USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 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 HD1:sc= -0.316 X(o=-0.32,f=0) USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.34 X(o=0.12,f=-0.22) USER MOD Set 2.2: A 93 CYS SG : rot 52:sc= -0.218 USER MOD Set 3.1: A 50 TYR OH : rot -148:sc= 0.00382 USER MOD Set 3.2: A 81 HIS : no HD1:sc= 0.00346 X(o=0.0073,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -4:sc= 0.231 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -110:sc= -0.852 (180deg=-2.95!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.016) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 174:sc= -2.73! (180deg=-2.85!) USER MOD Single : A 61 MET CE :methyl 145:sc= -0.141 (180deg=-0.146) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -140:sc= 0.225 USER MOD Single : A 64 GLN : amide:sc= -0.365 X(o=-0.37,f=0) USER MOD Single : A 69 MET CE :methyl 169:sc= -6.45! (180deg=-6.89!) USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.0715 USER MOD Single : A 76 MET CE :methyl -112:sc= -4.46! (180deg=-8.62!) USER MOD Single : A 78 MET CE :methyl -114:sc= -2.36 (180deg=-4.47!) USER MOD Single : A 82 CYS SG : rot -18:sc= 0.156 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.619 9.118 -8.980 1.00 0.00 N ATOM 356 CA GLY A 25 -7.329 8.870 -8.364 1.00 0.00 C ATOM 357 C GLY A 25 -7.251 7.502 -7.714 1.00 0.00 C ATOM 358 O GLY A 25 -7.854 7.270 -6.666 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.547 8.956 -9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.134 9.637 -7.614 1.00 0.00 H new ATOM 362 N ARG A 26 -6.508 6.594 -8.337 1.00 0.00 N ATOM 363 CA ARG A 26 -6.355 5.242 -7.815 1.00 0.00 C ATOM 364 C ARG A 26 -4.950 5.029 -7.259 1.00 0.00 C ATOM 365 O ARG A 26 -3.992 4.860 -8.014 1.00 0.00 O ATOM 366 CB ARG A 26 -6.644 4.214 -8.910 1.00 0.00 C ATOM 367 CG ARG A 26 -7.953 4.455 -9.644 1.00 0.00 C ATOM 368 CD ARG A 26 -7.715 4.860 -11.090 1.00 0.00 C ATOM 369 NE ARG A 26 -7.442 6.288 -11.221 1.00 0.00 N ATOM 370 CZ ARG A 26 -7.113 6.872 -12.368 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.018 6.152 -13.477 1.00 0.00 N ATOM 372 NH2 ARG A 26 -6.880 8.178 -12.407 1.00 0.00 N ATOM 0 H ARG A 26 -6.002 6.770 -9.205 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.071 5.109 -7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.826 4.224 -9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.665 3.219 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.560 3.550 -9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.518 5.235 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.876 4.292 -11.492 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.590 4.602 -11.687 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.507 6.870 -10.386 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.198 5.148 -13.450 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.765 6.602 -14.357 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.953 8.735 -11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.627 8.625 -13.288 1.00 0.00 H new ATOM 386 N VAL A 27 -4.834 5.038 -5.935 1.00 0.00 N ATOM 387 CA VAL A 27 -3.548 4.845 -5.279 1.00 0.00 C ATOM 388 C VAL A 27 -3.669 3.881 -4.104 1.00 0.00 C ATOM 389 O VAL A 27 -4.319 4.185 -3.102 1.00 0.00 O ATOM 390 CB VAL A 27 -2.969 6.180 -4.774 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.767 5.936 -3.874 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.595 7.075 -5.948 1.00 0.00 C ATOM 0 H VAL A 27 -5.617 5.177 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.874 4.423 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.733 6.689 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.372 6.891 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.071 5.336 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.996 5.406 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.187 8.014 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.847 6.574 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.482 7.278 -6.548 1.00 0.00 H new ATOM 402 N ILE A 28 -3.040 2.717 -4.232 1.00 0.00 N ATOM 403 CA ILE A 28 -3.076 1.710 -3.180 1.00 0.00 C ATOM 404 C ILE A 28 -2.072 2.029 -2.078 1.00 0.00 C ATOM 405 O ILE A 28 -0.863 1.885 -2.264 1.00 0.00 O ATOM 406 CB ILE A 28 -2.781 0.304 -3.737 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.791 -0.060 -4.827 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.807 -0.726 -2.617 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.192 -0.284 -4.300 1.00 0.00 C ATOM 0 H ILE A 28 -2.499 2.449 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.084 1.724 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.784 0.307 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.814 0.736 -5.571 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.454 -0.963 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.597 -1.714 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.052 -0.473 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.791 -0.729 -2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.855 -0.538 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.183 -1.100 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.548 0.625 -3.816 1.00 0.00 H new ATOM 421 N HIS A 29 -2.581 2.461 -0.928 1.00 0.00 N ATOM 422 CA HIS A 29 -1.729 2.799 0.206 1.00 0.00 C ATOM 423 C HIS A 29 -1.327 1.545 0.976 1.00 0.00 C ATOM 424 O HIS A 29 -2.178 0.835 1.516 1.00 0.00 O ATOM 425 CB HIS A 29 -2.447 3.775 1.138 1.00 0.00 C ATOM 426 CG HIS A 29 -1.524 4.523 2.048 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.858 5.725 2.636 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.272 4.233 2.472 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.850 6.144 3.381 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.124 5.256 3.299 1.00 0.00 N ATOM 0 H HIS A 29 -3.579 2.585 -0.757 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.826 3.273 -0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.010 4.490 0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.170 3.224 1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.308 3.360 2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.827 7.057 3.958 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.025 5.319 3.773 1.00 0.00 H new ATOM 438 N LEU A 30 -0.028 1.275 1.022 1.00 0.00 N ATOM 439 CA LEU A 30 0.487 0.106 1.726 1.00 0.00 C ATOM 440 C LEU A 30 1.312 0.520 2.941 1.00 0.00 C ATOM 441 O LEU A 30 2.436 1.005 2.804 1.00 0.00 O ATOM 442 CB LEU A 30 1.339 -0.746 0.783 1.00 0.00 C ATOM 443 CG LEU A 30 0.599 -1.403 -0.382 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.543 -1.632 -1.552 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.036 -2.714 0.060 1.00 0.00 C ATOM 0 H LEU A 30 0.689 1.850 0.580 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.363 -0.483 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.132 -0.119 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.821 -1.529 1.369 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.195 -0.731 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.999 -2.100 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.949 -0.677 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.359 -2.283 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.558 -3.167 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.740 -3.393 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.745 -2.522 0.865 1.00 0.00 H new ATOM 457 N SER A 31 0.748 0.324 4.128 1.00 0.00 N ATOM 458 CA SER A 31 1.429 0.679 5.367 1.00 0.00 C ATOM 459 C SER A 31 1.909 -0.570 6.099 1.00 0.00 C ATOM 460 O SER A 31 1.450 -1.678 5.826 1.00 0.00 O ATOM 461 CB SER A 31 0.499 1.489 6.272 1.00 0.00 C ATOM 462 OG SER A 31 0.153 2.725 5.672 1.00 0.00 O ATOM 0 H SER A 31 -0.180 -0.079 4.258 1.00 0.00 H new ATOM 0 HA SER A 31 2.297 1.287 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.405 0.915 6.477 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.986 1.670 7.230 1.00 0.00 H new ATOM 0 HG SER A 31 -0.443 3.223 6.269 1.00 0.00 H new ATOM 468 N ASN A 32 2.837 -0.382 7.031 1.00 0.00 N ATOM 469 CA ASN A 32 3.381 -1.493 7.804 1.00 0.00 C ATOM 470 C ASN A 32 4.095 -2.489 6.896 1.00 0.00 C ATOM 471 O ASN A 32 3.756 -3.673 6.867 1.00 0.00 O ATOM 472 CB ASN A 32 2.266 -2.198 8.577 1.00 0.00 C ATOM 473 CG ASN A 32 2.783 -2.936 9.797 1.00 0.00 C ATOM 474 OD1 ASN A 32 2.758 -2.413 10.911 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.258 -4.160 9.590 1.00 0.00 N ATOM 0 H ASN A 32 3.228 0.529 7.270 1.00 0.00 H new ATOM 0 HA ASN A 32 4.105 -1.090 8.512 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.523 -1.463 8.888 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.760 -2.903 7.917 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.621 -4.705 10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.259 -4.554 8.649 1.00 0.00 H new ATOM 482 N LEU A 33 5.084 -2.002 6.155 1.00 0.00 N ATOM 483 CA LEU A 33 5.847 -2.850 5.245 1.00 0.00 C ATOM 484 C LEU A 33 7.157 -3.298 5.886 1.00 0.00 C ATOM 485 O LEU A 33 7.701 -2.636 6.771 1.00 0.00 O ATOM 486 CB LEU A 33 6.134 -2.103 3.941 1.00 0.00 C ATOM 487 CG