USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 756 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 37 CYS SG : rot 70:sc= 0.593 USER MOD Set 1.2: A 43 THR OG1 : rot -111:sc= -0.104 USER MOD Set 2.1: A 42 SER OG : rot 180:sc= 0.154 USER MOD Set 2.2: A 44 GLN : amide:sc= -4.09! C(o=-3.9!,f=-7!) USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= -1.17 (180deg=-3.32) USER MOD Single : A 33 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0582 (180deg=-0.322) USER MOD Single : A 51 ASN : amide:sc= -4.54! C(o=-4.5!,f=-9.8!) USER MOD Single : A 54 ASN : amide:sc= -0.719 K(o=-0.72,f=-5.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.798 X(o=-0.8,f=-0.35) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -3.58! C(o=-5!,f=-3.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -93:sc= -0.207 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -22:sc= 0.457 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.625 K(o=-0.63,f=-6.5!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 165:sc= -2.7! (180deg=-2.97!) USER MOD Single : A 83 GLN : amide:sc= -2.66! C(o=-2.7!,f=-3.3!) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.348 F(o=-1.2,f=-0.35) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 0.0618 K(o=0.062,f=-0.49) USER MOD Single : A 97 SER OG : rot 31:sc= 0.114 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 139:sc= -0.771 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 341 N ALA A 24 -11.833 -17.090 3.775 1.00 0.00 N ATOM 342 CA ALA A 24 -10.433 -16.683 3.788 1.00 0.00 C ATOM 343 C ALA A 24 -10.303 -15.170 3.929 1.00 0.00 C ATOM 344 O ALA A 24 -10.963 -14.412 3.217 1.00 0.00 O ATOM 345 CB ALA A 24 -9.732 -17.159 2.525 1.00 0.00 C ATOM 0 HA ALA A 24 -9.954 -17.145 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.688 -16.848 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.785 -18.246 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.220 -16.725 1.652 1.00 0.00 H new ATOM 351 N ILE A 25 -9.451 -14.737 4.852 1.00 0.00 N ATOM 352 CA ILE A 25 -9.235 -13.315 5.085 1.00 0.00 C ATOM 353 C ILE A 25 -7.791 -13.037 5.489 1.00 0.00 C ATOM 354 O ILE A 25 -7.184 -13.807 6.234 1.00 0.00 O ATOM 355 CB ILE A 25 -10.176 -12.774 6.178 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.626 -13.150 5.865 1.00 0.00 C ATOM 357 CG2 ILE A 25 -10.029 -11.265 6.304 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.564 -12.967 7.037 1.00 0.00 C ATOM 0 H ILE A 25 -8.899 -15.351 5.451 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.451 -12.805 4.146 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.901 -13.227 7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.978 -12.544 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.661 -14.190 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.700 -10.898 7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.000 -11.020 6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.281 -10.794 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.574 -13.253 6.743 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.237 -13.594 7.866 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.558 -11.922 7.348 1.00 0.00 H new ATOM 370 N LEU A 26 -7.247 -11.930 4.995 1.00 0.00 N ATOM 371 CA LEU A 26 -5.874 -11.548 5.306 1.00 0.00 C ATOM 372 C LEU A 26 -5.843 -10.350 6.250 1.00 0.00 C ATOM 373 O LEU A 26 -6.884 -9.788 6.590 1.00 0.00 O ATOM 374 CB LEU A 26 -5.111 -11.220 4.021 1.00 0.00 C ATOM 375 CG LEU A 26 -4.444 -12.401 3.317 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.336 -12.981 4.182 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.472 -13.470 2.977 1.00 0.00 C ATOM 0 H LEU A 26 -7.736 -11.281 4.378 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.392 -12.390 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.802 -10.749 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.344 -10.482 4.256 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.002 -12.042 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.872 -13.821 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.585 -12.214 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.755 -13.324 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.979 -14.303 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.944 -13.825 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.231 -13.048 2.318 1.00 0.00 H new ATOM 389 N ASP A 27 -4.642 -9.963 6.667 1.00 0.00 N ATOM 390 CA ASP A 27 -4.475 -8.829 7.568 1.00 0.00 C ATOM 391 C ASP A 27 -3.674 -7.716 6.900 1.00 0.00 C ATOM 392 O ASP A 27 -2.449 -7.794 6.798 1.00 0.00 O ATOM 393 CB ASP A 27 -3.779 -9.272 8.856 1.00 0.00 C ATOM 394 CG ASP A 27 -3.093 -8.124 9.568 1.00 0.00 C ATOM 395 OD1 ASP A 27 -3.767 -7.424 10.353 1.00 0.00 O ATOM 396 OD2 ASP A 27 -1.881 -7.925 9.342 1.00 0.00 O ATOM 0 H ASP A 27 -3.770 -10.418 6.395 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.465 -8.443 7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.512 -9.724 9.524 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.044 -10.042 8.622 1.00 0.00 H new ATOM 401 N PHE A 28 -4.373 -6.683 6.443 1.00 0.00 N ATOM 402 CA PHE A 28 -3.727 -5.555 5.782 1.00 0.00 C ATOM 403 C PHE A 28 -4.120 -4.238 6.445 1.00 0.00 C ATOM 404 O PHE A 28 -5.254 -4.049 6.884 1.00 0.00 O ATOM 405 CB PHE A 28 -4.101 -5.524 4.298 1.00 0.00 C ATOM 406 CG PHE A 28 -3.255 -6.427 3.448 1.00 0.00 C ATOM 407 CD1 PHE A 28 -2.080 -5.963 2.878 1.00 0.00 C ATOM 408 CD2 PHE A 28 -3.634 -7.740 3.218 1.00 0.00 C ATOM 409 CE1 PHE A 28 -1.299 -6.792 2.094 1.00 0.00 C ATOM 410 CE2 PHE A 28 -2.856 -8.573 2.436 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.688 -8.098 1.872 1.00 0.00 C ATOM 0 H PHE A 28 -5.387 -6.603 6.518 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.648 -5.680 5.875 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.147 -5.811 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.011 -4.502 3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.771 -4.942 3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.547 -8.117 3.655 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.385 -6.418 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.161 -9.595 2.266 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.080 -8.747 1.259 1.00 0.00 H new ATOM 421 N PRO A 29 -3.159 -3.304 6.519 1.00 0.00 N ATOM 422 CA PRO A 29 -3.380 -1.989 7.127 1.00 0.00 C ATOM 423 C PRO A 29 -4.304 -1.111 6.290 1.00 0.00 C ATOM 424 O PRO A 29 -4.397 -1.275 5.073 1.00 0.00 O ATOM 425 CB PRO A 29 -1.975 -1.384 7.184 1.00 0.00 C ATOM 426 CG PRO A 29 -1.224 -2.068 6.094 1.00 0.00 C ATOM 427 CD PRO A 29 -1.784 -3.461 6.016 1.00 0.00 C ATOM 0 HA PRO A 29 -3.866 -2.066 8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.002 -0.305 7.030 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.509 -1.556 8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.348 -1.544 5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.156 -2.088 6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.771 -3.843 4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.210 -4.159 6.625 1.00 0.00 H new ATOM 435 N ASP A 30 -4.986 -0.180 6.948 1.00 0.00 N ATOM 436 CA ASP A 30 -5.902 0.725 6.264 1.00 0.00 C ATOM 437 C ASP A 30 -5.222 1.385 5.069 1.00 0.00 C ATOM 438 O ASP A 30 -5.801 1.481 3.986 1.00 0.00 O ATOM 439 CB ASP A 30 -6.413 1.794 7.230 1.00 0.00 C ATOM 440 CG ASP A 30 -7.800 2.287 6.868 1.00 0.00 C ATOM 441 OD1 ASP A 30 -8.786 1.681 7.338 1.00 0.00 O ATOM 442 OD2 ASP A 30 -7.900 3.277 6.114 1.00 0.00 O ATOM 0 H ASP A 30 -4.922 -0.032 7.955 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.748 0.141 5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.428 1.388 8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.721 2.636 7.234 1.00 