USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 62 SER OG : rot -160:sc= 0.0286 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= -0.842 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -124:sc= -0.0446 (180deg=-0.148) USER MOD Set 2.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -147:sc= -0.0766 (180deg=-0.126) USER MOD Single : A 34 LYS NZ :NH3+ -131:sc=-0.00733 (180deg=-0.303) USER MOD Single : A 36 THR OG1 : rot 88:sc= 0.163 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 170:sc= 0.132! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.56 K(o=-1.6,f=-10!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.13) USER MOD Single : A 56 GLN : amide:sc= -0.279 K(o=-0.28,f=-3.2!) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 1.31 (180deg=0.412) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.269 USER MOD Single : A 68 GLN : amide:sc= -2.23 K(o=-2.2,f=-6.1!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 79 LYS NZ :NH3+ -123:sc= -0.0125 (180deg=-0.253) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= -0.332 (180deg=-0.471) USER MOD Single : A 84 GLN : amide:sc= -0.0832 X(o=-0.083,f=0) USER MOD Single : A 86 THR OG1 : rot -177:sc= -2.32 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 90 HIS : no HD1:sc= -0.916 X(o=-0.92,f=-1.3) USER MOD Single : A 93 HIS : no HE2:sc= -0.958 K(o=-0.96,f=-3.1!) USER MOD Single : A 99 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 5.612 -5.456 -10.421 1.00 0.00 N ATOM 381 CA LYS A 31 6.602 -4.696 -9.602 1.00 0.00 C ATOM 382 C LYS A 31 6.233 -3.217 -9.662 1.00 0.00 C ATOM 383 O LYS A 31 7.071 -2.352 -9.826 1.00 0.00 O ATOM 384 CB LYS A 31 7.953 -4.947 -10.271 1.00 0.00 C ATOM 385 CG LYS A 31 8.296 -6.440 -10.199 1.00 0.00 C ATOM 386 CD LYS A 31 9.654 -6.627 -9.515 1.00 0.00 C ATOM 387 CE LYS A 31 9.443 -7.108 -8.077 1.00 0.00 C ATOM 388 NZ LYS A 31 9.248 -5.863 -7.281 1.00 0.00 N ATOM 0 HA LYS A 31 6.624 -4.998 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.921 -4.621 -11.311 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.729 -4.362 -9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.523 -6.974 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.322 -6.866 -11.202 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.254 -7.351 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.206 -5.687 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.576 -7.764 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.303 -7.675 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.640 -5.996 -6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.735 -5.072 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.232 -5.651 -7.211 1.00 0.00 H new ATOM 402 N ILE A 32 4.960 -2.937 -9.576 1.00 0.00 N ATOM 403 CA ILE A 32 4.489 -1.531 -9.678 1.00 0.00 C ATOM 404 C ILE A 32 5.139 -0.657 -8.600 1.00 0.00 C ATOM 405 O ILE A 32 4.962 -0.877 -7.418 1.00 0.00 O ATOM 406 CB ILE A 32 2.973 -1.606 -9.469 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.338 -2.390 -10.624 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.382 -0.191 -9.428 1.00 0.00 C ATOM 409 CD1 ILE A 32 1.870 -3.756 -10.119 1.00 0.00 C ATOM 0 H ILE A 32 4.223 -3.629 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 32 4.751 -1.083 -10.637 1.00 0.00 H new ATOM 0 HB ILE A 32 2.765 -2.109 -8.525 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.495 -1.834 -11.034 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.059 -2.517 -11.431 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.304 -0.251 -9.279 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.831 0.367 -8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.591 0.318 -10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.419 -4.313 -10.940 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.723 -4.312 -9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.134 -3.618 -9.327 1.00 0.00 H new ATOM 421 N ILE A 33 5.883 0.341 -9.002 1.00 0.00 N ATOM 422 CA ILE A 33 6.535 1.236 -8.002 1.00 0.00 C ATOM 423 C ILE A 33 5.578 2.375 -7.630 1.00 0.00 C ATOM 424 O ILE A 33 4.723 2.756 -8.407 1.00 0.00 O ATOM 425 CB ILE A 33 7.806 1.762 -8.682 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.437 2.708 -9.839 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.618 0.571 -9.209 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.596 2.802 -10.833 1.00 0.00 C ATOM 0 H ILE A 33 6.067 0.574 -9.978 1.00 0.00 H new ATOM 0 HA ILE A 33 6.783 0.719 -7.075 1.00 0.00 H new ATOM 0 HB ILE A 33 8.403 2.320 -7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.543 2.344 -10.345 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.202 3.698 -9.448 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.524 0.934 -9.694 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.888 -0.081 -8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.020 0.013 -9.929 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.324 3.474 -11.647 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.480 3.187 -10.325 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.811 1.812 -11.236 1.00 0.00 H new ATOM 440 N LYS A 34 5.706 2.904 -6.443 1.00 0.00 N ATOM 441 CA LYS A 34 4.794 4.004 -6.011 1.00 0.00 C ATOM 442 C LYS A 34 5.398 5.368 -6.352 1.00 0.00 C ATOM 443 O LYS A 34 6.596 5.560 -6.291 1.00 0.00 O ATOM 444 CB LYS A 34 4.665 3.839 -4.495 1.00 0.00 C ATOM 445 CG LYS A 34 4.069 2.465 -4.176 1.00 0.00 C ATOM 446 CD LYS A 34 2.985 2.611 -3.104 1.00 0.00 C ATOM 447 CE LYS A 34 2.488 1.225 -2.689 1.00 0.00 C ATOM 448 NZ LYS A 34 1.633 0.768 -3.819 1.00 0.00 N ATOM 0 H LYS A 34 6.403 2.622 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 34 3.828 3.955 -6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.643 3.941 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.031 4.625 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.645 2.023 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.851 1.790 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.383 3.140 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.157 3.206 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.320 0.541 -2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.922 1.271 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.726 0.419 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.460 1.563 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.115 0.002 -4.331 1.00 0.00 H new ATOM 462 N VAL A 35 4.573 6.315 -6.714 1.00 0.00 N ATOM 463 CA VAL A 35 5.095 7.669 -7.061 1.00 0.00 C ATOM 464 C VAL A 35 4.178 8.750 -6.480 1.00 0.00 C ATOM 465 O VAL A 35 2.969 8.622 -6.491 1.00 0.00 O ATOM 466 CB VAL A 35 5.090 7.719 -8.593 1.00 0.00 C ATOM 467 CG1 VAL A 35 5.900 6.544 -9.144 1.00 0.00 C ATOM 468 CG2 VAL A 35 3.651 7.630 -9.112 1.00 0.00 C ATOM 0 H VAL A 35 3.561 6.209 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 35 6.091 7.846 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 35 5.534 8.658 -8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.897 6.579 -10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.926 6.608 -8.782 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.455 5.607 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.654 7.666 -10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.202 6.693 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.071 8.467 -8.723 1.00 0.00 H new ATOM 478 N THR A 36 4.743 9.811 -5.974 1.00 0.00 N ATOM 479 CA THR A 36 3.904 10.900 -5.394 1.00 0.00 C ATOM 480 C THR A 36 3.955 12.137 -6.294 1.00 0.00 C ATOM 481 O THR A 36 4.929 12.863 -6.312 1.00 0.00 O ATOM 482 CB THR A 36 4.526 11.200 -4.029 1.00 0.00 C ATOM 483 OG1 THR A 36 4.904 9.982 -3.404 1.00 0.00 O ATOM 484 CG2 THR A 36 3.508 11.930 -3.152 1.00 0.00 C ATOM 0 H THR A 36 5.749 9.972 -5.936 1.00 0.00 H new ATOM 0 HA THR A 36 2.856 10.613 -5.306 1.00 0.00 H new ATOM 0 HB THR A 36 5.406 11.829 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.811 9.739 -3.683 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.952 12.143 -2.180 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.219 12.865 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.627 11.303 -3.019 1.00 0.00 H new ATOM 492 N VAL A 37 2.911 12.380 -7.041 1.00 0.00 N ATOM 493 CA VAL A 37 2.898 13.569 -7.941 1.00 0.00 C ATOM 494 C VAL A 37 2.213 14.749 -7.247 1.00 0.00 C ATOM 495 O VAL A 37 1.108 14.633 -6.752 1.00 0.00 O ATOM 496 CB VAL A 37 2.097 13.130 -9.170 1.00 0.00 C ATOM 497 CG1 VAL A 37 2.044 14.275 -10.184 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.772 11.915 -9.812 1.00 0.00 C ATOM 0 H VAL A 37 2.068 11.807 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 37 3.903 13.896 -8.207 1.00 0.00 H new ATOM 0 HB VAL A 37 1.084 12.867 -8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.474 13.961 -11.058 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.564 15.142 -9.730 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.057 14.539 -10.488 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.202 11.602 -10.687 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.785 12.179 -10.114 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.810 11.097 -9.092 1.00 0.00 H new ATOM 508 N LYS A 38 2.861 15.882 -7.209 1.00 0.00 N ATOM 509 CA LYS A 38 2.249 17.071 -6.549 