LEU A 33 4.921 -1.796 3.062 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.220 -0.636 2.127 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.509 -3.029 2.272 1.00 0.00 C ATOM 0 H LEU A 33 5.377 -1.025 6.166 1.00 0.00 H new ATOM 0 HA LEU A 33 5.250 -3.735 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.628 -1.162 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.841 -2.692 3.357 1.00 0.00 H new ATOM 0 HG LEU A 33 4.091 -1.510 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.345 -0.432 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.465 0.250 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.064 -0.893 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.644 -2.792 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.335 -3.346 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.252 -3.833 2.961 1.00 0.00 H new ATOM 501 N PRO A 34 7.677 -4.447 5.431 1.00 0.00 N ATOM 502 CA PRO A 34 8.929 -5.008 5.944 1.00 0.00 C ATOM 503 C PRO A 34 10.145 -4.182 5.535 1.00 0.00 C ATOM 504 O PRO A 34 10.014 -3.032 5.115 1.00 0.00 O ATOM 505 CB PRO A 34 8.987 -6.396 5.302 1.00 0.00 C ATOM 506 CG PRO A 34 8.171 -6.273 4.062 1.00 0.00 C ATOM 507 CD PRO A 34 7.081 -5.288 4.377 1.00 0.00 C ATOM 0 HA PRO A 34 8.950 -5.026 7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.013 -6.684 5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.583 -7.158 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.780 -5.926 3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.753 -7.237 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.805 -4.700 3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.176 -5.787 4.724 1.00 0.00 H new ATOM 515 N HIS A 35 11.327 -4.775 5.661 1.00 0.00 N ATOM 516 CA HIS A 35 12.566 -4.095 5.304 1.00 0.00 C ATOM 517 C HIS A 35 13.756 -5.047 5.392 1.00 0.00 C ATOM 518 O HIS A 35 14.704 -4.802 6.138 1.00 0.00 O ATOM 519 CB HIS A 35 12.794 -2.889 6.218 1.00 0.00 C ATOM 520 CG HIS A 35 13.301 -1.679 5.497 1.00 0.00 C ATOM 521 ND1 HIS A 35 12.495 -0.870 4.724 1.00 0.00 N ATOM 522 CD2 HIS A 35 14.541 -1.139 5.439 1.00 0.00 C ATOM 523 CE1 HIS A 35 13.218 0.114 4.219 1.00 0.00 C ATOM 524 NE2 HIS A 35 14.463 -0.026 4.638 1.00 0.00 N ATOM 0 H HIS A 35 11.453 -5.726 6.008 1.00 0.00 H new ATOM 0 HA HIS A 35 12.476 -3.749 4.274 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.857 -2.639 6.716 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.506 -3.163 6.996 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.427 -1.514 5.931 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.853 0.899 3.573 1.00 0.00 H new ATOM 0 HE2 HIS A 35 15.240 0.592 4.405 1.00 0.00 H new ATOM 532 N SER A 36 13.696 -6.132 4.629 1.00 0.00 N ATOM 533 CA SER A 36 14.765 -7.123 4.626 1.00 0.00 C ATOM 534 C SER A 36 15.523 -7.100 3.301 1.00 0.00 C ATOM 535 O SER A 36 16.119 -8.097 2.897 1.00 0.00 O ATOM 536 CB SER A 36 14.195 -8.521 4.876 1.00 0.00 C ATOM 537 OG SER A 36 14.343 -8.896 6.235 1.00 0.00 O ATOM 0 H SER A 36 12.919 -6.348 4.005 1.00 0.00 H new ATOM 0 HA SER A 36 15.460 -6.874 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.140 -8.541 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.704 -9.244 4.238 1.00 0.00 H new ATOM 0 HG SER A 36 13.970 -9.792 6.370 1.00 0.00 H new ATOM 543 N GLY A 37 15.493 -5.954 2.629 1.00 0.00 N ATOM 544 CA GLY A 37 16.180 -5.821 1.358 1.00 0.00 C ATOM 545 C GLY A 37 15.437 -6.498 0.224 1.00 0.00 C ATOM 546 O GLY A 37 16.046 -7.155 -0.622 1.00 0.00 O ATOM 0 H GLY A 37 15.005 -5.115 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.306 -4.764 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.178 -6.250 1.441 1.00 0.00 H new ATOM 550 N TYR A 38 14.118 -6.342 0.207 1.00 0.00 N ATOM 551 CA TYR A 38 13.291 -6.949 -0.829 1.00 0.00 C ATOM 552 C TYR A 38 13.148 -6.014 -2.028 1.00 0.00 C ATOM 553 O TYR A 38 13.323 -4.802 -1.909 1.00 0.00 O ATOM 554 CB TYR A 38 11.909 -7.295 -0.270 1.00 0.00 C ATOM 555 CG TYR A 38 11.200 -6.118 0.362 1.00 0.00 C ATOM 556 CD1 TYR A 38 11.382 -5.813 1.705 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.348 -5.312 -0.383 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.736 -4.740 2.288 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.698 -4.237 0.190 1.00 0.00 C ATOM 560 CZ TYR A 38 9.895 -3.954 1.526 1.00 0.00 C ATOM 561 OH TYR A 38 9.249 -2.884 2.101 1.00 0.00 O ATOM 0 H TYR A 38 13.599 -5.801 0.898 1.00 0.00 H new ATOM 0 HA TYR A 38 13.781 -7.864 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.290 -7.692 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.014 -8.086 0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.040 -6.425 2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.191 -5.530 -1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.888 -4.517 3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.039 -3.621 -0.404 1.00 0.00 H new ATOM 0 HH TYR A 38 9.444 -2.862 3.061 1.00 0.00 H new ATOM 571 N SER A 39 12.827 -6.590 -3.182 1.00 0.00 N ATOM 572 CA SER A 39 12.662 -5.811 -4.405 1.00 0.00 C ATOM 573 C SER A 39 11.259 -5.219 -4.487 1.00 0.00 C ATOM 574 O SER A 39 10.296 -5.804 -3.992 1.00 0.00 O ATOM 575 CB SER A 39 12.932 -6.685 -5.631 1.00 0.00 C ATOM 576 OG SER A 39 11.891 -7.626 -5.825 1.00 0.00 O ATOM 0 H SER A 39 12.676 -7.592 -3.296 1.00 0.00 H new ATOM 0 HA SER A 39 13.382 -4.993 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.028 -6.056 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.881 -7.208 -5.507 1.00 0.00 H new ATOM 0 HG SER A 39 12.086 -8.171 -6.616 1.00 0.00 H new ATOM 582 N ASP A 40 11.152 -4.053 -5.116 1.00 0.00 N ATOM 583 CA ASP A 40 9.867 -3.380 -5.264 1.00 0.00 C ATOM 584 C ASP A 40 8.801 -4.349 -5.764 1.00 0.00 C ATOM 585 O ASP A 40 7.671 -4.349 -5.276 1.00 0.00 O ATOM 586 CB ASP A 40 9.995 -2.200 -6.230 1.00 0.00 C ATOM 587 CG ASP A 40 10.653 -2.590 -7.538 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.898 -2.558 -7.608 1.00 0.00 O ATOM 589 OD2 ASP A 40 9.921 -2.929 -8.493 1.00 0.00 O ATOM 0 H ASP A 40 11.939 -3.555 -5.531 1.00 0.00 H new ATOM 0 HA ASP A 40 9.564 -3.008 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.005 -1.791 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.576 -1.408 -5.757 1.00 0.00 H new ATOM 594 N SER A 41 9.168 -5.173 -6.740 1.00 0.00 N ATOM 595 CA SER A 41 8.241 -6.144 -7.310 1.00 0.00 C ATOM 596 C SER A 41 7.491 -6.889 -6.209 1.00 0.00 C ATOM 597 O SER A 41 6.275 -7.068 -6.284 1.00 0.00 O ATOM 598 CB SER A 41 8.993 -7.140 -8.194 1.00 0.00 C ATOM 599 OG SER A 41 8.572 -7.042 -9.543 1.00 0.00 O ATOM 0 H SER A 41 10.101 -5.188 -7.153 1.00 0.00 H new ATOM 0 HA SER A 41 7.516 -5.604 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.065 -6.952 -8.129 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.825 -8.154 -7.830 1.00 0.00 H new ATOM 0 HG SER A 41 9.068 -7.687 -10.088 1.00 0.00 H new ATOM 605 N ALA A 42 8.225 -7.320 -5.189 1.00 0.00 N ATOM 606 CA ALA A 42 7.631 -8.044 -4.072 1.00 0.00 C ATOM 607 C ALA A 42 6.454 -7.274 -3.484 1.00 0.00 C ATOM 608 O ALA A 42 5.502 -7.867 -2.975 1.00 0.00 O ATOM 609 CB ALA A 42 8.677 -8.313 -3.001 1.00 0.00 C ATOM 0 H ALA A 42 9.233 -7.180 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 42 7.258 -8.997 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.219 -8.854 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.485 -8.911 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.078 -7.367 -2.638 1.00 0.00 H new ATOM 615 N VAL A 43 6.524 -5.948 -3.554 1.00 0.00 N ATOM 616 CA VAL A 43 5.464 -5.097 -3.028 1.00 0.00 C ATOM 617 C VAL A 43 4.322 -4.959 -4.030 1.00 0.00 C ATOM 618 O VAL A 43 3.185 -4.674 -3.655 1.00 0.00 O ATOM 619 CB VAL A 43 5.994 -3.695 -2.674 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.844 -2.708 -2.542 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.816 -3.743 -1.395 1.00 0.00 C ATOM 0 H VAL A 43 7.305 -5.440 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 43 5.093 -5.576 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 43 6.642 -3.356 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.237 -1.723 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.301 -2.653 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.168 -3.040 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.182 -2.744 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.194 -4.103 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.662 -4.417 -1.531 1.00 0.00 H new ATOM 631 N LEU A 44 4.634 -5.164 -5.305 1.00 0.00 N ATOM 632 CA LEU A 44 3.634 -5.063 -6.362 1.00 0.00 C ATOM 633 C LEU A 44 2.974 -6.414 -6.618 1.00 0.00 C ATOM 634 O LEU A 44 1.951 -6.499 -7.298 1.00 0.00 O ATOM 635 CB LEU A 44 4.276 -4.544 -7.650 1.00 0.00 C ATOM 636 CG LEU A 44 5.390 -3.512 -7.477 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.133 -3.303 -8.787 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.823 -2.195 -6.967 1.00 0.00 C ATOM 0 H LEU A 44 5.571 -5.401 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 44 2.867 -4.360 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.679 -5.395 -8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.495 -4.105 -8.270 1.00 0.00 H