USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=19 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 50 TYR OH : rot 130:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= -0.0901 X(o=-0.09,f=0) USER MOD Set 2.1: A 29 HIS : no HD1:sc= 0.911 K(o=1.8,f=-8.1!) USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 64 GLN : amide:sc= 0.883 K(o=1.8,f=-2.8!) USER MOD Single : A 32 ASN : amide:sc= 0.00152 X(o=0.0015,f=0) USER MOD Single : A 35 HIS : no HE2:sc= -1.68! C(o=-1.7!,f=-3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -163:sc= 0.901 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+ -155:sc= -0.736 (180deg=-2.34!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0.097) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -152:sc= -2.11 (180deg=-4.45!) 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 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 138:sc= -3.48 (180deg=-6.3!) USER MOD Single : A 71 THR OG1 : rot 134:sc= 1.19 USER MOD Single : A 76 MET CE :methyl -136:sc= -2.16! (180deg=-4.4!) USER MOD Single : A 78 MET CE :methyl -176:sc= -5.04! (180deg=-5.28!) USER MOD Single : A 82 CYS SG : rot -28:sc= 0.00161 USER MOD Single : A 84 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0363) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 56:sc= -0.193 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.273 USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.977 9.180 -8.977 1.00 0.00 N ATOM 356 CA GLY A 25 -7.641 8.905 -8.483 1.00 0.00 C ATOM 357 C GLY A 25 -7.529 7.536 -7.841 1.00 0.00 C ATOM 358 O GLY A 25 -8.234 7.236 -6.877 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.931 8.975 -9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.362 9.668 -7.756 1.00 0.00 H new ATOM 362 N ARG A 26 -6.645 6.703 -8.377 1.00 0.00 N ATOM 363 CA ARG A 26 -6.446 5.357 -7.852 1.00 0.00 C ATOM 364 C ARG A 26 -5.029 5.187 -7.315 1.00 0.00 C ATOM 365 O ARG A 26 -4.078 5.031 -8.080 1.00 0.00 O ATOM 366 CB ARG A 26 -6.719 4.317 -8.941 1.00 0.00 C ATOM 367 CG ARG A 26 -7.986 4.586 -9.737 1.00 0.00 C ATOM 368 CD ARG A 26 -7.671 4.944 -11.181 1.00 0.00 C ATOM 369 NE ARG A 26 -8.812 5.557 -11.855 1.00 0.00 N ATOM 370 CZ ARG A 26 -8.766 6.027 -13.096 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.643 5.954 -13.796 1.00 0.00 N ATOM 372 NH2 ARG A 26 -9.847 6.570 -13.641 1.00 0.00 N ATOM 0 H ARG A 26 -6.054 6.936 -9.175 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.147 5.207 -7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.870 4.288 -9.624 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.792 3.332 -8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.627 3.705 -9.711 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.543 5.400 -9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.823 5.629 -11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.372 4.045 -11.720 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.692 5.628 -11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.810 5.536 -13.382 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.612 6.316 -14.749 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.714 6.627 -13.107 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.811 6.931 -14.594 1.00 0.00 H new ATOM 386 N VAL A 27 -4.895 5.218 -5.992 1.00 0.00 N ATOM 387 CA VAL A 27 -3.594 5.066 -5.352 1.00 0.00 C ATOM 388 C VAL A 27 -3.674 4.116 -4.162 1.00 0.00 C ATOM 389 O VAL A 27 -4.279 4.437 -3.139 1.00 0.00 O ATOM 390 CB VAL A 27 -3.042 6.422 -4.875 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.819 6.221 -3.993 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.710 7.309 -6.066 1.00 0.00 C ATOM 0 H VAL A 27 -5.672 5.347 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.920 4.650 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.810 6.919 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.443 7.190 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.092 5.625 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.044 5.703 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.321 8.264 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.959 6.819 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.611 7.480 -6.654 1.00 0.00 H new ATOM 402 N ILE A 28 -3.061 2.946 -4.304 1.00 0.00 N ATOM 403 CA ILE A 28 -3.062 1.950 -3.240 1.00 0.00 C ATOM 404 C ILE A 28 -2.028 2.286 -2.171 1.00 0.00 C ATOM 405 O ILE A 28 -0.823 2.165 -2.395 1.00 0.00 O ATOM 406 CB ILE A 28 -2.776 0.539 -3.788 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.923 0.076 -4.688 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.563 -0.441 -2.645 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.138 -0.399 -3.922 1.00 0.00 C ATOM 0 H ILE A 28 -2.557 2.665 -5.145 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.058 1.964 -2.797 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.864 0.575 -4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.214 0.897 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.568 -0.732 -5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.362 -1.433 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.716 -0.117 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.458 -0.476 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.911 -0.712 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.862 -1.241 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.518 0.413 -3.302 1.00 0.00 H new ATOM 421 N HIS A 29 -2.507 2.709 -1.005 1.00 0.00 N ATOM 422 CA HIS A 29 -1.625 3.062 0.102 1.00 0.00 C ATOM 423 C HIS A 29 -1.285 1.833 0.940 1.00 0.00 C ATOM 424 O HIS A 29 -2.156 1.254 1.592 1.00 0.00 O ATOM 425 CB HIS A 29 -2.275 4.130 0.981 1.00 0.00 C ATOM 426 CG HIS A 29 -1.379 4.639 2.068 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.834 5.396 3.126 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.046 4.495 2.257 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.820 5.697 3.918 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.276 5.161 3.413 1.00 0.00 N ATOM 0 H HIS A 29 -3.501 2.816 -0.802 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.701 3.461 -0.316 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.583 4.967 0.354 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.179 3.718 1.430 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.637 3.956 1.617 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.878 6.282 4.824 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.210 5.231 3.817 1.00 0.00 H new ATOM 438 N LEU A 30 -0.017 1.438 0.917 1.00 0.00 N ATOM 439 CA LEU A 30 0.437 0.277 1.674 1.00 0.00 C ATOM 440 C LEU A 30 1.230 0.705 2.904 1.00 0.00 C ATOM 441 O LEU A 30 2.291 1.318 2.788 1.00 0.00 O ATOM 442 CB LEU A 30 1.294 -0.630 0.790 1.00 0.00 C ATOM 443 CG LEU A 30 0.603 -1.216 -0.441 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.602 -1.420 -1.569 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.087 -2.527 -0.093 1.00 0.00 C ATOM 0 H LEU A 30 0.715 1.905 0.382 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.442 -0.276 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.164 -0.063 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.664 -1.454 1.400 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.155 -0.509 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.091 -1.838 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.048 -0.462 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.384 -2.106 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.573 -2.929 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.651 -3.241 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.834 -2.351 0.681 1.00 0.00 H new ATOM 457 N SER A 31 0.710 0.375 4.082 1.00 0.00 N ATOM 458 CA SER A 31 1.369 0.726 5.334 1.00 0.00 C ATOM 459 C SER A 31 1.761 -0.526 6.112 1.00 0.00 C ATOM 460 O SER A 31 1.132 -1.575 5.979 1.00 0.00 O ATOM 461 CB SER A 31 0.453 1.605 6.189 1.00 0.00 C ATOM 462 OG SER A 31 0.009 2.737 5.461 1.00 0.00 O ATOM 0 H SER A 31 -0.166 -0.135 4.195 1.00 0.00 H new ATOM 0 HA SER A 31 2.275 1.282 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.406 1.024 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.986 1.929 7.083 1.00 0.00 H new ATOM 0 HG SER A 31 -0.575 3.282 6.028 1.00 0.00 H new ATOM 468 N ASN A 32 2.807 -0.408 6.924 1.00 0.00 N ATOM 469 CA ASN A 32 3.285 -1.530 7.724 1.00 0.00 C ATOM 470 C ASN A 32 3.993 -2.559 6.849 1.00 0.00 C ATOM 471 O ASN A 32 3.818 -3.765 7.023 1.00 0.00 O ATOM 472 CB ASN A 32 2.118 -2.190 8.463 1.00 0.00 C ATOM 473 CG ASN A 32 2.547 -2.816 9.776 1.00 0.00 C ATOM 474 OD1 ASN A 32 2.673 -2.132 10.791 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.773 -4.126 9.760 1.00 0.00 N ATOM 0 H ASN A 32 3.340 0.453 7.045 1.00 0.00 H new ATOM 0 HA ASN A 32 3.999 -1.146 8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.345 -1.446 8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.674 -2.955 7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.064 -4.604 10.613 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.656 -4.653 8.895 1.00 0.00 H new ATOM 482 N LEU A 33 4.795 -2.074 5.907 1.00 0.00 N ATOM 483 CA LEU A 33 5.532 -2.951 5.003 1.00 0.00 