1.00 0.00 C ATOM 510 C LYS A 38 1.666 18.012 -7.605 1.00 0.00 C ATOM 511 O LYS A 38 2.359 18.470 -8.491 1.00 0.00 O ATOM 512 CB LYS A 38 3.403 17.748 -5.807 1.00 0.00 C ATOM 513 CG LYS A 38 2.857 18.529 -4.607 1.00 0.00 C ATOM 514 CD LYS A 38 3.280 19.998 -4.713 1.00 0.00 C ATOM 515 CE LYS A 38 3.658 20.524 -3.326 1.00 0.00 C ATOM 516 NZ LYS A 38 5.145 20.439 -3.275 1.00 0.00 N ATOM 0 H LYS A 38 3.788 16.036 -7.606 1.00 0.00 H new ATOM 0 HA LYS A 38 1.435 16.801 -5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.121 17.000 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.936 18.421 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.770 18.455 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.232 18.098 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.126 20.095 -5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.467 20.592 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.316 21.549 -3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.201 19.925 -2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.481 20.783 -2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.441 19.450 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.552 21.024 -4.032 1.00 0.00 H new ATOM 530 N THR A 39 0.395 18.301 -7.518 1.00 0.00 N ATOM 531 CA THR A 39 -0.236 19.211 -8.518 1.00 0.00 C ATOM 532 C THR A 39 -0.679 20.511 -7.836 1.00 0.00 C ATOM 533 O THR A 39 -0.723 20.587 -6.624 1.00 0.00 O ATOM 534 CB THR A 39 -1.446 18.434 -9.043 1.00 0.00 C ATOM 535 OG1 THR A 39 -2.113 17.810 -7.954 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.981 17.368 -10.038 1.00 0.00 C ATOM 0 H THR A 39 -0.234 17.946 -6.797 1.00 0.00 H new ATOM 0 HA THR A 39 0.446 19.491 -9.320 1.00 0.00 H new ATOM 0 HB THR A 39 -2.129 19.120 -9.544 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.969 17.445 -8.261 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.844 16.816 -10.410 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.470 17.848 -10.873 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.297 16.680 -9.541 1.00 0.00 H new ATOM 544 N PRO A 40 -0.997 21.499 -8.637 1.00 0.00 N ATOM 545 CA PRO A 40 -1.439 22.806 -8.088 1.00 0.00 C ATOM 546 C PRO A 40 -2.840 22.684 -7.479 1.00 0.00 C ATOM 547 O PRO A 40 -3.774 23.333 -7.908 1.00 0.00 O ATOM 548 CB PRO A 40 -1.451 23.722 -9.309 1.00 0.00 C ATOM 549 CG PRO A 40 -1.622 22.806 -10.478 1.00 0.00 C ATOM 550 CD PRO A 40 -0.975 21.498 -10.107 1.00 0.00 C ATOM 0 HA PRO A 40 -0.795 23.177 -7.291 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.265 24.445 -9.252 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.524 24.290 -9.385 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.678 22.663 -10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.158 23.227 -11.370 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.525 20.650 -10.515 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.043 21.432 -10.492 1.00 0.00 H new ATOM 558 N LYS A 41 -2.989 21.856 -6.476 1.00 0.00 N ATOM 559 CA LYS A 41 -4.324 21.683 -5.828 1.00 0.00 C ATOM 560 C LYS A 41 -4.204 20.718 -4.646 1.00 0.00 C ATOM 561 O LYS A 41 -4.769 20.936 -3.592 1.00 0.00 O ATOM 562 CB LYS A 41 -5.230 21.091 -6.913 1.00 0.00 C ATOM 563 CG LYS A 41 -6.513 21.923 -7.031 1.00 0.00 C ATOM 564 CD LYS A 41 -6.735 22.320 -8.491 1.00 0.00 C ATOM 565 CE LYS A 41 -7.460 23.667 -8.550 1.00 0.00 C ATOM 566 NZ LYS A 41 -7.327 24.114 -9.964 1.00 0.00 N ATOM 0 H LYS A 41 -2.240 21.290 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.721 22.622 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.706 21.076 -7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.477 20.058 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.365 21.350 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.439 22.815 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.779 22.387 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.322 21.556 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.507 23.565 -8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.012 24.387 -7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.800 25.032 -10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.320 24.209 -10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.768 23.413 -10.593 1.00 0.00 H new ATOM 580 N GLU A 42 -3.467 19.652 -4.816 1.00 0.00 N ATOM 581 CA GLU A 42 -3.301 18.666 -3.708 1.00 0.00 C ATOM 582 C GLU A 42 -2.203 17.658 -4.064 1.00 0.00 C ATOM 583 O GLU A 42 -1.473 17.836 -5.019 1.00 0.00 O ATOM 584 CB GLU A 42 -4.657 17.965 -3.590 1.00 0.00 C ATOM 585 CG GLU A 42 -5.256 18.233 -2.207 1.00 0.00 C ATOM 586 CD GLU A 42 -6.775 18.370 -2.325 1.00 0.00 C ATOM 587 OE1 GLU A 42 -7.234 19.470 -2.585 1.00 0.00 O ATOM 588 OE2 GLU A 42 -7.455 17.371 -2.153 1.00 0.00 O ATOM 0 H GLU A 42 -2.971 19.421 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.008 19.141 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.333 18.325 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.538 16.893 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.006 17.419 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.830 19.143 -1.785 1.00 0.00 H new ATOM 595 N LYS A 43 -2.083 16.603 -3.303 1.00 0.00 N ATOM 596 CA LYS A 43 -1.033 15.583 -3.597 1.00 0.00 C ATOM 597 C LYS A 43 -1.674 14.204 -3.778 1.00 0.00 C ATOM 598 O LYS A 43 -2.446 13.757 -2.951 1.00 0.00 O ATOM 599 CB LYS A 43 -0.116 15.594 -2.373 1.00 0.00 C ATOM 600 CG LYS A 43 1.343 15.501 -2.826 1.00 0.00 C ATOM 601 CD LYS A 43 2.244 15.295 -1.607 1.00 0.00 C ATOM 602 CE LYS A 43 3.710 15.419 -2.028 1.00 0.00 C ATOM 603 NZ LYS A 43 4.476 14.711 -0.964 1.00 0.00 N ATOM 0 H LYS A 43 -2.666 16.403 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.488 15.802 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.271 16.506 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.358 14.758 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.466 14.674 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.630 16.411 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.011 16.034 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.062 14.314 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.880 14.966 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.012 16.464 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.184 15.356 -0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.824 14.398 -0.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.955 13.884 -1.373 1.00 0.00 H new ATOM 617 N GLU A 44 -1.361 13.528 -4.851 1.00 0.00 N ATOM 618 CA GLU A 44 -1.955 12.179 -5.083 1.00 0.00 C ATOM 619 C GLU A 44 -0.879 11.193 -5.546 1.00 0.00 C ATOM 620 O GLU A 44 -0.071 11.498 -6.401 1.00 0.00 O ATOM 621 CB GLU A 44 -2.995 12.390 -6.184 1.00 0.00 C ATOM 622 CG GLU A 44 -4.357 12.683 -5.553 1.00 0.00 C ATOM 623 CD GLU A 44 -5.031 11.368 -5.159 1.00 0.00 C ATOM 624 OE1 GLU A 44 -4.861 10.398 -5.879 1.00 0.00 O ATOM 625 OE2 GLU A 44 -5.708 11.352 -4.143 1.00 0.00 O ATOM 0 H GLU A 44 -0.721 13.851 -5.576 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.395 11.763 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.695 13.217 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.058 11.503 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.234 13.318 -4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.985 13.229 -6.256 1.00 0.00 H new ATOM 632 N GLU A 45 -0.867 10.011 -4.989 1.00 0.00 N ATOM 633 CA GLU A 45 0.151 9.000 -5.398 1.00 0.00 C ATOM 634 C GLU A 45 -0.407 8.122 -6.523 1.00 0.00 C ATOM 635 O GLU A 45 -1.600 7.911 -6.619 1.00 0.00 O ATOM 636 CB GLU A 45 0.408 8.165 -4.143 1.00 0.00 C ATOM 637 CG GLU A 45 1.711 7.380 -4.308 1.00 0.00 C ATOM 638 CD GLU A 45 1.878 6.414 -3.134 1.00 0.00 C ATOM 639 OE1 GLU A 45 0.892 5.814 -2.740 1.00 0.00 O ATOM 640 OE2 GLU A 45 2.991 6.291 -2.648 1.00 0.00 O ATOM 0 H GLU A 45 -1.519 9.702 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 45 1.065 9.459 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.470 8.813 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.422 7.480 -3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.699 6.828 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.558 8.065 -4.352 1.00 0.00 H new ATOM 647 N PHE A 46 0.443 7.616 -7.376 1.00 0.00 N ATOM 648 CA PHE A 46 -0.045 6.760 -8.494 1.00 0.00 C ATOM 649 C PHE A 46 0.737 5.445 -8.542 1.00 0.00 C ATOM 650 O PHE A 46 1.924 5.407 -8.282 1.00 0.00 O ATOM 651 CB PHE A 46 0.214 7.578 -9.759 1.00 0.00 C ATOM 652 CG PHE A 46 -1.052 8.291 -10.172 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.335 9.564 -9.666 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.941 7.679 -11.063 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.507 10.227 -10.050 1.00 0.00 C ATOM 656 CE2 PHE A 46 -3.114 8.339 -11.447 1.00 0.00 C ATOM 657 CZ PHE A 46 -3.397 9.614 -10.940 1.00 0.00 C ATOM 0 H PHE A 46 1.453 7.759 -7.346 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.097 6.499 -8.380 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.009 8.302 -9.579 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.554 6.925 -10.563 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.649 10.036 -8.978 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.722 6.697 -11.455 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.724 