USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 0.0306 (180deg=-0.106) USER MOD Single : A 48 MET CE :methyl -163:sc= -3.56! (180deg=-4.72!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.226 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 136:sc= -1.49 (180deg=-2.68) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.757 F(o=-1.9,f=-0.76) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -96:sc= -0.908 (180deg=-2.04) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.209 F(o=-1.9,f=-0.21) USER MOD Single : B 45 LYS NZ :NH3+ -166:sc= 0.0435 (180deg=-0.134) USER MOD Single : B 48 MET CE :methyl -164:sc= -3.53! (180deg=-4.74!) USER MOD Single : B 58 THR OG1 : rot 180:sc= -0.229 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 LYS NZ :NH3+ 144:sc= -1.5 (180deg=-2.7) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN :FLIP amide:sc= -0.736 F(o=-1.8,f=-0.74) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 MET CE :methyl -99:sc= -0.923 (180deg=-2.11) USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 96 ASN :FLIP amide:sc= -0.23 F(o=-1.9,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 357 N PRO A 43 -1.211 -18.370 -7.402 1.00 0.36 N ATOM 358 CA PRO A 43 -1.052 -17.568 -6.173 1.00 0.34 C ATOM 359 C PRO A 43 -2.026 -16.385 -6.150 1.00 0.28 C ATOM 360 O PRO A 43 -2.711 -16.155 -5.171 1.00 0.33 O ATOM 361 CB PRO A 43 0.383 -17.066 -6.279 1.00 0.37 C ATOM 362 CG PRO A 43 0.709 -17.062 -7.747 1.00 0.39 C ATOM 363 CD PRO A 43 -0.329 -17.890 -8.468 1.00 0.39 C ATOM 0 HA PRO A 43 -1.255 -18.138 -5.266 1.00 0.34 H new ATOM 0 HB2 PRO A 43 0.480 -16.067 -5.854 1.00 0.37 H new ATOM 0 HB3 PRO A 43 1.065 -17.714 -5.729 1.00 0.37 H new ATOM 0 HG2 PRO A 43 0.715 -16.042 -8.132 1.00 0.39 H new ATOM 0 HG3 PRO A 43 1.705 -17.472 -7.915 1.00 0.39 H new ATOM 0 HD2 PRO A 43 -0.876 -17.294 -9.199 1.00 0.39 H new ATOM 0 HD3 PRO A 43 0.128 -18.718 -9.009 1.00 0.39 H new ATOM 371 N LEU A 44 -2.066 -15.619 -7.213 1.00 0.26 N ATOM 372 CA LEU A 44 -2.964 -14.424 -7.267 1.00 0.26 C ATOM 373 C LEU A 44 -2.627 -13.458 -6.127 1.00 0.24 C ATOM 374 O LEU A 44 -3.413 -12.600 -5.774 1.00 0.30 O ATOM 375 CB LEU A 44 -4.392 -14.951 -7.118 1.00 0.34 C ATOM 376 CG LEU A 44 -5.367 -13.857 -7.564 1.00 0.49 C ATOM 377 CD1 LEU A 44 -6.393 -14.440 -8.542 1.00 0.81 C ATOM 378 CD2 LEU A 44 -6.093 -13.276 -6.343 1.00 0.73 C ATOM 0 H LEU A 44 -1.509 -15.773 -8.054 1.00 0.26 H new ATOM 0 HA LEU A 44 -2.843 -13.878 -8.202 1.00 0.26 H new ATOM 0 HB2 LEU A 44 -4.529 -15.848 -7.722 1.00 0.34 H new ATOM 0 HB3 LEU A 44 -4.586 -15.231 -6.082 1.00 0.34 H new ATOM 0 HG LEU A 44 -4.807 -13.065 -8.061 1.00 0.49 H new ATOM 0 HD11 LEU A 44 -7.083 -13.657 -8.855 1.00 0.81 H new ATOM 0 HD12 LEU A 44 -5.877 -14.839 -9.415 1.00 0.81 H new ATOM 0 HD13 LEU A 44 -6.949 -15.239 -8.052 1.00 0.81 H new ATOM 0 HD21 LEU A 44 -6.785 -12.499 -6.667 1.00 0.73 H new ATOM 0 HD22 LEU A 44 -6.647 -14.068 -5.838 1.00 0.73 H new ATOM 0 HD23 LEU A 44 -5.363 -12.849 -5.655 1.00 0.73 H new ATOM 390 N LYS A 45 -1.455 -13.589 -5.562 1.00 0.24 N ATOM 391 CA LYS A 45 -1.043 -12.679 -4.453 1.00 0.24 C ATOM 392 C LYS A 45 -0.331 -11.452 -5.029 1.00 0.23 C ATOM 393 O LYS A 45 -0.274 -10.415 -4.407 1.00 0.31 O ATOM 394 CB LYS A 45 -0.099 -13.506 -3.575 1.00 0.26 C ATOM 395 CG LYS A 45 1.147 -13.912 -4.369 1.00 0.27 C ATOM 396 CD LYS A 45 1.641 -15.276 -3.879 1.00 0.30 C ATOM 397 CE LYS A 45 2.065 -15.174 -2.412 1.00 0.32 C ATOM 398 NZ LYS A 45 2.549 -16.537 -2.057 1.00 0.30 N ATOM 0 H LYS A 45 -0.762 -14.291 -5.823 1.00 0.24 H new ATOM 0 HA LYS A 45 -1.892 -12.312 -3.877 1.00 0.24 H new ATOM 0 HB2 LYS A 45 0.193 -12.928 -2.698 1.00 0.26 H new ATOM 0 HB3 LYS A 45 -0.614 -14.396 -3.213 1.00 0.26 H new ATOM 0 HG2 LYS A 45 0.915 -13.958 -5.433 1.00 0.27 H new ATOM 0 HG3 LYS A 45 1.930 -13.164 -4.246 1.00 0.27 H new ATOM 0 HD2 LYS A 45 0.852 -16.020 -3.989 1.00 0.30 H new ATOM 0 HD3 LYS A 45 2.481 -15.610 -4.488 1.00 0.30 H new ATOM 0 HE2 LYS A 45 2.849 -14.429 -2.278 1.00 0.32 H new ATOM 0 HE3 LYS A 45 1.230 -14.874 -1.779 1.00 0.32 H new ATOM 0 HZ1 LYS A 45 2.552 -16.646 -1.023 1.00 0.30 H new ATOM 0 HZ2 LYS A 45 1.919 -17.250 -2.478 1.00 0.30 H new ATOM 0 HZ3 LYS A 45 3.514 -16.669 -2.422 1.00 0.30 H new ATOM 412 N LEU A 46 0.210 -11.583 -6.219 1.00 0.20 N ATOM 413 CA LEU A 46 0.929 -10.450 -6.893 1.00 0.22 C ATOM 414 C LEU A 46 0.285 -9.087 -6.573 1.00 0.22 C ATOM 415 O LEU A 46 0.971 -8.127 -6.268 1.00 0.25 O ATOM 416 CB LEU A 46 0.787 -10.754 -8.392 1.00 0.24 C ATOM 417 CG LEU A 46 2.145 -10.636 -9.094 1.00 0.32 C ATOM 418 CD1 LEU A 46 2.772 -9.269 -8.800 1.00 0.42 C ATOM 419 CD2 LEU A 46 3.072 -11.748 -8.597 1.00 0.40 C ATOM 0 H LEU A 46 0.183 -12.445 -6.763 1.00 0.20 H new ATOM 0 HA LEU A 46 1.964 -10.379 -6.559 1.00 0.22 H new ATOM 0 HB2 LEU A 46 0.386 -11.758 -8.529 1.00 0.24 H new ATOM 0 HB3 LEU A 46 0.076 -10.062 -8.844 1.00 0.24 H new ATOM 0 HG LEU A 46 2.002 -10.734 -10.170 1.00 0.32 H new ATOM 0 HD11 LEU A 46 3.736 -9.195 -9.303 1.00 0.42 H new ATOM 0 HD12 LEU A 46 2.112 -8.481 -9.162 1.00 0.42 H new ATOM 0 HD13 LEU A 46 2.914 -9.158 -7.725 1.00 0.42 H new ATOM 0 HD21 LEU A 46 4.038 -11.666 -9.095 1.00 0.40 H new ATOM 0 HD22 LEU A 46 3.210 -11.653 -7.520 1.00 0.40 H new ATOM 0 HD23 LEU A 46 2.629 -12.718 -8.822 1.00 0.40 H new ATOM 431 N PHE A 47 -1.025 -9.003 -6.627 1.00 0.21 N ATOM 432 CA PHE A 47 -1.710 -7.710 -6.324 1.00 0.23 C ATOM 433 C PHE A 47 -1.645 -7.459 -4.824 1.00 0.23 C ATOM 434 O PHE A 47 -1.304 -6.382 -4.371 1.00 0.26 O ATOM 435 CB PHE A 47 -3.162 -7.905 -6.791 1.00 0.24 C ATOM 436 CG PHE A 47 -4.084 -6.962 -6.044 1.00 0.26 C ATOM 437 CD1 PHE A 47 -3.776 -5.598 -5.959 1.00 0.30 C ATOM 438 CD2 PHE A 47 -5.243 -7.456 -5.432 1.00 0.32 C ATOM 439 CE1 PHE A 47 -4.627 -4.730 -5.264 1.00 0.36 C ATOM 440 CE2 PHE A 47 -6.092 -6.587 -4.735 1.00 0.37 C ATOM 441 CZ PHE A 47 -5.784 -5.225 -4.652 1.00 0.38 C ATOM 0 H PHE A 47 -1.646 -9.775 -6.868 1.00 0.21 H new ATOM 0 HA PHE A 47 -1.252 -6.854 -6.819 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -3.234 -7.722 -7.863 1.00 0.24 H new ATOM 0 HB3 PHE A 47 -3.471 -8.937 -6.622 1.00 0.24 H new ATOM 0 HD1 PHE A 47 -2.882 -5.216 -6.430 1.00 0.30 H new ATOM 0 HD2 PHE A 47 -5.482 -8.507 -5.498 1.00 0.32 H new ATOM 0 HE1 PHE A 47 -4.390 -3.678 -5.200 1.00 0.36 H new ATOM 0 HE2 PHE A 47 -6.985 -6.969 -4.262 1.00 0.37 H new ATOM 0 HZ PHE A 47 -6.439 -4.555 -4.115 1.00 0.38 H new ATOM 451 N MET A 48 -1.966 -8.461 -4.059 1.00 0.27 N ATOM 452 CA MET A 48 -1.926 -8.326 -2.580 1.00 0.32 C ATOM 453 C MET A 48 -0.517 -7.946 -2.129 1.00 0.28 C ATOM 454 O MET A 48 -0.319 -6.933 -1.497 1.00 0.29 O ATOM 455 CB MET A 48 -2.301 -9.711 -2.054 1.00 0.44 C ATOM 456 CG MET A 48 -3.320 -9.566 -0.928 1.00 0.64 C ATOM 457 SD MET A 48 -4.940 -10.145 -1.487 1.00 0.48 S ATOM 458 CE MET A 48 -5.129 -8.984 -2.860 1.00 0.46 C ATOM 0 H MET A 48 -2.257 -9.377 -4.399 1.00 0.27 H new ATOM 0 HA MET A 48 -2.599 -7.552 -2.212 1.00 0.32 H new ATOM 0 HB2 MET A 48 -2.716 -10.318 -2.859 1.00 0.44 H new ATOM 0 HB3 MET A 48 -1.412 -10.227 -1.691 1.00 0.44 H new ATOM 0 HG2 MET A 48 -2.999 -10.140 -0.059 1.00 0.64 H new ATOM 0 HG3 MET A 48 -3.384 -8.524 -0.616 1.00 0.64 H new ATOM 0 HE1 MET A 48 -6.175 -8.949 -3.166 1.00 0.46 H new ATOM 0 HE2 MET A 48 -4.810 -7.991 -2.543 1.00 0.46 H new ATOM 0 HE3 MET A 48 -4.516 -9.311 -3.700 1.00 0.46 H new ATOM 468 N ALA A 49 0.455 -8.763 -2.456 1.00 0.31 N ATOM 469 CA ALA A 49 1.870 -8.480 -2.056 1.00 0.33 C ATOM 470 C ALA A 49 2.270 -7.045 -2.415 1.00 0.27 C ATOM 471 O ALA A 49 2.863 -6.347 -1.613 1.00 0.31 O ATOM 472 CB ALA A 49 2.715 -9.482 -2.848 1.00 0.42 C ATOM 0 H ALA A 49 0.327 -9.623 -2.989 1.00 0.31 H new ATOM 0 HA ALA A 49 2.010 -8.578 -0.979 1.00 0.33 H new ATOM 0 HB1 ALA A 49 3.769 -9.338 -2.609 1.00 0.42 H new ATOM 0 HB2 ALA A 49 2.418 -10.497 -2.584 1.00 0.42 H new ATOM 0 HB3 ALA A 49 2.560 -9.325 -3.915 1.00 0.42 H new ATOM 478 N LEU A 50 1.960 -6.601 -3.609 1.00 0.25 N ATOM 479 CA LEU A 50 2.337 -5.208 -4.004 1.00 0.25 C ATOM 480 C LEU A 50 1.726 -4.190 -3.035 1.00 0.23 C ATOM 481 O LEU A 50 2.435 -3.440 -2.387 1.00 0.26 O ATOM 482 CB LEU A 50 1.777 -5.016 -5.413 1.00 0.30 C ATOM 483 CG LEU A 50 2.779 -4.221 -6.253 1.00 0.49 C ATOM 484 CD1 LEU A 50 4.085 -5.015 -6.388 1.00 0.91 C ATOM 485 CD2 LEU A 50 2.189 -3.966 -7.642 1.00 0.52 C ATOM 0 H LEU A 50 1.466 -7.138 -4.322 1.00 0.25 H new ATOM 0 HA LEU A 50 3.416 -5.058 -3.977 1.00 0.25 H new ATOM 0 HB2 LEU A 50 1.585 -5.984 -5.875 1.00 0.30 H new ATOM 0 HB3 LEU A 50 0.824 -4.489 -5.369 1.00 0.30 H new ATOM 0 HG LEU A 50 2.986 -3.269 -5.764 1.00 0.49 H new ATOM 0 HD11 LEU A 50 4.796 -4.446 -6.987 1.00 0.91 H new ATOM 0 HD12 LEU A 50 4.505 -5.195 -5.399 1.00 0.91 H new ATOM 0 HD13 LEU A 50 3.882 -5.969 -6.875 1.00 0.91 H new ATOM 0 HD21 LEU A 50 2.902 -3.400 -8.242 1.00 0.52 H new ATOM 0 HD22 LEU A 50 1.981 -4.918 -8.129 1.00 0.52 H new ATOM 0 HD23 LEU A 50 1.264 -3.398 -7.546 1.00 0.52 H new ATOM 497 N VAL A 51 0.420 -4.159 -2.923 1.00 0.23 N ATOM 498 CA VAL A 51 -0.222 -3.193 -1.991 1.00 0.24 C ATOM 499 C VAL A 51 0.250 -3.473 -0.558 1.00 0.23 C ATOM 500 O VAL A 51 0.513 -2.562 0.200 1.00 0.29 O ATOM 501 CB VAL A 51 -1.731 -3.423 -2.153 1.00 0.27 C ATOM 502 CG1 VAL A 51 -2.484 -2.802 -0.980 1.00 0.43 C ATOM 503 CG2 VAL A 51 -2.202 -2.772 -3.455 1.00 0.40 C ATOM 0 H VAL A 51 -0.224 -4.761 -3.437 1.00 0.23 H new ATOM 0 HA VAL A 51 0.036 -2.156 -2.204 1.00 0.24 H new ATOM 0 HB VAL A 51 -1.929 -4.495 -2.178 1.00 0.27 H new ATOM 0 HG11 VAL A 51 -3.554 -2.970 -1.104 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -2.150 -3.261 -0.049 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -2.287 -1.730 -0.947 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -3.273 -2.932 -3.575 1.00 0.40 H new ATOM 0 HG22 VAL A 51 -1.997 -1.702 -3.422 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -1.672 -3.217 -4.297 1.00 0.40 H new ATOM 513 N ALA A 52 0.373 -4.727 -0.194 1.00 0.24 N ATOM 514 CA ALA A 52 0.844 -5.073 1.184 1.00 0.25 C ATOM 515 C ALA A 52 2.231 -4.476 1.422 1.00 0.24 C ATOM 516 O ALA A 52 2.465 -3.809 2.412 1.00 0.27 O ATOM 517 CB ALA A 52 0.906 -6.601 1.221 1.00 0.28 C ATOM 0 H ALA A 52 0.167 -5.527 -0.793 1.00 0.24 H new ATOM 0 HA ALA A 52 0.184 -4.680 1.957 1.00 0.25 H new ATOM 0 HB1 ALA A 52 1.245 -6.928 2.204 1.00 0.28 H new ATOM 0 HB2 ALA A 52 -0.085 -7.010 1.024 1.00 0.28 H new ATOM 0 HB3 ALA A 52 1.602 -6.955 0.461 1.00 0.28 H new ATOM 523 N PHE A 53 3.145 -4.700 0.505 1.00 0.27 N ATOM 524 CA PHE A 53 4.525 -4.135 0.646 1.00 0.29 C ATOM 525 C PHE A 53 4.422 -2.640 0.961 1.00 0.28 C ATOM 526 O PHE A 53 4.880 -2.168 1.993 1.00 0.30 O ATOM 527 CB PHE A 53 5.175 -4.367 -0.723 1.00 0.32 C ATOM 528 CG PHE A 53 6.521 -3.682 -0.787 1.00 0.35 C ATOM 529 CD1 PHE A 53 7.463 -3.883 0.229 1.00 0.52 C ATOM 530 CD2 PHE A 53 6.826 -2.849 -1.869 1.00 0.50 C ATOM 531 CE1 PHE A 53 8.709 -3.249 0.163 1.00 0.56 C ATOM 532 CE2 PHE A 53 8.072 -2.215 -1.936 1.00 0.56 C ATOM 533 CZ PHE A 53 9.014 -2.415 -0.920 1.00 0.47 C ATOM 0 H PHE A 53 2.992 -5.253 -0.339 1.00 0.27 H new ATOM 0 HA PHE A 53 5.104 -4.594 1.447 1.00 0.29 H new ATOM 0 HB2 PHE A 53 5.294 -5.436 -0.900 1.00 0.32 H new ATOM 0 HB3 PHE A 53 4.526 -3.984 -1.511 1.00 0.32 H new ATOM 0 HD1 PHE A 53 7.228 -4.527 1.063 1.00 0.52 H new ATOM 0 HD2 PHE A 53 6.099 -2.695 -2.653 1.00 0.50 H new ATOM 0 HE1 PHE A 53 9.435 -3.403 0.947 1.00 0.56 H new ATOM 0 HE2 PHE A 53 8.307 -1.572 -2.771 1.00 0.56 H new ATOM 0 HZ PHE A 53 9.976 -1.926 -0.971 1.00 0.47 H new ATOM 543 N LEU A 54 3.784 -1.901 0.092 1.00 0.29 N ATOM 544 CA LEU A 54 3.607 -0.445 0.340 1.00 0.30 C ATOM 545 C LEU A 54 2.867 -0.256 1.669 1.00 0.29 C ATOM 546 O LEU A 54 3.134 0.668 2.411 1.00 0.34 O ATOM 547 CB LEU A 54 2.767 0.058 -0.837 1.00 0.32 C ATOM 548 CG LEU A 54 3.682 0.453 -2.001 1.00 0.38 C ATOM 549 CD1 LEU A 54 4.597 1.602 -1.571 1.00 0.48 C ATOM 550 CD2 LEU A 54 4.534 -0.749 -2.416 1.00 0.45 C ATOM 0 H LEU A 54 3.379 -2.245 -0.778 1.00 0.29 H new ATOM 0 HA LEU A 54 4.549 0.099 0.411 1.00 0.30 H new ATOM 0 HB2 LEU A 54 2.072 -0.718 -1.157 1.00 0.32 H new ATOM 0 HB3 LEU A 54 2.168 0.914 -0.527 1.00 0.32 H new ATOM 0 HG LEU A 54 3.071 0.774 -2.845 1.00 0.38 H new ATOM 0 HD11 LEU A 54 5.246 1.880 -2.401 1.00 0.48 H new ATOM 0 HD12 LEU A 54 3.991 2.460 -1.281 1.00 0.48 H new ATOM 0 HD13 LEU A 54 5.206 1.285 -0.725 1.00 0.48 H new ATOM 0 HD21 LEU A 54 5.184 -0.466 -3.244 1.00 0.45 H new ATOM 0 HD22 LEU A 54 5.142 -1.073 -1.571 1.00 0.45 H new ATOM 0 HD23 LEU A 54 3.883 -1.566 -2.729 1.00 0.45 H new ATOM 562 N ARG A 55 1.954 -1.148 1.977 1.00 0.26 N ATOM 563 CA ARG A 55 1.201 -1.049 3.265 1.00 0.27 C ATOM 564 C ARG A 55 2.130 -1.342 4.447 1.00 0.27 C ATOM 565 O ARG A 55 1.797 -1.086 5.588 1.00 0.35 O ATOM 566 CB ARG A 55 0.095 -2.104 3.175 1.00 0.30 C ATOM 567 CG ARG A 55 -1.008 -1.777 4.185 1.00 0.39 C ATOM 568 CD ARG A 55 -0.782 -2.579 5.468 1.00 0.52 C ATOM 569 NE ARG A 55 -1.166 -1.655 6.571 1.00 0.63 N ATOM 570 CZ ARG A 55 -0.717 -1.858 7.779 1.00 0.57 C ATOM 571 NH1 ARG A 55 0.425 -1.344 8.146 1.00 0.47 N