USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 592 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 29 HIS : no HE2:sc= -1.32 K(o=-1.7,f=-2.3) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= -0.379 USER MOD Set 1.3: A 64 GLN : amide:sc= 0 X(o=-1.7,f=-2) USER MOD Single : A 32 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.11) USER MOD Single : A 35 HIS : no HD1:sc= -0.0666 X(o=-0.067,f=-0.24) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -5:sc= 0.164 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -0.155 (180deg=-0.435) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= -0.792 (180deg=-2.11!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.017) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0218 USER MOD Single : A 59 MET CE :methyl -178:sc= -1.89 (180deg=-2.1!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -144:sc= 1.32 USER MOD Single : A 69 MET CE :methyl 168:sc= -5.71! (180deg=-6.28!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 76 MET CE :methyl -117:sc= -1.63 (180deg=-3.7!) USER MOD Single : A 78 MET CE :methyl 149:sc= -4.68! (180deg=-8.04!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 82 CYS SG : rot -26:sc= -1.36 USER MOD Single : A 84 LYS NZ :NH3+ -151:sc= 0.0138 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -111:sc= 0.931 (180deg=-0.0219) USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.683 USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -9.245 8.850 -8.812 1.00 0.00 N ATOM 356 CA GLY A 25 -7.878 8.521 -8.450 1.00 0.00 C ATOM 357 C GLY A 25 -7.765 7.161 -7.793 1.00 0.00 C ATOM 358 O GLY A 25 -8.451 6.878 -6.812 1.00 0.00 O ATOM 0 HA2 GLY A 25 -7.253 8.543 -9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.492 9.282 -7.772 1.00 0.00 H new ATOM 362 N ARG A 26 -6.897 6.313 -8.338 1.00 0.00 N ATOM 363 CA ARG A 26 -6.698 4.972 -7.801 1.00 0.00 C ATOM 364 C ARG A 26 -5.261 4.787 -7.322 1.00 0.00 C ATOM 365 O ARG A 26 -4.346 4.611 -8.127 1.00 0.00 O ATOM 366 CB ARG A 26 -7.035 3.920 -8.858 1.00 0.00 C ATOM 367 CG ARG A 26 -6.407 4.198 -10.214 1.00 0.00 C ATOM 368 CD ARG A 26 -7.416 4.793 -11.184 1.00 0.00 C ATOM 369 NE ARG A 26 -6.950 6.056 -11.751 1.00 0.00 N ATOM 370 CZ ARG A 26 -5.926 6.150 -12.592 1.00 0.00 C ATOM 371 NH1 ARG A 26 -5.264 5.061 -12.961 1.00 0.00 N ATOM 372 NH2 ARG A 26 -5.562 7.335 -13.066 1.00 0.00 N ATOM 0 H ARG A 26 -6.321 6.531 -9.151 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.366 4.846 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.702 2.944 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.118 3.866 -8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.568 4.884 -10.094 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.006 3.272 -10.627 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.608 4.083 -11.989 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.363 4.954 -10.669 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.437 6.912 -11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.541 4.149 -12.599 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.478 5.136 -13.607 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.069 8.174 -12.785 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.776 7.406 -13.712 1.00 0.00 H new ATOM 386 N VAL A 27 -5.070 4.826 -6.007 1.00 0.00 N ATOM 387 CA VAL A 27 -3.745 4.661 -5.422 1.00 0.00 C ATOM 388 C VAL A 27 -3.786 3.712 -4.229 1.00 0.00 C ATOM 389 O VAL A 27 -4.428 3.998 -3.218 1.00 0.00 O ATOM 390 CB VAL A 27 -3.159 6.012 -4.970 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.838 5.804 -4.245 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.982 6.941 -6.162 1.00 0.00 C ATOM 0 H VAL A 27 -5.816 4.970 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.106 4.238 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.858 6.478 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.438 6.769 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.999 5.177 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.129 5.317 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.567 7.891 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.303 6.484 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.949 7.115 -6.635 1.00 0.00 H new ATOM 402 N ILE A 28 -3.097 2.584 -4.354 1.00 0.00 N ATOM 403 CA ILE A 28 -3.052 1.594 -3.285 1.00 0.00 C ATOM 404 C ILE A 28 -1.960 1.924 -2.273 1.00 0.00 C ATOM 405 O ILE A 28 -0.771 1.772 -2.555 1.00 0.00 O ATOM 406 CB ILE A 28 -2.810 0.177 -3.839 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.993 -0.265 -4.703 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.583 -0.806 -2.700 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.207 -0.677 -3.901 1.00 0.00 C ATOM 0 H ILE A 28 -2.562 2.332 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.023 1.622 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.915 0.194 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.269 0.551 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.682 -1.100 -5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.414 -1.803 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.712 -0.498 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.461 -0.823 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.006 -0.978 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.948 -1.513 -3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.544 0.163 -3.293 1.00 0.00 H new ATOM 421 N HIS A 29 -2.372 2.377 -1.094 1.00 0.00 N ATOM 422 CA HIS A 29 -1.429 2.727 -0.037 1.00 0.00 C ATOM 423 C HIS A 29 -1.080 1.506 0.807 1.00 0.00 C ATOM 424 O HIS A 29 -1.960 0.739 1.201 1.00 0.00 O ATOM 425 CB HIS A 29 -2.011 3.828 0.850 1.00 0.00 C ATOM 426 CG HIS A 29 -1.055 4.328 1.889 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.464 4.909 3.071 1.00 0.00 N ATOM 428 CD2 HIS A 29 0.299 4.328 1.920 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.403 5.247 3.782 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.678 4.906 3.106 1.00 0.00 N ATOM 0 H HIS A 29 -3.352 2.511 -0.846 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.516 3.094 -0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.322 4.663 0.222 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.906 3.450 1.344 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.434 5.055 3.352 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.958 3.945 1.155 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.418 5.722 4.752 1.00 0.00 H new ATOM 438 N LEU A 30 0.207 1.331 1.083 1.00 0.00 N ATOM 439 CA LEU A 30 0.672 0.202 1.881 1.00 0.00 C ATOM 440 C LEU A 30 1.478 0.681 3.086 1.00 0.00 C ATOM 441 O LEU A 30 2.619 1.121 2.946 1.00 0.00 O ATOM 442 CB LEU A 30 1.523 -0.737 1.026 1.00 0.00 C ATOM 443 CG LEU A 30 0.811 -1.401 -0.154 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.820 -1.878 -1.186 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.052 -2.558 0.327 1.00 0.00 C ATOM 0 H LEU A 30 0.948 1.957 0.766 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.202 -0.339 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.374 -0.175 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.923 -1.520 1.670 1.00 0.00 H new ATOM 0 HG LEU A 30 0.163 -0.662 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.295 -2.348 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.395 -1.028 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.495 -2.601 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.551 -3.019 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.576 -3.298 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.800 -2.187 1.028 1.00 0.00 H new ATOM 457 N SER A 31 0.876 0.591 4.268 1.00 0.00 N ATOM 458 CA SER A 31 1.536 1.017 5.495 1.00 0.00 C ATOM 459 C SER A 31 1.977 -0.189 6.321 1.00 0.00 C ATOM 460 O SER A 31 1.367 -1.254 6.258 1.00 0.00 O ATOM 461 CB SER A 31 0.601 1.900 6.322 1.00 0.00 C ATOM 462 OG SER A 31 0.125 2.995 5.558 1.00 0.00 O ATOM 0 H SER A 31 -0.067 0.227 4.401 1.00 0.00 H new ATOM 0 HA SER A 31 2.420 1.593 5.222 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.242 1.308 6.679 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.128 2.268 7.202 1.00 0.00 H new ATOM 0 HG SER A 31 -0.471 3.544 6.109 1.00 0.00 H new ATOM 468 N ASN A 32 3.043 -0.009 7.095 1.00 0.00 N ATOM 469 CA ASN A 32 3.567 -1.081 7.934 1.00 0.00 C ATOM 470 C ASN A 32 4.260 -2.144 7.086 1.00 0.00 C ATOM 471 O ASN A 32 4.054 -3.343 7.284 1.00 0.00 O ATOM 472 CB ASN A 32 2.440 -1.717 8.749 1.00 0.00 C ATOM 473 CG ASN A 32 2.955 -2.457 9.968 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.139 -1.869 11.033 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.188 -3.757 9.816 1.00 0.00 N ATOM 0 H ASN A 32 3.560 0.868 7.158 1.00 0.00 H new ATOM 0 HA ASN A 32 4.300 -0.650 8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.742 -0.942 9.066 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.883 -2.408 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.534 -4.308 10.601 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.021 -4.203 8.914 1.00 0.00 H new ATOM 482 N LEU A 33 5.083 -1.698 6.144 1.00 0.00 N ATOM 483 CA LEU A 33 5.808 -2.611 