11.210 -9.660 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.800 7.866 -12.134 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.302 10.124 -11.236 1.00 0.00 H new ATOM 667 N ALA A 47 0.082 4.371 -8.886 1.00 0.00 N ATOM 668 CA ALA A 47 0.784 3.060 -8.969 1.00 0.00 C ATOM 669 C ALA A 47 1.106 2.753 -10.431 1.00 0.00 C ATOM 670 O ALA A 47 0.246 2.819 -11.288 1.00 0.00 O ATOM 671 CB ALA A 47 -0.208 2.039 -8.409 1.00 0.00 C ATOM 0 H ALA A 47 -0.912 4.345 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 47 1.723 3.048 -8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.238 1.045 -8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.454 2.298 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.116 2.046 -9.011 1.00 0.00 H new ATOM 677 N VAL A 48 2.335 2.432 -10.732 1.00 0.00 N ATOM 678 CA VAL A 48 2.695 2.139 -12.146 1.00 0.00 C ATOM 679 C VAL A 48 3.685 0.976 -12.202 1.00 0.00 C ATOM 680 O VAL A 48 4.506 0.828 -11.319 1.00 0.00 O ATOM 681 CB VAL A 48 3.333 3.433 -12.662 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.321 4.577 -12.559 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.564 3.771 -11.816 1.00 0.00 C ATOM 0 H VAL A 48 3.101 2.361 -10.062 1.00 0.00 H new ATOM 0 HA VAL A 48 1.835 1.846 -12.749 1.00 0.00 H new ATOM 0 HB VAL A 48 3.631 3.299 -13.702 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.774 5.498 -12.926 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.442 4.341 -13.159 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.025 4.708 -11.518 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.017 4.692 -12.184 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.265 3.904 -10.776 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.287 2.958 -11.885 1.00 0.00 H new ATOM 693 N PRO A 49 3.579 0.179 -13.236 1.00 0.00 N ATOM 694 CA PRO A 49 4.484 -0.984 -13.383 1.00 0.00 C ATOM 695 C PRO A 49 5.915 -0.515 -13.646 1.00 0.00 C ATOM 696 O PRO A 49 6.179 0.210 -14.585 1.00 0.00 O ATOM 697 CB PRO A 49 3.909 -1.745 -14.574 1.00 0.00 C ATOM 698 CG PRO A 49 3.149 -0.720 -15.353 1.00 0.00 C ATOM 699 CD PRO A 49 2.632 0.283 -14.355 1.00 0.00 C ATOM 0 HA PRO A 49 4.538 -1.606 -12.489 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.700 -2.193 -15.176 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.258 -2.556 -14.248 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.792 -0.238 -16.089 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.327 -1.181 -15.901 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.613 1.290 -14.772 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.615 0.049 -14.042 1.00 0.00 H new ATOM 707 N GLU A 50 6.826 -0.914 -12.797 1.00 0.00 N ATOM 708 CA GLU A 50 8.264 -0.506 -12.930 1.00 0.00 C ATOM 709 C GLU A 50 8.682 -0.294 -14.396 1.00 0.00 C ATOM 710 O GLU A 50 9.423 0.619 -14.705 1.00 0.00 O ATOM 711 CB GLU A 50 9.059 -1.657 -12.293 1.00 0.00 C ATOM 712 CG GLU A 50 8.946 -2.924 -13.148 1.00 0.00 C ATOM 713 CD GLU A 50 10.056 -2.944 -14.204 1.00 0.00 C ATOM 714 OE1 GLU A 50 10.817 -1.992 -14.260 1.00 0.00 O ATOM 715 OE2 GLU A 50 10.127 -3.916 -14.938 1.00 0.00 O ATOM 0 H GLU A 50 6.633 -1.519 -11.999 1.00 0.00 H new ATOM 0 HA GLU A 50 8.448 0.451 -12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.106 -1.371 -12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.684 -1.854 -11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.019 -3.808 -12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.971 -2.960 -13.633 1.00 0.00 H new ATOM 722 N ASN A 51 8.222 -1.114 -15.300 1.00 0.00 N ATOM 723 CA ASN A 51 8.615 -0.928 -16.729 1.00 0.00 C ATOM 724 C ASN A 51 7.594 -0.045 -17.454 1.00 0.00 C ATOM 725 O ASN A 51 7.119 -0.378 -18.522 1.00 0.00 O ATOM 726 CB ASN A 51 8.644 -2.336 -17.330 1.00 0.00 C ATOM 727 CG ASN A 51 7.256 -2.974 -17.232 1.00 0.00 C ATOM 728 OD1 ASN A 51 6.403 -2.494 -16.516 1.00 0.00 O ATOM 729 ND2 ASN A 51 6.995 -4.046 -17.930 1.00 0.00 N ATOM 0 H ASN A 51 7.597 -1.898 -15.116 1.00 0.00 H new ATOM 0 HA ASN A 51 9.581 -0.432 -16.826 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.959 -2.289 -18.372 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.374 -2.951 -16.803 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.074 -4.480 -17.873 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.712 -4.450 -18.532 1.00 0.00 H new ATOM 736 N SER A 52 7.260 1.079 -16.880 1.00 0.00 N ATOM 737 CA SER A 52 6.275 1.991 -17.532 1.00 0.00 C ATOM 738 C SER A 52 6.958 3.302 -17.933 1.00 0.00 C ATOM 739 O SER A 52 7.369 4.080 -17.094 1.00 0.00 O ATOM 740 CB SER A 52 5.206 2.246 -16.469 1.00 0.00 C ATOM 741 OG SER A 52 4.599 3.512 -16.699 1.00 0.00 O ATOM 0 H SER A 52 7.627 1.406 -15.986 1.00 0.00 H new ATOM 0 HA SER A 52 5.851 1.562 -18.440 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.453 1.459 -16.500 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.653 2.221 -15.475 1.00 0.00 H new ATOM 0 HG SER A 52 3.913 3.674 -16.018 1.00 0.00 H new ATOM 747 N SER A 53 7.079 3.554 -19.209 1.00 0.00 N ATOM 748 CA SER A 53 7.731 4.818 -19.661 1.00 0.00 C ATOM 749 C SER A 53 6.881 6.018 -19.240 1.00 0.00 C ATOM 750 O SER A 53 5.670 5.937 -19.173 1.00 0.00 O ATOM 751 CB SER A 53 7.795 4.712 -21.185 1.00 0.00 C ATOM 752 OG SER A 53 8.681 3.660 -21.545 1.00 0.00 O ATOM 0 H SER A 53 6.755 2.941 -19.957 1.00 0.00 H new ATOM 0 HA SER A 53 8.721 4.955 -19.225 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.801 4.521 -21.590 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.138 5.654 -21.613 1.00 0.00 H new ATOM 0 HG SER A 53 8.723 3.588 -22.521 1.00 0.00 H new ATOM 758 N VAL A 54 7.502 7.132 -18.955 1.00 0.00 N ATOM 759 CA VAL A 54 6.723 8.334 -18.537 1.00 0.00 C ATOM 760 C VAL A 54 5.683 8.697 -19.595 1.00 0.00 C ATOM 761 O VAL A 54 4.622 9.165 -19.274 1.00 0.00 O ATOM 762 CB VAL A 54 7.737 9.463 -18.367 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.999 10.763 -18.005 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.712 9.097 -17.244 1.00 0.00 C ATOM 0 H VAL A 54 8.513 7.261 -18.993 1.00 0.00 H new ATOM 0 HA VAL A 54 6.180 8.150 -17.610 1.00 0.00 H new ATOM 0 HB VAL A 54 8.287 9.607 -19.297 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.722 11.570 -17.883 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.300 11.019 -18.802 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.451 10.623 -17.073 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.439 9.899 -17.117 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.160 8.957 -16.314 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.232 8.174 -17.500 1.00 0.00 H new ATOM 774 N GLN A 55 5.982 8.504 -20.853 1.00 0.00 N ATOM 775 CA GLN A 55 4.992 8.865 -21.918 1.00 0.00 C ATOM 776 C GLN A 55 3.607 8.291 -21.583 1.00 0.00 C ATOM 777 O GLN A 55 2.601 8.964 -21.706 1.00 0.00 O ATOM 778 CB GLN A 55 5.538 8.228 -23.199 1.00 0.00 C ATOM 779 CG GLN A 55 6.153 9.312 -24.088 1.00 0.00 C ATOM 780 CD GLN A 55 5.042 10.191 -24.664 1.00 0.00 C ATOM 781 OE1 GLN A 55 4.158 9.707 -25.342 1.00 0.00 O ATOM 782 NE2 GLN A 55 5.048 11.473 -24.420 1.00 0.00 N ATOM 0 H GLN A 55 6.862 8.115 -21.190 1.00 0.00 H new ATOM 0 HA GLN A 55 4.871 9.944 -22.015 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.288 7.476 -22.953 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.737 7.716 -23.733 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.849 9.920 -23.510 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.724 8.854 -24.895 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.790 11.880 -23.851 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.311 12.068 -24.799 1.00 0.00 H new ATOM 791 N GLN A 56 3.549 7.061 -21.146 1.00 0.00 N ATOM 792 CA GLN A 56 2.231 6.456 -20.790 1.00 0.00 C ATOM 793 C GLN A 56 1.664 7.136 -19.539 1.00 0.00 C ATOM 794 O GLN A 56 0.547 7.616 -19.532 1.00 0.00 O ATOM 795 CB GLN A 56 2.532 4.982 -20.511 1.00 0.00 C ATOM 796 CG GLN A 56 1.230 4.245 -20.190 1.00 0.00 C ATOM 797 CD GLN A 56 1.331 2.792 -20.661 1.00 0.00 C ATOM 798 OE1 GLN A 56 2.233 2.438 -21.394 1.00 0.00 O ATOM 799 NE2 GLN A 56 0.436 1.929 -20.266 1.00 0.00 N ATOM 0 H GLN A 56 4.356 6.449 -21.020 1.00 0.00 H new ATOM 0 HA GLN A 56 1.492 6.575 -21.582 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.015 4.529 -21.377 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.227 4.894 -19.676 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.037 4.277 -19.118 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.391 4.739 -20.680 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.322 2.225 -19.651 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.494 0.958 -20.573 1.00 0.00 H new ATOM 808 N PHE A 57 2.432 7.181 -18.485 1.00 0.00 N ATOM 809 CA PHE A 57 1.957 7.833 -17.226 1.00 0.00 C ATOM 810 C PHE A 57 1.626 9.307 -17.481 1.00 0.00 C ATOM 811 O PHE A 57 0.695 9.851 -16.921 1.00 0.00 O ATOM 812 CB PHE A 57 3.126 7.705 -16.246 1.00 0.00 C ATOM 813 CG PHE A 57 2.741 8.308 -14.916 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.715 7.733 -14.157 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.408 9.444 -14.444 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.358 8.293 -12.924 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.052 10.005 -13.211 1.00 0.00 