USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 ASN : amide:sc= -3.13 K(o=-2.1,f=-5.6!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 169:sc= 1.08 (180deg=0.993) USER MOD Single : A 25 THR OG1 : rot -2:sc= 1.13 USER MOD Single : A 30 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.8) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 35 SER OG : rot -158:sc= 0.607 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -152:sc= 0 (180deg=-0.268) USER MOD Single : A 39 SER OG : rot 107:sc= 1.35 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0764 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.739 K(o=0.74,f=-2.9!) USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= 0.737 (180deg=0.381) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 63 THR OG1 : rot -76:sc= 1.29 USER MOD Single : A 64 GLN : amide:sc= 0.821 K(o=0.82,f=-0.055) USER MOD Single : A 66 ASN : amide:sc= 2.29 K(o=2.3,f=-0.27) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -62:sc= 1.27 USER MOD Single : A 81 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.9) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.013) USER MOD Single : A 90 HIS : no HE2:sc= 0.862 K(o=0.86,f=-2.9!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.98! K(o=-2!,f=-0.028) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 280 N ASP A 24 -3.914 10.779 5.481 1.00 2.11 N ATOM 281 CA ASP A 24 -3.568 9.414 5.877 1.00 75.31 C ATOM 282 C ASP A 24 -2.918 8.728 4.678 1.00 12.11 C ATOM 283 O ASP A 24 -3.510 8.675 3.609 1.00 63.14 O ATOM 284 CB ASP A 24 -4.802 8.648 6.384 1.00 54.30 C ATOM 285 CG ASP A 24 -6.118 9.027 5.689 1.00 60.41 C ATOM 286 OD1 ASP A 24 -6.418 8.558 4.570 1.00 75.32 O ATOM 287 OD2 ASP A 24 -6.845 9.879 6.254 1.00 74.23 O ATOM 0 HA ASP A 24 -2.865 9.430 6.710 1.00 75.31 H new ATOM 0 HB2 ASP A 24 -4.630 7.580 6.251 1.00 54.30 H new ATOM 0 HB3 ASP A 24 -4.908 8.823 7.455 1.00 54.30 H new ATOM 291 N THR A 25 -1.683 8.241 4.808 1.00 52.21 N ATOM 292 CA THR A 25 -1.021 7.340 3.856 1.00 31.54 C ATOM 293 C THR A 25 0.112 6.636 4.621 1.00 13.45 C ATOM 294 O THR A 25 0.788 7.280 5.425 1.00 31.14 O ATOM 295 CB THR A 25 -0.453 8.144 2.665 1.00 20.41 C ATOM 296 OG1 THR A 25 -1.461 8.761 1.892 1.00 0.32 O ATOM 297 CG2 THR A 25 0.341 7.274 1.692 1.00 33.24 C ATOM 0 H THR A 25 -1.093 8.470 5.608 1.00 52.21 H new ATOM 0 HA THR A 25 -1.725 6.612 3.452 1.00 31.54 H new ATOM 0 HB THR A 25 0.188 8.889 3.137 1.00 20.41 H new ATOM 0 HG1 THR A 25 -2.341 8.522 2.251 1.00 0.32 H new ATOM 0 HG21 THR A 25 0.716 7.891 0.875 1.00 33.24 H new ATOM 0 HG22 THR A 25 1.180 6.815 2.215 1.00 33.24 H new ATOM 0 HG23 THR A 25 -0.306 6.494 1.290 1.00 33.24 H new ATOM 305 N ILE A 26 0.348 5.344 4.378 1.00 13.13 N ATOM 306 CA ILE A 26 1.466 4.598 4.958 1.00 73.11 C ATOM 307 C ILE A 26 2.596 4.495 3.927 1.00 14.52 C ATOM 308 O ILE A 26 2.381 4.645 2.725 1.00 13.11 O ATOM 309 CB ILE A 26 0.921 3.241 5.455 1.00 61.01 C ATOM 310 CG1 ILE A 26 0.112 3.482 6.746 1.00 21.02 C ATOM 311 CG2 ILE A 26 1.978 2.153 5.726 1.00 62.41 C ATOM 312 CD1 ILE A 26 -1.041 2.486 6.853 1.00 21.45 C ATOM 0 H ILE A 26 -0.240 4.780 3.765 1.00 13.13 H new ATOM 0 HA ILE A 26 1.904 5.101 5.820 1.00 73.11 H new ATOM 0 HB ILE A 26 0.313 2.852 4.638 1.00 61.01 H new ATOM 0 HG12 ILE A 26 0.765 3.385 7.614 1.00 21.02 H new ATOM 0 HG13 ILE A 26 -0.278 4.500 6.752 1.00 21.02 H new ATOM 0 HG21 ILE A 26 1.485 1.244 6.070 1.00 62.41 H new ATOM 0 HG22 ILE A 26 2.527 1.943 4.808 1.00 62.41 H new ATOM 0 HG23 ILE A 26 2.671 2.502 6.492 1.00 62.41 H new ATOM 0 HD11 ILE A 26 -1.599 2.673 7.770 1.00 21.45 H new ATOM 0 HD12 ILE A 26 -1.703 2.603 5.995 1.00 21.45 H new ATOM 0 HD13 ILE A 26 -0.644 1.471 6.870 1.00 21.45 H new ATOM 323 N ILE A 27 3.806 4.225 4.405 1.00 70.30 N ATOM 324 CA ILE A 27 5.027 4.047 3.633 1.00 61.43 C ATOM 325 C ILE A 27 5.733 2.842 4.275 1.00 51.44 C ATOM 326 O ILE A 27 5.729 2.716 5.501 1.00 21.15 O ATOM 327 CB ILE A 27 5.835 5.377 3.626 1.00 23.22 C ATOM 328 CG1 ILE A 27 6.994 5.447 2.603 1.00 70.24 C ATOM 329 CG2 ILE A 27 6.412 5.747 5.000 1.00 43.40 C ATOM 330 CD1 ILE A 27 6.562 6.142 1.311 1.00 52.54 C ATOM 0 H ILE A 27 3.969 4.118 5.406 1.00 70.30 H new ATOM 0 HA ILE A 27 4.871 3.831 2.576 1.00 61.43 H new ATOM 0 HB ILE A 27 5.071 6.094 3.325 1.00 23.22 H new ATOM 0 HG12 ILE A 27 7.836 5.983 3.042 1.00 70.24 H new ATOM 0 HG13 ILE A 27 7.342 4.439 2.376 1.00 70.24 H new ATOM 0 HG21 ILE A 27 6.963 6.684 4.923 1.00 43.40 H new ATOM 0 HG22 ILE A 27 5.599 5.862 5.717 1.00 43.40 H new ATOM 0 HG23 ILE A 27 7.084 4.958 5.337 1.00 43.40 H new ATOM 0 HD11 ILE A 27 7.401 6.173 0.616 1.00 52.54 H new ATOM 0 HD12 ILE A 27 5.737 5.591 0.859 1.00 52.54 H new ATOM 0 HD13 ILE A 27 6.239 7.159 1.535 1.00 52.54 H new ATOM 341 N LEU A 28 6.269 1.929 3.468 1.00 33.34 N ATOM 342 CA LEU A 28 7.108 0.829 3.937 1.00 62.01 C ATOM 343 C LEU A 28 8.547 1.288 3.760 1.00 13.15 C ATOM 344 O LEU A 28 8.860 1.931 2.755 1.00 25.23 O ATOM 345 CB LEU A 28 6.912 -0.458 3.111 1.00 44.53 C ATOM 346 CG LEU A 28 5.549 -1.170 3.158 1.00 34.25 C ATOM 347 CD1 LEU A 28 5.067 -1.430 4.590 1.00 1.13 C ATOM 348 CD2 LEU A 28 4.471 -0.422 2.368 1.00 23.22 C ATOM 0 H LEU A 28 6.131 1.933 2.457 1.00 33.34 H new ATOM 0 HA LEU A 28 6.848 0.595 4.970 1.00 62.01 H new ATOM 0 HB2 LEU A 28 7.122 -0.216 2.069 1.00 44.53 H new ATOM 0 HB3 LEU A 28 7.669 -1.174 3.431 1.00 44.53 H new ATOM 0 HG LEU A 28 5.712 -2.135 2.679 1.00 34.25 H new ATOM 0 HD11 LEU A 28 4.101 -1.934 4.563 1.00 1.13 H new ATOM 0 HD12 LEU A 28 5.790 -2.059 5.109 1.00 1.13 H new ATOM 0 HD13 LEU A 28 4.967 -0.482 5.118 1.00 1.13 H new ATOM 0 HD21 LEU A 28 3.529 -0.966 2.433 1.00 23.22 H new ATOM 0 HD22 LEU A 28 4.343 0.577 2.784 1.00 23.22 H new ATOM 0 HD23 LEU A 28 4.773 -0.344 1.324 1.00 23.22 H new ATOM 359 N ARG A 29 9.432 0.910 4.680 1.00 14.13 N ATOM 360 CA ARG A 29 10.843 1.292 4.652 1.00 11.31 C ATOM 361 C ARG A 29 11.699 0.029 4.645 1.00 64.30 C ATOM 362 O ARG A 29 11.220 -1.032 5.044 1.00 41.52 O ATOM 363 CB ARG A 29 11.179 2.141 5.896 1.00 72.33 C ATOM 364 CG ARG A 29 10.314 3.395 6.106 1.00 51.44 C ATOM 365 CD ARG A 29 10.736 4.135 7.392 1.00 13.52 C ATOM 366 NE ARG A 29 10.497 3.339 8.618 1.00 51.51 N ATOM 367 CZ ARG A 29 11.118 3.450 9.801 1.00 43.42 C ATOM 368 NH1 ARG A 29 11.910 4.479 10.073 1.00 42.43 N ATOM 369 NH2 ARG A 29 10.949 2.501 10.712 1.00 11.45 N ATOM 0 H ARG A 29 9.186 0.322 5.477 1.00 14.13 H new ATOM 0 HA ARG A 29 11.046 1.880 3.757 1.00 11.31 H new ATOM 0 HB2 ARG A 29 11.088 1.509 6.779 1.00 72.33 H new ATOM 0 HB3 ARG A 29 12.222 2.450 5.831 1.00 72.33 H new ATOM 0 HG2 ARG A 29 10.413 4.060 5.248 1.00 51.44 H new ATOM 0 HG3 ARG A 29 9.263 3.112 6.171 1.00 51.44 H new ATOM 0 HD2 ARG A 29 11.794 4.388 7.329 1.00 13.52 H new ATOM 0 HD3 ARG A 29 10.187 5.074 7.462 1.00 13.52 H new ATOM 0 HE ARG A 29 9.775 2.622 8.555 1.00 51.51 H new ATOM 0 HH11 ARG A 29 12.057 5.208 9.375 1.00 42.43 H new ATOM 0 HH12 ARG A 29 12.372 4.541 10.980 1.00 42.43 H new ATOM 0 HH21 ARG A 29 10.352 1.699 10.508 1.00 11.45 H new ATOM 0 HH22 ARG A 29 11.416 2.573 11.616 1.00 11.45 H new ATOM 380 N ASN A 30 12.984 0.170 4.320 1.00 21.31 N ATOM 381 CA ASN A 30 14.051 -0.828 4.472 1.00 51.54 C ATOM 382 C ASN A 30 14.025 -1.940 3.429 1.00 25.04 C ATOM 383 O ASN A 30 14.591 -3.005 3.652 1.00 74.41 O ATOM 384 CB ASN A 30 14.059 -1.423 5.900 1.00 62.22 C ATOM 385 CG ASN A 30 15.388 -2.087 6.225 1.00 2.33 C ATOM 386 OD1 ASN A 30 16.437 -1.497 5.967 1.00 30.45 O ATOM 387 ND2 ASN A 30 15.399 -3.272 6.803 1.00 30.13 N ATOM 0 H ASN A 30 13.333 1.040 3.917 1.00 21.31 H new ATOM 0 HA ASN A 30 14.979 -0.282 4.302 1.00 51.54 H new ATOM 0 HB2 ASN A 30 13.860 -0.633 6.624 1.00 62.22 H new ATOM 0 HB3 ASN A 30 13.255 -2.153 5.995 1.00 62.22 H new ATOM 0 HD21 ASN A 30 16.286 -3.714 7.044 1.00 30.13 H new ATOM 0 HD22 ASN A 30 14.520 -3.747 7.010 1.00 30.13 H new ATOM 393 N LEU A 31 13.393 -1.723 2.278 1.00 10.14 N ATOM 394 CA LEU A 31 13.232 -2.767 1.269 1.00 5.12 C ATOM 395 C LEU A 31 14.530 -2.979 0.518 1.00 65.24 C ATOM 396 O LEU A 31 15.496 -2.234 0.671 1.00 31.01 O ATOM 397 CB LEU A 31 12.119 -2.423 0.252 1.00 45.32 C ATOM 398 CG LEU A 31 10.721 -2.397 0.867 1.00 52.12 C ATOM 399 CD1 LEU A 31 10.530 -1.264 1.842 1.00 64.40 C ATOM 400 CD2 LEU A 31 9.619 -2.355 -0.183 1.00 5.41 C ATOM 0 H LEU A 31 12.981 -0.826 2.020 1.00 10.14 H new ATOM 0 HA LEU A 31 12.949 -3.677 1.798 1.00 5.12 H new ATOM 0 HB2 LEU A 31 12.331 -1.450 -0.192 1.00 45.32 H new ATOM 0 HB3 LEU A 31 12.138 -3.153 -0.557 1.00 45.32 H new ATOM 0 HG LEU A 31 10.641 -3.336 1.415 1.00 52.12 H new ATOM 0 HD11 LEU A 31 9.518 -1.298 2.246 1.00 64.40 H new ATOM 0 HD12 LEU A 31 11.249 -1.359 2.656 1.00 64.40 H new ATOM 0 HD13 LEU A 31 10.685 -0.314 1.331 1.00 64.40 H new ATOM 0 HD21 LEU A 31 8.647 -2.338 0.310 1.00 5.41 H new ATOM 0 HD22 LEU A 31 9.732 -1.459 -0.793 1.00 5.41 H new ATOM 0 HD23 LEU A 31 9.688 -3.238 -0.818 1.00 5.41 H new ATOM 411 N ASN A 32 14.531 -3.999 -0.331 1.00 11.35 N ATOM 412 CA ASN A 32 15.617 -4.251 -1.273 1.00 24.33 C ATOM 413 C ASN A 32 15.120 -4.008 -2.696 1.00 72.03 C ATOM 414 O ASN A 32 13.904 -4.015 -2.915 1.00 54.12 O ATOM 415 CB ASN A 32 16.162 -5.689 -1.088 1.00 50.23 C ATOM 416 CG ASN A 32 17.636 -5.716 -0.699 1.00 53.34 C ATOM 417 OD1 ASN A 32 18.176 -4.734 -0.201 1.00 