USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=24 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+ -134:sc= 0.0316 (180deg=0) USER MOD Single : A 48 MET CE :methyl -168:sc= -0.87 (180deg=-1.49) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.115 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 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -101:sc= -0.0521 (180deg=-0.429) USER MOD Single : A 74 LYS NZ :NH3+ 147:sc= 0.853 (180deg=0.161) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 0.879 (180deg=0.748) USER MOD Single : A 79 ASN : amide:sc= 0.971 K(o=0.97,f=-0.32) USER MOD Single : A 86 LYS NZ :NH3+ -128:sc= -0.0228 (180deg=-0.258) USER MOD Single : A 91 MET CE :methyl -107:sc= -1.15 (180deg=-4.1!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.427 F(o=-2.9,f=-0.43) USER MOD Single : B 45 LYS NZ :NH3+ -134:sc= 0.0263 (180deg=0) USER MOD Single : B 48 MET CE :methyl -169:sc= -0.885 (180deg=-1.66) USER MOD Single : B 58 THR OG1 : rot 180:sc= -0.0103 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 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ 170:sc= -0.0406 (180deg=-0.181) USER MOD Single : B 74 LYS NZ :NH3+ 147:sc= 0.87 (180deg=0.141) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 76 LYS NZ :NH3+ -170:sc= 0.892 (180deg=0.742) USER MOD Single : B 79 ASN : amide:sc= 1.06 K(o=1.1,f=-0.35) USER MOD Single : B 86 LYS NZ :NH3+ -120:sc=-0.00975 (180deg=-0.244) USER MOD Single : B 91 MET CE :methyl -110:sc= -1.17 (180deg=-4.04!) USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 96 ASN :FLIP amide:sc= -0.454 F(o=-2.9,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 357 N PRO A 43 -2.334 -18.078 -7.717 1.00 0.43 N ATOM 358 CA PRO A 43 -1.825 -17.446 -6.485 1.00 0.40 C ATOM 359 C PRO A 43 -2.593 -16.152 -6.194 1.00 0.38 C ATOM 360 O PRO A 43 -3.037 -15.919 -5.085 1.00 0.42 O ATOM 361 CB PRO A 43 -0.369 -17.147 -6.822 1.00 0.42 C ATOM 362 CG PRO A 43 -0.312 -17.032 -8.318 1.00 0.43 C ATOM 363 CD PRO A 43 -1.556 -17.672 -8.892 1.00 0.47 C ATOM 0 HA PRO A 43 -1.937 -18.072 -5.599 1.00 0.40 H new ATOM 0 HB2 PRO A 43 -0.039 -16.224 -6.346 1.00 0.42 H new ATOM 0 HB3 PRO A 43 0.286 -17.942 -6.465 1.00 0.42 H new ATOM 0 HG2 PRO A 43 -0.252 -15.985 -8.616 1.00 0.43 H new ATOM 0 HG3 PRO A 43 0.581 -17.525 -8.703 1.00 0.43 H new ATOM 0 HD2 PRO A 43 -2.113 -16.971 -9.514 1.00 0.47 H new ATOM 0 HD3 PRO A 43 -1.309 -18.528 -9.520 1.00 0.47 H new ATOM 371 N LEU A 44 -2.743 -15.310 -7.187 1.00 0.36 N ATOM 372 CA LEU A 44 -3.472 -14.017 -6.999 1.00 0.37 C ATOM 373 C LEU A 44 -2.854 -13.203 -5.858 1.00 0.43 C ATOM 374 O LEU A 44 -3.483 -12.322 -5.304 1.00 0.80 O ATOM 375 CB LEU A 44 -4.912 -14.396 -6.660 1.00 0.42 C ATOM 376 CG LEU A 44 -5.806 -13.167 -6.848 1.00 0.52 C ATOM 377 CD1 LEU A 44 -7.010 -13.532 -7.721 1.00 0.82 C ATOM 378 CD2 LEU A 44 -6.296 -12.668 -5.484 1.00 0.62 C ATOM 0 H LEU A 44 -2.387 -15.465 -8.130 1.00 0.36 H new ATOM 0 HA LEU A 44 -3.416 -13.398 -7.895 1.00 0.37 H new ATOM 0 HB2 LEU A 44 -5.249 -15.209 -7.303 1.00 0.42 H new ATOM 0 HB3 LEU A 44 -4.975 -14.755 -5.633 1.00 0.42 H new ATOM 0 HG LEU A 44 -5.231 -12.379 -7.335 1.00 0.52 H new ATOM 0 HD11 LEU A 44 -7.644 -12.655 -7.852 1.00 0.82 H new ATOM 0 HD12 LEU A 44 -6.662 -13.877 -8.695 1.00 0.82 H new ATOM 0 HD13 LEU A 44 -7.583 -14.324 -7.238 1.00 0.82 H new ATOM 0 HD21 LEU A 44 -6.932 -11.794 -5.623 1.00 0.62 H new ATOM 0 HD22 LEU A 44 -6.866 -13.456 -4.992 1.00 0.62 H new ATOM 0 HD23 LEU A 44 -5.439 -12.399 -4.866 1.00 0.62 H new ATOM 390 N LYS A 45 -1.625 -13.484 -5.517 1.00 0.44 N ATOM 391 CA LYS A 45 -0.953 -12.720 -4.424 1.00 0.43 C ATOM 392 C LYS A 45 -0.188 -11.542 -5.030 1.00 0.36 C ATOM 393 O LYS A 45 -0.031 -10.514 -4.411 1.00 0.37 O ATOM 394 CB LYS A 45 -0.001 -13.717 -3.755 1.00 0.54 C ATOM 395 CG LYS A 45 1.091 -14.141 -4.741 1.00 0.51 C ATOM 396 CD LYS A 45 2.082 -15.076 -4.043 1.00 0.63 C ATOM 397 CE LYS A 45 1.363 -16.358 -3.613 1.00 0.48 C ATOM 398 NZ LYS A 45 2.394 -17.150 -2.886 1.00 0.42 N ATOM 0 H LYS A 45 -1.055 -14.211 -5.949 1.00 0.44 H new ATOM 0 HA LYS A 45 -1.656 -12.309 -3.700 1.00 0.43 H new ATOM 0 HB2 LYS A 45 0.451 -13.265 -2.872 1.00 0.54 H new ATOM 0 HB3 LYS A 45 -0.556 -14.592 -3.417 1.00 0.54 H new ATOM 0 HG2 LYS A 45 0.644 -14.644 -5.599 1.00 0.51 H new ATOM 0 HG3 LYS A 45 1.612 -13.262 -5.122 1.00 0.51 H new ATOM 0 HD2 LYS A 45 2.906 -15.317 -4.715 1.00 0.63 H new ATOM 0 HD3 LYS A 45 2.515 -14.581 -3.174 1.00 0.63 H new ATOM 0 HE2 LYS A 45 0.510 -16.136 -2.972 1.00 0.48 H new ATOM 0 HE3 LYS A 45 0.980 -16.904 -4.475 1.00 0.48 H new ATOM 0 HZ1 LYS A 45 2.367 -18.137 -3.212 1.00 0.42 H new ATOM 0 HZ2 LYS A 45 3.335 -16.749 -3.073 1.00 0.42 H new ATOM 0 HZ3 LYS A 45 2.200 -17.118 -1.865 1.00 0.42 H new ATOM 412 N LEU A 46 0.280 -11.702 -6.246 1.00 0.36 N ATOM 413 CA LEU A 46 1.038 -10.616 -6.954 1.00 0.34 C ATOM 414 C LEU A 46 0.499 -9.218 -6.597 1.00 0.31 C ATOM 415 O LEU A 46 1.256 -8.303 -6.320 1.00 0.33 O ATOM 416 CB LEU A 46 0.794 -10.900 -8.444 1.00 0.37 C ATOM 417 CG LEU A 46 2.123 -10.985 -9.201 1.00 0.39 C ATOM 418 CD1 LEU A 46 2.924 -9.692 -9.007 1.00 0.48 C ATOM 419 CD2 LEU A 46 2.929 -12.179 -8.681 1.00 0.44 C ATOM 0 H LEU A 46 0.167 -12.557 -6.790 1.00 0.36 H new ATOM 0 HA LEU A 46 2.092 -10.616 -6.677 1.00 0.34 H new ATOM 0 HB2 LEU A 46 0.245 -11.835 -8.556 1.00 0.37 H new ATOM 0 HB3 LEU A 46 0.174 -10.113 -8.873 1.00 0.37 H new ATOM 0 HG LEU A 46 1.923 -11.117 -10.264 1.00 0.39 H new ATOM 0 HD11 LEU A 46 3.867 -9.763 -9.549 1.00 0.48 H new ATOM 0 HD12 LEU A 46 2.349 -8.847 -9.388 1.00 0.48 H new ATOM 0 HD13 LEU A 46 3.126 -9.545 -7.946 1.00 0.48 H new ATOM 0 HD21 LEU A 46 3.875 -12.241 -9.219 1.00 0.44 H new ATOM 0 HD22 LEU A 46 3.124 -12.050 -7.616 1.00 0.44 H new ATOM 0 HD23 LEU A 46 2.362 -13.097 -8.837 1.00 0.44 H new ATOM 431 N PHE A 47 -0.802 -9.056 -6.595 1.00 0.31 N ATOM 432 CA PHE A 47 -1.398 -7.728 -6.262 1.00 0.32 C ATOM 433 C PHE A 47 -1.362 -7.526 -4.752 1.00 0.31 C ATOM 434 O PHE A 47 -0.998 -6.474 -4.261 1.00 0.34 O ATOM 435 CB PHE A 47 -2.841 -7.803 -6.774 1.00 0.37 C ATOM 436 CG PHE A 47 -3.658 -6.681 -6.176 1.00 0.37 C ATOM 437 CD1 PHE A 47 -3.236 -5.354 -6.317 1.00 0.41 C ATOM 438 CD2 PHE A 47 -4.833 -6.972 -5.473 1.00 0.46 C ATOM 439 CE1 PHE A 47 -3.991 -4.318 -5.755 1.00 0.50 C ATOM 440 CE2 PHE A 47 -5.586 -5.936 -4.909 1.00 0.53 C ATOM 441 CZ PHE A 47 -5.165 -4.609 -5.050 1.00 0.54 C ATOM 0 H PHE A 47 -1.477 -9.790 -6.811 1.00 0.31 H new ATOM 0 HA PHE A 47 -0.861 -6.893 -6.712 1.00 0.32 H new ATOM 0 HB2 PHE A 47 -2.854 -7.734 -7.862 1.00 0.37 H new ATOM 0 HB3 PHE A 47 -3.280 -8.765 -6.510 1.00 0.37 H new ATOM 0 HD1 PHE A 47 -2.329 -5.130 -6.859 1.00 0.41 H new ATOM 0 HD2 PHE A 47 -5.158 -7.996 -5.366 1.00 0.46 H new ATOM 0 HE1 PHE A 47 -3.668 -3.293 -5.865 1.00 0.50 H new ATOM 0 HE2 PHE A 47 -6.492 -6.161 -4.365 1.00 0.53 H new ATOM 0 HZ PHE A 47 -5.746 -3.809 -4.615 1.00 0.54 H new ATOM 451 N MET A 48 -1.730 -8.540 -4.022 1.00 0.33 N ATOM 452 CA MET A 48 -1.718 -8.450 -2.538 1.00 0.35 C ATOM 453 C MET A 48 -0.314 -8.088 -2.054 1.00 0.33 C ATOM 454 O MET A 48 -0.133 -7.168 -1.284 1.00 0.37 O ATOM 455 CB MET A 48 -2.103 -9.850 -2.066 1.00 0.40 C ATOM 456 CG MET A 48 -2.976 -9.741 -0.820 1.00 0.50 C ATOM 457 SD MET A 48 -4.692 -10.144 -1.232 1.00 0.59 S ATOM 458 CE MET A 48 -4.905 -8.915 -2.542 1.00 0.55 C ATOM 0 H MET A 48 -2.042 -9.437 -4.395 1.00 0.33 H new ATOM 0 HA MET A 48 -2.396 -7.687 -2.155 1.00 0.35 H new ATOM 0 HB2 MET A 48 -2.640 -10.377 -2.855 1.00 0.40 H new ATOM 0 HB3 MET A 48 -1.207 -10.431 -1.847 1.00 0.40 H new ATOM 0 HG2 MET A 48 -2.610 -10.418 -0.048 1.00 0.50 H new ATOM 0 HG3 MET A 48 -2.918 -8.732 -0.412 1.00 0.50 H new ATOM 0 HE1 MET A 48 -5.961 -8.837 -2.800 1.00 0.55 H new ATOM 0 HE2 MET A 48 -4.544 -7.947 -2.195 1.00 0.55 H new ATOM 0 HE3 MET A 48 -4.338 -9.219 -3.422 1.00 0.55 H new ATOM 468 N ALA A 49 0.676 -8.806 -2.515 1.00 0.32 N ATOM 469 CA ALA A 49 2.080 -8.519 -2.105 1.00 0.32 C ATOM 470 C ALA A 49 2.456 -7.088 -2.491 1.00 0.31 C ATOM 471 O ALA A 49 3.064 -6.371 -1.717 1.00 0.35 O ATOM 472 CB ALA A 49 2.934 -9.527 -2.876 1.00 0.38 C ATOM 0 H ALA A 49 0.570 -9.586 -3.164 1.00 0.32 H new ATOM 0 HA ALA A 49 2.224 -8.607 -1.028 1.00 0.32 H new ATOM 0 HB1 ALA A 49 3.985 -9.379 -2.627 1.00 0.38 H new ATOM 0 HB2 ALA A 49 2.636 -10.540 -2.604 1.00 0.38 H new ATOM 0 HB3 ALA A 49 2.791 -9.381 -3.947 1.00 0.38 H new ATOM 478 N LEU A 50 2.101 -6.664 -3.681 1.00 0.32 N ATOM 479 CA LEU A 50 2.443 -5.273 -4.107 1.00 0.35 C ATOM 480 C LEU A 50 1.823 -4.255 -3.144 1.00 0.34 C ATOM 481 O LEU A 50 2.527 -3.505 -2.491 1.00 0.36 O ATOM 482 CB LEU A 50 1.856 -5.120 -5.510 1.00 0.40 C ATOM 483 CG LEU A 50 2.832 -4.331 -6.388 1.00 0.65 C ATOM 484 CD1 LEU A 50 4.147 -5.105 -6.522 1.00 1.03 C ATOM 485 CD2 LEU A 50 2.218 -4.128 -7.775 1.00 1.00 C ATOM 0 H LEU A 50 1.593 -7.218 -4.370 1.00 0.32 H new ATOM 0 HA LEU A 50 3.519 -5.097 -4.102 1.00 0.35 H new ATOM 0 HB2 LEU A 50 1.669 -6.101 -5.947 1.00 0.40 H new ATOM 0 HB3 LEU A 50 0.897 -4.605 -5.460 1.00 0.40 H new ATOM 0 HG LEU A 50 3.028 -3.362 -5.929 1.00 0.65 H new ATOM 0 HD11 LEU A 50 4.839 -4.541 -7.147 1.00 1.03 H new ATOM 0 HD12 LEU A 50 4.586 -5.250 -5.535 1.00 1.03 H new ATOM 0 HD13 LEU A 50 3.953 -6.075 -6.979 1.00 1.03 H new ATOM 0 HD21 LEU A 50 2.911 -3.567 -8.401 1.00 1.00 H new ATOM 0 HD22 LEU A 50 2.021 -5.098 -8.231 1.00 1.00 H new ATOM 0 HD23 LEU A 50 1.284 -3.574 -7.682 1.00 1.00 H new ATOM 497 N VAL A 51 0.514 -4.221 -3.042 1.00 0.36 N ATOM 498 CA VAL A 51 -0.131 -3.252 -2.117 1.00 0.39 C ATOM 499 C VAL A 51 0.325 -3.530 -0.680 1.00 0.36 C ATOM 500 O VAL A 51 0.416 -2.630 0.131 1.00 0.39 O ATOM 501 CB VAL A 51 -1.638 -3.472 -2.282 1.00 0.44 C ATOM 502 CG1 VAL A 51 -2.392 -2.554 -1.328 1.00 0.51 C ATOM 503 CG2 VAL A 51 -2.042 -3.146 -3.722 1.00 0.55 C ATOM 0 H VAL A 51 -0.127 -4.822 -3.560 1.00 0.36 H new ATOM 0 HA VAL A 51 0.136 -2.218 -2.337 1.00 0.39 H new ATOM 0 HB VAL A 51 -1.882 -4.511 -2.058 1.00 0.44 H new ATOM 0 HG11 VAL A 51 -3.464 -2.710 -1.445 1.00 0.51 H new ATOM 0 HG12 VAL A 51 -2.102 -2.779 -0.302 1.00 0.51 H new ATOM 0 HG13 VAL A 51 -2.149 -1.516 -1.554 1.00 0.51 H new ATOM 0 HG21 VAL A 51 -3.114 -3.301 -3.843 1.00 0.55 H new ATOM 0 HG22 VAL A 51 -1.799 -2.106 -3.942 1.00 0.55 H new ATOM 0 HG23 VAL A 51 -1.501 -3.798 -4.408 1.00 0.55 H new ATOM 513 N ALA A 52 0.632 -4.767 -0.370 1.00 0.35 N ATOM 514 CA ALA A 52 1.107 -5.102 1.009 1.00 0.35 C ATOM 515 C ALA A 52 2.452 -4.420 1.259 1.00 0.32 C ATOM 516 O ALA A 52 2.637 -3.745 2.254 1.00 0.36 O ATOM 517 CB ALA A 52 1.264 -6.622 1.031 1.00 0.37 C ATOM 0 H ALA A 52 0.574 -5.558 -1.012 1.00 0.35 H new ATOM 0 HA ALA A 52 0.416 -4.765 1.781 1.00 0.35 H new ATOM 0 HB1 ALA A 52 1.611 -6.938 2.015 1.00 0.37 H new ATOM 0 HB2 ALA A 52 0.303 -7.090 0.817 1.00 0.37 H new ATOM 0 HB3 ALA A 52 1.990 -6.924 0.276 1.00 0.37 H new ATOM 523 N PHE A 53 3.384 -4.579 0.347 1.00 0.31 N ATOM 524 CA PHE A 53 4.719 -3.923 0.505 1.00 0.33 C ATOM 525 C PHE A 53 4.508 -2.431 0.772 1.00 0.32 C ATOM 526 O PHE A 53 4.979 -1.882 1.756 1.00 0.33 O ATOM 527 CB PHE A 53 5.424 -4.147 -0.836 1.00 0.39 C ATOM 528 CG PHE A 53 6.716 -3.368 -0.873 1.00 0.44 C ATOM 529 CD1 PHE A 53 7.698 -3.594 0.098 1.00 0.58 C ATOM 530 CD2 PHE A 53 6.929 -2.420 -1.878 1.00 0.55 C ATOM 531 CE1 PHE A 53 8.895 -2.869 0.063 1.00 0.67 C ATOM 532 CE2 PHE A 53 8.124 -1.694 -1.914 1.00 0.64 C ATOM 533 CZ PHE A 53 9.107 -1.919 -0.944 1.00 0.64 C ATOM 0 H PHE A 53 3.275 -5.136 -0.500 1.00 0.31 H new ATOM 0 HA PHE A 53 5.304 -4.323 1.333 1.00 0.33 H new ATOM 0 HB2 PHE A 53 5.625 -5.209 -0.978 1.00 0.39 H new ATOM 0 HB3 PHE A 53 4.776 -3.833 -1.654 1.00 0.39 H new ATOM 0 HD1 PHE A 53 7.533 -4.327 0.874 1.00 0.58 H new ATOM 0 HD2 PHE A 53 6.170 -2.248 -2.627 1.00 0.55 H new ATOM 0 HE1 PHE A 53 9.654 -3.042 0.812 1.00 0.67 H new ATOM 0 HE2 PHE A 53 8.288 -0.961 -2.690 1.00 0.64 H new ATOM 0 HZ PHE A 53 10.030 -1.359 -0.972 1.00 0.64 H new ATOM 543 N LEU A 54 3.763 -1.779 -0.081 1.00 0.35 N ATOM 544 CA LEU A 54 3.480 -0.336 0.137 1.00 0.38 C ATOM 545 C LEU A 54 2.760 -0.181 1.480 1.00 0.36 C ATOM 546 O LEU A 54 3.005 0.749 2.221 1.00 0.40 O ATOM 547 CB LEU A 54 2.575 0.077 -1.027 1.00 0.44 C ATOM 548 CG LEU A 54 3.430 0.565 -2.203 1.00 0.51 C ATOM 549 CD1 LEU A 54 4.232 1.798 -1.782 1.00 0.53 C ATOM 550 CD2 LEU A 54 4.394 -0.544 -2.637 1.00 0.59 C ATOM 0 H LEU A 54 3.341 -2.185 -0.916 1.00 0.35 H new ATOM 0 HA LEU A 54 4.377 0.282 0.168 1.00 0.38 H new ATOM 0 HB2 LEU A 54 1.960 -0.767 -1.339 1.00 0.44 H new ATOM 0 HB3 LEU A 54 1.895 0.867 -0.708 1.00 0.44 H new ATOM 0 HG LEU A 54 2.776 0.824 -3.036 1.00 0.51 H new ATOM 0 HD11 LEU A 54 4.838 2.141 -2.620 1.00 0.53 H new ATOM 0 HD12 LEU A 54 3.548 2.591 -1.480 1.00 0.53 H new ATOM 0 HD13 LEU A 54 4.882 1.541 -0.946 1.00 0.53 H new ATOM 0 HD21 LEU A 54 5.000 -0.193 -3.473 1.00 0.59 H new ATOM 0 HD22 LEU A 54 5.044 -0.808 -1.803 1.00 0.59 H new ATOM 0 HD23 LEU A 54 3.825 -1.421 -2.944 1.00 0.59 H new ATOM 562 N ARG A 55 1.894 -1.114 1.804 1.00 0.35 N ATOM 563 CA ARG A 55 1.166 -1.053 3.109 1.00 0.36 C ATOM 564 C ARG A 55 2.113 -1.395 