C ATOM 818 CZ PHE A 57 2.026 9.429 -12.451 1.00 0.00 C ATOM 0 H PHE A 57 3.374 6.793 -18.439 1.00 0.00 H new ATOM 0 HA PHE A 57 1.049 7.369 -16.840 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.393 6.656 -16.117 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.005 8.211 -16.645 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.199 6.858 -14.522 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.198 9.889 -15.031 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.567 7.849 -12.338 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.568 10.881 -12.847 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.750 9.861 -11.500 1.00 0.00 H new ATOM 828 N LYS A 58 2.393 9.955 -18.316 1.00 0.00 N ATOM 829 CA LYS A 58 2.143 11.396 -18.611 1.00 0.00 C ATOM 830 C LYS A 58 0.720 11.575 -19.144 1.00 0.00 C ATOM 831 O LYS A 58 0.012 12.486 -18.761 1.00 0.00 O ATOM 832 CB LYS A 58 3.166 11.775 -19.687 1.00 0.00 C ATOM 833 CG LYS A 58 4.216 12.715 -19.092 1.00 0.00 C ATOM 834 CD LYS A 58 4.833 13.564 -20.205 1.00 0.00 C ATOM 835 CE LYS A 58 3.769 14.497 -20.787 1.00 0.00 C ATOM 836 NZ LYS A 58 4.534 15.547 -21.514 1.00 0.00 N ATOM 0 H LYS A 58 3.187 9.546 -18.809 1.00 0.00 H new ATOM 0 HA LYS A 58 2.242 12.022 -17.724 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.647 10.878 -20.078 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.664 12.259 -20.525 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.759 13.359 -18.341 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.992 12.138 -18.588 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.667 14.146 -19.813 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.234 12.920 -20.988 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.099 13.961 -21.459 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.152 14.931 -20.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.950 16.403 -21.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.402 15.772 -20.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.785 15.200 -22.462 1.00 0.00 H new ATOM 850 N GLU A 59 0.297 10.703 -20.020 1.00 0.00 N ATOM 851 CA GLU A 59 -1.083 10.810 -20.575 1.00 0.00 C ATOM 852 C GLU A 59 -2.102 10.321 -19.540 1.00 0.00 C ATOM 853 O GLU A 59 -3.261 10.685 -19.577 1.00 0.00 O ATOM 854 CB GLU A 59 -1.089 9.902 -21.806 1.00 0.00 C ATOM 855 CG GLU A 59 -2.445 10.001 -22.512 1.00 0.00 C ATOM 856 CD GLU A 59 -3.290 8.772 -22.174 1.00 0.00 C ATOM 857 OE1 GLU A 59 -3.208 8.312 -21.047 1.00 0.00 O ATOM 858 OE2 GLU A 59 -4.006 8.311 -23.048 1.00 0.00 O ATOM 0 H GLU A 59 0.848 9.921 -20.375 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.350 11.836 -20.828 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.290 10.193 -22.489 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.896 8.871 -21.510 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.963 10.908 -22.201 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.301 10.070 -23.590 1.00 0.00 H new ATOM 865 N ALA A 60 -1.676 9.499 -18.617 1.00 0.00 N ATOM 866 CA ALA A 60 -2.616 8.985 -17.577 1.00 0.00 C ATOM 867 C ALA A 60 -3.158 10.145 -16.736 1.00 0.00 C ATOM 868 O ALA A 60 -4.345 10.244 -16.493 1.00 0.00 O ATOM 869 CB ALA A 60 -1.778 8.042 -16.712 1.00 0.00 C ATOM 0 H ALA A 60 -0.717 9.161 -18.538 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.477 8.478 -18.014 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.401 7.623 -15.922 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.384 7.235 -17.330 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.951 8.595 -16.267 1.00 0.00 H new ATOM 875 N ILE A 61 -2.297 11.022 -16.293 1.00 0.00 N ATOM 876 CA ILE A 61 -2.765 12.178 -15.470 1.00 0.00 C ATOM 877 C ILE A 61 -3.747 13.029 -16.284 1.00 0.00 C ATOM 878 O ILE A 61 -4.740 13.504 -15.776 1.00 0.00 O ATOM 879 CB ILE A 61 -1.490 12.965 -15.129 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.772 12.274 -13.965 1.00 0.00 C ATOM 881 CG2 ILE A 61 -1.841 14.402 -14.721 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.498 13.050 -13.604 1.00 0.00 C ATOM 0 H ILE A 61 -1.292 10.989 -16.464 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.293 11.870 -14.567 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.845 12.994 -16.007 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.433 12.218 -13.100 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.518 11.250 -14.239 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.927 14.946 -14.483 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.355 14.899 -15.544 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.491 14.383 -13.846 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.004 12.554 -12.776 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.162 13.083 -14.468 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.233 14.066 -13.311 1.00 0.00 H new ATOM 894 N SER A 62 -3.478 13.224 -17.545 1.00 0.00 N ATOM 895 CA SER A 62 -4.400 14.045 -18.384 1.00 0.00 C ATOM 896 C SER A 62 -5.833 13.510 -18.287 1.00 0.00 C ATOM 897 O SER A 62 -6.762 14.245 -18.020 1.00 0.00 O ATOM 898 CB SER A 62 -3.871 13.904 -19.810 1.00 0.00 C ATOM 899 OG SER A 62 -4.792 14.503 -20.714 1.00 0.00 O ATOM 0 H SER A 62 -2.662 12.852 -18.031 1.00 0.00 H new ATOM 0 HA SER A 62 -4.430 15.085 -18.061 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.895 14.382 -19.897 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.734 12.851 -20.057 1.00 0.00 H new ATOM 0 HG SER A 62 -4.639 14.153 -21.617 1.00 0.00 H new ATOM 905 N LYS A 63 -6.020 12.238 -18.514 1.00 0.00 N ATOM 906 CA LYS A 63 -7.395 11.657 -18.447 1.00 0.00 C ATOM 907 C LYS A 63 -7.940 11.654 -17.011 1.00 0.00 C ATOM 908 O LYS A 63 -9.017 12.152 -16.750 1.00 0.00 O ATOM 909 CB LYS A 63 -7.241 10.225 -18.959 1.00 0.00 C ATOM 910 CG LYS A 63 -6.766 10.249 -20.414 1.00 0.00 C ATOM 911 CD LYS A 63 -7.861 10.846 -21.300 1.00 0.00 C ATOM 912 CE LYS A 63 -7.937 10.067 -22.616 1.00 0.00 C ATOM 913 NZ LYS A 63 -8.885 10.839 -23.466 1.00 0.00 N ATOM 0 H LYS A 63 -5.280 11.574 -18.743 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.102 12.241 -19.036 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.526 9.682 -18.341 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.192 9.697 -18.885 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.853 10.838 -20.500 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.526 9.239 -20.746 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.821 10.806 -20.786 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.650 11.897 -21.499 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.957 9.991 -23.087 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.292 9.050 -22.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.989 10.367 -24.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.811 10.889 -22.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.517 11.801 -23.610 1.00 0.00 H new ATOM 927 N ARG A 64 -7.220 11.075 -16.083 1.00 0.00 N ATOM 928 CA ARG A 64 -7.720 11.022 -14.672 1.00 0.00 C ATOM 929 C ARG A 64 -7.651 12.398 -13.999 1.00 0.00 C ATOM 930 O ARG A 64 -8.633 12.892 -13.481 1.00 0.00 O ATOM 931 CB ARG A 64 -6.790 10.037 -13.963 1.00 0.00 C ATOM 932 CG ARG A 64 -7.175 8.606 -14.344 1.00 0.00 C ATOM 933 CD ARG A 64 -8.547 8.272 -13.755 1.00 0.00 C ATOM 934 NE ARG A 64 -8.533 6.796 -13.560 1.00 0.00 N ATOM 935 CZ ARG A 64 -8.704 6.001 -14.582 1.00 0.00 C ATOM 936 NH1 ARG A 64 -9.689 6.209 -15.412 1.00 0.00 N ATOM 937 NH2 ARG A 64 -7.890 4.999 -14.772 1.00 0.00 N ATOM 0 H ARG A 64 -6.312 10.638 -16.239 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.765 10.716 -14.630 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.755 10.233 -14.242 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.859 10.168 -12.883 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.198 8.501 -15.429 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.427 7.906 -13.972 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.709 8.793 -12.812 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.350 8.574 -14.428 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.390 6.406 -12.629 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.325 6.992 -15.263 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.823 5.588 -16.210 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.120 4.837 -14.122 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.023 4.378 -15.570 1.00 0.00 H new ATOM 951 N PHE A 65 -6.501 13.015 -13.999 1.00 0.00 N ATOM 952 CA PHE A 65 -6.369 14.357 -13.354 1.00 0.00 C ATOM 953 C PHE A 65 -7.155 15.408 -14.144 1.00 0.00 C ATOM 954 O PHE A 65 -7.727 16.319 -13.579 1.00 0.00 O ATOM 955 CB PHE A 65 -4.871 14.670 -13.364 1.00 0.00 C ATOM 956 CG PHE A 65 -4.417 15.029 -11.968 1.00 0.00 C ATOM 957 CD1 PHE A 65 -5.081 16.031 -11.250 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.333 14.357 -11.392 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.661 16.361 -9.957 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.912 14.686 -10.098 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.575 15.688 -9.380 1.00 0.00 C ATOM 0 H PHE A 65 -5.646 12.650 -14.417 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.770 14.365 -12.340 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.312 