8.593 1.00 0.36 N ATOM 2514 CA ILE B 88 -1.621 -8.573 7.642 1.00 0.38 C ATOM 2515 C ILE B 88 -2.995 -8.823 8.279 1.00 0.35 C ATOM 2516 O ILE B 88 -4.023 -8.716 7.628 1.00 0.37 O ATOM 2517 CB ILE B 88 -0.838 -9.872 7.370 1.00 0.42 C ATOM 2518 CG1 ILE B 88 -1.128 -10.339 5.943 1.00 0.44 C ATOM 2519 CG2 ILE B 88 -1.220 -10.982 8.360 1.00 0.42 C ATOM 2520 CD1 ILE B 88 -0.116 -9.705 4.987 1.00 0.51 C ATOM 0 H ILE B 88 0.024 -8.308 8.979 1.00 0.36 H new ATOM 0 HA ILE B 88 -1.817 -8.052 6.705 1.00 0.38 H new ATOM 0 HB ILE B 88 0.225 -9.664 7.496 1.00 0.42 H new ATOM 0 HG12 ILE B 88 -1.069 -11.426 5.885 1.00 0.44 H new ATOM 0 HG13 ILE B 88 -2.142 -10.059 5.656 1.00 0.44 H new ATOM 0 HG21 ILE B 88 -0.647 -11.882 8.136 1.00 0.42 H new ATOM 0 HG22 ILE B 88 -1.000 -10.655 9.376 1.00 0.42 H new ATOM 0 HG23 ILE B 88 -2.285 -11.198 8.271 1.00 0.42 H new ATOM 0 HD11 ILE B 88 -0.320 -10.036 3.969 1.00 0.51 H new ATOM 0 HD12 ILE B 88 -0.197 -8.619 5.039 1.00 0.51 H new ATOM 0 HD13 ILE B 88 0.892 -10.007 5.271 1.00 0.51 H new ATOM 2532 N GLY B 89 -3.019 -9.122 9.557 1.00 0.36 N ATOM 2533 CA GLY B 89 -4.322 -9.343 10.252 1.00 0.35 C ATOM 2534 C GLY B 89 -5.147 -8.066 10.111 1.00 0.33 C ATOM 2535 O GLY B 89 -6.337 -8.099 9.849 1.00 0.35 O ATOM 0 H GLY B 89 -2.192 -9.222 10.146 1.00 0.36 H new ATOM 0 HA2 GLY B 89 -4.850 -10.190 9.814 1.00 0.35 H new ATOM 0 HA3 GLY B 89 -4.159 -9.579 11.304 1.00 0.35 H new ATOM 2539 N ARG B 90 -4.504 -6.936 10.254 1.00 0.32 N ATOM 2540 CA ARG B 90 -5.221 -5.643 10.098 1.00 0.33 C ATOM 2541 C ARG B 90 -5.700 -5.512 8.654 1.00 0.31 C ATOM 2542 O ARG B 90 -6.736 -4.933 8.388 1.00 0.32 O ATOM 2543 CB ARG B 90 -4.184 -4.564 10.401 1.00 0.38 C ATOM 2544 CG ARG B 90 -4.024 -4.405 11.911 1.00 0.47 C ATOM 2545 CD ARG B 90 -2.906 -3.400 12.186 1.00 0.62 C ATOM 2546 NE ARG B 90 -3.357 -2.639 13.384 1.00 0.76 N ATOM 2547 CZ ARG B 90 -2.604 -2.589 14.448 1.00 0.92 C ATOM 2548 NH1 ARG B 90 -2.429 -3.660 15.172 1.00 1.13 N ATOM 2549 NH2 ARG B 90 -2.029 -1.470 14.788 1.00 1.31 N ATOM 0 H ARG B 90 -3.511 -6.857 10.473 1.00 0.32 H new ATOM 0 HA ARG B 90 -6.088 -5.564 10.755 