new ATOM 0 HG LEU A 44 6.097 -3.890 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.922 -2.565 -8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.573 -4.246 -9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.437 -2.948 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.631 -1.472 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.094 -1.812 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.338 -2.356 -6.004 1.00 0.00 H new ATOM 650 N LYS A 45 3.564 -7.470 -6.067 1.00 0.00 N ATOM 651 CA LYS A 45 3.033 -8.817 -6.231 1.00 0.00 C ATOM 652 C LYS A 45 1.608 -8.909 -5.696 1.00 0.00 C ATOM 653 O LYS A 45 0.817 -9.739 -6.146 1.00 0.00 O ATOM 654 CB LYS A 45 3.926 -9.831 -5.512 1.00 0.00 C ATOM 655 CG LYS A 45 4.614 -10.808 -6.449 1.00 0.00 C ATOM 656 CD LYS A 45 5.144 -12.019 -5.699 1.00 0.00 C ATOM 657 CE LYS A 45 5.185 -13.252 -6.589 1.00 0.00 C ATOM 658 NZ LYS A 45 6.314 -13.199 -7.560 1.00 0.00 N ATOM 0 H LYS A 45 4.412 -7.418 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 45 3.018 -9.047 -7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.683 -9.294 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.323 -10.390 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.912 -11.133 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.436 -10.307 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.145 -11.806 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.514 -12.216 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.280 -14.144 -5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.244 -13.340 -7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.307 -14.057 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.210 -12.362 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.214 -13.141 -7.043 1.00 0.00 H new ATOM 672 N LEU A 46 1.285 -8.051 -4.734 1.00 0.00 N ATOM 673 CA LEU A 46 -0.046 -8.034 -4.139 1.00 0.00 C ATOM 674 C LEU A 46 -1.011 -7.210 -4.985 1.00 0.00 C ATOM 675 O LEU A 46 -2.215 -7.192 -4.731 1.00 0.00 O ATOM 676 CB LEU A 46 0.016 -7.468 -2.719 1.00 0.00 C ATOM 677 CG LEU A 46 1.225 -6.589 -2.400 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.915 -5.656 -1.239 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.441 -7.448 -2.085 1.00 0.00 C ATOM 0 H LEU A 46 1.927 -7.358 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.412 -9.060 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.888 -6.886 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.002 -8.301 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 46 1.450 -5.983 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.787 -5.038 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.072 -5.016 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.663 -6.244 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.292 -6.805 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.226 -8.080 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.677 -8.075 -2.945 1.00 0.00 H new ATOM 691 N ALA A 47 -0.474 -6.532 -5.994 1.00 0.00 N ATOM 692 CA ALA A 47 -1.288 -5.710 -6.881 1.00 0.00 C ATOM 693 C ALA A 47 -1.130 -6.147 -8.334 1.00 0.00 C ATOM 694 O ALA A 47 -1.678 -5.524 -9.242 1.00 0.00 O ATOM 695 CB ALA A 47 -0.920 -4.242 -6.726 1.00 0.00 C ATOM 0 H ALA A 47 0.521 -6.536 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.333 -5.842 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.536 -3.640 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.092 -3.931 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.131 -4.102 -6.977 1.00 0.00 H new ATOM 701 N GLU A 48 -0.376 -7.222 -8.545 1.00 0.00 N ATOM 702 CA GLU A 48 -0.145 -7.739 -9.888 1.00 0.00 C ATOM 703 C GLU A 48 -1.406 -8.396 -10.442 1.00 0.00 C ATOM 704 O GLU A 48 -1.956 -7.979 -11.462 1.00 0.00 O ATOM 705 CB GLU A 48 1.006 -8.747 -9.879 1.00 0.00 C ATOM 706 CG GLU A 48 2.329 -8.166 -10.350 1.00 0.00 C ATOM 707 CD GLU A 48 3.161 -9.167 -11.129 1.00 0.00 C ATOM 708 OE1 GLU A 48 3.391 -10.279 -10.611 1.00 0.00 O ATOM 709 OE2 GLU A 48 3.583 -8.836 -12.258 1.00 0.00 O ATOM 0 H GLU A 48 0.084 -7.750 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 48 0.120 -6.901 -10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.129 -9.136 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.743 -9.592 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.137 -7.294 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.898 -7.820 -9.487 1.00 0.00 H new ATOM 716 N PRO A 49 -1.875 -9.449 -9.756 1.00 0.00 N ATOM 717 CA PRO A 49 -3.076 -10.185 -10.161 1.00 0.00 C ATOM 718 C PRO A 49 -4.350 -9.368 -9.970 1.00 0.00 C ATOM 719 O PRO A 49 -5.451 -9.846 -10.242 1.00 0.00 O ATOM 720 CB PRO A 49 -3.076 -11.402 -9.231 1.00 0.00 C ATOM 721 CG PRO A 49 -2.312 -10.959 -8.030 1.00 0.00 C ATOM 722 CD PRO A 49 -1.270 -9.999 -8.532 1.00 0.00 C ATOM 0 HA PRO A 49 -3.059 -10.440 -11.221 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.091 -11.699 -8.967 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.605 -12.263 -9.705 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.969 -10.478 -7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.850 -11.808 -7.527 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.059 -9.218 -7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.327 -10.503 -8.742 1.00 0.00 H new ATOM 730 N TYR A 50 -4.190 -8.136 -9.501 1.00 0.00 N ATOM 731 CA TYR A 50 -5.328 -7.253 -9.272 1.00 0.00 C ATOM 732 C TYR A 50 -5.518 -6.293 -10.442 1.00 0.00 C ATOM 733 O TYR A 50 -6.643 -5.975 -10.823 1.00 0.00 O ATOM 734 CB TYR A 50 -5.136 -6.464 -7.976 1.00 0.00 C ATOM 735 CG TYR A 50 -5.289 -7.303 -6.727 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.199 -7.962 -6.172 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.522 -7.437 -6.103 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.334 -8.731 -5.032 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.667 -8.202 -4.962 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.570 -8.847 -4.431 1.00 0.00 C ATOM 741 OH TYR A 50 -5.710 -9.611 -3.295 1.00 0.00 O ATOM 0 H TYR A 50 -3.285 -7.726 -9.272 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.222 -7.871 -9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.145 -6.011 -7.980 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.859 -5.649 -7.947 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.230 -7.872 -6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.383 -6.934 -6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.477 -9.238 -4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.633 -8.294 -4.489 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.604 -10.011 -3.278 1.00 0.00 H new ATOM 751 N GLY A 51 -4.406 -5.835 -11.009 1.00 0.00 N ATOM 752 CA GLY A 51 -4.469 -4.916 -12.130 1.00 0.00 C ATOM 753 C GLY A 51 -3.095 -4.517 -12.632 1.00 0.00 C ATOM 754 O GLY A 51 -2.087 -4.770 -11.971 1.00 0.00 O ATOM 0 H GLY A 51 -3.463 -6.084 -10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.029 -5.378 -12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.017 -4.022 -11.832 1.00 0.00 H new ATOM 758 N LYS A 52 -3.052 -3.893 -13.803 1.00 0.00 N ATOM 759 CA LYS A 52 -1.792 -3.459 -14.394 1.00 0.00 C ATOM 760 C LYS A 52 -1.174 -2.324 -13.584 1.00 0.00 C ATOM 761 O LYS A 52 -1.786 -1.270 -13.407 1.00 0.00 O ATOM 762 CB LYS A 52 -2.012 -3.006 -15.840 1.00 0.00 C ATOM 763 CG LYS A 52 -1.327 -3.892 -16.866 1.00 0.00 C ATOM 764 CD LYS A 52 -0.594 -3.070 -17.912 1.00 0.00 C ATOM 765 CE LYS A 52 -0.348 -3.872 -19.180 1.00 0.00 C ATOM 766 NZ LYS A 52 0.764 -3.302 -19.990 1.00 0.00 N ATOM 0 H LYS A 52 -3.877 -3.676 -14.363 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.105 -4.305 -14.385 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.082 -2.986 -16.047 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.646 -1.985 -15.952 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.622 -4.555 -16.363 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.068 -4.526 -17.354 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.177 -2.180 -18.151 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.358 -2.728 -17.506 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.114 -4.904 -18.917 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.259 -3.894 -19.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.900 -3.877 -20.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.530 -2.326 -20.