4.265 1.00 0.34 C ATOM 565 O ARG A 55 1.753 -1.295 5.423 1.00 0.40 O ATOM 566 CB ARG A 55 0.049 -2.093 3.003 1.00 0.37 C ATOM 567 CG ARG A 55 -0.914 -1.931 4.184 1.00 0.41 C ATOM 568 CD ARG A 55 -0.718 -3.084 5.171 1.00 0.42 C ATOM 569 NE ARG A 55 -1.543 -2.717 6.356 1.00 0.44 N ATOM 570 CZ ARG A 55 -0.965 -2.437 7.494 1.00 0.43 C ATOM 571 NH1 ARG A 55 0.137 -1.739 7.512 1.00 0.43 N ATOM 572 NH2 ARG A 55 -1.493 -2.852 8.613 1.00 0.48 N ATOM 0 H ARG A 55 1.661 -1.916 1.218 1.00 0.35 H new ATOM 0 HA ARG A 55 0.771 -0.057 3.307 1.00 0.36 H new ATOM 0 HB2 ARG A 55 -0.488 -1.971 2.063 1.00 0.37 H new ATOM 0 HB3 ARG A 55 0.472 -3.098 3.000 1.00 0.37 H new ATOM 0 HG2 ARG A 55 -0.736 -0.978 4.683 1.00 0.41 H new ATOM 0 HG3 ARG A 55 -1.944 -1.916 3.827 1.00 0.41 H new ATOM 0 HD2 ARG A 55 -1.043 -4.032 4.741 1.00 0.42 H new ATOM 0 HD3 ARG A 55 0.332 -3.199 5.441 1.00 0.42 H new ATOM 0 HE ARG A 55 -2.560 -2.684 6.279 1.00 0.44 H new ATOM 0 HH11 ARG A 55 0.548 -1.412 6.638 1.00 0.43 H new ATOM 0 HH12 ARG A 55 0.588 -1.521 8.400 1.00 0.43 H new ATOM 0 HH21 ARG A 55 -2.357 -3.395 8.599 1.00 0.48 H new ATOM 0 HH22 ARG A 55 -1.042 -2.634 9.502 1.00 0.48 H new ATOM 586 N PHE A 56 3.322 -1.793 3.965 1.00 0.30 N ATOM 587 CA PHE A 56 4.288 -2.129 5.048 1.00 0.32 C ATOM 588 C PHE A 56 5.230 -0.949 5.294 1.00 0.33 C ATOM 589 O PHE A 56 5.821 -0.833 6.351 1.00 0.36 O ATOM 590 CB PHE A 56 5.085 -3.329 4.529 1.00 0.33 C ATOM 591 CG PHE A 56 4.243 -4.594 4.528 1.00 0.36 C ATOM 592 CD1 PHE A 56 2.899 -4.578 4.946 1.00 0.42 C ATOM 593 CD2 PHE A 56 4.823 -5.794 4.101 1.00 0.55 C ATOM 594 CE1 PHE A 56 2.150 -5.761 4.934 1.00 0.50 C ATOM 595 CE2 PHE A 56 4.070 -6.974 4.089 1.00 0.70 C ATOM 596 CZ PHE A 56 2.735 -6.958 4.505 1.00 0.62 C ATOM 0 H PHE A 56 3.680 -1.899 3.016 1.00 0.30 H new ATOM 0 HA PHE A 56 3.782 -2.350 5.988 1.00 0.32 H new ATOM 0 HB2 PHE A 56 5.438 -3.124 3.518 1.00 0.33 H new ATOM 0 HB3 PHE A 56 5.968 -3.478 5.151 1.00 0.33 H new ATOM 0 HD1 PHE A 56 2.446 -3.655 5.276 1.00 0.42 H new ATOM 0 HD2 PHE A 56 5.854 -5.810 3.780 1.00 0.55 H new ATOM 0 HE1 PHE A 56 1.119 -5.750 5.256 1.00 0.50 H new ATOM 0 HE2 PHE A 56 4.521 -7.898 3.758 1.00 0.70 H new ATOM 0 HZ PHE A 56 2.155 -7.869 4.495 1.00 0.62 H new ATOM 606 N LEU A 57 5.401 -0.089 4.316 1.00 0.34 N ATOM 607 CA LEU A 57 6.342 1.063 4.495 1.00 0.39 C ATOM 608 C LEU A 57 5.605 2.397 4.693 1.00 0.46 C ATOM 609 O LEU A 57 6.019 3.215 5.493 1.00 0.56 O ATOM 610 CB LEU A 57 7.171 1.103 3.208 1.00 0.43 C ATOM 611 CG LEU A 57 7.632 -0.312 2.835 1.00 0.36 C ATOM 612 CD1 LEU A 57 8.498 -0.255 1.573 1.00 0.46 C ATOM 613 CD2 LEU A 57 8.441 -0.916 3.989 1.00 0.42 C ATOM 0 H LEU A 57 4.934 -0.134 3.410 1.00 0.34 H new ATOM 0 HA LEU A 57 6.951 0.928 5.389 1.00 0.39 H new ATOM 0 HB2 LEU A 57 6.578 1.527 2.397 1.00 0.43 H new ATOM 0 HB3 LEU A 57 8.036 1.752 3.343 1.00 0.43 H new ATOM 0 HG LEU A 57 6.758 -0.936 2.646 1.00 0.36 H new ATOM 0 HD11 LEU A 57 8.824 -1.261 1.310 1.00 0.46 H new ATOM 0 HD12 LEU A 57 7.917 0.164 0.752 1.00 0.46 H new ATOM 0 HD13 LEU A 57 9.370 0.372 1.758 1.00 0.46 H new ATOM 0 HD21 LEU A 57 8.766 -1.921 3.719 1.00 0.42 H new ATOM 0 HD22 LEU A 57 9.314 -0.293 4.187 1.00 0.42 H new ATOM 0 HD23 LEU A 57 7.819 -0.964 4.883 1.00 0.42 H new ATOM 625 N THR A 58 4.543 2.644 3.963 1.00 0.46 N ATOM 626 CA THR A 58 3.829 3.953 4.114 1.00 0.56 C ATOM 627 C THR A 58 2.305 3.797 3.997 1.00 0.52 C ATOM 628 O THR A 58 1.564 4.719 4.283 1.00 0.59 O ATOM 629 CB THR A 58 4.360 4.810 2.965 1.00 0.65 C ATOM 630 OG1 THR A 58 5.780 4.865 3.027 1.00 1.04 O ATOM 631 CG2 THR A 58 3.786 6.219 3.074 1.00 0.91 C ATOM 0 H THR A 58 4.143 2.004 3.277 1.00 0.46 H new ATOM 0 HA THR A 58 4.007 4.391 5.096 1.00 0.56 H new ATOM 0 HB THR A 58 4.059 4.369 2.015 1.00 0.65 H new ATOM 0 HG1 THR A 58 6.119 5.413 2.289 1.00 1.04 H new ATOM 0 HG21 THR A 58 4.164 6.830 2.255 1.00 0.91 H new ATOM 0 HG22 THR A 58 2.698 6.174 3.021 1.00 0.91 H new ATOM 0 HG23 THR A 58 4.085 6.661 4.025 1.00 0.91 H new ATOM 639 N ILE A 59 1.837 2.648 3.580 1.00 0.45 N ATOM 640 CA ILE A 59 0.365 2.422 3.439 1.00 0.43 C ATOM 641 C ILE A 59 -0.293 3.514 2.577 1.00 0.45 C ATOM 642 O ILE A 59 -1.160 4.231 3.043 1.00 0.50 O ATOM 643 CB ILE A 59 -0.182 2.448 4.867 1.00 0.51 C ATOM 644 CG1 ILE A 59 0.511 1.370 5.700 1.00 0.48 C ATOM 645 CG2 ILE A 59 -1.691 2.176 4.843 1.00 0.57 C ATOM 646 CD1 ILE A 59 1.789 1.941 6.320 1.00 0.50 C ATOM 0 H ILE A 59 2.418 1.848 3.328 1.00 0.45 H new ATOM 0 HA ILE A 59 0.151 1.479 2.936 1.00 0.43 H new ATOM 0 HB ILE A 59 0.006 3.427 5.307 1.00 0.51 H new ATOM 0 HG12 ILE A 59 -0.158 1.016 6.484 1.00 0.48 H new ATOM 0 HG13 ILE A 59 0.751 0.511 5.074 1.00 0.48 H new ATOM 0 HG21 ILE A 59 -2.080 2.195 5.861 1.00 0.57 H new ATOM 0 HG22 ILE A 59 -2.189 2.943 4.250 1.00 0.57 H new ATOM 0 HG23 ILE A 59 -1.877 1.197 4.401 1.00 0.57 H new ATOM 0 HD11 ILE A 59 2.281 1.170 6.913 1.00 0.50 H new ATOM 0 HD12 ILE A 59 2.460 2.273 5.528 1.00 0.50 H new ATOM 0 HD13 ILE A 59 1.537 2.786 6.960 1.00 0.50 H new ATOM 658 N PRO A 60 0.129 3.594 1.337 1.00 0.43 N ATOM 659 CA PRO A 60 -0.426 4.560 0.378 1.00 0.46 C ATOM 660 C PRO A 60 -1.360 3.837 -0.621 1.00 0.39 C ATOM 661 O PRO A 60 -1.066 3.792 -1.802 1.00 0.41 O ATOM 662 CB PRO A 60 0.840 5.025 -0.344 1.00 0.55 C ATOM 663 CG PRO A 60 1.817 3.877 -0.210 1.00 0.53 C ATOM 664 CD PRO A 60 1.188 2.838 0.696 1.00 0.43 C ATOM 0 HA PRO A 60 -1.012 5.360 0.831 1.00 0.46 H new ATOM 0 HB2 PRO A 60 0.636 5.249 -1.391 1.00 0.55 H new ATOM 0 HB3 PRO A 60 1.238 5.935 0.105 1.00 0.55 H new ATOM 0 HG2 PRO A 60 2.039 3.448 -1.187 1.00 0.53 H new ATOM 0 HG3 PRO A 60 2.762 4.226 0.207 1.00 0.53 H new ATOM 0 HD2 PRO A 60 0.800 1.989 0.134 1.00 0.43 H new ATOM 0 HD3 PRO A 60 1.901 2.442 1.419 1.00 0.43 H new ATOM 672 N PRO A 61 -2.451 3.276 -0.137 1.00 0.38 N ATOM 673 CA PRO A 61 -3.375 2.554 -1.043 1.00 0.36 C ATOM 674 C PRO A 61 -4.079 3.540 -1.970 1.00 0.32 C ATOM 675 O PRO A 61 -4.957 4.277 -1.561 1.00 0.36 O ATOM 676 CB PRO A 61 -4.363 1.876 -0.102 1.00 0.41 C ATOM 677 CG PRO A 61 -4.328 2.697 1.140 1.00 0.45 C ATOM 678 CD PRO A 61 -2.932 3.259 1.250 1.00 0.45 C ATOM 0 HA PRO A 61 -2.869 1.837 -1.690 1.00 0.36 H new ATOM 0 HB2 PRO A 61 -5.365 1.850 -0.531 1.00 0.41 H new ATOM 0 HB3 PRO A 61 -4.075 0.844 0.098 1.00 0.41 H new ATOM 0 HG2 PRO A 61 -5.065 3.499 1.095 1.00 0.45 H new ATOM 0 HG3 PRO A 61 -4.570 2.090 2.012 1.00 0.45 H new ATOM 0 HD2 PRO A 61 -2.936 4.259 1.684 1.00 0.45 H new ATOM 0 HD3 PRO A 61 -2.300 2.638 1.885 1.00 0.45 H new ATOM 686 N THR A 62 -3.691 3.559 -3.217 1.00 0.33 N ATOM 687 CA THR A 62 -4.321 4.493 -4.194 1.00 0.34 C ATOM 688 C THR A 62 -5.841 4.261 -4.232 1.00 0.34 C ATOM 689 O THR A 62 -6.333 3.268 -3.732 1.00 0.35 O ATOM 690 CB THR A 62 -3.631 4.167 -5.535 1.00 0.38 C ATOM 691 OG1 THR A 62 -3.064 5.352 -6.068 1.00 0.48 O ATOM 692 CG2 THR A 62 -4.624 3.586 -6.545 1.00 0.38 C ATOM 0 H THR A 62 -2.959 2.963 -3.603 1.00 0.33 H new ATOM 0 HA THR A 62 -4.195 5.545 -3.940 1.00 0.34 H new ATOM 0 HB THR A 62 -2.856 3.423 -5.349 1.00 0.38 H new ATOM 0 HG1 THR A 62 -2.623 5.149 -6.919 1.00 0.48 H new ATOM 0 HG21 THR A 62 -4.107 3.367 -7.479 1.00 0.38 H new ATOM 0 HG22 THR A 62 -5.055 2.668 -6.145 1.00 0.38 H new ATOM 0 HG23 THR A 62 -5.419 4.309 -6.731 1.00 0.38 H new ATOM 700 N ALA A 63 -6.579 5.180 -4.808 1.00 0.38 N ATOM 701 CA ALA A 63 -8.072 5.044 -4.878 1.00 0.40 C ATOM 702 C ALA A 63 -8.483 3.653 -5.376 1.00 0.38 C ATOM 703 O ALA A 63 -9.338 3.007 -4.800 1.00 0.42 O ATOM 704 CB ALA A 63 -8.516 6.117 -5.873 1.00 0.47 C ATOM 0 H ALA A 63 -6.208 6.028 -5.237 1.00 0.38 H new ATOM 0 HA ALA A 63 -8.533 5.165 -3.898 1.00 0.40 H new ATOM 0 HB1 ALA A 63 -9.600 6.085 -5.983 1.00 0.47 H new ATOM 0 HB2 ALA A 63 -8.217 7.099 -5.507 1.00 0.47 H new ATOM 0 HB3 ALA A 63 -8.048 5.932 -6.840 1.00 0.47 H new ATOM 710 N GLY A 64 -7.886 3.200 -6.447 1.00 0.37 N ATOM 711 CA GLY A 64 -8.232 1.859 -7.010 1.00 0.38 C ATOM 712 C GLY A 64 -8.105 0.770 -5.940 1.00 0.35 C ATOM 713 O GLY A 64 -8.944 -0.091 -5.832 1.00 0.38 O ATOM 0 H GLY A 64 -7.166 3.707 -6.962 1.00 0.37 H new ATOM 0 HA2 GLY A 64 -9.250 1.875 -7.400 1.00 0.38 H new ATOM 0 HA3 GLY A 64 -7.573 1.630 -7.848 1.00 0.38 H new ATOM 717 N ILE A 65 -7.060 0.795 -5.158 1.00 0.34 N ATOM 718 CA ILE A 65 -6.875 -0.248 -4.101 1.00 0.34 C ATOM 719 C ILE A 65 -8.098 -0.309 -3.183 1.00 0.36 C ATOM 720 O ILE A 65 -8.540 -1.377 -2.803 1.00 0.40 O ATOM 721 CB ILE A 65 -5.626 0.187 -3.320 1.00 0.32 C ATOM 722 CG1 ILE A 65 -4.419 0.252 -4.265 1.00 0.33 C ATOM 723 CG2 ILE A 65 -5.335 -0.818 -2.199 1.00 0.35 C ATOM 724 CD1 ILE A 65 -4.328 -1.042 -5.079 1.00 0.37 C ATOM 0 H ILE A 65 -6.321 1.496 -5.204 1.00 0.34 H new ATOM 0 HA ILE A 65 -6.759 -1.245 -4.527 1.00 0.34 H new ATOM 0 HB ILE A 65 -5.805 1.172 -2.888 1.00 0.32 H new ATOM 0 HG12 ILE A 65 -4.515 1.107 -4.934 1.00 0.33 H new ATOM 0 HG13 ILE A 65 -3.504 0.397 -3.691 1.00 0.33 H new ATOM 0 HG21 ILE A 65 -4.448 -0.503 -1.649 1.00 0.35 H new ATOM 0 HG22 ILE A 65 -6.186 -0.862 -1.520 1.00 0.35 H new ATOM 0 HG23 ILE A 65 -5.164 -1.804 -2.630 1.00 0.35 H new ATOM 0 HD11 ILE A 65 -3.469 -0.991 -5.749 1.00 0.37 H new ATOM 0 HD12 ILE A 65 -4.212 -1.889 -4.403 1.00 0.37 H new ATOM 0 HD13 ILE A 65 -5.238 -1.168 -5.665 1.00 0.37 H new ATOM 736 N LEU A 66 -8.653 0.823 -2.832 1.00 0.38 N ATOM 737 CA LEU A 66 -9.850 0.822 -1.942 1.00 0.41 C ATOM 738 C LEU A 66 -11.111 0.544 -2.763 1.00 0.41 C ATOM 739 O LEU A 66 -11.940 -0.263 -2.384 1.00 0.46 O ATOM 740 CB LEU A 66 -9.902 2.225 -1.322 1.00 0.46 C ATOM 741 CG LEU A 66 -8.705 2.459 -0.378 1.00 0.50 C ATOM 742 CD1 LEU A 66 -8.290 1.155 0.314 1.00 0.60 C ATOM 743 CD2 LEU A 66 -7.519 3.004 -1.177 1.00 0.48 C ATOM 0 H LEU A 66 -8.329 1.745 -3.123 1.00 0.38 H new ATOM 0 HA LEU A 66 -9.792 0.050 -1.174 1.00 0.41 H new ATOM 0 HB2 LEU A 66 -9.898 2.976 -2.112 1.00 0.46 H new ATOM 0 HB3 LEU A 66 -10.834 2.348 -0.770 1.00 0.46 H new ATOM 0 HG LEU A 66 -9.005 3.179 0.383 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -7.444 1.347 0.974 1.00 0.60 H new ATOM 0 HD12 LEU A 66 -9.126 0.771 0.898 1.00 0.60 H new ATOM 0 HD13 LEU A 66 -8.004 0.419 -0.438 1.00 0.60 H new ATOM 0 HD21 LEU A 66 -6.674 3.169 -0.508 1.00 0.48 H new ATOM 0 HD22 LEU A 66 -7.238 2.285 -1.947 1.00 0.48 H new ATOM 0 HD23 LEU A 66 -7.799 3.947 -1.646 1.00 0.48 H new ATOM 755 N LYS A 67 -11.255 1.196 -3.889 1.00 0.39 N ATOM 756 CA LYS A 67 -12.457 0.960 -4.744 1.00 0.41 C ATOM 757 C LYS A 67 -12.492 -0.505 -5.181 1.00 0.40 C ATOM 758 O LYS A 67 -13.538 -1.122 -5.251 1.00 0.48 O ATOM 759 CB LYS A 67 -12.269 1.870 -5.957 1.00 0.43 C ATOM 760 CG LYS A 67 -13.007 3.190 -5.730 1.00 0.49 C ATOM 761 CD LYS A 67 -14.517 2.955 -5.818 1.00 0.60 C ATOM 762 CE LYS A 67 -14.917 2.718 -7.277 1.00 0.69 C ATOM 763 NZ LYS A 67 -16.312 2.201 -7.213 1.00 0.81 N ATOM 0 H LYS A 67 -10.592 1.881 -4.253 1.00 0.39 H new ATOM 0 HA LYS A 67 -13.390 1.171 -4.221 1.00 0.41 H new ATOM 0 HB2 LYS A 67 -11.208 2.059 -6.121 1.00 0.43 H new ATOM 0 HB3 LYS A 67 -12.648 1.380 -6.854 1.00 0.43 H new ATOM 0 HG2 LYS A 67 -12.749 3.600 -4.753 1.00 0.49 H new ATOM 0 HG3 LYS A 67 -12.699 3.924 -6.475 1.00 0.49 H new ATOM 0 HD2 LYS A 67 -14.797 2.095 -5.210 1.00 0.60 H new ATOM 0 HD3 LYS A 67 -15.053 3.816 -5.419 1.00 0.60 H new ATOM 0 HE2 LYS A 67 -14.864 3.640 -7.856 1.00 0.69 H new ATOM 0 HE3 LYS A 67 -14.252 2.001 -7.758 1.00 0.69 H new ATOM 0 HZ1 LYS A 67 -16.658 2.014 -8.176 1.00 0.81 H new ATOM 0 HZ2 LYS A 67 -16.331 1.320 -6.661 1.00 0.81 H new ATOM 0 HZ3 LYS A 67 -16.924 2.908 -6.757 1.00 0.81 H new ATOM 777 N ARG A 68 -11.342 -1.057 -5.466 1.00 0.37 N ATOM 778 CA ARG A 68 -11.263 -2.480 -5.894 1.00 0.39 C ATOM 779 C ARG A 68 -11.280 -3.392 -4.658 1.00 0.38 C ATOM 780 O ARG A 68 -11.615 -4.559 -4.738 1.00 0.43 O ATOM 781 CB ARG A 68 -9.941 -2.582 -6.679 1.00 0.39 C ATOM 782 CG ARG A 68 -8.776 -2.937 -5.750 1.00 0.41 C ATOM 783 CD ARG A 68 -7.456 -2.719 -6.496 1.00 0.43 C ATOM 784 NE ARG A 68 -7.295 -3.926 -7.354 1.00 0.46 N ATOM 785 CZ ARG A 68 -7.883 -3.983 -8.519 1.00 0.51 C ATOM 786 NH1 ARG A 68 -7.834 -2.959 -9.327 1.00 0.59 N ATOM 787 NH2 ARG A 68 -8.520 -5.065 -8.875 1.00 0.75 N ATOM 0 H ARG A 68 -10.445 -0.574 -5.419 1.00 0.37 H new ATOM 0 HA ARG A 68 -12.104 -2.794 -6.512 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -10.034 -3.339 -7.457 1.00 0.39 H new ATOM 0 HB3 ARG A 68 -9.737 -1.635 -7.179 1.00 0.39 H new ATOM 0 HG2 ARG A 68 -8.808 -2.318 -4.853 1.00 0.41 H new ATOM 0 HG3 ARG A 68 -8.857 -3.974 -5.424 1.00 0.41 H new ATOM 0 HD2 ARG A 68 -7.487 -1.809 -7.096 1.00 0.43 H new ATOM 0 HD3 ARG A 68 -6.623 -2.614 -5.801 1.00 0.43 H new ATOM 0 HE ARG A 68 -6.725 -4.708 -7.032 1.00 0.46 H new ATOM 0 HH11 ARG A 68 -7.336 -2.113 -9.049 1.00 0.59 H new ATOM 0 HH12 ARG A 68 -8.293 -3.005 -10.237 1.00 0.59 H new ATOM 0 HH21 ARG A 68 -8.558 -5.865 -8.244 1.00 0.75 H new ATOM 0 HH22 ARG A 68 -8.979 -5.110 -9.785 1.00 0.75 H new ATOM 801 N TRP A 69 -10.926 -2.850 -3.517 1.00 0.36 N ATOM 802 CA TRP A 69 -10.916 -3.640 -2.244 1.00 0.36 C ATOM 803 C TRP A 69 -12.225 -4.420 -2.060 1.00 0.39 C ATOM 804 O TRP A 69 -12.235 -5.499 -1.497 1.00 0.44 O ATOM 805 CB TRP A 