63.21 O ATOM 418 ND2 ASN A 32 18.308 -6.824 -0.888 1.00 1.52 N ATOM 0 H ASN A 32 13.774 -4.680 -0.387 1.00 11.35 H new ATOM 0 HA ASN A 32 16.442 -3.565 -1.081 1.00 24.33 H new ATOM 0 HB2 ASN A 32 15.579 -6.198 -0.320 1.00 50.23 H new ATOM 0 HB3 ASN A 32 16.025 -6.247 -2.014 1.00 50.23 H new ATOM 0 HD21 ASN A 32 19.291 -6.876 -0.620 1.00 1.52 H new ATOM 0 HD22 ASN A 32 17.849 -7.635 -1.303 1.00 1.52 H new ATOM 424 N PRO A 33 16.016 -3.880 -3.693 1.00 11.41 N ATOM 425 CA PRO A 33 15.631 -3.684 -5.088 1.00 30.05 C ATOM 426 C PRO A 33 14.789 -4.814 -5.695 1.00 22.33 C ATOM 427 O PRO A 33 14.299 -4.647 -6.810 1.00 42.53 O ATOM 428 CB PRO A 33 16.936 -3.498 -5.864 1.00 13.12 C ATOM 429 CG PRO A 33 18.051 -3.958 -4.932 1.00 43.20 C ATOM 430 CD PRO A 33 17.461 -3.729 -3.549 1.00 12.41 C ATOM 0 HA PRO A 33 14.973 -2.817 -5.149 1.00 30.05 H new ATOM 0 HB2 PRO A 33 16.930 -4.084 -6.783 1.00 13.12 H new ATOM 0 HB3 PRO A 33 17.073 -2.456 -6.151 1.00 13.12 H new ATOM 0 HG2 PRO A 33 18.305 -5.006 -5.094 1.00 43.20 H new ATOM 0 HG3 PRO A 33 18.964 -3.382 -5.081 1.00 43.20 H new ATOM 0 HD2 PRO A 33 17.858 -4.448 -2.832 1.00 12.41 H new ATOM 0 HD3 PRO A 33 17.714 -2.736 -3.177 1.00 12.41 H new ATOM 435 N HIS A 34 14.627 -5.937 -4.987 1.00 64.23 N ATOM 436 CA HIS A 34 13.943 -7.148 -5.426 1.00 11.22 C ATOM 437 C HIS A 34 12.821 -7.576 -4.464 1.00 1.32 C ATOM 438 O HIS A 34 12.300 -8.686 -4.573 1.00 31.22 O ATOM 439 CB HIS A 34 14.995 -8.253 -5.577 1.00 33.21 C ATOM 440 CG HIS A 34 15.777 -8.149 -6.857 1.00 21.31 C ATOM 441 ND1 HIS A 34 15.607 -8.947 -7.965 1.00 21.35 N ATOM 442 CD2 HIS A 34 16.779 -7.260 -7.129 1.00 34.11 C ATOM 443 CE1 HIS A 34 16.498 -8.544 -8.888 1.00 62.32 C ATOM 444 NE2 HIS A 34 17.221 -7.505 -8.431 1.00 42.14 N ATOM 0 H HIS A 34 14.992 -6.025 -4.039 1.00 64.23 H new ATOM 0 HA HIS A 34 13.452 -6.954 -6.380 1.00 11.22 H new ATOM 0 HB2 HIS A 34 15.683 -8.210 -4.733 1.00 33.21 H new ATOM 0 HB3 HIS A 34 14.502 -9.224 -5.537 1.00 33.21 H new ATOM 0 HD2 HIS A 34 17.160 -6.504 -6.458 1.00 34.11 H new ATOM 0 HE1 HIS A 34 16.617 -8.993 -9.863 1.00 62.32 H new ATOM 0 HE2 HIS A 34 17.948 -6.997 -8.935 1.00 42.14 H new ATOM 451 N SER A 35 12.449 -6.746 -3.485 1.00 52.50 N ATOM 452 CA SER A 35 11.274 -7.022 -2.681 1.00 63.41 C ATOM 453 C SER A 35 10.023 -6.931 -3.579 1.00 21.31 C ATOM 454 O SER A 35 10.018 -6.200 -4.573 1.00 25.42 O ATOM 455 CB SER A 35 11.157 -6.044 -1.512 1.00 70.01 C ATOM 456 OG SER A 35 12.362 -5.969 -0.767 1.00 3.55 O ATOM 0 H SER A 35 12.944 -5.889 -3.238 1.00 52.50 H new ATOM 0 HA SER A 35 11.361 -8.024 -2.262 1.00 63.41 H new ATOM 0 HB2 SER A 35 10.901 -5.054 -1.890 1.00 70.01 H new ATOM 0 HB3 SER A 35 10.343 -6.356 -0.857 1.00 70.01 H new ATOM 0 HG SER A 35 12.169 -5.635 0.134 1.00 3.55 H new ATOM 461 N THR A 36 8.941 -7.596 -3.199 1.00 73.14 N ATOM 462 CA THR A 36 7.728 -7.727 -4.023 1.00 23.11 C ATOM 463 C THR A 36 6.436 -7.308 -3.311 1.00 31.33 C ATOM 464 O THR A 36 6.387 -7.255 -2.078 1.00 45.10 O ATOM 465 CB THR A 36 7.591 -9.170 -4.516 1.00 23.01 C ATOM 466 OG1 THR A 36 7.866 -10.105 -3.491 1.00 63.31 O ATOM 467 CG2 THR A 36 8.473 -9.457 -5.719 1.00 34.24 C ATOM 0 H THR A 36 8.871 -8.070 -2.298 1.00 73.14 H new ATOM 0 HA THR A 36 7.856 -7.037 -4.857 1.00 23.11 H new ATOM 0 HB THR A 36 6.551 -9.281 -4.822 1.00 23.01 H new ATOM 0 HG1 THR A 36 7.767 -11.014 -3.843 1.00 63.31 H new ATOM 0 HG21 THR A 36 8.339 -10.493 -6.030 1.00 34.24 H new ATOM 0 HG22 THR A 36 8.197 -8.794 -6.539 1.00 34.24 H new ATOM 0 HG23 THR A 36 9.517 -9.290 -5.453 1.00 34.24 H new ATOM 475 N MET A 37 5.375 -7.048 -4.084 1.00 31.34 N ATOM 476 CA MET A 37 4.074 -6.600 -3.613 1.00 12.21 C ATOM 477 C MET A 37 3.475 -7.587 -2.610 1.00 23.44 C ATOM 478 O MET A 37 2.857 -7.163 -1.635 1.00 51.41 O ATOM 479 CB MET A 37 3.142 -6.419 -4.818 1.00 54.32 C ATOM 480 CG MET A 37 1.685 -6.159 -4.408 1.00 64.20 C ATOM 481 SD MET A 37 0.674 -5.304 -5.642 1.00 75.33 S ATOM 482 CE MET A 37 1.323 -3.628 -5.447 1.00 62.32 C ATOM 0 H MET A 37 5.409 -7.151 -5.098 1.00 31.34 H new ATOM 0 HA MET A 37 4.193 -5.648 -3.096 1.00 12.21 H new ATOM 0 HB2 MET A 37 3.498 -5.587 -5.425 1.00 54.32 H new ATOM 0 HB3 MET A 37 3.185 -7.311 -5.443 1.00 54.32 H new ATOM 0 HG2 MET A 37 1.214 -7.114 -4.176 1.00 64.20 H new ATOM 0 HG3 MET A 37 1.683 -5.571 -3.490 1.00 64.20 H new ATOM 0 HE1 MET A 37 0.552 -2.906 -5.715 1.00 62.32 H new ATOM 0 HE2 MET A 37 1.622 -3.472 -4.411 1.00 62.32 H new ATOM 0 HE3 MET A 37 2.187 -3.494 -6.098 1.00 62.32 H new ATOM 490 N ASP A 38 3.634 -8.896 -2.841 1.00 45.51 N ATOM 491 CA ASP A 38 2.905 -9.904 -2.057 1.00 13.55 C ATOM 492 C ASP A 38 3.337 -9.893 -0.587 1.00 31.45 C ATOM 493 O ASP A 38 2.558 -10.264 0.289 1.00 45.54 O ATOM 494 CB ASP A 38 3.066 -11.310 -2.649 1.00 31.34 C ATOM 495 CG ASP A 38 1.970 -11.619 -3.661 1.00 41.34 C ATOM 496 OD1 ASP A 38 2.047 -11.091 -4.796 1.00 2.23 O ATOM 497 OD2 ASP A 38 1.033 -12.370 -3.314 1.00 41.32 O ATOM 0 H ASP A 38 4.253 -9.280 -3.555 1.00 45.51 H new ATOM 0 HA ASP A 38 1.849 -9.636 -2.105 1.00 13.55 H new ATOM 0 HB2 ASP A 38 4.041 -11.394 -3.130 1.00 31.34 H new ATOM 0 HB3 ASP A 38 3.041 -12.048 -1.848 1.00 31.34 H new ATOM 501 N SER A 39 4.547 -9.397 -0.309 1.00 72.11 N ATOM 502 CA SER A 39 5.065 -9.110 1.020 1.00 4.35 C ATOM 503 C SER A 39 4.139 -8.212 1.841 1.00 74.10 C ATOM 504 O SER A 39 4.203 -8.250 3.069 1.00 3.34 O ATOM 505 CB SER A 39 6.415 -8.388 0.910 1.00 21.14 C ATOM 506 OG SER A 39 7.217 -8.835 -0.169 1.00 73.04 O ATOM 0 H SER A 39 5.219 -9.176 -1.044 1.00 72.11 H new ATOM 0 HA SER A 39 5.157 -10.073 1.522 1.00 4.35 H new ATOM 0 HB2 SER A 39 6.236 -7.319 0.799 1.00 21.14 H new ATOM 0 HB3 SER A 39 6.966 -8.524 1.841 1.00 21.14 H new ATOM 0 HG SER A 39 7.224 -8.156 -0.875 1.00 73.04 H new ATOM 511 N ILE A 40 3.354 -7.350 1.193 1.00 52.22 N ATOM 512 CA ILE A 40 2.388 -6.497 1.858 1.00 61.30 C ATOM 513 C ILE A 40 1.066 -7.265 1.898 1.00 23.45 C ATOM 514 O ILE A 40 0.561 -7.536 2.983 1.00 12.32 O ATOM 515 CB ILE A 40 2.273 -5.107 1.183 1.00 1.44 C ATOM 516 CG1 ILE A 40 3.608 -4.341 1.012 1.00 30.25 C ATOM 517 CG2 ILE A 40 1.373 -4.232 2.069 1.00 1.15 C ATOM 518 CD1 ILE A 40 4.408 -4.700 -0.245 1.00 4.52 C ATOM 0 H ILE A 40 3.377 -7.229 0.180 1.00 52.22 H new ATOM 0 HA ILE A 40 2.707 -6.270 2.875 1.00 61.30 H new ATOM 0 HB ILE A 40 1.884 -5.292 0.182 1.00 1.44 H new ATOM 0 HG12 ILE A 40 3.396 -3.272 0.996 1.00 30.25 H new ATOM 0 HG13 ILE A 40 4.231 -4.529 1.886 1.00 30.25 H new ATOM 0 HG21 ILE A 40 1.271 -3.244 1.621 1.00 1.15 H new ATOM 0 HG22 ILE A 40 0.389 -4.694 2.157 1.00 1.15 H new ATOM 0 HG23 ILE A 40 1.819 -4.137 3.059 1.00 1.15 H new ATOM 0 HD11 ILE A 40 5.325 -4.111 -0.273 1.00 4.52 H new ATOM 0 HD12 ILE A 40 4.659 -5.761 -0.226 1.00 4.52 H new ATOM 0 HD13 ILE A 40 3.810 -4.484 -1.131 1.00 4.52 H new ATOM 529 N LEU A 41 0.518 -7.638 0.733 1.00 43.21 N ATOM 530 CA LEU A 41 -0.805 -8.241 0.611 1.00 1.42 C ATOM 531 C LEU A 41 -0.965 -9.433 1.546 1.00 3.14 C ATOM 532 O LEU A 41 -1.862 -9.412 2.381 1.00 22.42 O ATOM 533 CB LEU A 41 -1.105 -8.641 -0.844 1.00 70.21 C ATOM 534 CG LEU A 41 -1.647 -7.489 -1.707 1.00 1.53 C ATOM 535 CD1 LEU A 41 -0.677 -6.318 -1.834 1.00 1.23 C ATOM 536 CD2 LEU A 41 -1.998 -8.001 -3.105 1.00 32.12 C ATOM 0 H LEU A 41 0.994 -7.525 -0.162 1.00 43.21 H new ATOM 0 HA LEU A 41 -1.533 -7.486 0.909 1.00 1.42 H new ATOM 0 HB2 LEU A 41 -0.193 -9.026 -1.300 1.00 70.21 H new ATOM 0 HB3 LEU A 41 -1.830 -9.455 -0.845 1.00 70.21 H new ATOM 0 HG LEU A 41 -2.536 -7.118 -1.196 1.00 1.53 H new ATOM 0 HD11 LEU A 41 -1.123 -5.542 -2.456 1.00 1.23 H new ATOM 0 HD12 LEU A 41 -0.464 -5.913 -0.845 1.00 1.23 H new ATOM 0 HD13 LEU A 41 0.250 -6.662 -2.293 1.00 1.23 H new ATOM 0 HD21 LEU A 41 -2.381 -7.178 -3.708 1.00 32.12 H new ATOM 0 HD22 LEU A 41 -1.105 -8.412 -3.577 1.00 32.12 H new ATOM 0 HD23 LEU A 41 -2.758 -8.778 -3.028 1.00 32.12 H new ATOM 547 N GLY A 42 -0.104 -10.447 1.443 1.00 24.21 N ATOM 548 CA GLY A 42 -0.250 -11.657 2.239 1.00 61.12 C ATOM 549 C GLY A 42 -0.077 -11.393 3.730 1.00 14.22 C ATOM 550 O GLY A 42 -0.739 -12.037 4.537 1.00 23.35 O ATOM 0 H GLY A 42 0.700 -10.450 0.815 1.00 24.21 H new ATOM 0 HA2 GLY A 42 -1.234 -12.090 2.061 1.00 61.12 H new ATOM 0 HA3 GLY A 42 0.485 -12.393 1.915 1.00 61.12 H new ATOM 554 N ALA A 43 0.770 -10.426 4.107 1.00 2.33 N ATOM 555 CA ALA A 43 0.988 -10.097 5.511 1.00 5.52 C ATOM 556 C ALA A 43 -0.283 -9.547 6.155 1.00 73.02 C ATOM 557 O ALA A 43 -0.513 -9.763 7.346 1.00 30.01 O ATOM 558 CB ALA A 43 2.116 -9.066 5.644 1.00 31.15 C ATOM 0 H ALA A 43 1.313 -9.861 3.454 1.00 2.33 H new ATOM 0 HA ALA A 43 1.268 -11.015 6.028 1.00 5.52 H new ATOM 0 HB1 ALA A 43 2.269 -8.828 6.697 1.00 31.15 H new ATOM 0 HB2 ALA A 43 3.035 -9.477 5.227 1.00 31.15 H new ATOM 0 HB3 ALA A 43 1.846 -8.159 5.103 1.00 31.15 H new ATOM 564 N LEU A 44 -1.068 -8.787 5.390 1.00 74.14 N ATOM 565 CA LEU A 44 -2.103 -7.913 5.927 1.00 70.13 C ATOM 566 C LEU A 44 -3.501 -8.337 5.495 1.00 63.02 C ATOM 567 O LEU A 44 -4.470 -7.780 6.002 1.00 64.01 O ATOM 568 CB LEU A 44 -1.824 -6.459 5.514 1.00 71.11 C ATOM 569 CG LEU A 44 -0.413 -5.935 5.847 1.00 5.42 C ATOM 570 CD1 LEU A 44 -0.328 -4.442 5.518 1.00 44.42 C ATOM 571 CD2 LEU A 44 0.008 -6.158 7.303 1.00 25.22 C ATOM 0 H LEU A 44 -1.000 -8.763 4.373 1.00 74.14 H new ATOM 0 HA LEU A 44 -2.072 -7.993 7.014 1.00 70.13 H new ATOM 0 HB2 LEU A 44 -1.982 -6.368 4.439 1.00 71.11 H new ATOM 0 HB3 LEU A 44 -2.556 -5.814 6.000 1.00 71.11 H new ATOM 0 HG LEU A 44 0.278 -6.513 5.233 1.00 5.42 H new ATOM 0 HD11 LEU A 44 0.670 -4.074 5.754 1.00 44.42 H new ATOM 0 HD12 LEU A 44 -0.529 -4.291 4.457 1.00 44.42 H new ATOM 0 HD13 LEU A 44 -1.065 -3.897 6.108 1.00 44.42 H new ATOM 0 HD21 LEU A 44 1.012 -5.762 7.456 1.00 25.22 H new ATOM 0 HD22 LEU A 44 -0.689 -5.646 7.966 1.00 25.22 H new ATOM 0 HD23 LEU A 44 0.001 -7.225 7.524 1.00 25.22 H new ATOM 582 N ALA A 45 -3.627 -9.317 4.597 1.00 12.35 N ATOM 583 CA ALA A 45 -4.879 -9.744 3.990 1.00 41.51 C ATOM 584 C ALA A 45 -6.005 -9.953 5.012 1.00 23.02 C ATOM 585 O ALA A 45 -7.017 -9.263 4.902 1.00 72.33 O ATOM 586 CB ALA A 45 -4.653 -10.958 3.081 1.00 31.21 C ATOM 0 H ALA A 45 -2.825 -9.852 4.263 1.00 12.35 H new ATOM 0 HA ALA A 45 -5.232 -8.928 3.360 1.00 41.51 H new ATOM 0 HB1 ALA A 45 -5.601 -11.262 2.637 1.00 31.21 H new ATOM 0 HB2 ALA A 45 -3.950 -10.695 2.291 1.00 31.21 H new ATOM 0 HB3 ALA A 45 -4.247 -11.782 3.668 1.00 31.21 H new ATOM 592 N PRO A 46 -5.892 -10.838 6.021 1.00 31.33 N ATOM 593 CA PRO A 46 -6.970 -11.027 6.993 1.00 2.12 C ATOM 594 C PRO A 46 -7.168 -9.860 7.972 1.00 30.02 C ATOM 595 O PRO A 46 -8.081 -9.914 8.804 1.00 73.43 O ATOM 596 CB PRO A 46 -6.644 -12.344 7.707 1.00 24.41 C ATOM 597 CG PRO A 46 -5.123 -12.431 7.609 1.00 64.32 C ATOM 598 CD PRO A 46 -4.823 -11.801 6.255 1.00 51.31 C ATOM 0 HA PRO A 46 -7.931 -11.062 6.479 1.00 2.12 H new ATOM 0 HB2 PRO A 46 -6.980 -12.333 8.744 1.00 24.41 H new ATOM 0 HB3 PRO A 46 -7.127 -13.193 7.224 1.00 24.41 H new ATOM 0 HG2 PRO A 46 -4.636 -11.891 8.421 1.00 64.32 H new ATOM 0 HG3 PRO A 46 -4.775 -13.463 7.659 1.00 64.32 H new ATOM 0 HD2 PRO A 46 -3.849 -11.311 6.258 1.00 51.31 H new ATOM 0 HD3 PRO A 46 -4.797 -12.556 5.469 1.00 51.31 H new ATOM 603 N TYR A 47 -6.357 -8.805 7.895 1.00 45.14 N ATOM 604 CA TYR A 47 -6.354 -7.677 8.821 1.00 22.35 C ATOM 605 C TYR A 47 -6.816 -6.395 8.135 1.00 72.01 C ATOM 606 O TYR A 47 -6.809 -5.349 8.779 1.00 5.43 O ATOM 607 CB TYR A 47 -4.948 -7.525 9.438 1.00 71.31 C ATOM 608 CG TYR A 47 -4.340 -8.818 9.964 1.00 64.23 C ATOM 609 CD1 TYR A 47 -5.163 -9.778 10.582 1.00 5.35 C ATOM 610 CD2 TYR A 47 -2.973 -9.104 9.780 1.00 61.02 C ATOM 611 CE1 TYR A 47 -4.658 -11.037 10.937 1.00 45.20 C ATOM 612 CE2 TYR A 47 -2.447 -10.350 10.170 1.00 34.22 C ATOM 613 CZ TYR A 47 -3.297 -11.341 10.714 1.00 53.34 C ATOM 614 OH TYR A 47 -2.843 -12.607 10.925 1.00 52.12 O ATOM 0 H TYR A 47 -5.659 -8.711 7.158 1.00 45.14 H new ATOM 0 HA TYR A 47 -7.065 -7.872 9.624 1.00 22.35 H new ATOM 0 HB2 TYR A 47 -4.280 -7.105 8.686 1.00 71.31 H new ATOM 0 HB3 TYR A 47 -5.001 -6.806 10.255 1.00 71.31 H new ATOM 0 HD1 TYR A 47 -6.197 -9.542 10.785 1.00 5.35 H new ATOM 0 HD2 TYR A 47 -2.325 -8.363 9.337 1.00 61.02 H new ATOM 0 HE1 TYR A 47 -5.310 -11.775 11.381 1.00 45.20 H new ATOM 0 HE2 TYR A 47 -1.392 -10.550 10.054 1.00 34.22 H new ATOM 0 HH TYR A 47 -1.885 -12.649 10.724 1.00 52.12 H new ATOM 623 N ALA A 48 -7.186 -6.453 6.853 1.00 33.02 N ATOM 624 CA ALA A 48 -7.518 -5.279 6.053 1.00 12.12 C ATOM 625 C ALA A 48 -8.613 -5.587 5.035 1.00 75.32 C ATOM 626 O ALA A 48 -8.859 -6.750 4.701 1.00 71.23 O ATOM 627 CB ALA A 48 -6.242 -4.775 5.369 1.00 54.44 C ATOM 0 H ALA A 48 -7.263 -7.330 6.338 1.00 33.02 H new ATOM 0 HA ALA A 48 -7.913 -4.498 6.703 1.00 12.12 H new ATOM 0 HB1 ALA A 48 -6.475 -3.897 4.767 1.00 54.44 H new ATOM 0 HB2 ALA A 48 -5.504 -4.511 6.126 1.00 54.44 H new ATOM 0 HB3 ALA A 48 -5.839 -5.559 4.727 1.00 54.44 H new ATOM 633 N VAL A 49 -9.213 -4.541 4.465 1.00 43.31 N ATOM 634 CA VAL A 49 -10.088 -4.638 3.308 1.00 31.52 C ATOM 635 C VAL A 49 -9.507 -3.763 2.194 1.00 21.45 C ATOM 636 O VAL A 49 -9.753 -2.564 2.092 1.00 4.23 O ATOM 637 CB VAL A 49 -11.566 -4.451 3.696 1.00 32.41 C ATOM 638 CG1 VAL A 49 -11.962 -3.046 4.149 1.00 33.23 C ATOM 639 CG2 VAL A 49 -12.449 -4.901 2.531 1.00 75.10 C ATOM 0 H VAL A 49 -9.099 -3.586 4.805 1.00 43.31 H new ATOM 0 HA VAL A 49 -10.116 -5.642 2.885 1.00 31.52 H new ATOM 0 HB VAL A 49 -11.718 -5.071 4.579 1.00 32.41 H new ATOM 0 HG11 VAL A 49 -13.023 -3.029 4.397 1.00 33.23 H new ATOM 0 HG12 VAL A 49 -11.379 -2.769 5.028 1.00 33.23 H new ATOM 0 HG13 VAL A 49 -11.766 -2.336 3.346 1.00 33.23 H new ATOM 0 HG21 VAL A 49 -13.498 -4.772 2.798 1.00 75.10 H new ATOM 0 HG22 VAL A 49 -12.222 -4.301 1.650 1.00 75.10 H new ATOM 0 HG23 VAL A 49 -12.257 -5.952 2.314 1.00 75.10 H new ATOM 649 N LEU A 50 -8.627 -4.372 1.401 1.00 73.44 N ATOM 650 CA LEU A 50 -7.829 -3.709 0.374 1.00 73.14 C ATOM 651 C LEU A 50 -7.573 -4.643 -0.803 1.00 71.42 C ATOM 652 O LEU A 50 -7.978 -5.804 -0.773 1.00 23.13 O ATOM 653 CB LEU A 50 -6.518 -3.197 0.995 1.00 34.31 C ATOM 654 CG LEU A 50 -5.676 -4.205 1.799 1.00 1.21 C ATOM 655 CD1 LEU A 50 -5.053 -5.346 0.988 1.00 2.54 C ATOM 656 CD2 LEU A 50 -4.547 -3.403 2.440 1.00 71.04 C ATOM 0 H LEU A 50 -8.445 -5.374 1.459 1.00 73.44 H new ATOM 0 HA LEU A 50 -8.381 -2.854 -0.016 1.00 73.14 H new ATOM 0 HB2 LEU A 50 -5.896 -2.803 0.192 1.00 34.31 H new ATOM 0 HB3 LEU A 50 -6.760 -2.361 1.651 1.00 34.31 H new ATOM 0 HG LEU A 50 -6.347 -4.693 2.506 1.00 1.21 H new ATOM 0 HD11 LEU A 50 -4.483 -5.995 1.652 1.00 2.54 H new ATOM 0 HD12 LEU A 50 -5.842 -5.923 0.506 1.00 2.54 H new ATOM 0 HD13 LEU A 50 -4.390 -4.932 0.228 1.00 2.54 H new ATOM 0 HD21 LEU A 50 -3.914 -4.070 3.026 1.00 71.04 H new ATOM 0 HD22 LEU A 50 -3.950 -2.928 1.661 1.00 71.04 H new ATOM 0 HD23 LEU A 50 -4.969 -2.638 3.092 1.00 71.04 H new ATOM 667 N SER A 51 -6.877 -4.142 -1.823 1.00 64.21 N ATOM 668 CA SER A 51 -6.330 -4.930 -2.923 1.00 42.32 C ATOM 669 C SER A 51 -5.027 -4.291 -3.421 1.00 21.21 C ATOM 670 O SER A 51 -4.556 -3.294 -2.866 1.00 15.41 O ATOM 671 CB SER A 51 -7.395 -5.073 -4.025 1.00 64.41 C ATOM 672 OG SER A 51 -8.044 -3.843 -4.314 1.00 12.32 O ATOM 0 H SER A 51 -6.673 -3.146 -1.908 1.00 64.21 H new ATOM 0 HA SER A 51 -6.077 -5.936 -2.589 1.00 42.32 H new ATOM 0 HB2 SER A 51 -6.926 -5.455 -4.932 1.00 64.41 H new ATOM 0 HB3 SER A 51 -8.138 -5.809 -3.716 1.00 64.41 H new ATOM 0 HG SER A 51 -8.710 -3.982 -5.020 1.00 12.32 H new ATOM 677 N SER A 52 -4.455 -4.833 -4.499 1.00 11.32 N ATOM 678 CA SER A 52 -3.256 -4.352 -5.184 1.00 71.11 C ATOM 679 C SER A 52 -3.368 -2.906 -5.706 1.00 33.35 C ATOM 680 O SER A 52 -2.370 -2.358 -6.176 1.00 73.12 O ATOM 681 CB SER A 52 -2.907 -5.348 -6.311 1.00 40.13 C ATOM 682 OG SER A 52 -4.076 -5.905 -6.910 1.00 62.40 O ATOM 0 H SER A 52 -4.840 -5.668 -4.941 1.00 11.32 H new ATOM 0 HA SER A 52 -2.447 -4.308 -4.455 1.00 71.11 H new ATOM 0 HB2 SER A 52 -2.315 -4.841 -7.073 1.00 40.13 H new ATOM 0 HB3 SER A 52 -2.288 -6.150 -5.908 1.00 40.13 H new ATOM 0 HG SER A 52 -3.815 -6.529 -7.619 1.00 62.40 H new ATOM 687 N SER A 53 -4.540 -2.261 -5.633 1.00 21.52 N ATOM 688 CA SER A 53 -4.648 -0.828 -5.879 1.00 42.32 C ATOM 689 C SER A 53 -4.102 0.019 -4.721 1.00 61.12 C ATOM 690 O SER A 53 -3.574 1.109 -4.959 1.00 32.55 O ATOM 691 CB SER A 53 -6.106 -0.447 -6.142 1.00 4.04 C ATOM 692 OG SER A 53 -6.427 -0.708 -7.498 1.00 64.20 O ATOM 0 H SER A 53 -5.424 -2.715 -5.405 1.00 21.52 H new ATOM 0 HA SER A 53 -4.037 -0.615 -6.756 1.00 42.32 H new ATOM 0 HB2 SER A 53 -6.765 -1.015 -5.486 1.00 4.04 H new ATOM 0 HB3 SER A 53 -6.263 0.608 -5.917 1.00 4.04 H new ATOM 0 HG SER A 53 -7.362 -0.465 -7.665 1.00 64.20 H new ATOM 697 N ASN A 54 -4.262 -0.438 -3.476 1.00 24.53 N ATOM 698 CA ASN A 54 -3.905 0.325 -2.282 1.00 2.04 C ATOM 699 C ASN A 54 -2.395 0.513 -2.212 1.00 11.43 C ATOM 700 O ASN A 54 -1.895 1.636 -2.092 1.00 61.43 O ATOM 701 CB ASN A 54 -4.387 -0.396 -1.013 1.00 73.11 C ATOM 702 CG ASN A 54 -5.899 -0.385 -0.907 1.00 54.01 C ATOM 703 OD1 ASN A 54 -6.573 -1.117 -1.632 1.00 1.01 O ATOM 704 ND2 ASN A 54 -6.460 0.433 -0.039 1.00 41.33 N ATOM 0 H ASN A 54 -4.648 -1.359 -3.269 1.00 24.53 H new ATOM 0 HA ASN A 54 -4.391 1.299 -2.343 1.00 2.04 H new ATOM 0 HB2 ASN A 54 -4.029 -1.426 -1.020 1.00 73.11 H new ATOM 0 HB3 ASN A 54 -3.956 0.085 -0.135 1.00 73.11 H new ATOM 0 HD21 ASN A 54 -7.476 0.470 0.044 1.00 41.33 H new ATOM 0 HD22 ASN A 54 -5.878 1.029 0.550 1.00 41.33 H new ATOM 710 N VAL A 55 -1.685 -0.612 -2.236 1.00 1.11 N ATOM 711 CA VAL A 55 -0.238 -0.691 -2.174 1.00 75.01 C ATOM 712 C VAL A 55 0.315 -0.163 -3.496 1.00 54.41 C ATOM 713 O VAL A 55 -0.158 -0.545 -4.565 1.00 75.11 O ATOM 714 CB VAL A 55 0.177 -2.157 -1.920 1.00 41.50 C ATOM 715 CG1 VAL A 55 1.698 -2.307 -1.762 1.00 51.11 C ATOM 716 CG2 VAL A 55 -0.481 -2.726 -0.657 1.00 34.22 C ATOM 0 H VAL A 55 -2.126 -1.529 -2.302 1.00 1.11 H new ATOM 0 HA VAL A 55 0.164 -0.089 -1.359 1.00 75.01 H new ATOM 0 HB VAL A 55 -0.159 -2.710 -2.797 1.00 41.50 H new ATOM 0 HG11 VAL A 55 1.944 -3.354 -1.585 1.00 51.11 H new ATOM 0 HG12 VAL A 55 2.194 -1.966 -2.671 1.00 51.11 H new ATOM 0 HG13 VAL A 55 2.037 -1.707 -0.918 1.00 51.11 H new ATOM 0 HG21 VAL A 55 -0.163 -3.759 -0.515 1.00 34.22 H new ATOM 0 HG22 VAL A 55 -0.183 -2.132 0.207 1.00 34.22 H new ATOM 0 HG23 VAL A 55 -1.565 -2.692 -0.765 1.00 34.22 H new ATOM 726 N ARG A 56 1.360 0.662 -3.436 1.00 11.41 N ATOM 727 CA ARG A 56 2.135 1.055 -4.604 1.00 73.52 C ATOM 728 C ARG A 56 3.594 0.832 -4.271 1.00 55.53 C ATOM 729 O ARG A 56 4.013 0.997 -3.128 