13.808 -13.728 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.666 15.495 -14.047 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.918 16.549 -11.695 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.821 13.584 -11.946 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.173 17.134 -9.403 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.076 14.167 -9.654 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.250 15.943 -8.382 1.00 0.00 H new ATOM 971 N LYS A 66 -7.172 15.291 -15.450 1.00 0.00 N ATOM 972 CA LYS A 66 -7.906 16.280 -16.304 1.00 0.00 C ATOM 973 C LYS A 66 -7.154 17.613 -16.329 1.00 0.00 C ATOM 974 O LYS A 66 -7.538 18.570 -15.686 1.00 0.00 O ATOM 975 CB LYS A 66 -9.291 16.449 -15.669 1.00 0.00 C ATOM 976 CG LYS A 66 -10.330 16.693 -16.766 1.00 0.00 C ATOM 977 CD LYS A 66 -10.905 15.354 -17.232 1.00 0.00 C ATOM 978 CE LYS A 66 -11.836 15.583 -18.424 1.00 0.00 C ATOM 979 NZ LYS A 66 -13.175 15.836 -17.823 1.00 0.00 N ATOM 0 H LYS A 66 -6.705 14.546 -15.966 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.989 15.938 -17.336 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.552 15.558 -15.098 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.282 17.285 -14.969 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.128 17.332 -16.390 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.872 17.216 -17.606 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.097 14.678 -17.513 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.451 14.878 -16.417 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.507 16.430 -19.025 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.856 14.714 -19.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.869 16.002 -18.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.465 15.010 -17.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.127 16.673 -17.207 1.00 0.00 H new ATOM 993 N SER A 67 -6.081 17.675 -17.073 1.00 0.00 N ATOM 994 CA SER A 67 -5.290 18.938 -17.153 1.00 0.00 C ATOM 995 C SER A 67 -4.385 18.907 -18.390 1.00 0.00 C ATOM 996 O SER A 67 -4.677 18.240 -19.364 1.00 0.00 O ATOM 997 CB SER A 67 -4.456 18.962 -15.873 1.00 0.00 C ATOM 998 OG SER A 67 -3.882 20.253 -15.712 1.00 0.00 O ATOM 0 H SER A 67 -5.717 16.902 -17.631 1.00 0.00 H new ATOM 0 HA SER A 67 -5.920 19.823 -17.241 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.081 18.719 -15.013 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.672 18.206 -15.921 1.00 0.00 H new ATOM 0 HG SER A 67 -3.347 20.273 -14.891 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.290 19.620 -18.360 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.369 19.625 -19.536 1.00 0.00 C ATOM 1006 C GLN A 68 -1.647 18.279 -19.646 1.00 0.00 C ATOM 1007 O GLN A 68 -1.638 17.492 -18.719 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.370 20.751 -19.260 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.657 21.933 -20.190 1.00 0.00 C ATOM 1010 CD GLN A 68 -1.248 21.569 -21.618 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -1.770 20.635 -22.193 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.329 22.274 -22.220 1.00 0.00 N ATOM 0 H GLN A 68 -2.993 20.198 -17.574 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.901 19.779 -20.475 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.443 21.068 -18.220 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.352 20.393 -19.414 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.717 22.186 -20.157 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.108 22.814 -19.856 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.110 23.058 -21.738 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.050 22.040 -23.173 1.00 0.00 H new ATOM 1021 N THR A 69 -1.040 18.009 -20.771 1.00 0.00 N ATOM 1022 CA THR A 69 -0.318 16.714 -20.941 1.00 0.00 C ATOM 1023 C THR A 69 1.037 16.947 -21.615 1.00 0.00 C ATOM 1024 O THR A 69 2.076 16.634 -21.064 1.00 0.00 O ATOM 1025 CB THR A 69 -1.224 15.867 -21.838 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.575 16.028 -21.428 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.825 14.394 -21.723 1.00 0.00 C ATOM 0 H THR A 69 -1.013 18.630 -21.580 1.00 0.00 H new ATOM 0 HA THR A 69 -0.118 16.226 -19.987 1.00 0.00 H new ATOM 0 HB THR A 69 -1.117 16.190 -22.874 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.158 15.488 -22.002 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.470 13.791 -22.362 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.212 14.272 -22.037 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.932 14.068 -20.688 1.00 0.00 H new ATOM 1035 N ASP A 70 1.036 17.493 -22.802 1.00 0.00 N ATOM 1036 CA ASP A 70 2.326 17.748 -23.513 1.00 0.00 C ATOM 1037 C ASP A 70 3.238 18.630 -22.655 1.00 0.00 C ATOM 1038 O ASP A 70 4.222 18.173 -22.107 1.00 0.00 O ATOM 1039 CB ASP A 70 1.935 18.474 -24.801 1.00 0.00 C ATOM 1040 CG ASP A 70 1.564 17.450 -25.874 1.00 0.00 C ATOM 1041 OD1 ASP A 70 2.455 17.022 -26.589 1.00 0.00 O ATOM 1042 OD2 ASP A 70 0.395 17.112 -25.963 1.00 0.00 O ATOM 0 H ASP A 70 0.198 17.774 -23.311 1.00 0.00 H new ATOM 0 HA ASP A 70 2.873 16.827 -23.716 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.093 19.141 -24.614 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.762 19.094 -25.146 1.00 0.00 H new ATOM 1047 N GLN A 71 2.913 19.890 -22.532 1.00 0.00 N ATOM 1048 CA GLN A 71 3.755 20.805 -21.705 1.00 0.00 C ATOM 1049 C GLN A 71 3.852 20.282 -20.268 1.00 0.00 C ATOM 1050 O GLN A 71 4.791 20.574 -19.555 1.00 0.00 O ATOM 1051 CB GLN A 71 3.029 22.151 -21.737 1.00 0.00 C ATOM 1052 CG GLN A 71 3.439 22.925 -22.991 1.00 0.00 C ATOM 1053 CD GLN A 71 2.779 24.305 -22.979 1.00 0.00 C ATOM 1054 OE1 GLN A 71 2.661 24.926 -21.940 1.00 0.00 O ATOM 1055 NE2 GLN A 71 2.340 24.815 -24.096 1.00 0.00 N ATOM 0 H GLN A 71 2.101 20.326 -22.969 1.00 0.00 H new ATOM 0 HA GLN A 71 4.774 20.882 -22.084 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.950 21.994 -21.731 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.272 22.728 -20.845 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.523 23.029 -23.028 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.141 22.376 -23.884 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.439 24.295 -24.968 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.898 25.734 -24.098 1.00 0.00 H new ATOM 1064 N LEU A 72 2.882 19.519 -19.840 1.00 0.00 N ATOM 1065 CA LEU A 72 2.907 18.979 -18.449 1.00 0.00 C ATOM 1066 C LEU A 72 4.155 18.116 -18.223 1.00 0.00 C ATOM 1067 O LEU A 72 4.445 17.211 -18.980 1.00 0.00 O ATOM 1068 CB LEU A 72 1.643 18.127 -18.333 1.00 0.00 C ATOM 1069 CG LEU A 72 1.341 17.856 -16.858 1.00 0.00 C ATOM 1070 CD1 LEU A 72 0.644 19.073 -16.247 1.00 0.00 C ATOM 1071 CD2 LEU A 72 0.428 16.635 -16.741 1.00 0.00 C ATOM 0 H LEU A 72 2.071 19.246 -20.395 1.00 0.00 H new ATOM 0 HA LEU A 72 2.939 19.775 -17.705 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.802 18.641 -18.799 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.776 17.186 -18.866 1.00 0.00 H new ATOM 0 HG LEU A 72 2.273 17.666 -16.326 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.429 18.880 -15.196 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.294 19.944 -16.330 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.288 19.264 -16.779 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.212 16.441 -15.690 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.504 16.825 -17.274 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.924 15.767 -17.176 1.00 0.00 H new ATOM 1083 N VAL A 73 4.886 18.393 -17.177 1.00 0.00 N ATOM 1084 CA VAL A 73 6.114 17.597 -16.874 1.00 0.00 C ATOM 1085 C VAL A 73 6.355 17.597 -15.362 1.00 0.00 C ATOM 1086 O VAL A 73 5.746 18.359 -14.636 1.00 0.00 O ATOM 1087 CB VAL A 73 7.248 18.323 -17.605 1.00 0.00 C ATOM 1088 CG1 VAL A 73 8.588 17.660 -17.268 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.012 18.244 -19.115 1.00 0.00 C ATOM 0 H VAL A 73 4.685 19.142 -16.514 1.00 0.00 H new ATOM 0 HA VAL A 73 6.036 16.557 -17.192 1.00 0.00 H new ATOM 0 HB VAL A 73 7.270 19.366 -17.290 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.392 18.179 -17.790 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.760 17.712 -16.193 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.567 16.616 -17.581 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.818 18.760 -19.637 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.989 17.199 -19.426 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.061 18.716 -19.360 1.00 0.00 H new ATOM 1099 N LEU A 74 7.230 16.757 -14.874 1.00 0.00 N ATOM 1100 CA LEU A 74 7.485 16.736 -13.407 1.00 0.00 C ATOM 1101 C LEU A 74 8.940 17.105 -13.120 1.00 0.00 C ATOM 1102 O LEU A 74 9.850 16.605 -13.747 1.00 0.00 O ATOM 1103 CB LEU A 74 7.197 15.298 -12.977 1.00 0.00 C ATOM 1104 CG LEU A 74 5.866 15.238 -12.226 1.00 0.00 C ATOM 1105 CD1 LEU A 74 4.755 14.827 -13.193 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.967 14.210 -11.096 1.00 0.00 C ATOM 0 H LEU A 74 7.774 16.091 -15.423 1.00 0.00 H new ATOM 0 HA LEU A 74 6.866 17.453 -12.868 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.161 14.648 -13.851 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.002 14.931 -12.339 1.00 0.00 H new