69 -10.800 -2.575 -1.156 1.00 0.37 C ATOM 806 CG TRP A 69 -10.185 -3.146 0.079 1.00 0.36 C ATOM 807 CD1 TRP A 69 -10.745 -3.083 1.307 1.00 0.37 C ATOM 808 CD2 TRP A 69 -8.913 -3.845 0.243 1.00 0.36 C ATOM 809 NE1 TRP A 69 -9.904 -3.693 2.214 1.00 0.39 N ATOM 810 CE2 TRP A 69 -8.764 -4.178 1.611 1.00 0.37 C ATOM 811 CE3 TRP A 69 -7.882 -4.221 -0.644 1.00 0.41 C ATOM 812 CZ2 TRP A 69 -7.641 -4.853 2.083 1.00 0.39 C ATOM 813 CZ3 TRP A 69 -6.752 -4.901 -0.167 1.00 0.43 C ATOM 814 CH2 TRP A 69 -6.634 -5.214 1.194 1.00 0.42 C ATOM 0 H TRP A 69 -10.639 -1.877 -3.412 1.00 0.36 H new ATOM 0 HA TRP A 69 -10.112 -4.376 -2.226 1.00 0.36 H new ATOM 0 HB2 TRP A 69 -10.196 -1.743 -1.518 1.00 0.37 H new ATOM 0 HB3 TRP A 69 -11.787 -2.175 -0.925 1.00 0.37 H new ATOM 0 HD1 TRP A 69 -11.697 -2.629 1.540 1.00 0.37 H new ATOM 0 HE1 TRP A 69 -10.102 -3.775 3.211 1.00 0.39 H new ATOM 0 HE3 TRP A 69 -7.963 -3.984 -1.695 1.00 0.41 H new ATOM 0 HZ2 TRP A 69 -7.553 -5.094 3.132 1.00 0.39 H new ATOM 0 HZ3 TRP A 69 -5.968 -5.185 -0.853 1.00 0.43 H new ATOM 0 HH2 TRP A 69 -5.760 -5.736 1.553 1.00 0.42 H new ATOM 825 N GLY A 70 -13.329 -3.871 -2.510 1.00 0.42 N ATOM 826 CA GLY A 70 -14.642 -4.566 -2.340 1.00 0.48 C ATOM 827 C GLY A 70 -15.232 -4.952 -3.699 1.00 0.47 C ATOM 828 O GLY A 70 -16.436 -4.958 -3.875 1.00 0.54 O ATOM 0 H GLY A 70 -13.376 -2.971 -2.988 1.00 0.42 H new ATOM 0 HA2 GLY A 70 -14.510 -5.459 -1.729 1.00 0.48 H new ATOM 0 HA3 GLY A 70 -15.337 -3.916 -1.808 1.00 0.48 H new ATOM 832 N THR A 71 -14.403 -5.289 -4.654 1.00 0.45 N ATOM 833 CA THR A 71 -14.928 -5.690 -5.996 1.00 0.49 C ATOM 834 C THR A 71 -14.162 -6.912 -6.524 1.00 0.46 C ATOM 835 O THR A 71 -14.287 -7.279 -7.678 1.00 0.53 O ATOM 836 CB THR A 71 -14.727 -4.459 -6.897 1.00 0.58 C ATOM 837 OG1 THR A 71 -15.742 -4.438 -7.891 1.00 0.70 O ATOM 838 CG2 THR A 71 -13.352 -4.495 -7.578 1.00 0.64 C ATOM 0 H THR A 71 -13.387 -5.304 -4.564 1.00 0.45 H new ATOM 0 HA THR A 71 -15.978 -5.982 -5.962 1.00 0.49 H new ATOM 0 HB THR A 71 -14.783 -3.563 -6.279 1.00 0.58 H new ATOM 0 HG1 THR A 71 -15.620 -3.655 -8.467 1.00 0.70 H new ATOM 0 HG21 THR A 71 -13.235 -3.614 -8.209 1.00 0.64 H new ATOM 0 HG22 THR A 71 -12.570 -4.504 -6.819 1.00 0.64 H new ATOM 0 HG23 THR A 71 -13.273 -5.393 -8.191 1.00 0.64 H new ATOM 846 N ILE A 72 -13.377 -7.543 -5.686 1.00 0.45 N ATOM 847 CA ILE A 72 -12.606 -8.738 -6.135 1.00 0.46 C ATOM 848 C ILE A 72 -13.300 -10.024 -5.658 1.00 0.45 C ATOM 849 O ILE A 72 -14.488 -10.197 -5.858 1.00 0.50 O ATOM 850 CB ILE A 72 -11.213 -8.573 -5.509 1.00 0.47 C ATOM 851 CG1 ILE A 72 -11.330 -8.499 -3.983 1.00 0.45 C ATOM 852 CG2 ILE A 72 -10.564 -7.287 -6.031 1.00 0.52 C ATOM 853 CD1 ILE A 72 -10.014 -8.957 -3.350 1.00 0.46 C ATOM 0 H ILE A 72 -13.238 -7.280 -4.710 1.00 0.45 H new ATOM 0 HA ILE A 72 -12.540 -8.815 -7.220 1.00 0.46 H new ATOM 0 HB ILE A 72 -10.598 -9.431 -5.781 1.00 0.47 H new ATOM 0 HG12 ILE A 72 -11.560 -7.479 -3.674 1.00 0.45 H new ATOM 0 HG13 ILE A 72 -12.150 -9.129 -3.639 1.00 0.45 H new ATOM 0 HG21 ILE A 72 -9.576 -7.172 -5.586 1.00 0.52 H new ATOM 0 HG22 ILE A 72 -10.469 -7.342 -7.116 1.00 0.52 H new ATOM 0 HG23 ILE A 72 -11.185 -6.432 -5.764 1.00 0.52 H new ATOM 0 HD11 ILE A 72 -10.095 -8.905 -2.264 1.00 0.46 H new ATOM 0 HD12 ILE A 72 -9.804 -9.984 -3.650 1.00 0.46 H new ATOM 0 HD13 ILE A 72 -9.204 -8.309 -3.685 1.00 0.46 H new ATOM 865 N LYS A 73 -12.575 -10.928 -5.044 1.00 0.46 N ATOM 866 CA LYS A 73 -13.193 -12.203 -4.571 1.00 0.46 C ATOM 867 C LYS A 73 -13.068 -12.327 -3.057 1.00 0.43 C ATOM 868 O LYS A 73 -13.900 -12.932 -2.409 1.00 0.43 O ATOM 869 CB LYS A 73 -12.374 -13.297 -5.265 1.00 0.49 C ATOM 870 CG LYS A 73 -12.669 -14.666 -4.648 1.00 0.51 C ATOM 871 CD LYS A 73 -14.131 -15.044 -4.892 1.00 0.53 C ATOM 872 CE LYS A 73 -14.256 -15.844 -6.191 1.00 0.50 C ATOM 873 NZ LYS A 73 -14.762 -14.873 -7.203 1.00 0.49 N ATOM 0 H LYS A 73 -11.578 -10.835 -4.850 1.00 0.46 H new ATOM 0 HA LYS A 73 -14.257 -12.263 -4.802 1.00 0.46 H new ATOM 0 HB2 LYS A 73 -12.608 -13.314 -6.329 1.00 0.49 H new ATOM 0 HB3 LYS A 73 -11.311 -13.074 -5.176 1.00 0.49 H new ATOM 0 HG2 LYS A 73 -12.012 -15.419 -5.083 1.00 0.51 H new ATOM 0 HG3 LYS A 73 -12.464 -14.644 -3.578 1.00 0.51 H new ATOM 0 HD2 LYS A 73 -14.507 -15.633 -4.055 1.00 0.53 H new ATOM 0 HD3 LYS A 73 -14.743 -14.144 -4.949 1.00 0.53 H new ATOM 0 HE2 LYS A 73 -13.294 -16.260 -6.491 1.00 0.50 H new ATOM 0 HE3 LYS A 73 -14.943 -16.682 -6.072 1.00 0.50 H new ATOM 0 HZ1 LYS A 73 -15.784 -15.013 -7.338 1.00 0.49 H new ATOM 0 HZ2 LYS A 73 -14.587 -13.903 -6.871 1.00 0.49 H new ATOM 0 HZ3 LYS A 73 -14.269 -15.024 -8.106 1.00 0.49 H new ATOM 887 N LYS A 74 -12.012 -11.785 -2.509 1.00 0.43 N ATOM 888 CA LYS A 74 -11.751 -11.869 -1.038 1.00 0.43 C ATOM 889 C LYS A 74 -11.358 -13.299 -0.663 1.00 0.42 C ATOM 890 O LYS A 74 -10.415 -13.511 0.073 1.00 0.44 O ATOM 891 CB LYS A 74 -13.035 -11.455 -0.301 1.00 0.44 C ATOM 892 CG LYS A 74 -13.673 -10.215 -0.939 1.00 0.45 C ATOM 893 CD LYS A 74 -12.622 -9.146 -1.228 1.00 0.48 C ATOM 894 CE LYS A 74 -12.326 -8.384 0.057 1.00 0.51 C ATOM 895 NZ LYS A 74 -13.438 -7.400 0.187 1.00 0.45 N ATOM 0 H LYS A 74 -11.301 -11.274 -3.032 1.00 0.43 H new ATOM 0 HA LYS A 74 -10.932 -11.206 -0.757 1.00 0.43 H new ATOM 0 HB2 LYS A 74 -13.747 -12.280 -0.316 1.00 0.44 H new ATOM 0 HB3 LYS A 74 -12.806 -11.251 0.745 1.00 0.44 H new ATOM 0 HG2 LYS A 74 -14.175 -10.496 -1.865 1.00 0.45 H new ATOM 0 HG3 LYS A 74 -14.435 -9.810 -0.273 1.00 0.45 H new ATOM 0 HD2 LYS A 74 -11.711 -9.607 -1.611 1.00 0.48 H new ATOM 0 HD3 LYS A 74 -12.981 -8.462 -1.997 1.00 0.48 H new ATOM 0 HE2 LYS A 74 -12.291 -9.056 0.915 1.00 0.51 H new ATOM 0 HE3 LYS A 74 -11.360 -7.883 0.005 1.00 0.51 H new ATOM 0 HZ1 LYS A 74 -13.651 -7.248 1.194 1.00 0.45 H new ATOM 0 HZ2 LYS A 74 -13.156 -6.498 -0.248 1.00 0.45 H new ATOM 0 HZ3 LYS A 74 -14.284 -7.767 -0.294 1.00 0.45 H new ATOM 909 N SER A 75 -12.061 -14.280 -1.176 1.00 0.43 N ATOM 910 CA SER A 75 -11.717 -15.696 -0.859 1.00 0.44 C ATOM 911 C SER A 75 -10.270 -15.959 -1.259 1.00 0.43 C ATOM 912 O SER A 75 -9.530 -16.616 -0.555 1.00 0.48 O ATOM 913 CB SER A 75 -12.674 -16.542 -1.700 1.00 0.47 C ATOM 914 OG SER A 75 -13.113 -17.656 -0.934 1.00 0.62 O ATOM 0 H SER A 75 -12.858 -14.158 -1.801 1.00 0.43 H new ATOM 0 HA SER A 75 -11.813 -15.928 0.202 1.00 0.44 H new ATOM 0 HB2 SER A 75 -13.528 -15.942 -2.013 1.00 0.47 H new ATOM 0 HB3 SER A 75 -12.175 -16.884 -2.607 1.00 0.47 H new ATOM 0 HG SER A 75 -13.728 -18.199 -1.470 1.00 0.62 H new ATOM 920 N LYS A 76 -9.865 -15.424 -2.380 1.00 0.40 N ATOM 921 CA LYS A 76 -8.462 -15.609 -2.840 1.00 0.40 C ATOM 922 C LYS A 76 -7.533 -14.696 -2.036 1.00 0.38 C ATOM 923 O LYS A 76 -6.479 -15.108 -1.592 1.00 0.43 O ATOM 924 CB LYS A 76 -8.472 -15.209 -4.313 1.00 0.40 C ATOM 925 CG LYS A 76 -7.192 -15.709 -4.984 1.00 0.46 C ATOM 926 CD LYS A 76 -7.204 -17.239 -5.040 1.00 0.56 C ATOM 927 CE LYS A 76 -6.307 -17.799 -3.933 1.00 0.56 C ATOM 928 NZ LYS A 76 -4.952 -17.886 -4.544 1.00 0.50 N ATOM 0 H LYS A 76 -10.451 -14.864 -2.999 1.00 0.40 H new ATOM 0 HA LYS A 76 -8.106 -16.630 -2.704 1.00 0.40 H new ATOM 0 HB2 LYS A 76 -9.345 -15.632 -4.810 1.00 0.40 H new ATOM 0 HB3 LYS A 76 -8.545 -14.125 -4.406 1.00 0.40 H new ATOM 0 HG2 LYS A 76 -7.113 -15.299 -5.991 1.00 0.46 H new ATOM 0 HG3 LYS A 76 -6.320 -15.362 -4.430 1.00 0.46 H new ATOM 0 HD2 LYS A 76 -8.222 -17.610 -4.920 1.00 0.56 H new ATOM 0 HD3 LYS A 76 -6.853 -17.580 -6.014 1.00 0.56 H new ATOM 0 HE2 LYS A 76 -6.305 -17.148 -3.059 1.00 0.56 H new ATOM 0 HE3 LYS A 76 -6.654 -18.777 -3.601 1.00 0.56 H new ATOM 0 HZ1 LYS A 76 -4.323 -18.430 -3.919 1.00 0.50 H new ATOM 0 HZ2 LYS A 76 -5.017 -18.361 -5.467 1.00 0.50 H new ATOM 0 HZ3 LYS A 76 -4.568 -16.928 -4.674 1.00 0.50 H new ATOM 942 N ALA A 77 -7.927 -13.460 -1.841 1.00 0.37 N ATOM 943 CA ALA A 77 -7.079 -12.509 -1.057 1.00 0.37 C ATOM 944 C ALA A 77 -6.896 -13.033 0.366 1.00 0.38 C ATOM 945 O ALA A 77 -5.789 -13.163 0.854 1.00 0.40 O ATOM 946 CB ALA A 77 -7.858 -11.193 -1.035 1.00 0.38 C ATOM 0 H ALA A 77 -8.801 -13.069 -2.192 1.00 0.37 H new ATOM 0 HA ALA A 77 -6.088 -12.386 -1.494 1.00 0.37 H new ATOM 0 HB1 ALA A 77 -7.295 -10.446 -0.475 1.00 0.38 H new ATOM 0 HB2 ALA A 77 -8.010 -10.843 -2.056 1.00 0.38 H new ATOM 0 HB3 ALA A 77 -8.825 -11.351 -0.558 1.00 0.38 H new ATOM 952 N ILE A 78 -7.981 -13.335 1.032 1.00 0.40 N ATOM 953 CA ILE A 78 -7.892 -13.856 2.426 1.00 0.43 C ATOM 954 C ILE A 78 -7.056 -15.139 2.441 1.00 0.46 C ATOM 955 O ILE A 78 -6.201 -15.315 3.289 1.00 0.51 O ATOM 956 CB ILE A 78 -9.342 -14.118 2.846 1.00 0.43 C ATOM 957 CG1 ILE A 78 -10.090 -12.781 2.904 1.00 0.43 C ATOM 958 CG2 ILE A 78 -9.371 -14.775 4.228 1.00 0.50 C ATOM 959 CD1 ILE A 78 -11.579 -12.997 2.616 1.00 0.42 C ATOM 0 H ILE A 78 -8.929 -13.242 0.667 1.00 0.40 H new ATOM 0 HA ILE A 78 -7.407 -13.161 3.112 1.00 0.43 H new ATOM 0 HB ILE A 78 -9.818 -14.782 2.124 1.00 0.43 H new ATOM 0 HG12 ILE A 78 -9.964 -12.327 3.887 1.00 0.43 H new ATOM 0 HG13 ILE A 78 -9.668 -12.088 2.177 1.00 0.43 H new ATOM 0 HG21 ILE A 78 -10.404 -14.959 4.522 1.00 0.50 H new ATOM 0 HG22 ILE A 78 -8.830 -15.721 4.193 1.00 0.50 H new ATOM 0 HG23 ILE A 78 -8.899 -14.114 4.955 1.00 0.50 H new ATOM 0 HD11 ILE A 78 -12.101 -12.041 2.660 1.00 0.42 H new ATOM 0 HD12 ILE A 78 -11.698 -13.430 1.623 1.00 0.42 H new ATOM 0 HD13 ILE A 78 -11.999 -13.674 3.360 1.00 0.42 H new ATOM 971 N ASN A 79 -7.269 -16.020 1.493 1.00 0.44 N ATOM 972 CA ASN A 79 -6.451 -17.268 1.447 1.00 0.46 C ATOM 973 C ASN A 79 -4.997 -16.884 1.180 1.00 0.44 C ATOM 974 O ASN A 79 -4.076 -17.478 1.708 1.00 0.47 O ATOM 975 CB ASN A 79 -7.011 -18.091 0.286 1.00 0.48 C ATOM 976 CG ASN A 79 -8.025 -19.104 0.822 1.00 0.55 C ATOM 977 OD1 ASN A 79 -7.701 -19.915 1.667 1.00 0.66 O ATOM 978 ND2 ASN A 79 -9.247 -19.092 0.366 1.00 0.61 N ATOM 0 H ASN A 79 -7.968 -15.928 0.756 1.00 0.44 H new ATOM 0 HA ASN A 79 -6.490 -17.834 2.378 1.00 0.46 H new ATOM 0 HB2 ASN A 79 -7.487 -17.435 -0.443 1.00 0.48 H new ATOM 0 HB3 ASN A 79 -6.202 -18.608 -0.231 1.00 0.48 H new ATOM 0 HD21 ASN A 79 -9.930 -19.763 0.719 1.00 0.61 H new ATOM 0 HD22 ASN A 79 -9.520 -18.412 -0.343 1.00 0.61 H new ATOM 985 N VAL A 80 -4.797 -15.871 0.373 1.00 0.43 N ATOM 986 CA VAL A 80 -3.414 -15.405 0.070 1.00 0.42 C ATOM 987 C VAL A 80 -2.782 -14.864 1.355 1.00 0.43 C ATOM 988 O VAL A 80 -1.693 -15.253 1.733 1.00 0.46 O ATOM 989 CB VAL A 80 -3.590 -14.296 -0.981 1.00 0.42 C ATOM 990 CG1 VAL A 80 -2.679 -13.109 -0.664 1.00 0.51 C ATOM 991 CG2 VAL A 80 -3.236 -14.848 -2.364 1.00 0.52 C ATOM 0 H VAL A 80 -5.539 -15.346 -0.090 1.00 0.43 H new ATOM 0 HA VAL A 80 -2.762 -16.195 -0.303 1.00 0.42 H new ATOM 0 HB VAL A 80 -4.627 -13.959 -0.967 1.00 0.42 H new ATOM 0 HG11 VAL A 80 -2.816 -12.334 -1.418 1.00 0.51 H new ATOM 0 HG12 VAL A 80 -2.931 -12.709 0.318 1.00 0.51 H new ATOM 0 HG13 VAL A 80 -1.640 -13.437 -0.666 1.00 0.51 H new ATOM 0 HG21 VAL A 80 -3.360 -14.064 -3.111 1.00 0.52 H new ATOM 0 HG22 VAL A 80 -2.201 -15.190 -2.365 1.00 0.52 H new ATOM 0 HG23 VAL A 80 -3.895 -15.683 -2.602 1.00 0.52 H new ATOM 1001 N LEU A 81 -3.472 -13.976 2.032 1.00 0.43 N ATOM 1002 CA LEU A 81 -2.927 -13.412 3.304 1.00 0.46 C ATOM 1003 C LEU A 81 -2.645 -14.549 4.284 1.00 0.49 C ATOM 1004 O LEU A 81 -1.668 -14.528 5.009 1.00 0.49 O ATOM 1005 CB LEU A 81 -4.019 -12.484 3.838 1.00 0.48 C ATOM 1006 CG LEU A 81 -3.547 -11.030 3.723 1.00 0.55 C ATOM 1007 CD1 LEU A 81 -4.126 -10.401 2.454 1.00 0.89 C ATOM 1008 CD2 LEU A 81 -4.021 -10.239 4.945 1.00 0.65 C ATOM 0 H LEU A 81 -4.387 -13.619 1.757 1.00 0.43 H new ATOM 0 HA LEU A 81 -1.991 -12.873 3.158 1.00 0.46 H new ATOM 0 HB2 LEU A 81 -4.941 -12.625 3.274 1.00 0.48 H new ATOM 0 HB3 LEU A 81 -4.242 -12.725 4.877 1.00 0.48 H new ATOM 0 HG LEU A 81 -2.458 -11.007 3.675 1.00 0.55 H new ATOM 0 HD11 LEU A 81 -3.789 -9.367 2.374 1.00 0.89 H new ATOM 0 HD12 LEU A 81 -3.787 -10.961 1.583 1.00 0.89 H new ATOM 0 HD13 LEU A 81 -5.215 -10.425 2.500 1.00 0.89 H new ATOM 0 HD21 LEU A 81 -3.685 -9.205 4.862 1.00 0.65 H new ATOM 0 HD22 LEU A 81 -5.110 -10.264 4.995 1.00 0.65 H new ATOM 0 HD23 LEU A 81 -3.606 -10.684 5.850 1.00 0.65 H new ATOM 1020 N ARG A 82 -3.479 -15.556 4.287 1.00 0.54 N ATOM 1021 CA ARG A 82 -3.243 -16.714 5.193 1.00 0.58 C ATOM 1022 C ARG A 82 -1.981 -17.440 4.726 1.00 0.54 C ATOM 1023 O ARG A 82 -1.149 -17.847 5.518 1.00 0.53 O ATOM 1024 CB ARG A 82 -4.475 -17.608 5.038 1.00 0.65 C ATOM 1025 CG ARG A 82 -4.763 -18.318 6.363 1.00 0.75 C ATOM 1026 CD ARG A 82 -5.926 -17.623 7.078 1.00 0.81 C ATOM 1027 NE ARG A 82 -6.886 -18.714 7.403 1.00 0.91 N ATOM 1028 CZ ARG A 82 -7.602 -19.257 6.456 1.00 1.20 C ATOM 1029 NH1 ARG A 82 -8.214 -18.503 5.584 1.00 1.56 N ATOM 1030 NH2 ARG A 82 -7.706 -20.556 6.381 1.00 1.44 N ATOM 0 H ARG A 82 -4.311 -15.625 3.702 1.00 0.54 H new ATOM 0 HA ARG A 82 -3.101 -16.425 6.234 1.00 0.58 H new ATOM 0 HB2 ARG A 82 -5.336 -17.010 4.740 1.00 0.65 H new ATOM 0 HB3 ARG A 82 -4.308 -18.342 4.249 1.00 0.65 H new ATOM 0 HG2 ARG A 82 -5.009 -19.364 6.180 1.00 0.75 H new ATOM 0 HG3 ARG A 82 -3.875 -18.305 6.995 1.00 0.75 H new ATOM 0 HD2 ARG A 82 -5.587 -17.114 7.980 