USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 HIS : no HE2:sc= -6.97! C(o=-7!,f=-11!) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 64 GLN : amide:sc= 0 X(o=-7,f=-6.8) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.00443 X(o=-0.0044,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -5:sc= 0.144 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -135:sc= -0.295 (180deg=-1.15!) USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 56 TYR OH : rot 143:sc= -0.395 USER MOD Single : A 59 MET CE :methyl -174:sc= -3.05! (180deg=-3.38!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 148:sc= -2.24 (180deg=-3.14!) USER MOD Single : A 71 THR OG1 : rot -73:sc= 0.00101 USER MOD Single : A 76 MET CE :methyl -117:sc= -4.5! (180deg=-8.72!) USER MOD Single : A 78 MET CE :methyl -112:sc= -2.78 (180deg=-6.94!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 CYS SG : rot -5:sc= 0.381 USER MOD Single : A 84 LYS NZ :NH3+ -177:sc= 0.0875 (180deg=0.0846) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= -0.0203 (180deg=-0.0682) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 355 N GLY A 25 -8.627 9.248 -8.810 1.00 0.00 N ATOM 356 CA GLY A 25 -7.263 8.853 -8.514 1.00 0.00 C ATOM 357 C GLY A 25 -7.186 7.501 -7.833 1.00 0.00 C ATOM 358 O GLY A 25 -7.757 7.305 -6.759 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.688 8.824 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.801 9.605 -7.875 1.00 0.00 H new ATOM 362 N ARG A 26 -6.481 6.564 -8.459 1.00 0.00 N ATOM 363 CA ARG A 26 -6.335 5.222 -7.908 1.00 0.00 C ATOM 364 C ARG A 26 -4.920 5.002 -7.380 1.00 0.00 C ATOM 365 O ARG A 26 -3.984 4.790 -8.151 1.00 0.00 O ATOM 366 CB ARG A 26 -6.662 4.172 -8.972 1.00 0.00 C ATOM 367 CG ARG A 26 -7.927 4.477 -9.759 1.00 0.00 C ATOM 368 CD ARG A 26 -7.615 4.792 -11.214 1.00 0.00 C ATOM 369 NE ARG A 26 -8.748 5.409 -11.896 1.00 0.00 N ATOM 370 CZ ARG A 26 -8.763 5.687 -13.195 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.711 5.401 -13.949 1.00 0.00 N ATOM 372 NH2 ARG A 26 -9.832 6.250 -13.742 1.00 0.00 N ATOM 0 H ARG A 26 -6.002 6.710 -9.348 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.035 5.119 -7.078 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.823 4.094 -9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.769 3.200 -8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.604 3.624 -9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.444 5.322 -9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.755 5.460 -11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.336 3.874 -11.732 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.575 5.640 -11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.888 4.967 -13.532 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.725 5.615 -14.946 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.644 6.470 -13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.842 6.463 -14.739 1.00 0.00 H new ATOM 386 N VAL A 27 -4.773 5.054 -6.060 1.00 0.00 N ATOM 387 CA VAL A 27 -3.473 4.861 -5.428 1.00 0.00 C ATOM 388 C VAL A 27 -3.582 3.942 -4.217 1.00 0.00 C ATOM 389 O VAL A 27 -4.175 4.305 -3.201 1.00 0.00 O ATOM 390 CB VAL A 27 -2.858 6.203 -4.987 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.535 5.974 -4.271 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.674 7.124 -6.184 1.00 0.00 C ATOM 0 H VAL A 27 -5.538 5.228 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.824 4.400 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.543 6.685 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.115 6.933 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.701 5.354 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.840 5.470 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.239 8.067 -5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.010 6.652 -6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.641 7.314 -6.649 1.00 0.00 H new ATOM 402 N ILE A 28 -3.005 2.750 -4.332 1.00 0.00 N ATOM 403 CA ILE A 28 -3.036 1.779 -3.246 1.00 0.00 C ATOM 404 C ILE A 28 -2.009 2.122 -2.173 1.00 0.00 C ATOM 405 O ILE A 28 -0.803 2.026 -2.399 1.00 0.00 O ATOM 406 CB ILE A 28 -2.768 0.352 -3.759 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.806 -0.037 -4.814 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.784 -0.638 -2.604 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.146 -0.426 -4.232 1.00 0.00 C ATOM 0 H ILE A 28 -2.511 2.434 -5.166 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.036 1.820 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.781 0.327 -4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.946 0.799 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.419 -0.869 -5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.593 -1.642 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.012 -0.369 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.759 -0.613 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.830 -0.689 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.020 -1.282 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.555 0.412 -3.668 1.00 0.00 H new ATOM 421 N HIS A 29 -2.496 2.521 -1.001 1.00 0.00 N ATOM 422 CA HIS A 29 -1.620 2.876 0.109 1.00 0.00 C ATOM 423 C HIS A 29 -1.248 1.641 0.925 1.00 0.00 C ATOM 424 O HIS A 29 -2.118 0.956 1.465 1.00 0.00 O ATOM 425 CB HIS A 29 -2.297 3.911 1.010 1.00 0.00 C ATOM 426 CG HIS A 29 -1.332 4.821 1.706 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.718 5.981 2.342 1.00 0.00 N ATOM 428 CD2 HIS A 29 0.010 4.734 1.865 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.656 6.571 2.861 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.405 5.834 2.587 1.00 0.00 N ATOM 0 H HIS A 29 -3.492 2.606 -0.797 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.707 3.305 -0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.981 4.511 0.410 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.898 3.393 1.757 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.675 6.330 2.403 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.650 3.947 1.494 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.656 7.498 3.415 1.00 0.00 H new ATOM 438 N LEU A 30 0.047 1.362 1.010 1.00 0.00 N ATOM 439 CA LEU A 30 0.535 0.209 1.759 1.00 0.00 C ATOM 440 C LEU A 30 1.334 0.651 2.981 1.00 0.00 C ATOM 441 O LEU A 30 2.433 1.190 2.854 1.00 0.00 O ATOM 442 CB LEU A 30 1.401 -0.677 0.862 1.00 0.00 C ATOM 443 CG LEU A 30 0.684 -1.356 -0.306 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.690 -1.857 -1.331 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.186 -2.499 0.194 1.00 0.00 C ATOM 0 H LEU A 30 0.779 1.919 0.569 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.328 -0.363 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.212 -0.070 0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.857 -1.450 1.481 1.00 0.00 H new ATOM 0 HG LEU A 30 0.040 -0.621 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.162 -2.337 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.270 -1.017 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.360 -2.577 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.688 -2.970 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.437 -3.235 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.931 -2.112 0.889 1.00 0.00 H new ATOM 457 N SER A 31 0.774 0.417 4.163 1.00 0.00 N ATOM 458 CA SER A 31 1.433 0.792 5.409 1.00 0.00 C ATOM 459 C SER A 31 1.974 -0.439 6.130 1.00 0.00 C ATOM 460 O SER A 31 1.506 -1.555 5.910 1.00 0.00 O ATOM 461 CB SER A 31 0.461 1.545 6.319 1.00 0.00 C ATOM 462 OG SER A 31 -0.084 2.675 5.659 1.00 0.00 O ATOM 0 H SER A 31 -0.135 -0.030 4.285 1.00 0.00 H new ATOM 0 HA SER A 31 2.271 1.446 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.343 0.878 6.629 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.978 1.863 7.225 1.00 0.00 H new ATOM 0 HG SER A 31 -0.703 3.138 6.261 1.00 0.00 H new ATOM 468 N ASN A 32 2.961 -0.226 6.993 1.00 0.00 N ATOM 469 CA ASN A 32 3.566 -1.318 7.748 1.00 0.00 C ATOM 470 C ASN A 32 4.265 -2.301 6.814 1.00 0.00 C ATOM 471 O ASN A 32 3.899 -3.476 6.745 1.00 0.00 O ATOM 472 CB ASN A 32 2.503 -2.046 8.572 1.00 0.00 C ATOM 473 CG ASN A 32 3.090 -2.749 9.781 1.00 0.00 C ATOM 474 OD1 ASN A 32 3.430 -2.113 10.778 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.211 -4.069 9.696 1.00 0.00 N ATOM 0 H ASN A 32 3.359 0.693 7.187 1.00 0.00 H new ATOM 0 HA ASN A 32 4.310 -0.894 8.422 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.750 -1.331 8.901 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.995 -2.776 7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.599 -4.597 10.478 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.916 -4.555 8.849 1.00 0.00 H new ATOM 482 N LEU A 33 5.273 -1.816 6.099 1.00 0.00 N ATOM 483 CA LEU A 33 6.025 -2.651 5.170 1.00 0.00 C ATOM 484 C LEU A 33 7.284 -3.205 5.831 1.00 0.00 C ATOM 485 O LEU A 33 7.817 -2.633 6.782 1.00 0.00 O ATOM 486 CB LEU A 33 6.400 -1.851 3.921 1.00 0.00 C ATOM 487 CG LEU A 33 5.263 -1.566 2.939 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.721 -0.599 1.859 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.758 -2.861 2.319 1.00 0.00 C ATOM 0 H LEU A 33 5.589 -0.847 6.145 1.00 0.00 H new ATOM 0 HA LEU A 33 5.391 -3.489 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.826 -0.899 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.185 -2.391 3.391 1.00 0.00 H new ATOM 0 HG LEU A 33 4.442 -1.104 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.899 -0.408 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.034 0.338 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.559 -1.033 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.949 -2.640 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.572 -3.351 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.390 -3.521 3.104 1.00 0.00 H new ATOM 501 N PRO A 34 7.772 -4.342 5.315 1.00 0.00 N ATOM 502 CA PRO A 34 8.976 -4.995 5.838 1.00 0.00 C ATOM 503 C PRO A 34 10.243 -4.201 5.540 1.00 0.00 C ATOM 504 O PRO A 34 10.181 -3.020 5.197 1.00 0.00 O ATOM 505 CB PRO A 34 9.000 -6.336 5.100 1.00 0.00 C ATOM 506 CG PRO A 34 8.247 -6.089 3.840 1.00 0.00 C ATOM 507 CD PRO A 34 7.188 -5.078 4.181 1.00 0.00 C ATOM 0 HA PRO A 34 8.949 -5.090 6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.021 -6.656 4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.533 -7.122 5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.907 -5.714 3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.801 -7.010 3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.977 -4.418 3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.248 -5.557 4.454 1.00 0.00 H new ATOM 515 N HIS A 35 11.391 -4.857 5.672 1.00 0.00 N ATOM 516 CA HIS A 35 12.674 -4.211 5.416 1.00 0.00 C ATOM 517 C HIS A 35 13.815 -5.222 5.483 1.00 0.00 C ATOM 518 O HIS A 35 14.742 -5.076 6.280 1.00 0.00 O ATOM 519 CB HIS A 35 12.913 -3.087 6.425 1.00 0.00 C ATOM 520 CG HIS A 35 13.880 -2.048 5.945 1.00 0.00 C ATOM 521 ND1 HIS A 35 13.486 -0.818 5.463 1.00 0.00 N ATOM 522 CD2 HIS A 35 15.232 -2.061 5.877 1.00 0.00 C ATOM 523 CE1 HIS A 35 14.553 -0.120 5.118 1.00 0.00 C ATOM 524 NE2 HIS A 35 15.626 -0.852 5.360 1.00 0.00 N ATOM 0 H HIS A 35 11.460 -5.835 5.954 1.00 0.00 H new ATOM 0 HA HIS A 35 12.646 -3.788 4.412 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.961 -2.608 6.655 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.286 -3.517 7.354 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.880 -2.872 6.174 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.549 0.879 4.708 1.00 0.00 H new ATOM 0 HE2 HIS A 35 16.590 -0.565 5.190 1.00 0.00 H new ATOM 532 N SER A 36 13.739 -6.249 4.642 1.00 0.00 N ATOM 533 CA SER A 36 14.763 -7.287 4.610 1.00 0.00 C ATOM 534 C SER A 36 15.505 -7.277 3.276 1.00 0.00 C ATOM 535 O SER A 36 15.994 -8.309 2.817 1.00 0.00 O ATOM 536 CB SER A 36 14.132 -8.661 4.845 1.00 0.00 C ATOM 537 OG SER A 36 14.698 -9.294 5.980 1.00 0.00 O ATOM 0 H SER A 36 12.980 -6.384 3.974 1.00 0.00 H new ATOM 0 HA SER A 36 15.479 -7.082 5.406 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.056 -8.552 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.278 -9.287 3.965 1.00 0.00 H new ATOM 0 HG SER A 36 14.277 -10.169 6.110 1.00 0.00 H new ATOM 543 N GLY A 37 15.584 -6.102 2.659 1.00 0.00 N ATOM 544 CA GLY A 37 16.267 -5.977 1.385 1.00 0.00 C ATOM 545 C GLY A 37 15.491 -6.610 0.247 1.00 0.00 C ATOM 546 O GLY A 37 16.068 -7.277 -0.612 1.00 0.00 O ATOM 0 H GLY A 37 15.187 -5.234 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.431 -4.922 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.249 -6.444 1.455 1.00 0.00 H new ATOM 550 N TYR A 38 14.179 -6.401 0.241 1.00 0.00 N ATOM 551 CA TYR A 38 13.322 -6.960 -0.798 1.00 0.00 C ATOM 552 C TYR A 38 13.209 -6.005 -1.983 1.00 0.00 C ATOM 553 O TYR A 38 13.443 -4.804 -1.851 1.00 0.00 O ATOM 554 CB TYR A 38 11.931 -7.259 -0.236 1.00 0.00 C ATOM 555 CG TYR A 38 11.263 -6.059 0.397 1.00 0.00 C ATOM 556 CD1 TYR A 38 11.489 -5.736 1.729 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.405 -5.249 -0.337 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.880 -4.640 2.312 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.794 -4.151 0.236 1.00 0.00 C ATOM 560 CZ TYR A 38 10.034 -3.851 1.561 1.00 0.00 C ATOM 561 OH TYR A 38 9.425 -2.760 2.136 1.00 0.00 O ATOM 0 H TYR A 38 13.686 -5.849 0.943 1.00 0.00 H new ATOM 0 HA TYR A 38 13.774 -7.889 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.297 -7.636 -1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.011 -8.053 0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.152 -6.351 2.319 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.213 -5.482 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.066 -4.403 3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.132 -3.531 -0.350 1.00 0.00 H new ATOM 0 HH TYR A 38 9.631 -2.737 3.094 1.00 0.00 H new ATOM 571 N SER A 39 12.847 -6.549 -3.140 1.00 0.00 N ATOM 572 CA SER A 39 12.705 -5.747 -4.350 1.00 0.00 C ATOM 573 C SER A 39 11.309 -5.140 -4.439 1.00 0.00 C ATOM 574 O SER A 39 10.351 -5.673 -3.878 1.00 0.00 O ATOM 575 CB SER A 39 12.981 -6.601 -5.589 1.00 0.00 C ATOM 576 OG SER A 39 11.956 -7.559 -5.787 1.00 0.00 O ATOM 0 H SER A 39 12.647 -7.541 -3.265 1.00 0.00 H new ATOM 0 HA SER A 39 13.433 -4.937 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.058 -5.959 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.940 -7.107 -5.479 1.00 0.00 H new ATOM 0 HG SER A 39 12.155 -8.091 -6.586 1.00 0.00 H new ATOM 582 N ASP A 40 11.201 -4.019 -5.145 1.00 0.00 N ATOM 583 CA ASP A 40 9.922 -3.338 -5.309 1.00 0.00 C ATOM 584 C ASP A 40 8.846 -4.310 -5.785 1.00 0.00 C ATOM 585 O ASP A 40 7.720 -4.297 -5.286 1.00 0.00 O ATOM 586 CB ASP A 40 10.058 -2.183 -6.302 1.00 0.00 C ATOM 587 CG ASP A 40 10.125 -2.660 -7.740 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.118 -3.326 -8.098 1.00 0.00 O ATOM 589 OD2 ASP A 40 9.183 -2.366 -8.507 1.00 0.00 O ATOM 0 H ASP A 40 11.984 -3.563 -5.613 1.00 0.00 H new ATOM 0 HA ASP A 40 9.624 -2.940 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.211 -1.506 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.957 -1.612 -6.070 1.00 0.00 H new ATOM 594 N SER A 41 9.200 -5.150 -6.752 1.00 0.00 N ATOM 595 CA SER A 41 8.263 -6.124 -7.299 1.00 0.00 C ATOM 596 C SER A 41 7.499 -6.829 -6.182 1.00 0.00 C ATOM 597 O SER A 41 6.271 -6.906 -6.208 1.00 0.00 O ATOM 598 CB SER A 41 9.005 -7.154 -8.153 1.00 0.00 C ATOM 599 OG SER A 41 8.650 -7.035 -9.519 1.00 0.00 O ATOM 0 H SER A 41 10.129 -5.176 -7.173 1.00 0.00 H new ATOM 0 HA SER A 41 7.548 -5.591 -7.925 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.081 -7.017 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.773 -8.159 -7.800 1.00 0.00 H new ATOM 0 HG SER A 41 9.139 -7.703 -10.043 1.00 0.00 H new ATOM 605 N ALA A 42 8.236 -7.341 -5.202 1.00 0.00 N ATOM 606 CA ALA A 42 7.629 -8.038 -4.074 1.00 0.00 C ATOM 607 C ALA A 42 6.454 -7.248 -3.508 1.00 0.00 C ATOM 608 O ALA A 42 5.467 -7.825 -3.053 1.00 0.00 O ATOM 609 CB ALA A 42 8.667 -8.294 -2.991 1.00 0.00 C ATOM 0 H ALA A 42 9.254 -7.286 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 42 7.250 -8.995 -4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.200 -8.815 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.472 -8.907 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.074 -7.344 -2.645 1.00 0.00 H new ATOM 615 N VAL A 43 6.568 -5.924 -3.538 1.00 0.00 N ATOM 616 CA VAL A 43 5.515 -5.054 -3.028 1.00 0.00 C ATOM 617 C VAL A 43 4.390 -4.899 -4.045 1.00 0.00 C ATOM 618 O VAL A 43 3.254 -4.586 -3.687 1.00 0.00 O ATOM 619 CB VAL A 43 6.064 -3.660 -2.670 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.927 -2.658 -2.532 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.887 -3.724 -1.393 1.00 0.00 C ATOM 0 H VAL A 43 7.379 -5.430 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 43 5.124 -5.525 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 43 6.715 -3.326 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.334 -1.679 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.383 -2.593 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.249 -2.984 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.267 -2.731 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.261 -4.079 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.724 -4.409 -1.533 1.00 0.00 H new ATOM 631 N LEU A 44 4.713 -5.120 -5.314 1.00 0.00 N ATOM 632 CA LEU A 44 3.728 -5.007 -6.384 1.00 0.00 C ATOM 633 C LEU A 44 3.048 -6.347 -6.644 1.00 0.00 C ATOM 634 O LEU A 44 2.004 -6.411 -7.295 1.00 0.00 O ATOM 635 CB LEU A 44 4.394 -4.502 -7.666 1.00 0.00 C ATOM 636 CG LEU A 44 5.390 -3.355 -7.498 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.128 -3.093 -8.801 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.677 -2.096 -7.025 1.00 0.00 C ATOM 0 H LEU A 44 5.649 -5.378 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 44 2.968 -4.291 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.910 -5.339 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.613 -4.180 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 44 