5.266 1.00 0.00 C ATOM 484 C LEU A 33 7.075 -3.123 5.941 1.00 0.00 C ATOM 485 O LEU A 33 7.630 -2.490 6.840 1.00 0.00 O ATOM 486 CB LEU A 33 6.163 -1.912 3.953 1.00 0.00 C ATOM 487 CG LEU A 33 5.005 -1.682 2.980 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.396 -0.670 1.915 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.577 -2.995 2.341 1.00 0.00 C ATOM 0 H LEU A 33 5.265 -0.710 5.968 1.00 0.00 H new ATOM 0 HA LEU A 33 5.162 -3.463 5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.611 -0.946 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.926 -2.502 3.445 1.00 0.00 H new ATOM 0 HG LEU A 33 4.159 -1.281 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.560 -0.519 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.652 0.277 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.257 -1.041 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.752 -2.813 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.417 -3.425 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.254 -3.689 3.117 1.00 0.00 H new ATOM 501 N PRO A 34 7.549 -4.298 5.499 1.00 0.00 N ATOM 502 CA PRO A 34 8.758 -4.921 6.045 1.00 0.00 C ATOM 503 C PRO A 34 10.024 -4.157 5.668 1.00 0.00 C ATOM 504 O PRO A 34 9.961 -3.004 5.242 1.00 0.00 O ATOM 505 CB PRO A 34 8.761 -6.311 5.404 1.00 0.00 C ATOM 506 CG PRO A 34 7.985 -6.148 4.143 1.00 0.00 C ATOM 507 CD PRO A 34 6.939 -5.108 4.431 1.00 0.00 C ATOM 0 HA PRO A 34 8.751 -4.940 7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.777 -6.652 5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.301 -7.050 6.059 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.632 -5.834 3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.526 -7.090 3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.716 -4.508 3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.001 -5.560 4.755 1.00 0.00 H new ATOM 515 N HIS A 35 11.172 -4.809 5.827 1.00 0.00 N ATOM 516 CA HIS A 35 12.452 -4.192 5.501 1.00 0.00 C ATOM 517 C HIS A 35 13.575 -5.225 5.527 1.00 0.00 C ATOM 518 O HIS A 35 14.604 -5.020 6.172 1.00 0.00 O ATOM 519 CB HIS A 35 12.761 -3.061 6.483 1.00 0.00 C ATOM 520 CG HIS A 35 12.443 -3.401 7.907 1.00 0.00 C ATOM 521 ND1 HIS A 35 11.644 -2.612 8.709 1.00 0.00 N ATOM 522 CD2 HIS A 35 12.819 -4.451 8.672 1.00 0.00 C ATOM 523 CE1 HIS A 35 11.545 -3.163 9.905 1.00 0.00 C ATOM 524 NE2 HIS A 35 12.249 -4.281 9.909 1.00 0.00 N ATOM 0 H HIS A 35 11.241 -5.764 6.179 1.00 0.00 H new ATOM 0 HA HIS A 35 12.384 -3.781 4.494 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.817 -2.803 6.407 1.00 0.00 H new ATOM 0 HB3 HIS A 35 12.195 -2.175 6.194 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.451 -5.272 8.366 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.984 -2.767 10.738 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.352 -4.914 10.702 1.00 0.00 H new ATOM 532 N SER A 36 13.369 -6.332 4.823 1.00 0.00 N ATOM 533 CA SER A 36 14.363 -7.399 4.769 1.00 0.00 C ATOM 534 C SER A 36 15.144 -7.348 3.460 1.00 0.00 C ATOM 535 O SER A 36 15.595 -8.374 2.953 1.00 0.00 O ATOM 536 CB SER A 36 13.686 -8.763 4.920 1.00 0.00 C ATOM 537 OG SER A 36 13.901 -9.300 6.213 1.00 0.00 O ATOM 0 H SER A 36 12.524 -6.515 4.282 1.00 0.00 H new ATOM 0 HA SER A 36 15.061 -7.254 5.594 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.616 -8.663 4.738 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.075 -9.450 4.168 1.00 0.00 H new ATOM 0 HG SER A 36 13.457 -10.171 6.284 1.00 0.00 H new ATOM 543 N GLY A 37 15.298 -6.144 2.917 1.00 0.00 N ATOM 544 CA GLY A 37 16.024 -5.980 1.671 1.00 0.00 C ATOM 545 C GLY A 37 15.296 -6.589 0.490 1.00 0.00 C ATOM 546 O GLY A 37 15.909 -7.226 -0.366 1.00 0.00 O ATOM 0 H GLY A 37 14.933 -5.280 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.186 -4.918 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.008 -6.441 1.764 1.00 0.00 H new ATOM 550 N TYR A 38 13.982 -6.394 0.444 1.00 0.00 N ATOM 551 CA TYR A 38 13.167 -6.933 -0.639 1.00 0.00 C ATOM 552 C TYR A 38 13.083 -5.946 -1.800 1.00 0.00 C ATOM 553 O TYR A 38 13.368 -4.758 -1.642 1.00 0.00 O ATOM 554 CB TYR A 38 11.763 -7.262 -0.133 1.00 0.00 C ATOM 555 CG TYR A 38 11.054 -6.085 0.498 1.00 0.00 C ATOM 556 CD1 TYR A 38 11.246 -5.769 1.837 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.193 -5.288 -0.246 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.601 -4.694 2.417 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.544 -4.211 0.326 1.00 0.00 C ATOM 560 CZ TYR A 38 9.751 -3.917 1.657 1.00 0.00 C ATOM 561 OH TYR A 38 9.107 -2.846 2.231 1.00 0.00 O ATOM 0 H TYR A 38 13.459 -5.867 1.144 1.00 0.00 H new ATOM 0 HA TYR A 38 13.641 -7.847 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.164 -7.633 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.829 -8.069 0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.911 -6.374 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.028 -5.514 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.761 -4.463 3.460 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.877 -3.602 -0.267 1.00 0.00 H new ATOM 0 HH TYR A 38 9.298 -2.826 3.192 1.00 0.00 H new ATOM 571 N SER A 39 12.690 -6.447 -2.966 1.00 0.00 N ATOM 572 CA SER A 39 12.571 -5.612 -4.156 1.00 0.00 C ATOM 573 C SER A 39 11.140 -5.112 -4.327 1.00 0.00 C ATOM 574 O SER A 39 10.181 -5.829 -4.039 1.00 0.00 O ATOM 575 CB SER A 39 13.002 -6.394 -5.399 1.00 0.00 C ATOM 576 OG SER A 39 14.253 -5.931 -5.882 1.00 0.00 O ATOM 0 H SER A 39 12.448 -7.427 -3.113 1.00 0.00 H new ATOM 0 HA SER A 39 13.227 -4.750 -4.032 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.071 -7.455 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.247 -6.291 -6.178 1.00 0.00 H new ATOM 0 HG SER A 39 14.509 -6.447 -6.675 1.00 0.00 H new ATOM 582 N ASP A 40 11.003 -3.878 -4.798 1.00 0.00 N ATOM 583 CA ASP A 40 9.690 -3.280 -5.010 1.00 0.00 C ATOM 584 C ASP A 40 8.697 -4.318 -5.525 1.00 0.00 C ATOM 585 O ASP A 40 7.534 -4.332 -5.124 1.00 0.00 O ATOM 586 CB ASP A 40 9.788 -2.116 -5.998 1.00 0.00 C ATOM 587 CG ASP A 40 10.448 -2.519 -7.302 1.00 0.00 C ATOM 588 OD1 ASP A 40 9.730 -2.987 -8.211 1.00 0.00 O ATOM 589 OD2 ASP A 40 11.682 -2.363 -7.415 1.00 0.00 O ATOM 0 H ASP A 40 11.786 -3.271 -5.041 1.00 0.00 H new ATOM 0 HA ASP A 40 9.331 -2.903 -4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.789 -1.732 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.355 -1.303 -5.543 1.00 0.00 H new ATOM 594 N SER A 41 9.166 -5.186 -6.417 1.00 0.00 N ATOM 595 CA SER A 41 8.319 -6.224 -6.991 1.00 0.00 C ATOM 596 C SER A 41 7.496 -6.915 -5.908 1.00 0.00 C ATOM 597 O SER A 41 6.274 -7.015 -6.010 1.00 0.00 O ATOM 598 CB SER A 41 9.171 -7.254 -7.734 1.00 0.00 C ATOM 599 OG SER A 41 8.888 -7.245 -9.123 1.00 0.00 O ATOM 0 H SER A 41 10.128 -5.190 -6.757 1.00 0.00 H new ATOM 0 HA SER A 41 7.635 -5.751 -7.696 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.228 -7.040 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.982 -8.248 -7.328 1.00 0.00 H new ATOM 0 HG SER A 41 9.447 -7.911 -9.575 1.00 0.00 H new ATOM 605 N ALA A 42 8.176 -7.390 -4.869 1.00 0.00 N ATOM 606 CA ALA A 42 7.510 -8.069 -3.765 1.00 0.00 C ATOM 607 C ALA A 42 6.307 -7.269 -3.274 1.00 0.00 C ATOM 608 O ALA A 42 5.309 -7.838 -2.833 1.00 0.00 O ATOM 609 CB ALA A 42 8.488 -8.307 -2.624 1.00 0.00 C ATOM 0 H ALA A 42 9.188 -7.317 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 42 7.150 -9.032 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.977 -8.815 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.314 -8.926 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.875 -7.351 -2.271 1.00 0.00 H new ATOM 615 N VAL A 43 6.410 -5.946 -3.353 1.00 0.00 N ATOM 616 CA VAL A 43 5.330 -5.068 -2.917 1.00 0.00 C ATOM 617 C VAL A 43 4.255 -4.945 -3.991 1.00 0.00 C ATOM 618 O VAL A 43 3.106 -4.611 -3.698 1.00 0.00 O ATOM 619 CB VAL A 43 5.856 -3.663 -2.570 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.712 -2.661 -2.522 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.608 -3.688 -1.248 1.00 0.00 C ATOM 0 H VAL A 43 7.230 -5.459 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 43 4.897 -5.517 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 43 6.549 -3.350 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.103 -1.674 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.220 -2.624 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.992 -2.966 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.973 -2.687 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.939 -4.021 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.452 -4.374 -1.322 1.00 0.00 H new ATOM 631 N LEU A 44 4.634 -5.218 -5.234 1.00 0.00 N ATOM 632 CA LEU A 44 3.701 -5.139 -6.353 1.00 0.00 C ATOM 633 C LEU A 44 3.037 -6.489 -6.605 1.00 0.00 C ATOM 634 O LEU A 44 2.023 -6.575 -7.299 1.00 0.00 O ATOM 635 CB LEU A 44 4.428 -4.672 -7.616 1.00 0.00 C ATOM 636 CG LEU A 44 5.380 -3.488 -7.443 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.189 -3.265 -8.711 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.606 -2.230 -7.073 1.00 0.00 C ATOM 0 H LEU A 44 5.581 -5.496 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 