1.00 0.81 H new ATOM 0 HD3 ARG A 82 -6.387 -16.869 6.440 1.00 0.81 H new ATOM 0 HE ARG A 82 -6.984 -19.037 8.366 1.00 0.91 H new ATOM 0 HH11 ARG A 82 -8.133 -17.488 5.642 1.00 1.56 H new ATOM 0 HH12 ARG A 82 -8.773 -18.929 4.845 1.00 1.56 H new ATOM 0 HH21 ARG A 82 -7.228 -21.146 7.062 1.00 1.44 H new ATOM 0 HH22 ARG A 82 -8.265 -20.981 5.641 1.00 1.44 H new ATOM 1044 N GLY A 83 -1.829 -17.576 3.430 1.00 0.54 N ATOM 1045 CA GLY A 83 -0.619 -18.245 2.877 1.00 0.53 C ATOM 1046 C GLY A 83 0.601 -17.391 3.214 1.00 0.46 C ATOM 1047 O GLY A 83 1.657 -17.902 3.539 1.00 0.45 O ATOM 0 H GLY A 83 -2.497 -17.249 2.732 1.00 0.54 H new ATOM 0 HA2 GLY A 83 -0.511 -19.244 3.300 1.00 0.53 H new ATOM 0 HA3 GLY A 83 -0.712 -18.364 1.798 1.00 0.53 H new ATOM 1051 N PHE A 84 0.455 -16.088 3.158 1.00 0.46 N ATOM 1052 CA PHE A 84 1.598 -15.190 3.498 1.00 0.42 C ATOM 1053 C PHE A 84 2.021 -15.458 4.942 1.00 0.39 C ATOM 1054 O PHE A 84 3.193 -15.464 5.267 1.00 0.37 O ATOM 1055 CB PHE A 84 1.060 -13.761 3.351 1.00 0.47 C ATOM 1056 CG PHE A 84 1.183 -13.288 1.924 1.00 0.47 C ATOM 1057 CD1 PHE A 84 2.342 -13.552 1.184 1.00 0.47 C ATOM 1058 CD2 PHE A 84 0.132 -12.569 1.344 1.00 0.68 C ATOM 1059 CE1 PHE A 84 2.444 -13.099 -0.133 1.00 0.55 C ATOM 1060 CE2 PHE A 84 0.239 -12.115 0.030 1.00 0.71 C ATOM 1061 CZ PHE A 84 1.392 -12.381 -0.708 1.00 0.58 C ATOM 0 H PHE A 84 -0.406 -15.611 2.892 1.00 0.46 H new ATOM 0 HA PHE A 84 2.465 -15.350 2.857 1.00 0.42 H new ATOM 0 HB2 PHE A 84 0.016 -13.727 3.662 1.00 0.47 H new ATOM 0 HB3 PHE A 84 1.611 -13.090 4.010 1.00 0.47 H new ATOM 0 HD1 PHE A 84 3.155 -14.105 1.631 1.00 0.47 H new ATOM 0 HD2 PHE A 84 -0.762 -12.366 1.914 1.00 0.68 H new ATOM 0 HE1 PHE A 84 3.336 -13.304 -0.707 1.00 0.55 H new ATOM 0 HE2 PHE A 84 -0.571 -11.557 -0.416 1.00 0.71 H new ATOM 0 HZ PHE A 84 1.472 -12.031 -1.727 1.00 0.58 H new ATOM 1071 N ARG A 85 1.063 -15.701 5.804 1.00 0.43 N ATOM 1072 CA ARG A 85 1.389 -15.996 7.229 1.00 0.42 C ATOM 1073 C ARG A 85 2.236 -17.266 7.294 1.00 0.38 C ATOM 1074 O ARG A 85 3.257 -17.310 7.954 1.00 0.36 O ATOM 1075 CB ARG A 85 0.039 -16.211 7.916 1.00 0.48 C ATOM 1076 CG ARG A 85 0.159 -15.869 9.405 1.00 0.53 C ATOM 1077 CD ARG A 85 -0.149 -17.111 10.245 1.00 0.58 C ATOM 1078 NE ARG A 85 1.182 -17.702 10.558 1.00 0.60 N ATOM 1079 CZ ARG A 85 1.932 -17.171 11.484 1.00 0.51 C ATOM 1080 NH1 ARG A 85 1.411 -16.832 12.632 1.00 0.58 N ATOM 1081 NH2 ARG A 85 3.203 -16.978 11.263 1.00 0.74 N ATOM 0 H ARG A 85 0.068 -15.707 5.579 1.00 0.43 H new ATOM 0 HA ARG A 85 1.954 -15.196 7.708 1.00 0.42 H new ATOM 0 HB2 ARG A 85 -0.722 -15.585 7.449 1.00 0.48 H new ATOM 0 HB3 ARG A 85 -0.281 -17.246 7.795 1.00 0.48 H new ATOM 0 HG2 ARG A 85 1.164 -15.509 9.626 1.00 0.53 H new ATOM 0 HG3 ARG A 85 -0.531 -15.065 9.660 1.00 0.53 H new ATOM 0 HD2 ARG A 85 -0.689 -16.849 11.155 1.00 0.58 H new ATOM 0 HD3 ARG A 85 -0.774 -17.815 9.695 1.00 0.58 H new ATOM 0 HE ARG A 85 1.507 -18.523 10.048 1.00 0.60 H new ATOM 0 HH11 ARG A 85 0.417 -16.982 12.805 1.00 0.58 H new ATOM 0 HH12 ARG A 85 1.998 -16.417 13.356 1.00 0.58 H new ATOM 0 HH21 ARG A 85 3.611 -17.242 10.366 1.00 0.74 H new ATOM 0 HH22 ARG A 85 3.789 -16.563 11.987 1.00 0.74 H new ATOM 1095 N LYS A 86 1.826 -18.293 6.594 1.00 0.40 N ATOM 1096 CA LYS A 86 2.616 -19.560 6.590 1.00 0.38 C ATOM 1097 C LYS A 86 3.958 -19.313 5.901 1.00 0.35 C ATOM 1098 O LYS A 86 4.958 -19.925 6.228 1.00 0.37 O ATOM 1099 CB LYS A 86 1.774 -20.559 5.795 1.00 0.45 C ATOM 1100 CG LYS A 86 1.062 -21.511 6.760 1.00 0.50 C ATOM 1101 CD LYS A 86 -0.055 -20.761 7.493 1.00 0.53 C ATOM 1102 CE LYS A 86 0.392 -20.440 8.922 1.00 0.46 C ATOM 1103 NZ LYS A 86 0.297 -21.733 9.655 1.00 0.50 N ATOM 0 H LYS A 86 0.979 -18.308 6.026 1.00 0.40 H new ATOM 0 HA LYS A 86 2.825 -19.930 7.594 1.00 0.38 H new ATOM 0 HB2 LYS A 86 1.043 -20.029 5.185 1.00 0.45 H new ATOM 0 HB3 LYS A 86 2.409 -21.124 5.113 1.00 0.45 H new ATOM 0 HG2 LYS A 86 0.647 -22.357 6.212 1.00 0.50 H new ATOM 0 HG3 LYS A 86 1.774 -21.916 7.479 1.00 0.50 H new ATOM 0 HD2 LYS A 86 -0.298 -19.841 6.962 1.00 0.53 H new ATOM 0 HD3 LYS A 86 -0.961 -21.366 7.512 1.00 0.53 H new ATOM 0 HE2 LYS A 86 1.410 -20.050 8.939 1.00 0.46 H new ATOM 0 HE3 LYS A 86 -0.247 -19.682 9.375 1.00 0.46 H new ATOM 0 HZ1 LYS A 86 -0.263 -21.601 10.521 1.00 0.50 H new ATOM 0 HZ2 LYS A 86 -0.164 -22.442 9.050 1.00 0.50 H new ATOM 0 HZ3 LYS A 86 1.252 -22.060 9.906 1.00 0.50 H new ATOM 1117 N GLU A 87 3.984 -18.404 4.958 1.00 0.36 N ATOM 1118 CA GLU A 87 5.257 -18.092 4.247 1.00 0.34 C ATOM 1119 C GLU A 87 6.183 -17.314 5.183 1.00 0.31 C ATOM 1120 O GLU A 87 7.380 -17.534 5.211 1.00 0.33 O ATOM 1121 CB GLU A 87 4.849 -17.229 3.052 1.00 0.36 C ATOM 1122 CG GLU A 87 4.710 -18.109 1.809 1.00 0.45 C ATOM 1123 CD GLU A 87 4.558 -17.224 0.571 1.00 0.42 C ATOM 1124 OE1 GLU A 87 3.620 -16.445 0.535 1.00 0.49 O ATOM 1125 OE2 GLU A 87 5.383 -17.341 -0.321 1.00 0.44 O ATOM 0 H GLU A 87 3.175 -17.864 4.651 1.00 0.36 H new ATOM 0 HA GLU A 87 5.791 -18.987 3.928 1.00 0.34 H new ATOM 0 HB2 GLU A 87 3.906 -16.724 3.260 1.00 0.36 H new ATOM 0 HB3 GLU A 87 5.595 -16.453 2.879 1.00 0.36 H new ATOM 0 HG2 GLU A 87 5.585 -18.751 1.705 1.00 0.45 H new ATOM 0 HG3 GLU A 87 3.845 -18.764 1.909 1.00 0.45 H new ATOM 1132 N ILE A 88 5.630 -16.413 5.957 1.00 0.31 N ATOM 1133 CA ILE A 88 6.466 -15.623 6.906 1.00 0.31 C ATOM 1134 C ILE A 88 6.928 -16.535 8.050 1.00 0.30 C ATOM 1135 O ILE A 88 8.057 -16.455 8.504 1.00 0.32 O ATOM 1136 CB ILE A 88 5.549 -14.477 7.383 1.00 0.35 C ATOM 1137 CG1 ILE A 88 6.349 -13.172 7.420 1.00 0.41 C ATOM 1138 CG2 ILE A 88 4.975 -14.754 8.780 1.00 0.38 C ATOM 1139 CD1 ILE A 88 5.478 -12.027 6.900 1.00 0.50 C ATOM 0 H ILE A 88 4.634 -16.192 5.971 1.00 0.31 H new ATOM 0 HA ILE A 88 7.374 -15.217 6.461 1.00 0.31 H new ATOM 0 HB ILE A 88 4.717 -14.398 6.683 1.00 0.35 H new ATOM 0 HG12 ILE A 88 6.676 -12.962 8.438 1.00 0.41 H new ATOM 0 HG13 ILE A 88 7.248 -13.266 6.810 1.00 0.41 H new ATOM 0 HG21 ILE A 88 4.335 -13.925 9.081 1.00 0.38 H new ATOM 0 HG22 ILE A 88 4.391 -15.674 8.758 1.00 0.38 H new ATOM 0 HG23 ILE A 88 5.791 -14.860 9.494 1.00 0.38 H new ATOM 0 HD11 ILE A 88 6.046 -11.097 6.926 1.00 0.50 H new ATOM 0 HD12 ILE A 88 5.174 -12.238 5.875 1.00 0.50 H new ATOM 0 HD13 ILE A 88 4.593 -11.929 7.528 1.00 0.50 H new ATOM 1151 N GLY A 89 6.070 -17.423 8.494 1.00 0.31 N ATOM 1152 CA GLY A 89 6.458 -18.363 9.584 1.00 0.32 C ATOM 1153 C GLY A 89 7.587 -19.245 9.065 1.00 0.30 C ATOM 1154 O GLY A 89 8.490 -19.616 9.792 1.00 0.32 O ATOM 0 H GLY A 89 5.118 -17.534 8.146 1.00 0.31 H new ATOM 0 HA2 GLY A 89 6.781 -17.811 10.467 1.00 0.32 H new ATOM 0 HA3 GLY A 89 5.605 -18.972 9.883 1.00 0.32 H new ATOM 1158 N ARG A 90 7.546 -19.564 7.798 1.00 0.29 N ATOM 1159 CA ARG A 90 8.619 -20.402 7.199 1.00 0.30 C ATOM 1160 C ARG A 90 9.913 -19.591 7.132 1.00 0.27 C ATOM 1161 O ARG A 90 10.993 -20.113 7.346 1.00 0.28 O ATOM 1162 CB ARG A 90 8.128 -20.733 5.790 1.00 0.33 C ATOM 1163 CG ARG A 90 7.494 -22.123 5.780 1.00 0.45 C ATOM 1164 CD ARG A 90 7.036 -22.455 4.360 1.00 0.59 C ATOM 1165 NE ARG A 90 7.293 -23.914 4.203 1.00 0.92 N ATOM 1166 CZ ARG A 90 6.294 -24.740 4.051 1.00 1.23 C ATOM 1167 NH1 ARG A 90 5.475 -24.965 5.042 1.00 1.80 N ATOM 1168 NH2 ARG A 90 6.116 -25.343 2.907 1.00 1.43 N ATOM 0 H ARG A 90 6.811 -19.277 7.152 1.00 0.29 H new ATOM 0 HA ARG A 90 8.821 -21.304 7.778 1.00 0.30 H new ATOM 0 HB2 ARG A 90 7.402 -19.989 5.463 1.00 0.33 H new ATOM 0 HB3 ARG A 90 8.960 -20.697 5.087 1.00 0.33 H new ATOM 0 HG2 ARG A 90 8.212 -22.866 6.127 1.00 0.45 H new ATOM 0 HG3 ARG A 90 6.647 -22.155 6.465 1.00 0.45 H new ATOM 0 HD2 ARG A 90 5.980 -22.223 4.222 1.00 0.59 H new ATOM 0 HD3 ARG A 90 7.589 -21.875 3.621 1.00 0.59 H new ATOM 0 HE ARG A 90 8.250 -24.267 4.214 1.00 0.92 H new ATOM 0 HH11 ARG A 90 5.615 -24.495 5.936 1.00 1.80 H new ATOM 0 HH12 ARG A 90 4.695 -25.611 4.922 1.00 1.80 H new ATOM 0 HH21 ARG A 90 6.757 -25.168 2.133 1.00 1.43 H new ATOM 0 HH22 ARG A 90 5.336 -25.989 2.787 1.00 1.43 H new ATOM 1182 N MET A 91 9.803 -18.308 6.861 1.00 0.27 N ATOM 1183 CA MET A 91 11.019 -17.447 6.797 1.00 0.26 C ATOM 1184 C MET A 91 11.720 -17.515 8.143 1.00 0.25 C ATOM 1185 O MET A 91 12.931 -17.573 8.228 1.00 0.27 O ATOM 1186 CB MET A 91 10.504 -16.034 6.514 1.00 0.29 C ATOM 1187 CG MET A 91 11.467 -15.319 5.563 1.00 0.46 C ATOM 1188 SD MET A 91 11.027 -13.566 5.463 1.00 0.60 S ATOM 1189 CE MET A 91 9.518 -13.766 4.484 1.00 1.00 C ATOM 0 H MET A 91 8.922 -17.826 6.682 1.00 0.27 H new ATOM 0 HA MET A 91 11.730 -17.757 6.031 1.00 0.26 H new ATOM 0 HB2 MET A 91 9.508 -16.080 6.073 1.00 0.29 H new ATOM 0 HB3 MET A 91 10.414 -15.475 7.445 1.00 0.29 H new ATOM 0 HG2 MET A 91 12.492 -15.428 5.917 1.00 0.46 H new ATOM 0 HG3 MET A 91 11.422 -15.773 4.573 1.00 0.46 H new ATOM 0 HE1 MET A 91 9.698 -13.424 3.465 1.00 1.00 H new ATOM 0 HE2 MET A 91 9.231 -14.817 4.469 1.00 1.00 H new ATOM 0 HE3 MET A 91 8.715 -13.177 4.928 1.00 1.00 H new ATOM 1199 N LEU A 92 10.948 -17.546 9.195 1.00 0.25 N ATOM 1200 CA LEU A 92 11.540 -17.653 10.553 1.00 0.25 C ATOM 1201 C LEU A 92 12.198 -19.011 10.684 1.00 0.25 C ATOM 1202 O LEU A 92 13.295 -19.127 11.193 1.00 0.27 O ATOM 1203 CB LEU A 92 10.371 -17.500 11.503 1.00 0.29 C ATOM 1204 CG LEU A 92 9.839 -16.086 11.334 1.00 0.31 C ATOM 1205 CD1 LEU A 92 8.338 -16.054 11.634 1.00 0.38 C ATOM 1206 CD2 LEU A 92 10.576 -15.145 12.291 1.00 0.34 C ATOM 0 H LEU A 92 9.929 -17.501 9.169 1.00 0.25 H new ATOM 0 HA LEU A 92 12.303 -16.903 10.761 1.00 0.25 H new ATOM 0 HB2 LEU A 92 9.595 -18.233 11.280 1.00 0.29 H new ATOM 0 HB3 LEU A 92 10.686 -17.672 12.532 1.00 0.29 H new ATOM 0 HG LEU A 92 10.003 -15.761 10.307 1.00 0.31 H new ATOM 0 HD11 LEU A 92 7.964 -15.038 11.511 1.00 0.38 H new ATOM 0 HD12 LEU A 92 7.815 -16.719 10.946 1.00 0.38 H new ATOM 0 HD13 LEU A 92 8.165 -16.383 12.659 1.00 0.38 H new ATOM 0 HD21 LEU A 92 10.195 -14.131 12.170 1.00 0.34 H new ATOM 0 HD22 LEU A 92 10.416 -15.473 13.318 1.00 0.34 H new ATOM 0 HD23 LEU A 92 11.643 -15.161 12.067 1.00 0.34 H new ATOM 1218 N ASN A 93 11.554 -20.035 10.179 1.00 0.26 N ATOM 1219 CA ASN A 93 12.167 -21.391 10.223 1.00 0.27 C ATOM 1220 C ASN A 93 13.552 -21.303 9.581 1.00 0.25 C ATOM 1221 O ASN A 93 14.449 -22.058 9.901 1.00 0.29 O ATOM 1222 CB ASN A 93 11.239 -22.284 9.397 1.00 0.32 C ATOM 1223 CG ASN A 93 11.144 -23.666 10.046 1.00 0.41 C ATOM 1224 OD1 ASN A 93 11.962 -24.528 9.789 1.00 0.56 O ATOM 1225 ND2 ASN A 93 10.173 -23.917 10.881 1.00 0.52 N ATOM 0 H ASN A 93 10.634 -19.987 9.741 1.00 0.26 H new ATOM 0 HA ASN A 93 12.282 -21.784 11.233 1.00 0.27 H new ATOM 0 HB2 ASN A 93 10.249 -21.834 9.331 1.00 0.32 H new ATOM 0 HB3 ASN A 93 11.617 -22.375 8.379 1.00 0.32 H new ATOM 0 HD21 ASN A 93 10.101 -24.836 11.318 1.00 0.52 H new ATOM 0 HD22 ASN A 93 9.486 -23.194 11.097 1.00 0.52 H new ATOM 1232 N ILE A 94 13.726 -20.353 8.687 1.00 0.23 N ATOM 1233 CA ILE A 94 15.053 -20.174 8.030 1.00 0.24 C ATOM 1234 C ILE A 94 15.966 -19.315 8.910 1.00 0.25 C ATOM 1235 O ILE A 94 17.151 -19.575 9.006 1.00 0.30 O ATOM 1236 CB ILE A 94 14.798 -19.450 6.701 1.00 0.26 C ATOM 1237 CG1 ILE A 94 13.526 -19.996 6.032 1.00 0.30 C ATOM 1238 CG2 ILE A 94 16.008 -19.662 5.785 1.00 0.32 C ATOM 1239 CD1 ILE A 94 13.632 -19.890 4.506 1.00 0.44 C ATOM 0 H ILE A 94 13.004 -19.698 8.388 1.00 0.23 H new ATOM 0 HA ILE A 94 15.538 -21.137 7.873 1.00 0.24 H new ATOM 0 HB ILE A 94 14.656 -18.385 6.885 1.00 0.26 H new ATOM 0 HG12 ILE A 94 13.375 -21.036 6.320 1.00 0.30 H new ATOM 0 HG13 ILE A 94 12.657 -19.439 6.381 1.00 0.30 H new ATOM 0 HG21 ILE A 94 15.840 -19.152 4.836 1.00 0.32 H new ATOM 0 HG22 ILE A 94 16.901 -19.257 6.262 1.00 0.32 H new ATOM 0 HG23 ILE A 94 16.145 -20.728 5.605 1.00 0.32 H new ATOM 0 HD11 ILE A 94 12.723 -20.281 4.050 1.00 0.44 H new ATOM 0 HD12 ILE A 94 13.760 -18.846 4.222 1.00 0.44 H new ATOM 0 HD13 ILE A 94 14.489 -20.468 4.160 1.00 0.44 H new ATOM 1251 N LEU A 95 15.444 -18.280 9.543 1.00 0.25 N ATOM 1252 CA LEU A 95 16.340 -17.423 10.389 1.00 0.28 C ATOM 1253 C LEU A 95 16.310 -17.861 11.859 1.00 0.29 C ATOM 1254 O LEU A 95 16.766 -17.146 12.732 1.00 0.34 O ATOM 1255 CB LEU A 95 15.831 -15.988 10.230 1.00 0.31 C ATOM 1256 CG LEU A 95 14.365 -15.901 10.639 1.00 0.33 C ATOM 1257 CD1 LEU A 95 14.246 -15.169 11.976 1.00 0.44 C ATOM 1258 CD2 LEU A 95 13.587 -15.135 9.564 1.00 0.40 C ATOM 0 H LEU A 95 14.464 -18.000 9.511 1.00 0.25 H new ATOM 0 HA LEU A 95 17.379 -17.512 10.071 1.00 0.28 H new ATOM 0 HB2 LEU A 95 16.428 -15.313 10.843 1.00 0.31 H new ATOM 0 HB3 LEU A 95 15.947 -15.666 9.195 1.00 0.31 H new ATOM 0 HG LEU A 95 13.955 -16.906 10.743 1.00 0.33 H new ATOM 0 HD11 LEU A 95 13.197 -15.108 12.266 1.00 0.44 H new ATOM 0 HD12 LEU A 95 14.802 -15.713 12.739 1.00 0.44 H new ATOM 0 HD13 LEU A 95 14.654 -14.163 11.878 1.00 0.44 H new ATOM 0 HD21 LEU A 95 12.538 -15.070 9.851 1.00 0.40 H new ATOM 0 HD22 LEU A 95 13.999 -14.131 9.463 1.00 0.40 H new ATOM 0 HD23 LEU A 95 13.670 -15.659 8.612 1.00 0.40 H new ATOM 1270 N ASN A 96 15.800 -19.037 12.137 1.00 0.29 N ATOM 1271 CA ASN A 96 15.766 -19.532 13.549 1.00 0.32 C ATOM 1272 C ASN A 96 16.678 -20.755 13.697 