6.121 -3.642 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.833 -2.273 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.670 -3.991 -9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.411 -2.827 -9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.401 -1.289 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.924 -1.807 -7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.195 -2.289 -6.067 1.00 0.00 H new ATOM 650 N LYS A 45 3.646 -7.417 -6.132 1.00 0.00 N ATOM 651 CA LYS A 45 3.099 -8.757 -6.304 1.00 0.00 C ATOM 652 C LYS A 45 1.676 -8.838 -5.760 1.00 0.00 C ATOM 653 O LYS A 45 0.866 -9.639 -6.228 1.00 0.00 O ATOM 654 CB LYS A 45 3.985 -9.787 -5.600 1.00 0.00 C ATOM 655 CG LYS A 45 4.865 -10.581 -6.548 1.00 0.00 C ATOM 656 CD LYS A 45 6.071 -9.772 -6.999 1.00 0.00 C ATOM 657 CE LYS A 45 7.248 -10.671 -7.345 1.00 0.00 C ATOM 658 NZ LYS A 45 7.628 -11.550 -6.204 1.00 0.00 N ATOM 0 H LYS A 45 4.511 -7.382 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 45 3.074 -8.978 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.617 -9.275 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.352 -10.477 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.201 -11.493 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.283 -10.884 -7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.803 -9.171 -7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.361 -9.079 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.994 -11.286 -8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.102 -10.057 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.662 -11.546 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.184 -11.198 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.303 -12.520 -6.390 1.00 0.00 H new ATOM 672 N LEU A 46 1.377 -8.003 -4.771 1.00 0.00 N ATOM 673 CA LEU A 46 0.051 -7.978 -4.164 1.00 0.00 C ATOM 674 C LEU A 46 -0.918 -7.153 -5.005 1.00 0.00 C ATOM 675 O LEU A 46 -2.092 -7.018 -4.663 1.00 0.00 O ATOM 676 CB LEU A 46 0.128 -7.407 -2.747 1.00 0.00 C ATOM 677 CG LEU A 46 1.324 -6.501 -2.452 1.00 0.00 C ATOM 678 CD1 LEU A 46 1.030 -5.601 -1.263 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.573 -7.333 -2.198 1.00 0.00 C ATOM 0 H LEU A 46 2.035 -7.334 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.319 -9.002 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.785 -6.844 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.145 -8.238 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 46 1.503 -5.871 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.892 -4.963 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.162 -4.980 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.825 -6.213 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.414 -6.672 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.406 -7.988 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.794 -7.935 -3.079 1.00 0.00 H new ATOM 691 N ALA A 47 -0.417 -6.606 -6.109 1.00 0.00 N ATOM 692 CA ALA A 47 -1.239 -5.799 -7.001 1.00 0.00 C ATOM 693 C ALA A 47 -1.191 -6.335 -8.427 1.00 0.00 C ATOM 694 O ALA A 47 -2.059 -6.029 -9.244 1.00 0.00 O ATOM 695 CB ALA A 47 -0.787 -4.346 -6.966 1.00 0.00 C ATOM 0 H ALA A 47 0.554 -6.708 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.271 -5.856 -6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.410 -3.755 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.880 -3.960 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.253 -4.281 -7.285 1.00 0.00 H new ATOM 701 N GLU A 48 -0.171 -7.136 -8.719 1.00 0.00 N ATOM 702 CA GLU A 48 -0.011 -7.713 -10.048 1.00 0.00 C ATOM 703 C GLU A 48 -1.295 -8.404 -10.501 1.00 0.00 C ATOM 704 O GLU A 48 -1.905 -8.040 -11.506 1.00 0.00 O ATOM 705 CB GLU A 48 1.150 -8.712 -10.059 1.00 0.00 C ATOM 706 CG GLU A 48 2.373 -8.213 -10.809 1.00 0.00 C ATOM 707 CD GLU A 48 2.335 -8.562 -12.284 1.00 0.00 C ATOM 708 OE1 GLU A 48 2.767 -9.678 -12.642 1.00 0.00 O ATOM 709 OE2 GLU A 48 1.873 -7.718 -13.080 1.00 0.00 O ATOM 0 H GLU A 48 0.556 -7.400 -8.054 1.00 0.00 H new ATOM 0 HA GLU A 48 0.209 -6.903 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.432 -8.940 -9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.812 -9.644 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.447 -7.131 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.269 -8.642 -10.361 1.00 0.00 H new ATOM 716 N PRO A 49 -1.715 -9.427 -9.741 1.00 0.00 N ATOM 717 CA PRO A 49 -2.929 -10.190 -10.042 1.00 0.00 C ATOM 718 C PRO A 49 -4.198 -9.375 -9.819 1.00 0.00 C ATOM 719 O PRO A 49 -5.309 -9.881 -9.975 1.00 0.00 O ATOM 720 CB PRO A 49 -2.865 -11.361 -9.059 1.00 0.00 C ATOM 721 CG PRO A 49 -2.041 -10.858 -7.924 1.00 0.00 C ATOM 722 CD PRO A 49 -1.037 -9.915 -8.529 1.00 0.00 C ATOM 0 HA PRO A 49 -2.969 -10.495 -11.088 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.861 -11.653 -8.726 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.412 -12.239 -9.519 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.661 -10.348 -7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.544 -11.679 -7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.792 -9.099 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.102 -10.422 -8.768 1.00 0.00 H new ATOM 730 N TYR A 50 -4.025 -8.109 -9.453 1.00 0.00 N ATOM 731 CA TYR A 50 -5.157 -7.224 -9.206 1.00 0.00 C ATOM 732 C TYR A 50 -5.379 -6.282 -10.385 1.00 0.00 C ATOM 733 O TYR A 50 -6.516 -5.982 -10.748 1.00 0.00 O ATOM 734 CB TYR A 50 -4.928 -6.414 -7.929 1.00 0.00 C ATOM 735 CG TYR A 50 -5.097 -7.220 -6.661 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.020 -7.887 -6.090 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.333 -7.316 -6.035 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.170 -8.626 -4.932 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.492 -8.051 -4.876 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.408 -8.704 -4.329 1.00 0.00 C ATOM 741 OH TYR A 50 -5.561 -9.438 -3.176 1.00 0.00 O ATOM 0 H TYR A 50 -3.112 -7.673 -9.321 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.048 -7.840 -9.083 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.922 -5.994 -7.951 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.624 -5.575 -7.911 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.049 -7.827 -6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.185 -6.807 -6.462 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.323 -9.139 -4.502 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.460 -8.114 -4.401 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.722 -9.431 -2.670 1.00 0.00 H new ATOM 751 N GLY A 51 -4.284 -5.821 -10.981 1.00 0.00 N ATOM 752 CA GLY A 51 -4.380 -4.918 -12.114 1.00 0.00 C ATOM 753 C GLY A 51 -3.022 -4.548 -12.677 1.00 0.00 C ATOM 754 O GLY A 51 -1.991 -4.838 -12.071 1.00 0.00 O ATOM 0 H GLY A 51 -3.332 -6.056 -10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.980 -5.384 -12.896 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.903 -4.011 -11.809 1.00 0.00 H new ATOM 758 N LYS A 52 -3.021 -3.907 -13.841 1.00 0.00 N ATOM 759 CA LYS A 52 -1.781 -3.496 -14.487 1.00 0.00 C ATOM 760 C LYS A 52 -1.092 -2.392 -13.692 1.00 0.00 C ATOM 761 O LYS A 52 -1.667 -1.325 -13.469 1.00 0.00 O ATOM 762 CB LYS A 52 -2.059 -3.016 -15.913 1.00 0.00 C ATOM 763 CG LYS A 52 -1.653 -4.015 -16.982 1.00 0.00 C ATOM 764 CD LYS A 52 -0.574 -3.452 -17.893 1.00 0.00 C ATOM 765 CE LYS A 52 -0.580 -4.133 -19.252 1.00 0.00 C ATOM 766 NZ LYS A 52 0.541 -5.103 -19.391 1.00 0.00 N ATOM 0 H LYS A 52 -3.866 -3.661 -14.356 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.117 -4.360 -14.524 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.123 -2.801 -16.014 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.527 -2.080 -16.082 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.291 -4.928 -16.509 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.525 -4.288 -17.576 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.728 -2.381 -18.021 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.402 -3.580 -17.425 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.528 -4.651 -19.394 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.508 -3.379 -20.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.502 -5.546 -20.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.447 -4.605 -19.