ATOM 572 NH2 ARG A 55 -1.411 -2.575 8.621 1.00 0.72 N ATOM 0 H ARG A 55 1.699 -1.941 1.389 1.00 0.26 H new ATOM 0 HA ARG A 55 0.792 -0.051 3.422 1.00 0.27 H new ATOM 0 HB2 ARG A 55 -0.317 -2.129 2.166 1.00 0.30 H new ATOM 0 HB3 ARG A 55 0.505 -3.094 3.376 1.00 0.30 H new ATOM 0 HG2 ARG A 55 -1.008 -0.710 4.406 1.00 0.39 H new ATOM 0 HG3 ARG A 55 -1.984 -2.015 3.763 1.00 0.39 H new ATOM 0 HD2 ARG A 55 -1.390 -3.483 5.481 1.00 0.52 H new ATOM 0 HD3 ARG A 55 0.258 -2.893 5.560 1.00 0.52 H new ATOM 0 HE ARG A 55 -1.780 -0.863 6.382 1.00 0.63 H new ATOM 0 HH11 ARG A 55 0.967 -0.783 7.488 1.00 0.47 H new ATOM 0 HH12 ARG A 55 0.776 -1.503 9.091 1.00 0.47 H new ATOM 0 HH21 ARG A 55 -2.304 -2.976 8.334 1.00 0.72 H new ATOM 0 HH22 ARG A 55 -1.060 -2.734 9.566 1.00 0.72 H new ATOM 586 N PHE A 56 3.296 -1.872 4.184 1.00 0.24 N ATOM 587 CA PHE A 56 4.246 -2.167 5.294 1.00 0.25 C ATOM 588 C PHE A 56 5.228 -1.007 5.460 1.00 0.28 C ATOM 589 O PHE A 56 5.838 -0.849 6.501 1.00 0.30 O ATOM 590 CB PHE A 56 5.004 -3.428 4.868 1.00 0.27 C ATOM 591 CG PHE A 56 4.045 -4.573 4.612 1.00 0.27 C ATOM 592 CD1 PHE A 56 2.808 -4.642 5.275 1.00 0.36 C ATOM 593 CD2 PHE A 56 4.406 -5.579 3.709 1.00 0.29 C ATOM 594 CE1 PHE A 56 1.942 -5.713 5.030 1.00 0.41 C ATOM 595 CE2 PHE A 56 3.538 -6.648 3.465 1.00 0.34 C ATOM 596 CZ PHE A 56 2.306 -6.716 4.126 1.00 0.38 C ATOM 0 H PHE A 56 3.630 -2.112 3.251 1.00 0.24 H new ATOM 0 HA PHE A 56 3.727 -2.305 6.243 1.00 0.25 H new ATOM 0 HB2 PHE A 56 5.582 -3.223 3.967 1.00 0.27 H new ATOM 0 HB3 PHE A 56 5.715 -3.710 5.645 1.00 0.27 H new ATOM 0 HD1 PHE A 56 2.526 -3.868 5.974 1.00 0.36 H new ATOM 0 HD2 PHE A 56 5.357 -5.530 3.199 1.00 0.29 H new ATOM 0 HE1 PHE A 56 0.991 -5.765 5.540 1.00 0.41 H new ATOM 0 HE2 PHE A 56 3.819 -7.422 2.766 1.00 0.34 H new ATOM 0 HZ PHE A 56 1.637 -7.543 3.938 1.00 0.38 H new ATOM 606 N LEU A 57 5.408 -0.211 4.433 1.00 0.29 N ATOM 607 CA LEU A 57 6.383 0.920 4.531 1.00 0.33 C ATOM 608 C LEU A 57 5.680 2.273 4.714 1.00 0.38 C ATOM 609 O LEU A 57 6.153 3.117 5.452 1.00 0.46 O ATOM 610 CB LEU A 57 7.158 0.894 3.210 1.00 0.37 C ATOM 611 CG LEU A 57 7.570 -0.545 2.873 1.00 0.34 C ATOM 612 CD1 LEU A 57 8.385 -0.558 1.577 1.00 0.42 C ATOM 613 CD2 LEU A 57 8.411 -1.128 4.016 1.00 0.40 C ATOM 0 H LEU A 57 4.926 -0.295 3.538 1.00 0.29 H new ATOM 0 HA LEU A 57 7.031 0.804 5.400 1.00 0.33 H new ATOM 0 HB2 LEU A 57 6.542 1.302 2.409 1.00 0.37 H new ATOM 0 HB3 LEU A 57 8.043 1.526 3.285 1.00 0.37 H new ATOM 0 HG LEU A 57 6.674 -1.151 2.743 1.00 0.34 H new ATOM 0 HD11 LEU A 57 8.676 -1.581 1.340 1.00 0.42 H new ATOM 0 HD12 LEU A 57 7.781 -0.155 0.764 1.00 0.42 H new ATOM 0 HD13 LEU A 57 9.279 0.053 1.703 1.00 0.42 H new ATOM 0 HD21 LEU A 57 8.700 -2.150 3.770 1.00 0.40 H new ATOM 0 HD22 LEU A 57 9.306 -0.521 4.156 1.00 0.40 H new ATOM 0 HD23 LEU A 57 7.825 -1.128 4.935 1.00 0.40 H new ATOM 625 N THR A 58 4.578 2.507 4.041 1.00 0.38 N ATOM 626 CA THR A 58 3.895 3.834 4.184 1.00 0.47 C ATOM 627 C THR A 58 2.365 3.728 4.041 1.00 0.42 C ATOM 628 O THR A 58 1.656 4.686 4.286 1.00 0.48 O ATOM 629 CB THR A 58 4.476 4.678 3.051 1.00 0.55 C ATOM 630 OG1 THR A 58 5.886 4.764 3.202 1.00 0.89 O ATOM 631 CG2 THR A 58 3.872 6.079 3.094 1.00 0.73 C ATOM 0 H THR A 58 4.127 1.847 3.407 1.00 0.38 H new ATOM 0 HA THR A 58 4.062 4.261 5.173 1.00 0.47 H new ATOM 0 HB THR A 58 4.240 4.213 2.094 1.00 0.55 H new ATOM 0 HG1 THR A 58 6.261 5.304 2.475 1.00 0.89 H new ATOM 0 HG21 THR A 58 4.288 6.679 2.285 1.00 0.73 H new ATOM 0 HG22 THR A 58 2.790 6.013 2.978 1.00 0.73 H new ATOM 0 HG23 THR A 58 4.106 6.547 4.050 1.00 0.73 H new ATOM 639 N ILE A 59 1.856 2.588 3.649 1.00 0.37 N ATOM 640 CA ILE A 59 0.376 2.421 3.486 1.00 0.35 C ATOM 641 C ILE A 59 -0.219 3.518 2.583 1.00 0.37 C ATOM 642 O ILE A 59 -1.075 4.274 3.006 1.00 0.43 O ATOM 643 CB ILE A 59 -0.204 2.506 4.903 1.00 0.39 C ATOM 644 CG1 ILE A 59 0.341 1.356 5.754 1.00 0.39 C ATOM 645 CG2 ILE A 59 -1.734 2.400 4.838 1.00 0.45 C ATOM 646 CD1 ILE A 59 1.738 1.708 6.270 1.00 0.42 C ATOM 0 H ILE A 59 2.406 1.757 3.432 1.00 0.37 H new ATOM 0 HA ILE A 59 0.135 1.473 3.004 1.00 0.35 H new ATOM 0 HB ILE A 59 0.082 3.458 5.350 1.00 0.39 H new ATOM 0 HG12 ILE A 59 -0.328 1.163 6.593 1.00 0.39 H new ATOM 0 HG13 ILE A 59 0.382 0.442 5.162 1.00 0.39 H new ATOM 0 HG21 ILE A 59 -2.146 2.460 5.845 1.00 0.45 H new ATOM 0 HG22 ILE A 59 -2.130 3.217 4.234 1.00 0.45 H new ATOM 0 HG23 ILE A 59 -2.014 1.447 4.388 1.00 0.45 H new ATOM 0 HD11 ILE A 59 2.120 0.886 6.875 1.00 0.42 H new ATOM 0 HD12 ILE A 59 2.406 1.878 5.425 1.00 0.42 H new ATOM 0 HD13 ILE A 59 1.684 2.611 6.878 1.00 0.42 H new ATOM 658 N PRO A 60 0.243 3.561 1.357 1.00 0.37 N ATOM 659 CA PRO A 60 -0.250 4.527 0.362 1.00 0.41 C ATOM 660 C PRO A 60 -1.172 3.817 -0.658 1.00 0.37 C ATOM 661 O PRO A 60 -0.845 3.753 -1.830 1.00 0.40 O ATOM 662 CB PRO A 60 1.056 4.940 -0.321 1.00 0.48 C ATOM 663 CG PRO A 60 1.992 3.766 -0.131 1.00 0.46 C ATOM 664 CD PRO A 60 1.294 2.760 0.762 1.00 0.37 C ATOM 0 HA PRO A 60 -0.828 5.351 0.781 1.00 0.41 H new ATOM 0 HB2 PRO A 60 0.898 5.150 -1.379 1.00 0.48 H new ATOM 0 HB3 PRO A 60 1.465 5.846 0.126 1.00 0.48 H new ATOM 0 HG2 PRO A 60 2.241 3.316 -1.092 1.00 0.46 H new ATOM 0 HG3 PRO A 60 2.929 4.093 0.320 1.00 0.46 H new ATOM 0 HD2 PRO A 60 0.894 1.919 0.195 1.00 0.37 H new ATOM 0 HD3 PRO A 60 1.966 2.346 1.514 1.00 0.37 H new ATOM 672 N PRO A 61 -2.289 3.287 -0.200 1.00 0.34 N ATOM 673 CA PRO A 61 -3.206 2.575 -1.124 1.00 0.33 C ATOM 674 C PRO A 61 -3.883 3.565 -2.071 1.00 0.33 C ATOM 675 O PRO A 61 -4.685 4.381 -1.659 1.00 0.42 O ATOM 676 CB PRO A 61 -4.225 1.919 -0.200 1.00 0.35 C ATOM 677 CG PRO A 61 -4.206 2.749 1.037 1.00 0.38 C ATOM 678 CD PRO A 61 -2.807 3.296 1.174 1.00 0.38 C ATOM 0 HA PRO A 61 -2.693 1.851 -1.757 1.00 0.33 H new ATOM 0 HB2 PRO A 61 -5.217 1.905 -0.652 1.00 0.35 H new ATOM 0 HB3 PRO A 61 -3.957 0.884 0.014 1.00 0.35 H new ATOM 0 HG2 PRO A 61 -4.933 3.559 0.970 1.00 0.38 H new ATOM 0 HG3 PRO A 61 -4.474 2.151 1.908 1.00 0.38 H new ATOM 0 HD2 PRO A 61 -2.811 4.302 1.593 1.00 0.38 H new ATOM 0 HD3 PRO A 61 -2.199 2.678 1.834 1.00 0.38 H new ATOM 686 N THR A 62 -3.563 3.494 -3.339 1.00 0.30 N ATOM 687 CA THR A 62 -4.183 4.427 -4.326 1.00 0.31 C ATOM 688 C THR A 62 -5.713 4.284 -4.284 1.00 0.28 C ATOM 689 O THR A 62 -6.234 3.350 -3.706 1.00 0.28 O ATOM 690 CB THR A 62 -3.592 4.010 -5.688 1.00 0.35 C ATOM 691 OG1 THR A 62 -3.026 5.149 -6.318 1.00 0.45 O ATOM 692 CG2 THR A 62 -4.673 3.417 -6.594 1.00 0.39 C ATOM 0 H THR A 62 -2.898 2.829 -3.733 1.00 0.30 H new ATOM 0 HA THR A 62 -3.974 5.477 -4.119 1.00 0.31 H new ATOM 0 HB THR A 62 -2.827 3.252 -5.519 1.00 0.35 H new ATOM 0 HG1 THR A 62 -2.647 4.890 -7.184 1.00 0.45 H new ATOM 0 HG21 THR A 62 -4.231 3.131 -7.548 1.00 0.39 H new ATOM 0 HG22 THR A 62 -5.106 2.538 -6.116 1.00 0.39 H new ATOM 0 HG23 THR A 62 -5.453 4.159 -6.763 1.00 0.39 H new ATOM 700 N ALA A 63 -6.425 5.210 -4.878 1.00 0.31 N ATOM 701 CA ALA A 63 -7.924 5.154 -4.867 1.00 0.31 C ATOM 702 C ALA A 63 -8.436 3.776 -5.306 1.00 0.28 C ATOM 703 O ALA A 63 -9.308 3.203 -4.680 1.00 0.31 O ATOM 704 CB ALA A 63 -8.364 6.225 -5.866 1.00 0.37 C ATOM 0 H ALA A 63 -6.031 6.009 -5.374 1.00 0.31 H new ATOM 0 HA ALA A 63 -8.323 5.324 -3.867 1.00 0.31 H new ATOM 0 HB1 ALA A 63 -9.453 6.249 -5.918 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -7.994 7.198 -5.543 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -7.959 5.992 -6.851 1.00 0.37 H new ATOM 710 N GLY A 64 -7.909 3.254 -6.383 1.00 0.29 N ATOM 711 CA GLY A 64 -8.361 1.924 -6.889 1.00 0.29 C ATOM 712 C GLY A 64 -8.254 0.857 -5.797 1.00 0.26 C ATOM 713 O GLY A 64 -9.168 0.087 -5.597 1.00 0.30 O ATOM 0 H GLY A 64 -7.177 3.697 -6.939 1.00 0.29 H new ATOM 0 HA2 GLY A 64 -9.392 1.994 -7.235 1.00 0.29 H new ATOM 0 HA3 GLY A 64 -7.756 1.633 -7.748 1.00 0.29 H new ATOM 717 N ILE A 65 -7.146 0.799 -5.099 1.00 0.24 N ATOM 718 CA ILE A 65 -6.978 -0.228 -4.023 1.00 0.23 C ATOM 719 C ILE A 65 -8.199 -0.234 -3.099 1.00 0.24 C ATOM 720 O ILE A 65 -8.629 -1.272 -2.637 1.00 0.27 O ATOM 721 CB ILE A 65 -5.719 0.192 -3.248 1.00 0.25 C ATOM 722 CG1 ILE A 65 -4.515 0.268 -4.196 1.00 0.29 C ATOM 723 CG2 ILE A 65 -5.422 -0.834 -2.149 1.00 0.28 C ATOM 724 CD1 ILE A 65 -4.395 -1.035 -4.988 1.00 0.29 C ATOM 0 H ILE A 65 -6.348 1.421 -5.229 1.00 0.24 H new ATOM 0 HA ILE A 65 -6.883 -1.234 -4.432 1.00 0.23 H new ATOM 0 HB ILE A 65 -5.894 1.172 -2.804 1.00 0.25 H new ATOM 0 HG12 ILE A 65 -4.631 1.110 -4.879 1.00 0.29 H new ATOM 0 HG13 ILE A 65 -3.602 0.443 -3.626 1.00 0.29 H new ATOM 0 HG21 ILE A 65 -4.529 -0.533 -1.602 1.00 0.28 H new ATOM 0 HG22 ILE A 65 -6.267 -0.887 -1.463 1.00 0.28 H new ATOM 0 HG23 ILE A 65 -5.259 -1.813 -2.600 1.00 0.28 H new ATOM 0 HD11 ILE A 65 -3.538 -0.975 -5.659 1.00 0.29 H new ATOM 0 HD12 ILE A 65 -4.258 -1.868 -4.299 1.00 0.29 H new ATOM 0 HD13 ILE A 65 -5.303 -1.191 -5.571 1.00 0.29 H new ATOM 736 N LEU A 66 -8.758 0.921 -2.838 1.00 0.26 N ATOM 737 CA LEU A 66 -9.952 0.998 -1.944 1.00 0.29 C ATOM 738 C LEU A 66 -11.210 0.568 -2.703 1.00 0.30 C ATOM 739 O LEU A 66 -11.924 -0.322 -2.280 1.00 0.36 O ATOM 740 CB LEU A 66 -10.056 2.472 -1.531 1.00 0.36 C ATOM 741 CG LEU A 66 -9.040 2.799 -0.426 1.00 0.41 C ATOM 742 CD1 LEU A 66 -9.302 1.932 0.808 1.00 0.59 C ATOM 743 CD2 LEU A 66 -7.619 2.546 -0.937 1.00 0.38 C ATOM 0 H LEU A 66 -8.437 1.816 -3.207 1.00 0.26 H new ATOM 0 HA LEU A 66 -9.858 0.340 -1.080 1.00 0.29 H new ATOM 0 HB2 LEU A 66 -9.878 3.111 -2.396 1.00 0.36 H new ATOM 0 HB3 LEU A 66 -11.065 2.686 -1.179 1.00 0.36 H new ATOM 0 HG LEU A 66 -9.146 3.849 -0.152 1.00 0.41 H new ATOM 0 HD11 LEU A 66 -8.575 2.174 1.583 1.00 0.59 H new ATOM 0 HD12 LEU A 66 -10.308 2.124 1.181 1.00 0.59 H new ATOM 0 HD13 LEU A 66 -9.210 0.880 0.540 1.00 0.59 H new ATOM 0 HD21 LEU A 66 -6.902 2.779 -0.150 1.00 0.38 H new ATOM 0 HD22 LEU A 66 -7.516 1.499 -1.223 1.00 0.38 H new ATOM 0 HD23 LEU A 66 -7.426 3.179 -1.803 1.00 0.38 H new ATOM 755 N LYS A 67 -11.486 1.197 -3.819 1.00 0.30 N ATOM 756 CA LYS A 67 -12.699 0.831 -4.613 1.00 0.33 C ATOM 757 C LYS A 67 -12.659 -0.654 -4.978 1.00 0.31 C ATOM 758 O LYS A 67 -13.664 -1.339 -4.943 1.00 0.38 O ATOM 759 CB LYS A 67 -12.627 1.692 -5.875 1.00 0.37 C ATOM 760 CG LYS A 67 -13.129 3.103 -5.561 1.00 0.40 C ATOM 761 CD LYS A 67 -14.655 3.090 -5.449 1.00 0.48 C ATOM 762 CE LYS A 67 -15.270 2.811 -6.824 1.00 0.64 C ATOM 763 NZ LYS A 67 -16.264 1.727 -6.590 1.00 0.78 N ATOM 0 H LYS A 67 -10.922 1.949 -4.215 1.00 0.30 H new ATOM 0 HA LYS A 67 -13.621 1.001 -4.057 1.00 0.33 H new ATOM 0 HB2 LYS A 67 -11.601 1.733 -6.242 1.00 0.37 H new ATOM 0 HB3 LYS A 67 -13.231 1.248 -6.666 1.00 0.37 H new ATOM 0 HG2 LYS A 67 -12.689 3.458 -4.629 1.00 0.40 H new ATOM 0 HG3 LYS A 67 -12.817 3.794 -6.344 1.00 0.40 H new ATOM 0 HD2 LYS A 67 -14.971 2.328 -4.737 1.00 0.48 H new ATOM 0 HD3 LYS A 67 -15.010 4.048 -5.069 1.00 0.48 H new ATOM 0 HE2 LYS A 67 -15.747 3.703 -7.231 1.00 0.64 H new ATOM 0 HE3 LYS A 67 -14.510 2.501 -7.541 1.00 0.64 H new ATOM 0 HZ1 LYS A 67 -16.727 1.481 -7.488 1.00 0.78 H new ATOM 0 HZ2 LYS A 67 -15.780 0.889 -6.209 1.00 0.78 H new ATOM 0 HZ3 LYS A 67 -16.979 2.053 -5.909 1.00 0.78 H new ATOM 777 N ARG A 68 -11.500 -1.152 -5.322 1.00 0.27 N ATOM 778 CA ARG A 68 -11.375 -2.591 -5.685 1.00 0.27 C ATOM 779 C ARG A 68 -11.418 -3.451 -4.415 1.00 0.26 C ATOM 780 O ARG A 68 -11.815 -4.600 -4.445 1.00 0.33 O ATOM 781 CB ARG A 68 -10.028 -2.702 -6.421 1.00 0.27 C ATOM 782 CG ARG A 68 -8.929 -3.225 -5.488 1.00 0.29 C ATOM 783 CD ARG A 68 -7.561 -3.009 -6.144 1.00 0.32 C ATOM 784 NE ARG A 68 -7.382 -4.167 -7.067 1.00 0.35 N ATOM 785 CZ ARG A 68 -8.107 -4.262 -8.149 1.00 0.36 C ATOM 786 NH1 ARG A 68 -8.098 -3.297 -9.028 1.00 0.43 N ATOM 787 NH2 ARG A 68 -8.844 -5.320 -8.349 1.00 0.44 N ATOM 0 H ARG A 68 -10.631 -0.619 -5.367 1.00 0.27 H new ATOM 0 HA ARG A 68 -12.189 -2.947 -6.317 1.00 0.27 H new ATOM 0 HB2 ARG A 68 -10.132 -3.370 -7.276 1.00 0.27 H new ATOM 0 HB3 ARG A 68 -9.743 -1.726 -6.812 1.00 0.27 H new ATOM 0 HG2 ARG A 68 -8.972 -2.706 -4.530 1.00 0.29 H new ATOM 0 HG3 ARG A 68 -9.084 -4.284 -5.283 1.00 0.29 H new ATOM 0 HD2 ARG A 68 -7.530 -2.064 -6.687 1.00 0.32 H new ATOM 0 HD3 ARG A 68 -6.768 -2.974 -5.398 1.00 0.32 H new ATOM 0 HE ARG A 68 -6.692 -4.886 -6.852 1.00 0.35 H new ATOM 0 HH11 ARG A 68 -7.525 -2.468 -8.870 1.00 0.43 H new ATOM 0 HH12 ARG A 68 -8.664 -3.372 -9.873 1.00 0.43 H new ATOM 0 HH21 ARG A 68 -8.854 -6.072 -7.660 1.00 0.44 H new ATOM 0 HH22 ARG A 68 -9.410 -5.395 -9.194 1.00 0.44 H new ATOM 801 N TRP A 69 -11.016 -2.888 -3.302 1.00 0.24 N ATOM 802 CA TRP A 69 -11.025 -3.637 -2.005 1.00 0.24 C ATOM 803 C TRP A 69 -12.386 -4.299 -1.752 1.00 0.27 C ATOM 804 O TRP A 69 -12.460 -5.391 -1.219 1.00 0.31 O ATOM 805 CB TRP A 69 -10.784 -2.560 -0.952 1.00 0.24 C ATOM 806 CG TRP A 69 -10.062 -3.131 0.222 1.00 0.26 C ATOM 807 CD1 TRP A 69 -10.498 -3.051 1.498 1.00 0.30 C ATOM 808 CD2 TRP A 69 -8.791 -3.850 0.269 1.00 0.27 C ATOM 809 NE1 TRP A 69 -9.582 -3.669 2.323 1.00 0.32 N ATOM 810 CE2 TRP A 69 -8.515 -4.175 1.619 1.00 0.31 C ATOM 811 CE3 TRP A 69 -7.858 -4.249 -0.709 1.00 0.29 C ATOM 812 CZ2 TRP A 69 -7.364 -4.863 1.988 1.00 0.34 C ATOM 813 CZ3 TRP A 69 -6.696 -4.944 -0.336 1.00 0.33 C ATOM 814 CH2 TRP A 69 -6.452 -5.247 1.011 1.00 0.35 C ATOM 0 H TRP A 69 -10.677 -1.928 -3.236 1.00 0.24 H new ATOM 0 HA TRP A 69 -10.281 -4.434 -1.994 1.00 0.24 H new ATOM 0 HB2 TRP A 69 -10.203 -1.745 -1.383 1.00 0.24 H new ATOM 0 HB3 TRP A 69 -11.736 -2.137 -0.631 1.00 0.24 H new ATOM 0 HD1 TRP A 69 -11.415 -2.580 1.820 1.00 0.30 H new ATOM 0 HE1 TRP A 69 -9.684 -3.742 3.335 1.00 0.32 H new ATOM 0 HE3 TRP A 69 -8.037 -4.019 -1.749 1.00 0.29 H new ATOM 0 HZ2 TRP A 69 -7.180 -5.097 3.026 1.00 0.34 H new ATOM 0 HZ3 TRP A 69 -5.986 -5.247 -1.091 1.00 0.33 H new ATOM 0 HH2 TRP A 69 -5.555 -5.779 1.290 1.00 0.35 H new ATOM 825 N GLY A 70 -13.460 -3.634 -2.106 1.00 0.29 N ATOM 826 CA GLY A 70 -14.819 -4.207 -1.859 1.00 0.33 C ATOM 827 C GLY A 70 -15.478 -4.630 -3.174 1.00 0.33 C ATOM 828 O GLY A 70 -16.669 -4.456 -3.357 1.00 0.40 O ATOM 0 H GLY A 70 -13.453 -2.718 -2.556 1.00 0.29 H new ATOM 0 HA2 GLY A 70 -14.741 -5.067 -1.193 1.00 0.33 H new ATOM 0 HA3 GLY A 70 -15.443 -3.469 -1.355 1.00 0.33 H new ATOM 832 N THR A 71 -14.727 -5.194 -4.084 1.00 0.32 N ATOM 833 CA THR A 71 -15.330 -5.640 -5.377 1.00 0.36 C ATOM 834 C THR A 71 -14.485 -6.755 -6.009 1.00 0.35 C ATOM 835 O THR A 71 -14.555 -6.995 -7.200 1.00 0.39 O ATOM 836 CB THR A 71 -15.365 -4.386 -6.264 1.00 0.42 C ATOM 837 OG1 THR A 71 -16.416 -4.513 -7.211 1.00 0.50 O ATOM 838 CG2 THR A 71 -14.035 -4.212 -7.002 1.00 0.45 C ATOM 0 H THR A 71 -13.726 -5.365 -3.989 1.00 0.32 H new ATOM 0 HA THR A 71 -16.329 -6.056 -5.244 1.00 0.36 H new ATOM 0 HB THR A 71 -15.532 -3.513 -5.634 1.00 0.42 H new ATOM 0 HG1 THR A 71 -16.443 -3.714 -7.778 1.00 0.50 H new ATOM 0 HG21 THR A 71 -14.079 -3.319 -7.625 1.00 0.45 H new ATOM 0 HG22 THR A 71 -13.227 -4.110 -6.277 1.00 0.45 H new ATOM 0 HG23 THR A 71 -13.851 -5.084 -7.630 1.00 0.45 H new ATOM 846 N ILE A 72 -13.697 -7.440 -5.217 1.00 0.33 N ATOM 847 CA ILE A 72 -12.857 -8.545 -5.764 1.00 0.34 C ATOM 848 C ILE A 72 -13.486 -9.900 -5.406 1.00 0.34 C ATOM 849 O ILE A 72 -14.655 -10.125 -5.659 1.00 0.44 O ATOM 850 CB ILE A 72 -11.476 -8.367 -5.118 1.00 0.33 C ATOM 851 CG1 ILE A 72 -11.603 -8.417 -3.592 1.00 0.34 C ATOM 852 CG2 ILE A 72 -10.881 -7.019 -5.536 1.00 0.39 C ATOM 853 CD1 ILE A 72 -10.332 -9.030 -3.001 1.00 0.31 C ATOM 0 H ILE A 72 -13.601 -7.280 -4.214 1.00 0.33 H new ATOM 0 HA ILE A 72 -12.779 -8.518 -6.851 1.00 0.34 H new ATOM 0 HB ILE A 72 -10.822 -9.173 -5.451 1.00 0.33 H new ATOM 0 HG12 ILE A 72 -11.756 -7.413 -3.195 1.00 0.34 H new ATOM 0 HG13 ILE A 72 -12.473 -9.009 -3.307 1.00 0.34 H new ATOM 0 HG21 ILE A 72 -9.901 -6.896 -5.076 1.00 0.39 H new ATOM 0 HG22 ILE A 72 -10.779 -6.987 -6.621 1.00 0.39 H new ATOM 0 HG23 ILE A 72 -11.539 -6.214 -5.209 1.00 0.39 H new ATOM 0 HD11 ILE A 72 -10.417 -9.068 -1.915 1.00 0.31 H new ATOM 0 HD12 ILE A 72 -10.200 -10.040 -3.390 1.00 0.31 H new ATOM 0 HD13 ILE A 72 -9.472 -8.420 -3.276 1.00 0.31 H new ATOM 865 N LYS A 73 -12.729 -10.805 -4.835 1.00 0.36 N ATOM 866 CA LYS A 73 -13.292 -12.143 -4.479 1.00 0.37 C ATOM 867 C LYS A 73 -13.250 -12.373 -2.974 1.00 0.32 C ATOM 868 O LYS A 73 -14.076 -13.080 -2.431 1.00 0.35 O ATOM 869 CB LYS A 73 -12.374 -13.143 -5.178 1.00 0.41 C ATOM 870 CG LYS A 73 -12.835 -14.565 -4.874 1.00 0.42 C ATOM 871 CD LYS A 73 -14.114 -14.869 -5.657 1.00 0.49 C ATOM 872 CE LYS A 73 -14.626 -16.261 -5.282 1.00 0.52 C ATOM 873 NZ LYS A 73 -15.650 -16.584 -6.313 1.00 0.47 N ATOM 0 H LYS A 73 -11.745 -10.674 -4.600 1.00 0.36 H new ATOM 0 HA LYS A 73 -14.335 -12.236 -4.782 1.00 0.37 H new ATOM 0 HB2 LYS A 73 -12.384 -12.970 -6.254 1.00 0.41 H new ATOM 0 HB3 LYS A 73 -11.346 -13.004 -4.842 1.00 0.41 H new ATOM 0 HG2 LYS A 73 -12.054 -15.276 -5.143 1.00 0.42 H new ATOM 0 HG3 LYS A 73 -13.015 -14.679 -3.805 1.00 0.42 H new ATOM 0 HD2 LYS A 73 -14.874 -14.119 -5.437 1.00 0.49 H new ATOM 0 HD3 LYS A 73 -13.917 -14.819 -6.728 1.00 0.49 H new ATOM 0 HE2 LYS A 73 -13.818 -16.993 -5.285 1.00 0.52 H new ATOM 0 HE3 LYS A 73 -15.058 -16.267 -4.281 1.00 0.52 H new ATOM 0 HZ1 LYS A 73 -16.048 -17.526 -6.123 1.00 0.47 H new ATOM 0 HZ2 LYS A 73 -16.409 -15.874 -6.282 1.00 0.47 H new ATOM 0 HZ3 LYS A 73 -15.208 -16.578 -7.255 1.00 0.47 H new ATOM 887 N LYS A 74 -12.273 -11.809 -2.315 1.00 0.29 N ATOM 888 CA LYS A 74 -12.106 -11.995 -0.837 1.00 0.28 C ATOM 889 C LYS A 74 -11.640 -13.425 -0.540 1.00 0.25 C ATOM 890 O LYS A 74 -10.688 -13.632 0.187 1.00 0.28 O ATOM 891 CB LYS A 74 -13.466 -11.725 -0.167 1.00 0.31 C ATOM 892 CG LYS A 74 -14.138 -10.484 -0.758 1.00 0.30 C ATOM 893 CD LYS A 74 -13.141 -9.326 -0.850 1.00 0.33 C ATOM 894 CE LYS A 74 -12.680 -8.940 0.555 1.00 0.44 C ATOM 895 NZ LYS A 74 -12.574 -7.454 0.532 1.00 0.31 N ATOM 0 H LYS A 74 -11.566 -11.213 -2.746 1.00 0.29 H new ATOM 0 HA LYS A 74 -11.355 -11.307 -0.449 1.00 0.28 H new ATOM 0 HB2 LYS A 74 -14.116 -12.590 -0.297 1.00 0.31 H new ATOM 0 HB3 LYS A 74 -13.325 -11.590 0.905 1.00 0.31 H new ATOM 0 HG2 LYS A 74 -14.531 -10.713 -1.749 1.00 0.30 H new ATOM 0 HG3 LYS A 74 -14.986 -10.193 -0.138 1.00 0.30 H new ATOM 0 HD2 LYS A 74 -12.285 -9.616 -1.459 1.00 0.33 H new ATOM 0 HD3 LYS A 74 -13.605 -8.470 -1.340 1.00 0.33 H new ATOM 0 HE2 LYS A 74 -13.393 -9.273 1.310 1.00 0.44 H new ATOM 0 HE3 LYS A 74 -11.722 -9.400 0.796 1.00 0.44 H new ATOM 0 HZ1 LYS A 74 -12.992 -7.063 1.400 1.00 0.31 H new ATOM 0 HZ2 LYS A 74 -11.573 -7.178 0.475 1.00 0.31 H new ATOM 0 HZ3 LYS A 74 -13.083 -7.082 -0.295 1.00 0.31 H new ATOM 909 N SER A 75 -12.291 -14.411 -1.107 1.00 0.26 N ATOM 910 CA SER A 75 -11.875 -15.823 -0.861 1.00 0.27 C ATOM 911 C SER A 75 -10.440 -16.016 -1.337 1.00 0.27 C ATOM 912 O SER A 75 -9.639 -16.658 -0.686 1.00 0.32 O ATOM 913 CB SER A 75 -12.837 -16.678 -1.685 1.00 0.31 C ATOM 914 OG SER A 75 -13.896 -17.130 -0.852 1.00 0.39 O ATOM 0 H SER A 75 -13.092 -14.297 -1.729 1.00 0.26 H new ATOM 0 HA SER A 75 -11.910 -16.093 0.194 1.00 0.27 H new ATOM 0 HB2 SER A 75 -13.236 -16.098 -2.517 1.00 0.31 H new ATOM 0 HB3 SER A 75 -12.308 -17.529 -2.115 1.00 0.31 H new ATOM 0 HG SER A 75 -14.515 -17.677 -1.378 1.00 0.39 H new ATOM 920 N LYS A 76 -10.113 -15.445 -2.467 1.00 0.27 N ATOM 921 CA LYS A 76 -8.730 -15.566 -3.002 1.00 0.29 C ATOM 922 C LYS A 76 -7.792 -14.640 -2.225 1.00 0.25 C ATOM 923 O LYS A 76 -6.694 -15.017 -1.868 1.00 0.28 O ATOM 924 CB LYS A 76 -8.831 -15.131 -4.463 1.00 0.35 C ATOM 925 CG LYS A 76 -7.638 -15.685 -5.245 1.00 0.36 C ATOM 926 CD LYS A 76 -7.736 -17.212 -5.324 1.00 0.42 C ATOM 927 CE LYS A 76 -6.406 -17.835 -4.888 1.00 0.41 C ATOM 928 NZ LYS A 76 -6.098 -18.854 -5.930 1.00 0.39 N ATOM 0 H LYS A 76 -10.751 -14.897 -3.044 1.00 0.27 H new ATOM 0 HA LYS A 76 -8.332 -16.576 -2.910 1.00 0.29 H new ATOM 0 HB2 LYS A 76 -9.763 -15.492 -4.897 1.00 0.35 H new ATOM 0 HB3 LYS A 76 -8.849 -14.043 -4.529 1.00 0.35 H new ATOM 0 HG2 LYS A 76 -7.620 -15.260 -6.248 1.00 0.36 H new ATOM 0 HG3 LYS A 76 -6.706 -15.395 -4.759 1.00 0.36 H new ATOM 0 HD2 LYS A 76 -8.543 -17.568 -4.684 1.00 0.42 H new ATOM 0 HD3 LYS A 76 -7.977 -17.519 -6.342 1.00 0.42 H new ATOM 0 HE2 LYS A 76 -5.619 -17.083 -4.826 1.00 0.41 H new ATOM 0 HE3 LYS A 76 -6.488 -18.291 -3.902 1.00 0.41 H new ATOM 0 HZ1 LYS A 76 -5.199 -19.325 -5.700 1.00 0.39 H new ATOM 0 HZ2 LYS A 76 -6.861 -19.560 -5.961 1.00 0.39 H new ATOM 0 HZ3 LYS A 76 -6.018 -18.389 -6.857 1.00 0.39 H new ATOM 942 N ALA A 77 -8.225 -13.431 -1.956 1.00 0.24 N ATOM 943 CA ALA A 77 -7.366 -12.474 -1.194 1.00 0.23 C ATOM 944 C ALA A 77 -7.113 -13.010 0.214 1.00 0.21 C ATOM 945 O ALA A 77 -5.982 -13.153 0.638 1.00 0.26 O ATOM 946 CB ALA A 77 -8.164 -11.171 -1.128 1.00 0.25 C ATOM 0 H ALA A 77 -9.137 -13.067 -2.232 1.00 0.24 H new ATOM 0 HA ALA A 77 -6.395 -12.329 -1.668 1.00 0.23 H new ATOM 0 HB1 ALA A 77 -7.592 -10.421 -0.581 1.00 0.25 H new ATOM 0 HB2 ALA A 77 -8.359 -10.812 -2.139 1.00 0.25 H new ATOM 0 HB3 ALA A 77 -9.110 -11.349 -0.617 1.00 0.25 H new ATOM 952 N ILE A 78 -8.164 -13.310 0.937 1.00 0.20 N ATOM 953 CA ILE A 78 -7.998 -13.843 2.321 1.00 0.21 C ATOM 954 C ILE A 78 -7.151 -15.118 2.282 1.00 0.22 C ATOM 955 O ILE A 78 -6.270 -15.308 3.099 1.00 0.27 O ATOM 956 CB ILE A 78 -9.419 -14.130 2.814 1.00 0.23 C ATOM 957 CG1 ILE A 78 -10.209 -12.817 2.870 1.00 0.27 C ATOM 958 CG2 ILE A 78 -9.364 -14.749 4.213 1.00 0.32 C ATOM 959 CD1 ILE A 78 -11.702 -13.096 2.679 1.00 0.29 C ATOM 0 H ILE A 78 -9.130 -13.208 0.626 1.00 0.20 H new ATOM 0 HA ILE A 78 -7.487 -13.146 2.985 1.00 0.21 H new ATOM 0 HB ILE A 78 -9.907 -14.825 2.131 1.00 0.23 H new ATOM 0 HG12 ILE A 78 -10.042 -12.323 3.827 1.00 0.27 H new ATOM 0 HG13 ILE A 78 -9.856 -12.137 2.095 1.00 0.27 H new ATOM 0 HG21 ILE A 78 -10.377 -14.952 4.561 1.00 0.32 H new ATOM 0 HG22 ILE A 78 -8.799 -15.681 4.177 1.00 0.32 H new ATOM 0 HG23 ILE A 78 -8.877 -14.056 4.899 1.00 0.32 H new ATOM 0 HD11 ILE A 78 -12.256 -12.158 2.720 1.00 0.29 H new ATOM 0 HD12 ILE A 78 -11.863 -13.570 1.711 1.00 0.29 H new ATOM 0 HD13 ILE A 78 -12.052 -13.759 3.470 1.00 0.29 H new ATOM 971 N ASN A 79 -7.391 -15.979 1.321 1.00 0.21 N ATOM 972 CA ASN A 79 -6.572 -17.224 1.218 1.00 0.24 C ATOM 973 C ASN A 79 -5.122 -16.828 0.951 1.00 0.24 C ATOM 974 O ASN A 79 -4.196 -17.396 1.498 1.00 0.29 O ATOM 975 CB ASN A 79 -7.144 -17.997 0.028 1.00 0.26 C ATOM 976 CG ASN A 79 -8.306 -18.878 0.494 1.00 0.31 C ATOM 977 OD1 ASN A 79 -9.188 -18.394 1.325 1.00 0.41 O flip ATOM 978 ND2 ASN A 79 -8.413 -20.021 0.096 1.00 0.44 N flip ATOM 0 H ASN A 79 -8.114 -15.873 0.609 1.00 0.21 H new ATOM 0 HA ASN A 79 -6.600 -17.827 2.125 1.00 0.24 H new ATOM 0 HB2 ASN A 79 -7.487 -17.302 -0.738 1.00 0.26 H new ATOM 0 HB3 ASN A 79 -6.367 -18.613 -0.425 1.00 0.26 H new ATOM 0 HD21 ASN A 79 -7.725 -20.401 -0.554 1.00 0.44 H new ATOM 0 HD22 ASN A 79 -9.191 -20.600 0.411 1.00 0.44 H new ATOM 985 N VAL A 80 -4.931 -15.832 0.122 1.00 0.24 N ATOM 986 CA VAL A 80 -3.552 -15.354 -0.186 1.00 0.26 C ATOM 987 C VAL A 80 -2.928 -14.786 1.090 1.00 0.25 C ATOM 988 O VAL A 80 -1.824 -15.136 1.462 1.00 0.31 O ATOM 989 CB VAL A 80 -3.742 -14.260 -1.251 1.00 0.27 C ATOM 990 CG1 VAL A 80 -2.888 -13.033 -0.920 1.00 0.31 C ATOM 991 CG2 VAL A 80 -3.331 -14.808 -2.620 1.00 0.36 C ATOM 0 H VAL A 80 -5.677 -15.328 -0.357 1.00 0.24 H new ATOM 0 HA VAL A 80 -2.890 -16.142 -0.546 1.00 0.26 H new ATOM 0 HB VAL A 80 -4.791 -13.964 -1.267 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -3.036 -12.270 -1.684 1.00 0.31 H new ATOM 0 HG12 VAL A 80 -3.183 -12.636 0.051 1.00 0.31 H new ATOM 0 HG13 VAL A 80 -1.837 -13.319 -0.891 1.00 0.31 H new ATOM 0 HG21 VAL A 80 -3.465 -14.035 -3.377 1.00 0.36 H new ATOM 0 HG22 VAL A 80 -2.284 -15.111 -2.591 1.00 0.36 H new ATOM 0 HG23 VAL A 80 -3.951 -15.669 -2.868 1.00 0.36 H new ATOM 1001 N LEU A 81 -3.641 -13.914 1.762 1.00 0.23 N ATOM 1002 CA LEU A 81 -3.111 -13.317 3.023 1.00 0.24 C ATOM 1003 C LEU A 81 -2.758 -14.428 4.010 1.00 0.25 C ATOM 1004 O LEU A 81 -1.794 -14.333 4.747 1.00 0.29 O ATOM 1005 CB LEU A 81 -4.245 -12.445 3.561 1.00 0.25 C ATOM 1006 CG LEU A 81 -3.889 -10.969 3.358 1.00 0.31 C ATOM 1007 CD1 LEU A 81 -4.642 -10.422 2.144 1.00 0.60 C ATOM 1008 CD2 LEU A 81 -4.281 -10.171 4.601 1.00 0.44 C ATOM 0 H LEU A 81 -4.569 -13.591 1.489 1.00 0.23 H new ATOM 0 HA LEU A 81 -2.204 -12.734 2.862 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.176 -12.681 3.046 1.00 0.25 H new ATOM 0 HB3 LEU A 81 -4.406 -12.650 4.619 1.00 0.25 H new ATOM 0 HG LEU A 81 -2.816 -10.877 3.191 1.00 0.31 H new ATOM 0 HD11 LEU A 81 -4.388 -9.372 2.001 1.00 0.60 H new ATOM 0 HD12 LEU A 81 -4.360 -10.988 1.256 1.00 0.60 H new ATOM 0 HD13 LEU A 81 -5.715 -10.516 2.309 1.00 0.60 H new ATOM 0 HD21 LEU A 81 -4.027 -9.121 4.455 1.00 0.44 H new ATOM 0 HD22 LEU A 81 -5.354 -10.264 4.770 1.00 0.44 H new ATOM 0 HD23 LEU A 81 -3.742 -10.557 5.466 1.00 0.44 H new ATOM 1020 N ARG A 82 -3.519 -15.491 4.010 1.00 0.29 N ATOM 1021 CA ARG A 82 -3.212 -16.623 4.926 1.00 0.31 C ATOM 1022 C ARG A 82 -1.891 -17.257 4.490 1.00 0.28 C ATOM 1023 O ARG A 82 -1.086 -17.673 5.304 1.00 0.28 O ATOM 1024 CB ARG A 82 -4.370 -17.608 4.758 1.00 0.40 C ATOM 1025 CG ARG A 82 -4.283 -18.693 5.837 1.00 0.38 C ATOM 1026 CD ARG A 82 -5.461 -18.551 6.806 1.00 0.42 C ATOM 1027 NE ARG A 82 -6.384 -19.666 6.455 1.00 0.52 N ATOM 1028 CZ ARG A 82 -7.098 -19.603 5.365 1.00 0.56 C ATOM 1029 NH1 ARG A 82 -8.267 -19.023 5.383 1.00 0.71 N ATOM 1030 NH2 ARG A 82 -6.643 -20.120 4.257 1.00 0.53 N ATOM 0 H ARG A 82 -4.338 -15.622 3.416 1.00 0.29 H new ATOM 0 HA ARG A 82 -3.110 -16.316 5.967 1.00 0.31 H new ATOM 0 HB2 ARG A 82 -5.322 -17.082 4.833 1.00 0.40 H new ATOM 0 HB3 ARG A 82 -4.334 -18.062 3.768 1.00 0.40 H new ATOM 0 HG2 ARG A 82 -4.296 -19.680 5.376 1.00 0.38 H new ATOM 0 HG3 ARG A 82 -3.341 -18.606 6.379 1.00 0.38 H new ATOM 0 HD2 ARG A 82 -5.131 -18.623 7.842 1.00 0.42 H new ATOM 0 HD3 ARG A 82 -5.950 -17.583 6.694 1.00 0.42 H new ATOM 0 HE ARG A 82 -6.458 -20.479 7.067 1.00 0.52 H new ATOM 0 HH11 ARG A 82 -8.623 -18.619 6.249 1.00 0.71 H new ATOM 0 HH12 ARG A 82 -8.825 -18.974 4.531 1.00 0.71 H