44 2.926 -4.416 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.995 -5.513 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.681 -4.406 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 44 6.070 -3.717 -6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.861 -2.419 -8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.773 -4.159 -8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.514 -3.058 -9.541 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.300 -1.398 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.892 -1.997 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.072 -2.394 -6.137 1.00 0.00 H new ATOM 650 N LYS A 45 3.614 -7.542 -6.036 1.00 0.00 N ATOM 651 CA LYS A 45 3.078 -8.888 -6.195 1.00 0.00 C ATOM 652 C LYS A 45 1.651 -8.972 -5.661 1.00 0.00 C ATOM 653 O LYS A 45 0.883 -9.852 -6.049 1.00 0.00 O ATOM 654 CB LYS A 45 3.965 -9.902 -5.469 1.00 0.00 C ATOM 655 CG LYS A 45 4.871 -10.691 -6.399 1.00 0.00 C ATOM 656 CD LYS A 45 6.145 -9.927 -6.718 1.00 0.00 C ATOM 657 CE LYS A 45 7.341 -10.859 -6.837 1.00 0.00 C ATOM 658 NZ LYS A 45 8.058 -11.009 -5.541 1.00 0.00 N ATOM 0 H LYS A 45 4.454 -7.489 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 45 3.064 -9.123 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.578 -9.377 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.332 -10.596 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.124 -11.646 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.339 -10.915 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.017 -9.378 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.333 -9.190 -5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.006 -11.837 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.028 -10.473 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.721 -11.808 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.585 -10.137 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.370 -11.188 -4.782 1.00 0.00 H new ATOM 672 N LEU A 46 1.303 -8.050 -4.770 1.00 0.00 N ATOM 673 CA LEU A 46 -0.032 -8.019 -4.184 1.00 0.00 C ATOM 674 C LEU A 46 -0.990 -7.211 -5.054 1.00 0.00 C ATOM 675 O LEU A 46 -2.167 -7.061 -4.724 1.00 0.00 O ATOM 676 CB LEU A 46 0.021 -7.423 -2.776 1.00 0.00 C ATOM 677 CG LEU A 46 1.154 -6.431 -2.510 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.809 -5.529 -1.334 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.460 -7.169 -2.252 1.00 0.00 C ATOM 0 H LEU A 46 1.927 -7.314 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.400 -9.043 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.927 -6.923 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.105 -8.240 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 46 1.280 -5.808 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.627 -4.830 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.102 -4.974 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.655 -6.137 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.255 -6.447 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.346 -7.817 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.715 -7.772 -3.123 1.00 0.00 H new ATOM 691 N ALA A 47 -0.479 -6.695 -6.166 1.00 0.00 N ATOM 692 CA ALA A 47 -1.289 -5.907 -7.086 1.00 0.00 C ATOM 693 C ALA A 47 -1.230 -6.479 -8.499 1.00 0.00 C ATOM 694 O ALA A 47 -2.042 -6.128 -9.354 1.00 0.00 O ATOM 695 CB ALA A 47 -0.832 -4.456 -7.082 1.00 0.00 C ATOM 0 H ALA A 47 0.493 -6.809 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.324 -5.951 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.446 -3.879 -7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.934 -4.045 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.212 -4.402 -7.392 1.00 0.00 H new ATOM 701 N GLU A 48 -0.262 -7.359 -8.736 1.00 0.00 N ATOM 702 CA GLU A 48 -0.096 -7.977 -10.045 1.00 0.00 C ATOM 703 C GLU A 48 -1.386 -8.659 -10.493 1.00 0.00 C ATOM 704 O GLU A 48 -1.976 -8.318 -11.518 1.00 0.00 O ATOM 705 CB GLU A 48 1.046 -8.994 -10.014 1.00 0.00 C ATOM 706 CG GLU A 48 2.278 -8.550 -10.786 1.00 0.00 C ATOM 707 CD GLU A 48 2.410 -9.248 -12.126 1.00 0.00 C ATOM 708 OE1 GLU A 48 1.873 -8.723 -13.123 1.00 0.00 O ATOM 709 OE2 GLU A 48 3.049 -10.320 -12.175 1.00 0.00 O ATOM 0 H GLU A 48 0.419 -7.659 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 48 0.147 -7.191 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.325 -9.182 -8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.691 -9.939 -10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.234 -7.473 -10.945 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.168 -8.748 -10.188 1.00 0.00 H new ATOM 716 N PRO A 49 -1.835 -9.648 -9.705 1.00 0.00 N ATOM 717 CA PRO A 49 -3.059 -10.400 -9.998 1.00 0.00 C ATOM 718 C PRO A 49 -4.316 -9.554 -9.819 1.00 0.00 C ATOM 719 O PRO A 49 -5.434 -10.047 -9.972 1.00 0.00 O ATOM 720 CB PRO A 49 -3.031 -11.538 -8.975 1.00 0.00 C ATOM 721 CG PRO A 49 -2.212 -11.011 -7.847 1.00 0.00 C ATOM 722 CD PRO A 49 -1.184 -10.108 -8.467 1.00 0.00 C ATOM 0 HA PRO A 49 -3.090 -10.740 -11.033 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.037 -11.800 -8.646 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.589 -12.440 -9.398 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.833 -10.465 -7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.737 -11.823 -7.297 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.934 -9.274 -7.811 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.255 -10.640 -8.675 1.00 0.00 H new ATOM 730 N TYR A 50 -4.124 -8.280 -9.496 1.00 0.00 N ATOM 731 CA TYR A 50 -5.243 -7.366 -9.295 1.00 0.00 C ATOM 732 C TYR A 50 -5.421 -6.449 -10.501 1.00 0.00 C ATOM 733 O TYR A 50 -6.543 -6.155 -10.912 1.00 0.00 O ATOM 734 CB TYR A 50 -5.025 -6.531 -8.032 1.00 0.00 C ATOM 735 CG TYR A 50 -5.196 -7.314 -6.751 1.00 0.00 C ATOM 736 CD1 TYR A 50 -6.444 -7.446 -6.155 1.00 0.00 C ATOM 737 CD2 TYR A 50 -4.109 -7.924 -6.136 1.00 0.00 C ATOM 738 CE1 TYR A 50 -6.604 -8.160 -4.983 1.00 0.00 C ATOM 739 CE2 TYR A 50 -4.260 -8.642 -4.965 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.510 -8.757 -4.392 1.00 0.00 C ATOM 741 OH TYR A 50 -5.666 -9.470 -3.226 1.00 0.00 O ATOM 0 H TYR A 50 -3.205 -7.857 -9.368 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.149 -7.961 -9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.022 -6.106 -8.057 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.725 -5.696 -8.034 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.304 -6.983 -6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.129 -7.835 -6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.581 -8.250 -4.532 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.405 -9.110 -4.501 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.798 -9.827 -2.942 1.00 0.00 H new ATOM 751 N GLY A 51 -4.304 -6.000 -11.066 1.00 0.00 N ATOM 752 CA GLY A 51 -4.357 -5.122 -12.219 1.00 0.00 C ATOM 753 C GLY A 51 -2.980 -4.684 -12.678 1.00 0.00 C ATOM 754 O GLY A 51 -1.994 -4.857 -11.961 1.00 0.00 O ATOM 0 H GLY A 51 -3.363 -6.229 -10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.864 -5.633 -13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.952 -4.242 -11.975 1.00 0.00 H new ATOM 758 N LYS A 52 -2.911 -4.116 -13.877 1.00 0.00 N ATOM 759 CA LYS A 52 -1.645 -3.653 -14.433 1.00 0.00 C ATOM 760 C LYS A 52 -1.115 -2.454 -13.652 1.00 0.00 C ATOM 761 O LYS A 52 -1.722 -1.382 -13.655 1.00 0.00 O ATOM 762 CB LYS A 52 -1.817 -3.279 -15.907 1.00 0.00 C ATOM 763 CG LYS A 52 -1.565 -4.434 -16.860 1.00 0.00 C ATOM 764 CD LYS A 52 -0.872 -3.968 -18.130 1.00 0.00 C ATOM 765 CE LYS A 52 -1.408 -4.690 -19.356 1.00 0.00 C ATOM 766 NZ LYS A 52 -0.562 -5.856 -19.728 1.00 0.00 N ATOM 0 H LYS A 52 -3.718 -3.965 -14.483 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.923 -4.466 -14.353 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.829 -2.904 -16.063 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.135 -2.464 -16.149 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.952 -5.188 -16.366 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.512 -4.910 -17.115 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.013 -2.894 -18.249 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.201 -4.141 -18.045 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.426 -5.027 -19.162 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.457 -3.995 -20.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.961 -6.321 -20.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.404 -5.531 -19.