ATOM 0 HG LEU A 74 5.638 16.218 -11.807 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.806 14.784 -12.659 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.685 15.558 -13.999 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.981 13.846 -13.611 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.019 14.165 -10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.193 13.230 -11.515 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.760 14.502 -10.408 1.00 0.00 H new ATOM 1118 N ILE A 75 9.165 17.979 -12.179 1.00 0.00 N ATOM 1119 CA ILE A 75 10.562 18.379 -11.853 1.00 0.00 C ATOM 1120 C ILE A 75 11.123 17.478 -10.754 1.00 0.00 C ATOM 1121 O ILE A 75 10.824 17.647 -9.586 1.00 0.00 O ATOM 1122 CB ILE A 75 10.462 19.825 -11.365 1.00 0.00 C ATOM 1123 CG1 ILE A 75 9.850 20.698 -12.468 1.00 0.00 C ATOM 1124 CG2 ILE A 75 11.860 20.346 -11.015 1.00 0.00 C ATOM 1125 CD1 ILE A 75 10.711 20.618 -13.731 1.00 0.00 C ATOM 0 H ILE A 75 8.442 18.434 -11.622 1.00 0.00 H new ATOM 0 HA ILE A 75 11.228 18.288 -12.711 1.00 0.00 H new ATOM 0 HB ILE A 75 9.829 19.865 -10.479 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.835 20.365 -12.687 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.780 21.732 -12.129 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.788 21.377 -10.667 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.293 19.727 -10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.495 20.305 -11.900 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.272 21.240 -14.511 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.717 20.972 -13.508 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.758 19.585 -14.074 1.00 0.00 H new ATOM 1137 N PHE A 76 11.930 16.519 -11.123 1.00 0.00 N ATOM 1138 CA PHE A 76 12.518 15.598 -10.104 1.00 0.00 C ATOM 1139 C PHE A 76 13.545 16.337 -9.240 1.00 0.00 C ATOM 1140 O PHE A 76 14.715 16.006 -9.231 1.00 0.00 O ATOM 1141 CB PHE A 76 13.202 14.493 -10.910 1.00 0.00 C ATOM 1142 CG PHE A 76 13.689 13.416 -9.970 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.791 12.791 -9.098 1.00 0.00 C ATOM 1144 CD2 PHE A 76 15.041 13.048 -9.965 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.242 11.797 -8.221 1.00 0.00 C ATOM 1146 CE2 PHE A 76 15.492 12.054 -9.088 1.00 0.00 C ATOM 1147 CZ PHE A 76 14.593 11.429 -8.216 1.00 0.00 C ATOM 0 H PHE A 76 12.208 16.333 -12.086 1.00 0.00 H new ATOM 0 HA PHE A 76 11.759 15.204 -9.428 1.00 0.00 H new ATOM 0 HB2 PHE A 76 12.505 14.071 -11.634 1.00 0.00 H new ATOM 0 HB3 PHE A 76 14.039 14.904 -11.475 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.749 13.075 -9.101 1.00 0.00 H new ATOM 0 HD2 PHE A 76 15.735 13.531 -10.637 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.548 11.314 -7.549 1.00 0.00 H new ATOM 0 HE2 PHE A 76 16.534 11.769 -9.084 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.941 10.663 -7.539 1.00 0.00 H new ATOM 1157 N ALA A 77 13.118 17.335 -8.508 1.00 0.00 N ATOM 1158 CA ALA A 77 14.064 18.097 -7.636 1.00 0.00 C ATOM 1159 C ALA A 77 15.302 18.535 -8.430 1.00 0.00 C ATOM 1160 O ALA A 77 16.367 18.725 -7.875 1.00 0.00 O ATOM 1161 CB ALA A 77 14.457 17.121 -6.527 1.00 0.00 C ATOM 0 H ALA A 77 12.150 17.656 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 77 13.610 19.006 -7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.153 17.608 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.566 16.814 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.933 16.244 -6.966 1.00 0.00 H new ATOM 1167 N GLY A 78 15.170 18.696 -9.719 1.00 0.00 N ATOM 1168 CA GLY A 78 16.339 19.123 -10.541 1.00 0.00 C ATOM 1169 C GLY A 78 16.237 18.512 -11.941 1.00 0.00 C ATOM 1170 O GLY A 78 16.396 19.191 -12.935 1.00 0.00 O ATOM 0 H GLY A 78 14.304 18.551 -10.238 1.00 0.00 H new ATOM 0 HA2 GLY A 78 16.370 20.210 -10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.266 18.808 -10.063 1.00 0.00 H new ATOM 1174 N LYS A 79 15.977 17.234 -12.024 1.00 0.00 N ATOM 1175 CA LYS A 79 15.869 16.580 -13.362 1.00 0.00 C ATOM 1176 C LYS A 79 14.466 16.789 -13.938 1.00 0.00 C ATOM 1177 O LYS A 79 13.699 17.596 -13.449 1.00 0.00 O ATOM 1178 CB LYS A 79 16.127 15.095 -13.099 1.00 0.00 C ATOM 1179 CG LYS A 79 17.573 14.754 -13.468 1.00 0.00 C ATOM 1180 CD LYS A 79 17.926 13.366 -12.927 1.00 0.00 C ATOM 1181 CE LYS A 79 17.835 12.338 -14.057 1.00 0.00 C ATOM 1182 NZ LYS A 79 19.068 12.545 -14.865 1.00 0.00 N ATOM 0 H LYS A 79 15.835 16.616 -11.225 1.00 0.00 H new ATOM 0 HA LYS A 79 16.574 16.993 -14.084 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.944 14.864 -12.050 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.438 14.486 -13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.698 14.776 -14.551 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.251 15.500 -13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.932 13.373 -12.508 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.246 13.095 -12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.786 11.322 -13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.939 12.490 -14.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.807 12.750 -15.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.608 13.344 -14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.652 11.685 -14.834 1.00 0.00 H new ATOM 1196 N ILE A 80 14.124 16.068 -14.973 1.00 0.00 N ATOM 1197 CA ILE A 80 12.767 16.227 -15.578 1.00 0.00 C ATOM 1198 C ILE A 80 12.039 14.894 -15.574 1.00 0.00 C ATOM 1199 O ILE A 80 12.204 14.093 -16.474 1.00 0.00 O ATOM 1200 CB ILE A 80 12.949 16.700 -17.038 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.408 16.538 -17.498 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.536 18.171 -17.154 1.00 0.00 C ATOM 1203 CD1 ILE A 80 15.306 17.522 -16.745 1.00 0.00 C ATOM 0 H ILE A 80 14.723 15.377 -15.425 1.00 0.00 H new ATOM 0 HA ILE A 80 12.185 16.949 -15.006 1.00 0.00 H new ATOM 0 HB ILE A 80 12.318 16.083 -17.679 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.743 15.516 -17.319 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.481 16.714 -18.571 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.664 18.505 -18.184 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.491 18.279 -16.865 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.159 18.777 -16.496 1.00 0.00 H new ATOM 0 HD11 ILE A 80 16.337 17.401 -17.077 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.978 18.542 -16.946 1.00 0.00 H new ATOM 0 HD13 ILE A 80 15.244 17.326 -15.675 1.00 0.00 H new ATOM 1215 N LEU A 81 11.220 14.653 -14.591 1.00 0.00 N ATOM 1216 CA LEU A 81 10.467 13.372 -14.573 1.00 0.00 C ATOM 1217 C LEU A 81 9.514 13.367 -15.767 1.00 0.00 C ATOM 1218 O LEU A 81 8.339 13.666 -15.647 1.00 0.00 O ATOM 1219 CB LEU A 81 9.694 13.355 -13.254 1.00 0.00 C ATOM 1220 CG LEU A 81 9.902 12.006 -12.559 1.00 0.00 C ATOM 1221 CD1 LEU A 81 10.989 12.143 -11.492 1.00 0.00 C ATOM 1222 CD2 LEU A 81 8.593 11.565 -11.901 1.00 0.00 C ATOM 0 H LEU A 81 11.041 15.281 -13.807 1.00 0.00 H new ATOM 0 HA LEU A 81 11.111 12.495 -14.644 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.035 14.165 -12.609 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.633 13.521 -13.440 1.00 0.00 H new ATOM 0 HG LEU A 81 10.208 11.262 -13.294 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.137 11.183 -10.998 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.922 12.457 -11.961 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.685 12.887 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.740 10.605 -11.406 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.287 12.309 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.819 11.466 -12.662 1.00 0.00 H new ATOM 1234 N LYS A 82 10.032 13.062 -16.924 1.00 0.00 N ATOM 1235 CA LYS A 82 9.191 13.059 -18.150 1.00 0.00 C ATOM 1236 C LYS A 82 9.571 11.880 -19.047 1.00 0.00 C ATOM 1237 O LYS A 82 10.117 10.893 -18.596 1.00 0.00 O ATOM 1238 CB LYS A 82 9.510 14.384 -18.841 1.00 0.00 C ATOM 1239 CG LYS A 82 8.278 14.868 -19.605 1.00 0.00 C ATOM 1240 CD LYS A 82 8.712 15.532 -20.914 1.00 0.00 C ATOM 1241 CE LYS A 82 9.538 16.783 -20.606 1.00 0.00 C ATOM 1242 NZ LYS A 82 9.090 17.794 -21.604 1.00 0.00 N ATOM 0 H LYS A 82 11.010 12.813 -17.072 1.00 0.00 H new ATOM 0 HA LYS A 82 8.129 12.957 -17.928 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.810 15.128 -18.103 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.349 14.257 -19.525 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.615 14.029 -19.814 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.715 15.575 -18.996 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.299 14.834 -21.510 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.836 15.799 -21.506 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.365 17.130 -19.587 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.606 16.584 -20.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.509 18.718 -21.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.395 17.502 -22.