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.458 -5.837 -18.659 1.00 0.00 H new ATOM 780 N ILE A 53 0.140 -2.651 -13.270 1.00 0.00 N ATOM 781 CA ILE A 53 0.905 -1.678 -12.503 1.00 0.00 C ATOM 782 C ILE A 53 1.360 -0.519 -13.383 1.00 0.00 C ATOM 783 O ILE A 53 2.368 -0.614 -14.084 1.00 0.00 O ATOM 784 CB ILE A 53 2.140 -2.324 -11.846 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.710 -3.393 -10.840 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.994 -1.264 -11.167 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.715 -4.511 -10.678 1.00 0.00 C ATOM 0 H ILE A 53 0.630 -3.528 -13.447 1.00 0.00 H new ATOM 0 HA ILE A 53 0.243 -1.301 -11.723 1.00 0.00 H new ATOM 0 HB ILE A 53 2.737 -2.802 -12.622 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.544 -2.922 -9.871 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.757 -3.816 -11.157 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.863 -1.736 -10.708 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.326 -0.535 -11.907 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.406 -0.760 -10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.343 -5.232 -9.950 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.864 -5.008 -11.637 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.663 -4.100 -10.331 1.00 0.00 H new ATOM 799 N LYS A 54 0.611 0.578 -13.341 1.00 0.00 N ATOM 800 CA LYS A 54 0.938 1.758 -14.132 1.00 0.00 C ATOM 801 C LYS A 54 1.997 2.605 -13.435 1.00 0.00 C ATOM 802 O LYS A 54 2.714 3.371 -14.077 1.00 0.00 O ATOM 803 CB LYS A 54 -0.319 2.597 -14.376 1.00 0.00 C ATOM 804 CG LYS A 54 -0.653 2.779 -15.848 1.00 0.00 C ATOM 805 CD LYS A 54 -1.534 1.654 -16.363 1.00 0.00 C ATOM 806 CE LYS A 54 -1.575 1.631 -17.884 1.00 0.00 C ATOM 807 NZ LYS A 54 -0.352 1.007 -18.462 1.00 0.00 N ATOM 0 H LYS A 54 -0.227 0.674 -12.767 1.00 0.00 H new ATOM 0 HA LYS A 54 1.338 1.423 -15.089 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.164 2.124 -13.876 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.186 3.577 -13.918 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.159 3.734 -15.992 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.268 2.816 -16.429 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.160 0.699 -15.993 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.545 1.774 -15.972 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.455 1.080 -18.215 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.676 2.649 -18.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.418 1.010 -19.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.486 1.547 -18.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.269 0.027 -18.123 1.00 0.00 H new ATOM 821 N ASN A 55 2.093 2.458 -12.117 1.00 0.00 N ATOM 822 CA ASN A 55 3.067 3.208 -11.334 1.00 0.00 C ATOM 823 C ASN A 55 3.090 2.724 -9.887 1.00 0.00 C ATOM 824 O ASN A 55 2.092 2.218 -9.375 1.00 0.00 O ATOM 825 CB ASN A 55 2.746 4.703 -11.378 1.00 0.00 C ATOM 826 CG ASN A 55 3.993 5.561 -11.468 1.00 0.00 C ATOM 827 OD1 ASN A 55 4.320 6.090 -12.531 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.697 5.702 -10.351 1.00 0.00 N ATOM 0 H ASN A 55 1.508 1.826 -11.570 1.00 0.00 H new ATOM 0 HA ASN A 55 4.052 3.042 -11.770 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.104 4.909 -12.235 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.184 4.977 -10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.546 6.267 -10.351 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.389 5.245 -9.493 1.00 0.00 H new ATOM 835 N TYR A 56 4.237 2.884 -9.234 1.00 0.00 N ATOM 836 CA TYR A 56 4.391 2.461 -7.846 1.00 0.00 C ATOM 837 C TYR A 56 5.438 3.310 -7.133 1.00 0.00 C ATOM 838 O TYR A 56 6.337 3.867 -7.764 1.00 0.00 O ATOM 839 CB TYR A 56 4.784 0.985 -7.782 1.00 0.00 C ATOM 840 CG TYR A 56 6.251 0.736 -8.052 1.00 0.00 C ATOM 841 CD1 TYR A 56 7.192 0.838 -7.035 1.00 0.00 C ATOM 842 CD2 TYR A 56 6.696 0.399 -9.325 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.533 0.613 -7.277 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.035 0.170 -9.576 1.00 0.00 C ATOM 845 CZ TYR A 56 8.950 0.279 -8.549 1.00 0.00 C ATOM 846 OH TYR A 56 10.285 0.051 -8.794 1.00 0.00 O ATOM 0 H TYR A 56 5.072 3.303 -9.643 1.00 0.00 H new ATOM 0 HA TYR A 56 3.434 2.597 -7.342 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.533 0.593 -6.796 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.190 0.428 -8.507 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.869 1.098 -6.038 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.983 0.315 -10.132 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.251 0.698 -6.475 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.364 -0.093 -10.571 1.00 0.00 H new ATOM 0 HH TYR A 56 10.379 -0.678 -9.442 1.00 0.00 H new ATOM 856 N ILE A 57 5.316 3.402 -5.813 1.00 0.00 N ATOM 857 CA ILE A 57 6.252 4.181 -5.011 1.00 0.00 C ATOM 858 C ILE A 57 6.711 3.397 -3.786 1.00 0.00 C ATOM 859 O ILE A 57 5.895 2.974 -2.965 1.00 0.00 O ATOM 860 CB ILE A 57 5.630 5.512 -4.552 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.592 6.509 -5.712 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.410 6.085 -3.380 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.917 7.191 -5.966 1.00 0.00 C ATOM 0 H ILE A 57 4.578 2.947 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 57 7.111 4.393 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 57 4.607 5.324 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.281 5.988 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.836 7.267 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.958 7.026 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.390 5.379 -2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.443 6.261 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.816 7.883 -6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.220 7.740 -5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.672 6.442 -6.205 1.00 0.00 H new ATOM 875 N LEU A 58 8.020 3.208 -3.667 1.00 0.00 N ATOM 876 CA LEU A 58 8.589 2.478 -2.539 1.00 0.00 C ATOM 877 C LEU A 58 9.348 3.418 -1.609 1.00 0.00 C ATOM 878 O LEU A 58 10.502 3.762 -1.866 1.00 0.00 O ATOM 879 CB LEU A 58 9.522 1.374 -3.041 1.00 0.00 C ATOM 880 CG LEU A 58 9.094 -0.060 -2.725 1.00 0.00 C ATOM 881 CD1 LEU A 58 8.999 -0.271 -1.222 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.767 -0.381 -3.396 1.00 0.00 C ATOM 0 H LEU A 58 8.708 3.550 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 58 7.770 2.027 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.621 1.473 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.511 1.539 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 58 9.851 -0.739 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.693 -1.297 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.971 -0.084 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.264 0.417 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.478 -1.405 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.001 0.305 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.870 -0.273 -4.476 1.00 0.00 H new ATOM 894 N MET A 59 8.694 3.826 -0.526 1.00 0.00 N ATOM 895 CA MET A 59 9.310 4.723 0.445 1.00 0.00 C ATOM 896 C MET A 59 9.870 3.940 1.628 1.00 0.00 C ATOM 897 O MET A 59 9.160 3.152 2.255 1.00 0.00 O ATOM 898 CB MET A 59 8.292 5.754 0.935 1.00 0.00 C ATOM 899 CG MET A 59 7.762 6.657 -0.167 1.00 0.00 C ATOM 900 SD MET A 59 6.623 7.911 0.450 1.00 0.00 S ATOM 901 CE MET A 59 5.827 8.422 -1.071 1.00 0.00 C ATOM 0 H MET A 59 7.739 3.550 -0.299 1.00 0.00 H new ATOM 0 HA MET A 59 10.133 5.242 -0.046 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.455 5.233 1.400 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.754 6.370 1.707 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.599 7.146 -0.665 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.256 6.049 -0.917 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.171 9.269 -0.871 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.585 8.714 -1.798 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.241 7.595 -1.471 1.00 0.00 H new ATOM 911 N ARG A 60 11.145 4.163 1.929 1.00 0.00 N ATOM 912 CA ARG A 60 11.799 3.478 3.038 1.00 0.00 C ATOM 913 C ARG A 60 11.718 4.309 4.315 1.00 0.00 C ATOM 914 O ARG A 60 11.994 3.814 5.407 1.00 0.00 O ATOM 915 CB ARG A 60 13.262 3.191 2.695 1.00 0.00 C ATOM 916 CG ARG A 60 14.165 4.408 2.812 1.00 0.00 C ATOM 917 CD ARG A 60 15.630 4.033 2.653 1.00 0.00 C ATOM 918 NE ARG A 60 16.458 5.188 2.314 1.00 0.00 N ATOM 919 CZ ARG A 60 17.678 5.091 1.798 1.00 0.00 C ATOM 920 NH1 ARG A 60 18.210 3.901 1.563 1.00 0.00 N ATOM 921 NH2 ARG A 60 18.369 6.189 1.516 1.00 0.00 N ATOM 0 H ARG A 60 11.746 4.812 1.421 1.00 0.00 H new ATOM 0 HA ARG A 60 11.280 2.534 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.634 2.408 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.319 2.804 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.891 5.140 2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.013 4.883 3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.992 3.587 3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.728 3.276 1.875 1.00 0.00 H new ATOM 0 HE ARG A 60 16.078 6.120 2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.682 3.055 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.147 3.831 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.963 7.107 1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 60 19.306 6.114 1.120 1.00 0.00 H new ATOM 935 N MET A 61 11.339 5.574 4.169 1.00 0.00 N ATOM 936 CA MET A 61 11.221 6.473 5.310 1.00 0.00 C ATOM 937 C MET A 61 10.292 5.889 6.369 1.00 0.00 C ATOM 938 O MET A 61 10.744 5.308 7.356 1.00 0.00 O ATOM 939 CB MET A 61 10.704 7.841 4.859 1.00 0.00 C ATOM 940 CG MET A 61 11.701 8.967 5.070 1.00 0.00 C ATOM 941 SD MET A 61 12.674 9.319 