1.00 15.14 O ATOM 730 CB ARG A 56 1.858 2.527 -4.950 1.00 23.21 C ATOM 731 CG ARG A 56 2.194 2.888 -6.404 1.00 0.34 C ATOM 732 CD ARG A 56 1.135 2.392 -7.395 1.00 74.40 C ATOM 733 NE ARG A 56 -0.055 3.254 -7.395 1.00 40.40 N ATOM 734 CZ ARG A 56 -0.925 3.425 -8.396 1.00 40.24 C ATOM 735 NH1 ARG A 56 -0.880 2.668 -9.491 1.00 23.52 N ATOM 736 NH2 ARG A 56 -1.831 4.390 -8.289 1.00 60.52 N ATOM 0 H ARG A 56 1.692 1.078 -2.566 1.00 11.41 H new ATOM 0 HA ARG A 56 1.859 0.463 -5.477 1.00 73.52 H new ATOM 0 HB2 ARG A 56 0.806 2.744 -4.764 1.00 23.21 H new ATOM 0 HB3 ARG A 56 2.438 3.164 -4.282 1.00 23.21 H new ATOM 0 HG2 ARG A 56 2.291 3.970 -6.493 1.00 0.34 H new ATOM 0 HG3 ARG A 56 3.161 2.459 -6.667 1.00 0.34 H new ATOM 0 HD2 ARG A 56 1.561 2.360 -8.398 1.00 74.40 H new ATOM 0 HD3 ARG A 56 0.846 1.373 -7.139 1.00 74.40 H new ATOM 0 HE ARG A 56 -0.237 3.778 -6.539 1.00 40.40 H new ATOM 0 HH11 ARG A 56 -0.171 1.940 -9.579 1.00 23.52 H new ATOM 0 HH12 ARG A 56 -1.554 2.817 -10.242 1.00 23.52 H new ATOM 0 HH21 ARG A 56 -1.852 4.980 -7.457 1.00 60.52 H new ATOM 0 HH22 ARG A 56 -2.506 4.541 -9.039 1.00 60.52 H new ATOM 747 N VAL A 57 4.394 0.506 -5.270 1.00 12.34 N ATOM 748 CA VAL A 57 5.816 0.273 -5.117 1.00 31.23 C ATOM 749 C VAL A 57 6.520 1.110 -6.161 1.00 60.20 C ATOM 750 O VAL A 57 6.320 0.947 -7.366 1.00 53.51 O ATOM 751 CB VAL A 57 6.134 -1.229 -5.099 1.00 72.41 C ATOM 752 CG1 VAL A 57 5.391 -2.031 -6.171 1.00 11.12 C ATOM 753 CG2 VAL A 57 7.649 -1.452 -5.227 1.00 2.11 C ATOM 0 H VAL A 57 4.065 0.394 -6.229 1.00 12.34 H new ATOM 0 HA VAL A 57 6.197 0.599 -4.149 1.00 31.23 H new ATOM 0 HB VAL A 57 5.779 -1.603 -4.138 1.00 72.41 H new ATOM 0 HG11 VAL A 57 5.667 -3.083 -6.095 1.00 11.12 H new ATOM 0 HG12 VAL A 57 4.316 -1.926 -6.024 1.00 11.12 H new ATOM 0 HG13 VAL A 57 5.660 -1.656 -7.158 1.00 11.12 H new ATOM 0 HG21 VAL A 57 7.862 -2.521 -5.213 1.00 2.11 H new ATOM 0 HG22 VAL A 57 8.002 -1.024 -6.165 1.00 2.11 H new ATOM 0 HG23 VAL A 57 8.159 -0.969 -4.394 1.00 2.11 H new ATOM 763 N ILE A 58 7.273 2.082 -5.666 1.00 71.02 N ATOM 764 CA ILE A 58 8.056 3.005 -6.461 1.00 22.05 C ATOM 765 C ILE A 58 9.404 2.341 -6.715 1.00 31.02 C ATOM 766 O ILE A 58 10.137 1.942 -5.801 1.00 22.23 O ATOM 767 CB ILE A 58 8.171 4.371 -5.748 1.00 4.44 C ATOM 768 CG1 ILE A 58 6.838 4.898 -5.159 1.00 51.50 C ATOM 769 CG2 ILE A 58 8.768 5.412 -6.708 1.00 3.31 C ATOM 770 CD1 ILE A 58 5.665 4.989 -6.144 1.00 52.00 C ATOM 0 H ILE A 58 7.355 2.252 -4.664 1.00 71.02 H new ATOM 0 HA ILE A 58 7.581 3.220 -7.419 1.00 22.05 H new ATOM 0 HB ILE A 58 8.831 4.210 -4.895 1.00 4.44 H new ATOM 0 HG12 ILE A 58 6.545 4.249 -4.333 1.00 51.50 H new ATOM 0 HG13 ILE A 58 7.014 5.889 -4.740 1.00 51.50 H new ATOM 0 HG21 ILE A 58 8.847 6.373 -6.200 1.00 3.31 H new ATOM 0 HG22 ILE A 58 9.759 5.088 -7.026 1.00 3.31 H new ATOM 0 HG23 ILE A 58 8.123 5.515 -7.580 1.00 3.31 H new ATOM 0 HD11 ILE A 58 4.784 5.369 -5.627 1.00 52.00 H new ATOM 0 HD12 ILE A 58 5.926 5.664 -6.959 1.00 52.00 H new ATOM 0 HD13 ILE A 58 5.450 3.999 -6.547 1.00 52.00 H new ATOM 781 N LYS A 59 9.708 2.198 -7.995 1.00 15.54 N ATOM 782 CA LYS A 59 10.926 1.610 -8.510 1.00 14.53 C ATOM 783 C LYS A 59 11.578 2.645 -9.414 1.00 35.02 C ATOM 784 O LYS A 59 11.054 3.743 -9.619 1.00 21.11 O ATOM 785 CB LYS A 59 10.641 0.250 -9.191 1.00 23.02 C ATOM 786 CG LYS A 59 9.244 0.118 -9.819 1.00 31.04 C ATOM 787 CD LYS A 59 9.171 -0.963 -10.901 1.00 0.41 C ATOM 788 CE LYS A 59 9.028 -2.299 -10.182 1.00 63.24 C ATOM 789 NZ LYS A 59 9.212 -3.458 -11.078 1.00 64.32 N ATOM 0 H LYS A 59 9.078 2.505 -8.736 1.00 15.54 H new ATOM 0 HA LYS A 59 11.628 1.366 -7.713 1.00 14.53 H new ATOM 0 HB2 LYS A 59 11.389 0.085 -9.967 1.00 23.02 H new ATOM 0 HB3 LYS A 59 10.768 -0.542 -8.453 1.00 23.02 H new ATOM 0 HG2 LYS A 59 8.521 -0.110 -9.036 1.00 31.04 H new ATOM 0 HG3 LYS A 59 8.954 1.076 -10.251 1.00 31.04 H new ATOM 0 HD2 LYS A 59 8.324 -0.789 -11.565 1.00 0.41 H new ATOM 0 HD3 LYS A 59 10.068 -0.951 -11.520 1.00 0.41 H new ATOM 0 HE2 LYS A 59 9.759 -2.351 -9.375 1.00 63.24 H new ATOM 0 HE3 LYS A 59 8.041 -2.355 -9.723 1.00 63.24 H new ATOM 0 HZ1 LYS A 59 8.829 -4.312 -10.624 1.00 64.32 H new ATOM 0 HZ2 LYS A 59 8.711 -3.288 -11.973 1.00 64.32 H new ATOM 0 HZ3 LYS A 59 10.226 -3.592 -11.269 1.00 64.32 H new ATOM 799 N ASP A 60 12.774 2.349 -9.884 1.00 42.11 N ATOM 800 CA ASP A 60 13.438 3.152 -10.889 1.00 73.14 C ATOM 801 C ASP A 60 12.687 3.029 -12.225 1.00 2.23 C ATOM 802 O ASP A 60 11.885 2.116 -12.437 1.00 15.35 O ATOM 803 CB ASP A 60 14.892 2.693 -10.962 1.00 61.14 C ATOM 804 CG ASP A 60 15.661 3.413 -12.058 1.00 55.54 C ATOM 805 OD1 ASP A 60 15.442 4.638 -12.243 1.00 15.41 O ATOM 806 OD2 ASP A 60 16.396 2.711 -12.778 1.00 73.13 O ATOM 0 H ASP A 60 13.314 1.540 -9.577 1.00 42.11 H new ATOM 0 HA ASP A 60 13.432 4.212 -10.637 1.00 73.14 H new ATOM 0 HB2 ASP A 60 15.377 2.870 -10.002 1.00 61.14 H new ATOM 0 HB3 ASP A 60 14.925 1.618 -11.142 1.00 61.14 H new ATOM 810 N LYS A 61 12.899 3.994 -13.115 1.00 15.13 N ATOM 811 CA LYS A 61 12.448 3.996 -14.495 1.00 34.12 C ATOM 812 C LYS A 61 13.476 3.362 -15.429 1.00 41.44 C ATOM 813 O LYS A 61 13.063 2.700 -16.378 1.00 24.45 O ATOM 814 CB LYS A 61 12.180 5.448 -14.891 1.00 23.42 C ATOM 815 CG LYS A 61 11.824 5.672 -16.360 1.00 43.32 C ATOM 816 CD LYS A 61 10.556 4.955 -16.838 1.00 74.22 C ATOM 817 CE LYS A 61 10.129 5.617 -18.150 1.00 60.21 C ATOM 818 NZ LYS A 61 8.980 4.965 -18.807 1.00 72.30 N ATOM 0 H LYS A 61 13.418 4.839 -12.876 1.00 15.13 H new ATOM 0 HA LYS A 61 11.541 3.398 -14.584 1.00 34.12 H new ATOM 0 HB2 LYS A 61 11.366 5.830 -14.275 1.00 23.42 H new ATOM 0 HB3 LYS A 61 13.064 6.040 -14.655 1.00 23.42 H new ATOM 0 HG2 LYS A 61 11.704 6.742 -16.530 1.00 43.32 H new ATOM 0 HG3 LYS A 61 12.662 5.344 -16.975 1.00 43.32 H new ATOM 0 HD2 LYS A 61 10.748 3.893 -16.988 1.00 74.22 H new ATOM 0 HD3 LYS A 61 9.765 5.034 -16.092 1.00 74.22 H new ATOM 0 HE2 LYS A 61 9.878 6.659 -17.954 1.00 60.21 H new ATOM 0 HE3 LYS A 61 10.975 5.617 -18.837 1.00 60.21 H new ATOM 0 HZ1 LYS A 61 8.751 5.470 -19.687 1.00 72.30 H new ATOM 0 HZ2 LYS A 61 9.220 3.977 -19.027 1.00 72.30 H new ATOM 0 HZ3 LYS A 61 8.158 4.988 -18.171 1.00 72.30 H new ATOM 828 N GLN A 62 14.777 3.597 -15.229 1.00 73.52 N ATOM 829 CA GLN A 62 15.807 3.135 -16.159 1.00 73.32 C ATOM 830 C GLN A 62 15.801 1.613 -16.166 1.00 41.12 C ATOM 831 O GLN A 62 15.568 0.964 -17.190 1.00 21.35 O ATOM 832 CB GLN A 62 17.202 3.677 -15.807 1.00 31.35 C ATOM 833 CG GLN A 62 17.202 5.164 -15.463 1.00 72.00 C ATOM 834 CD GLN A 62 18.594 5.771 -15.357 1.00 32.43 C ATOM 835 OE1 GLN A 62 19.592 5.077 -15.188 1.00 43.33 O ATOM 836 NE2 GLN A 62 18.675 7.085 -15.461 1.00 0.13 N ATOM 0 H GLN A 62 15.141 4.108 -14.425 1.00 73.52 H new ATOM 0 HA GLN A 62 15.577 3.518 -17.153 1.00 73.32 H new ATOM 0 HB2 GLN A 62 17.600 3.115 -14.962 1.00 31.35 H new ATOM 0 HB3 GLN A 62 17.874 3.506 -16.648 1.00 31.35 H new ATOM 0 HG2 GLN A 62 16.638 5.703 -16.224 1.00 72.00 H new ATOM 0 HG3 GLN A 62 16.680 5.308 -14.517 1.00 72.00 H new ATOM 0 HE21 GLN A 62 17.830 7.639 -15.601 1.00 0.13 H new ATOM 0 HE22 GLN A 62 19.583 7.546 -15.401 1.00 0.13 H new ATOM 843 N THR A 63 16.032 1.078 -14.979 1.00 23.34 N ATOM 844 CA THR A 63 15.898 -0.290 -14.553 1.00 15.11 C ATOM 845 C THR A 63 14.443 -0.456 -14.090 1.00 55.51 C ATOM 846 O THR A 63 13.609 0.418 -14.337 1.00 63.32 O ATOM 847 CB THR A 63 16.972 -0.538 -13.470 1.00 11.11 C ATOM 848 OG1 THR A 63 16.698 0.168 -12.276 1.00 1.14 O ATOM 849 CG2 THR A 63 18.360 -0.079 -13.935 1.00 24.14 C ATOM 0 H THR A 63 16.354 1.665 -14.210 1.00 23.34 H new ATOM 0 HA THR A 63 16.072 -1.037 -15.327 1.00 15.11 H new ATOM 0 HB THR A 63 16.954 -1.613 -13.291 1.00 11.11 H new ATOM 0 HG1 THR A 63 16.915 1.116 -12.399 1.00 1.14 H new ATOM 0 HG21 THR A 63 19.089 -0.269 -13.147 1.00 24.14 H new ATOM 0 HG22 THR A 63 18.643 -0.629 -14.832 1.00 24.14 H new ATOM 0 HG23 THR A 63 18.335 0.988 -14.156 1.00 24.14 H new ATOM 857 N GLN A 64 14.100 -1.560 -13.425 1.00 1.15 N ATOM 858 CA GLN A 64 12.763 -1.785 -12.880 1.00 20.15 C ATOM 859 C GLN A 64 12.842 -2.160 -11.396 1.00 72.01 C ATOM 860 O GLN A 64 11.990 -2.899 -10.902 1.00 14.35 O ATOM 861 CB GLN A 64 12.048 -2.844 -13.740 1.00 75.43 C ATOM 862 CG GLN A 64 11.732 -2.346 -15.156 1.00 20.32 C ATOM 863 CD GLN A 64 10.610 -1.313 -15.154 1.00 2.22 C ATOM 864 OE1 GLN A 64 9.436 -1.662 -15.183 1.00 63.32 O ATOM 865 NE2 GLN A 64 10.917 -0.030 -15.080 1.00 44.23 N ATOM 0 H GLN A 64 14.748 -2.328 -13.249 1.00 1.15 H new ATOM 0 HA GLN A 64 12.172 -0.870 -12.923 1.00 20.15 H new ATOM 0 HB2 GLN A 64 12.672 -3.735 -13.804 1.00 75.43 H new ATOM 0 HB3 GLN A 64 11.121 -3.139 -13.248 1.00 75.43 H new ATOM 0 HG2 GLN A 64 12.628 -1.909 -15.596 1.00 20.32 H new ATOM 0 HG3 GLN A 64 11.448 -3.191 -15.784 1.00 20.32 H new ATOM 0 HE21 GLN A 64 11.895 0.260 -15.056 1.00 44.23 H new ATOM 0 HE22 GLN A 64 10.176 0.671 -15.047 1.00 44.23 H new ATOM 872 N LEU A 65 13.878 -1.693 -10.697 1.00 1.41 N ATOM 873 CA LEU A 65 14.214 -2.149 -9.352 1.00 62.20 C ATOM 874 C LEU A 65 13.686 -1.179 -8.316 1.00 22.43 C ATOM 875 O LEU A 65 13.597 0.017 -8.582 1.00 32.01 O ATOM 876 CB LEU A 65 15.727 -2.224 -9.202 1.00 25.13 C ATOM 877 CG LEU A 65 16.414 -3.185 -10.179 1.00 1.11 C ATOM 878 CD1 LEU A 65 17.905 -3.112 -9.885 1.00 