USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 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 Single : A 26 ASN :FLIP amide:sc= -0.0576 F(o=-1.8,f=-0.058) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 151:sc= -2.87 (180deg=-5.4!) USER MOD Single : A 37 CYS SG : rot 140:sc= -0.0635 USER MOD Single : A 41 MET CE :methyl -133:sc= -1.08 (180deg=-1.9) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.69 K(o=-1.7,f=-5.9!) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= -0.151 (180deg=-0.628) USER MOD Single : A 48 ASN : amide:sc= -1.18 K(o=-1.2,f=-8.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -168:sc= 0.013 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0878 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -88:sc= -0.223 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= 1.55 (180deg=1.17) USER MOD Single : A 81 SER OG : rot 180:sc= -0.293 USER MOD Single : A 86 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.044) USER MOD Single : A 89 LYS NZ :NH3+ 160:sc= -0.14 (180deg=-0.633) USER MOD Single : A 90 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-0.68) USER MOD Single : A 106 CYS SG : rot 180:sc= -0.0161 USER MOD Single : A 107 SER OG : rot -110:sc= -0.433 USER MOD Single : A 115 LYS NZ :NH3+ -171:sc= -0.53 (180deg=-0.714) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 70:sc= 1.31 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 25.995 20.785 -5.593 1.00 0.00 N ATOM 385 CA ASN A 26 25.193 21.772 -4.878 1.00 0.00 C ATOM 386 C ASN A 26 23.736 21.716 -5.326 1.00 0.00 C ATOM 387 O ASN A 26 23.010 22.707 -5.241 1.00 0.00 O ATOM 388 CB ASN A 26 25.754 23.177 -5.106 1.00 0.00 C ATOM 389 CG ASN A 26 26.110 23.429 -6.559 1.00 0.00 C ATOM 390 OD1 ASN A 26 25.095 23.495 -7.413 1.00 0.00 O flip ATOM 391 ND2 ASN A 26 27.283 23.564 -6.908 1.00 0.00 N flip ATOM 0 HA ASN A 26 25.237 21.538 -3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 26 25.021 23.915 -4.781 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.641 23.316 -4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 26 28.031 23.506 -6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 26 27.507 23.734 -7.888 1.00 0.00 H new ATOM 398 N VAL A 27 23.313 20.548 -5.801 1.00 0.00 N ATOM 399 CA VAL A 27 21.942 20.361 -6.260 1.00 0.00 C ATOM 400 C VAL A 27 21.103 19.646 -5.207 1.00 0.00 C ATOM 401 O VAL A 27 21.503 18.611 -4.677 1.00 0.00 O ATOM 402 CB VAL A 27 21.894 19.556 -7.572 1.00 0.00 C ATOM 403 CG1 VAL A 27 20.454 19.292 -7.985 1.00 0.00 C ATOM 404 CG2 VAL A 27 22.648 20.287 -8.673 1.00 0.00 C ATOM 0 H VAL A 27 23.900 19.718 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 27 21.529 21.354 -6.437 1.00 0.00 H new ATOM 0 HB VAL A 27 22.381 18.595 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.441 18.722 -8.914 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.950 18.724 -7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 27 19.938 20.241 -8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.604 19.704 -9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 27 22.192 21.263 -8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.689 20.418 -8.376 1.00 0.00 H new ATOM 414 N GLY A 28 19.934 20.206 -4.909 1.00 0.00 N ATOM 415 CA GLY A 28 19.056 19.609 -3.920 1.00 0.00 C ATOM 416 C GLY A 28 17.956 18.777 -4.549 1.00 0.00 C ATOM 417 O GLY A 28 17.209 19.263 -5.398 1.00 0.00 O ATOM 0 H GLY A 28 19.580 21.062 -5.335 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.643 18.982 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.610 20.396 -3.312 1.00 0.00 H new ATOM 421 N SER A 29 17.857 17.518 -4.134 1.00 0.00 N ATOM 422 CA SER A 29 16.844 16.615 -4.666 1.00 0.00 C ATOM 423 C SER A 29 15.881 16.171 -3.569 1.00 0.00 C ATOM 424 O SER A 29 16.298 15.825 -2.465 1.00 0.00 O ATOM 425 CB SER A 29 17.505 15.392 -5.306 1.00 0.00 C ATOM 426 OG SER A 29 18.595 15.774 -6.128 1.00 0.00 O ATOM 0 H SER A 29 18.466 17.100 -3.431 1.00 0.00 H new ATOM 0 HA SER A 29 16.278 17.153 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.853 14.713 -4.527 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.771 14.847 -5.900 1.00 0.00 H new ATOM 0 HG SER A 29 19.002 14.975 -6.524 1.00 0.00 H new ATOM 432 N GLY A 30 14.589 16.183 -3.883 1.00 0.00 N ATOM 433 CA GLY A 30 13.586 15.780 -2.915 1.00 0.00 C ATOM 434 C GLY A 30 12.392 15.108 -3.563 1.00 0.00 C ATOM 435 O GLY A 30 11.841 15.614 -4.540 1.00 0.00 O ATOM 0 H GLY A 30 14.219 16.465 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.035 15.098 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.249 16.655 -2.360 1.00 0.00 H new ATOM 439 N MET A 31 11.991 13.964 -3.018 1.00 0.00 N ATOM 440 CA MET A 31 10.854 13.222 -3.550 1.00 0.00 C ATOM 441 C MET A 31 9.860 12.884 -2.443 1.00 0.00 C ATOM 442 O MET A 31 10.243 12.405 -1.376 1.00 0.00 O ATOM 443 CB MET A 31 11.330 11.939 -4.233 1.00 0.00 C ATOM 444 CG MET A 31 10.246 11.240 -5.037 1.00 0.00 C ATOM 445 SD MET A 31 9.888 9.581 -4.425 1.00 0.00 S ATOM 446 CE MET A 31 8.494 9.910 -3.350 1.00 0.00 C ATOM 0 H MET A 31 12.436 13.531 -2.209 1.00 0.00 H new ATOM 0 HA MET A 31 10.352 13.852 -4.285 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.164 12.177 -4.893 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.708 11.253 -3.475 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.335 11.838 -5.008 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.555 11.179 -6.081 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.852 9.030 -3.307 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.854 10.146 -2.349 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.926 10.755 -3.739 1.00 0.00 H new ATOM 456 N VAL A 32 8.581 13.137 -2.705 1.00 0.00 N ATOM 457 CA VAL A 32 7.532 12.859 -1.732 1.00 0.00 C ATOM 458 C VAL A 32 6.336 12.182 -2.391 1.00 0.00 C ATOM 459 O VAL A 32 6.034 12.431 -3.558 1.00 0.00 O ATOM 460 CB VAL A 32 7.058 14.147 -1.033 1.00 0.00 C ATOM 461 CG1 VAL A 32 8.228 14.853 -0.364 1.00 0.00 C ATOM 462 CG2 VAL A 32 6.367 15.068 -2.027 1.00 0.00 C ATOM 0 H VAL A 32 8.247 13.534 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 32 7.961 12.188 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 32 6.338 13.877 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.874 15.761 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.675 14.192 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.974 15.113 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.038 15.973 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.063 15.333 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.503 14.559 -2.455 1.00 0.00 H new ATOM 472 N GLY A 33 5.656 11.324 -1.636 1.00 0.00 N ATOM 473 CA GLY A 33 4.500 10.625 -2.164 1.00 0.00 C ATOM 474 C GLY A 33 3.557 10.157 -1.073 1.00 0.00 C ATOM 475 O GLY A 33 3.670 10.579 0.077 1.00 0.00 O ATOM 0 H GLY A 33 5.886 11.101 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.962 11.283 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.833 9.765 -2.745 1.00 0.00 H new ATOM 479 N ALA A 34 2.622 9.285 -1.435 1.00 0.00 N ATOM 480 CA ALA A 34 1.656 8.759 -0.478 1.00 0.00 C ATOM 481 C ALA A 34 1.030 7.465 -0.985 1.00 0.00 C ATOM 482 O ALA A 34 0.853 7.261 -2.186 1.00 0.00 O ATOM 483 CB ALA A 34 0.577 9.794 -0.195 1.00 0.00 C ATOM 0 H ALA A 34 2.513 8.928 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 34 2.184 8.537 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.138 9.388 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.034 10.693 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.060 10.044 -1.122 1.00 0.00 H new ATOM 489 N PRO A 35 0.686 6.567 -0.050 1.00 0.00 N ATOM 490 CA PRO A 35 0.074 5.276 -0.379 1.00 0.00 C ATOM 491 C PRO A 35 -1.352 5.426 -0.899 1.00 0.00 C ATOM 492 O PRO A 35 -1.708 4.860 -1.932 1.00 0.00 O ATOM 493 CB PRO A 35 0.079 4.530 0.958 1.00 0.00 C ATOM 494 CG PRO A 35 0.083 5.604 1.991 1.00 0.00 C ATOM 495 CD PRO A 35 0.867 6.744 1.401 1.00 0.00 C ATOM 0 HA PRO A 35 0.614 4.760 -1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.797 3.889 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.956 3.889 1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.933 5.914 2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.540 5.254 2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.489 7.709 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.919 6.697 1.684 1.00 0.00 H new ATOM 503 N ALA A 36 -2.163 6.193 -0.177 1.00 0.00 N ATOM 504 CA ALA A 36 -3.549 6.419 -0.568 1.00 0.00 C ATOM 505 C ALA A 36 -3.642 7.451 -1.687 1.00 0.00 C ATOM 506 O ALA A 36 -4.613 7.473 -2.444 1.00 0.00 O ATOM 507 CB ALA A 36 -4.370 6.864 0.633 1.00 0.00 C ATOM 0 H ALA A 36 -1.884 6.668 0.681 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.953 5.479 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.403 7.029 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.339 6.092 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.958 7.790 1.033 1.00 0.00 H new ATOM 513 N CYS A 37 -2.628 8.303 -1.785 1.00 0.00 N ATOM 514 CA CYS A 37 -2.597 9.339 -2.811 1.00 0.00 C ATOM 515 C CYS A 37 -2.210 8.752 -4.165 1.00 0.00 C ATOM 516 O CYS A 37 -2.607 9.264 -5.211 1.00 0.00 O ATOM 517 CB CYS A 37 -1.614 10.444 -2.421 1.00 0.00 C ATOM 518 SG CYS A 37 -1.846 11.992 -3.325 1.00 0.00 S ATOM 0 H CYS A 37 -1.817 8.297 -1.167 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.597 9.765 -2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.711 10.641 -1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.598 10.087 -2.588 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.689 12.996 -2.514 1.00 0.00 H new ATOM 524 N GLY A 38 -1.430 7.676 -4.136 1.00 0.00 N ATOM 525 CA GLY A 38 -1.001 7.038 -5.367 1.00 0.00 C ATOM 526 C GLY A 38 -0.389 8.021 -6.346 1.00 0.00 C ATOM 527 O GLY A 38 -0.865 8.163 -7.473 1.00 0.00 O ATOM 0 H GLY A 38 -1.088 7.235 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.274 6.260 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.854 6.547 -5.835 1.00 0.00 H new ATOM 531 N ALA A 39 0.667 8.703 -5.916 1.00 0.00 N ATOM 532 CA ALA A 39 1.344 9.677 -6.763 1.00 0.00 C ATOM 533 C ALA A 39 2.736 9.997 -6.228 1.00 0.00 C ATOM 534 O ALA A 39 3.096 9.587 -5.124 1.00 0.00 O ATOM 535 CB ALA A 39 0.514 10.947 -6.874 1.00 0.00 C ATOM 0 H ALA A 39 1.072 8.599 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 39 1.457 9.242 -7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.032 11.666 -7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.457 10.710 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.371 11.376 -5.882 1.00 0.00 H new ATOM 541 N VAL A 40 3.515 10.730 -7.017 1.00 0.00 N ATOM 542 CA VAL A 40 4.867 11.105 -6.621 1.00 0.00 C ATOM 543 C VAL A 40 