C ATOM 484 C LEU A 33 6.805 -3.470 5.665 1.00 0.00 C ATOM 485 O LEU A 33 7.400 -2.815 6.521 1.00 0.00 O ATOM 486 CB LEU A 33 5.881 -2.209 3.712 1.00 0.00 C ATOM 487 CG LEU A 33 4.716 -1.927 2.763 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.119 -0.905 1.712 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.243 -3.215 2.104 1.00 0.00 C ATOM 0 H LEU A 33 4.952 -1.078 5.749 1.00 0.00 H new ATOM 0 HA LEU A 33 4.895 -3.803 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.345 -1.259 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.629 -2.791 3.173 1.00 0.00 H new ATOM 0 HG LEU A 33 3.891 -1.514 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.277 -0.717 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.409 0.025 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.960 -1.289 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.413 -2.996 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.063 -3.656 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.914 -3.916 2.871 1.00 0.00 H new ATOM 501 N PRO A 34 7.234 -4.674 5.260 1.00 0.00 N ATOM 502 CA PRO A 34 8.442 -5.306 5.799 1.00 0.00 C ATOM 503 C PRO A 34 9.716 -4.594 5.356 1.00 0.00 C ATOM 504 O PRO A 34 9.666 -3.484 4.826 1.00 0.00 O ATOM 505 CB PRO A 34 8.391 -6.721 5.216 1.00 0.00 C ATOM 506 CG PRO A 34 7.585 -6.590 3.970 1.00 0.00 C ATOM 507 CD PRO A 34 6.575 -5.511 4.243 1.00 0.00 C ATOM 0 HA PRO A 34 8.465 -5.279 6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.391 -7.097 5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.930 -7.420 5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.217 -6.327 3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.094 -7.531 3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.343 -4.941 3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.635 -5.924 4.610 1.00 0.00 H new ATOM 515 N HIS A 35 10.856 -5.239 5.578 1.00 0.00 N ATOM 516 CA HIS A 35 12.144 -4.668 5.201 1.00 0.00 C ATOM 517 C HIS A 35 13.249 -5.716 5.284 1.00 0.00 C ATOM 518 O HIS A 35 14.234 -5.538 6.003 1.00 0.00 O ATOM 519 CB HIS A 35 12.483 -3.480 6.103 1.00 0.00 C ATOM 520 CG HIS A 35 12.698 -3.859 7.536 1.00 0.00 C ATOM 521 ND1 HIS A 35 13.947 -4.103 8.069 1.00 0.00 N ATOM 522 CD2 HIS A 35 11.818 -4.034 8.549 1.00 0.00 C ATOM 523 CE1 HIS A 35 13.823 -4.414 9.348 1.00 0.00 C ATOM 524 NE2 HIS A 35 12.542 -4.378 9.663 1.00 0.00 N ATOM 0 H HIS A 35 10.914 -6.158 6.017 1.00 0.00 H new ATOM 0 HA HIS A 35 12.072 -4.323 4.170 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.382 -2.993 5.726 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.676 -2.749 6.046 1.00 0.00 H new ATOM 0 HD1 HIS A 35 14.828 -4.052 7.557 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.745 -3.923 8.492 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.632 -4.656 10.021 1.00 0.00 H new ATOM 532 N SER A 36 13.080 -6.807 4.546 1.00 0.00 N ATOM 533 CA SER A 36 14.061 -7.886 4.540 1.00 0.00 C ATOM 534 C SER A 36 14.925 -7.828 3.284 1.00 0.00 C ATOM 535 O SER A 36 15.388 -8.854 2.787 1.00 0.00 O ATOM 536 CB SER A 36 13.359 -9.244 4.627 1.00 0.00 C ATOM 537 OG SER A 36 12.364 -9.368 3.626 1.00 0.00 O ATOM 0 H SER A 36 12.273 -6.968 3.944 1.00 0.00 H new ATOM 0 HA SER A 36 14.706 -7.762 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.092 -10.043 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.906 -9.360 5.611 1.00 0.00 H new ATOM 0 HG SER A 36 11.931 -10.244 3.702 1.00 0.00 H new ATOM 543 N GLY A 37 15.137 -6.618 2.775 1.00 0.00 N ATOM 544 CA GLY A 37 15.945 -6.447 1.582 1.00 0.00 C ATOM 545 C GLY A 37 15.299 -7.055 0.353 1.00 0.00 C ATOM 546 O GLY A 37 15.973 -7.682 -0.465 1.00 0.00 O ATOM 0 H GLY A 37 14.764 -5.754 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.115 -5.384 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.922 -6.905 1.740 1.00 0.00 H new ATOM 550 N TYR A 38 13.990 -6.871 0.222 1.00 0.00 N ATOM 551 CA TYR A 38 13.252 -7.410 -0.914 1.00 0.00 C ATOM 552 C TYR A 38 13.229 -6.415 -2.070 1.00 0.00 C ATOM 553 O TYR A 38 13.677 -5.276 -1.933 1.00 0.00 O ATOM 554 CB TYR A 38 11.822 -7.761 -0.501 1.00 0.00 C ATOM 555 CG TYR A 38 11.090 -6.623 0.175 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.547 -5.582 -0.568 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.943 -6.587 1.556 1.00 0.00 C ATOM 558 CE1 TYR A 38 9.878 -4.540 0.044 1.00 0.00 C ATOM 559 CE2 TYR A 38 10.275 -5.550 2.177 1.00 0.00 C ATOM 560 CZ TYR A 38 9.745 -4.528 1.417 1.00 0.00 C ATOM 561 OH TYR A 38 9.080 -3.493 2.031 1.00 0.00 O ATOM 0 H TYR A 38 13.418 -6.353 0.889 1.00 0.00 H new ATOM 0 HA TYR A 38 13.759 -8.315 -1.247 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.262 -8.068 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.847 -8.617 0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.650 -5.588 -1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.359 -7.384 2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.461 -3.739 -0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.168 -5.539 3.252 1.00 0.00 H new ATOM 0 HH TYR A 38 9.297 -3.486 2.987 1.00 0.00 H new ATOM 571 N SER A 39 12.703 -6.853 -3.209 1.00 0.00 N ATOM 572 CA SER A 39 12.623 -6.003 -4.391 1.00 0.00 C ATOM 573 C SER A 39 11.228 -5.401 -4.535 1.00 0.00 C ATOM 574 O SER A 39 10.231 -6.021 -4.165 1.00 0.00 O ATOM 575 CB SER A 39 12.976 -6.804 -5.646 1.00 0.00 C ATOM 576 OG SER A 39 14.310 -6.552 -6.053 1.00 0.00 O ATOM 0 H SER A 39 12.326 -7.792 -3.338 1.00 0.00 H new ATOM 0 HA SER A 39 13.340 -5.191 -4.272 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.847 -7.868 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.291 -6.543 -6.453 1.00 0.00 H new ATOM 0 HG SER A 39 14.512 -7.077 -6.856 1.00 0.00 H new ATOM 582 N ASP A 40 11.167 -4.188 -5.074 1.00 0.00 N ATOM 583 CA ASP A 40 9.896 -3.502 -5.268 1.00 0.00 C ATOM 584 C ASP A 40 8.814 -4.477 -5.719 1.00 0.00 C ATOM 585 O ASP A 40 7.709 -4.489 -5.176 1.00 0.00 O ATOM 586 CB ASP A 40 10.050 -2.380 -6.298 1.00 0.00 C ATOM 587 CG ASP A 40 10.654 -2.869 -7.599 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.897 -2.936 -7.687 1.00 0.00 O ATOM 589 OD2 ASP A 40 9.883 -3.183 -8.530 1.00 0.00 O ATOM 0 H ASP A 40 11.983 -3.660 -5.384 1.00 0.00 H new ATOM 0 HA ASP A 40 9.595 -3.071 -4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.074 -1.937 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.678 -1.592 -5.882 1.00 0.00 H new ATOM 594 N SER A 41 9.139 -5.295 -6.715 1.00 0.00 N ATOM 595 CA SER A 41 8.193 -6.272 -7.242 1.00 0.00 C ATOM 596 C SER A 41 7.420 -6.944 -6.111 1.00 0.00 C ATOM 597 O SER A 41 6.190 -7.001 -6.132 1.00 0.00 O ATOM 598 CB SER A 41 8.926 -7.327 -8.072 1.00 0.00 C ATOM 599 OG SER A 41 8.527 -7.274 -9.431 1.00 0.00 O ATOM 0 H SER A 41 10.050 -5.301 -7.173 1.00 0.00 H new ATOM 0 HA SER A 41 7.484 -5.746 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.002 -7.169 -7.999 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.722 -8.319 -7.668 1.00 0.00 H new ATOM 0 HG SER A 41 9.011 -7.957 -9.941 1.00 0.00 H new ATOM 605 N ALA A 42 8.151 -7.454 -5.125 1.00 0.00 N ATOM 606 CA ALA A 42 7.535 -8.121 -3.985 1.00 0.00 C ATOM 607 C ALA A 42 6.350 -7.321 -3.454 1.00 0.00 C ATOM 608 O ALA A 42 5.327 -7.889 -3.072 1.00 0.00 O ATOM 609 CB ALA A 42 8.562 -8.338 -2.882 1.00 0.00 C ATOM 0 H ALA A 42 9.170 -7.418 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 42 7.165 -9.090 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.088 -8.837 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.376 -8.957 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.958 -7.375 -2.559 1.00 0.00 H new ATOM 615 N VAL A 43 6.495 -6.000 -3.434 1.00 0.00 N ATOM 616 CA VAL A 43 5.435 -5.123 -2.951 1.00 0.00 C ATOM 617 C VAL A 43 4.329 -4.973 -3.990 1.00 0.00 C ATOM 618 O VAL A 43 3.184 -4.671 -3.655 1.00 0.00 O ATOM 619 CB VAL A 43 5.981 -3.727 -2.595 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.848 -2.716 -2.510 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.760 -3.778 -1.289 1.00 0.00 C ATOM 0 H VAL A 43 7.336 -5.514 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 43 5.026 -5.586 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 43 6.661 -3.409 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.253 -1.736 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.337 -2.661 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.141 -3.026 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.139 -2.784 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.104 -4.117 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.596 -4.470 -1.391 1.00 0.00 H new ATOM 631 N LEU A 44 4.679 -5.187 -5.254 1.00 0.00 N ATOM 632 CA LEU A 44 3.716 -5.076 -6.344 1.00 0.00 C ATOM 633 C LEU A 44 3.031 -6.415 -6.602 1.00 0.00 C ATOM 634 O LEU A 44 2.036 -6.486 -7.324 1.00 0.00 O ATOM 635 CB LEU A 44 4.411 -4.592 -7.618 1.00 0.00 C ATOM 636 CG LEU A 44 5.501 -3.537 -7.429 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.294 -3.351 -8.712 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.891 -2.216 -6.981 1.00 0.00 C ATOM 0 H LEU A 44 5.622 -5.438 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 44 2.957 -4.349 