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.639 -3.304 -19.428 1.00 0.00 H new ATOM 780 N ILE A 53 0.041 -2.546 -13.096 1.00 0.00 N ATOM 781 CA ILE A 53 0.742 -1.540 -12.307 1.00 0.00 C ATOM 782 C ILE A 53 1.239 -0.399 -13.186 1.00 0.00 C ATOM 783 O ILE A 53 2.308 -0.485 -13.792 1.00 0.00 O ATOM 784 CB ILE A 53 1.939 -2.150 -11.553 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.479 -3.325 -10.687 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.623 -1.093 -10.700 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.464 -4.473 -10.654 1.00 0.00 C ATOM 0 H ILE A 53 0.561 -3.413 -13.233 1.00 0.00 H new ATOM 0 HA ILE A 53 0.025 -1.152 -11.583 1.00 0.00 H new ATOM 0 HB ILE A 53 2.658 -2.520 -12.283 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.311 -2.972 -9.670 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.522 -3.689 -11.061 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.466 -1.540 -10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.981 -0.285 -11.339 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.913 -0.695 -9.975 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.073 -5.270 -10.022 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.615 -4.852 -11.665 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.415 -4.125 -10.252 1.00 0.00 H new ATOM 799 N LYS A 54 0.456 0.673 -13.254 1.00 0.00 N ATOM 800 CA LYS A 54 0.816 1.835 -14.057 1.00 0.00 C ATOM 801 C LYS A 54 1.915 2.647 -13.378 1.00 0.00 C ATOM 802 O LYS A 54 2.656 3.376 -14.035 1.00 0.00 O ATOM 803 CB LYS A 54 -0.412 2.718 -14.292 1.00 0.00 C ATOM 804 CG LYS A 54 -0.897 2.713 -15.732 1.00 0.00 C ATOM 805 CD LYS A 54 -1.605 1.414 -16.078 1.00 0.00 C ATOM 806 CE LYS A 54 -1.261 0.949 -17.484 1.00 0.00 C ATOM 807 NZ LYS A 54 -2.403 1.129 -18.423 1.00 0.00 N ATOM 0 H LYS A 54 -0.433 0.761 -12.762 1.00 0.00 H new ATOM 0 HA LYS A 54 1.191 1.480 -15.017 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.221 2.381 -13.644 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.175 3.741 -14.001 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.575 3.551 -15.891 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.050 2.856 -16.403 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.325 0.643 -15.360 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.683 1.552 -15.993 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.399 1.506 -17.850 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.974 -0.102 -17.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.787 0.199 -18.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.146 1.692 -17.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.075 1.622 -19.278 1.00 0.00 H new ATOM 821 N ASN A 55 2.015 2.514 -12.059 1.00 0.00 N ATOM 822 CA ASN A 55 3.024 3.234 -11.292 1.00 0.00 C ATOM 823 C ASN A 55 3.087 2.719 -9.857 1.00 0.00 C ATOM 824 O ASN A 55 2.100 2.209 -9.327 1.00 0.00 O ATOM 825 CB ASN A 55 2.724 4.734 -11.296 1.00 0.00 C ATOM 826 CG ASN A 55 3.947 5.568 -11.620 1.00 0.00 C ATOM 827 OD1 ASN A 55 4.276 5.781 -12.788 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.630 6.045 -10.586 1.00 0.00 N ATOM 0 H ASN A 55 1.409 1.914 -11.499 1.00 0.00 H new ATOM 0 HA ASN A 55 3.992 3.064 -11.763 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.942 4.943 -12.026 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.336 5.027 -10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.463 6.612 -10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.322 5.844 -9.635 1.00 0.00 H new ATOM 835 N TYR A 56 4.252 2.859 -9.234 1.00 0.00 N ATOM 836 CA TYR A 56 4.443 2.407 -7.861 1.00 0.00 C ATOM 837 C TYR A 56 5.466 3.279 -7.139 1.00 0.00 C ATOM 838 O TYR A 56 6.366 3.843 -7.761 1.00 0.00 O ATOM 839 CB TYR A 56 4.897 0.947 -7.842 1.00 0.00 C ATOM 840 CG TYR A 56 6.376 0.768 -8.096 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.877 0.722 -9.391 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.273 0.646 -7.042 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.228 0.558 -9.629 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.626 0.483 -7.270 1.00 0.00 C ATOM 845 CZ TYR A 56 9.098 0.440 -8.565 1.00 0.00 C ATOM 846 OH TYR A 56 10.446 0.277 -8.796 1.00 0.00 O ATOM 0 H TYR A 56 5.078 3.282 -9.658 1.00 0.00 H new ATOM 0 HA TYR A 56 3.489 2.491 -7.341 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.648 0.511 -6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.338 0.392 -8.595 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.199 0.816 -10.226 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.906 0.679 -6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.601 0.522 -10.642 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.310 0.390 -6.439 1.00 0.00 H new ATOM 0 HH TYR A 56 10.919 0.211 -7.940 1.00 0.00 H new ATOM 856 N ILE A 57 5.320 3.383 -5.823 1.00 0.00 N ATOM 857 CA ILE A 57 6.231 4.184 -5.015 1.00 0.00 C ATOM 858 C ILE A 57 6.681 3.421 -3.774 1.00 0.00 C ATOM 859 O ILE A 57 5.862 3.032 -2.939 1.00 0.00 O ATOM 860 CB ILE A 57 5.580 5.510 -4.580 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.533 6.489 -5.755 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.342 6.116 -3.411 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.821 7.254 -5.958 1.00 0.00 C ATOM 0 H ILE A 57 4.580 2.923 -5.293 1.00 0.00 H new ATOM 0 HA ILE A 57 7.098 4.402 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 57 4.559 5.307 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.300 5.939 -6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.721 7.198 -5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.870 7.053 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.330 5.422 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.373 6.308 -3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.714 7.928 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.046 7.832 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.634 6.554 -6.151 1.00 0.00 H new ATOM 875 N LEU A 58 7.987 3.210 -3.657 1.00 0.00 N ATOM 876 CA LEU A 58 8.548 2.494 -2.515 1.00 0.00 C ATOM 877 C LEU A 58 9.327 3.441 -1.608 1.00 0.00 C ATOM 878 O LEU A 58 10.491 3.746 -1.866 1.00 0.00 O ATOM 879 CB LEU A 58 9.459 1.363 -2.995 1.00 0.00 C ATOM 880 CG LEU A 58 9.007 -0.056 -2.649 1.00 0.00 C ATOM 881 CD1 LEU A 58 8.935 -0.241 -1.142 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.661 -0.357 -3.291 1.00 0.00 C ATOM 0 H LEU A 58 8.678 3.524 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 58 7.723 2.069 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.557 1.438 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.452 1.519 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 58 9.741 -0.758 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.612 -1.257 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.919 -0.068 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.222 0.469 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.354 -1.371 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.917 0.351 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.746 -0.267 -4.374 1.00 0.00 H new ATOM 894 N MET A 59 8.678 3.901 -0.544 1.00 0.00 N ATOM 895 CA MET A 59 9.312 4.811 0.404 1.00 0.00 C ATOM 896 C MET A 59 9.862 4.047 1.604 1.00 0.00 C ATOM 897 O MET A 59 9.127 3.336 2.290 1.00 0.00 O ATOM 898 CB MET A 59 8.313 5.870 0.872 1.00 0.00 C ATOM 899 CG MET A 59 7.662 6.639 -0.266 1.00 0.00 C ATOM 900 SD MET A 59 6.755 8.088 0.304 1.00 0.00 S ATOM 901 CE MET A 59 5.789 8.477 -1.155 1.00 0.00 C ATOM 0 H MET A 59 7.714 3.659 -0.316 1.00 0.00 H new ATOM 0 HA MET A 59 10.142 5.304 -0.102 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.536 5.387 1.464 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.824 6.574 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.430 6.951 -0.974 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.982 5.978 -0.804 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.096 9.287 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.455 8.786 -1.961 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.228 7.596 -1.466 1.00 0.00 H new ATOM 911 N ARG A 60 11.159 4.199 1.852 1.00 0.00 N ATOM 912 CA ARG A 60 11.807 3.524 2.969 1.00 0.00 C ATOM 913 C ARG A 60 11.626 4.314 4.262 1.00 0.00 C ATOM 914 O ARG A 60 11.816 3.784 5.357 1.00 0.00 O ATOM 915 CB ARG A 60 13.298 3.332 2.681 1.00 0.00 C ATOM 916 CG ARG A 60 14.082 4.632 2.638 1.00 0.00 C ATOM 917 CD ARG A 60 15.550 4.387 2.322 1.00 0.00 C ATOM 918 NE ARG A 60 16.148 5.505 1.597 1.00 0.00 N ATOM 919 CZ ARG A 60 17.433 5.566 1.271 1.00 0.00 C ATOM 920 NH1 ARG A 60 18.253 4.577 1.604 1.00 0.00 N ATOM 921 NH2 ARG A 60 17.903 6.616 0.610 1.00 0.00 N ATOM 0 H ARG A 60 11.781 4.784 1.294 1.00 0.00 H new ATOM 0 HA ARG A 60 11.338 2.548 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.727 2.684 3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.412 2.817 1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.652 5.293 1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.995 5.142 3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 60 16.098 4.222 3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.646 3.477 1.729 1.00 0.00 H new ATOM 0 HE ARG A 60 15.545 6.282 1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.896 3.768 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.240 4.626 1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.276 7.378 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 60 18.891 6.661 0.360 1.00 0.00 H new ATOM 935 N MET A 61 11.260 5.584 4.127 1.00 0.00 N ATOM 936 CA MET A 61 11.053 6.446 5.284 1.00 0.00 C ATOM 937 C MET A 61 10.359 5.688 6.411 1.00 0.00 C ATOM 938 O MET A 61 11.007 5.204 7.339 1.00 0.00 O ATOM 939 CB MET A 61 10.225 7.672 4.892 1.00 0.00 C ATOM 940 CG MET A 61 11.035 8.957 4.826 1.00 0.00 C ATOM 941 SD MET A 61 12.214 8.965 3.462 1.00 0.00 S ATOM 