1.00 0.33 H new ATOM 0 HB2 ARG B 90 -3.227 -4.830 9.951 1.00 0.38 H new ATOM 0 HB3 ARG B 90 -4.492 -3.617 9.958 1.00 0.38 H new ATOM 0 HG2 ARG B 90 -4.958 -4.061 12.355 1.00 0.47 H new ATOM 0 HG3 ARG B 90 -3.788 -5.366 12.369 1.00 0.47 H new ATOM 0 HD2 ARG B 90 -1.959 -3.905 12.373 1.00 0.62 H new ATOM 0 HD3 ARG B 90 -2.752 -2.739 11.334 1.00 0.62 H new ATOM 0 HE ARG B 90 -4.256 -2.156 13.373 1.00 0.76 H new ATOM 0 HH11 ARG B 90 -2.881 -4.535 14.906 1.00 1.13 H new ATOM 0 HH12 ARG B 90 -1.840 -3.622 16.004 1.00 1.13 H new ATOM 0 HH21 ARG B 90 -2.168 -0.633 14.222 1.00 1.31 H new ATOM 0 HH22 ARG B 90 -1.440 -1.431 15.620 1.00 1.31 H new ATOM 2563 N MET B 91 -4.953 -6.072 7.723 1.00 0.33 N ATOM 2564 CA MET B 91 -5.352 -6.005 6.287 1.00 0.33 C ATOM 2565 C MET B 91 -6.733 -6.620 6.153 1.00 0.30 C ATOM 2566 O MET B 91 -7.599 -6.102 5.473 1.00 0.33 O ATOM 2567 CB MET B 91 -4.304 -6.830 5.536 1.00 0.37 C ATOM 2568 CG MET B 91 -3.890 -6.094 4.260 1.00 0.57 C ATOM 2569 SD MET B 91 -2.538 -6.991 3.458 1.00 0.68 S ATOM 2570 CE MET B 91 -1.183 -6.270 4.418 1.00 0.91 C ATOM 0 H MET B 91 -4.083 -6.572 7.904 1.00 0.33 H new ATOM 0 HA MET B 91 -5.395 -4.990 5.893 1.00 0.33 H new ATOM 0 HB2 MET B 91 -3.434 -6.996 6.171 1.00 0.37 H new ATOM 0 HB3 MET B 91 -4.709 -7.811 5.287 1.00 0.37 H new ATOM 0 HG2 MET B 91 -4.740 -6.013 3.582 1.00 0.57 H new ATOM 0 HG3 MET B 91 -3.575 -5.078 4.499 1.00 0.57 H new ATOM 0 HE1 MET B 91 -0.312 -6.923 4.366 1.00 0.91 H new ATOM 0 HE2 MET B 91 -0.928 -5.292 4.010 1.00 0.91 H new ATOM 0 HE3 MET B 91 -1.492 -6.160 5.458 1.00 0.91 H new ATOM 2580 N LEU B 92 -6.949 -7.707 6.840 1.00 0.30 N ATOM 2581 CA LEU B 92 -8.285 -8.356 6.809 1.00 0.31 C ATOM 2582 C LEU B 92 -9.288 -7.399 7.420 1.00 0.31 C ATOM 2583 O LEU B 92 -10.378 -7.219 6.908 1.00 0.33 O ATOM 2584 CB LEU B 92 -8.130 -9.612 7.640 1.00 0.34 C ATOM 2585 CG LEU B 92 -7.119 -10.501 6.934 1.00 0.38 C ATOM 2586 CD1 LEU B 92 -6.360 -11.342 7.965 1.00 0.48 C ATOM 2587 CD2 LEU B 92 -7.843 -11.423 5.945 1.00 0.43 C ATOM 0 H LEU B 92 -6.254 -8.174 7.423 1.00 0.30 H new ATOM 0 HA LEU B 92 -8.635 -8.602 5.806 1.00 