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.536 -6.532 -18.938 1.00 0.00 H new ATOM 780 N ILE A 53 0.020 -2.642 -12.988 1.00 0.00 N ATOM 781 CA ILE A 53 0.632 -1.575 -12.205 1.00 0.00 C ATOM 782 C ILE A 53 1.210 -0.492 -13.110 1.00 0.00 C ATOM 783 O ILE A 53 2.356 -0.582 -13.550 1.00 0.00 O ATOM 784 CB ILE A 53 1.748 -2.116 -11.292 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.185 -3.156 -10.322 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.407 -0.976 -10.529 1.00 0.00 C ATOM 787 CD1 ILE A 53 1.690 -4.559 -10.580 1.00 0.00 C ATOM 0 H ILE A 53 0.535 -3.523 -12.976 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.156 -1.145 -11.586 1.00 0.00 H new ATOM 0 HB ILE A 53 2.503 -2.597 -11.913 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.443 -2.867 -9.303 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.097 -3.152 -10.389 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.194 -1.374 -9.888 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.839 -0.267 -11.235 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.661 -0.469 -9.916 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.250 -5.243 -9.855 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.409 -4.867 -11.587 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.776 -4.578 -10.484 1.00 0.00 H new ATOM 799 N LYS A 54 0.410 0.533 -13.383 1.00 0.00 N ATOM 800 CA LYS A 54 0.843 1.636 -14.233 1.00 0.00 C ATOM 801 C LYS A 54 1.936 2.452 -13.551 1.00 0.00 C ATOM 802 O LYS A 54 2.769 3.068 -14.214 1.00 0.00 O ATOM 803 CB LYS A 54 -0.345 2.539 -14.574 1.00 0.00 C ATOM 804 CG LYS A 54 -0.747 2.489 -16.037 1.00 0.00 C ATOM 805 CD LYS A 54 -1.563 1.246 -16.348 1.00 0.00 C ATOM 806 CE LYS A 54 -0.797 0.285 -17.245 1.00 0.00 C ATOM 807 NZ LYS A 54 -1.673 -0.320 -18.286 1.00 0.00 N ATOM 0 H LYS A 54 -0.542 0.623 -13.028 1.00 0.00 H new ATOM 0 HA LYS A 54 1.249 1.216 -15.153 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.199 2.249 -13.961 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.097 3.567 -14.309 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.326 3.378 -16.287 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.146 2.505 -16.662 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.830 0.743 -15.419 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.495 1.534 -16.834 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.026 0.814 -17.726 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.356 -0.505 -16.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.097 -0.593 -19.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.143 -1.162 -17.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.391 0.372 -18.581 1.00 0.00 H new ATOM 821 N ASN A 55 1.929 2.450 -12.222 1.00 0.00 N ATOM 822 CA ASN A 55 2.922 3.189 -11.451 1.00 0.00 C ATOM 823 C ASN A 55 2.944 2.718 -9.999 1.00 0.00 C ATOM 824 O ASN A 55 1.956 2.189 -9.492 1.00 0.00 O ATOM 825 CB ASN A 55 2.628 4.689 -11.507 1.00 0.00 C ATOM 826 CG ASN A 55 3.850 5.505 -11.880 1.00 0.00 C ATOM 827 OD1 ASN A 55 4.188 5.635 -13.057 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.521 6.058 -10.875 1.00 0.00 N ATOM 0 H ASN A 55 1.247 1.945 -11.657 1.00 0.00 H new ATOM 0 HA ASN A 55 3.901 3.000 -11.891 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.836 4.874 -12.232 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.256 5.020 -10.537 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.353 6.617 -11.064 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.204 5.923 -9.915 1.00 0.00 H new ATOM 835 N TYR A 56 4.079 2.915 -9.338 1.00 0.00 N ATOM 836 CA TYR A 56 4.232 2.508 -7.945 1.00 0.00 C ATOM 837 C TYR A 56 5.259 3.383 -7.233 1.00 0.00 C ATOM 838 O TYR A 56 6.131 3.978 -7.867 1.00 0.00 O ATOM 839 CB TYR A 56 4.651 1.040 -7.863 1.00 0.00 C ATOM 840 CG TYR A 56 6.133 0.820 -8.072 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.653 0.626 -9.346 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.011 0.807 -6.996 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.005 0.424 -9.542 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.365 0.607 -7.183 1.00 0.00 C ATOM 845 CZ TYR A 56 8.858 0.416 -8.457 1.00 0.00 C ATOM 846 OH TYR A 56 10.206 0.215 -8.647 1.00 0.00 O ATOM 0 H TYR A 56 4.906 3.353 -9.743 1.00 0.00 H new ATOM 0 HA TYR A 56 3.269 2.631 -7.449 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.367 0.644 -6.888 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.099 0.471 -8.611 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.988 0.633 -10.197 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.629 0.956 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.393 0.273 -10.539 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.034 0.600 -6.336 1.00 0.00 H new ATOM 0 HH TYR A 56 10.665 0.239 -7.782 1.00 0.00 H new ATOM 856 N ILE A 57 5.150 3.455 -5.910 1.00 0.00 N ATOM 857 CA ILE A 57 6.069 4.253 -5.111 1.00 0.00 C ATOM 858 C ILE A 57 6.525 3.492 -3.871 1.00 0.00 C ATOM 859 O ILE A 57 5.707 3.059 -3.059 1.00 0.00 O ATOM 860 CB ILE A 57 5.426 5.583 -4.674 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.383 6.564 -5.848 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.191 6.183 -3.503 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.723 7.196 -6.155 1.00 0.00 C ATOM 0 H ILE A 57 4.434 2.970 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 57 6.932 4.465 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 57 4.404 5.386 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.025 6.041 -6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.661 7.350 -5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.724 7.122 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.174 5.488 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.223 6.369 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.618 7.880 -6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.074 7.747 -5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.443 6.418 -6.407 1.00 0.00 H new ATOM 875 N LEU A 58 7.836 3.332 -3.730 1.00 0.00 N ATOM 876 CA LEU A 58 8.402 2.622 -2.588 1.00 0.00 C ATOM 877 C LEU A 58 9.194 3.573 -1.695 1.00 0.00 C ATOM 878 O LEU A 58 10.348 3.891 -1.981 1.00 0.00 O ATOM 879 CB LEU A 58 9.305 1.483 -3.067 1.00 0.00 C ATOM 880 CG LEU A 58 8.913 0.078 -2.606 1.00 0.00 C ATOM 881 CD1 LEU A 58 8.936 -0.011 -1.087 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.540 -0.295 -3.144 1.00 0.00 C ATOM 0 H LEU A 58 8.527 3.684 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 58 7.580 2.205 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.324 1.494 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.321 1.685 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 58 9.641 -0.631 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.655 -1.017 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.939 0.213 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.231 0.708 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.277 -1.297 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.800 0.417 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.558 -0.272 -4.234 1.00 0.00 H new ATOM 894 N MET A 59 8.566 4.020 -0.613 1.00 0.00 N ATOM 895 CA MET A 59 9.214 4.931 0.324 1.00 0.00 C ATOM 896 C MET A 59 9.697 4.184 1.563 1.00 0.00 C ATOM 897 O MET A 59 8.948 3.417 2.169 1.00 0.00 O ATOM 898 CB MET A 59 8.250 6.048 0.731 1.00 0.00 C ATOM 899 CG MET A 59 7.902 6.994 -0.407 1.00 0.00 C ATOM 900 SD MET A 59 6.930 8.411 0.141 1.00 0.00 S ATOM 901 CE MET A 59 5.855 8.650 -1.273 1.00 0.00 C ATOM 0 H MET A 59 7.610 3.767 -0.363 1.00 0.00 H new ATOM 0 HA MET A 59 10.079 5.370 -0.174 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.333 5.603 1.116 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.693 6.620 1.546 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.821 7.348 -0.874 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.345 6.450 -1.170 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.216 9.516 -1.102 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.459 8.816 -2.165 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.236 7.764 -1.413 1.00 0.00 H new ATOM 911 N ARG A 60 10.952 4.414 1.934 1.00 0.00 N ATOM 912 CA ARG A 60 11.536 3.761 3.100 1.00 0.00 C ATOM 913 C ARG A 60 11.357 4.619 4.350 1.00 0.00 C ATOM 914 O ARG A 60 11.443 4.123 5.473 1.00 0.00 O ATOM 915 CB ARG A 60 13.022 3.484 2.867 1.00 0.00 C ATOM 916 CG ARG A 60 13.286 2.232 2.046 1.00 0.00 C ATOM 917 CD ARG A 60 14.634 2.300 1.345 1.00 0.00 C ATOM 918 NE ARG A 60 14.949 1.058 0.645 1.00 0.00 N ATOM 919 CZ ARG A 60 15.354 -0.049 1.257 1.00 0.00 C ATOM 920 NH1 ARG A 60 15.491 -0.068 2.576 1.00 0.00 N ATOM 921 NH2 ARG A 60 15.622 -1.140 0.551 1.00 0.00 N ATOM 0 H ARG A 60 11.584 5.047 1.444 1.00 0.00 H new ATOM 0 HA ARG A 60 11.017 2.814 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.468 4.341 2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.521 3.388 3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.256 1.357 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.496 2.107 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.632 3.126 0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.413 2.511 2.077 1.00 0.00 H new ATOM 0 HE ARG A 60 14.853 1.039 -0.370 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.285 0.768 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.802 -0.919 3.044 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.517 -1.129 -0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.933 -1.989 1.023 1.00 0.00 H new ATOM 935 N MET A 61 11.110 5.909 4.145 1.00 0.00 N ATOM 936 CA MET A 61 10.919 6.836 5.254 1.00 0.00 C ATOM 937 C MET A 61 10.107 6.187 6.370 1.00 0.00 C ATOM 938 O MET