5.201 12.520 -7.081 1.00 0.00 C ATOM 544 O VAL A 40 5.000 12.869 -8.244 1.00 0.00 O ATOM 545 CB VAL A 40 5.911 10.130 -7.197 1.00 0.00 C ATOM 546 CG1 VAL A 40 7.283 10.403 -6.601 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.489 8.690 -6.947 1.00 0.00 C ATOM 0 H VAL A 40 3.233 11.076 -7.934 1.00 0.00 H new ATOM 0 HA VAL A 40 4.902 11.062 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 40 5.972 10.285 -8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.007 9.704 -7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.585 11.424 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.241 10.277 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.238 8.014 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.398 8.518 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.528 8.504 -7.427 1.00 0.00 H new ATOM 557 N MET A 41 5.714 13.329 -6.160 1.00 0.00 N ATOM 558 CA MET A 41 6.078 14.707 -6.472 1.00 0.00 C ATOM 559 C MET A 41 7.546 14.967 -6.148 1.00 0.00 C ATOM 560 O MET A 41 7.927 15.065 -4.981 1.00 0.00 O ATOM 561 CB MET A 41 5.191 15.680 -5.693 1.00 0.00 C ATOM 562 CG MET A 41 3.704 15.458 -5.915 1.00 0.00 C ATOM 563 SD MET A 41 2.970 16.701 -6.996 1.00 0.00 S ATOM 564 CE MET A 41 3.293 18.195 -6.061 1.00 0.00 C ATOM 0 H MET A 41 5.887 13.055 -5.193 1.00 0.00 H new ATOM 0 HA MET A 41 5.926 14.865 -7.540 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.409 15.586 -4.629 1.00 0.00 H new ATOM 0 HB3 MET A 41 5.445 16.700 -5.981 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.549 14.469 -6.347 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.191 15.470 -4.953 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.386 18.798 -6.014 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.606 17.931 -5.051 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.084 18.766 -6.549 1.00 0.00 H new ATOM 574 N LYS A 42 8.366 15.078 -7.188 1.00 0.00 N ATOM 575 CA LYS A 42 9.792 15.328 -7.015 1.00 0.00 C ATOM 576 C LYS A 42 10.201 16.634 -7.689 1.00 0.00 C ATOM 577 O LYS A 42 9.704 16.971 -8.765 1.00 0.00 O ATOM 578 CB LYS A 42 10.608 14.168 -7.588 1.00 0.00 C ATOM 579 CG LYS A 42 10.265 13.838 -9.031 1.00 0.00 C ATOM 580 CD LYS A 42 10.762 12.456 -9.420 1.00 0.00 C ATOM 581 CE LYS A 42 12.267 12.446 -9.639 1.00 0.00 C ATOM 582 NZ LYS A 42 12.626 11.973 -11.005 1.00 0.00 N ATOM 0 H LYS A 42 8.067 14.999 -8.160 1.00 0.00 H new ATOM 0 HA LYS A 42 9.994 15.412 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.668 14.413 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.447 13.283 -6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.185 13.890 -9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.708 14.584 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.502 11.742 -8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.259 12.130 -10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.663 13.450 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.738 11.802 -8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.660 11.981 -11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.271 11.005 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.198 12.602 -11.714 1.00 0.00 H new ATOM 596 N LEU A 43 11.111 17.364 -7.053 1.00 0.00 N ATOM 597 CA LEU A 43 11.588 18.632 -7.593 1.00 0.00 C ATOM 598 C LEU A 43 13.103 18.746 -7.455 1.00 0.00 C ATOM 599 O LEU A 43 13.691 18.224 -6.509 1.00 0.00 O ATOM 600 CB LEU A 43 10.910 19.801 -6.877 1.00 0.00 C ATOM 601 CG LEU A 43 9.935 20.627 -7.716 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.648 19.853 -7.956 1.00 0.00 C ATOM 603 CD2 LEU A 43 9.640 21.957 -7.037 1.00 0.00 C ATOM 0 H LEU A 43 11.533 17.099 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 43 11.334 18.667 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.373 19.410 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.685 20.467 -6.496 1.00 0.00 H new ATOM 0 HG LEU A 43 10.399 20.829 -8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.966 20.457 -8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.873 18.927 -8.486 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.180 19.619 -7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.944 22.531 -7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.197 21.775 -6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.567 22.518 -6.918 1.00 0.00 H new ATOM 615 N GLN A 44 13.728 19.435 -8.405 1.00 0.00 N ATOM 616 CA GLN A 44 15.174 19.619 -8.389 1.00 0.00 C ATOM 617 C GLN A 44 15.534 21.096 -8.272 1.00 0.00 C ATOM 618 O GLN A 44 15.045 21.926 -9.039 1.00 0.00 O ATOM 619 CB GLN A 44 15.799 19.028 -9.654 1.00 0.00 C ATOM 620 CG GLN A 44 15.378 17.593 -9.928 1.00 0.00 C ATOM 621 CD GLN A 44 14.029 17.502 -10.613 1.00 0.00 C ATOM 622 OE1 GLN A 44 13.492 18.503 -11.088 1.00 0.00 O ATOM 623 NE2 GLN A 44 13.473 16.297 -10.668 1.00 0.00 N ATOM 0 H GLN A 44 13.255 19.875 -9.195 1.00 0.00 H new ATOM 0 HA GLN A 44 15.571 19.097 -7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.525 19.647 -10.508 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.885 19.069 -9.566 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.131 17.110 -10.551 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.342 17.043 -8.988 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.954 15.495 -10.261 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.565 16.174 -11.117 1.00 0.00 H new ATOM 632 N ILE A 45 16.390 21.417 -7.307 1.00 0.00 N ATOM 633 CA ILE A 45 16.814 22.794 -7.091 1.00 0.00 C ATOM 634 C ILE A 45 18.318 22.944 -7.294 1.00 0.00 C ATOM 635 O ILE A 45 19.057 21.959 -7.295 1.00 0.00 O ATOM 636 CB ILE A 45 16.447 23.281 -5.677 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.083 22.375 -4.621 1.00 0.00 C ATOM 638 CG2 ILE A 45 14.936 23.323 -5.506 1.00 0.00 C ATOM 639 CD1 ILE A 45 18.158 23.058 -3.805 1.00 0.00 C ATOM 0 H ILE A 45 16.803 20.742 -6.663 1.00 0.00 H new ATOM 0 HA ILE A 45 16.288 23.405 -7.824 1.00 0.00 H new ATOM 0 HB ILE A 45 16.836 24.291 -5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.305 22.012 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 45 17.512 21.502 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.693 23.669 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.506 24.005 -6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.525 22.324 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 45 18.564 22.356 -3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 45 18.956 23.397 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 45 17.730 23.914 -3.284 1.00 0.00 H new ATOM 651 N LYS A 46 18.767 24.184 -7.462 1.00 0.00 N ATOM 652 CA LYS A 46 20.183 24.465 -7.663 1.00 0.00 C ATOM 653 C LYS A 46 20.643 25.609 -6.765 1.00 0.00 C ATOM 654 O LYS A 46 20.276 26.765 -6.979 1.00 0.00 O ATOM 655 CB LYS A 46 20.453 24.812 -9.129 1.00 0.00 C ATOM 656 CG LYS A 46 21.820 24.367 -9.617 1.00 0.00 C ATOM 657 CD LYS A 46 22.921 25.278 -9.101 1.00 0.00 C ATOM 658 CE LYS A 46 24.147 25.236 -10.000 1.00 0.00 C ATOM 659 NZ LYS A 46 23.852 25.750 -11.366 1.00 0.00 N ATOM 0 H LYS A 46 18.169 25.011 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 46 20.746 23.570 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 46 19.686 24.349 -9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.363 25.890 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.009 23.345 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.834 24.360 -10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.549 26.301 -9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.199 24.978 -8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.945 25.829 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.512 24.211 -10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 24.725 26.118 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.477 24.978 -11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 23.148 26.513 -11.305 1.00 0.00 H new ATOM 673 N VAL A 47 21.449 25.281 -5.761 1.00 0.00 N ATOM 674 CA VAL A 47 21.961 26.282 -4.833 1.00 0.00 C ATOM 675 C VAL A 47 23.380 26.699 -5.202 1.00 0.00 C ATOM 676 O VAL A 47 24.174 25.886 -5.672 1.00 0.00 O ATOM 677 CB VAL A 47 21.953 25.760 -3.383 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.299 26.877 -2.411 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.601 25.148 -3.046 1.00 0.00 C ATOM 0 H VAL A 47 21.762 24.329 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 47 21.301 27.146 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 47 22.712 24.983 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 47 22.288 26.489 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.291 27.265 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.566 27.678 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.612 24.784 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.822 25.903 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.399 24.318 -3.723 1.00 0.00 H new ATOM 689 N ASN A 48 23.691 27.973 -4.986 1.00 0.00 N ATOM 690 CA ASN A 48 25.015 28.500 -5.297 1.00 0.00 C ATOM 691 C ASN A 48 25.861 28.625 -4.033 1.00 0.00 C ATOM 692 O ASN A 48 25.482 28.137 -2.969 1.00 0.00 O ATOM 693 CB ASN A 48 24.897 29.863 -5.982 1.00 0.00 C ATOM 694 CG ASN A 48 24.764 31.000 -4.988 1.00 0.00 C ATOM 695 OD1 ASN A 48 25.701 31.772 -4.782 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.595 31.108 -4.366 1.00 0.00 N ATOM 0 H ASN A 48 23.045 28.659 -4.597 1.00 0.00 H new ATOM 0 HA ASN A 48 25.506 27.802 -5.975 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.775 30.030 -6.606 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.031 29.860 -6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 48 23.446 31.854 -3.686 1.00 0.00 H new ATOM 0 HD22 ASN A 48 22.846 30.445 -4.568 1.00 0.00 H new ATOM 703 N ASP A 49 27.008 29.283 -4.159 1.00 0.00 N ATOM 704 CA ASP A 49 27.908 29.475 -3.027 1.00 0.00 C ATOM 705 C ASP A 49 27.203 30.211 -1.892 1.00 0.00 C ATOM 706 O ASP A 49 27.236 29.775 -0.742 1.00 0.00 O ATOM 707 CB ASP A 49 29.151 30.252 -3.462 1.00 0.00 C ATOM 708 CG ASP A 49 30.428 29.459 -3.268 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.408 28.234 -3.512 1.00 0.00 O ATOM 710 OD2 ASP A 49 31.446 30.062 -2.872 1.00 0.00 O ATOM 0 H ASP A 49 27.337 29.693 -5.033 1.00 0.00 H new ATOM 0 HA ASP A 49 28.212 28.493 -2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.054 30.528 -4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.213 31.180 -2.893 1.00 0.00 H new ATOM 715 N GLU A 50 26.568 31.331 -2.224 1.00 0.00 N ATOM 716 CA GLU A 50 25.858 32.129 -1.231 1.00 0.00 C ATOM 717 C GLU A 50 24.898 31.261 -0.422 1.00 0.00 C ATOM 718 O GLU A 50 24.912 31.281 0.808 1.00 0.00 O ATOM 719 CB GLU A 50 25.088 33.263 -1.911 1.00 0.00 