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.053 17.869 -21.581 1.00 0.00 H new ATOM 1256 N ASP A 83 9.295 11.981 -20.317 1.00 0.00 N ATOM 1257 CA ASP A 83 9.642 10.869 -21.250 1.00 0.00 C ATOM 1258 C ASP A 83 11.156 10.817 -21.467 1.00 0.00 C ATOM 1259 O ASP A 83 11.688 9.841 -21.958 1.00 0.00 O ATOM 1260 CB ASP A 83 8.912 11.197 -22.553 1.00 0.00 C ATOM 1261 CG ASP A 83 9.378 12.556 -23.083 1.00 0.00 C ATOM 1262 OD1 ASP A 83 10.540 12.664 -23.438 1.00 0.00 O ATOM 1263 OD2 ASP A 83 8.566 13.465 -23.122 1.00 0.00 O ATOM 0 H ASP A 83 8.844 12.786 -20.751 1.00 0.00 H new ATOM 0 HA ASP A 83 9.348 9.894 -20.862 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.106 10.422 -23.294 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.835 11.213 -22.383 1.00 0.00 H new ATOM 1268 N GLN A 84 11.853 11.859 -21.097 1.00 0.00 N ATOM 1269 CA GLN A 84 13.333 11.871 -21.273 1.00 0.00 C ATOM 1270 C GLN A 84 13.960 10.695 -20.519 1.00 0.00 C ATOM 1271 O GLN A 84 14.959 10.143 -20.937 1.00 0.00 O ATOM 1272 CB GLN A 84 13.798 13.203 -20.675 1.00 0.00 C ATOM 1273 CG GLN A 84 14.753 13.896 -21.648 1.00 0.00 C ATOM 1274 CD GLN A 84 13.970 14.883 -22.517 1.00 0.00 C ATOM 1275 OE1 GLN A 84 13.898 14.727 -23.719 1.00 0.00 O ATOM 1276 NE2 GLN A 84 13.375 15.899 -21.954 1.00 0.00 N ATOM 0 H GLN A 84 11.460 12.703 -20.680 1.00 0.00 H new ATOM 0 HA GLN A 84 13.626 11.774 -22.318 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.939 13.843 -20.475 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.296 13.031 -19.721 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.533 14.420 -21.097 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.249 13.156 -22.276 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.435 16.030 -20.944 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.849 16.562 -22.524 1.00 0.00 H new ATOM 1285 N ASP A 85 13.385 10.311 -19.408 1.00 0.00 N ATOM 1286 CA ASP A 85 13.958 9.171 -18.631 1.00 0.00 C ATOM 1287 C ASP A 85 12.845 8.331 -17.999 1.00 0.00 C ATOM 1288 O ASP A 85 11.709 8.754 -17.912 1.00 0.00 O ATOM 1289 CB ASP A 85 14.814 9.826 -17.546 1.00 0.00 C ATOM 1290 CG ASP A 85 16.203 10.134 -18.109 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.747 9.284 -18.793 1.00 0.00 O ATOM 1292 OD2 ASP A 85 16.700 11.218 -17.846 1.00 0.00 O ATOM 0 H ASP A 85 12.548 10.735 -19.007 1.00 0.00 H new ATOM 0 HA ASP A 85 14.536 8.497 -19.263 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.339 10.743 -17.198 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.898 9.164 -16.684 1.00 0.00 H new ATOM 1297 N THR A 86 13.165 7.142 -17.556 1.00 0.00 N ATOM 1298 CA THR A 86 12.130 6.272 -16.923 1.00 0.00 C ATOM 1299 C THR A 86 12.172 6.436 -15.402 1.00 0.00 C ATOM 1300 O THR A 86 13.191 6.780 -14.836 1.00 0.00 O ATOM 1301 CB THR A 86 12.503 4.840 -17.323 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.910 4.745 -17.500 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.797 4.472 -18.630 1.00 0.00 C ATOM 0 H THR A 86 14.100 6.736 -17.606 1.00 0.00 H new ATOM 0 HA THR A 86 11.121 6.528 -17.246 1.00 0.00 H new ATOM 0 HB THR A 86 12.190 4.153 -16.537 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.142 3.841 -17.800 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.063 3.454 -18.913 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.718 4.540 -18.492 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.106 5.160 -19.417 1.00 0.00 H new ATOM 1311 N LEU A 87 11.071 6.204 -14.738 1.00 0.00 N ATOM 1312 CA LEU A 87 11.051 6.361 -13.253 1.00 0.00 C ATOM 1313 C LEU A 87 11.940 5.314 -12.582 1.00 0.00 C ATOM 1314 O LEU A 87 12.732 5.632 -11.717 1.00 0.00 O ATOM 1315 CB LEU A 87 9.586 6.183 -12.849 1.00 0.00 C ATOM 1316 CG LEU A 87 9.079 7.477 -12.205 1.00 0.00 C ATOM 1317 CD1 LEU A 87 9.209 8.639 -13.197 1.00 0.00 C ATOM 1318 CD2 LEU A 87 7.613 7.309 -11.805 1.00 0.00 C ATOM 0 H LEU A 87 10.187 5.914 -15.157 1.00 0.00 H new ATOM 0 HA LEU A 87 11.439 7.331 -12.941 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.983 5.937 -13.723 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.488 5.352 -12.150 1.00 0.00 H new ATOM 0 HG LEU A 87 9.676 7.693 -11.319 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.847 9.556 -12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.255 8.763 -13.477 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.618 8.425 -14.087 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.253 8.230 -11.347 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.017 7.087 -12.691 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.522 6.490 -11.092 1.00 0.00 H new ATOM 1330 N ILE A 88 11.833 4.074 -12.974 1.00 0.00 N ATOM 1331 CA ILE A 88 12.697 3.031 -12.348 1.00 0.00 C ATOM 1332 C ILE A 88 14.165 3.319 -12.658 1.00 0.00 C ATOM 1333 O ILE A 88 15.060 2.837 -11.991 1.00 0.00 O ATOM 1334 CB ILE A 88 12.274 1.708 -12.982 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.352 1.814 -14.511 1.00 0.00 C ATOM 1336 CG2 ILE A 88 10.843 1.379 -12.558 1.00 0.00 C ATOM 1337 CD1 ILE A 88 13.339 0.777 -15.049 1.00 0.00 C ATOM 0 H ILE A 88 11.192 3.739 -13.693 1.00 0.00 H new ATOM 0 HA ILE A 88 12.588 3.009 -11.264 1.00 0.00 H new ATOM 0 HB ILE A 88 12.944 0.915 -12.648 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.366 1.653 -14.947 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.669 2.816 -14.800 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.538 0.435 -13.009 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.795 1.295 -11.472 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.174 2.173 -12.890 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.392 0.855 -16.135 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.326 0.959 -14.623 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.003 -0.223 -14.773 1.00 0.00 H new ATOM 1349 N GLN A 89 14.418 4.104 -13.672 1.00 0.00 N ATOM 1350 CA GLN A 89 15.824 4.425 -14.035 1.00 0.00 C ATOM 1351 C GLN A 89 16.303 5.670 -13.284 1.00 0.00 C ATOM 1352 O GLN A 89 17.490 5.909 -13.171 1.00 0.00 O ATOM 1353 CB GLN A 89 15.791 4.690 -15.541 1.00 0.00 C ATOM 1354 CG GLN A 89 17.216 4.919 -16.055 1.00 0.00 C ATOM 1355 CD GLN A 89 17.226 6.099 -17.030 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.954 7.220 -16.647 1.00 0.00 O ATOM 1357 NE2 GLN A 89 17.528 5.893 -18.281 1.00 0.00 N ATOM 0 H GLN A 89 13.708 4.536 -14.264 1.00 0.00 H new ATOM 0 HA GLN A 89 16.509 3.618 -13.773 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.338 3.845 -16.059 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.173 5.562 -15.753 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.887 5.119 -15.220 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.583 4.021 -16.551 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.756 4.952 -18.602 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.536 6.673 -18.939 1.00 0.00 H new ATOM 1366 N HIS A 90 15.400 6.474 -12.770 1.00 0.00 N ATOM 1367 CA HIS A 90 15.843 7.705 -12.036 1.00 0.00 C ATOM 1368 C HIS A 90 14.656 8.532 -11.530 1.00 0.00 C ATOM 1369 O HIS A 90 14.779 9.263 -10.567 1.00 0.00 O ATOM 1370 CB HIS A 90 16.630 8.523 -13.062 1.00 0.00 C ATOM 1371 CG HIS A 90 17.906 9.024 -12.441 1.00 0.00 C ATOM 1372 ND1 HIS A 90 19.077 9.163 -13.169 1.00 0.00 N ATOM 1373 CD2 HIS A 90 18.208 9.424 -11.163 1.00 0.00 C ATOM 1374 CE1 HIS A 90 20.022 9.628 -12.332 1.00 0.00 C ATOM 1375 NE2 HIS A 90 19.545 9.805 -11.097 1.00 0.00 N ATOM 0 H HIS A 90 14.391 6.335 -12.825 1.00 0.00 H new ATOM 0 HA HIS A 90 16.431 7.437 -11.158 1.00 0.00 H new ATOM 0 HB2 HIS A 90 16.855 7.910 -13.935 1.00 0.00 H new ATOM 0 HB3 HIS A 90 16.029 9.363 -13.410 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.514 9.441 -10.335 1.00 0.00 H new ATOM 0 HE1 HIS A 90 21.042 9.833 -12.623 1.00 0.00 H new ATOM 0 HE2 HIS A 90 20.052 10.146 -10.280 1.00 0.00 H new ATOM 1383 N GLY A 91 13.515 8.448 -12.168 1.00 0.00 N ATOM 1384 CA GLY A 91 12.356 9.264 -11.699 1.00 0.00 C ATOM 1385 C GLY A 91 12.053 8.905 -10.248 1.00 0.00 C ATOM 1386 O GLY A 91 11.953 9.762 -9.394 1.00 0.00 O ATOM 0 H GLY A 91 13.338 7.859 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 91 12.584 10.326 -11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 91 11.484 9.074 -12.324 1.00 0.00 H new ATOM 1390 N ILE A 92 11.930 7.642 -9.958 1.00 0.00 N ATOM 1391 CA ILE A 92 11.665 7.219 -8.560 1.00 0.00 C ATOM 1392 C ILE A 92 12.291 5.844 -8.338 1.00 0.00 C ATOM 1393 O ILE A 92 12.602 5.140 -9.280 1.00 0.00 O ATOM 1394 CB ILE A 92 10.142 7.149 -8.434 1.00 0.00 C ATOM 1395 CG1 ILE A 92 9.602 6.123 -9.431 1.00 0.00 C ATOM 1396 CG2 ILE A 92 9.530 8.522 -8.721 1.00 0.00 C ATOM 1397 CD1 ILE A 92 9.635 4.738 -8.790 1.00 0.00 C ATOM 0 H ILE A 92 12.002 6.881 -10.634 1.00 0.00 H new ATOM 0 HA ILE A 92 12.086 7.902 -7.822 1.00 0.00 H new ATOM 0 HB ILE A 92 9.875 6.850 -7.420 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.583 6.380 -9.720 1.00 0.00 H new ATOM 0 HG13 ILE A 92 10.202 6.131 -10.341 1.00 0.00 H new ATOM 0 HG21 ILE A 92 8.445 8.463 -8.629 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.916 9.249 -8.006 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.792 8.833 -9.732 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.251 4.001 -9.496 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.661 4.485 -8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.016 4.738 -7.893 1.00 0.00 H new ATOM 1409 N HIS A 93 12.471 5.446 -7.114 1.00 0.00 N ATOM 1410 CA HIS A 93 13.069 4.107 -6.858 1.00 0.00 C ATOM 1411 C HIS A 93 12.028 3.191 -6.209 1.00 0.00 C ATOM 