A 61 10.617 5.949 7.466 1.00 0.00 O ATOM 939 CB MET A 61 10.220 8.107 4.771 1.00 0.00 C ATOM 940 CG MET A 61 10.916 9.387 5.203 1.00 0.00 C ATOM 941 SD MET A 61 9.970 10.314 6.426 1.00 0.00 S ATOM 942 CE MET A 61 10.691 9.704 7.946 1.00 0.00 C ATOM 0 H MET A 61 11.038 6.336 3.221 1.00 0.00 H new ATOM 0 HA MET A 61 11.901 7.099 5.648 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.158 8.086 3.683 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.197 8.115 5.148 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.895 9.142 5.616 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.087 10.016 4.329 1.00 0.00 H new ATOM 0 HE1 MET A 61 10.209 10.186 8.796 1.00 0.00 H new ATOM 0 HE2 MET A 61 10.547 8.625 8.010 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.757 9.929 7.959 1.00 0.00 H new ATOM 952 N LYS A 62 8.841 5.904 6.087 1.00 0.00 N ATOM 953 CA LYS A 62 7.957 5.282 7.066 1.00 0.00 C ATOM 954 C LYS A 62 7.497 3.909 6.588 1.00 0.00 C ATOM 955 O LYS A 62 6.405 3.455 6.932 1.00 0.00 O ATOM 956 CB LYS A 62 6.743 6.176 7.328 1.00 0.00 C ATOM 957 CG LYS A 62 6.948 7.161 8.467 1.00 0.00 C ATOM 958 CD LYS A 62 6.448 6.599 9.786 1.00 0.00 C ATOM 959 CE LYS A 62 6.476 7.649 10.886 1.00 0.00 C ATOM 960 NZ LYS A 62 5.282 8.537 10.835 1.00 0.00 N ATOM 0 H LYS A 62 8.403 6.096 5.186 1.00 0.00 H new ATOM 0 HA LYS A 62 8.515 5.156 7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.506 6.729 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.881 5.548 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.007 7.405 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.424 8.090 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.431 6.227 9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.065 5.749 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.521 7.156 11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.380 8.250 10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.338 9.239 11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.252 9.027 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.420 7.967 10.951 1.00 0.00 H new ATOM 974 N SER A 63 8.336 3.251 5.794 1.00 0.00 N ATOM 975 CA SER A 63 8.013 1.930 5.267 1.00 0.00 C ATOM 976 C SER A 63 6.650 1.937 4.582 1.00 0.00 C ATOM 977 O SER A 63 5.839 1.034 4.783 1.00 0.00 O ATOM 978 CB SER A 63 8.027 0.892 6.391 1.00 0.00 C ATOM 979 OG SER A 63 8.865 -0.203 6.064 1.00 0.00 O ATOM 0 H SER A 63 9.244 3.611 5.502 1.00 0.00 H new ATOM 0 HA SER A 63 8.770 1.665 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.374 1.356 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.013 0.536 6.574 1.00 0.00 H new ATOM 0 HG SER A 63 8.471 -1.031 6.410 1.00 0.00 H new ATOM 985 N GLN A 64 6.407 2.962 3.772 1.00 0.00 N ATOM 986 CA GLN A 64 5.142 3.087 3.057 1.00 0.00 C ATOM 987 C GLN A 64 5.357 2.990 1.550 1.00 0.00 C ATOM 988 O GLN A 64 6.483 3.099 1.065 1.00 0.00 O ATOM 989 CB GLN A 64 4.466 4.414 3.404 1.00 0.00 C ATOM 990 CG GLN A 64 3.884 4.452 4.808 1.00 0.00 C ATOM 991 CD GLN A 64 3.189 5.763 5.117 1.00 0.00 C ATOM 992 OE1 GLN A 64 3.644 6.831 4.708 1.00 0.00 O ATOM 993 NE2 GLN A 64 2.079 5.688 5.842 1.00 0.00 N ATOM 0 H GLN A 64 7.069 3.718 3.594 1.00 0.00 H new ATOM 0 HA GLN A 64 4.495 2.266 3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.192 5.220 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.670 4.606 2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.175 3.633 4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.682 4.289 5.532 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.738 4.781 6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.567 6.538 6.081 1.00 0.00 H new ATOM 1002 N ALA A 65 4.269 2.784 0.815 1.00 0.00 N ATOM 1003 CA ALA A 65 4.338 2.676 -0.638 1.00 0.00 C ATOM 1004 C ALA A 65 2.968 2.892 -1.270 1.00 0.00 C ATOM 1005 O ALA A 65 1.940 2.566 -0.675 1.00 0.00 O ATOM 1006 CB ALA A 65 4.899 1.319 -1.037 1.00 0.00 C ATOM 0 H ALA A 65 3.330 2.689 1.201 1.00 0.00 H new ATOM 0 HA ALA A 65 5.004 3.456 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.946 1.250 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.900 1.203 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.253 0.530 -0.651 1.00 0.00 H new ATOM 1012 N PHE A 66 2.960 3.443 -2.479 1.00 0.00 N ATOM 1013 CA PHE A 66 1.714 3.704 -3.192 1.00 0.00 C ATOM 1014 C PHE A 66 1.728 3.046 -4.569 1.00 0.00 C ATOM 1015 O PHE A 66 2.496 3.439 -5.448 1.00 0.00 O ATOM 1016 CB PHE A 66 1.490 5.211 -3.335 1.00 0.00 C ATOM 1017 CG PHE A 66 1.427 5.934 -2.021 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.577 6.444 -1.440 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.217 6.108 -1.368 1.00 0.00 C ATOM 1020 CE1 PHE A 66 2.521 7.110 -0.230 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.155 6.774 -0.158 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.309 7.276 0.411 1.00 0.00 C ATOM 0 H PHE A 66 3.802 3.718 -2.986 1.00 0.00 H new ATOM 0 HA PHE A 66 0.896 3.276 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.295 5.635 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.562 5.382 -3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.527 6.320 -1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.688 5.719 -1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.425 7.500 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.794 6.901 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.264 7.798 1.356 1.00 0.00 H new ATOM 1032 N ILE A 67 0.875 2.045 -4.748 1.00 0.00 N ATOM 1033 CA ILE A 67 0.787 1.333 -6.018 1.00 0.00 C ATOM 1034 C ILE A 67 -0.463 1.737 -6.790 1.00 0.00 C ATOM 1035 O ILE A 67 -1.583 1.422 -6.386 1.00 0.00 O ATOM 1036 CB ILE A 67 0.777 -0.192 -5.809 1.00 0.00 C ATOM 1037 CG1 ILE A 67 1.993 -0.625 -4.986 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.755 -0.911 -7.149 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.917 -2.055 -4.501 1.00 0.00 C ATOM 0 H ILE A 67 0.234 1.707 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 67 1.671 1.607 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.125 -0.462 -5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.892 -0.502 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.094 0.037 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.748 -1.988 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.139 -0.623 -7.702 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.640 -0.638 -7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.812 -2.292 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.037 -2.179 -3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.848 -2.726 -5.357 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.265 2.435 -7.904 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.379 2.881 -8.733 1.00 0.00 C ATOM 1053 C GLU A 68 -1.769 1.806 -9.744 1.00 0.00 C ATOM 1054 O GLU A 68 -1.029 1.526 -10.685 1.00 0.00 O ATOM 1055 CB GLU A 68 -1.013 4.174 -9.465 1.00 0.00 C ATOM 1056 CG GLU A 68 -2.065 4.630 -10.461 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.851 6.057 -10.926 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.759 6.351 -11.455 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.776 6.880 -10.760 1.00 0.00 O ATOM 0 H GLU A 68 0.655 2.704 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.231 3.069 -8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.854 4.964 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.068 4.030 -9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.054 3.965 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.052 4.545 -10.006 1.00 0.00 H new ATOM 1066 N MET A 69 -2.939 1.208 -9.539 1.00 0.00 N ATOM 1067 CA MET A 69 -3.429 0.165 -10.432 1.00 0.00 C ATOM 1068 C MET A 69 -3.824 0.747 -11.785 1.00 0.00 C ATOM 1069 O MET A 69 -3.901 1.965 -11.946 1.00 0.00 O ATOM 1070 CB MET A 69 -4.625 -0.553 -9.803 1.00 0.00 C ATOM 1071 CG MET A 69 -4.355 -1.071 -8.401 1.00 0.00 C ATOM 1072 SD MET A 69 -4.656 -2.842 -8.244 1.00 0.00 S ATOM 1073 CE MET A 69 -3.536 -3.487 -9.484 1.00 0.00 C ATOM 0 H MET A 69 -3.564 1.428 -8.763 1.00 0.00 H new ATOM 0 HA MET A 69 -2.624 -0.553 -10.588 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.473 0.131 -9.771 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.913 -1.389 -10.441 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.321 -0.857 -8.132 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.986 -0.535 -7.692 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.446 -4.567 -9.366 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.924 -3.262 -10.477 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.556 -3.026 -9.364 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.072 -0.129 -12.753 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.457 0.301 -14.092 1.00 0.00 C ATOM 1085 C GLU A 70 -5.853 0.917 -14.083 1.00 0.00 C ATOM 1086 O GLU A 70 -6.136 1.851 -14.836 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.415 -0.881 -15.062 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.679 -0.491 -16.508 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.345 -1.599 -17.299 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -6.238 -2.272 -16.743 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.973 -1.794 -18.476 1.00 0.00 O ATOM 0 H GLU A 70 -4.013 -1.140 -12.635 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.746 1.058 -14.423 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.438 -1.360 -14.996 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.154 -1.620 -14.753 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.311 0.397 -16.531 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.737 -0.224 -16.986 1.00 0.00 H new ATOM 1098 N THR A 71 -6.723 0.389 -13.228 1.00 0.00 N ATOM 1099 CA THR A 71 -8.089 0.885 -13.123 1.00 0.00 C ATOM 1100 C THR A 71 -8.573 0.860 -11.678 1.00 0.00 C ATOM 1101 O THR A 71 -8.171 0.001 -10.894 1.00 0.00 O ATOM 1102 CB THR A 71 -9.056 0.056 -13.990 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.447 -1.131 -13.292 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.409 -0.318 -15.316 1.00 0.00 C ATOM 0 H THR A 71 -6.505 -0.383 -12.598 1.00 0.00 H new ATOM 0 HA THR A 71 -8.080 1.914 -13.483 1.00 0.00 H new ATOM 0 HB THR A 71 -9.938 0.663 -14.193 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.063 -1.651 -13.850 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.110 -0.903 -15.911 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.141 0.589 -15.859 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.512 -0.908 -15.129 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.439 1.807 -11.333 1.00 0.00 N ATOM 1113 CA ARG A 72 -9.979 1.894 -9.981 1.00 0.00 C ATOM 1114 C ARG A 72 -10.520 0.542 -9.524 1.00 0.00 C ATOM 1115 O ARG A 72 -10.387 0.171 -8.358 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.085 2.946 -9.916 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.576 3.230 -8.506 1.00 0.00 C ATOM 1118 CD ARG A 72 -11.562 4.719 -8.199 1.00 0.00 C ATOM 1119 NE ARG A 72 -12.597 5.089 -7.237 1.00 0.00 N ATOM 1120 CZ ARG A 72 -13.898 5.021 -7.494 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -14.322 4.596 -8.677 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -14.779 5.375 -6.567 1.00 0.00 N ATOM 0 H ARG A 72 -9.782 2.525 -11.971 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.170 2.188 -9.312 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.719 3.873 -10.357 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.926 2.614 -10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.588 2.843 -8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.947 2.704 -7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.585 4.999 -7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.707 5.281 -9.122 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.304 5.418 -6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.648 4.321 -9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.322 4.545 -8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.457 5.700 -5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.778 5.322 -6.766 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.131 -0.189 -10.451 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.693 -1.498 -10.142 1.00 0.00 C ATOM 1138 C GLU A 73 -10.685 -2.360 -9.389 1.00 0.00 C ATOM 1139 O GLU A 73 -10.928 -2.772 -8.254 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.128 -2.208 -11.427 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.392 -1.633 -12.043 1.00 0.00 C ATOM 1142 CD GLU A 73 -13.158 -1.053 -13.423 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -12.600 -1.768 -14.281 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -13.534 0.117 -13.646 1.00 0.00 O ATOM 0 H GLU A 73 -11.249 0.103 -11.421 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.565 -1.348 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.320 -2.149 -12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.287 -3.265 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.149 -2.415 -12.105 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.789 -0.856 -11.389 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.552 -2.629 -10.027 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.505 -3.441 -9.418 1.00 0.00 C ATOM 1153 C ASP A 74 -8.134 -2.905 -8.038 1.00 0.00 C ATOM 1154 O ASP A 74 -8.312 -3.586 -7.029 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.266 -3.472 -10.315 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.579 -3.957 -11.718 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.457 -4.834 -11.861 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.948 -3.457 -12.672 1.00 0.00 O ATOM 0 H ASP A 74 -9.335 -2.297 -10.966 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.888 -4.455 -9.304 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.834 -2.473 -10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.514 -4.122 -9.868 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.619 -1.682 -8.004 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.225 -1.054 -6.749 1.00 0.00 C ATOM 1165 C ALA A 75 -8.248 -1.330 -5.652 1.00 0.00 C ATOM 1166 O ALA A 75 -7.910 -1.864 -4.595 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.046 0.445 -6.941 1.00 0.00 C ATOM 0 H ALA A 75 -7.464 -1.105 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.273 -1.485 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.752 0.900 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.273 0.626 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.985 0.883 -7.278 1.00 0.00 H new ATOM 1173 N MET A 76 -9.499 -0.963 -5.909 1.00 0.00 N ATOM 1174 CA MET A 76 -10.570 -1.173 -4.944 1.00 0.00 C ATOM 1175 C MET A 76 -10.680 -2.646 -4.564 1.00 0.00 C ATOM 1176 O MET A 76 -10.885 -2.983 -3.398 1.00 0.00 O ATOM 1177 CB MET A 76 -11.903 -0.681 -5.513 1.00 0.00 C ATOM 1178 CG MET A 76 -11.921 0.808 -5.816 1.00 0.00 C ATOM 1179 SD MET A 76 -12.914 1.746 -4.638 1.00 0.00 S ATOM 1180 CE MET A 76 -11.877 3.185 -4.393 1.00 0.00 C ATOM 0 H MET A 76 -9.795 -0.519 -6.778 1.00 0.00 H new ATOM 0 HA MET A 76 -10.332 -0.601 -4.047 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.124 -1.232 -6.427 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.698 -0.909 -4.803 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.900 1.189 -5.808 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.312 0.965 -6.821 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.557 3.230 -3.352 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.002 3.117 -5.039 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.440 4.085 -4.638 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.543 -3.520 -5.556 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.625 -4.958 -5.325 1.00 0.00 C ATOM 1192 C ALA A 77 -9.524 -5.424 -4.379 1.00 0.00 C ATOM 1193 O ALA A 77 -9.735 -6.317 -3.558 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.543 -5.710 -6.644 1.00 0.00 C ATOM 0 H ALA A 77 -10.375 -3.258 -6.527 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.586 -5.172 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.605 -6.782 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.368 -5.406 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.597 -5.482 -7.135 1.00 0.00 H new ATOM 1200 N MET A 78 -8.349 -4.816 -4.499 1.00 0.00 N ATOM 1201 CA MET A 78 -7.214 -5.170 -3.653 1.00 0.00 C ATOM 1202 C MET A 78 -7.486 -4.800 -2.198 1.00 0.00 C ATOM 1203 O MET A 78 -7.523 -5.666 -1.324 1.00 0.00 O ATOM 1204 CB MET A 78 -5.947 -4.468 -4.142 1.00 0.00 C ATOM 1205 CG MET A 78 -4.675 -4.985 -3.489 1.00 0.00 C ATOM 1206 SD MET A 78 -3.183 -4.298 -4.234 1.00 0.00 S ATOM 1207 CE MET A 78 -2.055 -4.354 -2.844 1.00 0.00 C ATOM 0 H MET A 78 -8.157 -4.076 -5.174 1.00 0.00 H new ATOM 0 HA MET A 78 -7.069 -6.248 -3.715 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.867 -4.591 -5.222 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.036 -3.399 -3.949 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.691 -4.741 -2.427 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.648 -6.072 -3.566 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.038 -4.505 -3.206 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.109 -3.415 -2.294 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.331 -5.177 -2.185 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.674 -3.508 -1.946 1.00 0.00 N ATOM 1218 CA VAL A 79 -7.941 -3.025 -0.597 1.00 0.00 C ATOM 1219 C VAL A 79 -9.077 -3.808 0.053 1.00 0.00 C ATOM 1220 O VAL A 79 -9.041 -4.094 1.250 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.302 -1.527 -0.599 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.177 -0.707 -1.212 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.608 -1.295 -1.345 1.00 0.00 C ATOM 0 H VAL A 79 -7.646 -2.778 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.027 -3.171 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.436 -1.202 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.450 0.348 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.265 -0.850 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.008 -1.031 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.848 -0.232 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.504 -1.635 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.409 -1.851 -0.858 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.082 -4.153 -0.744 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.228 -4.905 -0.246 1.00 0.00 C ATOM 1235 C ASP A 80 -10.805 -6.295 0.219 1.00 0.00 C ATOM 1236 O ASP A 80 -11.110 -6.706 1.340 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.298 -5.022 -1.332 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.690 -4.729 -0.807 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -13.806 -3.953 0.164 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.663 -5.277 -1.367 1.00 0.00 O ATOM 0 H ASP A 80 -10.127 -3.924 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.643 -4.366 0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.066 -4.331 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.276 -6.027 -1.753 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.102 -7.016 -0.649 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.637 -8.360 -0.327 1.00 0.00 C ATOM 1247 C HIS A 81 -8.961 -8.389 1.042 1.00 0.00 C ATOM 1248 O HIS A 81 -8.875 -9.438 1.681 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.665 -8.858 -1.398 1.00 0.00 C ATOM 1250 CG HIS A 81 -9.019 -10.204 -1.949 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -9.514 -10.390 -3.222 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -8.946 -11.436 -1.392 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -9.732 -11.676 -3.425 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -9.395 -12.334 -2.330 1.00 0.00 N ATOM 0 H HIS A 81 -9.842 -6.692 -1.581 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.504 -9.019 -0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.636 -8.136 -2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.661 -8.900 -0.975 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.599 -11.669 -0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.120 -12.116 -4.332 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.458 -13.344 -2.202 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.485 -7.230 1.484 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.816 -7.122 2.776 1.00 0.00 C ATOM 1264 C CYS A 82 -8.832 -7.088 3.913 1.00 0.00 C ATOM 1265 O CYS A 82 -8.569 -7.583 5.011 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.942 -5.868 2.819 1.00 0.00 C ATOM 1267 SG CYS A 82 -5.888 -5.752 4.283 1.00 0.00 S ATOM 0 H CYS A 82 -8.550 -6.353 0.968 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.184 -8.000 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.313 -5.846 1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.585 -4.989 2.777 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.433 -6.409 5.263 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.992 -6.500 3.644 1.00 0.00 N ATOM 1274 CA LEU A 83 -11.049 -6.399 4.646 1.00 0.00 C ATOM 1275 C LEU A 83 -11.589 -7.778 5.008 1.00 0.00 C ATOM 1276 O LEU A 83 -11.636 -8.151 6.181 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.183 -5.512 4.130 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.795 -4.087 3.735 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.927 -3.420 2.967 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.430 -3.272 4.965 1.00 0.00 C ATOM 0 H LEU A 83 -10.225 -6.086 2.741 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.625 -5.949 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.632 -5.998 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.953 -5.457 4.899 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.921 -4.136 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.634 -2.406 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.140 -3.992 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.819 -3.383 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.157 -2.261 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.284 -3.231 5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.587 -3.739 5.474 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.997 -8.534 3.993 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.532 -9.874 4.203 1.00 0.00 C ATOM 1294 C LYS A 84 -11.436 -10.831 4.661 1.00 0.00 C ATOM 1295 O LYS A 84 -11.625 -11.606 5.599 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.174 -10.396 2.916 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.525 -9.770 2.613 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.381 -8.523 1.756 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.697 -8.812 0.296 1.00 0.00 C ATOM 1300 NZ LYS A 84 -15.943 -8.131 -0.148 1.00 0.00 N ATOM 0 H LYS A 84 -11.967 -8.241 3.017 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.291 -9.818 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.500 -10.207 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.292 -11.477 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.156 -10.495 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.027 -9.515 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.049 -7.746 2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.365 -8.137 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.864 -8.487 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.801 -9.888 0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.391 -8.686 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.599 -8.049 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.712 -7.182 -0.505 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.288 -10.772 3.994 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.160 -11.631 4.334 1.00 0.00 C ATOM 1316 C LYS A 85 -7.935 -10.801 4.704 1.00 0.00 C ATOM 1317 O LYS A 85 -7.716 -9.722 4.155 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.826 -12.557 3.162 1.00 0.00 C ATOM 1319 CG LYS A 85 -7.692 -13.524 3.454 1.00 0.00 C ATOM 1320 CD LYS A 85 -6.658 -13.522 2.341 1.00 0.00 C ATOM 1321 CE LYS A 85 -5.717 -14.712 2.453 1.00 0.00 C ATOM 1322 NZ LYS A 85 -4.514 -14.393 3.272 1.00 0.00 N ATOM 0 H LYS A 85 -10.114 -10.138 3.214 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.443 -12.234 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.717 -13.125 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.561 -11.951 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.215 -13.253 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.093 -14.530 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.162 -13.545 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.083 -12.597 2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.247 -15.554 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.405 -15.024 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.674 -14.368 2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.639 -13.466 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.388 -15.122 4.003 1.00 0.00 H new ATOM 1336 N ALA A 86 -7.138 -11.313 5.637 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.935 -10.619 6.077 1.00 0.00 C ATOM 1338 C ALA A 86 -4.808 -10.779 5.063 1.00 0.00 C ATOM 1339 O ALA A 86 -4.429 -11.897 4.711 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.497 -11.136 7.441 1.00 0.00 C ATOM 0 H ALA A 86 -7.304 -12.205 6.102 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.167 -9.557 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.597 -10.609 7.758 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.292 -10.966 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.288 -12.204 7.375 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.275 -9.655 4.595 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.192 -9.669 3.620 1.00 0.00 C ATOM 1348 C LEU A 87 -1.836 -9.773 4.313 1.00 0.00 C ATOM 1349 O LEU A 87 -1.495 -8.944 5.157 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.240 -8.407 2.756 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.770 -8.567 1.309 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.730 -7.871 0.357 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.361 -8.018 1.142 1.00 0.00 C ATOM 0 H LEU A 87 -4.576 -8.722 4.876 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.322 -10.544 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.265 -8.037 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.629 -7.641 3.233 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.756 -9.630 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.380 -7.995 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.723 -8.309 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.776 -6.809 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.043 -8.140 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.350 -6.960 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.679 -8.560 1.797 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.069 -10.794 3.949 1.00 0.00 N ATOM 1366 CA TRP A 88 0.249 -11.006 4.534 1.00 0.00 C ATOM 1367 C TRP A 88 1.344 -10.847 3.484 1.00 0.00 C ATOM 1368 O TRP A 88 1.392 -11.593 2.506 1.00 0.00 O ATOM 1369 CB TRP A 88 0.333 -12.395 5.169 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.364 -12.487 6.492 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.587 -13.043 6.738 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.119 -12.005 7.750 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -1.893 -12.938 8.073 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.861 -12.306 8.716 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.286 -11.352 8.156 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.709 -11.972 10.059 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.435 -11.022 9.490 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.443 -11.333 10.429 1.00 0.00 C ATOM 0 H TRP A 88 -1.337 -11.488 3.251 1.00 0.00 H new ATOM 0 HA TRP A 88 0.400 -10.252 5.307 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.101 -13.125 4.486 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.381 -12.664 5.299 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.221 -13.499 5.992 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.749 -13.275 8.514 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.058 -11.110 7.