1.00 0.34 C ATOM 1273 O ASN A 96 16.977 -21.185 14.795 1.00 0.37 O ATOM 1274 CB ASN A 96 14.311 -19.922 13.814 1.00 0.37 C ATOM 1275 CG ASN A 96 13.512 -18.683 14.223 1.00 0.46 C ATOM 1276 OD1 ASN A 96 13.457 -17.658 13.416 1.00 0.59 O flip ATOM 1277 ND2 ASN A 96 12.931 -18.646 15.289 1.00 0.55 N flip ATOM 0 H ASN A 96 15.406 -19.676 11.446 1.00 0.29 H new ATOM 0 HA ASN A 96 16.115 -18.777 14.253 1.00 0.32 H new ATOM 0 HB2 ASN A 96 13.876 -20.369 12.920 1.00 0.37 H new ATOM 0 HB3 ASN A 96 14.263 -20.674 14.602 1.00 0.37 H new ATOM 0 HD21 ASN A 96 12.973 -19.446 15.921 1.00 0.55 H new ATOM 0 HD22 ASN A 96 12.401 -17.815 15.553 1.00 0.55 H new ATOM 1738 N PRO B 43 12.195 0.467 12.149 1.00 0.40 N ATOM 1739 CA PRO B 43 11.361 -0.597 11.558 1.00 0.35 C ATOM 1740 C PRO B 43 12.242 -1.740 11.040 1.00 0.31 C ATOM 1741 O PRO B 43 11.992 -2.900 11.307 1.00 0.35 O ATOM 1742 CB PRO B 43 10.657 0.109 10.407 1.00 0.38 C ATOM 1743 CG PRO B 43 11.546 1.258 10.028 1.00 0.43 C ATOM 1744 CD PRO B 43 12.504 1.515 11.169 1.00 0.45 C ATOM 0 HA PRO B 43 10.667 -1.047 12.268 1.00 0.35 H new ATOM 0 HB2 PRO B 43 10.511 -0.567 9.564 1.00 0.38 H new ATOM 0 HB3 PRO B 43 9.670 0.461 10.709 1.00 0.38 H new ATOM 0 HG2 PRO B 43 12.096 1.027 9.115 1.00 0.43 H new ATOM 0 HG3 PRO B 43 10.950 2.148 9.825 1.00 0.43 H new ATOM 0 HD2 PRO B 43 13.541 1.456 10.838 1.00 0.45 H new ATOM 0 HD3 PRO B 43 12.360 2.509 11.592 1.00 0.45 H new ATOM 1752 N LEU B 44 13.268 -1.410 10.294 1.00 0.31 N ATOM 1753 CA LEU B 44 14.184 -2.454 9.735 1.00 0.32 C ATOM 1754 C LEU B 44 13.401 -3.487 8.921 1.00 0.33 C ATOM 1755 O LEU B 44 13.866 -4.587 8.689 1.00 0.56 O ATOM 1756 CB LEU B 44 14.844 -3.117 10.943 1.00 0.37 C ATOM 1757 CG LEU B 44 16.072 -3.898 10.469 1.00 0.50 C ATOM 1758 CD1 LEU B 44 17.285 -3.520 11.322 1.00 0.66 C ATOM 1759 CD2 LEU B 44 15.809 -5.403 10.592 1.00 0.58 C ATOM 0 H LEU B 44 13.513 -0.451 10.046 1.00 0.31 H new ATOM 0 HA LEU B 44 14.921 -2.016 9.062 1.00 0.32 H new ATOM 0 HB2 LEU B 44 15.136 -2.363 11.674 1.00 0.37 H new ATOM 0 HB3 LEU B 44 14.140 -3.786 11.438 1.00 0.37 H new ATOM 0 HG LEU B 44 16.272 -3.651 9.426 1.00 0.50 H new ATOM 0 HD11 LEU B 44 18.157 -4.078 10.982 1.00 0.66 H new ATOM 0 HD12 LEU B 44 17.478 -2.451 11.227 1.00 0.66 H new ATOM 0 HD13 LEU B 44 17.085 -3.761 12.366 1.00 0.66 H new ATOM 0 HD21 LEU B 44 16.686 -5.954 10.253 1.00 0.58 H new ATOM 0 HD22 LEU B 44 15.603 -5.652 11.633 1.00 0.58 H new ATOM 0 HD23 LEU B 44 14.951 -5.674 9.977 1.00 0.58 H new ATOM 1771 N LYS B 45 12.225 -3.135 8.475 1.00 0.26 N ATOM 1772 CA LYS B 45 11.414 -4.086 7.660 1.00 0.25 C ATOM 1773 C LYS B 45 11.703 -3.852 6.175 1.00 0.27 C ATOM 1774 O LYS B 45 11.634 -4.758 5.376 1.00 0.33 O ATOM 1775 CB LYS B 45 9.953 -3.769 7.999 1.00 0.29 C ATOM 1776 CG LYS B 45 9.599 -2.356 7.524 1.00 0.43 C ATOM 1777 CD LYS B 45 8.119 -2.077 7.795 1.00 0.47 C ATOM 1778 CE LYS B 45 7.858 -2.105 9.303 1.00 0.56 C ATOM 1779 NZ LYS B 45 6.389 -1.898 9.442 1.00 0.43 N ATOM 0 H LYS B 45 11.790 -2.227 8.640 1.00 0.26 H new ATOM 0 HA LYS B 45 11.645 -5.130 7.872 1.00 0.25 H new ATOM 0 HB2 LYS B 45 9.295 -4.497 7.524 1.00 0.29 H new ATOM 0 HB3 LYS B 45 9.795 -3.850 9.074 1.00 0.29 H new ATOM 0 HG2 LYS B 45 10.218 -1.622 8.041 1.00 0.43 H new ATOM 0 HG3 LYS B 45 9.809 -2.257 6.459 1.00 0.43 H new ATOM 0 HD2 LYS B 45 7.841 -1.106 7.386 1.00 0.47 H new ATOM 0 HD3 LYS B 45 7.501 -2.822 7.295 1.00 0.47 H new ATOM 0 HE2 LYS B 45 8.166 -3.055 9.740 1.00 0.56 H new ATOM 0 HE3 LYS B 45 8.417 -1.322 9.815 1.00 0.56 H new ATOM 0 HZ1 LYS B 45 6.207 -1.191 10.182 1.00 0.43 H new ATOM 0 HZ2 LYS B 45 5.999 -1.562 8.538 1.00 0.43 H new ATOM 0 HZ3 LYS B 45 5.935 -2.797 9.703 1.00 0.43 H new ATOM 1793 N LEU B 46 12.033 -2.633 5.822 1.00 0.25 N ATOM 1794 CA LEU B 46 12.352 -2.279 4.398 1.00 0.28 C ATOM 1795 C LEU B 46 13.077 -3.428 3.673 1.00 0.28 C ATOM 1796 O LEU B 46 12.745 -3.774 2.552 1.00 0.32 O ATOM 1797 CB LEU B 46 13.290 -1.067 4.515 1.00 0.30 C ATOM 1798 CG LEU B 46 12.768 0.100 3.670 1.00 0.38 C ATOM 1799 CD1 LEU B 46 12.607 -0.338 2.209 1.00 0.47 C ATOM 1800 CD2 LEU B 46 11.420 0.566 4.225 1.00 0.46 C ATOM 0 H LEU B 46 12.097 -1.851 6.473 1.00 0.25 H new ATOM 0 HA LEU B 46 11.449 -2.078 3.822 1.00 0.28 H new ATOM 0 HB2 LEU B 46 13.370 -0.761 5.558 1.00 0.30 H new ATOM 0 HB3 LEU B 46 14.292 -1.342 4.186 1.00 0.30 H new ATOM 0 HG LEU B 46 13.482 0.922 3.713 1.00 0.38 H new ATOM 0 HD11 LEU B 46 12.236 0.499 1.617 1.00 0.47 H new ATOM 0 HD12 LEU B 46 13.572 -0.660 1.817 1.00 0.47 H new ATOM 0 HD13 LEU B 46 11.899 -1.165 2.153 1.00 0.47 H new ATOM 0 HD21 LEU B 46 11.047 1.396 3.625 1.00 0.46 H new ATOM 0 HD22 LEU B 46 10.707 -0.258 4.188 1.00 0.46 H new ATOM 0 HD23 LEU B 46 11.545 0.892 5.258 1.00 0.46 H new ATOM 1812 N PHE B 47 14.056 -4.022 4.311 1.00 0.27 N ATOM 1813 CA PHE B 47 14.806 -5.143 3.670 1.00 0.29 C ATOM 1814 C PHE B 47 13.970 -6.414 3.744 1.00 0.29 C ATOM 1815 O PHE B 47 13.841 -7.147 2.782 1.00 0.33 O ATOM 1816 CB PHE B 47 16.092 -5.281 4.494 1.00 0.32 C ATOM 1817 CG PHE B 47 16.754 -6.606 4.194 1.00 0.31 C ATOM 1818 CD1 PHE B 47 17.056 -6.955 2.872 1.00 0.34 C ATOM 1819 CD2 PHE B 47 17.058 -7.487 5.238 1.00 0.33 C ATOM 1820 CE1 PHE B 47 17.662 -8.185 2.595 1.00 0.36 C ATOM 1821 CE2 PHE B 47 17.662 -8.719 4.961 1.00 0.35 C ATOM 1822 CZ PHE B 47 17.964 -9.068 3.640 1.00 0.36 C ATOM 0 H PHE B 47 14.368 -3.777 5.251 1.00 0.27 H new ATOM 0 HA PHE B 47 15.026 -4.963 2.618 1.00 0.29 H new ATOM 0 HB2 PHE B 47 16.773 -4.463 4.261 1.00 0.32 H new ATOM 0 HB3 PHE B 47 15.862 -5.211 5.557 1.00 0.32 H new ATOM 0 HD1 PHE B 47 16.821 -6.275 2.067 1.00 0.34 H new ATOM 0 HD2 PHE B 47 16.827 -7.216 6.258 1.00 0.33 H new ATOM 0 HE1 PHE B 47 17.897 -8.454 1.576 1.00 0.36 H new ATOM 0 HE2 PHE B 47 17.895 -9.400 5.766 1.00 0.35 H new ATOM 0 HZ PHE B 47 18.430 -10.018 3.426 1.00 0.36 H new ATOM 1832 N MET B 48 13.394 -6.664 4.886 1.00 0.31 N ATOM 1833 CA MET B 48 12.544 -7.873 5.058 1.00 0.34 C ATOM 1834 C MET B 48 11.419 -7.866 4.024 1.00 0.31 C ATOM 1835 O MET B 48 11.208 -8.830 3.319 1.00 0.34 O ATOM 1836 CB MET B 48 11.975 -7.744 6.469 1.00 0.41 C ATOM 1837 CG MET B 48 11.891 -9.125 7.109 1.00 0.61 C ATOM 1838 SD MET B 48 13.177 -9.300 8.371 1.00 0.69 S ATOM 1839 CE MET B 48 14.591 -8.923 7.307 1.00 0.61 C ATOM 0 H MET B 48 13.477 -6.076 5.715 1.00 0.31 H new ATOM 0 HA MET B 48 13.098 -8.802 4.922 1.00 0.34 H new ATOM 0 HB2 MET B 48 12.608 -7.090 7.070 1.00 0.41 H new ATOM 0 HB3 MET B 48 10.986 -7.286 6.434 1.00 0.41 H new ATOM 0 HG2 MET B 48 10.908 -9.268 7.557 1.00 0.61 H new ATOM 0 HG3 MET B 48 12.010 -9.896 6.348 1.00 0.61 H new ATOM 0 HE1 MET B 48 15.516 -9.162 7.832 1.00 0.61 H new ATOM 0 HE2 MET B 48 14.528 -9.516 6.395 1.00 0.61 H new ATOM 0 HE3 MET B 48 14.582 -7.863 7.052 1.00 0.61 H new ATOM 1849 N ALA B 49 10.707 -6.773 3.930 1.00 0.31 N ATOM 1850 CA ALA B 49 9.594 -6.673 2.942 1.00 0.33 C ATOM 1851 C ALA B 49 10.130 -6.887 1.526 1.00 0.32 C ATOM 1852 O ALA B 49 9.534 -7.591 0.732 1.00 0.36 O ATOM 1853 CB ALA B 49 9.048 -5.253 3.103 1.00 0.40 C ATOM 0 H ALA B 49 10.851 -5.940 4.500 1.00 0.31 H new ATOM 0 HA ALA B 49 8.823 -7.425 3.107 1.00 0.33 H new ATOM 0 HB1 ALA B 49 8.223 -5.100 2.408 1.00 0.40 H new ATOM 0 HB2 ALA B 49 8.693 -5.113 4.124 1.00 0.40 H new ATOM 0 HB3 ALA B 49 9.839 -4.533 2.892 1.00 0.40 H new ATOM 1859 N LEU B 50 11.250 -6.286 1.201 1.00 0.32 N ATOM 1860 CA LEU B 50 11.818 -6.462 -0.170 1.00 0.35 C ATOM 1861 C LEU B 50 12.091 -7.945 -0.445 1.00 0.32 C ATOM 1862 O LEU B 50 11.513 -8.531 -1.343 1.00 0.37 O ATOM 1863 CB LEU B 50 13.120 -5.660 -0.181 1.00 0.42 C ATOM 1864 CG LEU B 50 13.268 -4.946 -1.527 1.00 0.54 C ATOM 1865 CD1 LEU B 50 12.115 -3.956 -1.717 1.00 0.73 C ATOM 1866 CD2 LEU B 50 14.598 -4.189 -1.559 1.00 0.81 C ATOM 0 H LEU B 50 11.791 -5.685 1.823 1.00 0.32 H new ATOM 0 HA LEU B 50 11.131 -6.118 -0.943 1.00 0.35 H new ATOM 0 HB2 LEU B 50 13.118 -4.932 0.631 1.00 0.42 H new ATOM 0 HB3 LEU B 50 13.969 -6.322 -0.013 1.00 0.42 H new ATOM 0 HG LEU B 50 13.247 -5.683 -2.330 1.00 0.54 H new ATOM 0 HD11 LEU B 50 12.224 -3.450 -2.676 1.00 0.73 H new ATOM 0 HD12 LEU B 50 11.167 -4.493 -1.696 1.00 0.73 H new ATOM 0 HD13 LEU B 50 12.132 -3.219 -0.914 1.00 0.73 H new ATOM 0 HD21 LEU B 50 14.704 -3.680 -2.517 1.00 0.81 H new ATOM 0 HD22 LEU B 50 14.618 -3.454 -0.754 1.00 0.81 H new ATOM 0 HD23 LEU B 50 15.420 -4.893 -1.429 1.00 0.81 H new ATOM 1878 N VAL B 51 12.962 -8.560 0.321 1.00 0.30 N ATOM 1879 CA VAL B 51 13.259 -10.000 0.096 1.00 0.31 C ATOM 1880 C VAL B 51 11.982 -10.825 0.289 1.00 0.29 C ATOM 1881 O VAL B 51 11.805 -11.855 -0.331 1.00 0.34 O ATOM 1882 CB VAL B 51 14.325 -10.360 1.135 1.00 0.34 C ATOM 1883 CG1 VAL B 51 14.657 -11.843 1.031 1.00 0.38 C ATOM 1884 CG2 VAL B 51 15.587 -9.538 0.867 1.00 0.42 C ATOM 0 H VAL B 51 13.475 -8.124 1.087 1.00 0.30 H new ATOM 0 HA VAL B 51 13.615 -10.206 -0.914 1.00 0.31 H new ATOM 0 HB VAL B 51 13.949 -10.142 2.135 1.00 0.34 H new ATOM 0 HG11 VAL B 51 15.416 -12.099 1.771 1.00 0.38 H new ATOM 0 HG12 VAL B 51 13.758 -12.431 1.215 1.00 0.38 H new ATOM 0 HG13 VAL B 51 15.035 -12.062 0.033 1.00 0.38 H new ATOM 0 HG21 VAL B 51 16.349 -9.791 1.604 1.00 0.42 H new ATOM 0 HG22 VAL B 51 15.961 -9.761 -0.132 1.00 0.42 H new ATOM 0 HG23 VAL B 51 15.351 -8.476 0.938 1.00 0.42 H new ATOM 1894 N ALA B 52 11.085 -10.367 1.129 1.00 0.28 N ATOM 1895 CA ALA B 52 9.807 -11.112 1.347 1.00 0.29 C ATOM 1896 C ALA B 52 8.987 -11.093 0.057 1.00 0.29 C ATOM 1897 O ALA B 52 8.539 -12.121 -0.416 1.00 0.33 O ATOM 1898 CB ALA B 52 9.076 -10.358 2.458 1.00 0.32 C ATOM 0 H ALA B 52 11.184 -9.510 1.673 1.00 0.28 H new ATOM 0 HA ALA B 52 9.973 -12.154 1.620 1.00 0.29 H new ATOM 0 HB1 ALA B 52 8.127 -10.852 2.669 1.00 0.32 H new ATOM 0 HB2 ALA B 52 9.690 -10.351 3.358 1.00 0.32 H new ATOM 0 HB3 ALA B 52 8.888 -9.333 2.139 1.00 0.32 H new ATOM 1904 N PHE B 53 8.806 -9.929 -0.524 1.00 0.30 N ATOM 1905 CA PHE B 53 8.037 -9.829 -1.803 1.00 0.32 C ATOM 1906 C PHE B 53 8.625 -10.821 -2.810 1.00 0.32 C ATOM 1907 O PHE B 53 7.933 -11.668 -3.355 1.00 0.34 O ATOM 1908 CB PHE B 53 8.242 -8.386 -2.268 1.00 0.36 C ATOM 1909 CG PHE B 53 7.667 -8.208 -3.652 1.00 0.36 C ATOM 1910 CD1 PHE B 53 6.315 -8.482 -3.891 1.00 0.44 C ATOM 1911 CD2 PHE B 53 8.488 -7.771 -4.696 1.00 0.43 C ATOM 1912 CE1 PHE B 53 5.785 -8.318 -5.175 1.00 0.48 C ATOM 1913 CE2 PHE B 53 7.960 -7.608 -5.981 1.00 0.48 C ATOM 1914 CZ PHE B 53 6.608 -7.881 -6.221 1.00 0.45 C ATOM 0 H PHE B 53 9.160 -9.042 -0.165 1.00 0.30 H new ATOM 0 HA PHE B 53 6.978 -10.063 -1.694 1.00 0.32 H new ATOM 0 HB2 PHE B 53 7.760 -7.698 -1.573 1.00 0.36 H new ATOM 0 HB3 PHE B 53 9.305 -8.143 -2.272 1.00 0.36 H new ATOM 0 HD1 PHE B 53 5.681 -8.820 -3.084 1.00 0.44 H new ATOM 0 HD2 PHE B 53 9.531 -7.559 -4.510 1.00 0.43 H new ATOM 0 HE1 PHE B 53 4.742 -8.528 -5.360 1.00 0.48 H new ATOM 0 HE2 PHE B 53 8.595 -7.272 -6.787 1.00 0.48 H new ATOM 0 HZ PHE B 53 6.199 -7.755 -7.213 1.00 0.45 H new ATOM 1924 N LEU B 54 9.911 -10.746 -3.030 1.00 0.33 N ATOM 1925 CA LEU B 54 10.558 -11.705 -3.964 1.00 0.35 C ATOM 1926 C LEU B 54 10.333 -13.124 -3.435 1.00 0.34 C ATOM 1927 O LEU B 54 10.097 -14.047 -4.188 1.00 0.39 O ATOM 1928 CB LEU B 54 12.044 -11.336 -3.953 1.00 0.38 C ATOM 1929 CG LEU B 54 12.332 -10.295 -5.041 1.00 0.40 C ATOM 1930 CD1 LEU B 54 12.012 -10.884 -6.417 1.00 0.47 C ATOM 1931 CD2 LEU B 54 11.468 -9.052 -4.808 1.00 0.43 C ATOM 0 H LEU B 54 10.537 -10.063 -2.603 1.00 0.33 H new ATOM 0 HA LEU B 54 10.157 -11.663 -4.977 1.00 0.35 H new ATOM 0 HB2 LEU B 54 12.322 -10.940 -2.976 1.00 0.38 H new ATOM 0 HB3 LEU B 54 12.650 -12.227 -4.120 1.00 0.38 H new ATOM 0 HG LEU B 54 13.386 -10.018 -5.000 1.00 0.40 H new ATOM 0 HD11 LEU B 54 12.218 -10.141 -7.188 1.00 0.47 H new ATOM 0 HD12 LEU B 54 12.630 -11.765 -6.588 1.00 0.47 H new ATOM 0 HD13 LEU B 54 10.960 -11.166 -6.456 1.00 0.47 H new ATOM 0 HD21 LEU B 54 11.675 -8.314 -5.583 1.00 0.43 H new ATOM 0 HD22 LEU B 54 10.414 -9.329 -4.843 1.00 0.43 H new ATOM 0 HD23 LEU B 54 11.698 -8.627 -3.831 1.00 0.43 H new ATOM 1943 N ARG B 55 10.375 -13.289 -2.132 1.00 0.31 N ATOM 1944 CA ARG B 55 10.140 -14.637 -1.531 1.00 0.32 C ATOM 1945 C ARG B 55 8.655 -15.011 -1.623 1.00 0.32 C ATOM 1946 O ARG B 55 8.263 -16.113 -1.289 1.00 0.37 O ATOM 1947 CB ARG B 55 10.573 -14.514 -0.069 1.00 0.33 C ATOM 1948 CG ARG B 55 10.613 -15.904 0.572 1.00 0.35 C ATOM 1949 CD ARG B 55 9.431 -16.066 1.530 1.00 0.37 C ATOM 1950 NE ARG B 55 9.457 -17.500 1.932 1.00 0.41 N ATOM 1951 CZ ARG B 55 8.493 -18.300 1.563 1.00 0.37 C ATOM 1952 NH1 ARG B 55 7.985 -18.204 0.365 1.00 0.38 N ATOM 1953 NH2 ARG B 55 8.038 -19.198 2.394 1.00 0.40 N ATOM 0 H ARG B 55 10.563 -12.545 -1.460 1.00 0.31 H new ATOM 0 HA ARG B 55 10.697 -15.416 -2.052 1.00 0.32 H new ATOM 0 HB2 ARG B 55 11.555 -14.046 -0.008 1.00 0.33 H new ATOM 0 HB3 ARG B 55 9.879 -13.872 0.474 1.00 0.33 H new ATOM 0 HG2 ARG B 55 10.575 -16.672 -0.200 1.00 0.35 H new ATOM 0 HG3 ARG B 55 11.551 -16.040 1.111 1.00 0.35 H new ATOM 0 HD2 ARG B 55 9.531 -15.411 2.396 1.00 0.37 H new ATOM 0 HD3 ARG B 55 8.490 -15.809 1.043 1.00 0.37 H new ATOM 0 HE ARG B 55 10.228 -17.857 2.496 1.00 0.41 H new ATOM 