new ATOM 0 HH21 ARG A 82 -5.729 -20.573 4.243 1.00 0.53 H new ATOM 0 HH22 ARG A 82 -7.201 -20.071 3.405 1.00 0.53 H new ATOM 1044 N GLY A 83 -1.661 -17.312 3.200 1.00 0.30 N ATOM 1045 CA GLY A 83 -0.391 -17.894 2.681 1.00 0.31 C ATOM 1046 C GLY A 83 0.764 -16.972 3.067 1.00 0.28 C ATOM 1047 O GLY A 83 1.854 -17.421 3.365 1.00 0.30 O ATOM 0 H GLY A 83 -2.304 -16.976 2.483 1.00 0.30 H new ATOM 0 HA2 GLY A 83 -0.234 -18.890 3.096 1.00 0.31 H new ATOM 0 HA3 GLY A 83 -0.441 -18.004 1.598 1.00 0.31 H new ATOM 1051 N PHE A 84 0.523 -15.683 3.082 1.00 0.28 N ATOM 1052 CA PHE A 84 1.597 -14.723 3.471 1.00 0.27 C ATOM 1053 C PHE A 84 1.976 -14.973 4.930 1.00 0.27 C ATOM 1054 O PHE A 84 3.134 -14.930 5.299 1.00 0.31 O ATOM 1055 CB PHE A 84 0.980 -13.331 3.304 1.00 0.29 C ATOM 1056 CG PHE A 84 1.131 -12.869 1.880 1.00 0.30 C ATOM 1057 CD1 PHE A 84 2.391 -12.857 1.275 1.00 0.38 C ATOM 1058 CD2 PHE A 84 0.006 -12.440 1.167 1.00 0.37 C ATOM 1059 CE1 PHE A 84 2.524 -12.416 -0.045 1.00 0.43 C ATOM 1060 CE2 PHE A 84 0.141 -11.999 -0.148 1.00 0.44 C ATOM 1061 CZ PHE A 84 1.397 -11.988 -0.754 1.00 0.44 C ATOM 0 H PHE A 84 -0.372 -15.257 2.841 1.00 0.28 H new ATOM 0 HA PHE A 84 2.499 -14.828 2.868 1.00 0.27 H new ATOM 0 HB2 PHE A 84 -0.075 -13.357 3.577 1.00 0.29 H new ATOM 0 HB3 PHE A 84 1.466 -12.625 3.978 1.00 0.29 H new ATOM 0 HD1 PHE A 84 3.259 -13.187 1.826 1.00 0.38 H new ATOM 0 HD2 PHE A 84 -0.967 -12.451 1.636 1.00 0.37 H new ATOM 0 HE1 PHE A 84 3.496 -12.406 -0.516 1.00 0.43 H new ATOM 0 HE2 PHE A 84 -0.727 -11.666 -0.698 1.00 0.44 H new ATOM 0 HZ PHE A 84 1.500 -11.648 -1.774 1.00 0.44 H new ATOM 1071 N ARG A 85 0.998 -15.254 5.755 1.00 0.26 N ATOM 1072 CA ARG A 85 1.280 -15.535 7.192 1.00 0.27 C ATOM 1073 C ARG A 85 2.069 -16.839 7.303 1.00 0.26 C ATOM 1074 O ARG A 85 2.936 -16.985 8.143 1.00 0.30 O ATOM 1075 CB ARG A 85 -0.092 -15.676 7.853 1.00 0.31 C ATOM 1076 CG ARG A 85 0.085 -15.919 9.354 1.00 0.49 C ATOM 1077 CD ARG A 85 -0.968 -16.919 9.839 1.00 0.67 C ATOM 1078 NE ARG A 85 -2.157 -16.091 10.185 1.00 0.66 N ATOM 1079 CZ ARG A 85 -3.312 -16.662 10.388 1.00 0.75 C ATOM 1080 NH1 ARG A 85 -3.913 -17.285 9.411 1.00 0.88 N ATOM 1081 NH2 ARG A 85 -3.867 -16.611 11.568 1.00 0.87 N ATOM 0 H ARG A 85 0.014 -15.300 5.492 1.00 0.26 H new ATOM 0 HA ARG A 85 1.870 -14.751 7.667 1.00 0.27 H new ATOM 0 HB2 ARG A 85 -0.681 -14.774 7.687 1.00 0.31 H new ATOM 0 HB3 ARG A 85 -0.641 -16.503 7.402 1.00 0.31 H new ATOM 0 HG2 ARG A 85 1.085 -16.302 9.555 1.00 0.49 H new ATOM 0 HG3 ARG A 85 -0.012 -14.980 9.899 1.00 0.49 H new ATOM 0 HD2 ARG A 85 -1.207 -17.648 9.064 1.00 0.67 H new ATOM 0 HD3 ARG A 85 -0.612 -17.479 10.704 1.00 0.67 H new ATOM 0 HE ARG A 85 -2.068 -15.078 10.263 1.00 0.66 H new ATOM 0 HH11 ARG A 85 -3.479 -17.325 8.489 1.00 0.88 H new ATOM 0 HH12 ARG A 85 -4.816 -17.731 9.570 1.00 0.88 H new ATOM 0 HH21 ARG A 85 -3.398 -16.125 12.332 1.00 0.87 H new ATOM 0 HH22 ARG A 85 -4.770 -17.058 11.726 1.00 0.87 H new ATOM 1095 N LYS A 86 1.781 -17.785 6.446 1.00 0.25 N ATOM 1096 CA LYS A 86 2.523 -19.077 6.484 1.00 0.25 C ATOM 1097 C LYS A 86 3.900 -18.885 5.848 1.00 0.25 C ATOM 1098 O LYS A 86 4.866 -19.517 6.232 1.00 0.30 O ATOM 1099 CB LYS A 86 1.677 -20.057 5.670 1.00 0.30 C ATOM 1100 CG LYS A 86 1.816 -21.463 6.260 1.00 0.45 C ATOM 1101 CD LYS A 86 1.209 -21.494 7.668 1.00 0.68 C ATOM 1102 CE LYS A 86 2.327 -21.453 8.715 1.00 0.78 C ATOM 1103 NZ LYS A 86 1.967 -22.505 9.706 1.00 0.89 N ATOM 0 H LYS A 86 1.065 -17.717 5.723 1.00 0.25 H new ATOM 0 HA LYS A 86 2.680 -19.443 7.499 1.00 0.25 H new ATOM 0 HB2 LYS A 86 0.632 -19.748 5.681 1.00 0.30 H new ATOM 0 HB3 LYS A 86 1.999 -20.054 4.629 1.00 0.30 H new ATOM 0 HG2 LYS A 86 1.313 -22.188 5.620 1.00 0.45 H new ATOM 0 HG3 LYS A 86 2.867 -21.749 6.300 1.00 0.45 H new ATOM 0 HD2 LYS A 86 0.539 -20.645 7.804 1.00 0.68 H new ATOM 0 HD3 LYS A 86 0.611 -22.396 7.796 1.00 0.68 H new ATOM 0 HE2 LYS A 86 3.298 -21.653 8.263 1.00 0.78 H new ATOM 0 HE3 LYS A 86 2.390 -20.472 9.186 1.00 0.78 H new ATOM 0 HZ1 LYS A 86 2.687 -22.537 10.455 1.00 0.89 H new ATOM 0 HZ2 LYS A 86 1.041 -22.285 10.125 1.00 0.89 H new ATOM 0 HZ3 LYS A 86 1.921 -23.429 9.230 1.00 0.89 H new ATOM 1117 N GLU A 87 3.994 -17.999 4.889 1.00 0.25 N ATOM 1118 CA GLU A 87 5.306 -17.736 4.231 1.00 0.29 C ATOM 1119 C GLU A 87 6.222 -17.003 5.211 1.00 0.28 C ATOM 1120 O GLU A 87 7.411 -17.255 5.272 1.00 0.32 O ATOM 1121 CB GLU A 87 4.984 -16.849 3.027 1.00 0.36 C ATOM 1122 CG GLU A 87 4.640 -17.727 1.822 1.00 0.38 C ATOM 1123 CD GLU A 87 4.710 -16.889 0.544 1.00 0.48 C ATOM 1124 OE1 GLU A 87 4.074 -15.848 0.507 1.00 0.38 O ATOM 1125 OE2 GLU A 87 5.397 -17.302 -0.375 1.00 1.02 O ATOM 0 H GLU A 87 3.215 -17.445 4.533 1.00 0.25 H new ATOM 0 HA GLU A 87 5.815 -18.650 3.925 1.00 0.29 H new ATOM 0 HB2 GLU A 87 4.148 -16.190 3.261 1.00 0.36 H new ATOM 0 HB3 GLU A 87 5.837 -16.211 2.794 1.00 0.36 H new ATOM 0 HG2 GLU A 87 5.335 -18.565 1.759 1.00 0.38 H new ATOM 0 HG3 GLU A 87 3.642 -18.149 1.939 1.00 0.38 H new ATOM 1132 N ILE A 88 5.667 -16.106 5.989 1.00 0.27 N ATOM 1133 CA ILE A 88 6.492 -15.360 6.983 1.00 0.29 C ATOM 1134 C ILE A 88 6.937 -16.325 8.089 1.00 0.27 C ATOM 1135 O ILE A 88 8.073 -16.299 8.529 1.00 0.29 O ATOM 1136 CB ILE A 88 5.569 -14.241 7.509 1.00 0.32 C ATOM 1137 CG1 ILE A 88 6.374 -12.947 7.648 1.00 0.38 C ATOM 1138 CG2 ILE A 88 4.971 -14.610 8.871 1.00 0.33 C ATOM 1139 CD1 ILE A 88 6.242 -12.122 6.367 1.00 0.57 C ATOM 0 H ILE A 88 4.677 -15.860 5.977 1.00 0.27 H new ATOM 0 HA ILE A 88 7.403 -14.933 6.564 1.00 0.29 H new ATOM 0 HB ILE A 88 4.753 -14.107 6.799 1.00 0.32 H new ATOM 0 HG12 ILE A 88 6.014 -12.373 8.502 1.00 0.38 H new ATOM 0 HG13 ILE A 88 7.422 -13.177 7.838 1.00 0.38 H new ATOM 0 HG21 ILE A 88 4.325 -13.802 9.216 1.00 0.33 H new ATOM 0 HG22 ILE A 88 4.387 -15.526 8.776 1.00 0.33 H new ATOM 0 HG23 ILE A 88 5.774 -14.765 9.591 1.00 0.33 H new ATOM 0 HD11 ILE A 88 6.816 -11.201 6.467 1.00 0.57 H new ATOM 0 HD12 ILE A 88 6.623 -12.697 5.523 1.00 0.57 H new ATOM 0 HD13 ILE A 88 5.193 -11.880 6.197 1.00 0.57 H new ATOM 1151 N GLY A 89 6.055 -17.199 8.516 1.00 0.25 N ATOM 1152 CA GLY A 89 6.429 -18.189 9.567 1.00 0.25 C ATOM 1153 C GLY A 89 7.511 -19.097 8.991 1.00 0.24 C ATOM 1154 O GLY A 89 8.435 -19.504 9.673 1.00 0.27 O ATOM 0 H GLY A 89 5.094 -17.266 8.180 1.00 0.25 H new ATOM 0 HA2 GLY A 89 6.793 -17.679 10.459 1.00 0.25 H new ATOM 0 HA3 GLY A 89 5.560 -18.774 9.867 1.00 0.25 H new ATOM 1158 N ARG A 90 7.408 -19.396 7.723 1.00 0.26 N ATOM 1159 CA ARG A 90 8.431 -20.254 7.067 1.00 0.28 C ATOM 1160 C ARG A 90 9.748 -19.486 6.992 1.00 0.25 C ATOM 1161 O ARG A 90 10.815 -20.051 7.152 1.00 0.27 O ATOM 1162 CB ARG A 90 7.892 -20.519 5.662 1.00 0.33 C ATOM 1163 CG ARG A 90 7.051 -21.795 5.662 1.00 0.38 C ATOM 1164 CD ARG A 90 6.469 -22.012 4.265 1.00 0.50 C ATOM 1165 NE ARG A 90 5.973 -23.416 4.265 1.00 0.57 N ATOM 1166 CZ ARG A 90 5.035 -23.777 3.433 1.00 0.53 C ATOM 1167 NH1 ARG A 90 5.345 -24.152 2.222 1.00 0.61 N ATOM 1168 NH2 ARG A 90 3.786 -23.761 3.811 1.00 0.77 N ATOM 0 H ARG A 90 6.654 -19.080 7.113 1.00 0.26 H new ATOM 0 HA ARG A 90 8.613 -21.183 7.608 1.00 0.28 H new ATOM 0 HB2 ARG A 90 7.288 -19.675 5.329 1.00 0.33 H new ATOM 0 HB3 ARG A 90 8.718 -20.617 4.958 1.00 0.33 H new ATOM 0 HG2 ARG A 90 7.664 -22.649 5.951 1.00 0.38 H new ATOM 0 HG3 ARG A 90 6.248 -21.716 6.395 1.00 0.38 H new ATOM 0 HD2 ARG A 90 5.662 -21.309 4.061 1.00 0.50 H new ATOM 0 HD3 ARG A 90 7.226 -21.861 3.495 1.00 0.50 H new ATOM 0 HE ARG A 90 6.367 -24.096 4.916 1.00 0.57 H new ATOM 0 HH11 ARG A 90 6.321 -24.163 1.926 1.00 0.61 H new ATOM 0 HH12 ARG A 90 4.611 -24.434 1.572 1.00 0.61 H new ATOM 0 HH21 ARG A 90 3.543 -23.466 4.757 1.00 0.77 H new ATOM 0 HH22 ARG A 90 3.053 -24.043 3.161 1.00 0.77 H new ATOM 1182 N MET A 91 9.670 -18.191 6.773 1.00 0.24 N ATOM 1183 CA MET A 91 10.907 -17.363 6.702 1.00 0.25 C ATOM 1184 C MET A 91 11.650 -17.505 8.020 1.00 0.21 C ATOM 1185 O MET A 91 12.861 -17.618 8.059 1.00 0.24 O ATOM 1186 CB MET A 91 10.426 -15.925 6.488 1.00 0.28 C ATOM 1187 CG MET A 91 11.288 -15.251 5.419 1.00 0.46 C ATOM 1188 SD MET A 91 10.653 -13.588 5.093 1.00 0.69 S ATOM 1189 CE MET A 91 9.214 -14.082 4.113 1.00 0.56 C ATOM 0 H MET A 91 8.799 -17.677 6.641 1.00 0.24 H new ATOM 0 HA MET A 91 11.584 -17.662 5.902 1.00 0.25 H new ATOM 0 HB2 MET A 91 9.380 -15.922 6.181 1.00 0.28 H new ATOM 0 HB3 MET A 91 10.486 -15.368 7.423 1.00 0.28 H new ATOM 0 HG2 MET A 91 12.324 -15.197 5.753 1.00 0.46 H new ATOM 0 HG3 MET A 91 11.278 -15.842 4.503 1.00 0.46 H new ATOM 0 HE1 MET A 91 9.461 -14.030 3.053 1.00 0.56 H new ATOM 0 HE2 MET A 91 8.932 -15.103 4.370 1.00 0.56 H new ATOM 0 HE3 MET A 91 8.382 -13.411 4.325 1.00 0.56 H new ATOM 1199 N LEU A 92 10.916 -17.539 9.101 1.00 0.20 N ATOM 1200 CA LEU A 92 11.554 -17.718 10.431 1.00 0.20 C ATOM 1201 C LEU A 92 12.219 -19.078 10.462 1.00 0.20 C ATOM 1202 O LEU A 92 13.344 -19.214 10.901 1.00 0.23 O ATOM 1203 CB LEU A 92 10.417 -17.621 11.429 1.00 0.22 C ATOM 1204 CG LEU A 92 9.867 -16.207 11.350 1.00 0.24 C ATOM 1205 CD1 LEU A 92 8.372 -16.207 11.684 1.00 0.29 C ATOM 1206 CD2 LEU A 92 10.621 -15.310 12.338 1.00 0.31 C ATOM 0 H LEU A 92 9.900 -17.450 9.116 1.00 0.20 H new ATOM 0 HA LEU A 92 12.322 -16.978 10.655 1.00 0.20 H new ATOM 0 HB2 LEU A 92 9.640 -18.349 11.198 1.00 0.22 H new ATOM 0 HB3 LEU A 92 10.770 -17.840 12.437 1.00 0.22 H new ATOM 0 HG LEU A 92 10.002 -15.825 10.338 1.00 0.24 H new ATOM 0 HD11 LEU A 92 7.986 -15.189 11.625 1.00 0.29 H new ATOM 0 HD12 LEU A 92 7.840 -16.839 10.972 1.00 0.29 H new ATOM 0 HD13 LEU A 92 8.225 -16.593 12.693 1.00 0.29 H new ATOM 0 HD21 LEU A 92 10.227 -14.295 12.282 1.00 0.31 H new ATOM 0 HD22 LEU A 92 10.492 -15.694 13.350 1.00 0.31 H new ATOM 0 HD23 LEU A 92 11.681 -15.302 12.086 1.00 0.31 H new ATOM 1218 N ASN A 93 11.549 -20.079 9.942 1.00 0.21 N ATOM 1219 CA ASN A 93 12.169 -21.431 9.881 1.00 0.24 C ATOM 1220 C ASN A 93 13.513 -21.296 9.160 1.00 0.25 C ATOM 1221 O ASN A 93 14.431 -22.065 9.377 1.00 0.32 O ATOM 1222 CB ASN A 93 11.196 -22.297 9.075 1.00 0.28 C ATOM 1223 CG ASN A 93 10.680 -23.440 9.951 1.00 0.38 C ATOM 1224 OD1 ASN A 93 11.291 -24.488 10.025 1.00 0.49 O ATOM 1225 ND2 ASN A 93 9.573 -23.282 10.623 1.00 0.65 N ATOM 0 H ASN A 93 10.605 -20.014 9.560 1.00 0.21 H new ATOM 0 HA ASN A 93 12.347 -21.873 10.861 1.00 0.24 H new ATOM 0 HB2 ASN A 93 10.362 -21.691 8.721 1.00 0.28 H new ATOM 0 HB3 ASN A 93 11.695 -22.698 8.193 1.00 0.28 H new ATOM 0 HD21 ASN A 93 9.221 -24.038 11.210 1.00 0.65 H new ATOM 0 HD22 ASN A 93 9.060 -22.403 10.561 1.00 0.65 H new ATOM 1232 N ILE A 94 13.632 -20.290 8.318 1.00 0.23 N ATOM 1233 CA ILE A 94 14.918 -20.063 7.595 1.00 0.26 C ATOM 1234 C ILE A 94 15.880 -19.261 8.479 1.00 0.25 C ATOM 1235 O ILE A 94 17.065 -19.541 8.509 1.00 0.31 O ATOM 1236 CB ILE A 94 14.600 -19.259 6.320 1.00 0.27 C ATOM 1237 CG1 ILE A 94 13.229 -19.660 5.757 1.00 0.31 C ATOM 1238 CG2 ILE A 94 15.691 -19.529 5.274 1.00 0.32 C ATOM 1239 CD1 ILE A 94 13.033 -19.071 4.356 1.00 0.46 C ATOM 0 H ILE A 94 12.892 -19.621 8.105 1.00 0.23 H new ATOM 0 HA ILE A 94 15.387 -21.015 7.346 1.00 0.26 H new ATOM 0 HB ILE A 94 14.573 -18.197 6.564 1.00 0.27 H new ATOM 0 HG12 ILE A 94 13.149 -20.746 5.716 1.00 0.31 H new ATOM 0 HG13 ILE A 94 12.439 -19.307 6.420 1.00 0.31 H new ATOM 0 HG21 ILE A 94 15.474 -18.964 4.368 1.00 0.32 H new ATOM 0 HG22 ILE A 94 16.659 -19.222 5.670 1.00 0.32 H new ATOM 0 HG23 ILE A 94 15.716 -20.593 5.041 1.00 0.32 H new ATOM 0 HD11 ILE A 94 12.056 -19.365 3.971 1.00 0.46 H new ATOM 0 HD12 ILE A 94 13.091 -17.984 4.407 1.00 0.46 H new ATOM 0 HD13 ILE A 94 13.812 -19.445 3.692 1.00 0.46 H new ATOM 1251 N LEU A 95 15.403 -18.254 9.191 1.00 0.24 N ATOM 1252 CA LEU A 95 16.351 -17.459 10.040 1.00 0.25 C ATOM 1253 C LEU A 95 16.420 -18.021 11.467 1.00 0.27 C ATOM 1254 O LEU A 95 16.944 -17.388 12.363 1.00 0.33 O ATOM 1255 CB LEU A 95 15.832 -16.017 10.035 1.00 0.26 C ATOM 1256 CG LEU A 95 14.397 -15.969 10.550 1.00 0.25 C ATOM 1257 CD1 LEU A 95 14.368 -15.318 11.934 1.00 0.38 C ATOM 1258 CD2 LEU A 95 13.544 -15.145 9.582 1.00 0.33 C ATOM 0 H LEU A 95 14.427 -17.959 9.219 1.00 0.24 H new ATOM 0 HA LEU A 95 17.366 -17.508 9.645 1.00 0.25 H new ATOM 0 HB2 LEU A 95 16.471 -15.391 10.659 1.00 0.26 H new ATOM 0 HB3 LEU A 95 15.877 -15.611 9.025 1.00 0.26 H new ATOM 0 HG LEU A 95 14.001 -16.982 10.621 1.00 0.25 H new ATOM 0 HD11 LEU A 95 13.342 -15.285 12.299 1.00 0.38 H new ATOM 0 HD12 LEU A 95 14.980 -15.900 12.623 1.00 0.38 H new ATOM 0 HD13 LEU A 95 14.762 -14.304 11.867 1.00 0.38 H new ATOM 0 HD21 LEU A 95 12.517 -15.107 9.944 1.00 0.33 H new ATOM 0 HD22 LEU A 95 13.943 -14.133 9.516 1.00 0.33 H new ATOM 0 HD23 LEU A 95 13.564 -15.608 8.595 1.00 0.33 H new ATOM 1270 N ASN A 96 15.915 -19.212 11.675 1.00 0.30 N ATOM 1271 CA ASN A 96 15.969 -19.836 13.034 1.00 0.35 C ATOM 1272 C ASN A 96 16.934 -21.026 13.019 1.00 0.41 C ATOM 1273 O ASN A 96 17.374 -21.497 14.051 1.00 0.46 O ATOM 1274 CB ASN A 96 14.549 -20.323 13.315 1.00 0.39 C ATOM 1275 CG ASN A 96 13.718 -19.183 13.911 1.00 0.50 C ATOM 1276 OD1 ASN