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.474 -12.209 10.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.332 -10.515 9.814 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.590 -11.063 11.464 1.00 0.00 H new ATOM 1433 N ARG A 92 4.161 -10.285 7.134 1.00 0.00 N ATOM 1434 CA ARG A 92 3.781 -9.073 7.849 1.00 0.00 C ATOM 1435 C ARG A 92 2.325 -8.712 7.571 1.00 0.00 C ATOM 1436 O ARG A 92 1.796 -9.007 6.498 1.00 0.00 O ATOM 1437 CB ARG A 92 4.692 -7.912 7.449 1.00 0.00 C ATOM 1438 CG ARG A 92 6.160 -8.153 7.761 1.00 0.00 C ATOM 1439 CD ARG A 92 6.674 -7.179 8.811 1.00 0.00 C ATOM 1440 NE ARG A 92 8.132 -7.102 8.818 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.840 -6.658 9.850 1.00 0.00 C ATOM 1442 NH1 ARG A 92 8.226 -6.254 10.953 1.00 0.00 N ATOM 1443 NH2 ARG A 92 10.165 -6.617 9.781 1.00 0.00 N ATOM 0 HA ARG A 92 3.893 -9.261 8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.582 -7.727 6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.363 -7.009 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.295 -9.175 8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.748 -8.051 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.260 -6.189 8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.322 -7.488 9.795 1.00 0.00 H new ATOM 0 HE ARG A 92 8.635 -7.406 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.208 -6.284 11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.771 -5.913 11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.641 -6.927 8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.707 -6.276 10.575 1.00 0.00 H new ATOM 1457 N CYS A 93 1.684 -8.071 8.542 1.00 0.00 N ATOM 1458 CA CYS A 93 0.288 -7.671 8.402 1.00 0.00 C ATOM 1459 C CYS A 93 0.180 -6.299 7.744 1.00 0.00 C ATOM 1460 O CYS A 93 -0.560 -5.432 8.208 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.398 -7.650 9.768 1.00 0.00 C ATOM 1462 SG CYS A 93 -2.196 -7.817 9.694 1.00 0.00 S ATOM 0 H CYS A 93 2.108 -7.817 9.434 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.211 -8.401 7.765 1.00 0.00 H new ATOM 0 HB2 CYS A 93 0.006 -8.458 10.378 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.151 -6.716 10.272 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.684 -7.790 10.899 1.00 0.00 H new ATOM 1468 N VAL A 94 0.925 -6.109 6.659 1.00 0.00 N ATOM 1469 CA VAL A 94 0.913 -4.842 5.937 1.00 0.00 C ATOM 1470 C VAL A 94 -0.513 -4.369 5.679 1.00 0.00 C ATOM 1471 O VAL A 94 -1.375 -5.151 5.276 1.00 0.00 O ATOM 1472 CB VAL A 94 1.655 -4.956 4.592 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.989 -5.993 3.701 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.713 -3.603 3.900 1.00 0.00 C ATOM 0 H VAL A 94 1.544 -6.816 6.261 1.00 0.00 H new ATOM 0 HA VAL A 94 1.425 -4.115 6.567 1.00 0.00 H new ATOM 0 HB VAL A 94 2.677 -5.283 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.527 -6.060 2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.006 -6.963 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.044 -5.700 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.241 -3.702 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.700 -3.245 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.240 -2.891 4.536 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.756 -3.084 5.915 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.078 -2.504 5.707 1.00 0.00 C ATOM 1486 C LYS A 95 -2.225 -1.980 4.282 1.00 0.00 C ATOM 1487 O LYS A 95 -1.501 -1.077 3.864 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.322 -1.371 6.706 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.708 -1.397 7.328 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.732 -2.226 8.601 1.00 0.00 C ATOM 1491 CE LYS A 95 -3.932 -1.353 9.830 1.00 0.00 C ATOM 1492 NZ LYS A 95 -3.022 -1.744 10.943 1.00 0.00 N ATOM 0 H LYS A 95 -0.054 -2.424 6.251 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.820 -3.287 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.576 -1.430 7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.177 -0.416 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.028 -0.379 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.421 -1.806 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.533 -2.962 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.797 -2.779 8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.756 -0.310 9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.967 -1.428 10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.189 -1.125 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.207 -2.732 11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.034 -1.648 10.633 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.167 -2.554 3.540 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.410 -2.143 2.162 1.00 0.00 C ATOM 1508 C VAL A 96 -4.744 -1.415 2.033 1.00 0.00 C ATOM 1509 O VAL A 96 -5.806 -2.036 2.051 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.403 -3.351 1.207 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.335 -4.440 1.716 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -3.792 -2.920 -0.199 1.00 0.00 C ATOM 0 H VAL A 96 -3.774 -3.304 3.870 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.601 -1.466 1.886 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.393 -3.758 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.317 -5.285 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.007 -4.768 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.350 -4.048 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.782 -3.786 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.792 -2.487 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.081 -2.178 -0.562 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.680 -0.094 1.904 1.00 0.00 N ATOM 1523 CA ASP A 97 -5.882 0.720 1.771 1.00 0.00 C ATOM 1524 C ASP A 97 -5.687 1.809 0.721 1.00 0.00 C ATOM 1525 O ASP A 97 -4.568 2.271 0.489 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.249 1.350 3.115 1.00 0.00 C ATOM 1527 CG ASP A 97 -7.234 0.505 3.900 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -8.285 0.139 3.335 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -6.952 0.211 5.081 1.00 0.00 O ATOM 0 H ASP A 97 -3.808 0.435 1.889 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.696 0.071 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.344 1.491 3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.677 2.338 2.945 1.00 0.00 H new ATOM 1534 N LEU A 98 -6.782 2.217 0.087 1.00 0.00 N ATOM 1535 CA LEU A 98 -6.731 3.251 -0.940 1.00 0.00 C ATOM 1536 C LEU A 98 -6.533 4.629 -0.315 1.00 0.00 C ATOM 1537 O LEU A 98 -7.289 5.037 0.567 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.016 3.236 -1.770 1.00 0.00 C ATOM 1539 CG LEU A 98 -7.849 2.925 -3.258 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.414 1.551 -3.582 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.522 3.995 -4.106 1.00 0.00 C ATOM 0 H LEU A 98 -7.715 1.847 0.267 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.882 3.041 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.695 2.500 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.498 4.209 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.784 2.922 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.287 1.347 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.886 0.794 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.475 1.526 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.393 3.757 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.585 4.031 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.070 4.964 -3.895 1.00 0.00 H new ATOM 1553 N SER A 99 -5.511 5.341 -0.779 1.00 0.00 N ATOM 1554 CA SER A 99 -5.212 6.673 -0.265 1.00 0.00 C ATOM 1555 C SER A 99 -6.281 7.673 -0.694 1.00 0.00 C ATOM 1556 O SER A 99 -6.840 8.393 0.134 1.00 0.00 O ATOM 1557 CB SER A 99 -3.839 7.136 -0.756 1.00 0.00 C ATOM 1558 OG SER A 99 -3.843 7.347 -2.157 1.00 0.00 O ATOM 0 H SER A 99 -4.876 5.018 -1.509 1.00 0.00 H new ATOM 0 HA SER A 99 -5.202 6.622 0.824 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.559 8.058 -0.247 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.087 6.390 -0.500 1.00 0.00 H new ATOM 0 HG SER A 99 -2.955 7.644 -2.446 1.00 0.00 H new