C ATOM 720 CG GLU A 50 25.372 34.632 -1.317 1.00 0.00 C ATOM 721 CD GLU A 50 26.854 34.950 -1.263 1.00 0.00 C ATOM 722 OE1 GLU A 50 27.465 35.115 -2.339 1.00 0.00 O ATOM 723 OE2 GLU A 50 27.402 35.032 -0.144 1.00 0.00 O ATOM 0 H GLU A 50 26.531 31.706 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 50 26.595 32.557 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.340 33.277 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.020 33.060 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 50 24.863 35.393 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 50 24.957 34.680 -0.310 1.00 0.00 H new ATOM 730 N GLY A 51 24.063 30.500 -1.124 1.00 0.00 N ATOM 731 CA GLY A 51 23.107 29.637 -0.455 1.00 0.00 C ATOM 732 C GLY A 51 21.677 29.932 -0.861 1.00 0.00 C ATOM 733 O GLY A 51 20.742 29.667 -0.104 1.00 0.00 O ATOM 0 H GLY A 51 24.032 30.466 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.339 28.597 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.207 29.756 0.624 1.00 0.00 H new ATOM 737 N ILE A 52 21.505 30.483 -2.058 1.00 0.00 N ATOM 738 CA ILE A 52 20.178 30.815 -2.562 1.00 0.00 C ATOM 739 C ILE A 52 19.880 30.070 -3.859 1.00 0.00 C ATOM 740 O ILE A 52 20.748 29.937 -4.723 1.00 0.00 O ATOM 741 CB ILE A 52 20.031 32.328 -2.807 1.00 0.00 C ATOM 742 CG1 ILE A 52 19.907 33.073 -1.476 1.00 0.00 C ATOM 743 CG2 ILE A 52 18.824 32.607 -3.691 1.00 0.00 C ATOM 744 CD1 ILE A 52 21.215 33.192 -0.726 1.00 0.00 C ATOM 0 H ILE A 52 22.268 30.709 -2.697 1.00 0.00 H new ATOM 0 HA ILE A 52 19.464 30.508 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 52 20.923 32.686 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 52 19.513 34.072 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 52 19.182 32.557 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 52 18.734 33.681 -3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 52 18.950 32.103 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 52 17.922 32.237 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.052 33.731 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 52 21.601 32.196 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 52 21.937 33.735 -1.337 1.00 0.00 H new ATOM 756 N ILE A 53 18.649 29.588 -3.989 1.00 0.00 N ATOM 757 CA ILE A 53 18.236 28.860 -5.182 1.00 0.00 C ATOM 758 C ILE A 53 18.351 29.733 -6.427 1.00 0.00 C ATOM 759 O ILE A 53 17.729 30.792 -6.512 1.00 0.00 O ATOM 760 CB ILE A 53 16.789 28.350 -5.057 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.646 27.448 -3.829 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.379 27.604 -6.319 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.470 26.182 -3.910 1.00 0.00 C ATOM 0 H ILE A 53 17.920 29.689 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 53 18.906 28.006 -5.278 1.00 0.00 H new ATOM 0 HB ILE A 53 16.127 29.207 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.941 28.007 -2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.596 27.181 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.353 27.250 -6.215 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.446 28.274 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.043 26.753 -6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.320 25.592 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.160 25.601 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.525 26.440 -4.004 1.00 0.00 H new ATOM 775 N GLU A 54 19.148 29.281 -7.389 1.00 0.00 N ATOM 776 CA GLU A 54 19.342 30.021 -8.630 1.00 0.00 C ATOM 777 C GLU A 54 18.671 29.308 -9.800 1.00 0.00 C ATOM 778 O GLU A 54 18.320 29.932 -10.802 1.00 0.00 O ATOM 779 CB GLU A 54 20.835 30.199 -8.915 1.00 0.00 C ATOM 780 CG GLU A 54 21.128 30.763 -10.296 1.00 0.00 C ATOM 781 CD GLU A 54 20.350 32.032 -10.585 1.00 0.00 C ATOM 782 OE1 GLU A 54 20.136 32.825 -9.644 1.00 0.00 O ATOM 783 OE2 GLU A 54 19.956 32.233 -11.753 1.00 0.00 O ATOM 0 H GLU A 54 19.670 28.406 -7.333 1.00 0.00 H new ATOM 0 HA GLU A 54 18.882 31.002 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.263 30.861 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.333 29.235 -8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.195 30.968 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.886 30.013 -11.049 1.00 0.00 H new ATOM 790 N ASP A 55 18.498 27.998 -9.666 1.00 0.00 N ATOM 791 CA ASP A 55 17.868 27.199 -10.711 1.00 0.00 C ATOM 792 C ASP A 55 16.844 26.237 -10.117 1.00 0.00 C ATOM 793 O ASP A 55 17.059 25.670 -9.046 1.00 0.00 O ATOM 794 CB ASP A 55 18.926 26.418 -11.492 1.00 0.00 C ATOM 795 CG ASP A 55 18.975 26.814 -12.955 1.00 0.00 C ATOM 796 OD1 ASP A 55 18.126 26.327 -13.730 1.00 0.00 O ATOM 797 OD2 ASP A 55 19.864 27.610 -13.325 1.00 0.00 O ATOM 0 H ASP A 55 18.785 27.466 -8.844 1.00 0.00 H new ATOM 0 HA ASP A 55 17.351 27.877 -11.391 1.00 0.00 H new ATOM 0 HB2 ASP A 55 19.904 26.585 -11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.717 25.351 -11.414 1.00 0.00 H new ATOM 802 N ALA A 56 15.729 26.060 -10.819 1.00 0.00 N ATOM 803 CA ALA A 56 14.672 25.167 -10.362 1.00 0.00 C ATOM 804 C ALA A 56 14.116 24.339 -11.515 1.00 0.00 C ATOM 805 O ALA A 56 13.542 24.881 -12.460 1.00 0.00 O ATOM 806 CB ALA A 56 13.560 25.963 -9.696 1.00 0.00 C ATOM 0 H ALA A 56 15.535 26.524 -11.707 1.00 0.00 H new ATOM 0 HA ALA A 56 15.100 24.481 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.777 25.283 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.963 26.505 -8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.142 26.672 -10.410 1.00 0.00 H new ATOM 812 N ARG A 57 14.289 23.024 -11.432 1.00 0.00 N ATOM 813 CA ARG A 57 13.806 22.122 -12.470 1.00 0.00 C ATOM 814 C ARG A 57 12.497 21.461 -12.049 1.00 0.00 C ATOM 815 O ARG A 57 12.216 21.318 -10.859 1.00 0.00 O ATOM 816 CB ARG A 57 14.856 21.052 -12.776 1.00 0.00 C ATOM 817 CG ARG A 57 15.145 20.889 -14.259 1.00 0.00 C ATOM 818 CD ARG A 57 16.604 20.538 -14.507 1.00 0.00 C ATOM 819 NE ARG A 57 17.434 21.728 -14.663 1.00 0.00 N ATOM 820 CZ ARG A 57 18.762 21.707 -14.641 1.00 0.00 C ATOM 821 NH1 ARG A 57 19.407 20.561 -14.468 1.00 0.00 N ATOM 822 NH2 ARG A 57 19.448 22.832 -14.790 1.00 0.00 N ATOM 0 H ARG A 57 14.760 22.559 -10.656 1.00 0.00 H new ATOM 0 HA ARG A 57 13.624 22.709 -13.370 1.00 0.00 H new ATOM 0 HB2 ARG A 57 15.782 21.306 -12.260 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.518 20.097 -12.373 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.507 20.108 -14.672 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.898 21.812 -14.783 1.00 0.00 H new ATOM 0 HD2 ARG A 57 16.979 19.941 -13.676 1.00 0.00 H new ATOM 0 HD3 ARG A 57 16.681 19.922 -15.403 1.00 0.00 H new ATOM 0 HE ARG A 57 16.969 22.626 -14.796 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.883 19.694 -14.352 1.00 0.00 H new ATOM 0 HH12 ARG A 57 20.427 20.547 -14.451 1.00 0.00 H new ATOM 0 HH21 ARG A 57 18.956 23.716 -14.922 1.00 0.00 H new ATOM 0 HH22 ARG A 57 20.468 22.814 -14.773 1.00 0.00 H new ATOM 836 N PHE A 58 11.700 21.059 -13.034 1.00 0.00 N ATOM 837 CA PHE A 58 10.420 20.414 -12.766 1.00 0.00 C ATOM 838 C PHE A 58 10.335 19.061 -13.467 1.00 0.00 C ATOM 839 O PHE A 58 10.729 18.923 -14.625 1.00 0.00 O ATOM 840 CB PHE A 58 9.267 21.310 -13.223 1.00 0.00 C ATOM 841 CG PHE A 58 9.350 21.703 -14.670 1.00 0.00 C ATOM 842 CD1 PHE A 58 8.835 20.877 -15.656 1.00 0.00 C ATOM 843 CD2 PHE A 58 9.943 22.898 -15.044 1.00 0.00 C ATOM 844 CE1 PHE A 58 8.912 21.236 -16.989 1.00 0.00 C ATOM 845 CE2 PHE A 58 10.022 23.262 -16.375 1.00 0.00 C ATOM 846 CZ PHE A 58 9.505 22.431 -17.348 1.00 0.00 C ATOM 0 H PHE A 58 11.918 21.169 -14.024 1.00 0.00 H new ATOM 0 HA PHE A 58 10.342 20.253 -11.691 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.324 20.792 -13.049 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.253 22.211 -12.610 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.368 19.943 -15.380 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.348 23.553 -14.287 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.509 20.583 -17.749 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.488 24.196 -16.653 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.564 22.714 -18.388 1.00 0.00 H new ATOM 856 N LYS A 59 9.820 18.064 -12.755 1.00 0.00 N ATOM 857 CA LYS A 59 9.682 16.721 -13.307 1.00 0.00 C ATOM 858 C LYS A 59 8.870 15.830 -12.373 1.00 0.00 C ATOM 859 O LYS A 59 9.364 15.384 -11.337 1.00 0.00 O ATOM 860 CB LYS A 59 11.061 16.103 -13.548 1.00 0.00 C ATOM 861 CG LYS A 59 11.273 15.627 -14.975 1.00 0.00 C ATOM 862 CD LYS A 59 11.377 14.113 -15.049 1.00 0.00 C ATOM 863 CE LYS A 59 12.378 13.674 -16.106 1.00 0.00 C ATOM 864 NZ LYS A 59 11.723 13.424 -17.420 1.00 0.00 N ATOM 0 H LYS A 59 9.491 18.161 -11.794 1.00 0.00 H new ATOM 0 HA LYS A 59 9.154 16.798 -14.257 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.827 16.838 -13.301 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.196 15.261 -12.869 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.446 15.967 -15.599 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.181 16.075 -15.378 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.676 13.720 -14.077 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.398 13.691 -15.276 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.144 14.441 -16.222 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.883 12.767 -15.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.439 13.127 -18.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.010 12.674 -17.