0.00 H new ATOM 447 N LYS A 31 -3.990 1.839 5.272 1.00 0.00 N ATOM 448 CA LYS A 31 -3.229 2.490 4.211 1.00 0.00 C ATOM 449 C LYS A 31 -1.734 2.452 4.512 1.00 0.00 C ATOM 450 O LYS A 31 -1.323 2.131 5.628 1.00 0.00 O ATOM 451 CB LYS A 31 -3.690 3.940 4.042 1.00 0.00 C ATOM 452 CG LYS A 31 -3.881 4.675 5.357 1.00 0.00 C ATOM 453 CD LYS A 31 -4.148 6.154 5.135 1.00 0.00 C ATOM 454 CE LYS A 31 -3.168 6.754 4.138 1.00 0.00 C ATOM 455 NZ LYS A 31 -3.717 6.757 2.754 1.00 0.00 N ATOM 0 H LYS A 31 -3.497 1.768 6.162 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.408 1.947 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.958 4.477 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.629 3.952 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.713 4.232 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.992 4.554 5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.167 6.290 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.074 6.685 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.927 7.775 4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.237 6.188 4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.323 7.562 2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.459 5.870 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.753 6.842 2.792 1.00 0.00 H new ATOM 469 N LEU A 32 -0.926 2.784 3.512 1.00 0.00 N ATOM 470 CA LEU A 32 0.524 2.789 3.670 1.00 0.00 C ATOM 471 C LEU A 32 1.051 4.213 3.817 1.00 0.00 C ATOM 472 O LEU A 32 0.907 5.035 2.913 1.00 0.00 O ATOM 473 CB LEU A 32 1.190 2.109 2.472 1.00 0.00 C ATOM 474 CG LEU A 32 2.471 1.329 2.770 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.481 2.214 3.485 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.161 0.092 3.601 1.00 0.00 C ATOM 0 H LEU A 32 -1.250 3.053 2.583 1.00 0.00 H new ATOM 0 HA LEU A 32 0.767 2.235 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.470 1.427 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.418 2.871 1.727 1.00 0.00 H new ATOM 0 HG LEU A 32 2.906 1.007 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.386 1.642 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.726 3.069 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.055 2.566 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.084 -0.451 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.702 0.392 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.474 -0.552 3.052 1.00 0.00 H new ATOM 488 N ASN A 33 1.662 4.497 4.963 1.00 0.00 N ATOM 489 CA ASN A 33 2.211 5.822 5.228 1.00 0.00 C ATOM 490 C ASN A 33 3.721 5.839 5.007 1.00 0.00 C ATOM 491 O ASN A 33 4.481 5.282 5.800 1.00 0.00 O ATOM 492 CB ASN A 33 1.889 6.253 6.660 1.00 0.00 C ATOM 493 CG ASN A 33 2.053 5.121 7.655 1.00 0.00 C ATOM 494 OD1 ASN A 33 2.841 4.200 7.441 1.00 0.00 O ATOM 495 ND2 ASN A 33 1.306 5.185 8.752 1.00 0.00 N ATOM 0 H ASN A 33 1.789 3.828 5.722 1.00 0.00 H new ATOM 0 HA ASN A 33 1.752 6.524 4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.541 7.079 6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.866 6.625 6.703 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.373 4.452 9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.666 5.967 8.888 1.00 0.00 H new ATOM 502 N PHE A 34 4.148 6.481 3.925 1.00 0.00 N ATOM 503 CA PHE A 34 5.567 6.571 3.599 1.00 0.00 C ATOM 504 C PHE A 34 6.177 7.847 4.172 1.00 0.00 C ATOM 505 O PHE A 34 5.886 8.949 3.707 1.00 0.00 O ATOM 506 CB PHE A 34 5.767 6.532 2.083 1.00 0.00 C ATOM 507 CG PHE A 34 5.801 5.140 1.518 1.00 0.00 C ATOM 508 CD1 PHE A 34 4.627 4.486 1.183 1.00 0.00 C ATOM 509 CD2 PHE A 34 7.007 4.486 1.324 1.00 0.00 C ATOM 510 CE1 PHE A 34 4.654 3.205 0.663 1.00 0.00 C ATOM 511 CE2 PHE A 34 7.041 3.206 0.804 1.00 0.00 C ATOM 512 CZ PHE A 34 5.863 2.564 0.474 1.00 0.00 C ATOM 0 H PHE A 34 3.532 6.947 3.259 1.00 0.00 H new ATOM 0 HA PHE A 34 6.072 5.715 