A 96 13.650 -18.040 13.286 1.00 0.85 O flip ATOM 1277 ND2 ASN A 96 13.124 -19.335 14.960 1.00 0.54 N flip ATOM 0 H ASN A 96 15.465 -19.782 10.958 1.00 0.30 H new ATOM 0 HA ASN A 96 16.316 -19.135 13.793 1.00 0.35 H new ATOM 0 HB2 ASN A 96 14.088 -20.678 12.394 1.00 0.39 H new ATOM 0 HB3 ASN A 96 14.574 -21.166 14.005 1.00 0.39 H new ATOM 0 HD21 ASN A 96 13.176 -20.228 15.451 1.00 0.54 H new ATOM 0 HD22 ASN A 96 12.574 -18.570 15.350 1.00 0.54 H new ATOM 1738 N PRO B 43 11.017 0.604 11.985 1.00 0.38 N ATOM 1739 CA PRO B 43 10.510 -0.668 11.436 1.00 0.35 C ATOM 1740 C PRO B 43 11.660 -1.613 11.067 1.00 0.30 C ATOM 1741 O PRO B 43 11.659 -2.774 11.431 1.00 0.34 O ATOM 1742 CB PRO B 43 9.770 -0.226 10.180 1.00 0.42 C ATOM 1743 CG PRO B 43 10.403 1.074 9.768 1.00 0.45 C ATOM 1744 CD PRO B 43 11.217 1.598 10.929 1.00 0.45 C ATOM 0 HA PRO B 43 9.889 -1.216 12.144 1.00 0.35 H new ATOM 0 HB2 PRO B 43 9.860 -0.972 9.390 1.00 0.42 H new ATOM 0 HB3 PRO B 43 8.706 -0.097 10.378 1.00 0.42 H new ATOM 0 HG2 PRO B 43 11.039 0.926 8.895 1.00 0.45 H new ATOM 0 HG3 PRO B 43 9.637 1.796 9.486 1.00 0.45 H new ATOM 0 HD2 PRO B 43 12.270 1.693 10.666 1.00 0.45 H new ATOM 0 HD3 PRO B 43 10.876 2.585 11.241 1.00 0.45 H new ATOM 1752 N LEU B 44 12.622 -1.125 10.323 1.00 0.28 N ATOM 1753 CA LEU B 44 13.768 -1.983 9.888 1.00 0.26 C ATOM 1754 C LEU B 44 13.255 -3.186 9.092 1.00 0.26 C ATOM 1755 O LEU B 44 13.948 -4.172 8.923 1.00 0.36 O ATOM 1756 CB LEU B 44 14.468 -2.446 11.167 1.00 0.31 C ATOM 1757 CG LEU B 44 15.858 -2.977 10.800 1.00 0.41 C ATOM 1758 CD1 LEU B 44 16.913 -2.354 11.720 1.00 0.70 C ATOM 1759 CD2 LEU B 44 15.886 -4.504 10.946 1.00 0.61 C ATOM 0 H LEU B 44 12.663 -0.160 9.995 1.00 0.28 H new ATOM 0 HA LEU B 44 14.453 -1.435 9.242 1.00 0.26 H new ATOM 0 HB2 LEU B 44 14.553 -1.619 11.872 1.00 0.31 H new ATOM 0 HB3 LEU B 44 13.883 -3.224 11.658 1.00 0.31 H new ATOM 0 HG LEU B 44 16.079 -2.709 9.767 1.00 0.41 H new ATOM 0 HD11 LEU B 44 17.899 -2.736 11.454 1.00 0.70 H new ATOM 0 HD12 LEU B 44 16.901 -1.270 11.606 1.00 0.70 H new ATOM 0 HD13 LEU B 44 16.691 -2.613 12.755 1.00 0.70 H new ATOM 0 HD21 LEU B 44 16.876 -4.876 10.684 1.00 0.61 H new ATOM 0 HD22 LEU B 44 15.657 -4.775 11.977 1.00 0.61 H new ATOM 0 HD23 LEU B 44 15.144 -4.947 10.281 1.00 0.61 H new ATOM 1771 N LYS B 45 12.050 -3.100 8.592 1.00 0.22 N ATOM 1772 CA LYS B 45 11.481 -4.224 7.791 1.00 0.23 C ATOM 1773 C LYS B 45 11.817 -4.024 6.311 1.00 0.24 C ATOM 1774 O LYS B 45 11.835 -4.961 5.544 1.00 0.28 O ATOM 1775 CB LYS B 45 9.967 -4.168 8.028 1.00 0.27 C ATOM 1776 CG LYS B 45 9.394 -2.847 7.504 1.00 0.31 C ATOM 1777 CD LYS B 45 8.207 -2.426 8.375 1.00 0.67 C ATOM 1778 CE LYS B 45 7.092 -3.468 8.264 1.00 0.40 C ATOM 1779 NZ LYS B 45 5.992 -2.945 9.120 1.00 0.33 N ATOM 0 H LYS B 45 11.433 -2.296 8.705 1.00 0.22 H new ATOM 0 HA LYS B 45 11.888 -5.193 8.081 1.00 0.23 H new ATOM 0 HB2 LYS B 45 9.483 -5.006 7.527 1.00 0.27 H new ATOM 0 HB3 LYS B 45 9.755 -4.267 9.093 1.00 0.27 H new ATOM 0 HG2 LYS B 45 10.162 -2.074 7.518 1.00 0.31 H new ATOM 0 HG3 LYS B 45 9.076 -2.961 6.468 1.00 0.31 H new ATOM 0 HD2 LYS B 45 8.523 -2.326 9.413 1.00 0.67 H new ATOM 0 HD3 LYS B 45 7.839 -1.450 8.058 1.00 0.67 H new ATOM 0 HE2 LYS B 45 6.765 -3.589 7.231 1.00 0.40 H new ATOM 0 HE3 LYS B 45 7.429 -4.446 8.608 1.00 0.40 H new ATOM 0 HZ1 LYS B 45 5.295 -3.698 9.289 1.00 0.33 H new ATOM 0 HZ2 LYS B 45 6.382 -2.624 10.029 1.00 0.33 H new ATOM 0 HZ3 LYS B 45 5.529 -2.146 8.641 1.00 0.33 H new ATOM 1793 N LEU B 46 12.081 -2.798 5.921 1.00 0.23 N ATOM 1794 CA LEU B 46 12.433 -2.476 4.497 1.00 0.24 C ATOM 1795 C LEU B 46 13.251 -3.603 3.837 1.00 0.25 C ATOM 1796 O LEU B 46 12.984 -3.996 2.714 1.00 0.26 O ATOM 1797 CB LEU B 46 13.285 -1.203 4.600 1.00 0.28 C ATOM 1798 CG LEU B 46 12.792 -0.145 3.606 1.00 0.37 C ATOM 1799 CD1 LEU B 46 12.735 -0.736 2.193 1.00 0.45 C ATOM 1800 CD2 LEU B 46 11.398 0.332 4.022 1.00 0.47 C ATOM 0 H LEU B 46 12.067 -1.989 6.543 1.00 0.23 H new ATOM 0 HA LEU B 46 11.541 -2.354 3.882 1.00 0.24 H new ATOM 0 HB2 LEU B 46 13.237 -0.807 5.615 1.00 0.28 H new ATOM 0 HB3 LEU B 46 14.330 -1.440 4.399 1.00 0.28 H new ATOM 0 HG LEU B 46 13.483 0.698 3.608 1.00 0.37 H new ATOM 0 HD11 LEU B 46 12.384 0.024 1.495 1.00 0.45 H new ATOM 0 HD12 LEU B 46 13.730 -1.068 1.897 1.00 0.45 H new ATOM 0 HD13 LEU B 46 12.051 -1.584 2.181 1.00 0.45 H new ATOM 0 HD21 LEU B 46 11.045 1.084 3.317 1.00 0.47 H new ATOM 0 HD22 LEU B 46 10.710 -0.513 4.025 1.00 0.47 H new ATOM 0 HD23 LEU B 46 11.445 0.765 5.021 1.00 0.47 H new ATOM 1812 N PHE B 47 14.234 -4.130 4.531 1.00 0.25 N ATOM 1813 CA PHE B 47 15.063 -5.229 3.948 1.00 0.26 C ATOM 1814 C PHE B 47 14.241 -6.510 3.933 1.00 0.26 C ATOM 1815 O PHE B 47 14.175 -7.214 2.943 1.00 0.29 O ATOM 1816 CB PHE B 47 16.274 -5.358 4.888 1.00 0.28 C ATOM 1817 CG PHE B 47 16.865 -6.750 4.792 1.00 0.29 C ATOM 1818 CD1 PHE B 47 17.156 -7.306 3.540 1.00 0.34 C ATOM 1819 CD2 PHE B 47 17.115 -7.486 5.958 1.00 0.36 C ATOM 1820 CE1 PHE B 47 17.697 -8.595 3.454 1.00 0.39 C ATOM 1821 CE2 PHE B 47 17.655 -8.776 5.870 1.00 0.41 C ATOM 1822 CZ PHE B 47 17.945 -9.329 4.619 1.00 0.40 C ATOM 0 H PHE B 47 14.496 -3.845 5.475 1.00 0.25 H new ATOM 0 HA PHE B 47 15.381 -5.032 2.924 1.00 0.26 H new ATOM 0 HB2 PHE B 47 17.028 -4.616 4.625 1.00 0.28 H new ATOM 0 HB3 PHE B 47 15.970 -5.154 5.915 1.00 0.28 H new ATOM 0 HD1 PHE B 47 16.963 -6.740 2.640 1.00 0.34 H new ATOM 0 HD2 PHE B 47 16.891 -7.059 6.924 1.00 0.36 H new ATOM 0 HE1 PHE B 47 17.923 -9.022 2.488 1.00 0.39 H new ATOM 0 HE2 PHE B 47 17.847 -9.343 6.769 1.00 0.41 H new ATOM 0 HZ PHE B 47 18.361 -10.324 4.552 1.00 0.40 H new ATOM 1832 N MET B 48 13.609 -6.801 5.032 1.00 0.27 N ATOM 1833 CA MET B 48 12.769 -8.022 5.120 1.00 0.29 C ATOM 1834 C MET B 48 11.672 -7.977 4.058 1.00 0.29 C ATOM 1835 O MET B 48 11.578 -8.851 3.225 1.00 0.35 O ATOM 1836 CB MET B 48 12.158 -7.973 6.520 1.00 0.34 C ATOM 1837 CG MET B 48 12.269 -9.350 7.168 1.00 0.46 C ATOM 1838 SD MET B 48 13.493 -9.305 8.500 1.00 0.50 S ATOM 1839 CE MET B 48 14.906 -8.811 7.485 1.00 0.47 C ATOM 0 H MET B 48 13.639 -6.238 5.882 1.00 0.27 H new ATOM 0 HA MET B 48 13.340 -8.936 4.953 1.00 0.29 H new ATOM 0 HB2 MET B 48 12.673 -7.230 7.128 1.00 0.34 H new ATOM 0 HB3 MET B 48 11.113 -7.669 6.463 1.00 0.34 H new ATOM 0 HG2 MET B 48 11.300 -9.655 7.563 1.00 0.46 H new ATOM 0 HG3 MET B 48 12.557 -10.091 6.422 1.00 0.46 H new ATOM 0 HE1 MET B 48 15.830 -8.993 8.034 1.00 0.47 H new ATOM 0 HE2 MET B 48 14.912 -9.392 6.563 1.00 0.47 H new ATOM 0 HE3 MET B 48 14.829 -7.750 7.245 1.00 0.47 H new ATOM 1849 N ALA B 49 10.848 -6.959 4.094 1.00 0.28 N ATOM 1850 CA ALA B 49 9.736 -6.827 3.099 1.00 0.31 C ATOM 1851 C ALA B 49 10.248 -7.022 1.668 1.00 0.29 C ATOM 1852 O ALA B 49 9.648 -7.734 0.885 1.00 0.33 O ATOM 1853 CB ALA B 49 9.204 -5.404 3.284 1.00 0.36 C ATOM 0 H ALA B 49 10.898 -6.204 4.778 1.00 0.28 H new ATOM 0 HA ALA B 49 8.966 -7.582 3.256 1.00 0.31 H new ATOM 0 HB1 ALA B 49 8.384 -5.229 2.588 1.00 0.36 H new ATOM 0 HB2 ALA B 49 8.846 -5.280 4.306 1.00 0.36 H new ATOM 0 HB3 ALA B 49 10.003 -4.689 3.090 1.00 0.36 H new ATOM 1859 N LEU B 50 11.344 -6.393 1.316 1.00 0.27 N ATOM 1860 CA LEU B 50 11.876 -6.549 -0.074 1.00 0.28 C ATOM 1861 C LEU B 50 12.148 -8.025 -0.383 1.00 0.27 C ATOM 1862 O LEU B 50 11.578 -8.587 -1.303 1.00 0.31 O ATOM 1863 CB LEU B 50 13.173 -5.742 -0.108 1.00 0.33 C ATOM 1864 CG LEU B 50 13.285 -5.020 -1.453 1.00 0.53 C ATOM 1865 CD1 LEU B 50 12.127 -4.025 -1.603 1.00 0.92 C ATOM 1866 CD2 LEU B 50 14.617 -4.269 -1.517 1.00 0.62 C ATOM 0 H LEU B 50 11.889 -5.783 1.926 1.00 0.27 H new ATOM 0 HA LEU B 50 11.165 -6.198 -0.822 1.00 0.28 H new ATOM 0 HB2 LEU B 50 13.186 -5.019 0.708 1.00 0.33 H new ATOM 0 HB3 LEU B 50 14.029 -6.401 0.036 1.00 0.33 H new ATOM 0 HG LEU B 50 13.239 -5.750 -2.261 1.00 0.53 H new ATOM 0 HD11 LEU B 50 12.209 -3.513 -2.561 1.00 0.92 H new ATOM 0 HD12 LEU B 50 11.179 -4.561 -1.558 1.00 0.92 H new ATOM 0 HD13 LEU B 50 12.169 -3.294 -0.796 1.00 0.92 H new ATOM 0 HD21 LEU B 50 14.699 -3.754 -2.474 1.00 0.62 H new ATOM 0 HD22 LEU B 50 14.663 -3.540 -0.708 1.00 0.62 H new ATOM 0 HD23 LEU B 50 15.439 -4.977 -1.415 1.00 0.62 H new ATOM 1878 N VAL B 51 13.007 -8.661 0.376 1.00 0.25 N ATOM 1879 CA VAL B 51 13.303 -10.096 0.121 1.00 0.27 C ATOM 1880 C VAL B 51 12.020 -10.920 0.282 1.00 0.26 C ATOM 1881 O VAL B 51 11.760 -11.824 -0.486 1.00 0.30 O ATOM 1882 CB VAL B 51 14.362 -10.475 1.164 1.00 0.30 C ATOM 1883 CG1 VAL B 51 14.455 -11.994 1.288 1.00 0.53 C ATOM 1884 CG2 VAL B 51 15.719 -9.921 0.724 1.00 0.53 C ATOM 0 H VAL B 51 13.513 -8.245 1.158 1.00 0.25 H new ATOM 0 HA VAL B 51 13.668 -10.286 -0.888 1.00 0.27 H new ATOM 0 HB VAL B 51 14.082 -10.055 2.130 1.00 0.30 H new ATOM 0 HG11 VAL B 51 15.210 -12.253 2.031 1.00 0.53 H new ATOM 0 HG12 VAL B 51 13.489 -12.394 1.597 1.00 0.53 H new ATOM 0 HG13 VAL B 51 14.733 -12.421 0.325 1.00 0.53 H new ATOM 0 HG21 VAL B 51 16.477 -10.187 1.461 1.00 0.53 H new ATOM 0 HG22 VAL B 51 15.989 -10.345 -0.243 1.00 0.53 H new ATOM 0 HG23 VAL B 51 15.659 -8.836 0.640 1.00 0.53 H new ATOM 1894 N ALA B 52 11.211 -10.599 1.263 1.00 0.26 N ATOM 1895 CA ALA B 52 9.933 -11.349 1.470 1.00 0.27 C ATOM 1896 C ALA B 52 9.065 -11.243 0.216 1.00 0.27 C ATOM 1897 O ALA B 52 8.592 -12.237 -0.304 1.00 0.33 O ATOM 1898 CB ALA B 52 9.248 -10.667 2.655 1.00 0.29 C ATOM 0 H ALA B 52 11.382 -9.847 1.931 1.00 0.26 H new ATOM 0 HA ALA B 52 10.101 -12.409 1.662 1.00 0.27 H new ATOM 0 HB1 ALA B 52 8.302 -11.166 2.864 1.00 0.29 H new ATOM 0 HB2 ALA B 52 9.892 -10.728 3.532 1.00 0.29 H new ATOM 0 HB3 ALA B 52 9.061 -9.620 2.414 1.00 0.29 H new ATOM 1904 N PHE B 53 8.870 -10.042 -0.278 1.00 0.26 N ATOM 1905 CA PHE B 53 8.051 -9.847 -1.517 1.00 0.28 C ATOM 1906 C PHE B 53 8.547 -10.810 -2.600 1.00 0.27 C ATOM 1907 O PHE B 53 7.813 -11.656 -3.091 1.00 0.28 O ATOM 1908 CB PHE B 53 8.304 -8.389 -1.917 1.00 0.32 C ATOM 1909 CG PHE B 53 7.678 -8.098 -3.261 1.00 0.33 C ATOM 1910 CD1 PHE B 53 6.341 -8.434 -3.502 1.00 0.44 C ATOM 1911 CD2 PHE B 53 8.438 -7.487 -4.264 1.00 0.47 C ATOM 1912 CE1 PHE B 53 5.765 -8.159 -4.748 1.00 0.49 C ATOM 1913 CE2 PHE B 53 7.862 -7.211 -5.510 1.00 0.51 C ATOM 1914 CZ PHE B 53 6.525 -7.548 -5.752 1.00 0.45 C ATOM 0 H PHE B 53 9.245 -9.184 0.127 1.00 0.26 H new ATOM 0 HA PHE B 53 6.989 -10.044 -1.373 1.00 0.28 H new ATOM 0 HB2 PHE B 53 7.889 -7.721 -1.163 1.00 0.32 H new ATOM 0 HB3 PHE B 53 9.376 -8.197 -1.958 1.00 0.32 H new ATOM 0 HD1 PHE B 53 5.754 -8.905 -2.727 1.00 0.44 H new ATOM 0 HD2 PHE B 53 9.470 -7.228 -4.077 1.00 0.47 H new ATOM 0 HE1 PHE B 53 4.733 -8.419 -4.935 1.00 0.49 H new ATOM 0 HE2 PHE B 53 8.449 -6.738 -6.284 1.00 0.51 H new ATOM 0 HZ PHE B 53 6.080 -7.337 -6.713 1.00 0.45 H new ATOM 1924 N LEU B 54 9.804 -10.707 -2.944 1.00 0.28 N ATOM 1925 CA LEU B 54 10.374 -11.630 -3.963 1.00 0.30 C ATOM 1926 C LEU B 54 10.190 -13.073 -3.482 1.00 0.28 C ATOM 1927 O LEU B 54 9.939 -13.969 -4.264 1.00 0.31 O ATOM 1928 CB LEU B 54 11.857 -11.260 -4.047 1.00 0.33 C ATOM 1929 CG LEU B 54 12.059 -10.138 -5.072 1.00 0.38 C ATOM 1930 CD1 LEU B 54 11.632 -10.625 -6.459 1.00 0.46 C ATOM 1931 CD2 LEU B 54 11.217 -8.922 -4.677 1.00 0.42 C ATOM 0 H LEU B 54 10.458 -10.024 -2.563 1.00 0.28 H new ATOM 0 HA LEU B 54 9.893 -11.547 -4.938 1.00 0.30 H new ATOM 0 HB2 LEU B 54 12.217 -10.940 -3.069 1.00 0.33 H new ATOM 0 HB3 LEU B 54 12.443 -12.134 -4.332 1.00 0.33 H new ATOM 0 HG LEU B 54 13.112 -9.858 -5.095 1.00 0.38 H new ATOM 0 HD11 LEU B 54 11.777 -9.826 -7.186 1.00 0.46 H new ATOM 0 HD12 LEU B 54 12.235 -11.487 -6.743 1.00 0.46 H new ATOM 0 HD13 LEU B 54 10.580 -10.909 -6.437 1.00 0.46 H new ATOM 0 HD21 LEU B 54 11.362 -8.126 -5.407 1.00 0.42 H new ATOM 0 HD22 LEU B 54 10.164 -9.202 -4.650 1.00 0.42 H new ATOM 0 HD23 LEU B 54 11.524 -8.571 -3.692 1.00 0.42 H new ATOM 1943 N ARG B 55 10.290 -13.291 -2.191 1.00 0.27 N ATOM 1944 CA ARG B 55 10.104 -14.667 -1.636 1.00 0.27 C ATOM 1945 C ARG B 55 8.640 -15.098 -1.771 1.00 0.26 C ATOM 1946 O ARG B 55 8.308 -16.257 -1.611 1.00 0.32 O ATOM 1947 CB ARG B 55 10.502 -14.571 -0.161 1.00 0.30 C ATOM 1948 CG ARG B 55 10.817 -15.969 0.376 1.00 0.43 C ATOM 1949 CD ARG B 55 9.580 -16.541 1.073 1.00 0.93 C ATOM 1950 NE ARG B 55 9.579 -17.989 0.726 1.00 0.74 N ATOM 1951 CZ ARG B 55 8.474 -18.679 0.805 1.00 0.93 C ATOM 1952 NH1 ARG B 55 7.668 -18.738 -0.219 1.00 0.75 N ATOM 1953 NH2 ARG B 55 8.176 -19.309 1.908 1.00 1.55 N ATOM 0 H ARG B 55 10.493 -12.571 -1.497 1.00 0.27 H new ATOM 0 HA ARG B 55 10.705 -15.405 -2.167 1.00 0.27 H new ATOM 0 HB2 ARG B 55 11.371 -13.923 -0.050 1.00 0.30 H new ATOM 0 HB3 ARG B 55 9.694 -14.122 0.416 1.00 0.30 H new ATOM 0 HG2 ARG B 55 11.122 -16.623 -0.441 1.00 0.43 H new ATOM 0 HG3 ARG B 55 11.652 -15.922 1.075 1.00 0.43 H new ATOM 0 HD2 ARG B 55 9.631 -16.393 2.152 1.00 0.93 H new ATOM 0 HD3 ARG B 55 8.670 -16.051 0.727 1.00 0.93 H new ATOM 0 HE ARG B 55 10.442 -18.442 0.426 1.00 0.74 H new ATOM 0 HH11 ARG B 55 7.902 -18.245 -1.081 1.00 0.75 H new ATOM 0 HH12 ARG B 55 6.804 -19.277 -0.158 1.00 0.75 H new ATOM 0 HH21 ARG B 55 8.807 -19.262 2.708 