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.262 14.296 -17.750 1.00 0.00 H new ATOM 978 N ALA A 68 0.177 21.758 -12.064 1.00 0.00 N ATOM 979 CA ALA A 68 0.198 23.135 -11.584 1.00 0.00 C ATOM 980 C ALA A 68 0.878 23.231 -10.223 1.00 0.00 C ATOM 981 O ALA A 68 1.720 24.100 -10.000 1.00 0.00 O ATOM 982 CB ALA A 68 -1.217 23.689 -11.510 1.00 0.00 C ATOM 0 HA ALA A 68 0.774 23.732 -12.291 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.187 24.717 -11.150 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.670 23.664 -12.501 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.810 23.082 -10.825 1.00 0.00 H new ATOM 988 N SER A 69 0.506 22.334 -9.316 1.00 0.00 N ATOM 989 CA SER A 69 1.077 22.321 -7.974 1.00 0.00 C ATOM 990 C SER A 69 2.600 22.257 -8.032 1.00 0.00 C ATOM 991 O SER A 69 3.288 22.761 -7.145 1.00 0.00 O ATOM 992 CB SER A 69 0.535 21.133 -7.177 1.00 0.00 C ATOM 993 OG SER A 69 0.243 21.505 -5.841 1.00 0.00 O ATOM 0 H SER A 69 -0.188 21.606 -9.486 1.00 0.00 H new ATOM 0 HA SER A 69 0.788 23.246 -7.475 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.366 20.750 -7.656 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.266 20.325 -7.181 1.00 0.00 H new ATOM 0 HG SER A 69 0.080 20.701 -5.306 1.00 0.00 H new ATOM 999 N SER A 70 3.119 21.632 -9.085 1.00 0.00 N ATOM 1000 CA SER A 70 4.561 21.497 -9.259 1.00 0.00 C ATOM 1001 C SER A 70 5.143 22.731 -9.941 1.00 0.00 C ATOM 1002 O SER A 70 6.171 23.261 -9.519 1.00 0.00 O ATOM 1003 CB SER A 70 4.882 20.247 -10.079 1.00 0.00 C ATOM 1004 OG SER A 70 5.887 19.470 -9.452 1.00 0.00 O ATOM 0 H SER A 70 2.563 21.212 -9.830 1.00 0.00 H new ATOM 0 HA SER A 70 5.014 21.401 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.980 19.648 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.212 20.537 -11.076 1.00 0.00 H new ATOM 0 HG SER A 70 6.073 18.676 -9.995 1.00 0.00 H new ATOM 1010 N SER A 71 4.479 23.183 -11.000 1.00 0.00 N ATOM 1011 CA SER A 71 4.932 24.352 -11.745 1.00 0.00 C ATOM 1012 C SER A 71 4.871 25.606 -10.878 1.00 0.00 C ATOM 1013 O SER A 71 5.566 26.589 -11.138 1.00 0.00 O ATOM 1014 CB SER A 71 4.079 24.544 -13.001 1.00 0.00 C ATOM 1015 OG SER A 71 4.709 25.425 -13.915 1.00 0.00 O ATOM 0 H SER A 71 3.625 22.757 -11.361 1.00 0.00 H new ATOM 0 HA SER A 71 5.968 24.186 -12.040 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.908 23.580 -13.479 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.102 24.940 -12.724 1.00 0.00 H new ATOM 0 HG SER A 71 4.145 25.530 -14.710 1.00 0.00 H new ATOM 1021 N LEU A 72 4.035 25.564 -9.847 1.00 0.00 N ATOM 1022 CA LEU A 72 3.881 26.696 -8.940 1.00 0.00 C ATOM 1023 C LEU A 72 5.003 26.721 -7.907 1.00 0.00 C ATOM 1024 O LEU A 72 5.628 27.757 -7.679 1.00 0.00 O ATOM 1025 CB LEU A 72 2.525 26.630 -8.236 1.00 0.00 C ATOM 1026 CG LEU A 72 2.054 27.922 -7.566 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.855 28.191 -6.302 1.00 0.00 C ATOM 1028 CD2 LEU A 72 2.165 29.094 -8.530 1.00 0.00 C ATOM 0 H LEU A 72 3.453 24.758 -9.618 1.00 0.00 H new ATOM 0 HA LEU A 72 3.933 27.612 -9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.774 26.327 -8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.568 25.847 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 72 1.007 27.804 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.506 29.114 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.724 27.363 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.911 28.289 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.826 30.005 -8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.203 29.214 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.546 28.904 -9.407 1.00 0.00 H new ATOM 1040 N VAL A 73 5.254 25.574 -7.285 1.00 0.00 N ATOM 1041 CA VAL A 73 6.303 25.463 -6.278 1.00 0.00 C ATOM 1042 C VAL A 73 7.679 25.703 -6.889 1.00 0.00 C ATOM 1043 O VAL A 73 8.607 26.140 -6.207 1.00 0.00 O ATOM 1044 CB VAL A 73 6.288 24.079 -5.602 1.00 0.00 C ATOM 1045 CG1 VAL A 73 5.040 23.916 -4.748 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.379 22.976 -6.645 1.00 0.00 C ATOM 0 H VAL A 73 4.745 24.708 -7.461 1.00 0.00 H new ATOM 0 HA VAL A 73 6.103 26.228 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 73 7.158 24.003 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.046 22.932 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.024 24.686 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.154 24.012 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.367 22.005 -6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.530 23.047 -7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.305 23.084 -7.209 1.00 0.00 H new ATOM 1056 N THR A 74 7.805 25.415 -8.181 1.00 0.00 N ATOM 1057 CA THR A 74 9.068 25.599 -8.885 1.00 0.00 C ATOM 1058 C THR A 74 9.390 27.078 -9.059 1.00 0.00 C ATOM 1059 O THR A 74 10.484 27.528 -8.720 1.00 0.00 O ATOM 1060 CB THR A 74 9.042 24.924 -10.270 1.00 0.00 C ATOM 1061 OG1 THR A 74 7.721 24.979 -10.817 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.497 23.475 -10.174 1.00 0.00 C ATOM 0 H THR A 74 7.048 25.053 -8.761 1.00 0.00 H new ATOM 0 HA THR A 74 9.841 25.131 -8.275 1.00 0.00 H new ATOM 0 HB THR A 74 9.728 25.461 -10.925 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.211 24.197 -10.520 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.470 23.019 -11.164 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.514 23.438 -9.785 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.832 22.929 -9.505 1.00 0.00 H new ATOM 1070 N GLU A 75 8.431 27.830 -9.590 1.00 0.00 N ATOM 1071 CA GLU A 75 8.614 29.260 -9.808 1.00 0.00 C ATOM 1072 C GLU A 75 8.825 29.990 -8.485 1.00 0.00 C ATOM 1073 O GLU A 75 9.343 31.106 -8.456 1.00 0.00 O ATOM 1074 CB GLU A 75 7.405 29.846 -10.540 1.00 0.00 C ATOM 1075 CG GLU A 75 6.078 29.531 -9.871 1.00 0.00 C ATOM 1076 CD GLU A 75 4.899 30.162 -10.587 1.00 0.00 C ATOM 1077 OE1 GLU A 75 4.476 29.618 -11.628 1.00 0.00 O ATOM 1078 OE2 GLU A 75 4.400 31.201 -10.106 1.00 0.00 O ATOM 0 H GLU A 75 7.520 27.473 -9.877 1.00 0.00 H new ATOM 0 HA GLU A 75 9.503 29.396 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.521 30.928 -10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.388 29.463 -11.560 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.941 28.450 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.103 29.883 -8.840 1.00 0.00 H new ATOM 1085 N TRP A 76 8.418 29.352 -7.393 1.00 0.00 N ATOM 1086 CA TRP A 76 8.561 29.941 -6.067 1.00 0.00 C ATOM 1087 C TRP A 76 9.987 29.779 -5.550 1.00 0.00 C ATOM 1088 O TRP A 76 10.604 30.739 -5.090 1.00 0.00 O ATOM 1089 CB TRP A 76 7.575 29.296 -5.091 1.00 0.00 C ATOM 1090 CG TRP A 76 6.509 30.237 -4.616 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.176 29.968 -4.491 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.687 31.596 -4.205 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.514 31.080 -4.027 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.419 32.091 -3.842 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.794 32.443 -4.105 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.230 33.395 -3.390 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.605 33.737 -3.656 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.331 34.202 -3.302 1.00 0.00 C ATOM 0 H TRP A 76 7.987 28.428 -7.400 1.00 0.00 H new ATOM 0 HA TRP A 76 8.341 31.006 -6.144 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.105 28.439 -5.574 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.124 28.915 -4.230 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.711 29.021 -4.722 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.511 31.142 -3.849 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.780 32.093 -4.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.249 33.756 -3.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.453 34.401 -3.577 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.216 35.218 -2.953 1.00 0.00 H new ATOM 1109 N VAL A 77 10.504 28.557 -5.629 1.00 0.00 N ATOM 1110 CA VAL A 77 11.858 28.269 -5.170 1.00 0.00 C ATOM 1111 C VAL A 77 12.893 29.006 -6.014 1.00 0.00 C ATOM 1112 O VAL A 77 13.947 29.403 -5.517 1.00 0.00 O ATOM 1113 CB VAL A 77 12.157 26.759 -5.215 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.344 26.023 -4.161 1.00 0.00 C ATOM 1115 CG2 VAL A 77 11.877 26.202 -6.602 1.00 0.00 C ATOM 0 H VAL A 77 10.006 27.751 -6.006 1.00 0.00 H new ATOM 0 HA VAL A 77 11.922 28.614 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 77 13.214 26.608 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.568 24.957 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.599 26.405 -3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.281 26.179 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.094 25.134 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.829 26.363 -6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.508 26.710 -7.332 1.00 0.00 H new ATOM 1125 N LYS A 78 12.584 29.186 -7.294 1.00 0.00 N ATOM 1126 CA LYS A 78 13.485 29.877 -8.209 1.00 0.00 C ATOM 1127 C LYS A 78 13.828 31.269 -7.687 1.00 0.00 C ATOM 1128 O LYS A 78 13.052 32.211 -7.846 1.00 0.00 O ATOM 1129 CB LYS A 78 12.852 29.983 -9.598 1.00 0.00 C ATOM 1130 CG LYS A 78 13.450 29.026 -10.614 1.00 0.00 C ATOM 1131 CD LYS A 78 13.719 29.717 -11.940 1.00 0.00 C ATOM 1132 CE LYS A 78 12.501 29.670 -12.850 1.00 0.00 C ATOM 1133 NZ LYS A 78 12.092 31.030 -13.299 1.00 0.00 N ATOM 0 H LYS A 78 11.716 28.863 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 78 14.406 29.298 -8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.782 29.791 -9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.965 31.004 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.380 28.613 -10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.770 28.189 -10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.000 30.755 -11.760 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.564 29.239 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.721 29.051 -13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.672 29.197 -12.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.259 30.956 -13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.857 31.613 -12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.874 31.472 -13.823 1.00 0.00 H new ATOM 1147 N GLY A 79 14.997 31.392 -7.065 1.00 0.00 N ATOM 1148 CA GLY A 79 15.422 32.673 -6.531 1.00 0.00 C ATOM 1149 C GLY A 79 14.977 32.879 -5.097 1.00 0.00 C ATOM 1150 O GLY A 79 14.522 33.963 -4.729 1.00 0.00 O ATOM 0 H GLY A 79 15.657 30.628 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.508 32.743 -6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.020 33.474 -7.152 1.00 0.00 H new ATOM 1154 N LYS A 80 15.107 31.837 -4.283 1.00 0.00 N ATOM 1155 CA LYS A 80 14.715 31.908 -2.880 1.00 0.00 C ATOM 1156 C LYS A 80 15.694 31.135 -2.002 1.00 0.00 C ATOM 1157 O LYS A 80 16.030 29.987 -2.292 1.00 0.00 O ATOM 1158 CB LYS A 80 13.301 31.353 -2.696 1.00 0.00 C ATOM 1159 CG LYS A 80 12.441 32.179 -1.755 1.00 0.00 C ATOM 1160 CD LYS A 80 11.337 32.907 -2.503 1.00 0.00 C ATOM 1161 CE LYS A 80 10.189 33.279 -1.577 1.00 0.00 C ATOM 1162 NZ LYS A 80 9.244 32.145 -1.382 1.00 0.00 N ATOM 0 H LYS A 80 15.481 30.933 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 80 14.730 32.955 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.812 31.299 -3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.366 30.334 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.002 31.530 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.065 32.903 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.741 33.808 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.965 32.276 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.588 33.590 -0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.652 34.133 -1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.837 32.193 -0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.481 