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.851 -5.455 -8.118 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.654 -4.187 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 44 6.183 -3.883 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.065 -2.596 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.762 -4.295 -8.991 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.625 -3.028 -9.510 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.681 -1.476 -6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.186 -1.866 -7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.368 -2.359 -6.035 1.00 0.00 H new ATOM 650 N LYS A 45 3.568 -7.473 -6.005 1.00 0.00 N ATOM 651 CA LYS A 45 3.006 -8.809 -6.167 1.00 0.00 C ATOM 652 C LYS A 45 1.577 -8.867 -5.637 1.00 0.00 C ATOM 653 O LYS A 45 0.753 -9.640 -6.128 1.00 0.00 O ATOM 654 CB LYS A 45 3.873 -9.839 -5.439 1.00 0.00 C ATOM 655 CG LYS A 45 4.652 -10.749 -6.375 1.00 0.00 C ATOM 656 CD LYS A 45 5.498 -11.748 -5.603 1.00 0.00 C ATOM 657 CE LYS A 45 6.471 -12.477 -6.518 1.00 0.00 C ATOM 658 NZ LYS A 45 7.436 -13.310 -5.749 1.00 0.00 N ATOM 0 H LYS A 45 4.392 -7.432 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 45 2.989 -9.043 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.573 -9.316 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.237 -10.450 -4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.959 -11.283 -7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.294 -10.147 -7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.052 -11.230 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.849 -12.471 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.915 -13.110 -7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.017 -11.751 -7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.082 -13.790 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.985 -12.703 -5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.917 -14.020 -5.194 1.00 0.00 H new ATOM 672 N LEU A 46 1.289 -8.044 -4.636 1.00 0.00 N ATOM 673 CA LEU A 46 -0.043 -8.000 -4.041 1.00 0.00 C ATOM 674 C LEU A 46 -0.990 -7.157 -4.888 1.00 0.00 C ATOM 675 O LEU A 46 -2.186 -7.078 -4.608 1.00 0.00 O ATOM 676 CB LEU A 46 0.030 -7.434 -2.622 1.00 0.00 C ATOM 677 CG LEU A 46 1.197 -6.489 -2.334 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.864 -5.567 -1.171 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.464 -7.280 -2.044 1.00 0.00 C ATOM 0 H LEU A 46 1.959 -7.398 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.430 -9.018 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.900 -6.904 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.083 -8.268 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 46 1.369 -5.876 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.707 -4.902 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.017 -4.975 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.664 -6.163 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.284 -6.592 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.303 -7.919 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.713 -7.897 -2.907 1.00 0.00 H new ATOM 691 N ALA A 47 -0.448 -6.531 -5.927 1.00 0.00 N ATOM 692 CA ALA A 47 -1.246 -5.698 -6.819 1.00 0.00 C ATOM 693 C ALA A 47 -1.044 -6.103 -8.275 1.00 0.00 C ATOM 694 O ALA A 47 -1.575 -5.466 -9.185 1.00 0.00 O ATOM 695 CB ALA A 47 -0.896 -4.231 -6.624 1.00 0.00 C ATOM 0 H ALA A 47 0.541 -6.585 -6.172 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.297 -5.846 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.499 -3.621 -7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.098 -3.943 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.160 -4.077 -6.844 1.00 0.00 H new ATOM 701 N GLU A 48 -0.276 -7.166 -8.489 1.00 0.00 N ATOM 702 CA GLU A 48 -0.004 -7.654 -9.836 1.00 0.00 C ATOM 703 C GLU A 48 -1.252 -8.280 -10.450 1.00 0.00 C ATOM 704 O GLU A 48 -1.760 -7.834 -11.479 1.00 0.00 O ATOM 705 CB GLU A 48 1.134 -8.677 -9.812 1.00 0.00 C ATOM 706 CG GLU A 48 2.415 -8.177 -10.459 1.00 0.00 C ATOM 707 CD GLU A 48 2.708 -8.861 -11.779 1.00 0.00 C ATOM 708 OE1 GLU A 48 3.120 -10.040 -11.758 1.00 0.00 O ATOM 709 OE2 GLU A 48 2.524 -8.218 -12.834 1.00 0.00 O ATOM 0 H GLU A 48 0.169 -7.706 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 48 0.294 -6.804 -10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.342 -8.952 -8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.808 -9.583 -10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.340 -7.102 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.249 -8.340 -9.777 1.00 0.00 H new ATOM 716 N PRO A 49 -1.760 -9.340 -9.805 1.00 0.00 N ATOM 717 CA PRO A 49 -2.956 -10.051 -10.269 1.00 0.00 C ATOM 718 C PRO A 49 -4.224 -9.220 -10.105 1.00 0.00 C ATOM 719 O PRO A 49 -5.325 -9.687 -10.400 1.00 0.00 O ATOM 720 CB PRO A 49 -3.006 -11.287 -9.366 1.00 0.00 C ATOM 721 CG PRO A 49 -2.281 -10.882 -8.130 1.00 0.00 C ATOM 722 CD PRO A 49 -1.208 -9.927 -8.572 1.00 0.00 C ATOM 0 HA PRO A 49 -2.905 -10.285 -11.332 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.034 -11.575 -9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.530 -12.144 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.957 -10.407 -7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.850 -11.749 -7.629 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.012 -9.165 -7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.265 -10.441 -8.759 1.00 0.00 H new ATOM 730 N TYR A 50 -4.063 -7.989 -9.635 1.00 0.00 N ATOM 731 CA TYR A 50 -5.195 -7.094 -9.432 1.00 0.00 C ATOM 732 C TYR A 50 -5.365 -6.151 -10.619 1.00 0.00 C ATOM 733 O TYR A 50 -6.484 -5.813 -11.003 1.00 0.00 O ATOM 734 CB TYR A 50 -5.009 -6.286 -8.146 1.00 0.00 C ATOM 735 CG TYR A 50 -5.142 -7.113 -6.887 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.091 -7.904 -6.437 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.318 -7.105 -6.147 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.208 -8.661 -5.288 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.443 -7.858 -4.997 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.385 -8.634 -4.571 1.00 0.00 C ATOM 741 OH TYR A 50 -5.507 -9.387 -3.426 1.00 0.00 O ATOM 0 H TYR A 50 -3.159 -7.588 -9.387 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.095 -7.703 -9.344 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.025 -5.817 -8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.745 -5.482 -8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.167 -7.927 -6.996 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.149 -6.499 -6.477 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.382 -9.271 -4.953 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.364 -7.840 -4.434 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.844 -8.824 -2.698 1.00 0.00 H new ATOM 751 N GLY A 51 -4.244 -5.727 -11.195 1.00 0.00 N ATOM 752 CA GLY A 51 -4.288 -4.828 -12.332 1.00 0.00 C ATOM 753 C GLY A 51 -2.907 -4.405 -12.792 1.00 0.00 C ATOM 754 O GLY A 51 -1.916 -4.629 -12.095 1.00 0.00 O ATOM 0 H GLY A 51 -3.306 -5.991 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.808 -5.315 -13.156 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.867 -3.943 -12.069 1.00 0.00 H new ATOM 758 N LYS A 52 -2.838 -3.793 -13.970 1.00 0.00 N ATOM 759 CA LYS A 52 -1.568 -3.338 -14.523 1.00 0.00 C ATOM 760 C LYS A 52 -1.000 -2.183 -13.704 1.00 0.00 C ATOM 761 O LYS A 52 -1.621 -1.126 -13.593 1.00 0.00 O ATOM 762 CB LYS A 52 -1.749 -2.905 -15.979 1.00 0.00 C ATOM 763 CG LYS A 52 -1.714 -4.058 -16.966 1.00 0.00 C ATOM 764 CD LYS A 52 -3.047 -4.787 -17.020 1.00 0.00 C ATOM 765 CE LYS A 52 -3.571 -4.884 -18.445 1.00 0.00 C ATOM 766 NZ LYS A 52 -3.204 -6.179 -19.083 1.00 0.00 N ATOM 0 H LYS A 52 -3.647 -3.601 -14.560 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.864 -4.169 -14.482 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.700 -2.382 -16.078 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.965 -2.193 -16.237 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.464 -3.682 -17.958 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.927 -4.757 -16.682 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.933 -5.788 -16.604 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.774 -4.265 -16.398 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.656 -4.775 -18.442 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.170 -4.061 -19.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.579 -6.207 -20.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.168 -6.272 -19.