942 CE MET A 61 13.763 8.838 4.351 1.00 0.00 C ATOM 0 H MET A 61 11.101 6.039 3.228 1.00 0.00 H new ATOM 0 HA MET A 61 12.030 6.775 5.640 1.00 0.00 H new ATOM 0 HB2 MET A 61 9.763 7.493 3.921 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.416 7.799 5.611 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.357 9.804 4.720 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.571 9.093 5.765 1.00 0.00 H new ATOM 0 HE1 MET A 61 14.467 8.240 3.772 1.00 0.00 H new ATOM 0 HE2 MET A 61 14.176 9.835 4.506 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.591 8.362 5.316 1.00 0.00 H new ATOM 952 N LYS A 62 9.037 5.588 6.324 1.00 0.00 N ATOM 953 CA LYS A 62 8.253 4.888 7.334 1.00 0.00 C ATOM 954 C LYS A 62 7.749 3.551 6.801 1.00 0.00 C ATOM 955 O LYS A 62 6.704 3.057 7.225 1.00 0.00 O ATOM 956 CB LYS A 62 7.070 5.751 7.780 1.00 0.00 C ATOM 957 CG LYS A 62 7.483 7.042 8.465 1.00 0.00 C ATOM 958 CD LYS A 62 6.365 8.070 8.434 1.00 0.00 C ATOM 959 CE LYS A 62 6.657 9.239 9.364 1.00 0.00 C ATOM 960 NZ LYS A 62 6.822 10.515 8.615 1.00 0.00 N ATOM 0 H LYS A 62 8.485 5.984 5.563 1.00 0.00 H new ATOM 0 HA LYS A 62 8.898 4.697 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.458 5.991 6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.445 5.172 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.760 6.834 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.367 7.449 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.235 8.437 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.427 7.598 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.845 9.343 10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.563 9.032 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.020 11.287 9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.613 10.425 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.948 10.726 8.091 1.00 0.00 H new ATOM 974 N SER A 63 8.498 2.969 5.870 1.00 0.00 N ATOM 975 CA SER A 63 8.126 1.690 5.277 1.00 0.00 C ATOM 976 C SER A 63 6.766 1.784 4.593 1.00 0.00 C ATOM 977 O SER A 63 5.943 0.874 4.696 1.00 0.00 O ATOM 978 CB SER A 63 8.096 0.598 6.348 1.00 0.00 C ATOM 979 OG SER A 63 9.321 -0.113 6.387 1.00 0.00 O ATOM 0 H SER A 63 9.367 3.363 5.510 1.00 0.00 H new ATOM 0 HA SER A 63 8.874 1.434 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.901 1.046 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.278 -0.093 6.145 1.00 0.00 H new ATOM 0 HG SER A 63 9.141 -1.068 6.516 1.00 0.00 H new ATOM 985 N GLN A 64 6.537 2.891 3.894 1.00 0.00 N ATOM 986 CA GLN A 64 5.277 3.105 3.193 1.00 0.00 C ATOM 987 C GLN A 64 5.472 3.012 1.683 1.00 0.00 C ATOM 988 O GLN A 64 6.575 3.213 1.176 1.00 0.00 O ATOM 989 CB GLN A 64 4.690 4.469 3.560 1.00 0.00 C ATOM 990 CG GLN A 64 4.376 4.617 5.040 1.00 0.00 C ATOM 991 CD GLN A 64 3.451 5.783 5.326 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.604 5.714 6.217 1.00 0.00 O ATOM 993 NE2 GLN A 64 3.609 6.865 4.570 1.00 0.00 N ATOM 0 H GLN A 64 7.208 3.653 3.798 1.00 0.00 H new ATOM 0 HA GLN A 64 4.582 2.324 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.393 5.249 3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.778 4.629 2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.918 3.697 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.306 4.751 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.324 6.879 3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.015 7.681 4.717 1.00 0.00 H new ATOM 1002 N ALA A 65 4.393 2.705 0.970 1.00 0.00 N ATOM 1003 CA ALA A 65 4.445 2.587 -0.482 1.00 0.00 C ATOM 1004 C ALA A 65 3.082 2.867 -1.105 1.00 0.00 C ATOM 1005 O ALA A 65 2.044 2.626 -0.487 1.00 0.00 O ATOM 1006 CB ALA A 65 4.936 1.203 -0.881 1.00 0.00 C ATOM 0 H ALA A 65 3.472 2.534 1.374 1.00 0.00 H new ATOM 0 HA ALA A 65 5.146 3.332 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.970 1.128 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.934 1.040 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.256 0.448 -0.487 1.00 0.00 H new ATOM 1012 N PHE A 66 3.090 3.376 -2.332 1.00 0.00 N ATOM 1013 CA PHE A 66 1.853 3.691 -3.038 1.00 0.00 C ATOM 1014 C PHE A 66 1.870 3.112 -4.450 1.00 0.00 C ATOM 1015 O PHE A 66 2.678 3.515 -5.287 1.00 0.00 O ATOM 1016 CB PHE A 66 1.647 5.205 -3.098 1.00 0.00 C ATOM 1017 CG PHE A 66 1.687 5.871 -1.753 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.898 6.156 -1.143 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.515 6.211 -1.098 1.00 0.00 C ATOM 1020 CE1 PHE A 66 2.937 6.768 0.097 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.548 6.823 0.141 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.761 7.102 0.738 1.00 0.00 C ATOM 0 H PHE A 66 3.939 3.579 -2.859 1.00 0.00 H new ATOM 0 HA PHE A 66 1.026 3.240 -2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.416 5.643 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.687 5.414 -3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.821 5.898 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.437 5.995 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.887 6.984 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.373 7.082 0.641 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.790 7.581 1.706 1.00 0.00 H new ATOM 1032 N ILE A 67 0.975 2.164 -4.705 1.00 0.00 N ATOM 1033 CA ILE A 67 0.886 1.529 -6.014 1.00 0.00 C ATOM 1034 C ILE A 67 -0.375 1.966 -6.752 1.00 0.00 C ATOM 1035 O ILE A 67 -1.491 1.720 -6.293 1.00 0.00 O ATOM 1036 CB ILE A 67 0.894 -0.006 -5.896 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.082 -0.469 -5.051 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.939 -0.643 -7.277 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.969 -1.904 -4.584 1.00 0.00 C ATOM 0 H ILE A 67 0.301 1.818 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 67 1.762 1.846 -6.579 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.024 -0.322 -5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.997 -0.356 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.174 0.181 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.944 -1.728 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.063 -0.335 -7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.842 -0.322 -7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.846 -2.164 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.072 -2.019 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.908 -2.564 -5.449 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.189 2.612 -7.898 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.313 3.082 -8.701 1.00 0.00 C ATOM 1053 C GLU A 68 -1.745 2.019 -9.706 1.00 0.00 C ATOM 1054 O GLU A 68 -1.080 1.800 -10.719 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.941 4.372 -9.434 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.985 4.823 -10.440 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.667 6.177 -11.046 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.908 6.943 -10.418 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.178 6.469 -12.147 1.00 0.00 O ATOM 0 H GLU A 68 0.728 2.822 -8.292 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.148 3.283 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.788 5.165 -8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.009 4.226 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.061 4.082 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.959 4.867 -9.952 1.00 0.00 H new ATOM 1066 N MET A 69 -2.863 1.360 -9.419 1.00 0.00 N ATOM 1067 CA MET A 69 -3.384 0.321 -10.298 1.00 0.00 C ATOM 1068 C MET A 69 -3.791 0.904 -11.648 1.00 0.00 C ATOM 1069 O MET A 69 -3.847 2.121 -11.816 1.00 0.00 O ATOM 1070 CB MET A 69 -4.584 -0.372 -9.648 1.00 0.00 C ATOM 1071 CG MET A 69 -4.275 -0.968 -8.284 1.00 0.00 C ATOM 1072 SD MET A 69 -4.790 -2.691 -8.146 1.00 0.00 S ATOM 1073 CE MET A 69 -3.594 -3.488 -9.215 1.00 0.00 C ATOM 0 H MET A 69 -3.425 1.528 -8.584 1.00 0.00 H new ATOM 0 HA MET A 69 -2.593 -0.411 -10.461 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.397 0.347 -9.546 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.939 -1.163 -10.309 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.204 -0.897 -8.095 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.775 -0.381 -7.514 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.653 -4.569 -9.085 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.809 -3.235 -10.253 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.591 -3.146 -8.958 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.071 0.026 -12.607 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.469 0.455 -13.941 1.00 0.00 C ATOM 1085 C GLU A 70 -5.874 1.049 -13.925 1.00 0.00 C ATOM 1086 O GLU A 70 -6.132 2.083 -14.543 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.413 -0.722 -14.918 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.662 -0.327 -16.364 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.489 -1.352 -17.115 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -5.235 -2.562 -16.938 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -6.388 -0.945 -17.879 1.00 0.00 O ATOM 0 H GLU A 70 -4.029 -0.986 -12.484 