32.204 -2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.753 31.245 -1.497 1.00 0.00 H new ATOM 1176 N SER A 81 16.147 31.771 -0.927 1.00 0.00 N ATOM 1177 CA SER A 81 17.090 31.144 -0.007 1.00 0.00 C ATOM 1178 C SER A 81 16.562 29.797 0.477 1.00 0.00 C ATOM 1179 O SER A 81 15.430 29.415 0.174 1.00 0.00 O ATOM 1180 CB SER A 81 17.355 32.060 1.189 1.00 0.00 C ATOM 1181 OG SER A 81 16.193 32.206 1.987 1.00 0.00 O ATOM 0 H SER A 81 15.877 32.721 -0.671 1.00 0.00 H new ATOM 0 HA SER A 81 18.025 30.978 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.165 31.650 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.683 33.038 0.836 1.00 0.00 H new ATOM 0 HG SER A 81 16.389 32.795 2.746 1.00 0.00 H new ATOM 1187 N LEU A 82 17.389 29.080 1.230 1.00 0.00 N ATOM 1188 CA LEU A 82 17.007 27.775 1.757 1.00 0.00 C ATOM 1189 C LEU A 82 15.895 27.910 2.792 1.00 0.00 C ATOM 1190 O LEU A 82 14.885 27.208 2.729 1.00 0.00 O ATOM 1191 CB LEU A 82 18.218 27.081 2.381 1.00 0.00 C ATOM 1192 CG LEU A 82 19.537 27.219 1.619 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.646 26.456 2.328 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.380 26.727 0.188 1.00 0.00 C ATOM 0 H LEU A 82 18.329 29.381 1.489 1.00 0.00 H new ATOM 0 HA LEU A 82 16.636 27.171 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.360 27.476 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.990 26.020 2.484 1.00 0.00 H new ATOM 0 HG LEU A 82 19.810 28.274 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.577 26.566 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.776 26.854 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.381 25.400 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.328 26.833 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.083 25.678 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.616 27.317 -0.318 1.00 0.00 H new ATOM 1206 N ASP A 83 16.086 28.818 3.743 1.00 0.00 N ATOM 1207 CA ASP A 83 15.098 29.048 4.791 1.00 0.00 C ATOM 1208 C ASP A 83 13.786 29.554 4.199 1.00 0.00 C ATOM 1209 O ASP A 83 12.706 29.125 4.603 1.00 0.00 O ATOM 1210 CB ASP A 83 15.632 30.053 5.813 1.00 0.00 C ATOM 1211 CG ASP A 83 16.355 29.380 6.963 1.00 0.00 C ATOM 1212 OD1 ASP A 83 15.872 28.328 7.434 1.00 0.00 O ATOM 1213 OD2 ASP A 83 17.404 29.904 7.392 1.00 0.00 O ATOM 0 H ASP A 83 16.916 29.407 3.810 1.00 0.00 H new ATOM 0 HA ASP A 83 14.908 28.099 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.311 30.746 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.804 30.644 6.204 1.00 0.00 H new ATOM 1218 N GLU A 84 13.889 30.469 3.240 1.00 0.00 N ATOM 1219 CA GLU A 84 12.710 31.034 2.594 1.00 0.00 C ATOM 1220 C GLU A 84 11.841 29.935 1.990 1.00 0.00 C ATOM 1221 O GLU A 84 10.666 29.801 2.330 1.00 0.00 O ATOM 1222 CB GLU A 84 13.124 32.028 1.507 1.00 0.00 C ATOM 1223 CG GLU A 84 13.544 33.384 2.049 1.00 0.00 C ATOM 1224 CD GLU A 84 12.383 34.353 2.161 1.00 0.00 C ATOM 1225 OE1 GLU A 84 11.977 34.915 1.123 1.00 0.00 O ATOM 1226 OE2 GLU A 84 11.881 34.548 3.288 1.00 0.00 O ATOM 0 H GLU A 84 14.776 30.834 2.894 1.00 0.00 H new ATOM 0 HA GLU A 84 12.128 31.558 3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.949 31.604 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.292 32.164 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.999 33.253 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.307 33.811 1.398 1.00 0.00 H new ATOM 1233 N ALA A 85 12.429 29.152 1.091 1.00 0.00 N ATOM 1234 CA ALA A 85 11.710 28.063 0.440 1.00 0.00 C ATOM 1235 C ALA A 85 11.215 27.044 1.461 1.00 0.00 C ATOM 1236 O ALA A 85 10.096 26.543 1.358 1.00 0.00 O ATOM 1237 CB ALA A 85 12.597 27.389 -0.595 1.00 0.00 C ATOM 0 H ALA A 85 13.401 29.251 0.797 1.00 0.00 H new ATOM 0 HA ALA A 85 10.840 28.485 -0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.047 26.578 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.896 28.118 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.485 26.987 -0.107 1.00 0.00 H new ATOM 1243 N GLN A 86 12.058 26.742 2.444 1.00 0.00 N ATOM 1244 CA GLN A 86 11.706 25.780 3.482 1.00 0.00 C ATOM 1245 C GLN A 86 10.600 26.328 4.379 1.00 0.00 C ATOM 1246 O GLN A 86 9.922 25.573 5.075 1.00 0.00 O ATOM 1247 CB GLN A 86 12.935 25.432 4.323 1.00 0.00 C ATOM 1248 CG GLN A 86 12.838 24.081 5.012 1.00 0.00 C ATOM 1249 CD GLN A 86 12.646 24.203 6.511 1.00 0.00 C ATOM 1250 OE1 GLN A 86 11.730 23.610 7.081 1.00 0.00 O ATOM 1251 NE2 GLN A 86 13.512 24.975 7.158 1.00 0.00 N ATOM 0 H GLN A 86 12.988 27.149 2.543 1.00 0.00 H new ATOM 0 HA GLN A 86 11.340 24.876 2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.817 25.442 3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 86 13.080 26.206 5.077 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.006 23.520 4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.744 23.509 4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 86 14.256 25.448 6.645 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.433 25.095 8.168 1.00 0.00 H new ATOM 1260 N ALA A 87 10.425 27.645 4.357 1.00 0.00 N ATOM 1261 CA ALA A 87 9.401 28.293 5.167 1.00 0.00 C ATOM 1262 C ALA A 87 8.026 28.161 4.521 1.00 0.00 C ATOM 1263 O ALA A 87 7.001 28.336 5.181 1.00 0.00 O ATOM 1264 CB ALA A 87 9.747 29.759 5.381 1.00 0.00 C ATOM 0 H ALA A 87 10.979 28.284 3.787 1.00 0.00 H new ATOM 0 HA ALA A 87 9.368 27.794 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.974 30.231 5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.706 29.835 5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.809 30.263 4.416 1.00 0.00 H new ATOM 1270 N ILE A 88 8.011 27.853 3.229 1.00 0.00 N ATOM 1271 CA ILE A 88 6.761 27.697 2.496 1.00 0.00 C ATOM 1272 C ILE A 88 5.816 26.742 3.217 1.00 0.00 C ATOM 1273 O ILE A 88 6.249 25.768 3.832 1.00 0.00 O ATOM 1274 CB ILE A 88 7.008 27.176 1.067 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.923 28.135 0.302 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.687 26.998 0.333 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.436 27.568 -1.002 1.00 0.00 C ATOM 0 H ILE A 88 8.850 27.707 2.668 1.00 0.00 H new ATOM 0 HA ILE A 88 6.302 28.684 2.440 1.00 0.00 H new ATOM 0 HB ILE A 88 7.501 26.206 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.380 29.058 0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.772 28.397 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.878 26.630 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.066 26.281 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.170 27.956 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 88 9.078 28.301 -1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.007 26.661 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.594 27.332 -1.653 1.00 0.00 H new ATOM 1289 N LYS A 89 4.521 27.028 3.136 1.00 0.00 N ATOM 1290 CA LYS A 89 3.511 26.194 3.777 1.00 0.00 C ATOM 1291 C LYS A 89 2.464 25.733 2.768 1.00 0.00 C ATOM 1292 O LYS A 89 2.090 26.479 1.865 1.00 0.00 O ATOM 1293 CB LYS A 89 2.835 26.960 4.916 1.00 0.00 C ATOM 1294 CG LYS A 89 3.756 27.244 6.090 1.00 0.00 C ATOM 1295 CD LYS A 89 4.223 28.690 6.095 1.00 0.00 C ATOM 1296 CE LYS A 89 3.104 29.636 6.503 1.00 0.00 C ATOM 1297 NZ LYS A 89 2.569 29.312 7.854 1.00 0.00 N ATOM 0 H LYS A 89 4.146 27.832 2.632 1.00 0.00 H new ATOM 0 HA LYS A 89 4.009 25.314 4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.451 27.904 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.977 26.387 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.236 27.025 7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.620 26.582 6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.062 28.800 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.585 28.960 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.474 30.661 6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.298 29.583 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.072 30.141 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.907 28.513 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.354 29.055 8.486 1.00 0.00 H new ATOM 1311 N ASN A 90 1.995 24.500 2.930 1.00 0.00 N ATOM 1312 CA ASN A 90 0.991 23.940 2.033 1.00 0.00 C ATOM 1313 C ASN A 90 -0.162 24.919 1.830 1.00 0.00 C ATOM 1314 O ASN A 90 -0.640 25.110 0.711 1.00 0.00 O ATOM 1315 CB ASN A 90 0.459 22.618 2.590 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.199 22.785 3.946 1.00 0.00 C ATOM 1317 OD1 ASN A 90 0.466 23.082 4.939 1.00 0.00 O ATOM 1318 ND2 ASN A 90 -1.512 22.593 3.994 1.00 0.00 N ATOM 0 H ASN A 90 2.294 23.870 3.674 1.00 0.00 H new ATOM 0 HA ASN A 90 1.464 23.756 1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.261 22.195 1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.280 21.905 2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.010 22.690 4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.023 22.348 3.146 1.00 0.00 H new ATOM 1325 N THR A 91 -0.605 25.538 2.920 1.00 0.00 N ATOM 1326 CA THR A 91 -1.701 26.497 2.862 1.00 0.00 C ATOM 1327 C THR A 91 -1.480 27.520 1.753 1.00 0.00 C ATOM 1328 O THR A 91 -2.426 27.950 1.094 1.00 0.00 O ATOM 1329 CB THR A 91 -1.871 27.238 4.202 1.00 0.00 C ATOM 1330 OG1 THR A 91 -2.847 28.277 4.067 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.549 27.833 4.662 1.00 0.00 C ATOM 0 H THR A 91 -0.221 25.392 3.854 1.00 0.00 H new ATOM 0 HA THR A 91 -2.607 25.928 2.652 1.00 0.00 H new ATOM 0 HB THR A 91 -2.208 26.520 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.950 28.742 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.694 28.351 5.610 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.183 27.036 4.792 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.188 28.539 3.914 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.224 27.905 1.553 1.00 0.00 N ATOM 1340 CA ASP A 92 0.122 28.876 0.522 1.00 0.00 C ATOM 1341 C ASP A 92 -0.033 28.271 -0.870 1.00 0.00 C ATOM 1342 O ASP A 92 -0.483 28.939 -1.802 1.00 0.00 O ATOM 1343 CB ASP A 92 1.555 29.372 0.719 1.00 0.00 C ATOM 1344 CG ASP A 92 1.619 30.858 1.010 1.00 0.00 C ATOM 1345 OD1 ASP A 92 1.036 31.642 0.230 1.00 0.00 O ATOM 1346 OD2 ASP A 92 2.250 31.239 2.018 1.00 0.00 O ATOM 0 H ASP A 92 0.571 27.560 2.091 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.562 29.720 0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.016 28.824 1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.138 29.155 -0.176 1.00 0.00 H new ATOM 1351 N ILE A 93 0.342 27.003 -1.003 1.00 0.00 N ATOM 1352 CA ILE A 93 0.244 26.308 -2.281 1.00 0.00 C ATOM 1353 C ILE A 93 -1.204 25.964 -2.610 1.00 0.00 C ATOM 1354 O ILE A 93 -1.598 25.941 -3.775 1.00 0.00 O ATOM 1355 CB ILE A 93 1.081 25.015 -2.284 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.570 