1412 O HIS A 93 12.035 1.991 -6.405 1.00 0.00 O ATOM 1413 CB HIS A 93 14.242 4.364 -5.908 1.00 0.00 C ATOM 1414 CG HIS A 93 15.172 5.393 -6.503 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.223 5.662 -7.867 1.00 0.00 N ATOM 1416 CD2 HIS A 93 16.097 6.228 -5.925 1.00 0.00 C ATOM 1417 CE1 HIS A 93 16.148 6.621 -8.056 1.00 0.00 C ATOM 1418 NE2 HIS A 93 16.711 7.001 -6.906 1.00 0.00 N ATOM 0 H HIS A 93 12.232 5.985 -6.282 1.00 0.00 H new ATOM 0 HA HIS A 93 13.400 3.615 -7.773 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.871 4.712 -4.944 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.783 3.435 -5.725 1.00 0.00 H new ATOM 0 HD1 HIS A 93 14.662 5.214 -8.591 1.00 0.00 H new ATOM 0 HD2 HIS A 93 16.315 6.277 -4.868 1.00 0.00 H new ATOM 0 HE1 HIS A 93 16.404 7.033 -9.021 1.00 0.00 H new ATOM 1426 N ASP A 94 11.126 3.754 -5.446 1.00 0.00 N ATOM 1427 CA ASP A 94 10.065 2.934 -4.780 1.00 0.00 C ATOM 1428 C ASP A 94 9.154 3.844 -3.948 1.00 0.00 C ATOM 1429 O ASP A 94 8.723 3.487 -2.869 1.00 0.00 O ATOM 1430 CB ASP A 94 10.813 1.953 -3.871 1.00 0.00 C ATOM 1431 CG ASP A 94 9.809 1.027 -3.179 1.00 0.00 C ATOM 1432 OD1 ASP A 94 8.834 0.664 -3.814 1.00 0.00 O ATOM 1433 OD2 ASP A 94 10.034 0.699 -2.025 1.00 0.00 O ATOM 0 H ASP A 94 11.078 4.755 -5.254 1.00 0.00 H new ATOM 0 HA ASP A 94 9.436 2.411 -5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.521 1.366 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.392 2.500 -3.127 1.00 0.00 H new ATOM 1438 N GLY A 95 8.863 5.018 -4.440 1.00 0.00 N ATOM 1439 CA GLY A 95 7.986 5.953 -3.677 1.00 0.00 C ATOM 1440 C GLY A 95 8.717 7.282 -3.468 1.00 0.00 C ATOM 1441 O GLY A 95 9.169 7.586 -2.381 1.00 0.00 O ATOM 0 H GLY A 95 9.195 5.370 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.055 6.119 -4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.721 5.516 -2.714 1.00 0.00 H new ATOM 1445 N LEU A 96 8.837 8.073 -4.500 1.00 0.00 N ATOM 1446 CA LEU A 96 9.542 9.382 -4.363 1.00 0.00 C ATOM 1447 C LEU A 96 8.563 10.539 -4.588 1.00 0.00 C ATOM 1448 O LEU A 96 7.437 10.342 -5.002 1.00 0.00 O ATOM 1449 CB LEU A 96 10.618 9.370 -5.453 1.00 0.00 C ATOM 1450 CG LEU A 96 12.002 9.175 -4.822 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.294 10.324 -3.856 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.036 7.846 -4.061 1.00 0.00 C ATOM 0 H LEU A 96 8.477 7.870 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 96 9.969 9.517 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.418 8.569 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.592 10.306 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 96 12.757 9.163 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.278 10.183 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.274 11.269 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.538 10.340 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.020 7.708 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.279 7.856 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.834 7.027 -4.751 1.00 0.00 H new ATOM 1464 N THR A 97 8.988 11.747 -4.322 1.00 0.00 N ATOM 1465 CA THR A 97 8.087 12.921 -4.522 1.00 0.00 C ATOM 1466 C THR A 97 8.643 13.829 -5.624 1.00 0.00 C ATOM 1467 O THR A 97 9.841 13.979 -5.770 1.00 0.00 O ATOM 1468 CB THR A 97 8.073 13.650 -3.174 1.00 0.00 C ATOM 1469 OG1 THR A 97 7.272 14.819 -3.281 1.00 0.00 O ATOM 1470 CG2 THR A 97 9.499 14.043 -2.780 1.00 0.00 C ATOM 0 H THR A 97 9.920 11.971 -3.975 1.00 0.00 H new ATOM 0 HA THR A 97 7.084 12.625 -4.830 1.00 0.00 H new ATOM 0 HB THR A 97 7.661 12.990 -2.411 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.259 15.287 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.482 14.561 -1.821 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.114 13.147 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.918 14.702 -3.541 1.00 0.00 H new ATOM 1478 N VAL A 98 7.783 14.429 -6.404 1.00 0.00 N ATOM 1479 CA VAL A 98 8.266 15.322 -7.500 1.00 0.00 C ATOM 1480 C VAL A 98 7.284 16.478 -7.716 1.00 0.00 C ATOM 1481 O VAL A 98 6.112 16.373 -7.413 1.00 0.00 O ATOM 1482 CB VAL A 98 8.320 14.430 -8.742 1.00 0.00 C ATOM 1483 CG1 VAL A 98 8.897 15.226 -9.914 1.00 0.00 C ATOM 1484 CG2 VAL A 98 9.212 13.217 -8.465 1.00 0.00 C ATOM 0 H VAL A 98 6.770 14.340 -6.331 1.00 0.00 H new ATOM 0 HA VAL A 98 9.235 15.766 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 98 7.314 14.091 -8.989 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.936 14.592 -10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.263 16.090 -10.114 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.903 15.564 -9.664 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.249 12.583 -9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.219 13.554 -8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.804 12.649 -7.629 1.00 0.00 H new ATOM 1494 N HIS A 99 7.754 17.581 -8.238 1.00 0.00 N ATOM 1495 CA HIS A 99 6.845 18.743 -8.473 1.00 0.00 C ATOM 1496 C HIS A 99 6.241 18.673 -9.879 1.00 0.00 C ATOM 1497 O HIS A 99 6.885 18.253 -10.818 1.00 0.00 O ATOM 1498 CB HIS A 99 7.733 19.979 -8.330 1.00 0.00 C ATOM 1499 CG HIS A 99 6.881 21.217 -8.374 1.00 0.00 C ATOM 1500 ND1 HIS A 99 5.635 21.277 -7.771 1.00 0.00 N ATOM 1501 CD2 HIS A 99 7.081 22.448 -8.947 1.00 0.00 C ATOM 1502 CE1 HIS A 99 5.137 22.509 -7.991 1.00 0.00 C ATOM 1503 NE2 HIS A 99 5.979 23.262 -8.703 1.00 0.00 N ATOM 0 H HIS A 99 8.726 17.728 -8.511 1.00 0.00 H new ATOM 0 HA HIS A 99 6.010 18.759 -7.773 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.284 19.937 -7.390 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.471 20.004 -9.132 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.960 22.740 -9.503 1.00 0.00 H new ATOM 0 HE1 HIS A 99 4.175 22.846 -7.635 1.00 0.00 H new ATOM 0 HE2 HIS A 99 5.843 24.227 -9.004 1.00 0.00 H new ATOM 1511 N LEU A 100 5.010 19.085 -10.031 1.00 0.00 N ATOM 1512 CA LEU A 100 4.371 19.047 -11.380 1.00 0.00 C ATOM 1513 C LEU A 100 4.375 20.445 -12.002 1.00 0.00 C ATOM 1514 O LEU A 100 3.842 21.384 -11.443 1.00 0.00 O ATOM 1515 CB LEU A 100 2.938 18.576 -11.134 1.00 0.00 C ATOM 1516 CG LEU A 100 2.221 18.385 -12.476 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.907 16.901 -12.684 1.00 0.00 C ATOM 1518 CD2 LEU A 100 0.916 19.184 -12.478 1.00 0.00 C ATOM 0 H LEU A 100 4.420 19.446 -9.281 1.00 0.00 H new ATOM 0 HA LEU A 100 4.901 18.388 -12.068 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.943 17.639 -10.577 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.404 19.306 -10.526 1.00 0.00 H new ATOM 0 HG LEU A 100 2.865 18.737 -13.282 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.397 16.767 -13.638 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.835 16.329 -12.685 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.265 16.548 -11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.407 19.048 -13.432 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.273 18.833 -11.671 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.137 20.241 -12.332 1.00 0.00 H new ATOM 1530 N VAL A 101 4.971 20.591 -13.155 1.00 0.00 N ATOM 1531 CA VAL A 101 5.010 21.930 -13.813 1.00 0.00 C ATOM 1532 C VAL A 101 4.771 21.786 -15.318 1.00 0.00 C ATOM 1533 O VAL A 101 5.101 20.779 -15.914 1.00 0.00 O ATOM 1534 CB VAL A 101 6.417 22.466 -13.540 1.00 0.00 C ATOM 1535 CG1 VAL A 101 6.569 23.854 -14.167 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.642 22.566 -12.029 1.00 0.00 C ATOM 0 H VAL A 101 5.433 19.841 -13.670 1.00 0.00 H new ATOM 0 HA VAL A 101 4.239 22.600 -13.432 1.00 0.00 H new ATOM 0 HB VAL A 101 7.151 21.788 -13.975 1.00 0.00 H new ATOM 0 HG11 VAL A 101 7.572 24.234 -13.971 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.410 23.786 -15.243 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.833 24.532 -13.734 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.644 22.948 -11.835 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.906 23.243 -11.595 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.536 21.579 -11.579 1.00 0.00 H new ATOM 1546 N ILE A 102 4.205 22.787 -15.937 1.00 0.00 N ATOM 1547 CA ILE A 102 3.951 22.711 -17.407 1.00 0.00 C ATOM 1548 C ILE A 102 4.919 23.630 -18.159 1.00 0.00 C ATOM 1549 O ILE A 102 4.990 24.816 -17.903 1.00 0.00 O ATOM 1550 CB ILE A 102 2.499 23.162 -17.618 1.00 0.00 C ATOM 1551 CG1 ILE A 102 2.231 24.479 -16.858 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.547 22.062 -17.134 1.00 0.00 C ATOM 1553 CD1 ILE A 102 1.612 24.197 -15.484 1.00 0.00 C ATOM 0 H ILE A 102 3.907 23.654 -15.490 1.00 0.00 H new ATOM 0 HA ILE A 102 4.105 21.701 -17.787 1.00 0.00 H new ATOM 0 HB ILE A 102 2.329 23.340 -18.680 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.163 25.030 -16.736 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.561 25.111 -17.441 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.516 22.382 -17.284 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.729 21.148 -17.700 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.718 21.873 -16.074 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.432 25.139 -14.966 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.668 23.667 -15.612 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.295 23.585 -14.896 1.00 0.00 H new