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.771 1.225 -14.270 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.435 -1.198 -14.844 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.153 -1.465 -14.621 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.172 0.636 -16.391 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.706 -0.196 -16.871 1.00 0.00 H new ATOM 1098 N THR A 71 -6.782 0.388 -13.214 1.00 0.00 N ATOM 1099 CA THR A 71 -8.161 0.849 -13.117 1.00 0.00 C ATOM 1100 C THR A 71 -8.651 0.821 -11.673 1.00 0.00 C ATOM 1101 O THR A 71 -8.004 0.242 -10.800 1.00 0.00 O ATOM 1102 CB THR A 71 -9.103 -0.011 -13.982 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.640 -1.085 -13.203 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.366 -0.571 -15.189 1.00 0.00 C ATOM 0 H THR A 71 -6.587 -0.469 -12.697 1.00 0.00 H new ATOM 0 HA THR A 71 -8.177 1.875 -13.484 1.00 0.00 H new ATOM 0 HB THR A 71 -9.917 0.622 -14.334 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.108 -1.714 -13.791 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.050 -1.175 -15.785 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.984 0.250 -15.795 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.535 -1.191 -14.852 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.796 1.450 -11.429 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.372 1.497 -10.091 1.00 0.00 C ATOM 1114 C ARG A 72 -10.801 0.106 -9.634 1.00 0.00 C ATOM 1115 O ARG A 72 -10.612 -0.264 -8.476 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.569 2.448 -10.060 1.00 0.00 C ATOM 1117 CG ARG A 72 -12.206 2.582 -8.686 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.305 4.037 -8.258 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.472 4.282 -7.415 1.00 0.00 N ATOM 1120 CZ ARG A 72 -13.715 5.441 -6.812 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -12.875 6.456 -6.960 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -14.798 5.585 -6.060 1.00 0.00 N ATOM 0 H ARG A 72 -10.343 1.934 -12.141 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.607 1.865 -9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.249 3.433 -10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.320 2.096 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.201 2.137 -8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.619 2.026 -7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.402 4.318 -7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.357 4.672 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.138 3.521 -7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.041 6.348 -7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.063 7.345 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.446 4.806 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.983 6.475 -5.598 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.383 -0.659 -10.553 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.842 -2.009 -10.244 1.00 0.00 C ATOM 1138 C GLU A 73 -10.780 -2.778 -9.463 1.00 0.00 C ATOM 1139 O GLU A 73 -11.087 -3.461 -8.486 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.189 -2.760 -11.530 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.662 -2.694 -11.895 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.347 -4.043 -11.806 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -13.661 -5.070 -11.998 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -15.568 -4.074 -11.546 1.00 0.00 O ATOM 0 H GLU A 73 -11.548 -0.367 -11.516 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.737 -1.929 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.601 -2.349 -12.351 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.897 -3.804 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.165 -1.991 -11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.764 -2.305 -12.908 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.531 -2.663 -9.902 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.424 -3.346 -9.245 1.00 0.00 C ATOM 1153 C ASP A 74 -8.112 -2.705 -7.896 1.00 0.00 C ATOM 1154 O ASP A 74 -8.330 -3.307 -6.846 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.180 -3.321 -10.135 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.500 -3.631 -11.585 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.365 -4.498 -11.828 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.884 -3.008 -12.474 1.00 0.00 O ATOM 0 H ASP A 74 -9.261 -2.103 -10.710 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.719 -4.381 -9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.711 -2.339 -10.071 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.456 -4.045 -9.763 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.599 -1.479 -7.934 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.258 -0.755 -6.715 1.00 0.00 C ATOM 1165 C ALA A 75 -8.266 -1.041 -5.608 1.00 0.00 C ATOM 1166 O ALA A 75 -7.893 -1.226 -4.449 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.184 0.739 -6.992 1.00 0.00 C ATOM 0 H ALA A 75 -7.411 -0.967 -8.796 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.280 -1.099 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.929 1.267 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.421 0.932 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.150 1.090 -7.356 1.00 0.00 H new ATOM 1173 N MET A 76 -9.544 -1.076 -5.971 1.00 0.00 N ATOM 1174 CA MET A 76 -10.605 -1.340 -5.006 1.00 0.00 C ATOM 1175 C MET A 76 -10.618 -2.810 -4.601 1.00 0.00 C ATOM 1176 O MET A 76 -10.746 -3.136 -3.421 1.00 0.00 O ATOM 1177 CB MET A 76 -11.964 -0.948 -5.590 1.00 0.00 C ATOM 1178 CG MET A 76 -12.035 0.499 -6.049 1.00 0.00 C ATOM 1179 SD MET A 76 -12.848 1.569 -4.847 1.00 0.00 S ATOM 1180 CE MET A 76 -11.758 2.990 -4.867 1.00 0.00 C ATOM 0 H MET A 76 -9.870 -0.925 -6.926 1.00 0.00 H new ATOM 0 HA MET A 76 -10.412 -0.738 -4.118 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.189 -1.600 -6.434 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.736 -1.121 -4.840 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.026 0.867 -6.234 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.572 0.550 -6.996 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.239 3.064 -3.911 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.028 2.878 -5.669 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.343 3.895 -5.033 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.483 -3.692 -5.585 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.477 -5.127 -5.329 1.00 0.00 C ATOM 1192 C ALA A 77 -9.351 -5.510 -4.374 1.00 0.00 C ATOM 1193 O ALA A 77 -9.482 -6.451 -3.592 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.347 -5.896 -6.636 1.00 0.00 C ATOM 0 H ALA A 77 -10.376 -3.438 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.424 -5.391 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.344 -6.966 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.188 -5.654 -7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.416 -5.619 -7.130 1.00 0.00 H new ATOM 1200 N MET A 78 -8.246 -4.776 -4.444 1.00 0.00 N ATOM 1201 CA MET A 78 -7.099 -5.038 -3.584 1.00 0.00 C ATOM 1202 C MET A 78 -7.407 -4.667 -2.137 1.00 0.00 C ATOM 1203 O MET A 78 -7.323 -5.505 -1.238 1.00 0.00 O ATOM 1204 CB MET A 78 -5.878 -4.258 -4.074 1.00 0.00 C ATOM 1205 CG MET A 78 -4.560 -4.786 -3.531 1.00 0.00 C ATOM 1206 SD MET A 78 -3.129 -3.971 -4.265 1.00 0.00 S ATOM 1207 CE MET A 78 -1.861 -4.367 -3.063 1.00 0.00 C ATOM 0 H MET A 78 -8.121 -3.995 -5.088 1.00 0.00 H new ATOM 0 HA MET A 78 -6.881 -6.105 -3.628 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.851 -4.289 -5.163 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.986 -3.212 -3.787 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.536 -4.649 -2.450 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.498 -5.858 -3.718 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.526 -3.453 -2.572 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.267 -5.051 -2.318 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.017 -4.838 -3.566 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.763 -3.405 -1.918 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.084 -2.922 -0.580 1.00 0.00 C ATOM 1219 C VAL A 79 -9.222 -3.729 0.037 1.00 0.00 C ATOM 1220 O VAL A 79 -9.286 -3.901 1.255 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.479 -1.434 -0.599 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.403 -0.606 -1.287 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.825 -1.248 -1.283 1.00 0.00 C ATOM 0 H VAL A 79 -7.836 -2.699 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.185 -3.044 0.024 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.570 -1.087 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.699 0.443 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.461 -0.715 -0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.278 -0.952 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.088 -0.190 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.765 -1.611 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.588 -1.809 -0.744 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.116 -4.224 -0.811 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.252 -5.014 -0.351 1.00 0.00 C ATOM 1235 C ASP A 80 -10.792 -6.373 0.169 1.00 0.00 C ATOM 1236 O ASP A 80 -11.137 -6.774 1.281 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.262 -5.204 -1.482 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.654 -4.739 -1.100 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -13.969 -4.746 0.109 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.429 -4.371 -2.007 1.00 0.00 O ATOM 0 H ASP A 80 -10.076 -4.092 -1.822 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.731 -4.474 0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.927 -4.653 -2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.298 -6.257 -1.760 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.012 -7.079 -0.643 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.505 -8.393 -0.266 1.00 0.00 C ATOM 1247 C HIS A 81 -8.783 -8.332 1.077 1.00 0.00 C ATOM 1248 O HIS A 81 -8.582 -9.356 1.732 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.559 -8.927 -1.342 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.509 -10.423 -1.408 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -7.362 -11.148 -1.165 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -9.474 -11.329 -1.689 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -7.623 -12.437 -1.295 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -8.898 -12.574 -1.612 1.00 0.00 N ATOM 0 H HIS A 81 -9.717 -6.763 -1.567 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.355 -9.069 -0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.870 -8.539 -2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.555 -8.546 -1.153 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.505 -11.114 -1.929 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.914 -13.241 -1.164 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.377 -13.460 -1.773 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.396 -7.127 1.481 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.695 -6.933 2.745 1.00 0.00 C ATOM 1264 C CYS A 82 -8.682 -6.775 3.896 1.00 0.00 C ATOM 1265 O CYS A 82 -8.393 -7.149 5.033 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.787 -5.706 2.664 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.037 -5.237 4.241 1.00 0.00 S ATOM 0 H CYS A 82 -8.556 -6.270 0.952 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.085 -7.816 2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.995 -5.901 1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.365 -4.864 2.284 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.691 -5.796 5.216 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.850 -6.218 3.594 1.00 0.00 N ATOM 1274 CA LEU A 83 -10.882 -6.008 4.604 1.00 0.00 C ATOM 1275 C LEU A 83 -11.425 -7.339 5.112 1.00 0.00 C ATOM 1276 O LEU A 83 -11.424 -7.606 6.314 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.022 -5.164 4.030 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.666 -3.726 3.648 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.534 -3.251 2.493 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.817 -2.803 4.847 1.00 0.00 C ATOM 0 H LEU A 83 -10.106 -5.904 2.658 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.432 -5.476 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.411 -5.668 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.830 -5.135 4.761 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.625 -3.702 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.267 -2.226 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.375 -3.896 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.583 -3.290 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.560 -1.784 4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.848 -2.830 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.152 -3.132 5.645 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.890 -8.174 4.188 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.433 -9.480 4.540 1.00 0.00 C ATOM 1294 C LYS A 84 -11.341 -10.396 5.082 1.00 0.00 C ATOM 1295 O LYS A 84 -11.533 -11.083 6.087 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.096 -10.126 3.320 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.210 -9.287 2.719 1.00 0.00 C ATOM 1298 CD LYS A 84 -13.687 -8.355 1.639 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.282 -8.687 0.280 1.00 0.00 C ATOM 1300 NZ LYS A 84 -13.377 -9.554 -0.525 1.00 0.00 N ATOM 0 H LYS A 84 -11.901 -7.969 3.189 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.181 -9.336 5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.338 -10.308 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.498 -11.097 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.973 -9.942 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.690 -8.702 3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.926 -7.324 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.601 -8.428 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.240 -9.189 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.480 -7.764 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.819 -9.758 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.472 -9.065 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.208 -10.446 -0.017 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.193 -10.401 4.413 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.068 -11.230 4.829 1.00 0.00 C ATOM 1316 C LYS A 85 -7.821 -10.382 5.054 1.00 0.00 C ATOM 1317 O LYS A 85 -7.614 -9.375 4.377 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.784 -12.305 3.778 1.00 0.00 C ATOM 1319 CG LYS A 85 -9.989 -13.172 3.454 1.00 0.00 C ATOM 1320 CD LYS A 85 -9.896 -14.531 4.129 1.00 0.00 C ATOM 1321 CE LYS A 85 -11.125 -15.380 3.843 1.00 0.00 C ATOM 1322 NZ LYS A 85 -10.919 -16.279 2.674 1.00 0.00 N ATOM 0 H LYS A 85 -10.017 -9.840 3.580 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.333 -11.712 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.436 -11.824 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.973 -12.942 4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.899 -12.666 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.063 -13.305 2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.004 -15.051 3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.787 -14.397 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.366 -15.977 4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.980 -14.730 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.779 -16.841 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.714 -15.708 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.120 -16.917 2.863 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.992 -10.797 6.005 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.763 -10.077 6.316 1.00 0.00 C ATOM 1338 C ALA A 86 -4.700 -10.320 5.249 1.00 0.00 C ATOM 1339 O ALA A 86 -4.237 -11.446 5.065 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.243 -10.487 7.685 1.00 0.00 C ATOM 0 H ALA A 86 -7.149 -11.629 6.574 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.989 -9.011 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.325 -9.942 7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.992 -10.256 8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.039 -11.558 7.691 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.318 -9.257 4.549 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.309 -9.356 3.499 1.00 0.00 C ATOM 1348 C LEU A 87 -1.912 -9.480 4.097 1.00 0.00 C ATOM 1349 O LEU A 87 -1.415 -8.553 4.738 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.378 -8.131 2.584 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.881 -8.336 1.152 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.793 -7.625 0.164 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.448 -7.844 1.009 1.00 0.00 C ATOM 0 H LEU A 87 -4.691 -8.318 4.689 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.514 -10.252 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.413 -7.790 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.796 -7.329 3.038 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.901 -9.403 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.424 -7.782 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.803 -8.025 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.806 -6.558 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.111 -7.998 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.402 -6.782 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.803 -8.399 1.690 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.283 -10.630 3.882 1.00 0.00 N ATOM 1366 CA TRP A 88 0.060 -10.875 4.398 1.00 0.00 C ATOM 1367 C TRP A 88 1.086 -10.865 3.271 1.00 0.00 C ATOM 1368 O TRP A 88 0.973 -11.625 2.309 1.00 0.00 O ATOM 1369 CB TRP A 88 0.108 -12.213 5.137 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.483 -12.154 6.513 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.732 -12.563 6.887 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.150 -11.654 7.696 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -1.912 -12.347 8.232 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.772 -11.792 8.752 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.406 -11.107 7.967 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.477 -11.401 10.054 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.699 -10.719 9.260 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.761 -10.868 10.291 1.00 0.00 C ATOM 0 H TRP A 88 -1.681 -11.407 3.354 1.00 0.00 H new ATOM 0 HA TRP A 88 0.307 -10.074 5.095 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.426 -12.962 4.552 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.144 -12.543 5.208 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.468 -12.992 6.224 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.758 -12.565 8.759 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.136 -10.989 7.