25.345 -2.165 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.809 24.212 -3.547 1.00 0.00 C ATOM 1358 CD1 ILE A 93 3.017 25.621 -0.747 1.00 0.00 C ATOM 0 H ILE A 93 0.716 26.436 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 93 0.635 26.986 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 93 0.793 24.411 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.151 24.514 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.791 26.215 -2.783 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.408 23.301 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.248 23.951 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.073 24.808 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.083 25.847 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.463 26.471 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.828 24.744 -0.129 1.00 0.00 H new ATOM 1370 N ALA A 94 -1.994 25.698 -1.574 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.400 25.359 -1.753 1.00 0.00 C ATOM 1372 C ALA A 94 -4.179 26.535 -2.331 1.00 0.00 C ATOM 1373 O ALA A 94 -4.906 26.387 -3.313 1.00 0.00 O ATOM 1374 CB ALA A 94 -4.009 24.919 -0.429 1.00 0.00 C ATOM 0 H ALA A 94 -1.684 25.711 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.462 24.533 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.060 24.669 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.476 24.044 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.928 25.729 0.296 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.023 27.703 -1.716 1.00 0.00 N ATOM 1381 CA GLU A 95 -4.714 28.904 -2.170 1.00 0.00 C ATOM 1382 C GLU A 95 -4.038 29.485 -3.409 1.00 0.00 C ATOM 1383 O GLU A 95 -4.650 30.236 -4.167 1.00 0.00 O ATOM 1384 CB GLU A 95 -4.748 29.952 -1.056 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.335 29.436 0.247 1.00 0.00 C ATOM 1386 CD GLU A 95 -6.848 29.345 0.210 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.445 29.789 -0.793 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.435 28.828 1.184 1.00 0.00 O ATOM 0 H GLU A 95 -3.424 27.843 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.736 28.628 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.734 30.308 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.331 30.809 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.921 28.451 0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.034 30.094 1.062 1.00 0.00 H new ATOM 1395 N GLU A 96 -2.772 29.130 -3.606 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.013 29.617 -4.752 1.00 0.00 C ATOM 1397 C GLU A 96 -2.693 29.226 -6.061 1.00 0.00 C ATOM 1398 O GLU A 96 -2.955 30.073 -6.916 1.00 0.00 O ATOM 1399 CB GLU A 96 -0.587 29.064 -4.720 1.00 0.00 C ATOM 1400 CG GLU A 96 0.453 30.086 -4.294 1.00 0.00 C ATOM 1401 CD GLU A 96 0.812 31.052 -5.406 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.109 31.505 -6.118 1.00 0.00 O ATOM 1403 OE2 GLU A 96 2.013 31.354 -5.566 1.00 0.00 O ATOM 0 H GLU A 96 -2.251 28.508 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.974 30.705 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.551 28.215 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.330 28.688 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.077 30.647 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.353 29.567 -3.964 1.00 0.00 H new ATOM 1410 N LEU A 97 -2.976 27.937 -6.212 1.00 0.00 N ATOM 1411 CA LEU A 97 -3.624 27.431 -7.416 1.00 0.00 C ATOM 1412 C LEU A 97 -5.066 27.022 -7.128 1.00 0.00 C ATOM 1413 O LEU A 97 -5.790 26.593 -8.026 1.00 0.00 O ATOM 1414 CB LEU A 97 -2.847 26.239 -7.976 1.00 0.00 C ATOM 1415 CG LEU A 97 -1.411 26.522 -8.420 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -0.459 25.486 -7.843 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -1.318 26.548 -9.939 1.00 0.00 C ATOM 0 H LEU A 97 -2.766 27.223 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.633 28.231 -8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.824 25.457 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.397 25.840 -8.828 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.121 27.502 -8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.558 25.704 -8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.504 25.516 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.747 24.494 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.289 26.751 -10.237 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.628 25.583 -10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.970 27.329 -10.330 1.00 0.00 H new ATOM 1429 N GLU A 98 -5.474 27.161 -5.871 1.00 0.00 N ATOM 1430 CA GLU A 98 -6.830 26.807 -5.466 1.00 0.00 C ATOM 1431 C GLU A 98 -7.171 25.383 -5.893 1.00 0.00 C ATOM 1432 O GLU A 98 -8.067 25.166 -6.710 1.00 0.00 O ATOM 1433 CB GLU A 98 -7.838 27.788 -6.068 1.00 0.00 C ATOM 1434 CG GLU A 98 -7.793 29.171 -5.440 1.00 0.00 C ATOM 1435 CD GLU A 98 -9.168 29.688 -5.068 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.087 29.590 -5.908 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -9.326 30.192 -3.936 1.00 0.00 O ATOM 0 H GLU A 98 -4.887 27.516 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.884 26.864 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.650 27.878 -7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.842 27.379 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.167 29.141 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.323 29.867 -6.136 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.451 24.416 -5.336 1.00 0.00 N ATOM 1445 CA LEU A 99 -6.676 23.011 -5.659 1.00 0.00 C ATOM 1446 C LEU A 99 -8.087 22.582 -5.269 1.00 0.00 C ATOM 1447 O LEU A 99 -8.711 23.153 -4.374 1.00 0.00 O ATOM 1448 CB LEU A 99 -5.648 22.132 -4.944 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.550 21.534 -5.824 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -3.636 22.628 -6.354 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -3.749 20.499 -5.048 1.00 0.00 C ATOM 0 H LEU A 99 -5.706 24.579 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.563 22.889 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.176 22.724 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.177 21.316 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.021 21.039 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.861 22.184 -6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.219 23.334 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.173 23.152 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.972 20.084 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.289 20.971 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.412 19.699 -4.717 1.00 0.00 H new ATOM 1463 N PRO A 100 -8.603 21.551 -5.954 1.00 0.00 N ATOM 1464 CA PRO A 100 -9.945 21.021 -5.696 1.00 0.00 C ATOM 1465 C PRO A 100 -10.035 20.301 -4.355 1.00 0.00 C ATOM 1466 O PRO A 100 -9.041 19.811 -3.817 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.166 20.036 -6.847 1.00 0.00 C ATOM 1468 CG PRO A 100 -8.795 19.624 -7.261 1.00 0.00 C ATOM 1469 CD PRO A 100 -7.916 20.823 -7.035 1.00 0.00 C ATOM 0 HA PRO A 100 -10.693 21.813 -5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.757 19.178 -6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.705 20.504 -7.671 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.450 18.772 -6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.778 19.320 -8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -6.906 20.532 -6.745 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.826 21.431 -7.935 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.254 20.233 -3.799 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.503 19.574 -2.514 1.00 0.00 C ATOM 1479 C PRO A 101 -11.351 18.059 -2.600 1.00 0.00 C ATOM 1480 O PRO A 101 -11.310 17.370 -1.581 1.00 0.00 O ATOM 1481 CB PRO A 101 -12.953 19.948 -2.197 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.574 20.214 -3.525 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.484 20.795 -4.383 1.00 0.00 C ATOM 0 HA PRO A 101 -10.791 19.889 -1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.465 19.140 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.004 20.826 -1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -13.968 19.297 -3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.410 20.908 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.600 20.509 -5.428 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.484 21.884 -4.349 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.267 17.546 -3.824 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.118 16.112 -4.043 1.00 0.00 C ATOM 1493 C VAL A 102 -9.966 15.547 -3.219 1.00 0.00 C ATOM 1494 O VAL A 102 -10.083 14.477 -2.621 1.00 0.00 O ATOM 1495 CB VAL A 102 -10.875 15.795 -5.531 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -12.126 16.075 -6.348 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -9.693 16.593 -6.059 1.00 0.00 C ATOM 0 H VAL A 102 -11.300 18.102 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.050 15.644 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.639 14.735 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.935 15.845 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -12.945 15.454 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.396 17.126 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.536 16.357 -7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.897 17.659 -5.953 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.798 16.336 -5.492 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.854 16.273 -3.191 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.680 15.847 -2.439 1.00 0.00 C ATOM 1509 C LYS A 103 -6.760 17.028 -2.150 1.00 0.00 C ATOM 1510 O LYS A 103 -5.702 17.168 -2.763 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.916 14.770 -3.214 1.00 0.00 C ATOM 1512 CG LYS A 103 -6.088 13.855 -2.328 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.861 12.606 -1.940 1.00 0.00 C ATOM 1514 CE LYS A 103 -6.818 11.560 -3.044 1.00 0.00 C ATOM 1515 NZ LYS A 103 -6.735 10.178 -2.495 1.00 0.00 N ATOM 0 H LYS A 103 -8.741 17.160 -3.681 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.019 15.433 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.627 14.168 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.259 15.252 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.174 13.571 -2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.788 14.392 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.443 12.188 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.897 12.869 -1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.709 11.651 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.959 