3.593 1.00 0.00 S ATOM 942 CE MET A 61 13.976 10.339 4.281 1.00 0.00 C ATOM 0 H MET A 61 11.108 6.000 3.271 1.00 0.00 H new ATOM 0 HA MET A 61 12.212 6.594 5.748 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.443 7.791 3.802 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.788 8.071 5.403 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.167 9.868 5.372 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.372 8.705 5.888 1.00 0.00 H new ATOM 0 HE1 MET A 61 14.661 10.638 3.488 1.00 0.00 H new ATOM 0 HE2 MET A 61 13.539 11.227 4.737 1.00 0.00 H new ATOM 0 HE3 MET A 61 14.520 9.773 5.037 1.00 0.00 H new ATOM 952 N LYS A 62 8.989 6.045 6.158 1.00 0.00 N ATOM 953 CA LYS A 62 7.995 5.532 7.093 1.00 0.00 C ATOM 954 C LYS A 62 7.474 4.171 6.641 1.00 0.00 C ATOM 955 O LYS A 62 6.323 3.819 6.900 1.00 0.00 O ATOM 956 CB LYS A 62 6.831 6.517 7.223 1.00 0.00 C ATOM 957 CG LYS A 62 6.792 7.238 8.560 1.00 0.00 C ATOM 958 CD LYS A 62 6.248 8.651 8.416 1.00 0.00 C ATOM 959 CE LYS A 62 7.367 9.682 8.426 1.00 0.00 C ATOM 960 NZ LYS A 62 6.869 11.042 8.082 1.00 0.00 N ATOM 0 H LYS A 62 8.597 6.523 5.347 1.00 0.00 H new ATOM 0 HA LYS A 62 8.474 5.414 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.899 7.255 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.893 5.979 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.171 6.677 9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.795 7.275 8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.685 8.732 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.553 8.859 9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.832 9.704 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.139 9.387 7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.661 11.716 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.448 11.027 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.150 11.334 8.775 1.00 0.00 H new ATOM 974 N SER A 63 8.329 3.411 5.965 1.00 0.00 N ATOM 975 CA SER A 63 7.954 2.088 5.475 1.00 0.00 C ATOM 976 C SER A 63 6.585 2.126 4.804 1.00 0.00 C ATOM 977 O SER A 63 5.691 1.355 5.151 1.00 0.00 O ATOM 978 CB SER A 63 7.944 1.079 6.625 1.00 0.00 C ATOM 979 OG SER A 63 9.203 0.443 6.757 1.00 0.00 O ATOM 0 H SER A 63 9.286 3.687 5.744 1.00 0.00 H new ATOM 0 HA SER A 63 8.693 1.778 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.690 1.586 7.556 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.172 0.330 6.449 1.00 0.00 H new ATOM 0 HG SER A 63 9.171 -0.196 7.500 1.00 0.00 H new ATOM 985 N GLN A 64 6.429 3.030 3.842 1.00 0.00 N ATOM 986 CA GLN A 64 5.168 3.170 3.123 1.00 0.00 C ATOM 987 C GLN A 64 5.378 3.015 1.620 1.00 0.00 C ATOM 988 O GLN A 64 6.492 3.175 1.120 1.00 0.00 O ATOM 989 CB GLN A 64 4.532 4.528 3.425 1.00 0.00 C ATOM 990 CG GLN A 64 3.897 4.610 4.803 1.00 0.00 C ATOM 991 CD GLN A 64 2.747 5.596 4.858 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.797 6.661 4.244 1.00 0.00 O ATOM 993 NE2 GLN A 64 1.702 5.245 5.598 1.00 0.00 N ATOM 0 H GLN A 64 7.159 3.676 3.543 1.00 0.00 H new ATOM 0 HA GLN A 64 4.497 2.380 3.460 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.293 5.303 3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.773 4.740 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.538 3.622 5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.654 4.900 5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.703 4.352 6.091 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.898 5.869 5.674 1.00 0.00 H new ATOM 1002 N ALA A 65 4.302 2.704 0.905 1.00 0.00 N ATOM 1003 CA ALA A 65 4.370 2.530 -0.540 1.00 0.00 C ATOM 1004 C ALA A 65 3.030 2.852 -1.194 1.00 0.00 C ATOM 1005 O ALA A 65 1.972 2.671 -0.590 1.00 0.00 O ATOM 1006 CB ALA A 65 4.798 1.110 -0.881 1.00 0.00 C ATOM 0 H ALA A 65 3.373 2.567 1.303 1.00 0.00 H new ATOM 0 HA ALA A 65 5.113 3.225 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.845 0.994 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.781 0.913 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.076 0.404 -0.471 1.00 0.00 H new ATOM 1012 N PHE A 66 3.082 3.331 -2.433 1.00 0.00 N ATOM 1013 CA PHE A 66 1.872 3.680 -3.169 1.00 0.00 C ATOM 1014 C PHE A 66 1.865 3.022 -4.545 1.00 0.00 C ATOM 1015 O PHE A 66 2.640 3.392 -5.427 1.00 0.00 O ATOM 1016 CB PHE A 66 1.762 5.200 -3.317 1.00 0.00 C ATOM 1017 CG PHE A 66 1.669 5.925 -2.005 1.00 0.00 C ATOM 1018 CD1 PHE A 66 0.444 6.111 -1.386 1.00 0.00 C ATOM 1019 CD2 PHE A 66 2.808 6.421 -1.391 1.00 0.00 C ATOM 1020 CE1 PHE A 66 0.356 6.777 -0.178 1.00 0.00 C ATOM 1021 CE2 PHE A 66 2.725 7.088 -0.183 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.498 7.267 0.424 1.00 0.00 C ATOM 0 H PHE A 66 3.949 3.486 -2.948 1.00 0.00 H new ATOM 0 HA PHE A 66 1.014 3.313 -2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.630 5.567 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.883 5.436 -3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.453 5.731 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.771 6.285 -1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.605 6.914 0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.620 7.469 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.432 7.789 1.367 1.00 0.00 H new ATOM 1032 N ILE A 67 0.982 2.044 -4.721 1.00 0.00 N ATOM 1033 CA ILE A 67 0.871 1.335 -5.989 1.00 0.00 C ATOM 1034 C ILE A 67 -0.357 1.791 -6.770 1.00 0.00 C ATOM 1035 O ILE A 67 -1.489 1.492 -6.392 1.00 0.00 O ATOM 1036 CB ILE A 67 0.795 -0.189 -5.778 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.089 -0.703 -5.142 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.530 -0.895 -7.099 1.00 0.00 C ATOM 1039 CD1 ILE A 67 2.047 -2.174 -4.793 1.00 0.00 C ATOM 0 H ILE A 67 0.334 1.725 -4.001 1.00 0.00 H new ATOM 0 HA ILE A 67 1.769 1.570 -6.560 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.031 -0.406 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.917 -0.524 -5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.293 -0.129 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.479 -1.971 -6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.416 -0.547 -7.514 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.336 -0.674 -7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.997 -2.469 -4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.240 -2.357 -4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.874 -2.758 -5.697 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.124 2.513 -7.861 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.212 3.009 -8.695 1.00 0.00 C ATOM 1053 C GLU A 68 -1.651 1.951 -9.703 1.00 0.00 C ATOM 1054 O GLU A 68 -0.957 1.690 -10.686 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.784 4.281 -9.429 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.867 4.864 -10.321 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.909 6.378 -10.275 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -2.543 6.926 -9.349 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -1.307 7.016 -11.164 1.00 0.00 O ATOM 0 H GLU A 68 0.808 2.767 -8.188 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.056 3.240 -8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.487 5.031 -8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.095 4.062 -10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.700 4.540 -11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.836 4.468 -10.016 1.00 0.00 H new ATOM 1066 N MET A 69 -2.806 1.344 -9.450 1.00 0.00 N ATOM 1067 CA MET A 69 -3.338 0.314 -10.336 1.00 0.00 C ATOM 1068 C MET A 69 -3.710 0.903 -11.693 1.00 0.00 C ATOM 1069 O MET A 69 -3.759 2.121 -11.857 1.00 0.00 O ATOM 1070 CB MET A 69 -4.562 -0.351 -9.703 1.00 0.00 C ATOM 1071 CG MET A 69 -4.296 -0.922 -8.320 1.00 0.00 C ATOM 1072 SD MET A 69 -2.777 -1.891 -8.248 1.00 0.00 S ATOM 1073 CE MET A 69 -3.200 -3.263 -9.318 1.00 0.00 C ATOM 0 H MET A 69 -3.391 1.547 -8.640 1.00 0.00 H new ATOM 0 HA MET A 69 -2.562 -0.437 -10.486 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.368 0.379 -9.637 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.909 -1.151 -10.357 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.236 -0.106 -7.600 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.137 -1.549 -8.022 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.304 -3.616 -9.828 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.621 -4.073 -8.722 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.933 -2.936 -10.056 1.00 0.00 H new ATOM 1083 N GLU A 70 -3.969 0.030 -12.661 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.334 0.467 -14.004 1.00 0.00 C ATOM 1085 C GLU A 70 -5.732 1.078 -14.016 1.00 0.00 C ATOM 1086 O GLU A 70 -6.028 1.967 -14.816 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.274 -0.710 -14.981 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.577 -0.324 -16.418 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.200 -1.459 -17.208 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -6.442 -1.582 -17.192 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.444 -2.225 -17.843 1.00 0.00 O ATOM 0 H GLU A 70 -3.933 -0.982 -12.541 