4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.963 7.090 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.699 7.039 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.679 4.982 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.931 4.982 1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.731 2.706 0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.988 2.708 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.887 1.563 0.069 1.00 0.00 H new ATOM 522 N SER A 35 7.023 7.689 5.184 1.00 0.00 N ATOM 523 CA SER A 35 7.671 8.828 5.823 1.00 0.00 C ATOM 524 C SER A 35 8.349 9.720 4.787 1.00 0.00 C ATOM 525 O SER A 35 8.403 9.386 3.603 1.00 0.00 O ATOM 526 CB SER A 35 8.699 8.347 6.849 1.00 0.00 C ATOM 527 OG SER A 35 8.071 7.662 7.919 1.00 0.00 O ATOM 0 H SER A 35 7.276 6.783 5.579 1.00 0.00 H new ATOM 0 HA SER A 35 6.904 9.411 6.333 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.420 7.688 6.365 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.257 9.200 7.237 1.00 0.00 H new ATOM 0 HG SER A 35 8.750 7.364 8.560 1.00 0.00 H new ATOM 533 N THR A 36 8.865 10.858 5.242 1.00 0.00 N ATOM 534 CA THR A 36 9.538 11.799 4.356 1.00 0.00 C ATOM 535 C THR A 36 10.617 11.105 3.533 1.00 0.00 C ATOM 536 O THR A 36 11.624 10.646 4.074 1.00 0.00 O ATOM 537 CB THR A 36 10.176 12.957 5.147 1.00 0.00 C ATOM 538 OG1 THR A 36 9.266 13.427 6.147 1.00 0.00 O ATOM 539 CG2 THR A 36 10.554 14.102 4.220 1.00 0.00 C ATOM 0 H THR A 36 8.829 11.150 6.219 1.00 0.00 H new ATOM 0 HA THR A 36 8.778 12.201 3.686 1.00 0.00 H new ATOM 0 HB THR A 36 11.081 12.585 5.626 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.680 14.162 6.646 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.002 14.908 4.801 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.270 13.748 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.661 14.472 3.716 1.00 0.00 H new ATOM 547 N CYS A 37 10.401 11.032 2.224 1.00 0.00 N ATOM 548 CA CYS A 37 11.357 10.393 1.327 1.00 0.00 C ATOM 549 C CYS A 37 11.681 11.299 0.144 1.00 0.00 C ATOM 550 O CYS A 37 10.934 12.220 -0.188 1.00 0.00 O ATOM 551 CB CYS A 37 10.803 9.058 0.825 1.00 0.00 C ATOM 552 SG CYS A 37 10.810 7.743 2.066 1.00 0.00 S ATOM 0 H CYS A 37 9.573 11.407 1.761 1.00 0.00 H new ATOM 0 HA CYS A 37 12.276 10.211 1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.781 9.209 0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.389 8.734 -0.035 1.00 0.00 H new ATOM 0 HG CYS A 37 9.917 8.000 2.975 1.00 0.00 H new ATOM 558 N PRO A 38 12.823 11.036 -0.508 1.00 0.00 N ATOM 559 CA PRO A 38 13.274 11.817 -1.664 1.00 0.00 C ATOM 560 C PRO A 38 12.404 11.587 -2.894 1.00 0.00 C ATOM 561 O PRO A 38 11.869 10.496 -3.094 1.00 0.00 O ATOM 562 CB PRO A 38 14.694 11.301 -1.909 1.00 0.00 C ATOM 563 CG PRO A 38 14.699 9.922 -1.344 1.00 0.00 C ATOM 564 CD PRO A 38 13.763 9.954 -0.168 1.00 0.00 C ATOM 0 HA PRO A 38 13.222 12.889 -1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.935 11.294 -2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.435 11.932 -1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.369 9.195 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.703 9.630 -1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.249 9.002 -0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.293 10.160 0.762 1.00 0.00 H new ATOM 572 N VAL A 39 12.266 12.621 -3.718 1.00 0.00 N ATOM 573 CA VAL A 39 11.461 12.530 -4.931 1.00 0.00 C ATOM 574 C VAL A 39 12.177 11.721 -6.006 1.00 0.00 C ATOM 575 O VAL A 39 11.605 10.800 -6.590 1.00 0.00 O ATOM 576 CB VAL A 39 11.131 13.927 -5.490 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.266 14.898 -5.207 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.844 13.848 -6.982 1.00 0.00 C ATOM 0 H VAL A 39 12.701 13.531 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 39 10.533 12.026 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 39 10.236 14.298 