0 HH11 ARG B 55 8.341 -17.503 -0.285 1.00 0.38 H new ATOM 0 HH12 ARG B 55 7.232 -18.830 0.079 1.00 0.38 H new ATOM 0 HH21 ARG B 55 8.435 -19.274 3.330 1.00 0.40 H new ATOM 0 HH22 ARG B 55 7.285 -19.823 2.107 1.00 0.40 H new ATOM 1967 N PHE B 56 7.827 -14.106 -2.075 1.00 0.32 N ATOM 1968 CA PHE B 56 6.375 -14.419 -2.195 1.00 0.35 C ATOM 1969 C PHE B 56 6.037 -14.791 -3.640 1.00 0.38 C ATOM 1970 O PHE B 56 5.043 -15.441 -3.899 1.00 0.43 O ATOM 1971 CB PHE B 56 5.643 -13.129 -1.807 1.00 0.34 C ATOM 1972 CG PHE B 56 5.727 -12.875 -0.312 1.00 0.36 C ATOM 1973 CD1 PHE B 56 6.432 -13.746 0.539 1.00 0.45 C ATOM 1974 CD2 PHE B 56 5.088 -11.750 0.222 1.00 0.46 C ATOM 1975 CE1 PHE B 56 6.492 -13.484 1.914 1.00 0.52 C ATOM 1976 CE2 PHE B 56 5.150 -11.491 1.596 1.00 0.58 C ATOM 1977 CZ PHE B 56 5.851 -12.358 2.442 1.00 0.57 C ATOM 0 H PHE B 56 8.094 -13.165 -2.366 1.00 0.32 H new ATOM 0 HA PHE B 56 6.089 -15.258 -1.561 1.00 0.35 H new ATOM 0 HB2 PHE B 56 6.076 -12.286 -2.346 1.00 0.34 H new ATOM 0 HB3 PHE B 56 4.598 -13.197 -2.108 1.00 0.34 H new ATOM 0 HD1 PHE B 56 6.927 -14.616 0.133 1.00 0.45 H new ATOM 0 HD2 PHE B 56 4.545 -11.080 -0.428 1.00 0.46 H new ATOM 0 HE1 PHE B 56 7.034 -14.152 2.567 1.00 0.52 H new ATOM 0 HE2 PHE B 56 4.656 -10.621 2.004 1.00 0.58 H new ATOM 0 HZ PHE B 56 5.897 -12.158 3.502 1.00 0.57 H new ATOM 1987 N LEU B 57 6.838 -14.358 -4.586 1.00 0.38 N ATOM 1988 CA LEU B 57 6.527 -14.666 -6.019 1.00 0.44 C ATOM 1989 C LEU B 57 7.443 -15.757 -6.597 1.00 0.48 C ATOM 1990 O LEU B 57 6.984 -16.626 -7.317 1.00 0.58 O ATOM 1991 CB LEU B 57 6.735 -13.343 -6.764 1.00 0.45 C ATOM 1992 CG LEU B 57 6.070 -12.196 -5.991 1.00 0.41 C ATOM 1993 CD1 LEU B 57 6.241 -10.886 -6.766 1.00 0.51 C ATOM 1994 CD2 LEU B 57 4.577 -12.493 -5.803 1.00 0.47 C ATOM 0 H LEU B 57 7.685 -13.811 -4.430 1.00 0.38 H new ATOM 0 HA LEU B 57 5.513 -15.054 -6.121 1.00 0.44 H new ATOM 0 HB2 LEU B 57 7.801 -13.145 -6.880 1.00 0.45 H new ATOM 0 HB3 LEU B 57 6.312 -13.410 -7.767 1.00 0.45 H new ATOM 0 HG LEU B 57 6.542 -12.102 -5.013 1.00 0.41 H new ATOM 0 HD11 LEU B 57 5.768 -10.073 -6.215 1.00 0.51 H new ATOM 0 HD12 LEU B 57 7.303 -10.672 -6.889 1.00 0.51 H new ATOM 0 HD13 LEU B 57 5.774 -10.980 -7.747 1.00 0.51 H new ATOM 0 HD21 LEU B 57 4.110 -11.676 -5.254 1.00 0.47 H new ATOM 0 HD22 LEU B 57 4.101 -12.594 -6.778 1.00 0.47 H new ATOM 0 HD23 LEU B 57 4.458 -13.421 -5.243 1.00 0.47 H new ATOM 2006 N THR B 58 8.725 -15.718 -6.320 1.00 0.46 N ATOM 2007 CA THR B 58 9.642 -16.756 -6.897 1.00 0.52 C ATOM 2008 C THR B 58 10.736 -17.171 -5.899 1.00 0.47 C ATOM 2009 O THR B 58 11.461 -18.120 -6.133 1.00 0.52 O ATOM 2010 CB THR B 58 10.261 -16.080 -8.124 1.00 0.59 C ATOM 2011 OG1 THR B 58 9.245 -15.816 -9.082 1.00 1.47 O ATOM 2012 CG2 THR B 58 11.314 -16.997 -8.743 1.00 1.33 C ATOM 0 H THR B 58 9.174 -15.021 -5.726 1.00 0.46 H new ATOM 0 HA THR B 58 9.106 -17.673 -7.144 1.00 0.52 H new ATOM 0 HB THR B 58 10.731 -15.144 -7.820 1.00 0.59 H new ATOM 0 HG1 THR B 58 9.640 -15.382 -9.867 1.00 1.47 H new ATOM 0 HG21 THR B 58 11.751 -16.512 -9.616 1.00 1.33 H new ATOM 0 HG22 THR B 58 12.095 -17.200 -8.011 1.00 1.33 H new ATOM 0 HG23 THR B 58 10.848 -17.935 -9.045 1.00 1.33 H new ATOM 2020 N ILE B 59 10.855 -16.478 -4.795 1.00 0.41 N ATOM 2021 CA ILE B 59 11.890 -16.825 -3.772 1.00 0.40 C ATOM 2022 C ILE B 59 13.295 -16.918 -4.395 1.00 0.40 C ATOM 2023 O ILE B 59 13.908 -17.970 -4.386 1.00 0.43 O ATOM 2024 CB ILE B 59 11.450 -18.177 -3.209 1.00 0.45 C ATOM 2025 CG1 ILE B 59 10.037 -18.058 -2.638 1.00 0.46 C ATOM 2026 CG2 ILE B 59 12.408 -18.607 -2.094 1.00 0.48 C ATOM 2027 CD1 ILE B 59 9.013 -18.340 -3.739 1.00 0.49 C ATOM 0 H ILE B 59 10.272 -15.676 -4.555 1.00 0.41 H new ATOM 0 HA ILE B 59 11.962 -16.060 -2.999 1.00 0.40 H new ATOM 0 HB ILE B 59 11.462 -18.919 -4.008 1.00 0.45 H new ATOM 0 HG12 ILE B 59 9.906 -18.762 -1.816 1.00 0.46 H new ATOM 0 HG13 ILE B 59 9.882 -17.059 -2.230 1.00 0.46 H new ATOM 0 HG21 ILE B 59 12.092 -19.571 -1.695 1.00 0.48 H new ATOM 0 HG22 ILE B 59 13.418 -18.694 -2.495 1.00 0.48 H new ATOM 0 HG23 ILE B 59 12.397 -17.863 -1.298 1.00 0.48 H new ATOM 0 HD11 ILE B 59 8.006 -18.255 -3.330 1.00 0.49 H new ATOM 0 HD12 ILE B 59 9.139 -17.619 -4.546 1.00 0.49 H new ATOM 0 HD13 ILE B 59 9.163 -19.348 -4.126 1.00 0.49 H new ATOM 2039 N PRO B 60 13.769 -15.802 -4.898 1.00 0.42 N ATOM 2040 CA PRO B 60 15.112 -15.712 -5.494 1.00 0.45 C ATOM 2041 C PRO B 60 16.067 -14.970 -4.530 1.00 0.42 C ATOM 2042 O PRO B 60 16.548 -13.899 -4.856 1.00 0.48 O ATOM 2043 CB PRO B 60 14.834 -14.839 -6.718 1.00 0.53 C ATOM 2044 CG PRO B 60 13.613 -14.022 -6.355 1.00 0.54 C ATOM 2045 CD PRO B 60 13.109 -14.516 -5.014 1.00 0.46 C ATOM 0 HA PRO B 60 15.575 -16.674 -5.715 1.00 0.45 H new ATOM 0 HB2 PRO B 60 15.685 -14.196 -6.944 1.00 0.53 H new ATOM 0 HB3 PRO B 60 14.651 -15.449 -7.603 1.00 0.53 H new ATOM 0 HG2 PRO B 60 13.864 -12.963 -6.302 1.00 0.54 H new ATOM 0 HG3 PRO B 60 12.841 -14.129 -7.117 1.00 0.54 H new ATOM 0 HD2 PRO B 60 13.383 -13.842 -4.202 1.00 0.46 H new ATOM 0 HD3 PRO B 60 12.023 -14.612 -4.996 1.00 0.46 H new ATOM 2053 N PRO B 61 16.310 -15.534 -3.364 1.00 0.39 N ATOM 2054 CA PRO B 61 17.200 -14.862 -2.385 1.00 0.41 C ATOM 2055 C PRO B 61 18.643 -14.870 -2.887 1.00 0.42 C ATOM 2056 O PRO B 61 19.323 -15.877 -2.844 1.00 0.44 O ATOM 2057 CB PRO B 61 17.047 -15.693 -1.117 1.00 0.42 C ATOM 2058 CG PRO B 61 16.618 -17.037 -1.595 1.00 0.41 C ATOM 2059 CD PRO B 61 15.811 -16.814 -2.848 1.00 0.42 C ATOM 0 HA PRO B 61 16.945 -13.815 -2.222 1.00 0.41 H new ATOM 0 HB2 PRO B 61 17.985 -15.750 -0.565 1.00 0.42 H new ATOM 0 HB3 PRO B 61 16.308 -15.257 -0.445 1.00 0.42 H new ATOM 0 HG2 PRO B 61 17.482 -17.669 -1.799 1.00 0.41 H new ATOM 0 HG3 PRO B 61 16.023 -17.546 -0.837 1.00 0.41 H new ATOM 0 HD2 PRO B 61 15.958 -17.620 -3.567 1.00 0.42 H new ATOM 0 HD3 PRO B 61 14.743 -16.770 -2.633 1.00 0.42 H new ATOM 2067 N THR B 62 19.102 -13.745 -3.369 1.00 0.43 N ATOM 2068 CA THR B 62 20.497 -13.647 -3.892 1.00 0.46 C ATOM 2069 C THR B 62 21.500 -14.107 -2.821 1.00 0.43 C ATOM 2070 O THR B 62 21.160 -14.234 -1.661 1.00 0.41 O ATOM 2071 CB THR B 62 20.658 -12.159 -4.260 1.00 0.51 C ATOM 2072 OG1 THR B 62 21.132 -12.056 -5.593 1.00 0.62 O ATOM 2073 CG2 THR B 62 21.638 -11.450 -3.319 1.00 0.49 C ATOM 0 H THR B 62 18.564 -12.880 -3.423 1.00 0.43 H new ATOM 0 HA THR B 62 20.686 -14.287 -4.753 1.00 0.46 H new ATOM 0 HB THR B 62 19.685 -11.677 -4.163 1.00 0.51 H new ATOM 0 HG1 THR B 62 21.234 -11.111 -5.832 1.00 0.62 H new ATOM 0 HG21 THR B 62 21.727 -10.403 -3.608 1.00 0.49 H new ATOM 0 HG22 THR B 62 21.270 -11.514 -2.295 1.00 0.49 H new ATOM 0 HG23 THR B 62 22.615 -11.928 -3.384 1.00 0.49 H new ATOM 2081 N ALA B 63 22.723 -14.365 -3.215 1.00 0.47 N ATOM 2082 CA ALA B 63 23.766 -14.836 -2.245 1.00 0.47 C ATOM 2083 C ALA B 63 23.826 -13.937 -1.005 1.00 0.41 C ATOM 2084 O ALA B 63 23.962 -14.413 0.107 1.00 0.42 O ATOM 2085 CB ALA B 63 25.083 -14.755 -3.019 1.00 0.52 C ATOM 0 H ALA B 63 23.048 -14.269 -4.177 1.00 0.47 H new ATOM 0 HA ALA B 63 23.550 -15.841 -1.883 1.00 0.47 H new ATOM 0 HB1 ALA B 63 25.902 -15.084 -2.379 1.00 0.52 H new ATOM 0 HB2 ALA B 63 25.029 -15.398 -3.898 1.00 0.52 H new ATOM 0 HB3 ALA B 63 25.258 -13.726 -3.332 1.00 0.52 H new ATOM 2091 N GLY B 64 23.735 -12.648 -1.189 1.00 0.39 N ATOM 2092 CA GLY B 64 23.798 -11.713 -0.025 1.00 0.38 C ATOM 2093 C GLY B 64 22.672 -12.020 0.966 1.00 0.34 C ATOM 2094 O GLY B 64 22.877 -12.032 2.157 1.00 0.34 O ATOM 0 H GLY B 64 23.619 -12.199 -2.098 1.00 0.39 H new ATOM 0 HA2 GLY B 64 24.764 -11.805 0.472 1.00 0.38 H new ATOM 0 HA3 GLY B 64 23.715 -10.683 -0.372 1.00 0.38 H new ATOM 2098 N ILE B 65 21.485 -12.257 0.481 1.00 0.34 N ATOM 2099 CA ILE B 65 20.330 -12.552 1.384 1.00 0.31 C ATOM 2100 C ILE B 65 20.647 -13.732 2.307 1.00 0.31 C ATOM 2101 O ILE B 65 20.344 -13.696 3.484 1.00 0.33 O ATOM 2102 CB ILE B 65 19.164 -12.884 0.442 1.00 0.33 C ATOM 2103 CG1 ILE B 65 18.884 -11.685 -0.475 1.00 0.37 C ATOM 2104 CG2 ILE B 65 17.905 -13.201 1.257 1.00 0.34 C ATOM 2105 CD1 ILE B 65 18.783 -10.407 0.361 1.00 0.38 C ATOM 0 H ILE B 65 21.260 -12.260 -0.514 1.00 0.34 H new ATOM 0 HA ILE B 65 20.096 -11.712 2.038 1.00 0.31 H new ATOM 0 HB ILE B 65 19.432 -13.752 -0.160 1.00 0.33 H new ATOM 0 HG12 ILE B 65 19.680 -11.586 -1.213 1.00 0.37 H new ATOM 0 HG13 ILE B 65 17.957 -11.845 -1.026 1.00 0.37 H new ATOM 0 HG21 ILE B 65 17.083 -13.435 0.581 1.00 0.34 H new ATOM 0 HG22 ILE B 65 18.097 -14.056 1.905 1.00 0.34 H new ATOM 0 HG23 ILE B 65 17.639 -12.337 1.866 1.00 0.34 H new ATOM 0 HD11 ILE B 65 18.584 -9.559 -0.294 1.00 0.38 H new ATOM 0 HD12 ILE B 65 17.972 -10.507 1.082 1.00 0.38 H new ATOM 0 HD13 ILE B 65 19.721 -10.244 0.891 1.00 0.38 H new ATOM 2117 N LEU B 66 21.260 -14.769 1.792 1.00 0.34 N ATOM 2118 CA LEU B 66 21.596 -15.939 2.660 1.00 0.37 C ATOM 2119 C LEU B 66 22.848 -15.637 3.485 1.00 0.37 C ATOM 2120 O LEU B 66 22.882 -15.866 4.679 1.00 0.40 O ATOM 2121 CB LEU B 66 21.852 -17.112 1.704 1.00 0.44 C ATOM 2122 CG LEU B 66 20.576 -17.480 0.925 1.00 0.49 C ATOM 2123 CD1 LEU B 66 19.323 -17.225 1.774 1.00 0.60 C ATOM 2124 CD2 LEU B 66 20.508 -16.642 -0.353 1.00 0.50 C ATOM 0 H LEU B 66 21.540 -14.856 0.815 1.00 0.34 H new ATOM 0 HA LEU B 66 20.793 -16.167 3.361 1.00 0.37 H new ATOM 0 HB2 LEU B 66 22.646 -16.849 1.005 1.00 0.44 H new ATOM 0 HB3 LEU B 66 22.199 -17.977 2.269 1.00 0.44 H new ATOM 0 HG LEU B 66 20.612 -18.541 0.676 1.00 0.49 H new ATOM 0 HD11 LEU B 66 18.435 -17.493 1.201 1.00 0.60 H new ATOM 0 HD12 LEU B 66 19.367 -17.831 2.679 1.00 0.60 H new ATOM 0 HD13 LEU B 66 19.276 -16.170 2.045 1.00 0.60 H new ATOM 0 HD21 LEU B 66 19.606 -16.899 -0.909 1.00 0.50 H new ATOM 0 HD22 LEU B 66 20.485 -15.584 -0.093 1.00 0.50 H new ATOM 0 HD23 LEU B 66 21.384 -16.846 -0.969 1.00 0.50 H new ATOM 2136 N LYS B 67 23.873 -15.115 2.859 1.00 0.38 N ATOM 2137 CA LYS B 67 25.124 -14.787 3.609 1.00 0.42 C ATOM 2138 C LYS B 67 24.810 -13.771 4.708 1.00 0.39 C ATOM 2139 O LYS B 67 25.327 -13.845 5.806 1.00 0.44 O ATOM 2140 CB LYS B 67 26.064 -14.173 2.571 1.00 0.47 C ATOM 2141 CG LYS B 67 26.969 -15.260 1.989 1.00 0.56 C ATOM 2142 CD LYS B 67 27.992 -15.697 3.042 1.00 0.67 C ATOM 2143 CE LYS B 67 29.044 -14.600 3.224 1.00 0.78 C ATOM 2144 NZ LYS B 67 29.774 -14.973 4.468 1.00 0.98 N ATOM 0 H LYS B 67 23.898 -14.902 1.862 1.00 0.38 H new ATOM 0 HA LYS B 67 25.566 -15.662 4.086 1.00 0.42 H new ATOM 0 HB2 LYS B 67 25.486 -13.703 1.775 1.00 0.47 H new ATOM 0 HB3 LYS B 67 26.668 -13.391 3.031 1.00 0.47 H new ATOM 0 HG2 LYS B 67 26.371 -16.114 1.673 1.00 0.56 H new ATOM 0 HG3 LYS B 67 27.482 -14.884 1.103 1.00 0.56 H new ATOM 0 HD2 LYS B 67 27.491 -15.895 3.990 1.00 0.67 H new ATOM 0 HD3 LYS B 67 28.471 -16.626 2.734 1.00 0.67 H new ATOM 0 HE2 LYS B 67 29.718 -14.553 2.369 1.00 0.78 H new ATOM 0 HE3 LYS B 67 28.579 -13.618 3.318 1.00 0.78 H new ATOM 0 HZ1 LYS B 67 30.514 -14.268 4.661 1.00 0.98 H new ATOM 0 HZ2 LYS B 67 29.108 -15.003 5.266 1.00 0.98 H new ATOM 0 HZ3 LYS B 67 30.211 -15.909 4.347 1.00 0.98 H new ATOM 2158 N ARG B 68 23.956 -12.829 4.408 1.00 0.35 N ATOM 2159 CA ARG B 68 23.578 -11.795 5.411 1.00 0.35 C ATOM 2160 C ARG B 68 22.493 -12.353 6.345 1.00 0.33 C ATOM 2161 O ARG B 68 22.290 -11.862 7.439 1.00 0.38 O ATOM 2162 CB ARG B 68 23.075 -10.602 4.575 1.00 0.35 C ATOM 2163 CG ARG B 68 21.568 -10.700 4.327 1.00 0.36 C ATOM 2164 CD ARG B 68 21.172 -9.693 3.243 1.00 0.37 C ATOM 2165 NE ARG B 68 21.087 -8.383 3.947 1.00 0.43 N ATOM 2166 CZ ARG B 68 22.168 -7.680 4.152 1.00 0.42 C ATOM 2167 NH1 ARG B 68 23.026 -7.507 3.184 1.00 0.44 N ATOM 2168 NH2 ARG B 68 22.389 -7.149 5.323 1.00 0.47 N ATOM 0 H ARG B 68 23.500 -12.732 3.501 1.00 0.35 H new ATOM 0 HA ARG B 68 24.404 -11.495 6.056 1.00 0.35 H new ATOM 0 HB2 ARG B 68 23.302 -9.670 5.093 1.00 0.35 H new ATOM 0 HB3 ARG B 68 23.603 -10.574 3.622 1.00 0.35 H new ATOM 0 HG2 ARG B 68 21.303 -11.711 4.016 1.00 0.36 H new ATOM 0 HG3 ARG B 68 21.021 -10.496 5.248 1.00 0.36 H new ATOM 0 HD2 ARG B 68 21.911 -9.664 2.442 1.00 0.37 H new ATOM 0 HD3 ARG B 68 20.218 -9.959 2.787 1.00 0.37 H new ATOM 0 HE ARG B 68 20.184 -8.035 4.269 1.00 0.43 H new ATOM 0 HH11 ARG B 68 22.852 -7.921 2.268 1.00 0.44 H new ATOM 0 HH12 ARG B 68 23.871 -6.958 3.343 1.00 0.44 H new ATOM 0 HH21 ARG B 68 21.717 -7.283 6.079 1.00 0.47 H new ATOM 0 HH22 ARG B 68 23.234 -6.600 5.483 1.00 0.47 H new ATOM 2182 N TRP B 69 21.809 -13.384 5.910 1.00 0.30 N ATOM 2183 CA TRP B 69 20.736 -14.017 6.742 1.00 0.29 C ATOM 2184 C TRP B 69 21.236 -14.312 8.162 1.00 0.33 C ATOM 2185 O TRP B 69 20.486 -14.237 9.118 1.00 0.38 O ATOM 2186 CB TRP B 69 20.441 -15.330 6.021 1.00 0.29 C ATOM 2187 CG TRP B 69 19.052 -15.792 6.313 1.00 0.27 C ATOM 2188 CD1 TRP B 69 18.743 -17.017 6.789 1.00 0.31 C ATOM 2189 CD2 TRP B 69 17.785 -15.084 6.146 1.00 0.26 C ATOM 2190 NE1 TRP B 69 17.374 -17.111 6.929 1.00 0.30 N ATOM 2191 CE2 TRP B 69 16.738 -15.951 6.546 1.00 0.27 C ATOM 2192 CE3 TRP B 69 17.437 -13.793 5.695 1.00 0.26 C ATOM 2193 CZ2 TRP B 69 15.404 -15.558 6.499 1.00 0.28 C ATOM 2194 CZ3 TRP B 69 16.091 -13.399 5.648 1.00 0.28 C ATOM 2195 CH2 TRP B 69 15.080 -14.282 6.048 1.00 