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.620 1.228 -14.317 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.282 -1.159 -14.936 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.984 -1.473 -14.661 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.252 0.532 -16.426 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.656 -0.008 -16.908 1.00 0.00 H new ATOM 1098 N THR A 71 -6.590 0.596 -13.121 1.00 0.00 N ATOM 1099 CA THR A 71 -7.957 1.093 -13.029 1.00 0.00 C ATOM 1100 C THR A 71 -8.433 1.124 -11.581 1.00 0.00 C ATOM 1101 O THR A 71 -7.677 0.814 -10.662 1.00 0.00 O ATOM 1102 CB THR A 71 -8.927 0.230 -13.859 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.306 -0.933 -13.115 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.287 -0.189 -15.174 1.00 0.00 C ATOM 0 H THR A 71 -6.362 -0.138 -12.450 1.00 0.00 H new ATOM 0 HA THR A 71 -7.953 2.107 -13.430 1.00 0.00 H new ATOM 0 HB THR A 71 -9.813 0.825 -14.078 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.551 -1.557 -13.076 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.990 -0.797 -15.743 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.025 0.698 -15.750 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.386 -0.769 -14.972 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.694 1.500 -11.387 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.270 1.571 -10.049 1.00 0.00 C ATOM 1114 C ARG A 72 -10.807 0.210 -9.615 1.00 0.00 C ATOM 1115 O ARG A 72 -10.739 -0.147 -8.439 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.393 2.610 -10.011 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.667 3.159 -8.620 1.00 0.00 C ATOM 1118 CD ARG A 72 -11.895 4.662 -8.649 1.00 0.00 C ATOM 1119 NE ARG A 72 -12.908 5.082 -7.685 1.00 0.00 N ATOM 1120 CZ ARG A 72 -13.000 6.316 -7.206 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -12.145 7.250 -7.599 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -13.951 6.621 -6.331 1.00 0.00 N ATOM 0 H ARG A 72 -10.334 1.759 -12.137 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.483 1.869 -9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.135 3.436 -10.674 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.306 2.160 -10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.543 2.665 -8.199 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.826 2.930 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.957 5.175 -8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.202 4.963 -9.651 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.582 4.388 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.413 7.021 -8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.219 8.197 -7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.612 5.906 -6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.021 7.570 -5.964 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.339 -0.543 -10.572 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.888 -1.863 -10.287 1.00 0.00 C ATOM 1138 C GLU A 73 -10.862 -2.736 -9.570 1.00 0.00 C ATOM 1139 O GLU A 73 -11.209 -3.526 -8.692 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.337 -2.544 -11.582 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.447 -1.801 -12.307 1.00 0.00 C ATOM 1142 CD GLU A 73 -13.450 -2.070 -13.799 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -12.419 -1.802 -14.452 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -14.483 -2.548 -14.314 1.00 0.00 O ATOM 0 H GLU A 73 -11.401 -0.262 -11.551 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.751 -1.736 -9.634 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.480 -2.640 -12.248 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.677 -3.554 -11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.409 -2.093 -11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.336 -0.730 -12.135 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.598 -2.588 -9.952 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.520 -3.362 -9.347 1.00 0.00 C ATOM 1153 C ASP A 74 -8.160 -2.806 -7.972 1.00 0.00 C ATOM 1154 O ASP A 74 -8.329 -3.479 -6.956 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.288 -3.355 -10.253 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.594 -3.860 -11.649 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.416 -4.792 -11.776 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -7.012 -3.323 -12.615 1.00 0.00 O ATOM 0 H ASP A 74 -9.295 -1.939 -10.678 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.865 -4.389 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.892 -2.341 -10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.510 -3.975 -9.808 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.658 -1.575 -7.950 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.274 -0.930 -6.701 1.00 0.00 C ATOM 1165 C ALA A 75 -8.323 -1.160 -5.618 1.00 0.00 C ATOM 1166 O ALA A 75 -7.990 -1.379 -4.454 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.058 0.561 -6.921 1.00 0.00 C ATOM 0 H ALA A 75 -7.508 -1.005 -8.783 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.338 -1.376 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.772 1.030 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.267 0.709 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.981 1.012 -7.285 1.00 0.00 H new ATOM 1173 N MET A 76 -9.592 -1.109 -6.010 1.00 0.00 N ATOM 1174 CA MET A 76 -10.690 -1.312 -5.071 1.00 0.00 C ATOM 1175 C MET A 76 -10.775 -2.774 -4.643 1.00 0.00 C ATOM 1176 O MET A 76 -11.126 -3.077 -3.503 1.00 0.00 O ATOM 1177 CB MET A 76 -12.014 -0.876 -5.700 1.00 0.00 C ATOM 1178 CG MET A 76 -12.004 0.558 -6.205 1.00 0.00 C ATOM 1179 SD MET A 76 -12.873 1.690 -5.103 1.00 0.00 S ATOM 1180 CE MET A 76 -11.652 2.987 -4.917 1.00 0.00 C ATOM 0 H MET A 76 -9.885 -0.929 -6.970 1.00 0.00 H new ATOM 0 HA MET A 76 -10.497 -0.703 -4.188 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.250 -1.543 -6.529 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.811 -0.988 -4.964 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.973 0.891 -6.321 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.464 0.594 -7.193 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.342 3.048 -3.874 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.786 2.763 -5.540 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.084 3.940 -5.224 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.450 -3.676 -5.564 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.489 -5.105 -5.281 1.00 0.00 C ATOM 1192 C ALA A 77 -9.373 -5.504 -4.321 1.00 0.00 C ATOM 1193 O ALA A 77 -9.519 -6.447 -3.543 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.386 -5.903 -6.573 1.00 0.00 C ATOM 0 H ALA A 77 -10.157 -3.442 -6.512 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.443 -5.330 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.416 -6.969 -6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.220 -5.647 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.447 -5.665 -7.074 1.00 0.00 H new ATOM 1200 N MET A 78 -8.259 -4.782 -4.383 1.00 0.00 N ATOM 1201 CA MET A 78 -7.119 -5.061 -3.518 1.00 0.00 C ATOM 1202 C MET A 78 -7.416 -4.653 -2.077 1.00 0.00 C ATOM 1203 O MET A 78 -7.294 -5.460 -1.155 1.00 0.00 O ATOM 1204 CB MET A 78 -5.876 -4.326 -4.022 1.00 0.00 C ATOM 1205 CG MET A 78 -4.570 -4.932 -3.534 1.00 0.00 C ATOM 1206 SD MET A 78 -3.125 -4.020 -4.105 1.00 0.00 S ATOM 1207 CE MET A 78 -1.917 -4.492 -2.870 1.00 0.00 C ATOM 0 H MET A 78 -8.122 -4.000 -5.023 1.00 0.00 H new ATOM 0 HA MET A 78 -6.932 -6.135 -3.542 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.882 -4.326 -5.112 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.925 -3.285 -3.703 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.571 -4.958 -2.444 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.502 -5.964 -3.877 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.665 -3.626 -2.258 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.332 -5.276 -2.236 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.018 -4.862 -3.363 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.804 -3.396 -1.891 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.120 -2.882 -0.564 1.00 0.00 C ATOM 1219 C VAL A 79 -9.238 -3.687 0.086 1.00 0.00 C ATOM 1220 O VAL A 79 -9.216 -3.939 1.291 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.535 -1.400 -0.621 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.482 -0.577 -1.346 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.893 -1.253 -1.289 1.00 0.00 C ATOM 0 H VAL A 79 -7.907 -2.714 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.214 -2.976 0.035 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.615 -1.024 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.793 0.467 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.531 -0.657 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.366 -0.950 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.171 -0.199 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.843 -1.646 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.640 -1.808 -0.721 