11.747 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.708 9.494 -3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.872 10.083 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.567 9.990 -1.900 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.170 17.876 -1.212 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.381 19.043 -0.840 1.00 0.00 C ATOM 1531 C ILE A 104 -4.936 18.658 -0.542 1.00 0.00 C ATOM 1532 O ILE A 104 -4.020 19.463 -0.713 1.00 0.00 O ATOM 1533 CB ILE A 104 -6.975 19.756 0.389 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.390 20.252 0.084 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.082 20.913 0.814 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.443 21.284 -1.021 1.00 0.00 C ATOM 0 H ILE A 104 -8.044 17.776 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.405 19.724 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.030 19.044 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -9.012 19.401 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.820 20.679 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.515 21.407 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.092 20.534 1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -5.998 21.628 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.476 21.590 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -7.848 22.152 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.043 20.854 -1.940 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.739 17.422 -0.096 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.405 16.928 0.225 1.00 0.00 C ATOM 1550 C HIS A 105 -2.456 17.123 -0.954 1.00 0.00 C ATOM 1551 O HIS A 105 -1.240 17.210 -0.777 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.463 15.449 0.608 1.00 0.00 C ATOM 1553 CG HIS A 105 -3.623 15.218 2.079 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -4.076 16.187 2.949 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -3.389 14.118 2.833 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -4.112 15.694 4.174 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -3.701 14.440 4.131 1.00 0.00 N ATOM 0 H HIS A 105 -5.486 16.744 0.051 1.00 0.00 H new ATOM 0 HA HIS A 105 -3.027 17.500 1.073 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.293 14.978 0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.551 14.958 0.268 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.025 13.165 2.479 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -4.425 16.226 5.060 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -3.627 13.812 4.932 1.00 0.00 H new ATOM 1565 N CYS A 106 -3.019 17.189 -2.156 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.223 17.372 -3.364 1.00 0.00 C ATOM 1567 C CYS A 106 -1.406 18.658 -3.288 1.00 0.00 C ATOM 1568 O CYS A 106 -0.419 18.822 -4.004 1.00 0.00 O ATOM 1569 CB CYS A 106 -3.128 17.401 -4.597 1.00 0.00 C ATOM 1570 SG CYS A 106 -3.655 15.767 -5.164 1.00 0.00 S ATOM 0 H CYS A 106 -4.023 17.118 -2.319 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.535 16.530 -3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -4.012 17.998 -4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.602 17.903 -5.409 1.00 0.00 H new ATOM 0 HG CYS A 106 -4.418 15.895 -6.209 1.00 0.00 H new ATOM 1576 N SER A 107 -1.827 19.570 -2.416 1.00 0.00 N ATOM 1577 CA SER A 107 -1.138 20.844 -2.250 1.00 0.00 C ATOM 1578 C SER A 107 -0.036 20.733 -1.201 1.00 0.00 C ATOM 1579 O SER A 107 0.962 21.451 -1.256 1.00 0.00 O ATOM 1580 CB SER A 107 -2.132 21.936 -1.850 1.00 0.00 C ATOM 1581 OG SER A 107 -2.019 22.248 -0.472 1.00 0.00 O ATOM 0 H SER A 107 -2.642 19.450 -1.814 1.00 0.00 H new ATOM 0 HA SER A 107 -0.681 21.110 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.952 22.832 -2.445 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.147 21.606 -2.069 1.00 0.00 H new ATOM 0 HG SER A 107 -2.815 21.929 0.002 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.226 19.829 -0.246 1.00 0.00 N ATOM 1588 CA ILE A 108 0.751 19.623 0.815 1.00 0.00 C ATOM 1589 C ILE A 108 1.947 18.819 0.314 1.00 0.00 C ATOM 1590 O ILE A 108 3.037 18.887 0.883 1.00 0.00 O ATOM 1591 CB ILE A 108 0.128 18.895 2.021 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -0.961 19.760 2.659 1.00 0.00 C ATOM 1593 CG2 ILE A 108 1.201 18.547 3.042 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -2.081 18.958 3.283 1.00 0.00 C ATOM 0 H ILE A 108 -1.048 19.228 -0.186 1.00 0.00 H new ATOM 0 HA ILE A 108 1.086 20.611 1.130 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.328 17.968 1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.510 20.394 3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.378 20.423 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.745 18.033 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.945 17.897 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.683 19.461 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.817 19.636 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.558 18.344 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.676 18.315 4.065 1.00 0.00 H new ATOM 1606 N LEU A 109 1.735 18.061 -0.756 1.00 0.00 N ATOM 1607 CA LEU A 109 2.796 17.245 -1.337 1.00 0.00 C ATOM 1608 C LEU A 109 3.774 18.107 -2.129 1.00 0.00 C ATOM 1609 O LEU A 109 4.945 17.758 -2.278 1.00 0.00 O ATOM 1610 CB LEU A 109 2.199 16.168 -2.244 1.00 0.00 C ATOM 1611 CG LEU A 109 1.438 15.044 -1.539 1.00 0.00 C ATOM 1612 CD1 LEU A 109 0.968 14.005 -2.546 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.308 14.399 -0.471 1.00 0.00 C ATOM 0 H LEU A 109 0.839 17.994 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 109 3.339 16.766 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.523 16.650 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.006 15.724 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 109 0.561 15.473 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.429 13.213 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.308 14.476 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.830 13.580 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.750 13.602 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.204 13.984 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.595 15.149 0.267 1.00 0.00 H new ATOM 1625 N ALA A 110 3.286 19.236 -2.634 1.00 0.00 N ATOM 1626 CA ALA A 110 4.118 20.150 -3.406 1.00 0.00 C ATOM 1627 C ALA A 110 5.107 20.885 -2.508 1.00 0.00 C ATOM 1628 O ALA A 110 6.251 21.123 -2.894 1.00 0.00 O ATOM 1629 CB ALA A 110 3.248 21.144 -4.162 1.00 0.00 C ATOM 0 H ALA A 110 2.319 19.539 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 110 4.689 19.563 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.882 21.821 -4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.586 20.606 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.652 21.718 -3.453 1.00 0.00 H new ATOM 1635 N GLU A 111 4.657 21.242 -1.309 1.00 0.00 N ATOM 1636 CA GLU A 111 5.504 21.952 -0.357 1.00 0.00 C ATOM 1637 C GLU A 111 6.406 20.980 0.399 1.00 0.00 C ATOM 1638 O GLU A 111 7.436 21.372 0.947 1.00 0.00 O ATOM 1639 CB GLU A 111 4.645 22.743 0.632 1.00 0.00 C ATOM 1640 CG GLU A 111 3.853 21.865 1.587 1.00 0.00 C ATOM 1641 CD GLU A 111 4.157 22.165 3.042 1.00 0.00 C ATOM 1642 OE1 GLU A 111 5.314 22.523 3.346 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.237 22.040 3.878 1.00 0.00 O ATOM 0 H GLU A 111 3.713 21.052 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 111 6.133 22.645 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.289 23.406 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.954 23.376 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.787 22.006 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.075 20.818 1.381 1.00 0.00 H new ATOM 1650 N ASP A 112 6.010 19.713 0.424 1.00 0.00 N ATOM 1651 CA ASP A 112 6.781 18.684 1.112 1.00 0.00 C ATOM 1652 C ASP A 112 7.949 18.214 0.250 1.00 0.00 C ATOM 1653 O ASP A 112 8.915 17.642 0.755 1.00 0.00 O ATOM 1654 CB ASP A 112 5.885 17.498 1.469 1.00 0.00 C ATOM 1655 CG ASP A 112 4.949 17.806 2.621 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.036 18.922 3.174 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.129 16.930 2.969 1.00 0.00 O ATOM 0 H ASP A 112 5.159 19.373 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 112 7.180 19.116 2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.299 17.213 0.595 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.507 16.642 1.729 1.00 0.00 H new ATOM 1662 N ALA A 113 7.853 18.458 -1.053 1.00 0.00 N ATOM 1663 CA ALA A 113 8.901 18.061 -1.984 1.00 0.00 C ATOM 1664 C ALA A 113 10.016 19.100 -2.031 1.00 0.00 C ATOM 1665 O ALA A 113 11.192 18.770 -1.874 1.00 0.00 O ATOM 1666 CB ALA A 113 8.319 17.845 -3.373 1.00 0.00 C ATOM 0 H ALA A 113 7.059 18.929 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 113 9.329 17.123 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.113 17.549 -4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.563 17.061 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.863 18.771 -3.724 1.00 0.00 H new ATOM 1672 N ILE A 114 9.640 20.356 -2.249 1.00 0.00 N ATOM 1673 CA ILE A 114 10.609 21.443 -2.317 1.00 0.00 C ATOM 1674 C ILE A 114 11.535 21.429 -1.106 1.00 0.00 C ATOM 1675 O ILE A 114 12.734 21.684 -1.224 1.00 0.00 O ATOM 1676 CB ILE A 114 9.912 22.814 -2.401 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.954 22.996 -1.221 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.167 22.949 -3.721 1.00 0.00 C ATOM 1679 CD1 ILE A 114 9.525 23.844 -0.106 1.00 0.00 C ATOM 0 H ILE A 114 8.671 20.646 -2.382 1.00 0.00 H new ATOM 0 HA ILE A 114 11.196 21.287 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 114 10.671 23.595 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.032 23.454 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.690 22.016 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.680 23.923 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.872 22.858 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.415 22.163 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 114 8.793 23.931 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 114 10.431 23.377 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.763 24.836 -0.489 1.00 0.00 H new ATOM 1691 N LYS A 115 10.972 21.128 0.060 1.00 0.00 N ATOM 1692 CA LYS A 115 11.747 21.078 1.294 1.00 0.00 C ATOM 1693 C LYS A 115 12.715 19.899 1.281 1.00 0.00 C ATOM 1694 O LYS A 115 13.862 20.020 1.709 1.00 0.00 O ATOM 1695 CB LYS A 115 10.814 20.972 2.502 1.00 0.00 C ATOM 1696 CG LYS A 115 11.529 21.103 3.836 1.00 0.00 C ATOM 1697 CD LYS A 115 12.044 19.761 4.327 1.00 0.00 C ATOM 1698 CE LYS A 115 13.483 19.859 