73.33 C ATOM 879 CD2 LEU A 65 15.930 -4.632 -10.048 1.00 23.43 C ATOM 0 H LEU A 65 14.513 -0.980 -11.055 1.00 1.41 H new ATOM 0 HA LEU A 65 13.764 -3.130 -9.201 1.00 62.20 H new ATOM 0 HB2 LEU A 65 16.143 -1.226 -9.340 1.00 25.13 H new ATOM 0 HB3 LEU A 65 15.964 -2.530 -8.183 1.00 25.13 H new ATOM 0 HG LEU A 65 16.174 -2.884 -11.199 1.00 1.11 H new ATOM 0 HD11 LEU A 65 18.442 -3.781 -10.557 1.00 73.33 H new ATOM 0 HD12 LEU A 65 18.256 -2.091 -10.034 1.00 73.33 H new ATOM 0 HD13 LEU A 65 18.087 -3.411 -8.853 1.00 73.33 H new ATOM 0 HD21 LEU A 65 16.457 -5.258 -10.768 1.00 23.43 H new ATOM 0 HD22 LEU A 65 16.130 -4.993 -9.039 1.00 23.43 H new ATOM 0 HD23 LEU A 65 14.859 -4.676 -10.244 1.00 23.43 H new ATOM 890 N ASN A 66 13.379 -1.676 -7.122 1.00 53.24 N ATOM 891 CA ASN A 66 12.721 -0.847 -6.104 1.00 1.25 C ATOM 892 C ASN A 66 13.657 0.246 -5.633 1.00 50.30 C ATOM 893 O ASN A 66 14.841 -0.006 -5.414 1.00 70.42 O ATOM 894 CB ASN A 66 12.286 -1.627 -4.862 1.00 54.41 C ATOM 895 CG ASN A 66 11.380 -2.786 -5.201 1.00 21.24 C ATOM 896 OD1 ASN A 66 10.499 -2.674 -6.047 1.00 21.23 O ATOM 897 ND2 ASN A 66 11.600 -3.910 -4.552 1.00 61.00 N ATOM 0 H ASN A 66 13.570 -2.635 -6.833 1.00 53.24 H new ATOM 0 HA ASN A 66 11.833 -0.446 -6.592 1.00 1.25 H new ATOM 0 HB2 ASN A 66 13.169 -1.999 -4.342 1.00 54.41 H new ATOM 0 HB3 ASN A 66 11.771 -0.955 -4.176 1.00 54.41 H new ATOM 0 HD21 ASN A 66 11.027 -4.731 -4.745 1.00 61.00 H new ATOM 0 HD22 ASN A 66 12.344 -3.960 -3.856 1.00 61.00 H new ATOM 903 N ARG A 67 13.122 1.436 -5.355 1.00 71.41 N ATOM 904 CA ARG A 67 13.901 2.533 -4.777 1.00 34.41 C ATOM 905 C ARG A 67 14.122 2.374 -3.266 1.00 73.23 C ATOM 906 O ARG A 67 14.622 3.299 -2.627 1.00 25.11 O ATOM 907 CB ARG A 67 13.267 3.876 -5.174 1.00 51.40 C ATOM 908 CG ARG A 67 13.672 4.250 -6.612 1.00 22.03 C ATOM 909 CD ARG A 67 13.042 5.546 -7.139 1.00 73.33 C ATOM 910 NE ARG A 67 13.025 6.625 -6.136 1.00 11.25 N ATOM 911 CZ ARG A 67 12.114 7.595 -6.012 1.00 74.43 C ATOM 912 NH1 ARG A 67 11.159 7.749 -6.921 1.00 32.42 N ATOM 913 NH2 ARG A 67 12.137 8.401 -4.957 1.00 15.22 N ATOM 0 H ARG A 67 12.143 1.666 -5.523 1.00 71.41 H new ATOM 0 HA ARG A 67 14.908 2.507 -5.194 1.00 34.41 H new ATOM 0 HB2 ARG A 67 12.182 3.810 -5.099 1.00 51.40 H new ATOM 0 HB3 ARG A 67 13.587 4.656 -4.483 1.00 51.40 H new ATOM 0 HG2 ARG A 67 14.757 4.345 -6.656 1.00 22.03 H new ATOM 0 HG3 ARG A 67 13.397 3.432 -7.277 1.00 22.03 H new ATOM 0 HD2 ARG A 67 13.594 5.882 -8.017 1.00 73.33 H new ATOM 0 HD3 ARG A 67 12.021 5.342 -7.463 1.00 73.33 H new ATOM 0 HE ARG A 67 13.792 6.633 -5.463 1.00 11.25 H new ATOM 0 HH11 ARG A 67 11.115 7.123 -7.725 1.00 32.42 H new ATOM 0 HH12 ARG A 67 10.469 8.493 -6.815 1.00 32.42 H new ATOM 0 HH21 ARG A 67 12.851 8.281 -4.239 1.00 15.22 H new ATOM 0 HH22 ARG A 67 11.441 9.140 -4.865 1.00 15.22 H new ATOM 924 N GLY A 68 13.783 1.219 -2.685 1.00 74.23 N ATOM 925 CA GLY A 68 14.100 0.879 -1.299 1.00 74.22 C ATOM 926 C GLY A 68 12.965 1.164 -0.317 1.00 73.00 C ATOM 927 O GLY A 68 13.149 0.971 0.887 1.00 62.31 O ATOM 0 H GLY A 68 13.273 0.484 -3.174 1.00 74.23 H new ATOM 0 HA2 GLY A 68 14.358 -0.179 -1.244 1.00 74.22 H new ATOM 0 HA3 GLY A 68 14.983 1.439 -0.991 1.00 74.22 H new ATOM 931 N PHE A 69 11.793 1.571 -0.814 1.00 24.05 N ATOM 932 CA PHE A 69 10.599 1.884 -0.042 1.00 22.32 C ATOM 933 C PHE A 69 9.362 1.490 -0.851 1.00 73.30 C ATOM 934 O PHE A 69 9.485 1.132 -2.027 1.00 12.32 O ATOM 935 CB PHE A 69 10.601 3.384 0.293 1.00 53.51 C ATOM 936 CG PHE A 69 10.319 4.307 -0.883 1.00 62.24 C ATOM 937 CD1 PHE A 69 11.339 4.653 -1.793 1.00 42.40 C ATOM 938 CD2 PHE A 69 9.022 4.827 -1.057 1.00 72.33 C ATOM 939 CE1 PHE A 69 11.066 5.536 -2.855 1.00 54.54 C ATOM 940 CE2 PHE A 69 8.755 5.731 -2.096 1.00 71.13 C ATOM 941 CZ PHE A 69 9.780 6.089 -2.990 1.00 35.44 C ATOM 0 H PHE A 69 11.650 1.695 -1.816 1.00 24.05 H new ATOM 0 HA PHE A 69 10.585 1.324 0.893 1.00 22.32 H new ATOM 0 HB2 PHE A 69 9.856 3.569 1.067 1.00 53.51 H new ATOM 0 HB3 PHE A 69 11.571 3.645 0.716 1.00 53.51 H new ATOM 0 HD1 PHE A 69 12.330 4.240 -1.675 1.00 42.40 H new ATOM 0 HD2 PHE A 69 8.229 4.528 -0.387 1.00 72.33 H new ATOM 0 HE1 PHE A 69 11.841 5.788 -3.563 1.00 54.54 H new ATOM 0 HE2 PHE A 69 7.766 6.150 -2.209 1.00 71.13 H new ATOM 0 HZ PHE A 69 9.578 6.792 -3.784 1.00 35.44 H new ATOM 950 N ALA A 70 8.175 1.562 -0.243 1.00 64.13 N ATOM 951 CA ALA A 70 6.889 1.426 -0.936 1.00 72.14 C ATOM 952 C ALA A 70 5.838 2.296 -0.225 1.00 64.21 C ATOM 953 O ALA A 70 6.149 2.895 0.799 1.00 43.20 O ATOM 954 CB ALA A 70 6.499 -0.060 -1.024 1.00 2.25 C ATOM 0 H ALA A 70 8.078 1.719 0.760 1.00 64.13 H new ATOM 0 HA ALA A 70 6.959 1.786 -1.963 1.00 72.14 H new ATOM 0 HB1 ALA A 70 5.543 -0.155 -1.539 1.00 2.25 H new ATOM 0 HB2 ALA A 70 7.265 -0.605 -1.576 1.00 2.25 H new ATOM 0 HB3 ALA A 70 6.412 -0.473 -0.019 1.00 2.25 H new ATOM 960 N PHE A 71 4.619 2.389 -0.754 1.00 32.35 N ATOM 961 CA PHE A 71 3.536 3.283 -0.337 1.00 32.44 C ATOM 962 C PHE A 71 2.259 2.457 -0.131 1.00 21.41 C ATOM 963 O PHE A 71 2.117 1.400 -0.754 1.00 74.21 O ATOM 964 CB PHE A 71 3.296 4.318 -1.454 1.00 55.50 C ATOM 965 CG PHE A 71 3.774 5.725 -1.162 1.00 22.22 C ATOM 966 CD1 PHE A 71 3.300 6.386 -0.018 1.00 2.41 C ATOM 967 CD2 PHE A 71 4.602 6.417 -2.066 1.00 74.30 C ATOM 968 CE1 PHE A 71 3.665 7.713 0.245 1.00 11.15 C ATOM 969 CE2 PHE A 71 4.955 7.756 -1.813 1.00 22.45 C ATOM 970 CZ PHE A 71 4.485 8.409 -0.658 1.00 31.44 C ATOM 0 H PHE A 71 4.341 1.801 -1.540 1.00 32.35 H new ATOM 0 HA PHE A 71 3.800 3.789 0.592 1.00 32.44 H new ATOM 0 HB2 PHE A 71 3.790 3.968 -2.360 1.00 55.50 H new ATOM 0 HB3 PHE A 71 2.228 4.354 -1.667 1.00 55.50 H new ATOM 0 HD1 PHE A 71 2.647 5.866 0.667 1.00 2.41 H new ATOM 0 HD2 PHE A 71 4.966 5.921 -2.953 1.00 74.30 H new ATOM 0 HE1 PHE A 71 3.315 8.201 1.143 1.00 11.15 H new ATOM 0 HE2 PHE A 71 5.590 8.285 -2.509 1.00 22.45 H new ATOM 0 HZ PHE A 71 4.753 9.438 -0.468 1.00 31.44 H new ATOM 979 N ILE A 72 1.306 2.943 0.673 1.00 41.43 N ATOM 980 CA ILE A 72 -0.016 2.337 0.807 1.00 35.32 C ATOM 981 C ILE A 72 -1.078 3.422 1.048 1.00 75.11 C ATOM 982 O ILE A 72 -1.004 4.164 2.032 1.00 64.30 O ATOM 983 CB ILE A 72 -0.081 1.291 1.949 1.00 60.13 C ATOM 984 CG1 ILE A 72 1.178 0.437 2.193 1.00 44.51 C ATOM 985 CG2 ILE A 72 -1.286 0.392 1.639 1.00 2.55 C ATOM 986 CD1 ILE A 72 1.045 -0.488 3.413 1.00 43.33 C ATOM 0 H ILE A 72 1.435 3.773 1.251 1.00 41.43 H new ATOM 0 HA ILE A 72 -0.217 1.816 -0.129 1.00 35.32 H new ATOM 0 HB ILE A 72 -0.170 1.847 2.882 1.00 60.13 H new ATOM 0 HG12 ILE A 72 1.380 -0.165 1.307 1.00 44.51 H new ATOM 0 HG13 ILE A 72 2.036 1.095 2.334 1.00 44.51 H new ATOM 0 HG21 ILE A 72 -1.382 -0.368 2.414 1.00 2.55 H new ATOM 0 HG22 ILE A 72 -2.193 0.996 1.609 1.00 2.55 H new ATOM 0 HG23 ILE A 72 -1.140 -0.091 0.673 1.00 2.55 H new ATOM 0 HD11 ILE A 72 1.962 -1.064 3.534 1.00 43.33 H new ATOM 0 HD12 ILE A 72 0.872 0.111 4.307 1.00 43.33 H new ATOM 0 HD13 ILE A 72 0.206 -1.168 3.264 1.00 43.33 H new ATOM 997 N GLN A 73 -2.090 3.474 0.176 1.00 0.41 N ATOM 998 CA GLN A 73 -3.356 4.165 0.409 1.00 12.14 C ATOM 999 C GLN A 73 -4.160 3.379 1.439 1.00 42.04 C ATOM 1000 O GLN A 73 -4.547 2.247 1.144 1.00 51.04 O ATOM 1001 CB GLN A 73 -4.176 4.245 -0.889 1.00 12.35 C ATOM 1002 CG GLN A 73 -3.574 5.225 -1.889 1.00 13.23 C ATOM 1003 CD GLN A 73 -4.446 5.360 -3.135 1.00 43.42 C ATOM 1004 OE1 GLN A 73 -5.114 6.375 -3.320 1.00 73.31 O ATOM 1005 NE2 GLN A 73 -4.467 4.373 -4.016 1.00 52.01 N ATOM 0 H GLN A 73 -2.047 3.022 -0.737 1.00 0.41 H new ATOM 0 HA GLN A 73 -3.147 5.174 0.763 1.00 12.14 H new ATOM 0 HB2 GLN A 73 -4.234 3.255 -1.342 1.00 12.35 H new ATOM 0 HB3 GLN A 73 -5.196 4.548 -0.654 1.00 12.35 H new ATOM 0 HG2 GLN A 73 -3.457 6.201 -1.418 1.00 13.23 H new ATOM 0 HG3 GLN A 73 -2.578 4.888 -2.176 1.00 13.23 H new ATOM 0 HE21 GLN A 73 -3.910 3.534 -3.855 1.00 52.01 H new ATOM 0 HE22 GLN A 73 -5.040 4.451 -4.856 1.00 52.01 H new ATOM 1012 N LEU A 74 -4.418 3.969 2.608 1.00 21.11 N ATOM 1013 CA LEU A 74 -5.289 3.423 3.655 1.00 20.42 C ATOM 1014 C LEU A 74 -6.031 4.570 4.339 1.00 1.41 C ATOM 1015 O LEU A 74 -5.454 5.642 4.518 1.00 63.12 O ATOM 1016 CB LEU A 74 -4.479 2.677 4.728 1.00 31.02 C ATOM 1017 CG LEU A 74 -4.699 1.163 4.847 1.00 31.32 C ATOM 1018 CD1 LEU A 74 -6.106 0.816 5.324 1.00 64.04 C ATOM 1019 CD2 LEU A 74 -4.391 0.398 3.571 1.00 54.10 C ATOM 0 H LEU A 74 -4.014 4.870 2.862 1.00 21.11 H new ATOM 0 HA LEU A 74 -5.982 2.727 3.183 1.00 20.42 H new ATOM 0 HB2 LEU A 74 -3.421 2.850 4.533 1.00 31.02 H new ATOM 0 HB3 LEU A 74 -4.703 3.128 5.695 1.00 31.02 H new ATOM 0 HG LEU A 74 -3.980 0.844 5.602 1.00 31.32 H new ATOM 0 HD11 LEU A 74 -6.211 -0.267 5.392 1.00 64.04 H new ATOM 0 HD12 LEU A 74 -6.277 1.259 6.305 1.00 64.04 H new ATOM 0 HD13 LEU A 74 -6.837 1.208 4.617 1.00 64.04 H new ATOM 0 HD21 LEU A 74 -4.570 -0.665 3.732 1.00 54.10 H new ATOM 0 HD22 LEU A 74 -5.034 0.757 2.768 1.00 54.10 H new ATOM 0 HD23 LEU A 74 -3.348 0.553 3.297 1.00 54.10 H new ATOM 1030 N SER A 75 -7.268 4.328 4.752 1.00 55.12 N ATOM 1031 CA SER A 75 -8.169 5.305 5.353 1.00 40.23 C ATOM 1032 C SER A 75 -7.665 5.856 6.693 1.00 52.21 C ATOM 1033 O SER A 75 -6.788 5.283 7.333 1.00 23.21 O ATOM 1034 CB SER A 75 -9.513 4.592 5.491 1.00 32.55 C ATOM 1035 OG SER A 75 -10.588 5.421 5.893 1.00 52.01 O ATOM 