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.014 15.879 -5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.419 14.976 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.180 14.536 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.613 14.843 -7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.719 13.456 -7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.994 13.187 -7.155 1.00 0.00 H new ATOM 588 N LYS A 40 13.434 12.069 -6.263 1.00 0.00 N ATOM 589 CA LYS A 40 14.231 11.374 -7.267 1.00 0.00 C ATOM 590 C LYS A 40 14.535 9.946 -6.827 1.00 0.00 C ATOM 591 O LYS A 40 14.098 8.985 -7.461 1.00 0.00 O ATOM 592 CB LYS A 40 15.537 12.129 -7.523 1.00 0.00 C ATOM 593 CG LYS A 40 15.433 13.167 -8.627 1.00 0.00 C ATOM 594 CD LYS A 40 14.739 14.429 -8.143 1.00 0.00 C ATOM 595 CE LYS A 40 14.846 15.551 -9.165 1.00 0.00 C ATOM 596 NZ LYS A 40 13.792 15.448 -10.212 1.00 0.00 N ATOM 0 H LYS A 40 13.923 12.829 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 40 13.653 11.336 -8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.849 12.621 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.316 11.412 -7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.431 13.415 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.883 12.749 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.689 14.215 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.182 14.750 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.763 16.513 -8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.829 15.522 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.898 16.230 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.887 14.541 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.854 15.501 -9.766 1.00 0.00 H new ATOM 610 N TYR A 41 15.284 9.814 -5.738 1.00 0.00 N ATOM 611 CA TYR A 41 15.647 8.502 -5.215 1.00 0.00 C ATOM 612 C TYR A 41 14.410 7.628 -5.031 1.00 0.00 C ATOM 613 O TYR A 41 13.288 8.128 -4.958 1.00 0.00 O ATOM 614 CB TYR A 41 16.385 8.648 -3.883 1.00 0.00 C ATOM 615 CG TYR A 41 17.829 9.070 -4.034 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.788 8.180 -4.499 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.234 10.359 -3.710 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.109 8.561 -4.638 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.552 10.749 -3.847 1.00 0.00 C ATOM 620 CZ TYR A 41 20.486 9.846 -4.311 1.00 0.00 C ATOM 621 OH TYR A 41 21.800 10.231 -4.448 1.00 0.00 O ATOM 0 H TYR A 41 15.652 10.599 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 41 16.306 8.020 -5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 41 15.864 9.381 -3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.347 7.698 -3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.496 7.172 -4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.506 11.068 -3.345 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.842 7.856 -5.001 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.850 11.755 -3.592 1.00 0.00 H new ATOM 0 HH TYR A 41 21.897 11.168 -4.176 1.00 0.00 H new ATOM 631 N SER A 42 14.625 6.318 -4.956 1.00 0.00 N ATOM 632 CA SER A 42 13.529 5.372 -4.783 1.00 0.00 C ATOM 633 C SER A 42 13.347 5.014 -3.312 1.00 0.00 C ATOM 634 O SER A 42 14.279 5.121 -2.514 1.00 0.00 O ATOM 635 CB SER A 42 13.788 4.105 -5.600 1.00 0.00 C ATOM 636 OG SER A 42 15.103 3.621 -5.389 1.00 0.00 O ATOM 0 H SER A 42 15.548 5.888 -5.012 1.00 0.00 H new ATOM 0 HA SER A 42 12.614 5.845 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.066 3.337 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.640 4.315 -6.659 1.00 0.00 H new ATOM 0 HG SER A 42 15.242 2.810 -5.921 1.00 0.00 H new ATOM 642 N THR A 43 12.139 4.586 -2.958 1.00 0.00 N ATOM 643 CA THR A 43 11.833 4.212 -1.583 1.00 0.00 C ATOM 644 C THR A 43 11.499 2.729 -1.478 1.00 0.00 C ATOM 645 O THR A 43 10.966 2.136 -2.416 1.00 0.00 O