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.608 -6.964 -18.533 1.00 0.00 H new ATOM 780 N ILE A 53 0.182 -2.393 -13.135 1.00 0.00 N ATOM 781 CA ILE A 53 0.834 -1.367 -12.329 1.00 0.00 C ATOM 782 C ILE A 53 1.332 -0.219 -13.199 1.00 0.00 C ATOM 783 O ILE A 53 2.431 -0.277 -13.752 1.00 0.00 O ATOM 784 CB ILE A 53 2.018 -1.946 -11.533 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.516 -2.929 -10.472 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.819 -0.825 -10.886 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.297 -4.224 -10.433 1.00 0.00 C ATOM 0 H ILE A 53 0.708 -3.263 -13.217 1.00 0.00 H new ATOM 0 HA ILE A 53 0.087 -0.991 -11.630 1.00 0.00 H new ATOM 0 HB ILE A 53 2.671 -2.484 -12.220 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.568 -2.453 -9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.466 -3.152 -10.662 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.653 -1.249 -10.327 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.202 -0.159 -11.659 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.176 -0.263 -10.208 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.887 -4.873 -9.659 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.224 -4.722 -11.400 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.343 -4.012 -10.212 1.00 0.00 H new ATOM 799 N LYS A 54 0.519 0.825 -13.316 1.00 0.00 N ATOM 800 CA LYS A 54 0.879 1.990 -14.115 1.00 0.00 C ATOM 801 C LYS A 54 1.983 2.796 -13.439 1.00 0.00 C ATOM 802 O LYS A 54 2.755 3.487 -14.101 1.00 0.00 O ATOM 803 CB LYS A 54 -0.348 2.877 -14.342 1.00 0.00 C ATOM 804 CG LYS A 54 -0.862 2.851 -15.771 1.00 0.00 C ATOM 805 CD LYS A 54 -1.419 1.486 -16.139 1.00 0.00 C ATOM 806 CE LYS A 54 -0.454 0.709 -17.022 1.00 0.00 C ATOM 807 NZ LYS A 54 -1.158 -0.309 -17.850 1.00 0.00 N ATOM 0 H LYS A 54 -0.395 0.888 -12.867 1.00 0.00 H new ATOM 0 HA LYS A 54 1.249 1.637 -15.078 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.146 2.557 -13.672 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.098 3.903 -14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.638 3.607 -15.893 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.053 3.111 -16.454 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.621 0.918 -15.231 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.370 1.608 -16.657 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.080 1.401 -17.673 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.293 0.217 -16.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.496 -1.072 -18.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.955 -0.704 -17.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.515 0.137 -18.719 1.00 0.00 H new ATOM 821 N ASN A 55 2.053 2.700 -12.115 1.00 0.00 N ATOM 822 CA ASN A 55 3.064 3.419 -11.348 1.00 0.00 C ATOM 823 C ASN A 55 3.117 2.915 -9.910 1.00 0.00 C ATOM 824 O ASN A 55 2.097 2.525 -9.340 1.00 0.00 O ATOM 825 CB ASN A 55 2.772 4.921 -11.364 1.00 0.00 C ATOM 826 CG ASN A 55 3.897 5.723 -11.989 1.00 0.00 C ATOM 827 OD1 ASN A 55 3.899 5.976 -13.194 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.863 6.125 -11.171 1.00 0.00 N ATOM 0 H ASN A 55 1.422 2.131 -11.551 1.00 0.00 H new ATOM 0 HA ASN A 55 4.033 3.239 -11.812 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.850 5.103 -11.916 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.606 5.267 -10.344 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.647 6.666 -11.535 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.821 5.893 -10.179 1.00 0.00 H new ATOM 835 N TYR A 56 4.310 2.926 -9.329 1.00 0.00 N ATOM 836 CA TYR A 56 4.498 2.468 -7.957 1.00 0.00 C ATOM 837 C TYR A 56 5.513 3.342 -7.225 1.00 0.00 C ATOM 838 O TYR A 56 6.374 3.964 -7.845 1.00 0.00 O ATOM 839 CB TYR A 56 4.959 1.010 -7.942 1.00 0.00 C ATOM 840 CG TYR A 56 6.439 0.839 -8.204 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.949 0.923 -9.493 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.324 0.593 -7.163 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.300 0.768 -9.737 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.676 0.438 -7.397 1.00 0.00 C ATOM 845 CZ TYR A 56 9.160 0.526 -8.686 1.00 0.00 C ATOM 846 OH TYR A 56 10.506 0.370 -8.924 1.00 0.00 O ATOM 0 H TYR A 56 5.163 3.247 -9.786 1.00 0.00 H new ATOM 0 HA TYR A 56 3.541 2.544 -7.441 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.717 0.571 -6.974 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.399 0.453 -8.693 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.279 1.113 -10.318 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.949 0.522 -6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.681 0.836 -10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.351 0.249 -6.575 1.00 0.00 H new ATOM 0 HH TYR A 56 10.971 0.207 -8.077 1.00 0.00 H new ATOM 856 N ILE A 57 5.403 3.381 -5.902 1.00 0.00 N ATOM 857 CA ILE A 57 6.312 4.175 -5.083 1.00 0.00 C ATOM 858 C ILE A 57 6.775 3.394 -3.859 1.00 0.00 C ATOM 859 O ILE A 57 5.971 3.031 -2.999 1.00 0.00 O ATOM 860 CB ILE A 57 5.651 5.487 -4.620 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.597 6.490 -5.775 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.406 6.072 -3.437 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.850 7.327 -5.906 1.00 0.00 C ATOM 0 H ILE A 57 4.694 2.873 -5.374 1.00 0.00 H new ATOM 0 HA ILE A 57 7.174 4.411 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 57 4.631 5.271 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.431 5.950 -6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.742 7.150 -5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.927 6.999 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.397 5.360 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.436 6.277 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.742 8.015 -6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.006 7.894 -4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.706 6.675 -6.080 1.00 0.00 H new ATOM 875 N LEU A 58 8.076 3.138 -3.784 1.00 0.00 N ATOM 876 CA LEU A 58 8.648 2.399 -2.664 1.00 0.00 C ATOM 877 C LEU A 58 9.384 3.338 -1.713 1.00 0.00 C ATOM 878 O LEU A 58 10.545 3.679 -1.938 1.00 0.00 O ATOM 879 CB LEU A 58 9.604 1.320 -3.173 1.00 0.00 C ATOM 880 CG LEU A 58 9.272 -0.116 -2.764 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.199 -0.237 -1.249 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.965 -0.565 -3.400 1.00 0.00 C ATOM 0 H LEU A 58 8.755 3.431 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 58 7.832 1.924 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.630 1.370 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.608 1.555 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 58 10.069 -0.768 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.962 -1.266 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.160 0.041 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.423 0.427 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.746 -1.589 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.158 0.091 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.054 -0.519 -4.485 1.00 0.00 H new ATOM 894 N MET A 59 8.702 3.751 -0.650 1.00 0.00 N ATOM 895 CA MET A 59 9.293 4.649 0.335 1.00 0.00 C ATOM 896 C MET A 59 9.820 3.867 1.535 1.00 0.00 C ATOM 897 O MET A 59 9.046 3.291 2.301 1.00 0.00 O ATOM 898 CB MET A 59 8.264 5.682 0.798 1.00 0.00 C ATOM 899 CG MET A 59 8.127 6.867 -0.144 1.00 0.00 C ATOM 900 SD MET A 59 6.859 8.034 0.389 1.00 0.00 S ATOM 901 CE MET A 59 6.146 8.501 -1.186 1.00 0.00 C ATOM 0 H MET A 59 7.740 3.478 -0.449 1.00 0.00 H new ATOM 0 HA MET A 59 10.129 5.166 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.294 5.196 0.901 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.545 6.045 1.787 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.084 7.383 -0.214 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.886 6.506 -1.144 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.739 9.510 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.916 8.473 -1.957 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.348 7.805 -1.445 1.00 0.00 H new ATOM 911 N ARG A 60 11.140 3.850 1.691 1.00 0.00 N ATOM 912 CA ARG A 60 11.770 3.137 2.796 1.00 0.00 C ATOM 913 C ARG A 60 11.742 3.976 4.069 1.00 0.00 C ATOM 914 O ARG A 60 11.961 3.463 5.167 1.00 0.00 O ATOM 915 CB ARG A 60 13.213 2.776 2.441 1.00 0.00 C ATOM 916 CG ARG A 60 13.439 1.285 2.251 1.00 0.00 C ATOM 917 CD ARG A 60 14.502 0.757 3.203 1.00 0.00 C ATOM 918 NE ARG A 60 15.367 -0.230 2.563 1.00 0.00 N ATOM 919 CZ ARG A 60 16.501 -0.670 3.099 1.00 0.00 C ATOM 920 NH1 ARG A 60 16.902 -0.214 4.277 1.00 0.00 N ATOM 921 NH2 ARG A 60 17.234 -1.570 2.456 1.00 0.00 N ATOM 0 H ARG A 60 11.794 4.322 1.066 1.00 0.00 H new ATOM 0 HA ARG A 60 11.207 2.220 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.494 3.297 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.873 3.137 3.229 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.504 0.750 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.741 1.090 1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.107 1.587 3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.020 0.308 4.072 1.00 0.00 H new ATOM 0 HE ARG A 60 15.086 -0.602 1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 60 16.340 0.476 4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 60 17.773 -0.554 4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 60 16.927 -1.924 1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 60 18.104 -1.907 2.868 1.00 0.00 H new ATOM 935 N MET A 61 11.473 5.268 3.915 1.00 0.00 N ATOM 936 CA MET A 61 11.416 6.178 5.053 1.00 0.00 C ATOM 937 C MET A 61 10.661 5.545 6.218 1.00 0.00 C ATOM 938 O MET A 61 11.265 5.094 7.192 1.00 0.00 O ATOM 939 CB MET A 61 