1.00 1.55 H new ATOM 0 HH22 ARG B 55 7.312 -19.848 1.970 1.00 1.55 H new ATOM 1967 N PHE B 56 7.761 -14.177 -2.070 1.00 0.24 N ATOM 1968 CA PHE B 56 6.325 -14.543 -2.225 1.00 0.25 C ATOM 1969 C PHE B 56 6.009 -14.795 -3.699 1.00 0.26 C ATOM 1970 O PHE B 56 5.035 -15.447 -4.027 1.00 0.30 O ATOM 1971 CB PHE B 56 5.532 -13.331 -1.728 1.00 0.26 C ATOM 1972 CG PHE B 56 5.887 -13.006 -0.290 1.00 0.27 C ATOM 1973 CD1 PHE B 56 6.338 -14.007 0.587 1.00 0.33 C ATOM 1974 CD2 PHE B 56 5.752 -11.690 0.166 1.00 0.40 C ATOM 1975 CE1 PHE B 56 6.652 -13.685 1.912 1.00 0.34 C ATOM 1976 CE2 PHE B 56 6.067 -11.371 1.492 1.00 0.47 C ATOM 1977 CZ PHE B 56 6.517 -12.369 2.364 1.00 0.38 C ATOM 0 H PHE B 56 7.976 -13.190 -2.213 1.00 0.24 H new ATOM 0 HA PHE B 56 6.077 -15.447 -1.669 1.00 0.25 H new ATOM 0 HB2 PHE B 56 5.741 -12.469 -2.362 1.00 0.26 H new ATOM 0 HB3 PHE B 56 4.464 -13.533 -1.807 1.00 0.26 H new ATOM 0 HD1 PHE B 56 6.442 -15.024 0.239 1.00 0.33 H new ATOM 0 HD2 PHE B 56 5.404 -10.919 -0.506 1.00 0.40 H new ATOM 0 HE1 PHE B 56 6.999 -14.454 2.586 1.00 0.34 H new ATOM 0 HE2 PHE B 56 5.963 -10.355 1.842 1.00 0.47 H new ATOM 0 HZ PHE B 56 6.760 -12.122 3.387 1.00 0.38 H new ATOM 1987 N LEU B 57 6.809 -14.262 -4.592 1.00 0.27 N ATOM 1988 CA LEU B 57 6.527 -14.451 -6.049 1.00 0.29 C ATOM 1989 C LEU B 57 7.462 -15.489 -6.688 1.00 0.33 C ATOM 1990 O LEU B 57 7.040 -16.263 -7.527 1.00 0.41 O ATOM 1991 CB LEU B 57 6.748 -13.073 -6.681 1.00 0.31 C ATOM 1992 CG LEU B 57 6.073 -11.991 -5.827 1.00 0.29 C ATOM 1993 CD1 LEU B 57 6.256 -10.622 -6.489 1.00 0.39 C ATOM 1994 CD2 LEU B 57 4.577 -12.298 -5.685 1.00 0.36 C ATOM 0 H LEU B 57 7.638 -13.709 -4.377 1.00 0.27 H new ATOM 0 HA LEU B 57 5.516 -14.827 -6.205 1.00 0.29 H new ATOM 0 HB2 LEU B 57 7.815 -12.869 -6.765 1.00 0.31 H new ATOM 0 HB3 LEU B 57 6.340 -13.057 -7.692 1.00 0.31 H new ATOM 0 HG LEU B 57 6.532 -11.979 -4.838 1.00 0.29 H new ATOM 0 HD11 LEU B 57 5.776 -9.856 -5.880 1.00 0.39 H new ATOM 0 HD12 LEU B 57 7.319 -10.400 -6.578 1.00 0.39 H new ATOM 0 HD13 LEU B 57 5.803 -10.634 -7.481 1.00 0.39 H new ATOM 0 HD21 LEU B 57 4.103 -11.527 -5.078 1.00 0.36 H new ATOM 0 HD22 LEU B 57 4.114 -12.318 -6.672 1.00 0.36 H new ATOM 0 HD23 LEU B 57 4.449 -13.268 -5.204 1.00 0.36 H new ATOM 2006 N THR B 58 8.724 -15.505 -6.329 1.00 0.32 N ATOM 2007 CA THR B 58 9.659 -16.492 -6.964 1.00 0.39 C ATOM 2008 C THR B 58 10.771 -16.952 -6.003 1.00 0.37 C ATOM 2009 O THR B 58 11.513 -17.866 -6.313 1.00 0.42 O ATOM 2010 CB THR B 58 10.260 -15.731 -8.145 1.00 0.48 C ATOM 2011 OG1 THR B 58 9.218 -15.314 -9.017 1.00 0.90 O ATOM 2012 CG2 THR B 58 11.226 -16.639 -8.901 1.00 0.72 C ATOM 0 H THR B 58 9.144 -14.888 -5.634 1.00 0.32 H new ATOM 0 HA THR B 58 9.136 -17.403 -7.256 1.00 0.39 H new ATOM 0 HB THR B 58 10.799 -14.858 -7.778 1.00 0.48 H new ATOM 0 HG1 THR B 58 9.602 -14.824 -9.774 1.00 0.90 H new ATOM 0 HG21 THR B 58 11.654 -16.095 -9.743 1.00 0.72 H new ATOM 0 HG22 THR B 58 12.025 -16.958 -8.232 1.00 0.72 H new ATOM 0 HG23 THR B 58 10.690 -17.514 -9.269 1.00 0.72 H new ATOM 2020 N ILE B 59 10.896 -16.334 -4.856 1.00 0.34 N ATOM 2021 CA ILE B 59 11.961 -16.732 -3.879 1.00 0.33 C ATOM 2022 C ILE B 59 13.354 -16.746 -4.539 1.00 0.35 C ATOM 2023 O ILE B 59 14.012 -17.769 -4.575 1.00 0.37 O ATOM 2024 CB ILE B 59 11.572 -18.134 -3.396 1.00 0.34 C ATOM 2025 CG1 ILE B 59 10.224 -18.076 -2.672 1.00 0.35 C ATOM 2026 CG2 ILE B 59 12.640 -18.654 -2.424 1.00 0.36 C ATOM 2027 CD1 ILE B 59 9.085 -18.075 -3.695 1.00 0.36 C ATOM 0 H ILE B 59 10.302 -15.564 -4.550 1.00 0.34 H new ATOM 0 HA ILE B 59 12.026 -16.022 -3.054 1.00 0.33 H new ATOM 0 HB ILE B 59 11.497 -18.800 -4.255 1.00 0.34 H new ATOM 0 HG12 ILE B 59 10.123 -18.931 -2.003 1.00 0.35 H new ATOM 0 HG13 ILE B 59 10.171 -17.180 -2.054 1.00 0.35 H new ATOM 0 HG21 ILE B 59 12.364 -19.651 -2.080 1.00 0.36 H new ATOM 0 HG22 ILE B 59 13.603 -18.699 -2.932 1.00 0.36 H new ATOM 0 HG23 ILE B 59 12.712 -17.982 -1.569 1.00 0.36 H new ATOM 0 HD11 ILE B 59 8.128 -18.034 -3.174 1.00 0.36 H new ATOM 0 HD12 ILE B 59 9.182 -17.206 -4.346 1.00 0.36 H new ATOM 0 HD13 ILE B 59 9.133 -18.984 -4.294 1.00 0.36 H new ATOM 2039 N PRO B 60 13.766 -15.601 -5.028 1.00 0.37 N ATOM 2040 CA PRO B 60 15.087 -15.444 -5.657 1.00 0.41 C ATOM 2041 C PRO B 60 16.043 -14.686 -4.704 1.00 0.40 C ATOM 2042 O PRO B 60 16.476 -13.593 -5.022 1.00 0.47 O ATOM 2043 CB PRO B 60 14.740 -14.557 -6.854 1.00 0.50 C ATOM 2044 CG PRO B 60 13.495 -13.801 -6.442 1.00 0.50 C ATOM 2045 CD PRO B 60 13.052 -14.342 -5.097 1.00 0.42 C ATOM 0 HA PRO B 60 15.581 -16.382 -5.911 1.00 0.41 H new ATOM 0 HB2 PRO B 60 15.556 -13.873 -7.087 1.00 0.50 H new ATOM 0 HB3 PRO B 60 14.560 -15.155 -7.748 1.00 0.50 H new ATOM 0 HG2 PRO B 60 13.701 -12.733 -6.376 1.00 0.50 H new ATOM 0 HG3 PRO B 60 12.707 -13.929 -7.184 1.00 0.50 H new ATOM 0 HD2 PRO B 60 13.323 -13.674 -4.279 1.00 0.42 H new ATOM 0 HD3 PRO B 60 11.972 -14.482 -5.049 1.00 0.42 H new ATOM 2053 N PRO B 61 16.340 -15.263 -3.556 1.00 0.35 N ATOM 2054 CA PRO B 61 17.235 -14.579 -2.591 1.00 0.36 C ATOM 2055 C PRO B 61 18.667 -14.549 -3.122 1.00 0.37 C ATOM 2056 O PRO B 61 19.314 -15.572 -3.245 1.00 0.42 O ATOM 2057 CB PRO B 61 17.138 -15.428 -1.330 1.00 0.35 C ATOM 2058 CG PRO B 61 16.735 -16.779 -1.812 1.00 0.34 C ATOM 2059 CD PRO B 61 15.899 -16.569 -3.049 1.00 0.35 C ATOM 0 HA PRO B 61 16.954 -13.541 -2.414 1.00 0.36 H new ATOM 0 HB2 PRO B 61 18.091 -15.464 -0.803 1.00 0.35 H new ATOM 0 HB3 PRO B 61 16.404 -15.021 -0.634 1.00 0.35 H new ATOM 0 HG2 PRO B 61 17.612 -17.387 -2.037 1.00 0.34 H new ATOM 0 HG3 PRO B 61 16.167 -17.309 -1.047 1.00 0.34 H new ATOM 0 HD2 PRO B 61 16.065 -17.359 -3.782 1.00 0.35 H new ATOM 0 HD3 PRO B 61 14.834 -16.568 -2.816 1.00 0.35 H new ATOM 2067 N THR B 62 19.164 -13.380 -3.438 1.00 0.37 N ATOM 2068 CA THR B 62 20.557 -13.269 -3.965 1.00 0.38 C ATOM 2069 C THR B 62 21.546 -13.866 -2.951 1.00 0.35 C ATOM 2070 O THR B 62 21.190 -14.146 -1.823 1.00 0.35 O ATOM 2071 CB THR B 62 20.776 -11.759 -4.184 1.00 0.41 C ATOM 2072 OG1 THR B 62 21.202 -11.539 -5.521 1.00 0.51 O ATOM 2073 CG2 THR B 62 21.835 -11.214 -3.223 1.00 0.39 C ATOM 0 H THR B 62 18.663 -12.495 -3.353 1.00 0.37 H new ATOM 0 HA THR B 62 20.714 -13.820 -4.892 1.00 0.38 H new ATOM 0 HB THR B 62 19.836 -11.241 -3.995 1.00 0.41 H new ATOM 0 HG1 THR B 62 21.341 -10.580 -5.666 1.00 0.51 H new ATOM 0 HG21 THR B 62 21.971 -10.147 -3.398 1.00 0.39 H new ATOM 0 HG22 THR B 62 21.510 -11.375 -2.195 1.00 0.39 H new ATOM 0 HG23 THR B 62 22.779 -11.732 -3.390 1.00 0.39 H new ATOM 2081 N ALA B 63 22.775 -14.074 -3.355 1.00 0.37 N ATOM 2082 CA ALA B 63 23.797 -14.670 -2.434 1.00 0.37 C ATOM 2083 C ALA B 63 23.860 -13.911 -1.102 1.00 0.33 C ATOM 2084 O ALA B 63 23.881 -14.508 -0.042 1.00 0.35 O ATOM 2085 CB ALA B 63 25.124 -14.537 -3.182 1.00 0.42 C ATOM 0 H ALA B 63 23.118 -13.855 -4.290 1.00 0.37 H new ATOM 0 HA ALA B 63 23.557 -15.704 -2.186 1.00 0.37 H new ATOM 0 HB1 ALA B 63 25.928 -14.952 -2.574 1.00 0.42 H new ATOM 0 HB2 ALA B 63 25.066 -15.080 -4.125 1.00 0.42 H new ATOM 0 HB3 ALA B 63 25.326 -13.484 -3.381 1.00 0.42 H new ATOM 2091 N GLY B 64 23.907 -12.605 -1.154 1.00 0.33 N ATOM 2092 CA GLY B 64 23.987 -11.793 0.098 1.00 0.33 C ATOM 2093 C GLY B 64 22.836 -12.139 1.046 1.00 0.29 C ATOM 2094 O GLY B 64 23.045 -12.333 2.224 1.00 0.32 O ATOM 0 H GLY B 64 23.893 -12.062 -2.017 1.00 0.33 H new ATOM 0 HA2 GLY B 64 24.940 -11.975 0.595 1.00 0.33 H new ATOM 0 HA3 GLY B 64 23.954 -10.732 -0.149 1.00 0.33 H new ATOM 2098 N ILE B 65 21.627 -12.207 0.547 1.00 0.27 N ATOM 2099 CA ILE B 65 20.458 -12.533 1.423 1.00 0.27 C ATOM 2100 C ILE B 65 20.750 -13.781 2.259 1.00 0.26 C ATOM 2101 O ILE B 65 20.319 -13.893 3.390 1.00 0.28 O ATOM 2102 CB ILE B 65 19.290 -12.790 0.458 1.00 0.29 C ATOM 2103 CG1 ILE B 65 19.061 -11.563 -0.439 1.00 0.37 C ATOM 2104 CG2 ILE B 65 18.013 -13.079 1.254 1.00 0.30 C ATOM 2105 CD1 ILE B 65 18.974 -10.293 0.414 1.00 0.36 C ATOM 0 H ILE B 65 21.398 -12.050 -0.434 1.00 0.27 H new ATOM 0 HA ILE B 65 20.235 -11.729 2.124 1.00 0.27 H new ATOM 0 HB ILE B 65 19.536 -13.649 -0.166 1.00 0.29 H new ATOM 0 HG12 ILE B 65 19.875 -11.472 -1.158 1.00 0.37 H new ATOM 0 HG13 ILE B 65 18.142 -11.689 -1.012 1.00 0.37 H new ATOM 0 HG21 ILE B 65 17.188 -13.260 0.565 1.00 0.30 H new ATOM 0 HG22 ILE B 65 18.165 -13.960 1.878 1.00 0.30 H new ATOM 0 HG23 ILE B 65 17.776 -12.223 1.886 1.00 0.30 H new ATOM 0 HD11 ILE B 65 18.812 -9.431 -0.233 1.00 0.36 H new ATOM 0 HD12 ILE B 65 18.144 -10.382 1.115 1.00 0.36 H new ATOM 0 HD13 ILE B 65 19.904 -10.162 0.967 1.00 0.36 H new ATOM 2117 N LEU B 66 21.492 -14.709 1.710 1.00 0.28 N ATOM 2118 CA LEU B 66 21.823 -15.955 2.464 1.00 0.30 C ATOM 2119 C LEU B 66 22.964 -15.683 3.446 1.00 0.28 C ATOM 2120 O LEU B 66 22.844 -15.925 4.633 1.00 0.32 O ATOM 2121 CB LEU B 66 22.268 -16.971 1.403 1.00 0.37 C ATOM 2122 CG LEU B 66 21.054 -17.627 0.728 1.00 0.40 C ATOM 2123 CD1 LEU B 66 20.204 -18.367 1.768 1.00 0.51 C ATOM 2124 CD2 LEU B 66 20.204 -16.559 0.033 1.00 0.42 C ATOM 0 H LEU B 66 21.884 -14.657 0.770 1.00 0.28 H new ATOM 0 HA LEU B 66 20.974 -16.320 3.042 1.00 0.30 H new ATOM 0 HB2 LEU B 66 22.882 -16.473 0.652 1.00 0.37 H new ATOM 0 HB3 LEU B 66 22.890 -17.737 1.866 1.00 0.37 H new ATOM 0 HG LEU B 66 21.410 -18.343 -0.013 1.00 0.40 H new ATOM 0 HD11 LEU B 66 19.347 -18.827 1.276 1.00 0.51 H new ATOM 0 HD12 LEU B 66 20.806 -19.139 2.247 1.00 0.51 H new ATOM 0 HD13 LEU B 66 19.854 -17.661 2.521 1.00 0.51 H new ATOM 0 HD21 LEU B 66 19.345 -17.031 -0.444 1.00 0.42 H new ATOM 0 HD22 LEU B 66 19.857 -15.834 0.769 1.00 0.42 H new ATOM 0 HD23 LEU B 66 20.804 -16.051 -0.722 1.00 0.42 H new ATOM 2136 N LYS B 67 24.071 -15.181 2.956 1.00 0.28 N ATOM 2137 CA LYS B 67 25.231 -14.887 3.851 1.00 0.31 C ATOM 2138 C LYS B 67 24.808 -13.917 4.955 1.00 0.28 C ATOM 2139 O LYS B 67 25.196 -14.057 6.100 1.00 0.33 O ATOM 2140 CB LYS B 67 26.279 -14.240 2.945 1.00 0.35 C ATOM 2141 CG LYS B 67 27.011 -15.325 2.153 1.00 0.39 C ATOM 2142 CD LYS B 67 28.015 -16.033 3.065 1.00 0.46 C ATOM 2143 CE LYS B 67 29.140 -15.064 3.442 1.00 0.56 C ATOM 2144 NZ LYS B 67 29.256 -15.167 4.923 1.00 0.89 N ATOM 0 H LYS B 67 24.221 -14.962 1.971 1.00 0.28 H new ATOM 0 HA LYS B 67 25.614 -15.783 4.340 1.00 0.31 H new ATOM 0 HB2 LYS B 67 25.801 -13.537 2.263 1.00 0.35 H new ATOM 0 HB3 LYS B 67 26.990 -13.670 3.543 1.00 0.35 H new ATOM 0 HG2 LYS B 67 26.296 -16.044 1.754 1.00 0.39 H new ATOM 0 HG3 LYS B 67 27.527 -14.883 1.301 1.00 0.39 H new ATOM 0 HD2 LYS B 67 27.514 -16.392 3.964 1.00 0.46 H new ATOM 0 HD3 LYS B 67 28.428 -16.906 2.560 1.00 0.46 H new ATOM 0 HE2 LYS B 67 30.075 -15.336 2.953 1.00 0.56 H new ATOM 0 HE3 LYS B 67 28.903 -14.045 3.134 1.00 0.56 H new ATOM 0 HZ1 LYS B 67 30.008 -14.531 5.257 1.00 0.89 H new ATOM 0 HZ2 LYS B 67 28.353 -14.896 5.362 1.00 0.89 H new ATOM 0 HZ3 LYS B 67 29.488 -16.146 5.186 1.00 0.89 H new ATOM 2158 N ARG B 68 24.009 -12.940 4.616 1.00 0.25 N ATOM 2159 CA ARG B 68 23.545 -11.957 5.634 1.00 0.24 C ATOM 2160 C ARG B 68 22.485 -12.606 6.532 1.00 0.22 C ATOM 2161 O ARG B 68 22.329 -12.247 7.683 1.00 0.25 O ATOM 2162 CB ARG B 68 22.983 -10.774 4.824 1.00 0.26 C ATOM 2163 CG ARG B 68 21.455 -10.849 4.724 1.00 0.31 C ATOM 2164 CD ARG B 68 20.967 -9.863 3.657 1.00 0.34 C ATOM 2165 NE ARG B 68 20.914 -8.538 4.342 1.00 0.38 N ATOM 2166 CZ ARG B 68 22.018 -7.930 4.680 1.00 0.36 C ATOM 2167 NH1 ARG B 68 22.916 -7.654 3.774 1.00 0.41 N ATOM 2168 NH2 ARG B 68 22.225 -7.602 5.926 1.00 0.42 N ATOM 0 H ARG B 68 23.657 -12.781 3.672 1.00 0.25 H new ATOM 0 HA ARG B 68 24.340 -11.621 6.300 1.00 0.24 H new ATOM 0 HB2 ARG B 68 23.274 -9.835 5.296 1.00 0.26 H new ATOM 0 HB3 ARG B 68 23.416 -10.776 3.824 1.00 0.26 H new ATOM 0 HG2 ARG B 68 21.145 -11.862 4.468 1.00 0.31 H new ATOM 0 HG3 ARG B 68 21.004 -10.612 5.688 1.00 0.31 H new ATOM 0 HD2 ARG B 68 21.645 -9.838 2.804 1.00 0.34 H new ATOM 0 HD3 ARG B 68 19.986 -10.149 3.276 1.00 0.34 H new ATOM 0 HE ARG B 68 20.013 -8.107 4.546 1.00 0.38 H new ATOM 0 HH11 ARG B 68 22.755 -7.914 2.801 1.00 0.41 H new ATOM 0 HH12 ARG B 68 23.779 -7.179 4.039 1.00 0.41 H new ATOM 0 HH21 ARG B 68 21.524 -7.821 6.634 1.00 0.42 H new ATOM 0 HH22 ARG B 68 23.087 -7.127 6.192 1.00 0.42 H new ATOM 2182 N TRP B 69 21.766 -13.567 6.003 1.00 0.22 N ATOM 2183 CA TRP B 69 20.711 -14.274 6.796 1.00 0.23 C ATOM 2184 C TRP B 69 21.247 -14.732 8.160 1.00 0.25 C ATOM 2185 O TRP B 69 20.545 -14.689 9.153 1.00 0.31 O ATOM 2186 CB TRP B 69 20.370 -15.497 5.952 1.00 0.26 C ATOM 2187 CG TRP B 69 18.945 -15.889 6.155 1.00 0.24 C ATOM 2188 CD1 TRP B 69 18.540 -17.121 6.529 1.00 0.26 C ATOM 2189 CD2 TRP B 69 17.734 -15.089 5.994 1.00 0.24 C ATOM 2190 NE1 TRP B 69 17.164 -17.134 6.607 1.00 0.29 N ATOM 2191 CE2 TRP B 69 16.619 -15.911 6.288 1.00 0.27 C ATOM 2192 CE3 TRP B 69 17.489 -13.750 5.628 1.00 0.26 C ATOM 2193 CZ2 TRP B 69 15.315 -15.430 6.218 1.00 0.30 C ATOM 2194 CZ3 TRP B 69 16.173 -13.265 5.559 1.00 0.30 C ATOM 2195 CH2 TRP B 69 15.091 -14.106 5.854 1.00 0.31 C ATOM 0 H TRP B 69 21.867 -13.896 5.043 1.00 0.22 H new ATOM 0 HA TRP B 69 19.857 -13.627 