0.31 H new ATOM 0 HB2 LEU B 92 -7.790 -9.367 8.646 1.00 0.34 H new ATOM 0 HB3 LEU B 92 -9.086 -10.125 7.743 1.00 0.34 H new ATOM 0 HG LEU B 92 -6.410 -9.877 6.390 1.00 0.38 H new ATOM 0 HD11 LEU B 92 -5.637 -11.978 7.454 1.00 0.48 H new ATOM 0 HD12 LEU B 92 -5.838 -10.683 8.659 1.00 0.48 H new ATOM 0 HD13 LEU B 92 -7.065 -11.965 8.516 1.00 0.48 H new ATOM 0 HD21 LEU B 92 -7.115 -12.059 5.441 1.00 0.43 H new ATOM 0 HD22 LEU B 92 -8.557 -12.046 6.484 1.00 0.43 H new ATOM 0 HD23 LEU B 92 -8.372 -10.821 5.206 1.00 0.43 H new ATOM 2599 N ASN B 93 -8.901 -6.742 8.488 1.00 0.32 N ATOM 2600 CA ASN B 93 -9.808 -5.740 9.112 1.00 0.35 C ATOM 2601 C ASN B 93 -10.211 -4.732 8.032 1.00 0.35 C ATOM 2602 O ASN B 93 -11.258 -4.117 8.100 1.00 0.42 O ATOM 2603 CB ASN B 93 -8.981 -5.067 10.212 1.00 0.40 C ATOM 2604 CG ASN B 93 -9.755 -5.111 11.531 1.00 0.94 C ATOM 2605 OD1 ASN B 93 -10.755 -4.438 11.685 1.00 1.67 O ATOM 2606 ND2 ASN B 93 -9.332 -5.881 12.496 1.00 1.23 N ATOM 0 H ASN B 93 -7.999 -6.859 8.949 1.00 0.32 H new ATOM 0 HA ASN B 93 -10.716 -6.175 9.529 1.00 0.35 H new ATOM 0 HB2 ASN B 93 -8.023 -5.574 10.323 1.00 0.40 H new ATOM 0 HB3 ASN B 93 -8.765 -4.034 9.939 1.00 0.40 H new ATOM 0 HD21 ASN B 93 -9.841 -5.918 13.379 1.00 1.23 H new ATOM 0 HD22 ASN B 93 -8.493 -6.446 12.367 1.00 1.23 H new ATOM 2613 N ILE B 94 -9.383 -4.588 7.018 1.00 0.31 N ATOM 2614 CA ILE B 94 -9.713 -3.650 5.905 1.00 0.34 C ATOM 2615 C ILE B 94 -10.582 -4.361 4.865 1.00 0.33 C ATOM 2616 O ILE B 94 -11.495 -3.770 4.320 1.00 0.38 O ATOM 2617 CB ILE B 94 -8.388 -3.211 5.254 1.00 0.39 C ATOM 2618 CG1 ILE B 94 -7.265 -3.155 6.300 1.00 0.41 C ATOM 2619 CG2 ILE B 94 -8.585 -1.828 4.619 1.00 0.47 C ATOM 2620 CD1 ILE B 94 -6.034 -2.432 5.740 1.00 0.56 C ATOM 0 H ILE B 94 -8.496 -5.081 6.919 1.00 0.31 H new ATOM 0 HA ILE B 94 -10.261 -2.788 6.285 1.00 0.34 H new ATOM 0 HB ILE B 94 -8.103 -3.934 4.490 1.00 0.39 H new ATOM 0 HG12 ILE B 94 -7.619 -2.640 7.193 1.00 0.41 H new ATOM 0 HG13 ILE B 94 -6.992 -4.166 6.602 1.00 0.41 H new ATOM 0 HG21 ILE B 94 -7.653 -1.505 4.154 1.00 0.47 H new ATOM 0 HG22 ILE B 94 -9.368 -1.883 3.863 1.00 0.47 H new ATOM 0 HG23 ILE B 94 -8.874 -1.112 5.389 1.00 0.47 H new ATOM 0 HD11 ILE B 94 -5.252 -2.405 6.499 1.00 0.56 H new ATOM 0 HD12 ILE B 94 -5.669 -2.963 4.861 1.00 0.56 H new ATOM 0 HD13 ILE B 94 -6.305 -1.414 5.462 1.00 0.56 H new ATOM 2632 N LEU B 95 -10.309 -5.619 4.562 1.00 0.30 N ATOM 2633 CA LEU B 95 -11.151 -6.308 3.529 1.00 0.31 C ATOM 2634 C LEU B 95 -12.322 -7.063 4.170 1.00 0.32 C ATOM 2635 O LEU B 95 -12.976 -7.861 3.524 1.00 0.37 O ATOM 2636 CB LEU B 95 -10.222 -7.266 2.774 1.00 0.31 C ATOM 2637 CG LEU B 95 -9.532 -8.218 3.746 1.00 0.31 C ATOM 2638 CD1 LEU B 95 -10.082 -9.633 3.558 1.00 0.44 C ATOM 2639 CD2 LEU B 95 -8.026 -8.216 3.466 1.00 0.42 C ATOM 0 H LEU B 95 -9.563 -6.179 4.974 1.00 0.30 H new ATOM 0 HA LEU B 95 -11.597 -5.581 2.850 1.00 0.31 H new ATOM 0 HB2 LEU B 95 -10.795 -7.836 2.042 1.00 0.31 H new ATOM 0 HB3 LEU B 95 -9.475 -6.697 2.221 1.00 0.31 H new ATOM 0 HG LEU B 95 -9.718 -7.893 4.770 1.00 0.31 H new ATOM 0 HD11 LEU B 95 -9.587 -10.311 4.254 1.00 0.44 H new ATOM 0 HD12 LEU B 95 -11.155 -9.635 3.750 1.00 0.44 H new ATOM 0 HD13 LEU B 95 -9.896 -9.963 2.536 1.00 0.44 H new ATOM 0 HD21 LEU B 95 -7.526 -8.895 4.157 1.00 0.42 H new ATOM 0 HD22 LEU B 95 -7.846 -8.544 2.442 1.00 0.42 H new ATOM 0 HD23 LEU B 95 -7.633 -7.208 3.599 1.00 0.42 H new ATOM 2651 N ASN B 96 -12.607 -6.803 5.425 1.00 0.33 N ATOM 2652 CA ASN B 96 -13.757 -7.491 6.094 1.00 0.40 C ATOM 2653 C ASN B 96 -14.856 -6.475 6.431 1.00 0.48 C ATOM 2654 O ASN B 96 -15.997 -6.835 6.651 1.00 0.57 O ATOM 2655 CB ASN B 96 -13.183 -8.097 7.373 1.00 0.40 C ATOM 2656 CG ASN B 96 -12.551 -9.452 7.052 1.00 0.42 C ATOM 2657 OD1 ASN B 96 -11.377 -9.742 7.538 1.00 0.53 O flip ATOM 2658 ND2 ASN B 96 -13.132 -10.255 6.350 1.00 0.44 N flip ATOM 0 H ASN B 96 -12.094 -6.146 6.013 1.00 0.33 H new ATOM 0 HA ASN B 96 -14.205 -8.251 5.454 1.00 0.40 H new ATOM 0 HB2 ASN B 96 -12.438 -7.428 7.803 1.00 0.40 H new ATOM 0 HB3 ASN B 96 -13.970 -8.217 8.117 1.00 0.40 H new ATOM 0 HD21 ASN B 96 -14.051 -10.029 5.969 1.00 0.44 H new ATOM 0 HD22 ASN B 96 -12.701 -11.156 6.141 1.00 0.44 H new