0 H SER A 75 -7.691 3.403 4.674 1.00 55.12 H new ATOM 0 HA SER A 75 -8.245 6.192 4.724 1.00 40.23 H new ATOM 0 HB2 SER A 75 -9.765 4.133 4.535 1.00 32.55 H new ATOM 0 HB3 SER A 75 -9.406 3.783 6.214 1.00 32.55 H new ATOM 0 HG SER A 75 -11.407 4.887 5.955 1.00 52.01 H new ATOM 1040 N THR A 76 -8.276 6.943 7.164 1.00 60.50 N ATOM 1041 CA THR A 76 -7.871 7.743 8.314 1.00 11.31 C ATOM 1042 C THR A 76 -7.553 6.920 9.568 1.00 71.50 C ATOM 1043 O THR A 76 -6.430 6.993 10.081 1.00 60.20 O ATOM 1044 CB THR A 76 -8.941 8.830 8.539 1.00 62.43 C ATOM 1045 OG1 THR A 76 -9.292 9.437 7.302 1.00 34.44 O ATOM 1046 CG2 THR A 76 -8.459 9.942 9.470 1.00 73.40 C ATOM 0 H THR A 76 -9.120 7.309 6.723 1.00 60.50 H new ATOM 0 HA THR A 76 -6.915 8.219 8.095 1.00 11.31 H new ATOM 0 HB THR A 76 -9.794 8.327 8.994 1.00 62.43 H new ATOM 0 HG1 THR A 76 -8.503 9.870 6.915 1.00 34.44 H new ATOM 0 HG21 THR A 76 -9.251 10.681 9.594 1.00 73.40 H new ATOM 0 HG22 THR A 76 -8.202 9.518 10.441 1.00 73.40 H new ATOM 0 HG23 THR A 76 -7.580 10.421 9.040 1.00 73.40 H new ATOM 1054 N ILE A 77 -8.513 6.158 10.094 1.00 64.53 N ATOM 1055 CA ILE A 77 -8.290 5.319 11.269 1.00 0.35 C ATOM 1056 C ILE A 77 -7.615 4.024 10.850 1.00 11.23 C ATOM 1057 O ILE A 77 -6.801 3.490 11.594 1.00 72.32 O ATOM 1058 CB ILE A 77 -9.613 5.053 11.999 1.00 32.31 C ATOM 1059 CG1 ILE A 77 -10.195 6.375 12.521 1.00 0.03 C ATOM 1060 CG2 ILE A 77 -9.478 4.028 13.143 1.00 24.41 C ATOM 1061 CD1 ILE A 77 -9.328 7.203 13.482 1.00 12.55 C ATOM 0 H ILE A 77 -9.460 6.106 9.720 1.00 64.53 H new ATOM 0 HA ILE A 77 -7.632 5.839 11.965 1.00 0.35 H new ATOM 0 HB ILE A 77 -10.296 4.611 11.274 1.00 32.31 H new ATOM 0 HG12 ILE A 77 -10.434 7.000 11.661 1.00 0.03 H new ATOM 0 HG13 ILE A 77 -11.136 6.153 13.024 1.00 0.03 H new ATOM 0 HG21 ILE A 77 -10.448 3.884 13.619 1.00 24.41 H new ATOM 0 HG22 ILE A 77 -9.127 3.078 12.741 1.00 24.41 H new ATOM 0 HG23 ILE A 77 -8.764 4.396 13.879 1.00 24.41 H new ATOM 0 HD11 ILE A 77 -9.864 8.108 13.768 1.00 12.55 H new ATOM 0 HD12 ILE A 77 -9.108 6.614 14.373 1.00 12.55 H new ATOM 0 HD13 ILE A 77 -8.395 7.475 12.988 1.00 12.55 H new ATOM 1072 N GLU A 78 -7.927 3.514 9.666 1.00 34.33 N ATOM 1073 CA GLU A 78 -7.468 2.191 9.248 1.00 74.01 C ATOM 1074 C GLU A 78 -5.958 2.149 9.053 1.00 2.22 C ATOM 1075 O GLU A 78 -5.294 1.165 9.363 1.00 73.33 O ATOM 1076 CB GLU A 78 -8.228 1.741 8.001 1.00 11.54 C ATOM 1077 CG GLU A 78 -9.728 1.776 8.297 1.00 12.23 C ATOM 1078 CD GLU A 78 -10.446 0.542 7.774 1.00 53.44 C ATOM 1079 OE1 GLU A 78 -10.254 -0.550 8.345 1.00 55.52 O ATOM 1080 OE2 GLU A 78 -11.170 0.670 6.757 1.00 32.43 O ATOM 0 H GLU A 78 -8.499 3.997 8.973 1.00 34.33 H new ATOM 0 HA GLU A 78 -7.687 1.483 10.047 1.00 74.01 H new ATOM 0 HB2 GLU A 78 -7.994 2.394 7.160 1.00 11.54 H new ATOM 0 HB3 GLU A 78 -7.923 0.734 7.716 1.00 11.54 H new ATOM 0 HG2 GLU A 78 -9.882 1.855 9.373 1.00 12.23 H new ATOM 0 HG3 GLU A 78 -10.165 2.667 7.846 1.00 12.23 H new ATOM 1085 N ALA A 79 -5.399 3.275 8.636 1.00 75.32 N ATOM 1086 CA ALA A 79 -3.969 3.492 8.558 1.00 35.01 C ATOM 1087 C ALA A 79 -3.369 3.418 9.965 1.00 20.14 C ATOM 1088 O ALA A 79 -2.315 2.812 10.181 1.00 13.52 O ATOM 1089 CB ALA A 79 -3.674 4.839 7.881 1.00 51.53 C ATOM 0 H ALA A 79 -5.945 4.082 8.335 1.00 75.32 H new ATOM 0 HA ALA A 79 -3.507 2.715 7.949 1.00 35.01 H new ATOM 0 HB1 ALA A 79 -2.596 4.991 7.828 1.00 51.53 H new ATOM 0 HB2 ALA A 79 -4.090 4.839 6.874 1.00 51.53 H new ATOM 0 HB3 ALA A 79 -4.126 5.644 8.460 1.00 51.53 H new ATOM 1095 N ALA A 80 -4.052 4.046 10.922 1.00 32.13 N ATOM 1096 CA ALA A 80 -3.604 4.142 12.292 1.00 62.20 C ATOM 1097 C ALA A 80 -3.642 2.784 12.985 1.00 54.53 C ATOM 1098 O ALA A 80 -2.629 2.384 13.557 1.00 61.43 O ATOM 1099 CB ALA A 80 -4.408 5.206 13.047 1.00 33.35 C ATOM 0 H ALA A 80 -4.946 4.507 10.754 1.00 32.13 H new ATOM 0 HA ALA A 80 -2.562 4.460 12.294 1.00 62.20 H new ATOM 0 HB1 ALA A 80 -4.057 5.264 14.077 1.00 33.35 H new ATOM 0 HB2 ALA A 80 -4.275 6.174 12.563 1.00 33.35 H new ATOM 0 HB3 ALA A 80 -5.464 4.938 13.038 1.00 33.35 H new ATOM 1105 N GLN A 81 -4.784 2.092 12.930 1.00 12.42 N ATOM 1106 CA GLN A 81 -4.996 0.799 13.569 1.00 74.13 C ATOM 1107 C GLN A 81 -4.020 -0.233 13.001 1.00 2.41 C ATOM 1108 O GLN A 81 -3.391 -0.963 13.769 1.00 45.40 O ATOM 1109 CB GLN A 81 -6.483 0.376 13.468 1.00 1.24 C ATOM 1110 CG GLN A 81 -6.867 -0.220 12.109 1.00 31.31 C ATOM 1111 CD GLN A 81 -8.350 -0.233 11.722 1.00 1.25 C ATOM 1112 OE1 GLN A 81 -9.197 0.447 12.295 1.00 14.13 O ATOM 1113 NE2 GLN A 81 -8.661 -0.945 10.658 1.00 61.21 N ATOM 0 H GLN A 81 -5.605 2.428 12.426 1.00 12.42 H new ATOM 0 HA GLN A 81 -4.781 0.873 14.635 1.00 74.13 H new ATOM 0 HB2 GLN A 81 -6.697 -0.355 14.248 1.00 1.24 H new ATOM 0 HB3 GLN A 81 -7.112 1.244 13.664 1.00 1.24 H new ATOM 0 HG2 GLN A 81 -6.326 0.329 11.339 1.00 31.31 H new ATOM 0 HG3 GLN A 81 -6.506 -1.248 12.081 1.00 31.31 H new ATOM 0 HE21 GLN A 81 -7.947 -1.505 10.193 1.00 61.21 H new ATOM 0 HE22 GLN A 81 -9.616 -0.936 10.300 1.00 61.21 H new ATOM 1120 N LEU A 82 -3.842 -0.265 11.670 1.00 32.43 N ATOM 1121 CA LEU A 82 -2.982 -1.250 11.037 1.00 70.41 C ATOM 1122 C LEU A 82 -1.566 -1.083 11.550 1.00 25.44 C ATOM 1123 O LEU A 82 -0.900 -2.086 11.781 1.00 24.13 O ATOM 1124 CB LEU A 82 -3.022 -1.133 9.503 1.00 50.51 C ATOM 1125 CG LEU A 82 -4.215 -1.876 8.873 1.00 53.22 C ATOM 1126 CD1 LEU A 82 -4.374 -1.462 7.414 1.00 43.10 C ATOM 1127 CD2 LEU A 82 -4.020 -3.396 8.917 1.00 53.31 C ATOM 0 H LEU A 82 -4.287 0.384 11.021 1.00 32.43 H new ATOM 0 HA LEU A 82 -3.346 -2.245 11.293 1.00 70.41 H new ATOM 0 HB2 LEU A 82 -3.070 -0.080 9.226 1.00 50.51 H new ATOM 0 HB3 LEU A 82 -2.095 -1.530 9.090 1.00 50.51 H new ATOM 0 HG LEU A 82 -5.101 -1.612 9.450 1.00 53.22 H new ATOM 0 HD11 LEU A 82 -5.220 -1.992 6.976 1.00 43.10 H new ATOM 0 HD12 LEU A 82 -4.550 -0.388 7.358 1.00 43.10 H new ATOM 0 HD13 LEU A 82 -3.466 -1.710 6.864 1.00 43.10 H new ATOM 0 HD21 LEU A 82 -4.881 -3.887 8.464 1.00 53.31 H new ATOM 0 HD22 LEU A 82 -3.119 -3.663 8.366 1.00 53.31 H new ATOM 0 HD23 LEU A 82 -3.921 -3.720 9.953 1.00 53.31 H new ATOM 1138 N LEU A 83 -1.109 0.153 11.783 1.00 45.24 N ATOM 1139 CA LEU A 83 0.268 0.399 12.164 1.00 3.23 C ATOM 1140 C LEU A 83 0.642 -0.401 13.417 1.00 21.31 C ATOM 1141 O LEU A 83 1.726 -0.973 13.468 1.00 71.02 O ATOM 1142 CB LEU A 83 0.462 1.895 12.412 1.00 63.20 C ATOM 1143 CG LEU A 83 1.935 2.316 12.315 1.00 42.13 C ATOM 1144 CD1 LEU A 83 2.349 2.442 10.845 1.00 11.53 C ATOM 1145 CD2 LEU A 83 2.110 3.672 12.993 1.00 42.43 C ATOM 0 H LEU A 83 -1.682 0.994 11.712 1.00 45.24 H new ATOM 0 HA LEU A 83 0.922 0.075 11.354 1.00 3.23 H new ATOM 0 HB2 LEU A 83 -0.123 2.460 11.687 1.00 63.20 H new ATOM 0 HB3 LEU A 83 0.078 2.150 13.400 1.00 63.20 H new ATOM 0 HG LEU A 83 2.555 1.564 12.803 1.00 42.13 H new ATOM 0 HD11 LEU A 83 3.396 2.741 10.786 1.00 11.53 H new ATOM 0 HD12 LEU A 83 2.217 1.482 10.346 1.00 11.53 H new ATOM 0 HD13 LEU A 83 1.729 3.193 10.355 1.00 11.53 H new ATOM 0 HD21 LEU A 83 3.154 3.979 12.929 1.00 42.43 H new ATOM 0 HD22 LEU A 83 1.483 4.411 12.495 1.00 42.43 H new ATOM 0 HD23 LEU A 83 1.818 3.595 14.040 1.00 42.43 H new ATOM 1156 N GLN A 84 -0.256 -0.463 14.406 1.00 53.20 N ATOM 1157 CA GLN A 84 -0.013 -1.091 15.707 1.00 50.54 C ATOM 1158 C GLN A 84 -0.017 -2.619 15.598 1.00 33.45 C ATOM 1159 O GLN A 84 0.539 -3.315 16.452 1.00 53.51 O ATOM 1160 CB GLN A 84 -1.073 -0.583 16.709 1.00 51.34 C ATOM 1161 CG GLN A 84 -0.768 0.854 17.170 1.00 32.15 C ATOM 1162 CD GLN A 84 -1.996 1.588 17.715 1.00 43.31 C ATOM 1163 OE1 GLN A 84 -2.600 1.221 18.716 1.00 22.23 O ATOM 1164 NE2 GLN A 84 -2.400 2.678 17.081 1.00 5.25 N ATOM 0 H GLN A 84 -1.193 -0.069 14.321 1.00 53.20 H new ATOM 0 HA GLN A 84 0.978 -0.813 16.067 1.00 50.54 H new ATOM 0 HB2 GLN A 84 -2.059 -0.616 16.246 1.00 51.34 H new ATOM 0 HB3 GLN A 84 -1.105 -1.245 17.574 1.00 51.34 H new ATOM 0 HG2 GLN A 84 0.002 0.825 17.941 1.00 32.15 H new ATOM 0 HG3 GLN A 84 -0.358 1.418 16.332 1.00 32.15 H new ATOM 0 HE21 GLN A 84 -1.907 2.995 16.246 1.00 5.25 H new ATOM 0 HE22 GLN A 84 -3.205 3.201 17.427 1.00 5.25 H new ATOM 1171 N ILE A 85 -0.606 -3.155 14.531 1.00 54.30 N ATOM 1172 CA ILE A 85 -0.557 -4.567 14.190 1.00 10.24 C ATOM 1173 C ILE A 85 0.785 -4.813 13.481 1.00 65.20 C ATOM 1174 O ILE A 85 1.512 -5.753 13.811 1.00 10.42 O ATOM 1175 CB ILE A 85 -1.782 -4.939 13.331 1.00 72.12 C ATOM 1176 CG1 ILE A 85 -3.099 -4.501 14.021 1.00 42.51 C ATOM 1177 CG2 ILE A 85 -1.812 -6.470 13.133 1.00 44.54 C ATOM 1178 CD1 ILE A 85 -4.319 -4.642 13.116 1.00 73.03 C ATOM 0 H ILE A 85 -1.144 -2.601 13.865 1.00 54.30 H new ATOM 0 HA ILE A 85 -0.607 -5.208 15.070 1.00 10.24 H new ATOM 0 HB ILE A 85 -1.700 -4.426 12.373 1.00 72.12 H new ATOM 0 HG12 ILE A 85 -3.249 -5.099 14.920 1.00 42.51 H new ATOM 0 HG13 ILE A 85 -3.008 -3.463 14.341 1.00 42.51 H new ATOM 0 HG21 ILE A 85 -2.676 -6.742 12.526 1.00 44.54 H new ATOM 0 HG22 ILE A 85 -0.900 -6.790 12.629 1.00 44.54 H new ATOM 0 HG23 ILE A 85 -1.882 -6.961 14.104 1.00 44.54 H new ATOM 0 HD11 ILE A 85 -5.211 -4.320 13.654 1.00 73.03 H new ATOM 0 HD12 ILE A 85 -4.187 -4.022 12.229 1.00 73.03 H new ATOM 0 HD13 ILE A 85 -4.432 -5.684 12.817 1.00 73.03 H new ATOM 1189 N LEU A 86 1.146 -3.941 12.529 1.00 13.34 N ATOM 1190 CA LEU A 86 2.336 -4.076 11.692 1.00 43.52 C