0.28 C ATOM 0 H TRP B 69 21.951 -13.821 4.999 1.00 0.30 H new ATOM 0 HA TRP B 69 19.865 -13.371 6.847 1.00 0.29 H new ATOM 0 HB2 TRP B 69 20.567 -15.197 4.947 1.00 0.29 H new ATOM 0 HB3 TRP B 69 21.156 -16.091 6.334 1.00 0.29 H new ATOM 0 HD1 TRP B 69 19.453 -17.797 7.022 1.00 0.31 H new ATOM 0 HE1 TRP B 69 16.891 -17.940 7.275 1.00 0.30 H new ATOM 0 HE3 TRP B 69 18.210 -13.105 5.385 1.00 0.26 H new ATOM 0 HZ2 TRP B 69 14.625 -16.239 6.810 1.00 0.28 H new ATOM 0 HZ3 TRP B 69 15.833 -12.409 5.301 1.00 0.28 H new ATOM 0 HH2 TRP B 69 14.046 -13.972 6.006 1.00 0.28 H new ATOM 2206 N GLY B 70 22.492 -14.666 8.301 1.00 0.39 N ATOM 2207 CA GLY B 70 23.042 -14.991 9.653 1.00 0.46 C ATOM 2208 C GLY B 70 24.110 -13.971 10.060 1.00 0.47 C ATOM 2209 O GLY B 70 25.063 -14.306 10.739 1.00 0.56 O ATOM 0 H GLY B 70 23.160 -14.744 7.534 1.00 0.39 H new ATOM 0 HA2 GLY B 70 22.237 -14.995 10.388 1.00 0.46 H new ATOM 0 HA3 GLY B 70 23.472 -15.993 9.645 1.00 0.46 H new ATOM 2213 N THR B 71 23.955 -12.733 9.665 1.00 0.42 N ATOM 2214 CA THR B 71 24.958 -11.691 10.046 1.00 0.46 C ATOM 2215 C THR B 71 24.246 -10.398 10.467 1.00 0.45 C ATOM 2216 O THR B 71 24.859 -9.353 10.582 1.00 0.49 O ATOM 2217 CB THR B 71 25.825 -11.483 8.791 1.00 0.49 C ATOM 2218 OG1 THR B 71 27.162 -11.215 9.189 1.00 0.61 O ATOM 2219 CG2 THR B 71 25.303 -10.308 7.955 1.00 0.57 C ATOM 0 H THR B 71 23.178 -12.398 9.095 1.00 0.42 H new ATOM 0 HA THR B 71 25.569 -11.991 10.897 1.00 0.46 H new ATOM 0 HB THR B 71 25.783 -12.387 8.184 1.00 0.49 H new ATOM 0 HG1 THR B 71 27.720 -11.083 8.394 1.00 0.61 H new ATOM 0 HG21 THR B 71 25.932 -10.181 7.074 1.00 0.57 H new ATOM 0 HG22 THR B 71 24.278 -10.510 7.643 1.00 0.57 H new ATOM 0 HG23 THR B 71 25.328 -9.397 8.553 1.00 0.57 H new ATOM 2227 N ILE B 72 22.959 -10.468 10.703 1.00 0.44 N ATOM 2228 CA ILE B 72 22.203 -9.252 11.123 1.00 0.45 C ATOM 2229 C ILE B 72 21.902 -9.325 12.628 1.00 0.46 C ATOM 2230 O ILE B 72 22.789 -9.568 13.425 1.00 0.57 O ATOM 2231 CB ILE B 72 20.919 -9.265 10.280 1.00 0.41 C ATOM 2232 CG1 ILE B 72 20.136 -10.557 10.540 1.00 0.38 C ATOM 2233 CG2 ILE B 72 21.279 -9.179 8.793 1.00 0.46 C ATOM 2234 CD1 ILE B 72 18.653 -10.320 10.247 1.00 0.35 C ATOM 0 H ILE B 72 22.400 -11.317 10.622 1.00 0.44 H new ATOM 0 HA ILE B 72 22.760 -8.328 10.965 1.00 0.45 H new ATOM 0 HB ILE B 72 20.303 -8.409 10.557 1.00 0.41 H new ATOM 0 HG12 ILE B 72 20.519 -11.360 9.910 1.00 0.38 H new ATOM 0 HG13 ILE B 72 20.268 -10.873 11.575 1.00 0.38 H new ATOM 0 HG21 ILE B 72 20.367 -9.188 8.197 1.00 0.46 H new ATOM 0 HG22 ILE B 72 21.827 -8.256 8.604 1.00 0.46 H new ATOM 0 HG23 ILE B 72 21.900 -10.032 8.519 1.00 0.46 H new ATOM 0 HD11 ILE B 72 18.095 -11.238 10.431 1.00 0.35 H new ATOM 0 HD12 ILE B 72 18.276 -9.529 10.895 1.00 0.35 H new ATOM 0 HD13 ILE B 72 18.531 -10.024 9.205 1.00 0.35 H new ATOM 2246 N LYS B 73 20.671 -9.113 13.025 1.00 0.41 N ATOM 2247 CA LYS B 73 20.327 -9.165 14.478 1.00 0.42 C ATOM 2248 C LYS B 73 19.282 -10.242 14.744 1.00 0.38 C ATOM 2249 O LYS B 73 19.247 -10.829 15.808 1.00 0.40 O ATOM 2250 CB LYS B 73 19.748 -7.781 14.783 1.00 0.45 C ATOM 2251 CG LYS B 73 19.074 -7.784 16.157 1.00 0.45 C ATOM 2252 CD LYS B 73 19.552 -6.582 16.972 1.00 0.55 C ATOM 2253 CE LYS B 73 20.737 -6.981 17.851 1.00 0.57 C ATOM 2254 NZ LYS B 73 21.946 -6.548 17.095 1.00 0.58 N ATOM 0 H LYS B 73 19.889 -8.906 12.404 1.00 0.41 H new ATOM 0 HA LYS B 73 21.190 -9.405 15.098 1.00 0.42 H new ATOM 0 HB2 LYS B 73 20.541 -7.033 14.760 1.00 0.45 H new ATOM 0 HB3 LYS B 73 19.026 -7.503 14.016 1.00 0.45 H new ATOM 0 HG2 LYS B 73 17.991 -7.748 16.041 1.00 0.45 H new ATOM 0 HG3 LYS B 73 19.308 -8.709 16.685 1.00 0.45 H new ATOM 0 HD2 LYS B 73 19.842 -5.772 16.303 1.00 0.55 H new ATOM 0 HD3 LYS B 73 18.738 -6.207 17.593 1.00 0.55 H new ATOM 0 HE2 LYS B 73 20.686 -6.495 18.825 1.00 0.57 H new ATOM 0 HE3 LYS B 73 20.749 -8.056 18.032 1.00 0.57 H new ATOM 0 HZ1 LYS B 73 22.785 -6.633 17.704 1.00 0.58 H new ATOM 0 HZ2 LYS B 73 22.065 -7.151 16.256 1.00 0.58 H new ATOM 0 HZ3 LYS B 73 21.833 -5.558 16.797 1.00 0.58 H new ATOM 2268 N LYS B 74 18.418 -10.471 13.792 1.00 0.35 N ATOM 2269 CA LYS B 74 17.320 -11.477 13.944 1.00 0.33 C ATOM 2270 C LYS B 74 16.261 -10.948 14.915 1.00 0.31 C ATOM 2271 O LYS B 74 15.076 -11.082 14.676 1.00 0.31 O ATOM 2272 CB LYS B 74 17.940 -12.781 14.479 1.00 0.35 C ATOM 2273 CG LYS B 74 19.265 -13.103 13.777 1.00 0.40 C ATOM 2274 CD LYS B 74 19.132 -12.947 12.265 1.00 0.35 C ATOM 2275 CE LYS B 74 18.480 -14.200 11.697 1.00 0.34 C ATOM 2276 NZ LYS B 74 19.582 -15.196 11.599 1.00 0.42 N ATOM 0 H LYS B 74 18.426 -9.992 12.892 1.00 0.35 H new ATOM 0 HA LYS B 74 16.836 -11.663 12.985 1.00 0.33 H new ATOM 0 HB2 LYS B 74 18.108 -12.692 15.552 1.00 0.35 H new ATOM 0 HB3 LYS B 74 17.240 -13.604 14.333 1.00 0.35 H new ATOM 0 HG2 LYS B 74 20.048 -12.441 14.147 1.00 0.40 H new ATOM 0 HG3 LYS B 74 19.570 -14.122 14.016 1.00 0.40 H new ATOM 0 HD2 LYS B 74 18.532 -12.069 12.028 1.00 0.35 H new ATOM 0 HD3 LYS B 74 20.112 -12.794 11.814 1.00 0.35 H new ATOM 0 HE2 LYS B 74 17.681 -14.558 12.346 1.00 0.34 H new ATOM 0 HE3 LYS B 74 18.035 -14.006 10.721 1.00 0.34 H new ATOM 0 HZ1 LYS B 74 19.204 -16.150 11.768 1.00 0.42 H new ATOM 0 HZ2 LYS B 74 20.004 -15.154 10.649 1.00 0.42 H new ATOM 0 HZ3 LYS B 74 20.309 -14.981 12.311 1.00 0.42 H new ATOM 2290 N SER B 75 16.673 -10.336 16.000 1.00 0.33 N ATOM 2291 CA SER B 75 15.683 -9.791 16.972 1.00 0.34 C ATOM 2292 C SER B 75 14.795 -8.777 16.259 1.00 0.33 C ATOM 2293 O SER B 75 13.601 -8.719 16.476 1.00 0.36 O ATOM 2294 CB SER B 75 16.515 -9.111 18.060 1.00 0.39 C ATOM 2295 OG SER B 75 15.925 -9.364 19.329 1.00 0.51 O ATOM 0 H SER B 75 17.651 -10.192 16.251 1.00 0.33 H new ATOM 0 HA SER B 75 15.036 -10.560 17.394 1.00 0.34 H new ATOM 0 HB2 SER B 75 17.538 -9.487 18.040 1.00 0.39 H new ATOM 0 HB3 SER B 75 16.566 -8.038 17.877 1.00 0.39 H new ATOM 0 HG SER B 75 16.457 -8.931 20.029 1.00 0.51 H new ATOM 2301 N LYS B 76 15.379 -7.994 15.391 1.00 0.34 N ATOM 2302 CA LYS B 76 14.591 -6.985 14.634 1.00 0.35 C ATOM 2303 C LYS B 76 13.828 -7.674 13.500 1.00 0.33 C ATOM 2304 O LYS B 76 12.659 -7.419 13.287 1.00 0.36 O ATOM 2305 CB LYS B 76 15.626 -6.011 14.075 1.00 0.43 C ATOM 2306 CG LYS B 76 14.922 -4.737 13.604 1.00 0.47 C ATOM 2307 CD LYS B 76 14.356 -3.985 14.812 1.00 0.68 C ATOM 2308 CE LYS B 76 12.849 -4.236 14.912 1.00 0.61 C ATOM 2309 NZ LYS B 76 12.226 -3.171 14.079 1.00 0.87 N ATOM 0 H LYS B 76 16.376 -8.012 15.174 1.00 0.34 H new ATOM 0 HA LYS B 76 13.854 -6.475 15.255 1.00 0.35 H new ATOM 0 HB2 LYS B 76 16.365 -5.770 14.839 1.00 0.43 H new ATOM 0 HB3 LYS B 76 16.163 -6.471 13.246 1.00 0.43 H new ATOM 0 HG2 LYS B 76 15.623 -4.101 13.063 1.00 0.47 H new ATOM 0 HG3 LYS B 76 14.119 -4.988 12.911 1.00 0.47 H new ATOM 0 HD2 LYS B 76 14.852 -4.316 15.724 1.00 0.68 H new ATOM 0 HD3 LYS B 76 14.551 -2.917 14.713 1.00 0.68 H new ATOM 0 HE2 LYS B 76 12.589 -5.228 14.544 1.00 0.61 H new ATOM 0 HE3 LYS B 76 12.507 -4.180 15.945 1.00 0.61 H new ATOM 0 HZ1 LYS B 76 11.197 -3.169 14.231 1.00 0.87 H new ATOM 0 HZ2 LYS B 76 12.617 -2.246 14.349 1.00 0.87 H new ATOM 0 HZ3 LYS B 76 12.428 -3.353 13.075 1.00 0.87 H new ATOM 2323 N ALA B 77 14.484 -8.552 12.779 1.00 0.31 N ATOM 2324 CA ALA B 77 13.802 -9.273 11.660 1.00 0.30 C ATOM 2325 C ALA B 77 12.633 -10.089 12.208 1.00 0.27 C ATOM 2326 O ALA B 77 11.516 -9.986 11.736 1.00 0.32 O ATOM 2327 CB ALA B 77 14.862 -10.203 11.067 1.00 0.33 C ATOM 0 H ALA B 77 15.464 -8.800 12.918 1.00 0.31 H new ATOM 0 HA ALA B 77 13.403 -8.587 10.913 1.00 0.30 H new ATOM 0 HB1 ALA B 77 14.431 -10.765 10.239 1.00 0.33 H new ATOM 0 HB2 ALA B 77 15.703 -9.612 10.705 1.00 0.33 H new ATOM 0 HB3 ALA B 77 15.208 -10.896 11.834 1.00 0.33 H new ATOM 2333 N ILE B 78 12.887 -10.896 13.206 1.00 0.25 N ATOM 2334 CA ILE B 78 11.798 -11.723 13.801 1.00 0.25 C ATOM 2335 C ILE B 78 10.689 -10.805 14.324 1.00 0.26 C ATOM 2336 O ILE B 78 9.519 -11.052 14.098 1.00 0.31 O ATOM 2337 CB ILE B 78 12.467 -12.512 14.932 1.00 0.27 C ATOM 2338 CG1 ILE B 78 13.473 -13.495 14.323 1.00 0.28 C ATOM 2339 CG2 ILE B 78 11.409 -13.291 15.718 1.00 0.34 C ATOM 2340 CD1 ILE B 78 14.589 -13.800 15.327 1.00 0.31 C ATOM 0 H ILE B 78 13.805 -11.017 13.635 1.00 0.25 H new ATOM 0 HA ILE B 78 11.331 -12.397 13.083 1.00 0.25 H new ATOM 0 HB ILE B 78 12.977 -11.824 15.606 1.00 0.27 H new ATOM 0 HG12 ILE B 78 12.966 -14.418 14.041 1.00 0.28 H new ATOM 0 HG13 ILE B 78 13.898 -13.074 13.412 1.00 0.28 H new ATOM 0 HG21 ILE B 78 11.890 -13.850 16.521 1.00 0.34 H new ATOM 0 HG22 ILE B 78 10.686 -12.595 16.143 1.00 0.34 H new ATOM 0 HG23 ILE B 78 10.896 -13.984 15.050 1.00 0.34 H new ATOM 0 HD11 ILE B 78 15.297 -14.499 14.883 1.00 0.31 H new ATOM 0 HD12 ILE B 78 15.106 -12.877 15.588 1.00 0.31 H new ATOM 0 HD13 ILE B 78 14.159 -14.241 16.226 1.00 0.31 H new ATOM 2352 N ASN B 79 11.044 -9.732 14.992 1.00 0.25 N ATOM 2353 CA ASN B 79 9.995 -8.790 15.487 1.00 0.28 C ATOM 2354 C ASN B 79 9.282 -8.179 14.282 1.00 0.29 C ATOM 2355 O ASN B 79 8.087 -7.954 14.298 1.00 0.31 O ATOM 2356 CB ASN B 79 10.741 -7.710 16.273 1.00 0.33 C ATOM 2357 CG ASN B 79 10.725 -8.061 17.762 1.00 0.39 C ATOM 2358 OD1 ASN B 79 9.673 -8.212 18.351 1.00 0.48 O ATOM 2359 ND2 ASN B 79 11.854 -8.199 18.402 1.00 0.43 N ATOM 0 H ASN B 79 12.005 -9.472 15.213 1.00 0.25 H new ATOM 0 HA ASN B 79 9.249 -9.281 16.113 1.00 0.28 H new ATOM 0 HB2 ASN B 79 11.769 -7.631 15.918 1.00 0.33 H new ATOM 0 HB3 ASN B 79 10.273 -6.739 16.112 1.00 0.33 H new ATOM 0 HD21 ASN B 79 11.852 -8.433 19.395 1.00 0.43 H new ATOM 0 HD22 ASN B 79 12.738 -8.073 17.909 1.00 0.43 H new ATOM 2366 N VAL B 80 10.020 -7.932 13.228 1.00 0.29 N ATOM 2367 CA VAL B 80 9.412 -7.359 11.993 1.00 0.30 C ATOM 2368 C VAL B 80 8.427 -8.374 11.410 1.00 0.28 C ATOM 2369 O VAL B 80 7.284 -8.057 11.138 1.00 0.30 O ATOM 2370 CB VAL B 80 10.599 -7.117 11.044 1.00 0.33 C ATOM 2371 CG1 VAL B 80 10.245 -7.555 9.622 1.00 0.34 C ATOM 2372 CG2 VAL B 80 10.949 -5.627 11.039 1.00 0.45 C ATOM 0 H VAL B 80 11.024 -8.105 13.172 1.00 0.29 H new ATOM 0 HA VAL B 80 8.858 -6.437 12.168 1.00 0.30 H new ATOM 0 HB VAL B 80 11.451 -7.700 11.392 1.00 0.33 H new ATOM 0 HG11 VAL B 80 11.096 -7.377 8.964 1.00 0.34 H new ATOM 0 HG12 VAL B 80 10.000 -8.617 9.619 1.00 0.34 H new ATOM 0 HG13 VAL B 80 9.387 -6.984 9.268 1.00 0.34 H new ATOM 0 HG21 VAL B 80 11.790 -5.453 10.367 1.00 0.45 H new ATOM 0 HG22 VAL B 80 10.088 -5.052 10.699 1.00 0.45 H new ATOM 0 HG23 VAL B 80 11.219 -5.313 12.047 1.00 0.45 H new ATOM 2382 N LEU B 81 8.867 -9.597 11.228 1.00 0.26 N ATOM 2383 CA LEU B 81 7.961 -10.648 10.675 1.00 0.26 C ATOM 2384 C LEU B 81 6.730 -10.778 11.570 1.00 0.28 C ATOM 2385 O LEU B 81 5.626 -10.973 11.098 1.00 0.33 O ATOM 2386 CB LEU B 81 8.782 -11.938 10.678 1.00 0.27 C ATOM 2387 CG LEU B 81 9.099 -12.337 9.234 1.00 0.33 C ATOM 2388 CD1 LEU B 81 10.506 -11.859 8.869 1.00 0.57 C ATOM 2389 CD2 LEU B 81 9.024 -13.859 9.092 1.00 0.41 C ATOM 0 H LEU B 81 9.814 -9.910 11.439 1.00 0.26 H new ATOM 0 HA LEU B 81 7.607 -10.412 9.671 1.00 0.26 H new ATOM 0 HB2 LEU B 81 9.705 -11.794 11.239 1.00 0.27 H new ATOM 0 HB3 LEU B 81 8.228 -12.735 11.175 1.00 0.27 H new ATOM 0 HG LEU B 81 8.373 -11.876 8.565 1.00 0.33 H new ATOM 0 HD11 LEU B 81 10.732 -12.143 7.841 1.00 0.57 H new ATOM 0 HD12 LEU B 81 10.558 -10.775 8.966 1.00 0.57 H new ATOM 0 HD13 LEU B 81 11.232 -12.318 9.540 1.00 0.57 H new ATOM 0 HD21 LEU B 81 9.250 -14.140 8.063 1.00 0.41 H new ATOM 0 HD22 LEU B 81 9.748 -14.323 9.762 1.00 0.41 H new ATOM 0 HD23 LEU B 81 8.021 -14.199 9.349 1.00 0.41 H new ATOM 2401 N ARG B 82 6.911 -10.643 12.859 1.00 0.27 N ATOM 2402 CA ARG B 82 5.748 -10.725 13.785 1.00 0.31 C ATOM 2403 C ARG B 82 4.849 -9.514 13.534 1.00 0.33 C ATOM 2404 O ARG B 82 3.635 -9.618 13.496 1.00 0.36 O ATOM 2405 CB ARG B 82 6.345 -10.677 15.193 1.00 0.36 C ATOM 2406 CG ARG B 82 5.480 -11.508 16.147 1.00 0.41 C ATOM 2407 CD ARG B 82 6.154 -12.859 16.411 1.00 0.48 C ATOM 2408 NE ARG B 82 6.202 -12.982 17.895 1.00 0.51 N ATOM 2409 CZ ARG B 82 7.052 -12.268 18.582 1.00 0.56 C ATOM 2410 NH1 ARG B 82 8.300 -12.199 18.208 1.00 0.65 N ATOM 2411 NH2 ARG B 82 6.653 -11.621 19.644 1.00 0.65 N ATOM 0 H ARG B 82 7.813 -10.480 13.307 1.00 0.27 H new ATOM 0 HA ARG B 82 5.150 -11.626 13.647 1.00 0.31 H new ATOM 0 HB2 ARG B 82 7.364 -11.063 15.180 1.00 0.36 H new ATOM 0 HB3 ARG B 82 6.400 -9.645 15.541 1.00 0.36 H new ATOM 0 HG2 ARG B 82 5.338 -10.972 17.085 1.00 0.41 H new ATOM 0 HG3 ARG B 82 4.491 -11.662 15.716 1.00 0.41 H new ATOM 0 HD2 ARG B 82 5.587 -13.677 15.965 1.00 0.48 H new ATOM 0 HD3 ARG B 82 7.154 -12.892 15.980 1.00 0.48 H new ATOM 0 HE ARG B 82 5.571 -13.624 18.374 1.00 0.51 H new ATOM 0 HH11 ARG B 82 8.612 -12.703 17.378 1.00 0.65 H new ATOM 0 HH12 ARG B 82 8.963 -11.641 18.745 1.00 0.65 H new ATOM 0 HH21 ARG B 82 5.677 -11.674 19.937 1.00 0.65 H new ATOM 0 HH22 ARG B 82 7.317 -11.063 20.181 1.00 0.65 H new ATOM 2425 N GLY B 83 5.453 -8.368 13.335 1.00 0.33 N ATOM 2426 CA GLY B 83 4.663 -7.137 13.056 1.00 0.37 C ATOM 2427 C GLY B 83 3.947 -7.318 11.720 1.00 0.34 C ATOM 2428 O GLY B 83 2.808 -6.922 11.558 1.00 0.36 O ATOM 0 H