10.745 7.493 4.650 1.00 0.00 C ATOM 940 CG MET A 61 11.728 8.631 4.424 1.00 0.00 C ATOM 941 SD MET A 61 10.907 10.214 4.157 1.00 0.00 S ATOM 942 CE MET A 61 10.996 10.922 5.799 1.00 0.00 C ATOM 0 H MET A 61 11.291 5.709 3.013 1.00 0.00 H new ATOM 0 HA MET A 61 12.438 6.383 5.373 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.170 7.334 3.738 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.037 7.784 5.426 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.391 8.710 5.286 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.353 8.400 3.562 1.00 0.00 H new ATOM 0 HE1 MET A 61 10.528 11.906 5.797 1.00 0.00 H new ATOM 0 HE2 MET A 61 10.475 10.274 6.503 1.00 0.00 H new ATOM 0 HE3 MET A 61 12.040 11.017 6.098 1.00 0.00 H new ATOM 952 N LYS A 62 9.336 5.516 6.114 1.00 0.00 N ATOM 953 CA LYS A 62 8.498 4.939 7.156 1.00 0.00 C ATOM 954 C LYS A 62 7.823 3.661 6.666 1.00 0.00 C ATOM 955 O LYS A 62 6.637 3.440 6.916 1.00 0.00 O ATOM 956 CB LYS A 62 7.439 5.948 7.605 1.00 0.00 C ATOM 957 CG LYS A 62 8.000 7.088 8.437 1.00 0.00 C ATOM 958 CD LYS A 62 6.955 8.163 8.688 1.00 0.00 C ATOM 959 CE LYS A 62 7.454 9.206 9.676 1.00 0.00 C ATOM 960 NZ LYS A 62 6.450 9.487 10.740 1.00 0.00 N ATOM 0 H LYS A 62 8.820 5.887 5.316 1.00 0.00 H new ATOM 0 HA LYS A 62 9.136 4.690 8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.946 6.360 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.676 5.428 8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.361 6.701 9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.857 7.525 7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.696 8.647 7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.044 7.704 9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.381 8.859 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.687 10.128 9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.828 10.203 11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.574 9.842 10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.246 8.613 11.265 1.00 0.00 H new ATOM 974 N SER A 63 8.585 2.824 5.971 1.00 0.00 N ATOM 975 CA SER A 63 8.059 1.569 5.444 1.00 0.00 C ATOM 976 C SER A 63 6.696 1.783 4.793 1.00 0.00 C ATOM 977 O SER A 63 5.717 1.127 5.149 1.00 0.00 O ATOM 978 CB SER A 63 7.946 0.531 6.562 1.00 0.00 C ATOM 979 OG SER A 63 9.226 0.087 6.977 1.00 0.00 O ATOM 0 H SER A 63 9.569 2.991 5.759 1.00 0.00 H new ATOM 0 HA SER A 63 8.751 1.202 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.414 0.962 7.410 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.358 -0.319 6.216 1.00 0.00 H new ATOM 0 HG SER A 63 9.126 -0.574 7.693 1.00 0.00 H new ATOM 985 N GLN A 64 6.642 2.704 3.837 1.00 0.00 N ATOM 986 CA GLN A 64 5.399 3.005 3.135 1.00 0.00 C ATOM 987 C GLN A 64 5.594 2.926 1.625 1.00 0.00 C ATOM 988 O GLN A 64 6.707 3.082 1.124 1.00 0.00 O ATOM 989 CB GLN A 64 4.893 4.395 3.525 1.00 0.00 C ATOM 990 CG GLN A 64 4.124 4.417 4.836 1.00 0.00 C ATOM 991 CD GLN A 64 3.414 5.736 5.074 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.185 5.792 5.126 1.00 0.00 O ATOM 993 NE2 GLN A 64 4.187 6.806 5.220 1.00 0.00 N ATOM 0 H GLN A 64 7.444 3.255 3.530 1.00 0.00 H new ATOM 0 HA GLN A 64 4.657 2.261 3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.743 5.074 3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.251 4.775 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.392 3.609 4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.812 4.225 5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.201 6.713 5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.766 7.721 5.383 1.00 0.00 H new ATOM 1002 N ALA A 65 4.503 2.683 0.904 1.00 0.00 N ATOM 1003 CA ALA A 65 4.554 2.585 -0.549 1.00 0.00 C ATOM 1004 C ALA A 65 3.189 2.869 -1.166 1.00 0.00 C ATOM 1005 O ALA A 65 2.153 2.619 -0.549 1.00 0.00 O ATOM 1006 CB ALA A 65 5.049 1.208 -0.968 1.00 0.00 C ATOM 0 H ALA A 65 3.574 2.551 1.303 1.00 0.00 H new ATOM 0 HA ALA A 65 5.253 3.337 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.082 1.149 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.048 1.042 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.372 0.445 -0.584 1.00 0.00 H new ATOM 1012 N PHE A 66 3.195 3.393 -2.387 1.00 0.00 N ATOM 1013 CA PHE A 66 1.955 3.712 -3.087 1.00 0.00 C ATOM 1014 C PHE A 66 1.924 3.055 -4.464 1.00 0.00 C ATOM 1015 O PHE A 66 2.771 3.328 -5.314 1.00 0.00 O ATOM 1016 CB PHE A 66 1.803 5.228 -3.231 1.00 0.00 C ATOM 1017 CG PHE A 66 1.771 5.954 -1.917 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.947 6.339 -1.294 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.564 6.252 -1.304 1.00 0.00 C ATOM 1020 CE1 PHE A 66 2.920 7.008 -0.084 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.531 6.921 -0.095 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.711 7.299 0.516 1.00 0.00 C ATOM 0 H PHE A 66 4.043 3.606 -2.912 1.00 0.00 H new ATOM 0 HA PHE A 66 1.124 3.323 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.629 5.613 -3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.885 5.443 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.896 6.114 -1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.362 5.958 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.844 7.303 0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.416 7.148 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.688 7.821 1.461 1.00 0.00 H new ATOM 1032 N ILE A 67 0.940 2.185 -4.674 1.00 0.00 N ATOM 1033 CA ILE A 67 0.798 1.488 -5.946 1.00 0.00 C ATOM 1034 C ILE A 67 -0.457 1.944 -6.684 1.00 0.00 C ATOM 1035 O ILE A 67 -1.576 1.661 -6.259 1.00 0.00 O ATOM 1036 CB ILE A 67 0.737 -0.038 -5.748 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.003 -0.534 -5.045 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.560 -0.739 -7.087 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.938 -1.989 -4.641 1.00 0.00 C ATOM 0 H ILE A 67 0.231 1.947 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 67 1.677 1.734 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.122 -0.274 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.857 -0.386 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.178 0.074 -4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.519 -1.817 -6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.367 -0.404 -7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.401 -0.499 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.868 -2.272 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.104 -2.139 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.794 -2.607 -5.528 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.261 2.650 -7.794 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.376 3.143 -8.593 1.00 0.00 C ATOM 1053 C GLU A 68 -1.808 2.106 -9.624 1.00 0.00 C ATOM 1054 O GLU A 68 -1.146 1.917 -10.645 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.993 4.448 -9.293 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.975 4.870 -10.373 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.726 6.281 -10.870 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.912 6.995 -10.246 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.343 6.671 -11.883 1.00 0.00 O ATOM 0 H GLU A 68 0.660 2.893 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.214 3.332 -7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.920 5.242 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.004 4.336 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.907 4.176 -11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.990 4.800 -9.983 1.00 0.00 H new ATOM 1066 N MET A 69 -2.923 1.436 -9.351 1.00 0.00 N ATOM 1067 CA MET A 69 -3.443 0.418 -10.257 1.00 0.00 C ATOM 1068 C MET A 69 -3.800 1.025 -11.609 1.00 0.00 C ATOM 1069 O MET A 69 -3.801 2.244 -11.771 1.00 0.00 O ATOM 1070 CB MET A 69 -4.674 -0.257 -9.646 1.00 0.00 C ATOM 1071 CG MET A 69 -4.411 -0.882 -8.285 1.00 0.00 C ATOM 1072 SD MET A 69 -2.802 -1.688 -8.190 1.00 0.00 S ATOM 1073 CE MET A 69 -3.097 -3.153 -9.177 1.00 0.00 C ATOM 0 H MET A 69 -3.483 1.579 -8.511 1.00 0.00 H new ATOM 0 HA MET A 69 -2.665 -0.330 -10.409 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.472 0.479 -9.551 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.032 -1.028 -10.328 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.472 -0.111 -7.517 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.192 -1.611 -8.067 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.235 -3.339 -9.818 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.252 -4.009 -8.520 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.983 -3.004 -9.794 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.103 0.166 -12.578 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.461 0.619 -13.916 1.00 0.00 C ATOM 1085 C GLU A 70 -5.858 1.232 -13.929 1.00 0.00 C ATOM 1086 O GLU A 70 -6.142 2.144 -14.706 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.394 -0.545 -14.908 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.683 -0.139 -16.343 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.359 -1.241 -17.137 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -6.431 -1.712 -16.704 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.814 -1.632 -18.191 1.00 0.00 O ATOM 0 H GLU A 70 -4.107 -0.847 -12.461 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.745 1.384 -14.215 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.403 -0.996 -14.860 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.108 -1.311 -14.605 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.318 0.747 -16.345 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.750 0.137 -16.834 1.00 0.00 H new ATOM 1098 N THR A 71 -6.728 0.724 -13.060 1.00 0.00 N ATOM 1099 CA THR A 71 -8.095 1.220 -12.971 1.00 0.00 C ATOM 1100 C THR A 71 -8.576 1.249 -11.525 1.00 0.00 C ATOM 1101 O THR A 71 -7.817 0.955 -10.602 1.00 0.00 O ATOM 1102 CB THR A 71 -9.061 0.356 -13.805 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.652 -0.654 -12.979 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.335 -0.296 -14.970 1.00 0.00 C ATOM 0 H THR A 71 -6.509 -0.030 -12.409 1.00 0.00 H new ATOM 0 HA THR A 71 -8.090 2.235 -13.370 1.00 0.00 H new ATOM 0 HB THR A 71 -9.843 1.004 -14.202 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.617 -0.692 -13.148 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.037 -0.901 -15.544 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.911 0.476 -15.612 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.535 -0.932 -14.590 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.843 1.605 -11.335 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.425 1.673 -10.000 1.00 0.00 C ATOM 1114 C ARG A 72 -10.863 0.290 -9.526 1.00 0.00 C ATOM 1115 O ARG A 72 -10.768 -0.031 -8.342 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.619 2.628 -9.988 1.00 0.00 C ATOM 1117 CG ARG A 72 -12.060 3.037 -8.592 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.594 4.459 -8.570 1.00 0.00 C ATOM 1119 NE ARG A 72 -14.029 4.510 -8.834 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.804 5.534 -8.496 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -14.283 6.590 -7.884 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -16.101 5.505 -8.770 1.00 0.00 N ATOM 0 H ARG A 72 -10.485 1.851 -12.088 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.662 2.048 -9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.363 3.523 -10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.457 2.155 -10.500 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.831 2.352 -8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.218 2.953 -7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.388 4.908 -7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.067 5.055 -9.315 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.460 3.714 -9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.286 6.616 -7.672 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.880 7.376 -7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.505 4.695 -9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.695 6.292 -8.510 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.342 -0.526 -10.461 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.795 -1.874 -10.138 1.00 0.00 C ATOM 1138 C GLU A 73 -10.696 -2.664 -9.434 1.00 0.00 C ATOM 1139 O GLU A 73 -10.925 -3.267 -8.386 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.232 -2.607 -11.409 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.461 -2.003 -12.068 1.00 0.00 C ATOM 1142 CD GLU A 73 -13.112 -0.924 -13.074 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -12.078 -1.064 -13.761 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -13.872 0.062 -13.176 1.00 0.00 O ATOM 0 H GLU A 73 -11.426 -0.277 -11.447 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.647 -1.791 -9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.408 -2.602 -12.123 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.436 -3.650 -11.165 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.025 -2.791 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.111 -1.583 -11.300 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.503 -2.656 -10.019 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.368 -3.371 -9.448 1.00 0.00 C ATOM 1153 C ASP A 74 -8.067 -2.876 -8.037 1.00 0.00 C ATOM 1154 O ASP A 74 -8.316 -3.577 -7.057 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.133 -3.201 -10.336 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.403 -3.574 -11.781 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.278 -4.433 -12.018 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.739 -3.008 -12.673 1.00 0.00 O ATOM 0 H ASP A 74 -9.297 -2.163 -10.888 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.626 -4.429 -9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.794 -2.166 -10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.323 -3.820 -9.949 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.529 -1.664 -7.943 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.195 -1.074 -6.652 1.00 0.00 C ATOM 1165 C ALA A 75 -8.218 -1.463 -5.590 1.00 0.00 C ATOM 1166 O ALA A 75 -7.859 -1.932 -4.511 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.104 0.440 -6.771 1.00 0.00 C ATOM 0 H ALA A 75 -7.315 -1.072 -8.745 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.224 -1.462 -6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.854 0.867 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.330 0.702 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.062 0.837 -7.106 1.00 0.00 H new ATOM 1173 N MET A 76 -9.494 -1.264 -5.904 1.00 0.00 N ATOM 1174 CA MET A 76 -10.569 -1.595 -4.975 1.00 0.00 C ATOM 1175 C MET A 76 -10.479 -3.052 -4.535 1.00 0.00 C ATOM 1176 O MET A 76 -10.577 -3.358 -3.347 1.00 0.00 O ATOM 1177 CB MET A 76 -11.931 -1.330 -5.623 1.00 0.00 C ATOM 1178 CG MET A 76 -12.175 0.135 -5.946 1.00 0.00 C ATOM 1179 SD MET A 76 -13.023 1.007 -4.614 1.00 0.00 S ATOM 1180 CE MET A 76 -12.107 2.546 -4.581 1.00 0.00 C ATOM 0 H MET A 76 -9.809 -0.876 -6.793 1.00 0.00 H new ATOM 0 HA MET A 76 -10.462 -0.961 -4.095 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.007 -1.914 -6.540 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.717 -1.682 -4.955 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.221 0.623 -6.145 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.767 0.208 -6.858 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.893 2.820 -3.548 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.171 2.424 -5.126 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.699 3.332 -5.049 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.288 -3.947 -5.499 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.182 -5.372 -5.209 1.00 0.00 C ATOM 1192 C ALA A 77 -9.052 -5.649 -4.224 1.00 0.00 C ATOM 1193 O ALA A 77 -9.057 -6.663 -3.528 1.00 0.00 O ATOM 1194 CB ALA A 77 -9.969 -6.157 -6.495 1.00 0.00 C ATOM 0 H ALA A 77 -10.204 -3.710 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.116 -5.695 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.892 -7.219 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.812 -5.992 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.051 -5.823 -6.977 1.00 0.00 H new ATOM 1200 N MET A 78 -8.084 -4.739 -4.170 1.00 0.00 N ATOM 1201 CA MET A 78 -6.947 -4.887 -3.269 1.00 0.00 C ATOM 1202 C MET A 78 -7.349 -4.577 -1.831 1.00 0.00 C ATOM 1203 O MET A 78 -7.232 -5.425 -0.946 1.00 0.00 O ATOM 1204 CB MET A 78 -5.805 -3.964 -3.700 1.00 0.00 C ATOM 1205 CG MET A 78 -4.460 -4.668 -3.797 1.00 0.00 C ATOM 1206 SD MET A 78 -3.996 -5.493 -2.263 1.00 0.00 S ATOM 1207 CE MET A 78 -2.296 -4.956 -2.089 1.00 0.00 C ATOM 0 H MET A 78 -8.065 -3.893 -4.739 1.00 0.00 H new ATOM 0 HA MET A 78 -6.608 -5.922 -3.319 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.048 -3.526 -4.668 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.725 -3.141 -2.989 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.495 -5.401 -4.603 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.692 -3.941 -4.061 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.848 -5.441 -1.222 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.736 -5.225 -2.985 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.268 -3.875 -1.954 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.825 -3.357 -1.603 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.246 -2.936 -0.272 1.00 0.00 C ATOM 1219 C VAL A 79 -9.364 -3.827 0.258 1.00 0.00 C ATOM 1220 O VAL A 79 -9.415 -4.135 1.448 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.727 -1.473 -0.272 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.664 -0.561 -0.865 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -10.038 -1.343 -1.033 1.00 0.00 C ATOM 0 H VAL A 79 -7.929 -2.642 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.376 -3.024 0.378 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.900 -1.166 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.022 0.469 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.752 -0.633 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.456 -0.864 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.363 -0.303 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.894 -1.668 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.797 -1.965 -0.559 