6.997 1.00 0.23 H new ATOM 0 HB2 TRP B 69 20.548 -15.281 4.899 1.00 0.26 H new ATOM 0 HB3 TRP B 69 21.024 -16.326 6.222 1.00 0.26 H new ATOM 0 HD1 TRP B 69 19.189 -17.960 6.734 1.00 0.26 H new ATOM 0 HE1 TRP B 69 16.615 -17.952 6.870 1.00 0.29 H new ATOM 0 HE3 TRP B 69 18.317 -13.095 5.400 1.00 0.26 H new ATOM 0 HZ2 TRP B 69 14.483 -16.080 6.445 1.00 0.30 H new ATOM 0 HZ3 TRP B 69 15.993 -12.238 5.277 1.00 0.30 H new ATOM 0 HH2 TRP B 69 14.082 -13.726 5.799 1.00 0.31 H new ATOM 2206 N GLY B 70 22.473 -15.195 8.206 1.00 0.25 N ATOM 2207 CA GLY B 70 23.046 -15.687 9.497 1.00 0.30 C ATOM 2208 C GLY B 70 24.110 -14.722 10.027 1.00 0.32 C ATOM 2209 O GLY B 70 25.120 -15.142 10.561 1.00 0.40 O ATOM 0 H GLY B 70 23.101 -15.253 7.405 1.00 0.25 H new ATOM 0 HA2 GLY B 70 22.250 -15.797 10.234 1.00 0.30 H new ATOM 0 HA3 GLY B 70 23.485 -16.674 9.352 1.00 0.30 H new ATOM 2213 N THR B 71 23.891 -13.439 9.901 1.00 0.29 N ATOM 2214 CA THR B 71 24.893 -12.458 10.420 1.00 0.32 C ATOM 2215 C THR B 71 24.220 -11.111 10.718 1.00 0.33 C ATOM 2216 O THR B 71 24.871 -10.084 10.776 1.00 0.43 O ATOM 2217 CB THR B 71 25.950 -12.329 9.313 1.00 0.36 C ATOM 2218 OG1 THR B 71 27.190 -11.949 9.893 1.00 0.41 O ATOM 2219 CG2 THR B 71 25.527 -11.276 8.286 1.00 0.45 C ATOM 0 H THR B 71 23.066 -13.028 9.464 1.00 0.29 H new ATOM 0 HA THR B 71 25.344 -12.786 11.357 1.00 0.32 H new ATOM 0 HB THR B 71 26.051 -13.290 8.808 1.00 0.36 H new ATOM 0 HG1 THR B 71 27.868 -11.867 9.190 1.00 0.41 H new ATOM 0 HG21 THR B 71 26.288 -11.199 7.510 1.00 0.45 H new ATOM 0 HG22 THR B 71 24.578 -11.567 7.836 1.00 0.45 H new ATOM 0 HG23 THR B 71 25.413 -10.311 8.780 1.00 0.45 H new ATOM 2227 N ILE B 72 22.925 -11.113 10.918 1.00 0.32 N ATOM 2228 CA ILE B 72 22.208 -9.840 11.223 1.00 0.37 C ATOM 2229 C ILE B 72 21.891 -9.773 12.725 1.00 0.39 C ATOM 2230 O ILE B 72 22.768 -9.946 13.550 1.00 0.56 O ATOM 2231 CB ILE B 72 20.933 -9.876 10.369 1.00 0.37 C ATOM 2232 CG1 ILE B 72 20.108 -11.120 10.715 1.00 0.35 C ATOM 2233 CG2 ILE B 72 21.306 -9.909 8.885 1.00 0.45 C ATOM 2234 CD1 ILE B 72 18.621 -10.802 10.547 1.00 0.36 C ATOM 0 H ILE B 72 22.334 -11.944 10.883 1.00 0.32 H new ATOM 0 HA ILE B 72 22.800 -8.954 10.992 1.00 0.37 H new ATOM 0 HB ILE B 72 20.342 -8.983 10.576 1.00 0.37 H new ATOM 0 HG12 ILE B 72 20.390 -11.950 10.067 1.00 0.35 H new ATOM 0 HG13 ILE B 72 20.312 -11.432 11.739 1.00 0.35 H new ATOM 0 HG21 ILE B 72 20.398 -9.935 8.282 1.00 0.45 H new ATOM 0 HG22 ILE B 72 21.883 -9.019 8.635 1.00 0.45 H new ATOM 0 HG23 ILE B 72 21.903 -10.798 8.680 1.00 0.45 H new ATOM 0 HD11 ILE B 72 18.030 -11.685 10.792 1.00 0.36 H new ATOM 0 HD12 ILE B 72 18.346 -9.985 11.214 1.00 0.36 H new ATOM 0 HD13 ILE B 72 18.426 -10.510 9.515 1.00 0.36 H new ATOM 2246 N LYS B 73 20.659 -9.513 13.088 1.00 0.35 N ATOM 2247 CA LYS B 73 20.303 -9.424 14.537 1.00 0.37 C ATOM 2248 C LYS B 73 19.297 -10.502 14.922 1.00 0.31 C ATOM 2249 O LYS B 73 19.272 -10.953 16.050 1.00 0.34 O ATOM 2250 CB LYS B 73 19.664 -8.046 14.691 1.00 0.43 C ATOM 2251 CG LYS B 73 19.231 -7.838 16.139 1.00 0.51 C ATOM 2252 CD LYS B 73 20.463 -7.598 17.015 1.00 0.70 C ATOM 2253 CE LYS B 73 20.035 -7.481 18.479 1.00 0.85 C ATOM 2254 NZ LYS B 73 21.226 -6.933 19.185 1.00 0.91 N ATOM 0 H LYS B 73 19.884 -9.359 12.443 1.00 0.35 H new ATOM 0 HA LYS B 73 21.175 -9.565 15.176 1.00 0.37 H new ATOM 0 HB2 LYS B 73 20.373 -7.271 14.399 1.00 0.43 H new ATOM 0 HB3 LYS B 73 18.803 -7.958 14.028 1.00 0.43 H new ATOM 0 HG2 LYS B 73 18.553 -6.988 16.208 1.00 0.51 H new ATOM 0 HG3 LYS B 73 18.684 -8.711 16.495 1.00 0.51 H new ATOM 0 HD2 LYS B 73 21.171 -8.418 16.897 1.00 0.70 H new ATOM 0 HD3 LYS B 73 20.974 -6.688 16.701 1.00 0.70 H new ATOM 0 HE2 LYS B 73 19.174 -6.822 18.587 1.00 0.85 H new ATOM 0 HE3 LYS B 73 19.747 -8.451 18.885 1.00 0.85 H new ATOM 0 HZ1 LYS B 73 21.010 -6.824 20.197 1.00 0.91 H new ATOM 0 HZ2 LYS B 73 22.028 -7.585 19.070 1.00 0.91 H new ATOM 0 HZ3 LYS B 73 21.473 -6.007 18.782 1.00 0.91 H new ATOM 2268 N LYS B 74 18.455 -10.883 13.999 1.00 0.27 N ATOM 2269 CA LYS B 74 17.396 -11.908 14.270 1.00 0.24 C ATOM 2270 C LYS B 74 16.314 -11.314 15.180 1.00 0.24 C ATOM 2271 O LYS B 74 15.137 -11.414 14.896 1.00 0.25 O ATOM 2272 CB LYS B 74 18.066 -13.115 14.952 1.00 0.27 C ATOM 2273 CG LYS B 74 19.386 -13.476 14.267 1.00 0.29 C ATOM 2274 CD LYS B 74 19.209 -13.515 12.747 1.00 0.38 C ATOM 2275 CE LYS B 74 18.217 -14.619 12.379 1.00 0.35 C ATOM 2276 NZ LYS B 74 18.757 -15.224 11.129 1.00 0.30 N ATOM 0 H LYS B 74 18.454 -10.520 13.046 1.00 0.27 H new ATOM 0 HA LYS B 74 16.922 -12.221 13.340 1.00 0.24 H new ATOM 0 HB2 LYS B 74 18.249 -12.887 16.002 1.00 0.27 H new ATOM 0 HB3 LYS B 74 17.393 -13.972 14.924 1.00 0.27 H new ATOM 0 HG2 LYS B 74 20.151 -12.746 14.531 1.00 0.29 H new ATOM 0 HG3 LYS B 74 19.734 -14.446 14.623 1.00 0.29 H new ATOM 0 HD2 LYS B 74 18.848 -12.552 12.387 1.00 0.38 H new ATOM 0 HD3 LYS B 74 20.168 -13.697 12.263 1.00 0.38 H new ATOM 0 HE2 LYS B 74 18.139 -15.360 13.174 1.00 0.35 H new ATOM 0 HE3 LYS B 74 17.217 -14.214 12.221 1.00 0.35 H new ATOM 0 HZ1 LYS B 74 18.576 -16.248 11.133 1.00 0.30 H new ATOM 0 HZ2 LYS B 74 18.291 -14.793 10.305 1.00 0.30 H new ATOM 0 HZ3 LYS B 74 19.782 -15.054 11.076 1.00 0.30 H new ATOM 2290 N SER B 75 16.703 -10.684 16.262 1.00 0.26 N ATOM 2291 CA SER B 75 15.694 -10.079 17.180 1.00 0.27 C ATOM 2292 C SER B 75 14.888 -9.030 16.421 1.00 0.26 C ATOM 2293 O SER B 75 13.684 -8.935 16.561 1.00 0.29 O ATOM 2294 CB SER B 75 16.505 -9.430 18.302 1.00 0.32 C ATOM 2295 OG SER B 75 16.575 -10.322 19.406 1.00 0.67 O ATOM 0 H SER B 75 17.675 -10.564 16.547 1.00 0.26 H new ATOM 0 HA SER B 75 14.990 -10.813 17.573 1.00 0.27 H new ATOM 0 HB2 SER B 75 17.508 -9.190 17.949 1.00 0.32 H new ATOM 0 HB3 SER B 75 16.041 -8.492 18.606 1.00 0.32 H new ATOM 0 HG SER B 75 17.096 -9.910 20.127 1.00 0.67 H new ATOM 2301 N LYS B 76 15.553 -8.254 15.606 1.00 0.26 N ATOM 2302 CA LYS B 76 14.847 -7.211 14.812 1.00 0.25 C ATOM 2303 C LYS B 76 14.110 -7.865 13.641 1.00 0.23 C ATOM 2304 O LYS B 76 12.977 -7.536 13.352 1.00 0.29 O ATOM 2305 CB LYS B 76 15.951 -6.284 14.306 1.00 0.30 C ATOM 2306 CG LYS B 76 15.347 -4.929 13.932 1.00 0.31 C ATOM 2307 CD LYS B 76 14.844 -4.221 15.195 1.00 0.46 C ATOM 2308 CE LYS B 76 13.403 -3.746 14.978 1.00 0.55 C ATOM 2309 NZ LYS B 76 13.386 -2.335 15.456 1.00 0.57 N ATOM 0 H LYS B 76 16.561 -8.300 15.457 1.00 0.26 H new ATOM 0 HA LYS B 76 14.104 -6.669 15.397 1.00 0.25 H new ATOM 0 HB2 LYS B 76 16.713 -6.155 15.075 1.00 0.30 H new ATOM 0 HB3 LYS B 76 16.444 -6.726 13.440 1.00 0.30 H new ATOM 0 HG2 LYS B 76 16.094 -4.313 13.431 1.00 0.31 H new ATOM 0 HG3 LYS B 76 14.525 -5.068 13.230 1.00 0.31 H new ATOM 0 HD2 LYS B 76 14.890 -4.899 16.047 1.00 0.46 H new ATOM 0 HD3 LYS B 76 15.486 -3.372 15.429 1.00 0.46 H new ATOM 0 HE2 LYS B 76 13.120 -3.810 13.927 1.00 0.55 H new ATOM 0 HE3 LYS B 76 12.697 -4.360 15.536 1.00 0.55 H new ATOM 0 HZ1 LYS B 76 12.431 -1.940 15.339 1.00 0.57 H new ATOM 0 HZ2 LYS B 76 13.652 -2.306 16.461 1.00 0.57 H new ATOM 0 HZ3 LYS B 76 14.063 -1.773 14.902 1.00 0.57 H new ATOM 2323 N ALA B 77 14.748 -8.795 12.971 1.00 0.23 N ATOM 2324 CA ALA B 77 14.088 -9.482 11.819 1.00 0.23 C ATOM 2325 C ALA B 77 12.867 -10.260 12.308 1.00 0.22 C ATOM 2326 O ALA B 77 11.768 -10.075 11.821 1.00 0.25 O ATOM 2327 CB ALA B 77 15.138 -10.444 11.260 1.00 0.25 C ATOM 0 H ALA B 77 15.698 -9.107 13.173 1.00 0.23 H new ATOM 0 HA ALA B 77 13.745 -8.775 11.063 1.00 0.23 H new ATOM 0 HB1 ALA B 77 14.721 -10.983 10.410 1.00 0.25 H new ATOM 0 HB2 ALA B 77 16.013 -9.880 10.938 1.00 0.25 H new ATOM 0 HB3 ALA B 77 15.429 -11.155 12.033 1.00 0.25 H new ATOM 2333 N ILE B 78 13.057 -11.127 13.272 1.00 0.21 N ATOM 2334 CA ILE B 78 11.912 -11.922 13.806 1.00 0.22 C ATOM 2335 C ILE B 78 10.824 -10.975 14.319 1.00 0.24 C ATOM 2336 O ILE B 78 9.650 -11.181 14.074 1.00 0.27 O ATOM 2337 CB ILE B 78 12.502 -12.763 14.942 1.00 0.23 C ATOM 2338 CG1 ILE B 78 13.556 -13.718 14.367 1.00 0.23 C ATOM 2339 CG2 ILE B 78 11.392 -13.577 15.610 1.00 0.31 C ATOM 2340 CD1 ILE B 78 14.601 -14.049 15.436 1.00 0.25 C ATOM 0 H ILE B 78 13.957 -11.317 13.712 1.00 0.21 H new ATOM 0 HA ILE B 78 11.448 -12.555 13.050 1.00 0.22 H new ATOM 0 HB ILE B 78 12.962 -12.106 15.680 1.00 0.23 H new ATOM 0 HG12 ILE B 78 13.078 -14.633 14.018 1.00 0.23 H new ATOM 0 HG13 ILE B 78 14.039 -13.262 13.503 1.00 0.23 H new ATOM 0 HG21 ILE B 78 11.815 -14.174 16.418 1.00 0.31 H new ATOM 0 HG22 ILE B 78 10.638 -12.901 16.014 1.00 0.31 H new ATOM 0 HG23 ILE B 78 10.931 -14.236 14.874 1.00 0.31 H new ATOM 0 HD11 ILE B 78 15.345 -14.727 15.019 1.00 0.25 H new ATOM 0 HD12 ILE B 78 15.089 -13.131 15.764 1.00 0.25 H new ATOM 0 HD13 ILE B 78 14.113 -14.524 16.287 1.00 0.25 H new ATOM 2352 N ASN B 79 11.205 -9.923 15.004 1.00 0.23 N ATOM 2353 CA ASN B 79 10.187 -8.949 15.499 1.00 0.24 C ATOM 2354 C ASN B 79 9.487 -8.325 14.293 1.00 0.24 C ATOM 2355 O ASN B 79 8.287 -8.128 14.286 1.00 0.28 O ATOM 2356 CB ASN B 79 10.971 -7.888 16.273 1.00 0.26 C ATOM 2357 CG ASN B 79 11.156 -8.337 17.724 1.00 0.31 C ATOM 2358 OD1 ASN B 79 11.482 -9.575 17.979 1.00 0.42 O flip ATOM 2359 ND2 ASN B 79 11.001 -7.551 18.638 1.00 0.39 N flip ATOM 0 H ASN B 79 12.172 -9.699 15.240 1.00 0.23 H new ATOM 0 HA ASN B 79 9.430 -9.412 16.132 1.00 0.24 H new ATOM 0 HB2 ASN B 79 11.943 -7.727 15.806 1.00 0.26 H new ATOM 0 HB3 ASN B 79 10.441 -6.936 16.242 1.00 0.26 H new ATOM 0 HD21 ASN B 79 10.746 -6.583 18.441 1.00 0.39 H new ATOM 0 HD22 ASN B 79 11.126 -7.859 19.602 1.00 0.39 H new ATOM 2366 N VAL B 80 10.244 -8.034 13.264 1.00 0.25 N ATOM 2367 CA VAL B 80 9.652 -7.444 12.029 1.00 0.27 C ATOM 2368 C VAL B 80 8.697 -8.460 11.402 1.00 0.25 C ATOM 2369 O VAL B 80 7.563 -8.150 11.089 1.00 0.29 O ATOM 2370 CB VAL B 80 10.854 -7.163 11.111 1.00 0.31 C ATOM 2371 CG1 VAL B 80 10.558 -7.630 9.682 1.00 0.31 C ATOM 2372 CG2 VAL B 80 11.146 -5.661 11.102 1.00 0.44 C ATOM 0 H VAL B 80 11.253 -8.182 13.229 1.00 0.25 H new ATOM 0 HA VAL B 80 9.079 -6.536 12.214 1.00 0.27 H new ATOM 0 HB VAL B 80 11.719 -7.708 11.488 1.00 0.31 H new ATOM 0 HG11 VAL B 80 11.419 -7.424 9.046 1.00 0.31 H new ATOM 0 HG12 VAL B 80 10.357 -8.701 9.684 1.00 0.31 H new ATOM 0 HG13 VAL B 80 9.688 -7.098 9.298 1.00 0.31 H new ATOM 0 HG21 VAL B 80 11.998 -5.460 10.452 1.00 0.44 H new ATOM 0 HG22 VAL B 80 10.273 -5.123 10.733 1.00 0.44 H new ATOM 0 HG23 VAL B 80 11.376 -5.329 12.114 1.00 0.44 H new ATOM 2382 N LEU B 81 9.157 -9.675 11.225 1.00 0.24 N ATOM 2383 CA LEU B 81 8.288 -10.732 10.627 1.00 0.25 C ATOM 2384 C LEU B 81 7.011 -10.876 11.452 1.00 0.26 C ATOM 2385 O LEU B 81 5.942 -11.114 10.921 1.00 0.29 O ATOM 2386 CB LEU B 81 9.122 -12.011 10.678 1.00 0.25 C ATOM 2387 CG LEU B 81 9.591 -12.367 9.264 1.00 0.28 C ATOM 2388 CD1 LEU B 81 11.052 -11.950 9.088 1.00 0.44 C ATOM 2389 CD2 LEU B 81 9.462 -13.874 9.045 1.00 0.32 C ATOM 0 H LEU B 81 10.099 -9.979 11.470 1.00 0.24 H new ATOM 0 HA LEU B 81 7.983 -10.498 9.607 1.00 0.25 H new ATOM 0 HB2 LEU B 81 9.981 -11.872 11.334 1.00 0.25 H new ATOM 0 HB3 LEU B 81 8.532 -12.827 11.094 1.00 0.25 H new ATOM 0 HG LEU B 81 8.973 -11.841 8.536 1.00 0.28 H new ATOM 0 HD11 LEU B 81 11.384 -12.204 8.081 1.00 0.44 H new ATOM 0 HD12 LEU B 81 11.144 -10.875 9.240 1.00 0.44 H new ATOM 0 HD13 LEU B 81 11.670 -12.474 9.817 1.00 0.44 H new ATOM 0 HD21 LEU B 81 9.796 -14.125 8.038 1.00 0.32 H new ATOM 0 HD22 LEU B 81 10.077 -14.402 9.774 1.00 0.32 H new ATOM 0 HD23 LEU B 81 8.420 -14.171 9.166 1.00 0.32 H new ATOM 2401 N ARG B 82 7.113 -10.709 12.745 1.00 0.26 N ATOM 2402 CA ARG B 82 5.901 -10.807 13.603 1.00 0.28 C ATOM 2403 C ARG B 82 4.973 -9.638 13.270 1.00 0.27 C ATOM 2404 O ARG B 82 3.763 -9.773 13.252 1.00 0.31 O ATOM 2405 CB ARG B 82 6.412 -10.703 15.041 1.00 0.30 C ATOM 2406 CG ARG B 82 5.279 -11.041 16.016 1.00 0.34 C ATOM 2407 CD ARG B 82 5.594 -12.355 16.737 1.00 0.35 C ATOM 2408 NE ARG B 82 5.994 -11.952 18.114 1.00 0.35 N ATOM 2409 CZ ARG B 82 7.159 -11.402 18.319 1.00 0.36 C ATOM 2410 NH1 ARG B 82 8.204 -12.152 18.544 1.00 0.40 N ATOM 2411 NH2 ARG B 82 7.281 -10.103 18.300 1.00 0.43 N ATOM 0 H ARG B 82 7.982 -10.510 13.240 1.00 0.26 H new ATOM 0 HA ARG B 82 5.344 -11.732 13.453 1.00 0.28 H new ATOM 0 HB2 ARG B 82 7.249 -11.385 15.190 1.00 0.30 H new ATOM 0 HB3 ARG B 82 6.783 -9.696 15.234 1.00 0.30 H new ATOM 0 HG2 ARG B 82 5.158 -10.237 16.742 1.00 0.34 H new ATOM 0 HG3 ARG B 82 4.336 -11.128 15.477 1.00 0.34 H new ATOM 0 HD2 ARG B 82 4.726 -13.013 16.755 1.00 0.35 H new ATOM 0 HD3 ARG B 82 6.395 -12.898 16.236 1.00 0.35 H new ATOM 0 HE ARG B 82 5.358 -12.106 18.896 1.00 0.35 H new ATOM 0 HH11 ARG B 82 8.109 -13.167 18.559 1.00 0.40 H new ATOM 0 HH12 ARG B 82 9.115 -11.722 18.704 1.00 0.40 H new ATOM 0 HH21 ARG B 82 6.465 -9.517 18.125 1.00 0.43 H new ATOM 0 HH22 ARG B 82 8.192 -9.674 18.460 1.00 0.43 H new ATOM 2425 N GLY B 83 5.547 -8.494 12.986 1.00 0.28 N ATOM 2426 CA GLY B 83 4.725 -7.303 12.628 1.00 0.30 C ATOM 2427 C GLY B 83 4.062 -7.553 11.275 1.00 0.29 C ATOM 2428 O GLY B 83 2.942 -7.144 11.038 1.00 0.30 O ATOM 0 H GLY B 83 6.555 -8.337 12.988 1.00 