GLY B 83 6.464 -8.236 13.355 1.00 0.33 H new ATOM 0 HA2 GLY B 83 3.941 -6.961 13.853 1.00 0.37 H new ATOM 0 HA3 GLY B 83 5.317 -6.266 13.021 1.00 0.37 H new ATOM 2432 N PHE B 84 4.605 -7.935 10.766 1.00 0.34 N ATOM 2433 CA PHE B 84 3.960 -8.169 9.440 1.00 0.34 C ATOM 2434 C PHE B 84 2.704 -9.017 9.646 1.00 0.33 C ATOM 2435 O PHE B 84 1.686 -8.801 9.017 1.00 0.37 O ATOM 2436 CB PHE B 84 4.994 -8.935 8.605 1.00 0.33 C ATOM 2437 CG PHE B 84 5.938 -7.979 7.919 1.00 0.32 C ATOM 2438 CD1 PHE B 84 5.456 -6.811 7.317 1.00 0.63 C ATOM 2439 CD2 PHE B 84 7.305 -8.275 7.873 1.00 0.42 C ATOM 2440 CE1 PHE B 84 6.341 -5.942 6.676 1.00 0.72 C ATOM 2441 CE2 PHE B 84 8.187 -7.407 7.229 1.00 0.40 C ATOM 2442 CZ PHE B 84 7.706 -6.242 6.633 1.00 0.45 C ATOM 0 H PHE B 84 5.559 -8.285 10.851 1.00 0.34 H new ATOM 0 HA PHE B 84 3.666 -7.243 8.946 1.00 0.34 H new ATOM 0 HB2 PHE B 84 5.557 -9.613 9.247 1.00 0.33 H new ATOM 0 HB3 PHE B 84 4.486 -9.549 7.861 1.00 0.33 H new ATOM 0 HD1 PHE B 84 4.401 -6.582 7.348 1.00 0.63 H new ATOM 0 HD2 PHE B 84 7.678 -9.176 8.337 1.00 0.42 H new ATOM 0 HE1 PHE B 84 5.971 -5.039 6.214 1.00 0.72 H new ATOM 0 HE2 PHE B 84 9.242 -7.637 7.192 1.00 0.40 H new ATOM 0 HZ PHE B 84 8.390 -5.569 6.137 1.00 0.45 H new ATOM 2452 N ARG B 85 2.771 -9.968 10.546 1.00 0.31 N ATOM 2453 CA ARG B 85 1.583 -10.825 10.826 1.00 0.33 C ATOM 2454 C ARG B 85 0.445 -9.945 11.340 1.00 0.33 C ATOM 2455 O ARG B 85 -0.681 -10.041 10.892 1.00 0.37 O ATOM 2456 CB ARG B 85 2.039 -11.806 11.908 1.00 0.37 C ATOM 2457 CG ARG B 85 1.213 -13.093 11.817 1.00 0.45 C ATOM 2458 CD ARG B 85 0.442 -13.301 13.123 1.00 0.63 C ATOM 2459 NE ARG B 85 -0.914 -12.743 12.861 1.00 0.65 N ATOM 2460 CZ ARG B 85 -1.773 -13.419 12.150 1.00 1.15 C ATOM 2461 NH1 ARG B 85 -1.959 -14.689 12.385 1.00 1.39 N ATOM 2462 NH2 ARG B 85 -2.447 -12.825 11.204 1.00 1.87 N ATOM 0 H ARG B 85 3.600 -10.186 11.098 1.00 0.31 H new ATOM 0 HA ARG B 85 1.222 -11.351 9.942 1.00 0.33 H new ATOM 0 HB2 ARG B 85 3.098 -12.032 11.785 1.00 0.37 H new ATOM 0 HB3 ARG B 85 1.922 -11.356 12.894 1.00 0.37 H new ATOM 0 HG2 ARG B 85 0.519 -13.033 10.979 1.00 0.45 H new ATOM 0 HG3 ARG B 85 1.867 -13.945 11.629 1.00 0.45 H new ATOM 0 HD2 ARG B 85 0.390 -14.357 13.387 1.00 0.63 H new ATOM 0 HD3 ARG B 85 0.927 -12.788 13.954 1.00 0.63 H new ATOM 0 HE ARG B 85 -1.171 -11.831 13.238 1.00 0.65 H new ATOM 0 HH11 ARG B 85 -1.432 -15.153 13.125 1.00 1.39 H new ATOM 0 HH12 ARG B 85 -2.631 -15.218 11.829 1.00 1.39 H new ATOM 0 HH21 ARG B 85 -2.302 -11.832 11.021 1.00 1.87 H new ATOM 0 HH22 ARG B 85 -3.119 -13.353 10.648 1.00 1.87 H new ATOM 2476 N LYS B 86 0.740 -9.070 12.268 1.00 0.35 N ATOM 2477 CA LYS B 86 -0.315 -8.159 12.800 1.00 0.37 C ATOM 2478 C LYS B 86 -0.752 -7.197 11.695 1.00 0.35 C ATOM 2479 O LYS B 86 -1.891 -6.769 11.642 1.00 0.42 O ATOM 2480 CB LYS B 86 0.347 -7.400 13.951 1.00 0.43 C ATOM 2481 CG LYS B 86 -0.103 -7.999 15.286 1.00 0.51 C ATOM 2482 CD LYS B 86 0.543 -9.375 15.477 1.00 0.53 C ATOM 2483 CE LYS B 86 -0.488 -10.474 15.200 1.00 0.41 C ATOM 2484 NZ LYS B 86 -1.373 -10.483 16.398 1.00 0.49 N ATOM 0 H LYS B 86 1.666 -8.948 12.679 1.00 0.35 H new ATOM 0 HA LYS B 86 -1.202 -8.694 13.139 1.00 0.37 H new ATOM 0 HB2 LYS B 86 1.432 -7.458 13.862 1.00 0.43 H new ATOM 0 HB3 LYS B 86 0.079 -6.344 13.906 1.00 0.43 H new ATOM 0 HG2 LYS B 86 0.178 -7.338 16.106 1.00 0.51 H new ATOM 0 HG3 LYS B 86 -1.189 -8.090 15.307 1.00 0.51 H new ATOM 0 HD2 LYS B 86 1.394 -9.484 14.805 1.00 0.53 H new ATOM 0 HD3 LYS B 86 0.925 -9.470 16.493 1.00 0.53 H new ATOM 0 HE2 LYS B 86 -1.054 -10.264 14.293 1.00 0.41 H new ATOM 0 HE3 LYS B 86 -0.006 -11.441 15.058 1.00 0.41 H new ATOM 0 HZ1 LYS B 86 -1.335 -11.418 16.851 1.00 0.49 H new ATOM 0 HZ2 LYS B 86 -1.052 -9.759 17.072 1.00 0.49 H new ATOM 0 HZ3 LYS B 86 -2.351 -10.278 16.109 1.00 0.49 H new ATOM 2498 N GLU B 87 0.149 -6.870 10.801 1.00 0.33 N ATOM 2499 CA GLU B 87 -0.200 -5.949 9.681 1.00 0.33 C ATOM 2500 C GLU B 87 -1.094 -6.682 8.680 1.00 0.33 C ATOM 2501 O GLU B 87 -2.047 -6.128 8.165 1.00 0.34 O ATOM 2502 CB GLU B 87 1.137 -5.574 9.039 1.00 0.36 C ATOM 2503 CG GLU B 87 1.619 -4.238 9.608 1.00 0.38 C ATOM 2504 CD GLU B 87 2.807 -3.731 8.788 1.00 0.37 C ATOM 2505 OE1 GLU B 87 3.798 -4.440 8.717 1.00 0.44 O ATOM 2506 OE2 GLU B 87 2.707 -2.643 8.246 1.00 0.43 O ATOM 0 H GLU B 87 1.113 -7.204 10.801 1.00 0.33 H new ATOM 0 HA GLU B 87 -0.743 -5.065 10.016 1.00 0.33 H new ATOM 0 HB2 GLU B 87 1.876 -6.352 9.232 1.00 0.36 H new ATOM 0 HB3 GLU B 87 1.026 -5.502 7.957 1.00 0.36 H new ATOM 0 HG2 GLU B 87 0.810 -3.508 9.585 1.00 0.38 H new ATOM 0 HG3 GLU B 87 1.909 -4.359 10.652 1.00 0.38 H new ATOM 2513 N ILE B 88 -0.798 -7.931 8.414 1.00 0.35 N ATOM 2514 CA ILE B 88 -1.637 -8.711 7.460 1.00 0.36 C ATOM 2515 C ILE B 88 -3.003 -8.982 8.101 1.00 0.36 C ATOM 2516 O ILE B 88 -4.034 -8.855 7.465 1.00 0.38 O ATOM 2517 CB ILE B 88 -0.834 -10.003 7.184 1.00 0.39 C ATOM 2518 CG1 ILE B 88 -0.896 -10.325 5.688 1.00 0.47 C ATOM 2519 CG2 ILE B 88 -1.382 -11.199 7.979 1.00 0.42 C ATOM 2520 CD1 ILE B 88 0.481 -10.792 5.213 1.00 0.50 C ATOM 0 H ILE B 88 -0.012 -8.441 8.817 1.00 0.35 H new ATOM 0 HA ILE B 88 -1.840 -8.190 6.524 1.00 0.36 H new ATOM 0 HB ILE B 88 0.195 -9.832 7.500 1.00 0.39 H new ATOM 0 HG12 ILE B 88 -1.640 -11.100 5.502 1.00 0.47 H new ATOM 0 HG13 ILE B 88 -1.207 -9.444 5.127 1.00 0.47 H new ATOM 0 HG21 ILE B 88 -0.789 -12.086 7.756 1.00 0.42 H new ATOM 0 HG22 ILE B 88 -1.325 -10.983 9.046 1.00 0.42 H new ATOM 0 HG23 ILE B 88 -2.420 -11.377 7.700 1.00 0.42 H new ATOM 0 HD11 ILE B 88 0.440 -11.022 4.148 1.00 0.50 H new ATOM 0 HD12 ILE B 88 1.212 -10.003 5.386 1.00 0.50 H new ATOM 0 HD13 ILE B 88 0.773 -11.685 5.766 1.00 0.50 H new ATOM 2532 N GLY B 89 -3.012 -9.331 9.366 1.00 0.37 N ATOM 2533 CA GLY B 89 -4.304 -9.587 10.068 1.00 0.40 C ATOM 2534 C GLY B 89 -5.137 -8.310 10.019 1.00 0.39 C ATOM 2535 O GLY B 89 -6.347 -8.345 9.899 1.00 0.43 O ATOM 0 H GLY B 89 -2.178 -9.449 9.941 1.00 0.37 H new ATOM 0 HA2 GLY B 89 -4.839 -10.408 9.591 1.00 0.40 H new ATOM 0 HA3 GLY B 89 -4.123 -9.883 11.101 1.00 0.40 H new ATOM 2539 N ARG B 90 -4.484 -7.178 10.089 1.00 0.37 N ATOM 2540 CA ARG B 90 -5.217 -5.884 10.024 1.00 0.40 C ATOM 2541 C ARG B 90 -5.766 -5.687 8.611 1.00 0.36 C ATOM 2542 O ARG B 90 -6.858 -5.179 8.425 1.00 0.35 O ATOM 2543 CB ARG B 90 -4.172 -4.815 10.341 1.00 0.42 C ATOM 2544 CG ARG B 90 -4.290 -4.397 11.806 1.00 0.50 C ATOM 2545 CD ARG B 90 -3.264 -3.303 12.101 1.00 0.59 C ATOM 2546 NE ARG B 90 -3.936 -2.394 13.070 1.00 0.78 N ATOM 2547 CZ ARG B 90 -3.477 -2.282 14.287 1.00 0.77 C ATOM 2548 NH1 ARG B 90 -3.583 -3.281 15.120 1.00 0.94 N ATOM 2549 NH2 ARG B 90 -2.912 -1.170 14.670 1.00 1.19 N ATOM 0 H ARG B 90 -3.472 -7.097 10.189 1.00 0.37 H new ATOM 0 HA ARG B 90 -6.058 -5.842 10.717 1.00 0.40 H new ATOM 0 HB2 ARG B 90 -3.172 -5.200 10.142 1.00 0.42 H new ATOM 0 HB3 ARG B 90 -4.315 -3.950 9.693 1.00 0.42 H new ATOM 0 HG2 ARG B 90 -5.297 -4.033 12.013 1.00 0.50 H new ATOM 0 HG3 ARG B 90 -4.121 -5.255 12.456 1.00 0.50 H new ATOM 0 HD2 ARG B 90 -2.350 -3.722 12.522 1.00 0.59 H new ATOM 0 HD3 ARG B 90 -2.982 -2.772 11.192 1.00 0.59 H new ATOM 0 HE ARG B 90 -4.755 -1.859 12.783 1.00 0.78 H new ATOM 0 HH11 ARG B 90 -4.025 -4.150 14.820 1.00 0.94 H new ATOM 0 HH12 ARG B 90 -3.224 -3.193 16.071 1.00 0.94 H new ATOM 0 HH21 ARG B 90 -2.829 -0.389 14.019 1.00 1.19 H new ATOM 0 HH22 ARG B 90 -2.553 -1.081 15.621 1.00 1.19 H new ATOM 2563 N MET B 91 -5.020 -6.111 7.614 1.00 0.36 N ATOM 2564 CA MET B 91 -5.493 -5.970 6.208 1.00 0.35 C ATOM 2565 C MET B 91 -6.807 -6.721 6.072 1.00 0.33 C ATOM 2566 O MET B 91 -7.726 -6.281 5.409 1.00 0.32 O ATOM 2567 CB MET B 91 -4.401 -6.608 5.345 1.00 0.39 C ATOM 2568 CG MET B 91 -4.234 -5.804 4.052 1.00 0.63 C ATOM 2569 SD MET B 91 -3.173 -6.718 2.906 1.00 0.76 S ATOM 2570 CE MET B 91 -1.613 -6.463 3.788 1.00 0.55 C ATOM 0 H MET B 91 -4.104 -6.548 7.720 1.00 0.36 H new ATOM 0 HA MET B 91 -5.664 -4.936 5.909 1.00 0.35 H new ATOM 0 HB2 MET B 91 -3.459 -6.635 5.893 1.00 0.39 H new ATOM 0 HB3 MET B 91 -4.664 -7.640 5.112 1.00 0.39 H new ATOM 0 HG2 MET B 91 -5.207 -5.622 3.596 1.00 0.63 H new ATOM 0 HG3 MET B 91 -3.797 -4.830 4.271 1.00 0.63 H new ATOM 0 HE1 MET B 91 -0.977 -5.788 3.215 1.00 0.55 H new ATOM 0 HE2 MET B 91 -1.815 -6.028 4.767 1.00 0.55 H new ATOM 0 HE3 MET B 91 -1.106 -7.419 3.914 1.00 0.55 H new ATOM 2580 N LEU B 92 -6.903 -7.841 6.735 1.00 0.35 N ATOM 2581 CA LEU B 92 -8.162 -8.626 6.696 1.00 0.37 C ATOM 2582 C LEU B 92 -9.243 -7.834 7.400 1.00 0.34 C ATOM 2583 O LEU B 92 -10.358 -7.743 6.928 1.00 0.35 O ATOM 2584 CB LEU B 92 -7.842 -9.917 7.421 1.00 0.43 C ATOM 2585 CG LEU B 92 -6.801 -10.653 6.594 1.00 0.45 C ATOM 2586 CD1 LEU B 92 -5.899 -11.483 7.511 1.00 0.51 C ATOM 2587 CD2 LEU B 92 -7.502 -11.571 5.587 1.00 0.51 C ATOM 0 H LEU B 92 -6.159 -8.245 7.303 1.00 0.35 H new ATOM 0 HA LEU B 92 -8.521 -8.834 5.688 1.00 0.37 H new ATOM 0 HB2 LEU B 92 -7.463 -9.712 8.422 1.00 0.43 H new ATOM 0 HB3 LEU B 92 -8.739 -10.525 7.538 1.00 0.43 H new ATOM 0 HG LEU B 92 -6.190 -9.927 6.057 1.00 0.45 H new ATOM 0 HD11 LEU B 92 -5.155 -12.008 6.912 1.00 0.51 H new ATOM 0 HD12 LEU B 92 -5.396 -10.825 8.219 1.00 0.51 H new ATOM 0 HD13 LEU B 92 -6.503 -12.208 8.056 1.00 0.51 H new ATOM 0 HD21 LEU B 92 -6.755 -12.099 4.994 1.00 0.51 H new ATOM 0 HD22 LEU B 92 -8.118 -12.294 6.121 1.00 0.51 H new ATOM 0 HD23 LEU B 92 -8.133 -10.974 4.928 1.00 0.51 H new ATOM 2599 N ASN B 93 -8.903 -7.216 8.505 1.00 0.35 N ATOM 2600 CA ASN B 93 -9.899 -6.372 9.221 1.00 0.36 C ATOM 2601 C ASN B 93 -10.458 -5.356 8.223 1.00 0.33 C ATOM 2602 O ASN B 93 -11.580 -4.902 8.342 1.00 0.41 O ATOM 2603 CB ASN B 93 -9.116 -5.672 10.332 1.00 0.42 C ATOM 2604 CG ASN B 93 -9.984 -5.576 11.588 1.00 0.61 C ATOM 2605 OD1 ASN B 93 -10.747 -4.643 11.743 1.00 0.88 O ATOM 2606 ND2 ASN B 93 -9.898 -6.507 12.498 1.00 0.78 N ATOM 0 H ASN B 93 -7.981 -7.262 8.938 1.00 0.35 H new ATOM 0 HA ASN B 93 -10.732 -6.939 9.636 1.00 0.36 H new ATOM 0 HB2 ASN B 93 -8.202 -6.224 10.550 1.00 0.42 H new ATOM 0 HB3 ASN B 93 -8.816 -4.676 10.008 1.00 0.42 H new ATOM 0 HD21 ASN B 93 -10.471 -6.452 13.340 1.00 0.78 H new ATOM 0 HD22 ASN B 93 -9.257 -7.290 12.368 1.00 0.78 H new ATOM 2613 N ILE B 94 -9.673 -5.023 7.222 1.00 0.29 N ATOM 2614 CA ILE B 94 -10.145 -4.062 6.185 1.00 0.30 C ATOM 2615 C ILE B 94 -10.961 -4.795 5.115 1.00 0.29 C ATOM 2616 O ILE B 94 -11.954 -4.279 4.638 1.00 0.36 O ATOM 2617 CB ILE B 94 -8.893 -3.449 5.541 1.00 0.33 C ATOM 2618 CG1 ILE B 94 -7.823 -3.175 6.611 1.00 0.38 C ATOM 2619 CG2 ILE B 94 -9.287 -2.142 4.843 1.00 0.40 C ATOM 2620 CD1 ILE B 94 -6.951 -1.981 6.205 1.00 0.50 C ATOM 0 H ILE B 94 -8.727 -5.378 7.083 1.00 0.29 H new ATOM 0 HA ILE B 94 -10.779 -3.296 6.631 1.00 0.30 H new ATOM 0 HB ILE B 94 -8.478 -4.146 4.813 1.00 0.33 H new ATOM 0 HG12 ILE B 94 -8.302 -2.974 7.569 1.00 0.38 H new ATOM 0 HG13 ILE B 94 -7.200 -4.059 6.745 1.00 0.38 H new ATOM 0 HG21 ILE B 94 -8.406 -1.696 4.381 1.00 0.40 H new ATOM 0 HG22 ILE B 94 -10.033 -2.350 4.076 1.00 0.40 H new ATOM 0 HG23 ILE B 94 -9.703 -1.450 5.575 1.00 0.40 H new ATOM 0 HD11 ILE B 94 -6.199 -1.801 6.974 1.00 0.50 H new ATOM 0 HD12 ILE B 94 -6.457 -2.197 5.258 1.00 0.50 H new ATOM 0 HD13 ILE B 94 -7.576 -1.095 6.095 1.00 0.50 H new ATOM 2632 N LEU B 95 -10.554 -5.985 4.713 1.00 0.25 N ATOM 2633 CA LEU B 95 -11.340 -6.695 3.650 1.00 0.27 C ATOM 2634 C LEU B 95 -12.360 -7.665 4.264 1.00 0.35 C ATOM 2635 O LEU B 95 -12.906 -8.510 3.580 1.00 0.54 O ATOM 2636 CB LEU B 95 -10.317 -7.442 2.791 1.00 0.34 C ATOM 2637 CG LEU B 95 -9.498 -8.394 3.656 1.00 0.39 C ATOM 2638 CD1 LEU B 95 -9.916 -9.837 3.374 1.00 0.57 C ATOM 2639 CD2 LEU B 95 -8.013 -8.217 3.329 1.00 0.47 C ATOM 0 H LEU B 95 -9.735 -6.481 5.065 1.00 0.25 H new ATOM 0 HA LEU B 95 -11.917 -5.989 3.053 1.00 0.27 H new ATOM 0 HB2 LEU B 95 -10.828 -8.000 2.007 1.00 0.34 H new ATOM 0 HB3 LEU B 95 -9.657 -6.729 2.296 1.00 0.34 H new ATOM 0 HG LEU B 95 -9.672 -8.171 4.709 1.00 0.39 H new ATOM 0 HD11 LEU B 95 -9.328 -10.514 3.994 1.00 0.57 H new ATOM 0 HD12 LEU B 95 -10.974 -9.961 3.604 1.00 0.57 H new ATOM 0 HD13 LEU B 95 -9.744 -10.067 2.322 1.00 0.57 H new ATOM 0 HD21 LEU B 95 -7.422 -8.895 3.944 1.00 0.47 H new ATOM 0 HD22 LEU B 95 -7.843 -8.441 2.276 1.00 0.47 H new ATOM 0 HD23 LEU B 95 -7.715 -7.189 3.534 1.00 0.47 H new ATOM 2651 N ASN B 96 -12.637 -7.535 5.540 1.00 0.31 N ATOM 2652 CA ASN B 96 -13.641 -8.434 6.194 1.00 0.41 C ATOM 2653 C ASN B 96 -14.856 -7.618 6.652 1.00 0.49 C ATOM 2654 O ASN B 96 -15.877 -8.166 7.023 1.00 0.63 O ATOM 2655 CB ASN B 96 -12.927 -9.044 7.402 1.00 0.41 C ATOM 2656 CG ASN B 96 -12.116 -10.264 6.958 1.00 0.55 C ATOM 2657 OD1 ASN B 96 -11.193 -10.125 6.046 1.00 0.69 O flip ATOM 2658 ND2 ASN B 96 -12.324 -11.357 7.447 1.00 0.65 N flip ATOM 0 H ASN B 96 -12.210 -6.844 6.157 1.00 0.31 H new ATOM 0 HA ASN B 96 -14.002 -9.203 5.511 1.00 0.41 H new ATOM 0 HB2 ASN B 96 -12.270 -8.305 7.860 1.00 0.41 H new ATOM 0 HB3 ASN B 96 -13.655 -9.335 8.159 1.00 0.41 H new ATOM 0 HD21 ASN B 96 -13.045 -11.468 8.160 1.00 0.65 H new ATOM 0 HD22 ASN B 96 -11.778 -12.163 7.144 1.00 0.65 H new