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.258 -4.239 -0.634 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.375 -5.097 -0.257 1.00 0.00 C ATOM 1235 C ASP A 80 -10.883 -6.484 0.145 1.00 0.00 C ATOM 1236 O ASP A 80 -11.352 -7.059 1.128 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.371 -5.211 -1.412 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.728 -4.627 -1.067 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.173 -4.805 0.086 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.341 -3.992 -1.949 1.00 0.00 O ATOM 0 H ASP A 80 -10.231 -3.993 -1.623 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.875 -4.645 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.970 -4.698 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.489 -6.260 -1.684 1.00 0.00 H new ATOM 1245 N HIS A 81 -9.937 -7.017 -0.621 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.382 -8.337 -0.344 1.00 0.00 C ATOM 1247 C HIS A 81 -8.754 -8.382 1.045 1.00 0.00 C ATOM 1248 O HIS A 81 -8.628 -9.450 1.645 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.339 -8.706 -1.400 1.00 0.00 C ATOM 1250 CG HIS A 81 -7.841 -10.114 -1.283 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -8.355 -11.158 -2.024 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -6.869 -10.647 -0.508 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -7.721 -12.273 -1.706 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -6.814 -11.990 -0.790 1.00 0.00 N ATOM 0 H HIS A 81 -9.539 -6.555 -1.439 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.196 -9.061 -0.379 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.771 -8.563 -2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.494 -8.022 -1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -6.251 -10.115 0.201 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -7.913 -13.250 -2.125 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -6.176 -12.660 -0.361 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.362 -7.217 1.550 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.745 -7.125 2.868 1.00 0.00 C ATOM 1264 C CYS A 82 -8.806 -6.991 3.957 1.00 0.00 C ATOM 1265 O CYS A 82 -8.577 -7.359 5.109 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.787 -5.933 2.923 1.00 0.00 C ATOM 1267 SG CYS A 82 -5.767 -5.875 4.415 1.00 0.00 S ATOM 0 H CYS A 82 -8.461 -6.324 1.067 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.183 -8.042 3.044 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.134 -5.964 2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.366 -5.012 2.855 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.396 -6.456 5.393 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.965 -6.462 3.584 1.00 0.00 N ATOM 1274 CA LEU A 83 -11.061 -6.277 4.528 1.00 0.00 C ATOM 1275 C LEU A 83 -11.633 -7.622 4.968 1.00 0.00 C ATOM 1276 O LEU A 83 -11.739 -7.903 6.161 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.163 -5.422 3.900 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.814 -3.955 3.649 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.905 -3.278 2.835 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.597 -3.226 4.965 1.00 0.00 C ATOM 0 H LEU A 83 -10.171 -6.153 2.634 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.669 -5.764 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.449 -5.874 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.039 -5.461 4.548 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.886 -3.915 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.639 -2.235 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.011 -3.785 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.849 -3.329 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.349 -2.183 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.507 -3.276 5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.779 -3.696 5.511 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.998 -8.450 3.995 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.555 -9.766 4.280 1.00 0.00 C ATOM 1294 C LYS A 84 -11.462 -10.737 4.718 1.00 0.00 C ATOM 1295 O LYS A 84 -11.630 -11.483 5.683 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.275 -10.316 3.047 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.557 -9.574 2.710 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.363 -8.628 1.538 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.350 -9.376 0.214 1.00 0.00 C ATOM 1300 NZ LYS A 84 -15.718 -9.793 -0.201 1.00 0.00 N ATOM 0 H LYS A 84 -11.918 -8.232 3.002 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.271 -9.660 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.601 -10.267 2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.507 -11.368 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.342 -10.292 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.892 -9.011 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.163 -7.887 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.426 -8.084 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.914 -8.741 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.713 -10.256 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.683 -10.193 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.078 -10.510 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.350 -8.967 -0.194 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.341 -10.721 4.003 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.220 -11.597 4.319 1.00 0.00 C ATOM 1316 C LYS A 85 -8.004 -10.788 4.758 1.00 0.00 C ATOM 1317 O LYS A 85 -7.879 -9.609 4.427 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.861 -12.458 3.106 1.00 0.00 C ATOM 1319 CG LYS A 85 -10.004 -13.335 2.624 1.00 0.00 C ATOM 1320 CD LYS A 85 -10.628 -12.788 1.351 1.00 0.00 C ATOM 1321 CE LYS A 85 -11.912 -13.523 1.000 1.00 0.00 C ATOM 1322 NZ LYS A 85 -12.092 -13.653 -0.473 1.00 0.00 N ATOM 0 H LYS A 85 -10.186 -10.110 3.201 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.520 -12.246 5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.544 -11.808 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.010 -13.091 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.638 -14.346 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.764 -13.404 3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.838 -11.726 1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.919 -12.879 0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.898 -14.514 1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.763 -12.990 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.978 -14.160 -0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.130 -12.707 -0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.293 -14.184 -0.875 1.00 0.00 H new ATOM 1336 N ALA A 86 -7.110 -11.428 5.504 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.904 -10.768 5.986 1.00 0.00 C ATOM 1338 C ALA A 86 -4.749 -10.950 5.005 1.00 0.00 C ATOM 1339 O ALA A 86 -4.225 -12.053 4.845 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.520 -11.302 7.358 1.00 0.00 C ATOM 0 H ALA A 86 -7.199 -12.404 5.788 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.113 -9.702 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.617 -10.799 7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.332 -11.116 8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.336 -12.374 7.293 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.359 -9.862 4.350 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.267 -9.902 3.384 1.00 0.00 C ATOM 1348 C LEU A 87 -1.917 -9.978 4.091 1.00 0.00 C ATOM 1349 O LEU A 87 -1.598 -9.139 4.932 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.313 -8.669 2.480 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.880 -8.882 1.030 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.652 -7.958 0.101 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.382 -8.659 0.882 1.00 0.00 C ATOM 0 H LEU A 87 -4.782 -8.942 4.470 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.388 -10.797 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.332 -8.281 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.678 -7.899 2.918 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.103 -9.912 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.330 -8.124 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.719 -8.166 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.461 -6.921 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.092 -8.815 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.135 -7.640 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.845 -9.362 1.518 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.128 -10.988 3.741 1.00 0.00 N ATOM 1366 CA TRP A 88 0.188 -11.173 4.340 1.00 0.00 C ATOM 1367 C TRP A 88 1.290 -10.991 3.301 1.00 0.00 C ATOM 1368 O TRP A 88 1.265 -11.616 2.240 1.00 0.00 O ATOM 1369 CB TRP A 88 0.293 -12.560 4.975 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.378 -12.654 6.311 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.578 -13.243 6.587 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.114 -12.141 7.555 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -1.863 -13.127 7.925 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.840 -12.456 8.542 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.268 -11.449 7.930 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.674 -12.101 9.878 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.431 -11.096 9.256 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.465 -11.423 10.217 1.00 0.00 C ATOM 0 H TRP A 88 -1.377 -11.691 3.045 1.00 0.00 H new ATOM 0 HA TRP A 88 0.316 -10.417 5.114 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.149 -13.294 4.302 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.345 -12.822 5.086 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.211 -13.729 5.859 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.701 -13.483 8.385 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.019 -11.195 7.