0.28 H new ATOM 0 HA2 GLY B 83 3.968 -7.123 13.392 1.00 0.30 H new ATOM 0 HA3 GLY B 83 5.351 -6.412 12.583 1.00 0.30 H new ATOM 2432 N PHE B 84 4.744 -8.242 10.391 1.00 0.29 N ATOM 2433 CA PHE B 84 4.153 -8.544 9.056 1.00 0.29 C ATOM 2434 C PHE B 84 2.931 -9.439 9.251 1.00 0.29 C ATOM 2435 O PHE B 84 1.919 -9.280 8.594 1.00 0.31 O ATOM 2436 CB PHE B 84 5.249 -9.285 8.284 1.00 0.31 C ATOM 2437 CG PHE B 84 6.164 -8.297 7.613 1.00 0.29 C ATOM 2438 CD1 PHE B 84 5.639 -7.310 6.773 1.00 0.39 C ATOM 2439 CD2 PHE B 84 7.544 -8.376 7.825 1.00 0.28 C ATOM 2440 CE1 PHE B 84 6.498 -6.402 6.147 1.00 0.43 C ATOM 2441 CE2 PHE B 84 8.399 -7.471 7.198 1.00 0.30 C ATOM 2442 CZ PHE B 84 7.877 -6.485 6.361 1.00 0.37 C ATOM 0 H PHE B 84 5.685 -8.607 10.540 1.00 0.29 H new ATOM 0 HA PHE B 84 3.832 -7.650 8.521 1.00 0.29 H new ATOM 0 HB2 PHE B 84 5.820 -9.918 8.964 1.00 0.31 H new ATOM 0 HB3 PHE B 84 4.800 -9.941 7.539 1.00 0.31 H new ATOM 0 HD1 PHE B 84 4.573 -7.249 6.608 1.00 0.39 H new ATOM 0 HD2 PHE B 84 7.948 -9.138 8.475 1.00 0.28 H new ATOM 0 HE1 PHE B 84 6.097 -5.637 5.499 1.00 0.43 H new ATOM 0 HE2 PHE B 84 9.465 -7.533 7.360 1.00 0.30 H new ATOM 0 HZ PHE B 84 8.540 -5.783 5.877 1.00 0.37 H new ATOM 2452 N ARG B 85 3.019 -10.369 10.170 1.00 0.30 N ATOM 2453 CA ARG B 85 1.864 -11.273 10.443 1.00 0.31 C ATOM 2454 C ARG B 85 0.718 -10.455 11.036 1.00 0.29 C ATOM 2455 O ARG B 85 -0.442 -10.706 10.769 1.00 0.31 O ATOM 2456 CB ARG B 85 2.382 -12.294 11.458 1.00 0.36 C ATOM 2457 CG ARG B 85 1.279 -13.308 11.771 1.00 0.45 C ATOM 2458 CD ARG B 85 1.327 -13.675 13.257 1.00 0.45 C ATOM 2459 NE ARG B 85 2.295 -14.804 13.345 1.00 0.43 N ATOM 2460 CZ ARG B 85 2.754 -15.180 14.508 1.00 0.42 C ATOM 2461 NH1 ARG B 85 3.495 -14.368 15.211 1.00 0.43 N ATOM 2462 NH2 ARG B 85 2.472 -16.368 14.967 1.00 0.52 N ATOM 0 H ARG B 85 3.845 -10.540 10.744 1.00 0.30 H new ATOM 0 HA ARG B 85 1.489 -11.763 9.545 1.00 0.31 H new ATOM 0 HB2 ARG B 85 3.259 -12.805 11.060 1.00 0.36 H new ATOM 0 HB3 ARG B 85 2.695 -11.788 12.371 1.00 0.36 H new ATOM 0 HG2 ARG B 85 0.304 -12.889 11.520 1.00 0.45 H new ATOM 0 HG3 ARG B 85 1.409 -14.202 11.161 1.00 0.45 H new ATOM 0 HD2 ARG B 85 1.652 -12.829 13.862 1.00 0.45 H new ATOM 0 HD3 ARG B 85 0.343 -13.969 13.623 1.00 0.45 H new ATOM 0 HE ARG B 85 2.599 -15.283 12.497 1.00 0.43 H new ATOM 0 HH11 ARG B 85 3.716 -13.439 14.852 1.00 0.43 H new ATOM 0 HH12 ARG B 85 3.853 -14.662 16.120 1.00 0.43 H new ATOM 0 HH21 ARG B 85 1.893 -17.003 14.417 1.00 0.52 H new ATOM 0 HH22 ARG B 85 2.830 -16.662 15.876 1.00 0.52 H new ATOM 2476 N LYS B 86 1.039 -9.467 11.832 1.00 0.31 N ATOM 2477 CA LYS B 86 -0.028 -8.616 12.431 1.00 0.32 C ATOM 2478 C LYS B 86 -0.542 -7.636 11.377 1.00 0.29 C ATOM 2479 O LYS B 86 -1.701 -7.265 11.373 1.00 0.34 O ATOM 2480 CB LYS B 86 0.644 -7.873 13.587 1.00 0.35 C ATOM 2481 CG LYS B 86 -0.370 -7.658 14.713 1.00 0.45 C ATOM 2482 CD LYS B 86 -0.782 -9.011 15.303 1.00 0.51 C ATOM 2483 CE LYS B 86 -2.164 -9.408 14.772 1.00 0.46 C ATOM 2484 NZ LYS B 86 -2.919 -9.873 15.968 1.00 0.71 N ATOM 0 H LYS B 86 1.993 -9.215 12.091 1.00 0.31 H new ATOM 0 HA LYS B 86 -0.882 -9.196 12.781 1.00 0.32 H new ATOM 0 HB2 LYS B 86 1.496 -8.445 13.955 1.00 0.35 H new ATOM 0 HB3 LYS B 86 1.029 -6.914 13.242 1.00 0.35 H new ATOM 0 HG2 LYS B 86 0.063 -7.028 15.490 1.00 0.45 H new ATOM 0 HG3 LYS B 86 -1.247 -7.135 14.331 1.00 0.45 H new ATOM 0 HD2 LYS B 86 -0.048 -9.772 15.039 1.00 0.51 H new ATOM 0 HD3 LYS B 86 -0.803 -8.953 16.391 1.00 0.51 H new ATOM 0 HE2 LYS B 86 -2.661 -8.563 14.296 1.00 0.46 H new ATOM 0 HE3 LYS B 86 -2.087 -10.196 14.023 1.00 0.46 H new ATOM 0 HZ1 LYS B 86 -3.877 -10.162 15.683 1.00 0.71 H new ATOM 0 HZ2 LYS B 86 -2.426 -10.682 16.397 1.00 0.71 H new ATOM 0 HZ3 LYS B 86 -2.982 -9.100 16.661 1.00 0.71 H new ATOM 2498 N GLU B 87 0.314 -7.232 10.472 1.00 0.27 N ATOM 2499 CA GLU B 87 -0.114 -6.292 9.396 1.00 0.26 C ATOM 2500 C GLU B 87 -1.033 -7.029 8.421 1.00 0.25 C ATOM 2501 O GLU B 87 -2.003 -6.480 7.932 1.00 0.28 O ATOM 2502 CB GLU B 87 1.178 -5.862 8.699 1.00 0.30 C ATOM 2503 CG GLU B 87 1.768 -4.649 9.420 1.00 0.29 C ATOM 2504 CD GLU B 87 2.808 -3.977 8.522 1.00 0.30 C ATOM 2505 OE1 GLU B 87 3.700 -4.670 8.060 1.00 0.42 O ATOM 2506 OE2 GLU B 87 2.696 -2.781 8.311 1.00 0.45 O ATOM 0 H GLU B 87 1.293 -7.515 10.434 1.00 0.27 H new ATOM 0 HA GLU B 87 -0.663 -5.432 9.781 1.00 0.26 H new ATOM 0 HB2 GLU B 87 1.895 -6.683 8.700 1.00 0.30 H new ATOM 0 HB3 GLU B 87 0.977 -5.616 7.656 1.00 0.30 H new ATOM 0 HG2 GLU B 87 0.977 -3.942 9.671 1.00 0.29 H new ATOM 0 HG3 GLU B 87 2.228 -4.959 10.358 1.00 0.29 H new ATOM 2513 N ILE B 88 -0.737 -8.276 8.148 1.00 0.26 N ATOM 2514 CA ILE B 88 -1.594 -9.067 7.219 1.00 0.26 C ATOM 2515 C ILE B 88 -2.948 -9.333 7.891 1.00 0.24 C ATOM 2516 O ILE B 88 -3.992 -9.235 7.270 1.00 0.26 O ATOM 2517 CB ILE B 88 -0.803 -10.362 6.947 1.00 0.29 C ATOM 2518 CG1 ILE B 88 -0.926 -10.726 5.465 1.00 0.36 C ATOM 2519 CG2 ILE B 88 -1.332 -11.524 7.795 1.00 0.31 C ATOM 2520 CD1 ILE B 88 0.252 -10.128 4.693 1.00 0.34 C ATOM 0 H ILE B 88 0.064 -8.779 8.531 1.00 0.26 H new ATOM 0 HA ILE B 88 -1.812 -8.555 6.282 1.00 0.26 H new ATOM 0 HB ILE B 88 0.240 -10.189 7.212 1.00 0.29 H new ATOM 0 HG12 ILE B 88 -0.940 -11.809 5.346 1.00 0.36 H new ATOM 0 HG13 ILE B 88 -1.867 -10.349 5.064 1.00 0.36 H new ATOM 0 HG21 ILE B 88 -0.754 -12.423 7.581 1.00 0.31 H new ATOM 0 HG22 ILE B 88 -1.238 -11.275 8.852 1.00 0.31 H new ATOM 0 HG23 ILE B 88 -2.381 -11.701 7.556 1.00 0.31 H new ATOM 0 HD11 ILE B 88 0.165 -10.387 3.638 1.00 0.34 H new ATOM 0 HD12 ILE B 88 0.246 -9.043 4.802 1.00 0.34 H new ATOM 0 HD13 ILE B 88 1.186 -10.527 5.088 1.00 0.34 H new ATOM 2532 N GLY B 89 -2.935 -9.639 9.168 1.00 0.26 N ATOM 2533 CA GLY B 89 -4.216 -9.880 9.894 1.00 0.26 C ATOM 2534 C GLY B 89 -5.005 -8.575 9.897 1.00 0.24 C ATOM 2535 O GLY B 89 -6.218 -8.560 9.779 1.00 0.26 O ATOM 0 H GLY B 89 -2.092 -9.731 9.735 1.00 0.26 H new ATOM 0 HA2 GLY B 89 -4.788 -10.670 9.407 1.00 0.26 H new ATOM 0 HA3 GLY B 89 -4.020 -10.210 10.914 1.00 0.26 H new ATOM 2539 N ARG B 90 -4.310 -7.473 10.007 1.00 0.25 N ATOM 2540 CA ARG B 90 -4.991 -6.152 9.991 1.00 0.25 C ATOM 2541 C ARG B 90 -5.557 -5.901 8.596 1.00 0.23 C ATOM 2542 O ARG B 90 -6.628 -5.342 8.443 1.00 0.26 O ATOM 2543 CB ARG B 90 -3.897 -5.133 10.309 1.00 0.28 C ATOM 2544 CG ARG B 90 -3.826 -4.904 11.818 1.00 0.37 C ATOM 2545 CD ARG B 90 -2.685 -3.933 12.124 1.00 0.44 C ATOM 2546 NE ARG B 90 -2.908 -3.507 13.534 1.00 0.49 N ATOM 2547 CZ ARG B 90 -1.910 -3.063 14.247 1.00 0.62 C ATOM 2548 NH1 ARG B 90 -1.571 -1.804 14.185 1.00 0.75 N ATOM 2549 NH2 ARG B 90 -1.249 -3.879 15.023 1.00 0.81 N ATOM 0 H ARG B 90 -3.296 -7.435 10.108 1.00 0.25 H new ATOM 0 HA ARG B 90 -5.814 -6.093 10.703 1.00 0.25 H new ATOM 0 HB2 ARG B 90 -2.936 -5.491 9.941 1.00 0.28 H new ATOM 0 HB3 ARG B 90 -4.104 -4.192 9.798 1.00 0.28 H new ATOM 0 HG2 ARG B 90 -4.771 -4.500 12.182 1.00 0.37 H new ATOM 0 HG3 ARG B 90 -3.663 -5.850 12.335 1.00 0.37 H new ATOM 0 HD2 ARG B 90 -1.714 -4.415 12.006 1.00 0.44 H new ATOM 0 HD3 ARG B 90 -2.701 -3.079 11.447 1.00 0.44 H new ATOM 0 HE ARG B 90 -3.841 -3.563 13.942 1.00 0.49 H new ATOM 0 HH11 ARG B 90 -2.087 -1.166 13.579 1.00 0.75 H new ATOM 0 HH12 ARG B 90 -0.790 -1.458 14.743 1.00 0.75 H new ATOM 0 HH21 ARG B 90 -1.513 -4.863 15.071 1.00 0.81 H new ATOM 0 HH22 ARG B 90 -0.468 -3.532 15.581 1.00 0.81 H new ATOM 2563 N MET B 91 -4.847 -6.340 7.578 1.00 0.23 N ATOM 2564 CA MET B 91 -5.335 -6.153 6.183 1.00 0.25 C ATOM 2565 C MET B 91 -6.687 -6.835 6.056 1.00 0.23 C ATOM 2566 O MET B 91 -7.602 -6.324 5.439 1.00 0.29 O ATOM 2567 CB MET B 91 -4.289 -6.825 5.289 1.00 0.29 C ATOM 2568 CG MET B 91 -3.991 -5.927 4.088 1.00 0.48 C ATOM 2569 SD MET B 91 -2.678 -6.671 3.089 1.00 0.59 S ATOM 2570 CE MET B 91 -1.296 -6.249 4.178 1.00 0.62 C ATOM 0 H MET B 91 -3.950 -6.819 7.661 1.00 0.23 H new ATOM 0 HA MET B 91 -5.460 -5.106 5.905 1.00 0.25 H new ATOM 0 HB2 MET B 91 -3.376 -7.008 5.855 1.00 0.29 H new ATOM 0 HB3 MET B 91 -4.654 -7.794 4.950 1.00 0.29 H new ATOM 0 HG2 MET B 91 -4.890 -5.796 3.486 1.00 0.48 H new ATOM 0 HG3 MET B 91 -3.687 -4.937 4.427 1.00 0.48 H new ATOM 0 HE1 MET B 91 -0.795 -5.357 3.801 1.00 0.62 H new ATOM 0 HE2 MET B 91 -1.671 -6.057 5.183 1.00 0.62 H new ATOM 0 HE3 MET B 91 -0.589 -7.078 4.206 1.00 0.62 H new ATOM 2580 N LEU B 92 -6.822 -7.977 6.677 1.00 0.22 N ATOM 2581 CA LEU B 92 -8.123 -8.695 6.644 1.00 0.23 C ATOM 2582 C LEU B 92 -9.160 -7.839 7.340 1.00 0.24 C ATOM 2583 O LEU B 92 -10.260 -7.671 6.852 1.00 0.29 O ATOM 2584 CB LEU B 92 -7.873 -9.995 7.382 1.00 0.25 C ATOM 2585 CG LEU B 92 -6.868 -10.791 6.566 1.00 0.28 C ATOM 2586 CD1 LEU B 92 -6.015 -11.662 7.492 1.00 0.34 C ATOM 2587 CD2 LEU B 92 -7.613 -11.675 5.560 1.00 0.36 C ATOM 0 H LEU B 92 -6.084 -8.442 7.206 1.00 0.22 H new ATOM 0 HA LEU B 92 -8.492 -8.893 5.638 1.00 0.23 H new ATOM 0 HB2 LEU B 92 -7.488 -9.801 8.383 1.00 0.25 H new ATOM 0 HB3 LEU B 92 -8.801 -10.554 7.501 1.00 0.25 H new ATOM 0 HG LEU B 92 -6.215 -10.103 6.029 1.00 0.28 H new ATOM 0 HD11 LEU B 92 -5.297 -12.229 6.899 1.00 0.34 H new ATOM 0 HD12 LEU B 92 -5.481 -11.027 8.199 1.00 0.34 H new ATOM 0 HD13 LEU B 92 -6.659 -12.351 8.039 1.00 0.34 H new ATOM 0 HD21 LEU B 92 -6.893 -12.246 4.974 1.00 0.36 H new ATOM 0 HD22 LEU B 92 -8.271 -12.360 6.095 1.00 0.36 H new ATOM 0 HD23 LEU B 92 -8.206 -11.048 4.894 1.00 0.36 H new ATOM 2599 N ASN B 93 -8.795 -7.251 8.454 1.00 0.24 N ATOM 2600 CA ASN B 93 -9.745 -6.345 9.157 1.00 0.28 C ATOM 2601 C ASN B 93 -10.210 -5.286 8.154 1.00 0.29 C ATOM 2602 O ASN B 93 -11.295 -4.744 8.258 1.00 0.37 O ATOM 2603 CB ASN B 93 -8.943 -5.707 10.296 1.00 0.32 C ATOM 2604 CG ASN B 93 -9.557 -6.105 11.640 1.00 0.35 C ATOM 2605 OD1 ASN B 93 -10.455 -5.449 12.130 1.00 0.40 O ATOM 2606 ND2 ASN B 93 -9.107 -7.160 12.262 1.00 0.51 N ATOM 0 H ASN B 93 -7.885 -7.361 8.901 1.00 0.24 H new ATOM 0 HA ASN B 93 -10.623 -6.857 9.550 1.00 0.28 H new ATOM 0 HB2 ASN B 93 -7.904 -6.032 10.249 1.00 0.32 H new ATOM 0 HB3 ASN B 93 -8.943 -4.622 10.191 1.00 0.32 H new ATOM 0 HD21 ASN B 93 -9.509 -7.434 13.159 1.00 0.51 H new ATOM 0 HD22 ASN B 93 -8.353 -7.711 11.852 1.00 0.51 H new ATOM 2613 N ILE B 94 -9.389 -5.016 7.160 1.00 0.26 N ATOM 2614 CA ILE B 94 -9.773 -4.021 6.115 1.00 0.30 C ATOM 2615 C ILE B 94 -10.641 -4.694 5.046 1.00 0.31 C ATOM 2616 O ILE B 94 -11.603 -4.111 4.581 1.00 0.35 O ATOM 2617 CB ILE B 94 -8.471 -3.507 5.473 1.00 0.32 C ATOM 2618 CG1 ILE B 94 -7.351 -3.424 6.519 1.00 0.34 C ATOM 2619 CG2 ILE B 94 -8.722 -2.116 4.880 1.00 0.37 C ATOM 2620 CD1 ILE B 94 -6.180 -2.592 5.983 1.00 0.45 C ATOM 0 H ILE B 94 -8.472 -5.444 7.033 1.00 0.26 H new ATOM 0 HA ILE B 94 -10.342 -3.202 6.555 1.00 0.30 H new ATOM 0 HB ILE B 94 -8.163 -4.199 4.689 1.00 0.32 H new ATOM 0 HG12 ILE B 94 -7.734 -2.976 7.436 1.00 0.34 H new ATOM 0 HG13 ILE B 94 -7.007 -4.427 6.773 1.00 0.34 H new ATOM 0 HG21 ILE B 94 -7.805 -1.744 4.423 1.00 0.37 H new ATOM 0 HG22 ILE B 94 -9.505 -2.179 4.124 1.00 0.37 H new ATOM 0 HG23 ILE B 94 -9.035 -1.434 5.671 1.00 0.37 H new ATOM 0 HD11 ILE B 94 -5.394 -2.543 6.736 1.00 0.45 H new ATOM 0 HD12 ILE B 94 -5.787 -3.057 5.079 1.00 0.45 H new ATOM 0 HD13 ILE B 94 -6.525 -1.584 5.752 1.00 0.45 H new ATOM 2632 N LEU B 95 -10.314 -5.905 4.630 1.00 0.30 N ATOM 2633 CA LEU B 95 -11.154 -6.554 3.569 1.00 0.33 C ATOM 2634 C LEU B 95 -12.265 -7.411 4.190 1.00 0.34 C ATOM 2635 O LEU B 95 -12.900 -8.199 3.515 1.00 0.43 O ATOM 2636 CB LEU B 95 -10.201 -7.407 2.724 1.00 0.35 C ATOM 2637 CG LEU B 95 -9.477 -8.422 3.603 1.00 0.33 C ATOM 2638 CD1 LEU B 95 -10.004 -9.827 3.307 1.00 0.45 C ATOM 2639 CD2 LEU B 95 -7.977 -8.366 3.301 1.00 0.38 C ATOM 0 H LEU B 95 -9.525 -6.455 4.970 1.00 0.30 H new ATOM 0 HA LEU B 95 -11.655 -5.806 2.955 1.00 0.33 H new ATOM 0 HB2 LEU B 95 -10.760 -7.924 1.944 1.00 0.35 H new ATOM 0 HB3 LEU B 95 -9.475 -6.766 2.224 1.00 0.35 H new ATOM 0 HG LEU B 95 -9.651 -8.187 4.653 1.00 0.33 H new ATOM 0 HD11 LEU B 95 -9.485 -10.550 3.936 1.00 0.45 H new ATOM 0 HD12 LEU B 95 -11.073 -9.866 3.515 1.00 0.45 H new ATOM 0 HD13 LEU B 95 -9.830 -10.068 2.258 1.00 0.45 H new ATOM 0 HD21 LEU B 95 -7.453 -9.089 3.926 1.00 0.38 H new ATOM 0 HD22 LEU B 95 -7.808 -8.604 2.251 1.00 0.38 H new ATOM 0 HD23 LEU B 95 -7.601 -7.365 3.511 1.00 0.38 H new ATOM 2651 N ASN B 96 -12.517 -7.244 5.466 1.00 0.31 N ATOM 2652 CA ASN B 96 -13.604 -8.025 6.136 1.00 0.34 C ATOM 2653 C ASN B 96 -14.755 -7.088 6.516 1.00 0.37 C ATOM 2654 O ASN B 96 -15.858 -7.520 6.790 1.00 0.47 O ATOM 2655 CB ASN B 96 -12.967 -8.604 7.398 1.00 0.36 C ATOM 2656 CG ASN B 96 -12.271 -9.927 7.069 1.00 0.44 C ATOM 2657 OD1 ASN B 96 -11.395 -9.972 6.103 1.00 0.68 O flip ATOM 2658 ND2 ASN B 96 -12.528 -10.933 7.700 1.00 0.56 N flip ATOM 0 H ASN B 96 -12.014 -6.598 6.074 1.00 0.31 H new ATOM 0 HA ASN B 96 -14.009 -8.804 5.489 1.00 0.34 H new ATOM 0 HB2 ASN B 96 -12.247 -7.897 7.810 1.00 0.36 H new ATOM 0 HB3 ASN B 96 -13.729 -8.764 8.161 1.00 0.36 H new ATOM 0 HD21 ASN B 96 -13.212 -10.900 8.456 1.00 0.56 H new ATOM 0 HD22 ASN B 96 -12.059 -11.810 7.474 1.00 0.56 H new