ATOM 1191 C LEU A 86 3.620 -4.076 12.513 1.00 2.13 C ATOM 1192 O LEU A 86 4.581 -4.735 12.113 1.00 33.04 O ATOM 1193 CB LEU A 86 2.423 -2.955 10.641 1.00 53.50 C ATOM 1194 CG LEU A 86 1.868 -3.364 9.270 1.00 12.15 C ATOM 1195 CD1 LEU A 86 0.342 -3.345 9.245 1.00 50.40 C ATOM 1196 CD2 LEU A 86 2.372 -2.385 8.212 1.00 64.31 C ATOM 0 H LEU A 86 0.602 -3.104 12.318 1.00 13.34 H new ATOM 0 HA LEU A 86 2.237 -5.038 11.189 1.00 43.52 H new ATOM 0 HB2 LEU A 86 1.875 -2.085 11.002 1.00 53.50 H new ATOM 0 HB3 LEU A 86 3.464 -2.652 10.528 1.00 53.50 H new ATOM 0 HG LEU A 86 2.208 -4.379 9.067 1.00 12.15 H new ATOM 0 HD11 LEU A 86 -0.009 -3.641 8.256 1.00 50.40 H new ATOM 0 HD12 LEU A 86 -0.043 -4.041 9.990 1.00 50.40 H new ATOM 0 HD13 LEU A 86 -0.013 -2.339 9.470 1.00 50.40 H new ATOM 0 HD21 LEU A 86 1.981 -2.671 7.236 1.00 64.31 H new ATOM 0 HD22 LEU A 86 2.034 -1.378 8.458 1.00 64.31 H new ATOM 0 HD23 LEU A 86 3.461 -2.406 8.186 1.00 64.31 H new ATOM 1207 N GLN A 87 3.646 -3.362 13.642 1.00 4.13 N ATOM 1208 CA GLN A 87 4.764 -3.325 14.587 1.00 23.23 C ATOM 1209 C GLN A 87 5.141 -4.718 15.118 1.00 64.30 C ATOM 1210 O GLN A 87 6.187 -4.848 15.750 1.00 63.20 O ATOM 1211 CB GLN A 87 4.407 -2.406 15.767 1.00 32.04 C ATOM 1212 CG GLN A 87 4.358 -0.916 15.399 1.00 24.04 C ATOM 1213 CD GLN A 87 5.721 -0.242 15.294 1.00 62.02 C ATOM 1214 OE1 GLN A 87 6.533 -0.288 16.213 1.00 70.03 O ATOM 1215 NE2 GLN A 87 5.989 0.461 14.205 1.00 73.23 N ATOM 0 H GLN A 87 2.864 -2.775 13.932 1.00 4.13 H new ATOM 0 HA GLN A 87 5.630 -2.940 14.048 1.00 23.23 H new ATOM 0 HB2 GLN A 87 3.438 -2.704 16.167 1.00 32.04 H new ATOM 0 HB3 GLN A 87 5.138 -2.550 16.562 1.00 32.04 H new ATOM 0 HG2 GLN A 87 3.840 -0.808 14.446 1.00 24.04 H new ATOM 0 HG3 GLN A 87 3.764 -0.390 16.147 1.00 24.04 H new ATOM 0 HE21 GLN A 87 5.313 0.498 13.442 1.00 73.23 H new ATOM 0 HE22 GLN A 87 6.872 0.966 14.128 1.00 73.23 H new ATOM 1222 N ALA A 88 4.310 -5.743 14.898 1.00 44.54 N ATOM 1223 CA ALA A 88 4.379 -7.020 15.585 1.00 42.53 C ATOM 1224 C ALA A 88 4.279 -8.217 14.629 1.00 30.25 C ATOM 1225 O ALA A 88 3.976 -9.328 15.083 1.00 63.33 O ATOM 1226 CB ALA A 88 3.245 -7.020 16.609 1.00 25.13 C ATOM 0 H ALA A 88 3.553 -5.697 14.216 1.00 44.54 H new ATOM 0 HA ALA A 88 5.349 -7.133 16.068 1.00 42.53 H new ATOM 0 HB1 ALA A 88 3.250 -7.962 17.157 1.00 25.13 H new ATOM 0 HB2 ALA A 88 3.384 -6.194 17.306 1.00 25.13 H new ATOM 0 HB3 ALA A 88 2.291 -6.904 16.095 1.00 25.13 H new ATOM 1232 N LEU A 89 4.487 -8.019 13.324 1.00 32.22 N ATOM 1233 CA LEU A 89 4.447 -9.081 12.314 1.00 3.12 C ATOM 1234 C LEU A 89 5.627 -8.947 11.355 1.00 34.14 C ATOM 1235 O LEU A 89 6.452 -8.039 11.494 1.00 3.34 O ATOM 1236 CB LEU A 89 3.069 -9.122 11.623 1.00 23.24 C ATOM 1237 CG LEU A 89 2.724 -7.948 10.677 1.00 44.11 C ATOM 1238 CD1 LEU A 89 3.099 -8.207 9.219 1.00 11.52 C ATOM 1239 CD2 LEU A 89 1.220 -7.669 10.740 1.00 1.51 C ATOM 0 H LEU A 89 4.692 -7.100 12.933 1.00 32.22 H new ATOM 0 HA LEU A 89 4.562 -10.053 12.793 1.00 3.12 H new ATOM 0 HB2 LEU A 89 3.004 -10.048 11.052 1.00 23.24 H new ATOM 0 HB3 LEU A 89 2.303 -9.170 12.397 1.00 23.24 H new ATOM 0 HG LEU A 89 3.310 -7.096 11.021 1.00 44.11 H new ATOM 0 HD11 LEU A 89 2.828 -7.342 8.614 1.00 11.52 H new ATOM 0 HD12 LEU A 89 4.173 -8.380 9.145 1.00 11.52 H new ATOM 0 HD13 LEU A 89 2.564 -9.085 8.856 1.00 11.52 H new ATOM 0 HD21 LEU A 89 0.975 -6.842 10.074 1.00 1.51 H new ATOM 0 HD22 LEU A 89 0.672 -8.559 10.430 1.00 1.51 H new ATOM 0 HD23 LEU A 89 0.941 -7.408 11.761 1.00 1.51 H new ATOM 1250 N HIS A 90 5.756 -9.885 10.425 1.00 5.54 N ATOM 1251 CA HIS A 90 6.729 -9.884 9.340 1.00 42.42 C ATOM 1252 C HIS A 90 5.991 -10.186 8.034 1.00 4.42 C ATOM 1253 O HIS A 90 4.875 -10.711 8.070 1.00 24.32 O ATOM 1254 CB HIS A 90 7.835 -10.909 9.641 1.00 72.11 C ATOM 1255 CG HIS A 90 7.354 -12.323 9.825 1.00 74.14 C ATOM 1256 ND1 HIS A 90 6.920 -13.178 8.834 1.00 42.12 N ATOM 1257 CD2 HIS A 90 7.231 -12.973 11.023 1.00 23.25 C ATOM 1258 CE1 HIS A 90 6.506 -14.309 9.426 1.00 72.24 C ATOM 1259 NE2 HIS A 90 6.647 -14.216 10.762 1.00 43.54 N ATOM 0 H HIS A 90 5.154 -10.708 10.406 1.00 5.54 H new ATOM 0 HA HIS A 90 7.213 -8.912 9.243 1.00 42.42 H new ATOM 0 HB2 HIS A 90 8.559 -10.890 8.827 1.00 72.11 H new ATOM 0 HB3 HIS A 90 8.362 -10.599 10.544 1.00 72.11 H new ATOM 0 HD1 HIS A 90 6.915 -12.986 7.832 1.00 42.12 H new ATOM 0 HD2 HIS A 90 7.530 -12.596 11.990 1.00 23.25 H new ATOM 0 HE1 HIS A 90 6.115 -15.171 8.905 1.00 72.24 H new ATOM 1266 N PRO A 91 6.573 -9.872 6.869 1.00 10.44 N ATOM 1267 CA PRO A 91 5.981 -10.269 5.601 1.00 13.45 C ATOM 1268 C PRO A 91 6.046 -11.795 5.424 1.00 61.23 C ATOM 1269 O PRO A 91 6.911 -12.438 6.029 1.00 10.13 O ATOM 1270 CB PRO A 91 6.817 -9.544 4.548 1.00 51.41 C ATOM 1271 CG PRO A 91 8.188 -9.478 5.215 1.00 14.25 C ATOM 1272 CD PRO A 91 7.818 -9.149 6.653 1.00 12.12 C ATOM 0 HA PRO A 91 4.925 -10.009 5.530 1.00 13.45 H new ATOM 0 HB2 PRO A 91 6.848 -10.091 3.606 1.00 51.41 H new ATOM 0 HB3 PRO A 91 6.423 -8.552 4.328 1.00 51.41 H new ATOM 0 HG2 PRO A 91 8.727 -10.422 5.137 1.00 14.25 H new ATOM 0 HG3 PRO A 91 8.823 -8.711 4.770 1.00 14.25 H new ATOM 0 HD2 PRO A 91 8.593 -9.471 7.349 1.00 12.12 H new ATOM 0 HD3 PRO A 91 7.687 -8.076 6.796 1.00 12.12 H new ATOM 1277 N PRO A 92 5.234 -12.383 4.528 1.00 34.24 N ATOM 1278 CA PRO A 92 5.411 -13.763 4.077 1.00 61.14 C ATOM 1279 C PRO A 92 6.636 -13.929 3.161 1.00 53.30 C ATOM 1280 O PRO A 92 7.003 -15.058 2.823 1.00 4.53 O ATOM 1281 CB PRO A 92 4.112 -14.098 3.331 1.00 1.32 C ATOM 1282 CG PRO A 92 3.675 -12.750 2.767 1.00 51.21 C ATOM 1283 CD PRO A 92 4.077 -11.784 3.879 1.00 34.12 C ATOM 0 HA PRO A 92 5.597 -14.433 4.916 1.00 61.14 H new ATOM 0 HB2 PRO A 92 4.279 -14.830 2.541 1.00 1.32 H new ATOM 0 HB3 PRO A 92 3.360 -14.517 4.000 1.00 1.32 H new ATOM 0 HG2 PRO A 92 4.178 -12.520 1.828 1.00 51.21 H new ATOM 0 HG3 PRO A 92 2.603 -12.720 2.570 1.00 51.21 H new ATOM 0 HD2 PRO A 92 4.321 -10.802 3.474 1.00 34.12 H new ATOM 0 HD3 PRO A 92 3.261 -11.643 4.588 1.00 34.12 H new ATOM 1288 N LEU A 93 7.248 -12.814 2.749 1.00 31.13 N ATOM 1289 CA LEU A 93 8.241 -12.681 1.698 1.00 50.33 C ATOM 1290 C LEU A 93 9.367 -11.808 2.221 1.00 2.54 C ATOM 1291 O LEU A 93 9.110 -10.688 2.660 1.00 41.12 O ATOM 1292 CB LEU A 93 7.594 -11.967 0.499 1.00 11.54 C ATOM 1293 CG LEU A 93 7.237 -12.908 -0.651 1.00 32.01 C ATOM 1294 CD1 LEU A 93 6.032 -12.361 -1.407 1.00 43.53 C ATOM 1295 CD2 LEU A 93 8.450 -13.059 -1.578 1.00 51.32 C ATOM 0 H LEU A 93 7.039 -11.914 3.182 1.00 31.13 H new ATOM 0 HA LEU A 93 8.616 -13.660 1.400 1.00 50.33 H new ATOM 0 HB2 LEU A 93 6.691 -11.457 0.834 1.00 11.54 H new ATOM 0 HB3 LEU A 93 8.276 -11.200 0.132 1.00 11.54 H new ATOM 0 HG LEU A 93 6.975 -13.891 -0.261 1.00 32.01 H new ATOM 0 HD11 LEU A 93 5.780 -13.034 -2.226 1.00 43.53 H new ATOM 0 HD12 LEU A 93 5.182 -12.281 -0.729 1.00 43.53 H new ATOM 0 HD13 LEU A 93 6.270 -11.376 -1.807 1.00 43.53 H new ATOM 0 HD21 LEU A 93 8.199 -13.730 -2.400 1.00 51.32 H new ATOM 0 HD22 LEU A 93 8.726 -12.083 -1.978 1.00 51.32 H new ATOM 0 HD23 LEU A 93 9.288 -13.471 -1.016 1.00 51.32 H new ATOM 1306 N THR A 94 10.603 -12.255 2.077 1.00 70.40 N ATOM 1307 CA THR A 94 11.816 -11.492 2.324 1.00 43.30 C ATOM 1308 C THR A 94 12.728 -11.742 1.111 1.00 13.13 C ATOM 1309 O THR A 94 12.476 -12.639 0.303 1.00 64.04 O ATOM 1310 CB THR A 94 12.359 -11.896 3.713 1.00 64.13 C ATOM 1311 OG1 THR A 94 11.474 -11.440 4.717 1.00 72.04 O ATOM 1312 CG2 THR A 94 13.727 -11.302 4.034 1.00 50.20 C ATOM 0 H THR A 94 10.798 -13.208 1.769 1.00 70.40 H new ATOM 0 HA THR A 94 11.690 -10.411 2.392 1.00 43.30 H new ATOM 0 HB THR A 94 12.449 -12.982 3.689 1.00 64.13 H new ATOM 0 HG1 THR A 94 11.818 -11.698 5.598 1.00 72.04 H new ATOM 0 HG21 THR A 94 14.043 -11.630 5.025 1.00 50.20 H new ATOM 0 HG22 THR A 94 14.452 -11.637 3.293 1.00 50.20 H new ATOM 0 HG23 THR A 94 13.665 -10.214 4.015 1.00 50.20 H new ATOM 1320 N ILE A 95 13.752 -10.919 0.909 1.00 25.15 N ATOM 1321 CA ILE A 95 14.831 -11.206 -0.023 1.00 3.33 C ATOM 1322 C ILE A 95 16.121 -10.902 0.718 1.00 43.12 C ATOM 1323 O ILE A 95 16.113 -10.041 1.597 1.00 2.55 O ATOM 1324 CB ILE A 95 14.660 -10.392 -1.331 1.00 73.34 C ATOM 1325 CG1 ILE A 95 15.544 -10.917 -2.475 1.00 73.33 C ATOM 1326 CG2 ILE A 95 14.974 -8.895 -1.165 1.00 64.04 C ATOM 1327 CD1 ILE A 95 15.193 -12.343 -2.884 1.00 5.23 C ATOM 0 H ILE A 95 13.855 -10.027 1.393 1.00 25.15 H new ATOM 0 HA ILE A 95 14.834 -12.247 -0.345 1.00 3.33 H new ATOM 0 HB ILE A 95 13.606 -10.518 -1.578 1.00 73.34 H new ATOM 0 HG12 ILE A 95 15.441 -10.260 -3.339 1.00 73.33 H new ATOM 0 HG13 ILE A 95 16.589 -10.878 -2.168 1.00 73.33 H new ATOM 0 HG21 ILE A 95 14.834 -8.386 -2.119 1.00 64.04 H new ATOM 0 HG22 ILE A 95 14.304 -8.463 -0.421 1.00 64.04 H new ATOM 0 HG23 ILE A 95 16.007 -8.774 -0.837 1.00 64.04 H new ATOM 0 HD11 ILE A 95 15.849 -12.661 -3.695 1.00 5.23 H new ATOM 0 HD12 ILE A 95 15.322 -13.009 -2.031 1.00 5.23 H new ATOM 0 HD13 ILE A 95 14.157 -12.381 -3.220 1.00 5.23 H new ATOM 1338 N ASP A 96 17.210 -11.591 0.377 1.00 54.10 N ATOM 1339 CA ASP A 96 18.559 -11.341 0.894 1.00 22.22 C ATOM 1340 C ASP A 96 18.621 -11.286 2.433 1.00 61.00 C ATOM 1341 O ASP A 96 19.497 -10.644 3.022 1.00 71.22 O ATOM 1342 CB ASP A 96 19.152 -10.083 0.234 1.00 10.54 C ATOM 1343 CG ASP