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.418 -12.352 10.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.318 -10.559 9.557 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.623 -11.134 11.246 1.00 0.00 H new ATOM 1433 N ARG A 92 4.214 -10.355 6.970 1.00 0.00 N ATOM 1434 CA ARG A 92 3.793 -9.121 7.625 1.00 0.00 C ATOM 1435 C ARG A 92 2.389 -8.723 7.182 1.00 0.00 C ATOM 1436 O ARG A 92 2.097 -8.661 5.987 1.00 0.00 O ATOM 1437 CB ARG A 92 4.778 -7.993 7.312 1.00 0.00 C ATOM 1438 CG ARG A 92 6.062 -8.063 8.122 1.00 0.00 C ATOM 1439 CD ARG A 92 6.257 -6.812 8.965 1.00 0.00 C ATOM 1440 NE ARG A 92 7.655 -6.618 9.341 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.257 -7.301 10.309 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.588 -8.217 10.995 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.532 -7.068 10.591 1.00 0.00 N ATOM 0 HA ARG A 92 3.780 -9.295 8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.026 -8.023 6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.292 -7.035 7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.038 -8.939 8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.911 -8.186 7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.907 -5.942 8.409 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.646 -6.882 9.865 1.00 0.00 H new ATOM 0 HE ARG A 92 8.199 -5.920 8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.608 -8.400 10.781 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.054 -8.739 11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.050 -6.365 10.065 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.994 -7.592 11.334 1.00 0.00 H new ATOM 1457 N CYS A 93 1.522 -8.454 8.152 1.00 0.00 N ATOM 1458 CA CYS A 93 0.147 -8.063 7.863 1.00 0.00 C ATOM 1459 C CYS A 93 0.090 -6.638 7.322 1.00 0.00 C ATOM 1460 O CYS A 93 -0.388 -5.726 7.997 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.714 -8.179 9.122 1.00 0.00 C ATOM 1462 SG CYS A 93 -0.111 -7.204 10.520 1.00 0.00 S ATOM 0 H CYS A 93 1.747 -8.500 9.146 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.244 -8.737 7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.730 -7.864 8.885 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.766 -9.227 9.419 1.00 0.00 H new ATOM 0 HG CYS A 93 -0.001 -5.958 10.165 1.00 0.00 H new ATOM 1468 N VAL A 94 0.582 -6.454 6.101 1.00 0.00 N ATOM 1469 CA VAL A 94 0.587 -5.139 5.469 1.00 0.00 C ATOM 1470 C VAL A 94 -0.832 -4.627 5.256 1.00 0.00 C ATOM 1471 O VAL A 94 -1.730 -5.384 4.884 1.00 0.00 O ATOM 1472 CB VAL A 94 1.318 -5.172 4.114 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.755 -6.273 3.229 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.220 -3.819 3.424 1.00 0.00 C ATOM 0 H VAL A 94 0.982 -7.198 5.530 1.00 0.00 H new ATOM 0 HA VAL A 94 1.116 -4.465 6.143 1.00 0.00 H new ATOM 0 HB VAL A 94 2.371 -5.388 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.284 -6.280 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.882 -7.237 3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.305 -6.092 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.742 -3.860 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.172 -3.572 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.676 -3.055 4.054 1.00 0.00 H new ATOM 1484 N LYS A 95 -1.031 -3.335 5.495 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.341 -2.717 5.328 1.00 0.00 C ATOM 1486 C LYS A 95 -2.453 -2.037 3.967 1.00 0.00 C ATOM 1487 O LYS A 95 -1.615 -1.211 3.604 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.594 -1.699 6.442 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.863 -1.965 7.233 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.796 -1.344 8.618 1.00 0.00 C ATOM 1491 CE LYS A 95 -5.186 -1.106 9.189 1.00 0.00 C ATOM 1492 NZ LYS A 95 -5.863 -2.382 9.552 1.00 0.00 N ATOM 0 H LYS A 95 -0.300 -2.695 5.806 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.095 -3.502 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.744 -1.701 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.650 -0.702 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.720 -1.562 6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.019 -3.040 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.235 -1.998 9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.255 -0.399 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.112 -0.470 10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.791 -0.569 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.807 -2.177 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.957 -2.978 8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.299 -2.883 10.268 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.494 -2.388 3.219 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.716 -1.810 1.899 1.00 0.00 C ATOM 1508 C VAL A 96 -5.038 -1.050 1.848 1.00 0.00 C ATOM 1509 O VAL A 96 -6.110 -1.652 1.819 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.716 -2.892 0.803 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.440 -4.139 1.286 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.349 -2.358 -0.472 1.00 0.00 C ATOM 0 H VAL A 96 -4.197 -3.070 3.505 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.894 -1.118 1.715 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.683 -3.162 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.430 -4.893 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.938 -4.531 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.471 -3.888 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.341 -3.136 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.378 -2.059 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.783 -1.496 -0.826 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.951 0.276 1.836 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.140 1.119 1.787 1.00 0.00 C ATOM 1524 C ASP A 97 -6.026 2.154 0.672 1.00 0.00 C ATOM 1525 O ASP A 97 -4.938 2.656 0.385 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.351 1.819 3.130 1.00 0.00 C ATOM 1527 CG ASP A 97 -7.115 0.960 4.118 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -8.092 0.302 3.701 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -6.737 0.944 5.308 1.00 0.00 O ATOM 0 H ASP A 97 -4.070 0.790 1.860 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.999 0.481 1.580 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.382 2.082 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.892 2.751 2.969 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.155 2.468 0.046 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.183 3.442 -1.039 1.00 0.00 C ATOM 1536 C LEU A 98 -7.108 4.865 -0.495 1.00 0.00 C ATOM 1537 O LEU A 98 -7.879 5.245 0.388 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.453 3.269 -1.874 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.246 2.880 -3.338 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.671 1.439 -3.573 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -9.015 3.821 -4.254 1.00 0.00 C ATOM 0 H LEU A 98 -8.063 2.062 0.271 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.313 3.268 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.074 2.508 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.014 4.203 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.184 2.966 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.516 1.180 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.076 0.777 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.726 1.325 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.856 3.529 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.078 3.767 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.662 4.842 -4.106 1.00 0.00 H new ATOM 1553 N SER A 99 -6.177 5.649 -1.028 1.00 0.00 N ATOM 1554 CA SER A 99 -6.000 7.031 -0.596 1.00 0.00 C ATOM 1555 C SER A 99 -7.138 7.909 -1.105 1.00 0.00 C ATOM 1556 O SER A 99 -7.802 8.594 -0.329 1.00 0.00 O ATOM 1557 CB SER A 99 -4.659 7.575 -1.090 1.00 0.00 C ATOM 1558 OG SER A 99 -4.767 8.075 -2.412 1.00 0.00 O ATOM 0 H SER A 99 -5.533 5.351 -1.760 1.00 0.00 H new ATOM 0 HA SER A 99 -6.011 7.049 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.317 8.368 -0.425 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.908 6.785 -1.057 1.00 0.00 H new ATOM 0 HG SER A 99 -3.897 8.419 -2.704 1.00 0.00 H new