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.215 -4.091 -0.719 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.343 -4.870 -0.222 1.00 0.00 C ATOM 1235 C ASP A 80 -10.889 -6.255 0.229 1.00 0.00 C ATOM 1236 O ASP A 80 -11.283 -6.732 1.294 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.417 -4.998 -1.303 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.821 -4.939 -0.734 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.012 -4.274 0.305 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.728 -5.560 -1.327 1.00 0.00 O ATOM 0 H ASP A 80 -10.248 -3.892 -1.719 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.764 -4.348 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.290 -4.199 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.283 -5.940 -1.835 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.062 -6.897 -0.589 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.555 -8.227 -0.274 1.00 0.00 C ATOM 1247 C HIS A 81 -8.834 -8.231 1.070 1.00 0.00 C ATOM 1248 O HIS A 81 -8.582 -9.289 1.648 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.608 -8.709 -1.374 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.946 -10.069 -1.903 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -8.428 -11.232 -1.375 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -9.758 -10.448 -2.918 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -8.905 -12.267 -2.042 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -9.716 -11.818 -2.984 1.00 0.00 N ATOM 0 H HIS A 81 -9.729 -6.518 -1.475 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.405 -8.906 -0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.626 -7.994 -2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.590 -8.722 -0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.332 -9.794 -3.557 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -8.672 -13.304 -1.850 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -10.227 -12.396 -3.651 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.504 -7.042 1.562 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.811 -6.907 2.839 1.00 0.00 C ATOM 1264 C CYS A 82 -8.803 -6.883 3.996 1.00 0.00 C ATOM 1265 O CYS A 82 -8.477 -7.280 5.116 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.963 -5.635 2.850 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.462 -5.098 4.503 1.00 0.00 S ATOM 0 H CYS A 82 -8.705 -6.157 1.096 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.158 -7.771 2.964 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.070 -5.801 2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.525 -4.832 2.373 1.00 0.00 H new ATOM 0 HG CYS A 82 -7.021 -5.860 5.395 1.00 0.00 H new ATOM 1273 N LEU A 83 -10.015 -6.415 3.720 1.00 0.00 N ATOM 1274 CA LEU A 83 -11.056 -6.336 4.739 1.00 0.00 C ATOM 1275 C LEU A 83 -11.551 -7.728 5.120 1.00 0.00 C ATOM 1276 O LEU A 83 -11.650 -8.063 6.301 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.225 -5.486 4.238 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.877 -4.067 3.786 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -13.075 -3.412 3.115 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.401 -3.232 4.966 1.00 0.00 C ATOM 0 H LEU A 83 -10.301 -6.084 2.799 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.628 -5.867 5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.696 -6.007 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.968 -5.421 5.033 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.067 -4.126 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.809 -2.403 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.370 -3.998 2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.906 -3.365 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.158 -2.226 4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.190 -3.180 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.514 -3.691 5.402 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.859 -8.536 4.111 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.341 -9.895 4.338 1.00 0.00 C ATOM 1294 C LYS A 84 -11.203 -10.808 4.782 1.00 0.00 C ATOM 1295 O LYS A 84 -11.347 -11.581 5.730 1.00 0.00 O ATOM 1296 CB LYS A 84 -12.987 -10.447 3.066 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.319 -9.800 2.730 1.00 0.00 C ATOM 1298 CD LYS A 84 -14.176 -8.777 1.615 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.409 -9.404 0.249 1.00 0.00 C ATOM 1300 NZ LYS A 84 -15.421 -8.653 -0.542 1.00 0.00 N ATOM 0 H LYS A 84 -11.784 -8.274 3.128 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.087 -9.862 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.302 -10.305 2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.133 -11.521 3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.033 -10.568 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.724 -9.317 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.888 -7.966 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.179 -8.337 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.469 -9.435 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.739 -10.435 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.588 -9.141 -1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -16.311 -8.601 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.072 -7.691 -0.728 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.072 -10.714 4.092 1.00 0.00 N ATOM 1315 CA LYS A 85 -8.908 -11.531 4.416 1.00 0.00 C ATOM 1316 C LYS A 85 -7.697 -10.655 4.721 1.00 0.00 C ATOM 1317 O LYS A 85 -7.503 -9.609 4.101 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.585 -12.478 3.258 1.00 0.00 C ATOM 1319 CG LYS A 85 -7.410 -13.400 3.535 1.00 0.00 C ATOM 1320 CD LYS A 85 -7.779 -14.857 3.310 1.00 0.00 C ATOM 1321 CE LYS A 85 -8.630 -15.397 4.448 1.00 0.00 C ATOM 1322 NZ LYS A 85 -8.896 -16.856 4.297 1.00 0.00 N ATOM 0 H LYS A 85 -9.936 -10.080 3.305 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.144 -12.118 5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.465 -13.082 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.371 -11.888 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.575 -13.131 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.074 -13.263 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.322 -14.955 2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.871 -15.454 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.125 -15.216 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.576 -14.857 4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.479 -17.187 5.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.400 -17.026 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.994 -17.374 4.290 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.885 -11.088 5.680 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.692 -10.345 6.065 1.00 0.00 C ATOM 1338 C ALA A 86 -4.589 -10.500 5.024 1.00 0.00 C ATOM 1339 O ALA A 86 -4.024 -11.583 4.860 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.202 -10.805 7.430 1.00 0.00 C ATOM 0 H ALA A 86 -7.032 -11.950 6.205 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.954 -9.289 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.310 -10.242 7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.982 -10.636 8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.962 -11.868 7.391 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.286 -9.412 4.323 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.250 -9.429 3.297 1.00 0.00 C ATOM 1348 C LEU A 87 -1.862 -9.492 3.925 1.00 0.00 C ATOM 1349 O LEU A 87 -1.385 -8.513 4.498 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.365 -8.187 2.410 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.733 -8.294 1.022 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.557 -7.528 -0.001 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.301 -7.782 1.046 1.00 0.00 C ATOM 0 H LEU A 87 -4.743 -8.508 4.447 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.392 -10.320 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.422 -7.948 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.906 -7.348 2.933 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.717 -9.345 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.091 -7.616 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.565 -7.941 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.606 -6.477 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.868 -7.866 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.293 -6.738 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.714 -8.375 1.748 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.220 -10.648 3.813 1.00 0.00 N ATOM 1366 CA TRP A 88 0.116 -10.838 4.369 1.00 0.00 C ATOM 1367 C TRP A 88 1.177 -10.753 3.277 1.00 0.00 C ATOM 1368 O TRP A 88 1.016 -11.318 2.195 1.00 0.00 O ATOM 1369 CB TRP A 88 0.207 -12.188 5.081 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.379 -12.173 6.460 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.678 -12.424 6.800 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.311 -11.891 7.682 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -1.836 -12.314 8.161 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.631 -11.989 8.724 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.633 -11.567 7.997 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.291 -11.774 10.057 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.969 -11.354 9.320 1.00 0.00 C ATOM 1378 CH2 TRP A 88 1.011 -11.458 10.337 1.00 0.00 C ATOM 0 H TRP A 88 -1.602 -11.469 3.343 1.00 0.00 H new ATOM 0 HA TRP A 88 0.299 -10.042 5.090 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.307 -12.941 4.484 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.253 -12.489 5.142 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.464 -12.672 6.103 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.710 -12.452 8.669 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.379 -11.485 7.