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.199 -11.514 10.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.667 -10.294 9.480 1.00 0.00 H new ATOM 0 HH2 TRP A 88 1.020 -10.556 11.292 1.00 0.00 H new ATOM 1433 N ARG A 92 4.134 -10.278 6.427 1.00 0.00 N ATOM 1434 CA ARG A 92 3.874 -9.000 7.079 1.00 0.00 C ATOM 1435 C ARG A 92 2.418 -8.583 6.895 1.00 0.00 C ATOM 1436 O ARG A 92 1.880 -8.639 5.788 1.00 0.00 O ATOM 1437 CB ARG A 92 4.801 -7.920 6.518 1.00 0.00 C ATOM 1438 CG ARG A 92 6.277 -8.261 6.639 1.00 0.00 C ATOM 1439 CD ARG A 92 6.920 -7.543 7.815 1.00 0.00 C ATOM 1440 NE ARG A 92 6.391 -8.007 9.094 1.00 0.00 N ATOM 1441 CZ ARG A 92 6.725 -7.473 10.265 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.582 -6.464 10.316 1.00 0.00 N ATOM 1443 NH2 ARG A 92 6.201 -7.951 11.386 1.00 0.00 N ATOM 0 HA ARG A 92 4.068 -9.117 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.560 -7.756 5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.610 -6.982 7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.394 -9.338 6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.792 -7.987 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.998 -7.700 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.752 -6.470 7.721 1.00 0.00 H new ATOM 0 HE ARG A 92 5.729 -8.783 9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.987 -6.095 9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.837 -6.056 11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.542 -8.728 11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.457 -7.541 12.284 1.00 0.00 H new ATOM 1457 N CYS A 93 1.786 -8.163 7.986 1.00 0.00 N ATOM 1458 CA CYS A 93 0.392 -7.737 7.945 1.00 0.00 C ATOM 1459 C CYS A 93 0.267 -6.340 7.346 1.00 0.00 C ATOM 1460 O CYS A 93 -0.368 -5.459 7.925 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.211 -7.758 9.350 1.00 0.00 C ATOM 1462 SG CYS A 93 0.556 -6.591 10.500 1.00 0.00 S ATOM 0 H CYS A 93 2.217 -8.109 8.909 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.156 -8.434 7.312 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.276 -7.536 9.280 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.121 -8.765 9.757 1.00 0.00 H new ATOM 0 HG CYS A 93 0.570 -5.404 9.969 1.00 0.00 H new ATOM 1468 N VAL A 94 0.879 -6.143 6.183 1.00 0.00 N ATOM 1469 CA VAL A 94 0.838 -4.854 5.505 1.00 0.00 C ATOM 1470 C VAL A 94 -0.598 -4.424 5.229 1.00 0.00 C ATOM 1471 O VAL A 94 -1.367 -5.153 4.603 1.00 0.00 O ATOM 1472 CB VAL A 94 1.615 -4.893 4.175 1.00 0.00 C ATOM 1473 CG1 VAL A 94 1.037 -5.952 3.250 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.600 -3.526 3.509 1.00 0.00 C ATOM 0 H VAL A 94 1.410 -6.861 5.690 1.00 0.00 H new ATOM 0 HA VAL A 94 1.309 -4.131 6.171 1.00 0.00 H new ATOM 0 HB VAL A 94 2.651 -5.157 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.598 -5.965 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.105 -6.929 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.008 -5.722 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.153 -3.572 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.570 -3.230 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.066 -2.794 4.169 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.954 -3.234 5.700 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.298 -2.704 5.504 1.00 0.00 C ATOM 1486 C LYS A 95 -2.428 -2.042 4.136 1.00 0.00 C ATOM 1487 O LYS A 95 -1.732 -1.071 3.836 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.637 -1.695 6.604 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.957 -1.973 7.300 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.786 -2.063 8.807 1.00 0.00 C ATOM 1491 CE LYS A 95 -3.949 -0.705 9.469 1.00 0.00 C ATOM 1492 NZ LYS A 95 -2.962 -0.499 10.565 1.00 0.00 N ATOM 0 H LYS A 95 -0.330 -2.618 6.221 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.000 -3.536 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.838 -1.697 7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.668 -0.695 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.669 -1.183 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.378 -2.906 6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.519 -2.759 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.800 -2.466 9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.831 0.080 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.959 -0.615 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.107 0.439 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.091 -1.232 11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.998 -0.559 10.180 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.323 -2.573 3.309 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.546 -2.032 1.973 1.00 0.00 C ATOM 1508 C VAL A 96 -4.897 -1.333 1.882 1.00 0.00 C ATOM 1509 O VAL A 96 -5.943 -1.981 1.862 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.479 -3.137 0.902 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.231 -4.376 1.365 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.032 -2.630 -0.421 1.00 0.00 C ATOM 0 H VAL A 96 -3.906 -3.378 3.541 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.752 -1.308 1.788 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.435 -3.411 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.173 -5.146 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.784 -4.750 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.275 -4.122 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.977 -3.423 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.071 -2.327 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.445 -1.775 -0.757 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.867 -0.006 1.827 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.090 0.784 1.736 1.00 0.00 C ATOM 1524 C ASP A 97 -5.941 1.899 0.705 1.00 0.00 C ATOM 1525 O ASP A 97 -4.872 2.494 0.569 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.441 1.378 3.101 1.00 0.00 C ATOM 1527 CG ASP A 97 -6.954 0.333 4.072 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -6.183 -0.587 4.415 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -8.127 0.436 4.489 1.00 0.00 O ATOM 0 H ASP A 97 -4.009 0.546 1.844 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.897 0.124 1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.558 1.859 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.197 2.153 2.973 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.020 2.175 -0.018 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.011 3.218 -1.039 1.00 0.00 C ATOM 1536 C LEU A 98 -6.840 4.596 -0.407 1.00 0.00 C ATOM 1537 O LEU A 98 -7.546 4.948 0.539 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.304 3.173 -1.853 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.148 2.889 -3.348 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.724 1.524 -3.694 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.820 3.978 -4.172 1.00 0.00 C ATOM 0 H LEU A 98 -7.913 1.692 0.083 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.166 3.036 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.953 2.409 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.816 4.128 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.085 2.884 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.604 1.339 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.198 0.754 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.783 1.501 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.699 3.759 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.882 4.016 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.362 4.941 -3.946 1.00 0.00 H new ATOM 1553 N SER A 99 -5.902 5.373 -0.939 1.00 0.00 N ATOM 1554 CA SER A 99 -5.638 6.712 -0.426 1.00 0.00 C ATOM 1555 C SER A 99 -6.532 7.741 -1.111 1.00 0.00 C ATOM 1556 O SER A 99 -7.031 7.511 -2.213 1.00 0.00 O ATOM 1557 CB SER A 99 -4.168 7.079 -0.633 1.00 0.00 C ATOM 1558 OG SER A 99 -3.709 7.943 0.392 1.00 0.00 O ATOM 0 H SER A 99 -5.312 5.098 -1.725 1.00 0.00 H new ATOM 0 HA SER A 99 -5.859 6.716 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.562 6.173 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.043 7.561 -1.602 1.00 0.00 H new ATOM 0 HG SER A 99 -2.766 8.161 0.238 1.00 0.00 H new