A 96 19.297 -10.198 -1.279 1.00 32.03 C ATOM 1344 OD1 ASP A 96 20.064 -11.074 -1.736 1.00 25.31 O ATOM 1345 OD2 ASP A 96 18.675 -9.388 -2.012 1.00 21.35 O ATOM 0 H ASP A 96 17.178 -12.364 -0.288 1.00 54.10 H new ATOM 0 HA ASP A 96 19.179 -12.196 0.622 1.00 22.22 H new ATOM 0 HB2 ASP A 96 18.517 -9.228 0.466 1.00 10.54 H new ATOM 0 HB3 ASP A 96 20.130 -9.881 0.670 1.00 10.54 H new ATOM 1349 N GLY A 97 17.676 -11.947 3.111 1.00 10.23 N ATOM 1350 CA GLY A 97 17.535 -11.900 4.557 1.00 11.55 C ATOM 1351 C GLY A 97 17.331 -10.480 5.092 1.00 13.13 C ATOM 1352 O GLY A 97 17.826 -10.178 6.182 1.00 52.31 O ATOM 0 H GLY A 97 16.980 -12.537 2.656 1.00 10.23 H new ATOM 0 HA2 GLY A 97 16.689 -12.519 4.854 1.00 11.55 H new ATOM 0 HA3 GLY A 97 18.424 -12.332 5.017 1.00 11.55 H new ATOM 1356 N LYS A 98 16.665 -9.600 4.339 1.00 50.14 N ATOM 1357 CA LYS A 98 16.248 -8.259 4.762 1.00 74.01 C ATOM 1358 C LYS A 98 15.069 -8.388 5.731 1.00 43.13 C ATOM 1359 O LYS A 98 14.773 -9.478 6.216 1.00 65.20 O ATOM 1360 CB LYS A 98 15.866 -7.452 3.502 1.00 64.13 C ATOM 1361 CG LYS A 98 17.101 -7.083 2.663 1.00 12.52 C ATOM 1362 CD LYS A 98 17.638 -5.691 3.022 1.00 72.34 C ATOM 1363 CE LYS A 98 16.785 -4.608 2.378 1.00 14.21 C ATOM 1364 NZ LYS A 98 17.467 -3.299 2.327 1.00 33.11 N ATOM 0 H LYS A 98 16.390 -9.810 3.379 1.00 50.14 H new ATOM 0 HA LYS A 98 17.052 -7.737 5.280 1.00 74.01 H new ATOM 0 HB2 LYS A 98 15.174 -8.034 2.893 1.00 64.13 H new ATOM 0 HB3 LYS A 98 15.343 -6.543 3.798 1.00 64.13 H new ATOM 0 HG2 LYS A 98 17.883 -7.826 2.821 1.00 12.52 H new ATOM 0 HG3 LYS A 98 16.843 -7.111 1.604 1.00 12.52 H new ATOM 0 HD2 LYS A 98 17.641 -5.564 4.105 1.00 72.34 H new ATOM 0 HD3 LYS A 98 18.671 -5.596 2.687 1.00 72.34 H new ATOM 0 HE2 LYS A 98 16.520 -4.914 1.366 1.00 14.21 H new ATOM 0 HE3 LYS A 98 15.854 -4.506 2.935 1.00 14.21 H new ATOM 0 HZ1 LYS A 98 16.927 -2.650 1.720 1.00 33.11 H new ATOM 0 HZ2 LYS A 98 17.531 -2.903 3.287 1.00 33.11 H new ATOM 0 HZ3 LYS A 98 18.424 -3.421 1.939 1.00 33.11 H new ATOM 1374 N THR A 99 14.371 -7.293 5.996 1.00 30.23 N ATOM 1375 CA THR A 99 13.001 -7.309 6.482 1.00 3.21 C ATOM 1376 C THR A 99 12.353 -5.996 6.010 1.00 14.31 C ATOM 1377 O THR A 99 12.958 -5.260 5.228 1.00 4.32 O ATOM 1378 CB THR A 99 12.944 -7.571 8.008 1.00 31.33 C ATOM 1379 OG1 THR A 99 14.228 -7.565 8.625 1.00 63.13 O ATOM 1380 CG2 THR A 99 12.265 -8.923 8.277 1.00 70.34 C ATOM 0 H THR A 99 14.748 -6.353 5.877 1.00 30.23 H new ATOM 0 HA THR A 99 12.424 -8.138 6.072 1.00 3.21 H new ATOM 0 HB THR A 99 12.370 -6.753 8.444 1.00 31.33 H new ATOM 0 HG1 THR A 99 14.130 -7.734 9.585 1.00 63.13 H new ATOM 0 HG21 THR A 99 12.227 -9.104 9.351 1.00 70.34 H new ATOM 0 HG22 THR A 99 11.252 -8.908 7.875 1.00 70.34 H new ATOM 0 HG23 THR A 99 12.834 -9.718 7.795 1.00 70.34 H new ATOM 1388 N ILE A 100 11.108 -5.719 6.403 1.00 30.31 N ATOM 1389 CA ILE A 100 10.351 -4.550 5.967 1.00 34.14 C ATOM 1390 C ILE A 100 10.036 -3.783 7.248 1.00 5.34 C ATOM 1391 O ILE A 100 9.437 -4.337 8.176 1.00 50.13 O ATOM 1392 CB ILE A 100 9.075 -4.966 5.208 1.00 73.41 C ATOM 1393 CG1 ILE A 100 9.329 -6.032 4.115 1.00 31.12 C ATOM 1394 CG2 ILE A 100 8.360 -3.731 4.629 1.00 70.31 C ATOM 1395 CD1 ILE A 100 10.174 -5.570 2.926 1.00 13.52 C ATOM 0 H ILE A 100 10.589 -6.316 7.047 1.00 30.31 H new ATOM 0 HA ILE A 100 10.911 -3.932 5.265 1.00 34.14 H new ATOM 0 HB ILE A 100 8.421 -5.441 5.939 1.00 73.41 H new ATOM 0 HG12 ILE A 100 9.820 -6.889 4.576 1.00 31.12 H new ATOM 0 HG13 ILE A 100 8.366 -6.379 3.741 1.00 31.12 H new ATOM 0 HG21 ILE A 100 7.462 -4.046 4.097 1.00 70.31 H new ATOM 0 HG22 ILE A 100 8.084 -3.057 5.440 1.00 70.31 H new ATOM 0 HG23 ILE A 100 9.027 -3.214 3.939 1.00 70.31 H new ATOM 0 HD11 ILE A 100 10.291 -6.393 2.221 1.00 13.52 H new ATOM 0 HD12 ILE A 100 9.679 -4.735 2.430 1.00 13.52 H new ATOM 0 HD13 ILE A 100 11.155 -5.253 3.279 1.00 13.52 H new ATOM 1406 N ASN A 101 10.455 -2.526 7.309 1.00 54.32 N ATOM 1407 CA ASN A 101 10.170 -1.616 8.411 1.00 74.40 C ATOM 1408 C ASN A 101 8.816 -0.956 8.180 1.00 50.41 C ATOM 1409 O ASN A 101 8.394 -0.729 7.044 1.00 50.44 O ATOM 1410 CB ASN A 101 11.254 -0.535 8.536 1.00 41.52 C ATOM 1411 CG ASN A 101 12.318 -0.890 9.559 1.00 73.11 C ATOM 1412 OD1 ASN A 101 12.797 -2.014 9.595 1.00 45.40 O ATOM 1413 ND2 ASN A 101 12.729 0.054 10.384 1.00 14.22 N ATOM 0 H ASN A 101 11.018 -2.099 6.573 1.00 54.32 H new ATOM 0 HA ASN A 101 10.156 -2.190 9.337 1.00 74.40 H new ATOM 0 HB2 ASN A 101 11.725 -0.384 7.565 1.00 41.52 H new ATOM 0 HB3 ASN A 101 10.789 0.410 8.815 1.00 41.52 H new ATOM 0 HD21 ASN A 101 13.459 -0.148 11.067 1.00 14.22 H new ATOM 0 HD22 ASN A 101 12.317 0.986 10.338 1.00 14.22 H new ATOM 1419 N VAL A 102 8.180 -0.599 9.287 1.00 3.51 N ATOM 1420 CA VAL A 102 6.891 0.065 9.387 1.00 70.24 C ATOM 1421 C VAL A 102 7.162 1.577 9.423 1.00 52.43 C ATOM 1422 O VAL A 102 8.270 1.979 9.793 1.00 10.13 O ATOM 1423 CB VAL A 102 6.217 -0.451 10.684 1.00 65.30 C ATOM 1424 CG1 VAL A 102 4.771 0.029 10.826 1.00 14.51 C ATOM 1425 CG2 VAL A 102 6.217 -1.988 10.784 1.00 4.13 C ATOM 0 H VAL A 102 8.583 -0.780 10.206 1.00 3.51 H new ATOM 0 HA VAL A 102 6.225 -0.141 8.549 1.00 70.24 H new ATOM 0 HB VAL A 102 6.822 -0.034 11.489 1.00 65.30 H new ATOM 0 HG11 VAL A 102 4.347 -0.361 11.751 1.00 14.51 H new ATOM 0 HG12 VAL A 102 4.750 1.119 10.849 1.00 14.51 H new ATOM 0 HG13 VAL A 102 4.184 -0.328 9.979 1.00 14.51 H new ATOM 0 HG21 VAL A 102 5.733 -2.292 11.712 1.00 4.13 H new ATOM 0 HG22 VAL A 102 5.675 -2.408 9.937 1.00 4.13 H new ATOM 0 HG23 VAL A 102 7.244 -2.353 10.774 1.00 4.13 H new ATOM 1435 N GLU A 103 6.184 2.414 9.056 1.00 14.54 N ATOM 1436 CA GLU A 103 6.185 3.872 9.215 1.00 31.04 C ATOM 1437 C GLU A 103 4.781 4.398 8.853 1.00 21.01 C ATOM 1438 O GLU A 103 3.960 3.630 8.344 1.00 62.03 O ATOM 1439 CB GLU A 103 7.231 4.477 8.267 1.00 64.23 C ATOM 1440 CG GLU A 103 7.802 5.840 8.672 1.00 54.25 C ATOM 1441 CD GLU A 103 8.770 5.799 9.867 1.00 25.04 C ATOM 1442 OE1 GLU A 103 8.445 5.196 10.918 1.00 25.11 O ATOM 1443 OE2 GLU A 103 9.888 6.358 9.729 1.00 24.21 O ATOM 0 H GLU A 103 5.328 2.075 8.618 1.00 14.54 H new ATOM 0 HA GLU A 103 6.430 4.149 10.240 1.00 31.04 H new ATOM 0 HB2 GLU A 103 8.058 3.773 8.175 1.00 64.23 H new ATOM 0 HB3 GLU A 103 6.782 4.573 7.278 1.00 64.23 H new ATOM 0 HG2 GLU A 103 8.321 6.271 7.816 1.00 54.25 H new ATOM 0 HG3 GLU A 103 6.975 6.508 8.913 1.00 54.25 H new ATOM 1448 N PHE A 104 4.483 5.687 9.063 1.00 10.23 N ATOM 1449 CA PHE A 104 3.222 6.303 8.662 1.00 24.32 C ATOM 1450 C PHE A 104 3.523 7.691 8.089 1.00 12.54 C ATOM 1451 O PHE A 104 3.669 8.665 8.828 1.00 23.30 O ATOM 1452 CB PHE A 104 2.250 6.307 9.854 1.00 14.11 C ATOM 1453 CG PHE A 104 0.778 6.613 9.592 1.00 3.54 C ATOM 1454 CD1 PHE A 104 0.367 7.372 8.485 1.00 22.02 C ATOM 1455 CD2 PHE A 104 -0.205 6.157 10.494 1.00 65.30 C ATOM 1456 CE1 PHE A 104 -0.981 7.697 8.293 1.00 11.12 C ATOM 1457 CE2 PHE A 104 -1.557 6.501 10.309 1.00 71.31 C ATOM 1458 CZ PHE A 104 -1.948 7.282 9.215 1.00 71.13 C ATOM 0 H PHE A 104 5.123 6.335 9.522 1.00 10.23 H new ATOM 0 HA PHE A 104 2.723 5.736 7.876 1.00 24.32 H new ATOM 0 HB2 PHE A 104 2.305 5.328 10.330 1.00 14.11 H new ATOM 0 HB3 PHE A 104 2.616 7.035 10.578 1.00 14.11 H new ATOM 0 HD1 PHE A 104 1.102 7.711 7.770 1.00 22.02 H new ATOM 0 HD2 PHE A 104 0.081 5.540 11.333 1.00 65.30 H new ATOM 0 HE1 PHE A 104 -1.276 8.272 7.428 1.00 11.12 H new ATOM 0 HE2 PHE A 104 -2.298 6.160 11.016 1.00 71.31 H new ATOM 0 HZ PHE A 104 -2.983 7.561 9.084 1.00 71.13 H new ATOM 1467 N ALA A 105 3.573 7.787 6.757 1.00 55.50 N ATOM 1468 CA ALA A 105 3.765 9.014 5.975 1.00 33.03 C ATOM 1469 C ALA A 105 2.537 9.946 5.994 1.00 13.32 C ATOM 1470 O ALA A 105 2.057 10.391 4.949 1.00 35.13 O ATOM 1471 CB ALA A 105 4.148 8.639 4.538 1.00 4.11 C ATOM 0 H ALA A 105 3.475 6.965 6.161 1.00 55.50 H new ATOM 0 HA ALA A 105 4.571 9.580 6.441 1.00 33.03 H new ATOM 0 HB1 ALA A 105 4.292 9.546 3.951 1.00 4.11 H new ATOM 0 HB2 ALA A 105 5.073 8.062 4.547 1.00 4.11 H new ATOM 0 HB3 ALA A 105 3.352 8.042 4.093 1.00 4.11 H new ATOM 1477 N LYS A 106 1.991 10.224 7.175 1.00 22.03 N ATOM 1478 CA LYS A 106 0.866 11.119 7.375 1.00 13.40 C ATOM 1479 C LYS A 106 1.277 12.558 7.069 1.00 44.51 C ATOM 1480 O LYS A 106 2.422 12.944 7.323 1.00 32.42 O ATOM 1481 CB LYS A 106 0.395 10.956 8.810 1.00 40.23 C ATOM 1482 CG LYS A 106 -1.109 11.204 8.899 1.00 1.33 C ATOM 1483 CD LYS A 106 -1.565 11.027 10.341 1.00 32.22 C ATOM 1484 CE LYS A 106 -2.972 10.438 10.523 1.00 43.41 C ATOM 1485 NZ LYS A 106 -4.092 11.338 10.182 1.00 41.34 N ATOM 0 H LYS A 106 2.334 9.817 8.045 1.00 22.03 H new ATOM 0 HA LYS A 106 0.047 10.876 6.698 1.00 13.40 H new ATOM 0 HB2 LYS A 106 0.628 9.952 9.166 1.00 40.23 H new ATOM 0 HB3 LYS A 106 0.926 11.655 9.457 1.00 40.23 H new ATOM 0 HG2 LYS A 106 -1.344 12.210 8.552 1.00 1.33 H new ATOM 0 HG3 LYS A 106 -1.642 10.510 8.249 1.00 1.33 H new ATOM 0 HD2 LYS A 106 -0.851 10.382 10.853 1.00 32.22 H new ATOM 0 HD3 LYS A 106 -1.530 11.997 10.836 1.00 32.22 H new ATOM 0 HE2 LYS A 106 -3.052 9.540 9.910 1.00 43.41 H new ATOM 0 HE3 LYS A 106 -3.084 10.126 11.561 1.00 43.41 H new ATOM 0 HZ1 LYS A 106 -4.994 10.845 10.340 1.00 41.34 H new ATOM 0 HZ2 LYS A 106 -4.051 12.186 10.783 1.00 41.34 H new ATOM 0 HZ3 LYS A 106 -4.021 11.618 9.183 1.00 41.34 H new