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.028 -11.854 10.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.988 -11.103 9.575 1.00 0.00 H new ATOM 0 HH2 TRP A 88 1.306 -11.286 11.362 1.00 0.00 H new ATOM 1433 N ARG A 92 4.257 -10.387 6.628 1.00 0.00 N ATOM 1434 CA ARG A 92 3.974 -9.127 7.306 1.00 0.00 C ATOM 1435 C ARG A 92 2.513 -8.727 7.123 1.00 0.00 C ATOM 1436 O ARG A 92 1.958 -8.847 6.030 1.00 0.00 O ATOM 1437 CB ARG A 92 4.888 -8.021 6.772 1.00 0.00 C ATOM 1438 CG ARG A 92 6.360 -8.395 6.772 1.00 0.00 C ATOM 1439 CD ARG A 92 7.113 -7.695 7.893 1.00 0.00 C ATOM 1440 NE ARG A 92 8.078 -8.580 8.540 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.900 -8.190 9.508 1.00 0.00 C ATOM 1442 NH1 ARG A 92 8.873 -6.936 9.940 1.00 0.00 N ATOM 1443 NH2 ARG A 92 9.750 -9.053 10.048 1.00 0.00 N ATOM 0 HA ARG A 92 4.164 -9.265 8.370 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.585 -7.771 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.750 -7.124 7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.462 -9.475 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.804 -8.129 5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.632 -6.824 7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.402 -7.330 8.634 1.00 0.00 H new ATOM 0 HE ARG A 92 8.123 -9.551 8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.220 -6.269 9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.505 -6.639 10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.774 -10.019 9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.380 -8.751 10.791 1.00 0.00 H new ATOM 1457 N CYS A 93 1.897 -8.252 8.199 1.00 0.00 N ATOM 1458 CA CYS A 93 0.499 -7.836 8.158 1.00 0.00 C ATOM 1459 C CYS A 93 0.367 -6.431 7.579 1.00 0.00 C ATOM 1460 O CYS A 93 -0.276 -5.563 8.170 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.109 -7.882 9.561 1.00 0.00 C ATOM 1462 SG CYS A 93 -1.913 -8.005 9.580 1.00 0.00 S ATOM 0 H CYS A 93 2.343 -8.145 9.110 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.042 -8.528 7.512 1.00 0.00 H new ATOM 0 HB2 CYS A 93 0.308 -8.734 10.098 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.189 -6.985 10.104 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.333 -8.040 10.810 1.00 0.00 H new ATOM 1468 N VAL A 94 0.981 -6.215 6.421 1.00 0.00 N ATOM 1469 CA VAL A 94 0.933 -4.915 5.760 1.00 0.00 C ATOM 1470 C VAL A 94 -0.506 -4.492 5.486 1.00 0.00 C ATOM 1471 O VAL A 94 -1.308 -5.272 4.972 1.00 0.00 O ATOM 1472 CB VAL A 94 1.714 -4.931 4.433 1.00 0.00 C ATOM 1473 CG1 VAL A 94 1.184 -6.021 3.514 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.641 -3.570 3.757 1.00 0.00 C ATOM 0 H VAL A 94 1.518 -6.923 5.920 1.00 0.00 H new ATOM 0 HA VAL A 94 1.397 -4.198 6.437 1.00 0.00 H new ATOM 0 HB VAL A 94 2.760 -5.149 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.748 -6.017 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.293 -6.991 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.131 -5.838 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.198 -3.599 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.600 -3.321 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.073 -2.814 4.413 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.828 -3.250 5.832 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.169 -2.720 5.622 1.00 0.00 C ATOM 1486 C LYS A 95 -2.293 -2.088 4.240 1.00 0.00 C ATOM 1487 O LYS A 95 -1.470 -1.260 3.848 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.505 -1.686 6.700 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.818 -1.959 7.415 1.00 0.00 C ATOM 1490 CD LYS A 95 -4.945 -1.108 6.854 1.00 0.00 C ATOM 1491 CE LYS A 95 -5.135 0.168 7.661 1.00 0.00 C ATOM 1492 NZ LYS A 95 -4.092 1.183 7.346 1.00 0.00 N ATOM 0 H LYS A 95 -0.177 -2.591 6.260 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.875 -3.548 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.699 -1.663 7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.548 -0.697 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.074 -3.014 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.703 -1.756 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.729 -0.855 5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.871 -1.682 6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.121 0.584 7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.104 -0.067 8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.304 2.067 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.161 0.828 7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.082 1.364 6.322 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.329 -2.481 3.505 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.563 -1.950 2.167 1.00 0.00 C ATOM 1508 C VAL A 96 -4.896 -1.214 2.094 1.00 0.00 C ATOM 1509 O VAL A 96 -5.958 -1.812 2.263 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.549 -3.070 1.109 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.663 -4.071 1.375 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -3.670 -2.482 -0.289 1.00 0.00 C ATOM 0 H VAL A 96 -4.020 -3.165 3.814 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.753 -1.251 1.957 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.598 -3.598 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.637 -4.854 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.525 -4.515 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.626 -3.562 1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.658 -3.287 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.605 -1.929 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.833 -1.809 -0.474 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.832 0.089 1.841 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.034 0.908 1.742 1.00 0.00 C ATOM 1524 C ASP A 97 -5.888 1.959 0.646 1.00 0.00 C ATOM 1525 O ASP A 97 -4.809 2.524 0.453 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.325 1.588 3.081 1.00 0.00 C ATOM 1527 CG ASP A 97 -7.142 0.710 4.010 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -6.548 -0.151 4.690 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -8.378 0.887 4.055 1.00 0.00 O ATOM 0 H ASP A 97 -3.961 0.600 1.701 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.868 0.255 1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.384 1.848 3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.860 2.521 2.903 1.00 0.00 H new ATOM 1534 N LEU A 98 -6.977 2.218 -0.068 1.00 0.00 N ATOM 1535 CA LEU A 98 -6.970 3.200 -1.147 1.00 0.00 C ATOM 1536 C LEU A 98 -6.780 4.610 -0.597 1.00 0.00 C ATOM 1537 O LEU A 98 -7.557 5.069 0.241 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.273 3.122 -1.944 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.128 2.860 -3.443 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.711 1.505 -3.808 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.800 3.966 -4.245 1.00 0.00 C ATOM 0 H LEU A 98 -7.877 1.762 0.080 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.134 2.971 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.891 2.333 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.814 4.059 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.066 2.853 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.598 1.337 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.185 0.723 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.769 1.482 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.687 3.763 -5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.860 4.005 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.335 4.922 -4.006 1.00 0.00 H new ATOM 1553 N SER A 99 -5.745 5.293 -1.076 1.00 0.00 N ATOM 1554 CA SER A 99 -5.453 6.650 -0.631 1.00 0.00 C ATOM 1555 C SER A 99 -6.501 7.630 -1.152 1.00 0.00 C ATOM 1556 O SER A 99 -6.835 7.626 -2.336 1.00 0.00 O ATOM 1557 CB SER A 99 -4.062 7.076 -1.103 1.00 0.00 C ATOM 1558 OG SER A 99 -3.764 8.398 -0.686 1.00 0.00 O ATOM 0 H SER A 99 -5.095 4.928 -1.772 1.00 0.00 H new ATOM 0 HA SER A 99 -5.479 6.662 0.459 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.314 6.389 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.008 7.013 -2.190 1.00 0.00 H new ATOM 0 HG SER A 99 -2.869 8.646 -0.999 1.00 0.00 H new