ATOM 646 CB THR A 43 10.654 5.033 -1.027 1.00 0.00 C ATOM 647 OG1 THR A 43 10.957 6.431 -1.090 1.00 0.00 O ATOM 648 CG2 THR A 43 10.351 4.639 0.411 1.00 0.00 C ATOM 0 H THR A 43 11.356 4.490 -3.605 1.00 0.00 H new ATOM 0 HA THR A 43 12.724 4.423 -0.992 1.00 0.00 H new ATOM 0 HB THR A 43 9.775 4.825 -1.637 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.073 6.782 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.515 5.232 0.782 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.092 3.581 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.229 4.821 1.031 1.00 0.00 H new ATOM 656 N GLN A 44 11.814 2.135 -0.331 1.00 0.00 N ATOM 657 CA GLN A 44 11.547 0.720 -0.105 1.00 0.00 C ATOM 658 C GLN A 44 11.019 0.485 1.307 1.00 0.00 C ATOM 659 O GLN A 44 11.476 1.110 2.264 1.00 0.00 O ATOM 660 CB GLN A 44 12.816 -0.103 -0.331 1.00 0.00 C ATOM 661 CG GLN A 44 13.242 -0.176 -1.789 1.00 0.00 C ATOM 662 CD GLN A 44 13.821 1.132 -2.293 1.00 0.00 C ATOM 663 OE1 GLN A 44 14.143 2.025 -1.509 1.00 0.00 O ATOM 664 NE2 GLN A 44 13.955 1.251 -3.609 1.00 0.00 N ATOM 0 H GLN A 44 12.254 2.612 0.456 1.00 0.00 H new ATOM 0 HA GLN A 44 10.785 0.402 -0.816 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.628 0.328 0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.655 -1.114 0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.983 -0.967 -1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.383 -0.449 -2.402 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.675 0.485 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.338 2.108 -4.007 1.00 0.00 H new ATOM 673 N LYS A 45 10.055 -0.421 1.429 1.00 0.00 N ATOM 674 CA LYS A 45 9.464 -0.740 2.724 1.00 0.00 C ATOM 675 C LYS A 45 8.845 -2.135 2.710 1.00 0.00 C ATOM 676 O LYS A 45 8.530 -2.673 1.649 1.00 0.00 O ATOM 677 CB LYS A 45 8.402 0.297 3.093 1.00 0.00 C ATOM 678 CG LYS A 45 8.900 1.363 4.053 1.00 0.00 C ATOM 679 CD LYS A 45 8.036 2.611 3.999 1.00 0.00 C ATOM 680 CE LYS A 45 6.741 2.426 4.774 1.00 0.00 C ATOM 681 NZ LYS A 45 6.982 2.321 6.240 1.00 0.00 N ATOM 0 H LYS A 45 9.666 -0.948 0.647 1.00 0.00 H new ATOM 0 HA LYS A 45 10.257 -0.720 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.045 0.778 2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.549 -0.213 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.904 0.966 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.930 1.622 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.589 3.456 4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.809 2.853 2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.075 3.266 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.234 1.527 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.098 2.518 6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.309 1.361 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.707 3.011 6.523 1.00 0.00 H new ATOM 695 N ILE A 46 8.673 -2.712 3.894 1.00 0.00 N ATOM 696 CA ILE A 46 8.090 -4.042 4.017 1.00 0.00 C ATOM 697 C ILE A 46 6.769 -3.994 4.778 1.00 0.00 C ATOM 698 O ILE A 46 6.551 -3.115 5.612 1.00 0.00 O ATOM 699 CB ILE A 46 9.047 -5.013 4.734 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.347 -5.159 3.941 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.382 -6.368 4.925 1.00 0.00 C ATOM 702 CD1 ILE A 46 11.412 -5.952 4.667 1.00 0.00 C ATOM 0 H ILE A 46 8.929 -2.280 4.782 1.00 0.00 H new ATOM 0 HA ILE A 46 7.911 -4.403 3.004 1.00 0.00 H new ATOM 0 HB ILE A 46 9.286 -4.606 5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.130 -5.644 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.737 -4.167 3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.071 -7.043 5.433 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.481 -6.249 5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.117 -6.784 3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.305 -6.015 