4.810 1.00 0.00 C ATOM 1699 NZ LYS A 115 13.788 18.842 5.854 1.00 0.00 N ATOM 0 H LYS A 115 9.981 20.915 0.176 1.00 0.00 H new ATOM 0 HA LYS A 115 12.325 21.999 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.051 21.747 2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.298 20.013 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.362 21.799 3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.848 21.525 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.411 19.402 5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.978 19.028 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.159 19.727 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.665 20.856 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.723 19.036 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.066 18.884 6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.788 17.894 5.426 1.00 0.00 H new ATOM 1713 N ALA A 116 12.244 18.758 0.786 1.00 0.00 N ATOM 1714 CA ALA A 116 13.069 17.559 0.714 1.00 0.00 C ATOM 1715 C ALA A 116 14.367 17.829 -0.039 1.00 0.00 C ATOM 1716 O ALA A 116 15.386 17.186 0.210 1.00 0.00 O ATOM 1717 CB ALA A 116 12.298 16.427 0.051 1.00 0.00 C ATOM 0 H ALA A 116 11.296 18.640 0.429 1.00 0.00 H new ATOM 0 HA ALA A 116 13.325 17.263 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.926 15.538 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.402 16.208 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.013 16.723 -0.958 1.00 0.00 H new ATOM 1723 N ALA A 117 14.323 18.785 -0.961 1.00 0.00 N ATOM 1724 CA ALA A 117 15.496 19.142 -1.749 1.00 0.00 C ATOM 1725 C ALA A 117 16.458 20.006 -0.942 1.00 0.00 C ATOM 1726 O ALA A 117 17.674 19.823 -1.005 1.00 0.00 O ATOM 1727 CB ALA A 117 15.077 19.862 -3.023 1.00 0.00 C ATOM 0 H ALA A 117 13.487 19.326 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 117 16.015 18.222 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.963 20.123 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.436 19.210 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.532 20.770 -2.765 1.00 0.00 H new ATOM 1733 N ILE A 118 15.906 20.949 -0.185 1.00 0.00 N ATOM 1734 CA ILE A 118 16.716 21.841 0.634 1.00 0.00 C ATOM 1735 C ILE A 118 17.495 21.063 1.690 1.00 0.00 C ATOM 1736 O ILE A 118 18.622 21.418 2.031 1.00 0.00 O ATOM 1737 CB ILE A 118 15.850 22.906 1.333 1.00 0.00 C ATOM 1738 CG1 ILE A 118 15.116 23.758 0.296 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.709 23.780 2.234 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.236 24.827 0.906 1.00 0.00 C ATOM 0 H ILE A 118 14.901 21.114 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 118 17.416 22.337 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 118 15.108 22.401 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.849 24.231 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.504 23.108 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 118 16.082 24.527 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.189 23.160 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.472 24.279 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.747 25.392 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.480 24.360 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.846 25.500 1.508 1.00 0.00 H new ATOM 1752 N ALA A 119 16.885 19.998 2.201 1.00 0.00 N ATOM 1753 CA ALA A 119 17.523 19.167 3.215 1.00 0.00 C ATOM 1754 C ALA A 119 18.570 18.249 2.593 1.00 0.00 C ATOM 1755 O ALA A 119 19.467 17.761 3.280 1.00 0.00 O ATOM 1756 CB ALA A 119 16.478 18.350 3.960 1.00 0.00 C ATOM 0 H ALA A 119 15.951 19.691 1.930 1.00 0.00 H new ATOM 0 HA ALA A 119 18.028 19.824 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 119 16.968 17.734 4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.769 19.021 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 119 15.948 17.709 3.256 1.00 0.00 H new ATOM 1762 N ASP A 120 18.448 18.018 1.291 1.00 0.00 N ATOM 1763 CA ASP A 120 19.385 17.158 0.576 1.00 0.00 C ATOM 1764 C ASP A 120 20.676 17.907 0.259 1.00 0.00 C ATOM 1765 O ASP A 120 21.753 17.312 0.203 1.00 0.00 O ATOM 1766 CB ASP A 120 18.751 16.640 -0.716 1.00 0.00 C ATOM 1767 CG ASP A 120 18.423 15.161 -0.647 1.00 0.00 C ATOM 1768 OD1 ASP A 120 17.549 14.785 0.162 1.00 0.00 O ATOM 1769 OD2 ASP A 120 19.041 14.381 -1.401 1.00 0.00 O ATOM 0 H ASP A 120 17.710 18.414 0.709 1.00 0.00 H new ATOM 0 HA ASP A 120 19.626 16.311 1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.840 17.202 -0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.431 16.820 -1.549 1.00 0.00 H new ATOM 1774 N TYR A 121 20.560 19.214 0.051 1.00 0.00 N ATOM 1775 CA TYR A 121 21.717 20.043 -0.264 1.00 0.00 C ATOM 1776 C TYR A 121 22.659 20.141 0.932 1.00 0.00 C ATOM 1777 O TYR A 121 23.857 19.883 0.817 1.00 0.00 O ATOM 1778 CB TYR A 121 21.268 21.442 -0.689 1.00 0.00 C ATOM 1779 CG TYR A 121 22.406 22.426 -0.833 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.557 22.090 -1.536 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.332 23.692 -0.265 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.600 22.986 -1.669 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.370 24.595 -0.395 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.501 24.237 -1.097 1.00 0.00 C ATOM 1785 OH TYR A 121 25.538 25.133 -1.227 1.00 0.00 O ATOM 0 H TYR A 121 19.677 19.722 0.095 1.00 0.00 H new ATOM 0 HA TYR A 121 22.254 19.574 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.738 21.371 -1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.558 21.825 0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.637 21.112 -1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.448 23.975 0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.488 22.708 -2.218 1.00 0.00 H new ATOM 0 HE2 TYR A 121 23.295 25.576 0.051 1.00 0.00 H new ATOM 0 HH TYR A 121 25.309 25.968 -0.767 1.00 0.00 H new ATOM 1795 N LYS A 122 22.108 20.516 2.082 1.00 0.00 N ATOM 1796 CA LYS A 122 22.896 20.648 3.301 1.00 0.00 C ATOM 1797 C LYS A 122 23.593 19.335 3.642 1.00 0.00 C ATOM 1798 O LYS A 122 24.618 19.325 4.325 1.00 0.00 O ATOM 1799 CB LYS A 122 22.002 21.080 4.466 1.00 0.00 C ATOM 1800 CG LYS A 122 21.097 22.255 4.135 1.00 0.00 C ATOM 1801 CD LYS A 122 20.767 23.070 5.374 1.00 0.00 C ATOM 1802 CE LYS A 122 19.539 22.528 6.088 1.00 0.00 C ATOM 1803 NZ LYS A 122 19.886 21.910 7.398 1.00 0.00 N ATOM 0 H LYS A 122 21.118 20.734 2.195 1.00 0.00 H new ATOM 0 HA LYS A 122 23.657 21.410 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.387 20.234 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.630 21.344 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.583 22.893 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.175 21.889 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.618 23.060 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.596 24.109 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 122 18.825 23.336 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.049 21.788 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 19.022 21.553 7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 20.548 21.123 7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 20.331 22.623 8.011 1.00 0.00 H new ATOM 1817 N SER A 123 23.033 18.230 3.162 1.00 0.00 N ATOM 1818 CA SER A 123 23.601 16.911 3.418 1.00 0.00 C ATOM 1819 C SER A 123 24.792 16.645 2.502 1.00 0.00 C ATOM 1820 O SER A 123 25.622 15.779 2.779 1.00 0.00 O ATOM 1821 CB SER A 123 22.539 15.828 3.220 1.00 0.00 C ATOM 1822 OG SER A 123 21.391 16.088 4.009 1.00 0.00 O ATOM 0 H SER A 123 22.186 18.221 2.593 1.00 0.00 H new ATOM 0 HA SER A 123 23.947 16.886 4.451 1.00 0.00 H new ATOM 0 HB2 SER A 123 22.257 15.779 2.168 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.953 14.855 3.485 1.00 0.00 H new ATOM 0 HG SER A 123 20.917 16.867 3.650 1.00 0.00 H new ATOM 1828 N LYS A 124 24.869 17.397 1.410 1.00 0.00 N ATOM 1829 CA LYS A 124 25.958 17.246 0.452 1.00 0.00 C ATOM 1830 C LYS A 124 27.246 17.862 0.990 1.00 0.00 C ATOM 1831 O LYS A 124 28.344 17.478 0.587 1.00 0.00 O ATOM 1832 CB LYS A 124 25.587 17.899 -0.881 1.00 0.00 C ATOM 1833 CG LYS A 124 24.448 17.201 -1.604 1.00 0.00 C ATOM 1834 CD LYS A 124 24.945 16.011 -2.408 1.00 0.00 C ATOM 1835 CE LYS A 124 25.434 16.433 -3.785 1.00 0.00 C ATOM 1836 NZ LYS A 124 25.565 15.272 -4.708 1.00 0.00 N ATOM 0 H LYS A 124 24.190 18.118 1.166 1.00 0.00 H new ATOM 0 HA LYS A 124 26.124 16.180 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 124 25.310 18.938 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 124 26.464 17.909 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 124 23.706 16.867 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 124 23.950 17.908 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 124 25.754 15.519 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 124 24.142 15.281 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.740 17.158 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 124 26.398 16.932 -3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.901 15.602 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 26.246 14.591 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 24.640 14.811 -4.819 1.00 0.00 H new ATOM 1850 N ARG A 125 27.103 18.816 1.904 1.00 0.00 N ATOM 1851 CA ARG A 125 28.255 19.484 2.497 1.00 0.00 C ATOM 1852 C ARG A 125 28.452 19.045 3.945 1.00 0.00 C ATOM 1853 O ARG A 125 29.449 19.390 4.578 1.00 0.00 O ATOM 1854 CB ARG A 125 28.080 21.003 2.433 1.00 0.00 C ATOM 1855 CG ARG A 125 26.851 21.506 3.172 1.00 0.00 C ATOM 1856 CD ARG A 125 27.211 22.045 4.548 1.00 0.00 C ATOM 1857 NE ARG A 125 26.162 21.782 5.530 1.00 0.00 N ATOM 1858 CZ ARG A 125 26.322 21.949 6.838 1.00 0.00 C ATOM 1859 NH1 ARG A 125 27.482 22.376 7.319 1.00 0.00 N ATOM 1860 NH2 ARG A 125 25.320 21.689 7.669 1.00 0.00 N ATOM 0 H ARG A 125 26.201 19.144 2.250 1.00 0.00 H new ATOM 0 HA ARG A 125 29.140 19.203 1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.966 21.480 2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 125 28.016 21.309 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 125 26.369 22.290 2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 125 26.130 20.695 3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 125 28.143 21.590 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.385 23.119 4.483 1.00 0.00 H new ATOM 0 HE ARG A 125 25.258 21.452 5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 125 28.254 22.577 6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 125 27.602 22.503 8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.426 21.361 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 125 25.444 21.818 8.673 1.00 0.00 H new