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.657 -5.457 5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.041 -6.956 4.872 1.00 0.00 H new ATOM 714 N LEU A 47 5.890 -4.947 4.486 1.00 0.00 N ATOM 715 CA LEU A 47 4.590 -5.016 5.144 1.00 0.00 C ATOM 716 C LEU A 47 4.318 -6.422 5.668 1.00 0.00 C ATOM 717 O LEU A 47 4.190 -7.371 4.893 1.00 0.00 O ATOM 718 CB LEU A 47 3.483 -4.598 4.174 1.00 0.00 C ATOM 719 CG LEU A 47 2.086 -5.141 4.477 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.476 -4.412 5.664 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.188 -5.015 3.254 1.00 0.00 C ATOM 0 H LEU A 47 6.054 -5.682 3.798 1.00 0.00 H new ATOM 0 HA LEU A 47 4.602 -4.329 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.433 -3.509 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.766 -4.918 3.171 1.00 0.00 H new ATOM 0 HG LEU A 47 2.175 -6.197 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.482 -4.812 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.108 -4.553 6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.400 -3.348 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.198 -5.406 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.106 -3.966 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.617 -5.582 2.428 1.00 0.00 H new ATOM 733 N LEU A 48 4.231 -6.549 6.987 1.00 0.00 N ATOM 734 CA LEU A 48 3.972 -7.840 7.616 1.00 0.00 C ATOM 735 C LEU A 48 2.508 -8.238 7.460 1.00 0.00 C ATOM 736 O LEU A 48 1.608 -7.526 7.906 1.00 0.00 O ATOM 737 CB LEU A 48 4.343 -7.791 9.099 1.00 0.00 C ATOM 738 CG LEU A 48 4.441 -9.140 9.812 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.093 -9.843 9.812 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.500 -10.014 9.156 1.00 0.00 C ATOM 0 H LEU A 48 4.336 -5.774 7.642 1.00 0.00 H new ATOM 0 HA LEU A 48 4.588 -8.589 7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.301 -7.281 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.603 -7.181 9.618 1.00 0.00 H new ATOM 0 HG LEU A 48 4.735 -8.962 10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.182 -10.801 10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.359 -9.223 10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.769 -10.009 8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.556 -10.970 9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.236 -10.184 8.112 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.468 -9.515 9.209 1.00 0.00 H new ATOM 752 N VAL A 49 2.276 -9.383 6.824 1.00 0.00 N ATOM 753 CA VAL A 49 0.921 -9.878 6.612 1.00 0.00 C ATOM 754 C VAL A 49 0.687 -11.180 7.369 1.00 0.00 C ATOM 755 O VAL A 49 1.508 -12.096 7.318 1.00 0.00 O ATOM 756 CB VAL A 49 0.636 -10.108 5.116 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.823 -10.484 4.902 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.000 -8.871 4.308 1.00 0.00 C ATOM 0 H VAL A 49 3.009 -9.984 6.447 1.00 0.00 H new ATOM 0 HA VAL A 49 0.242 -9.114 6.991 1.00 0.00 H new ATOM 0 HB VAL A 49 1.255 -10.936 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.006 -10.643 3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.047 -11.400 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.463 -9.679 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.792 -9.051 3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.409 -8.023 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.060 -8.651 4.437 1.00 0.00 H new ATOM 768 N ARG A 50 -0.439 -11.257 8.070 1.00 0.00 N ATOM 769 CA ARG A 50 -0.782 -12.447 8.839 1.00 0.00 C ATOM 770 C ARG A 50 -2.136 -13.002 8.408 1.00 0.00 C ATOM 771 O ARG A 50 -3.132 -12.279 8.376 1.00 0.00 O ATOM 772 CB ARG A 50 -0.802 -12.126 10.334 1.00 0.00 C ATOM 773 CG ARG A 50 -1.120 -13.327 11.211 1.00 0.00 C ATOM 774 CD ARG A 50 -1.527 -12.901 12.613 1.00 0.00 C ATOM 775 NE ARG A 50 -0.379 -12.805 13.510 1.00 0.00 N ATOM 776 CZ ARG A 50 0.048 -13.809 14.268 1.00 0.00 C ATOM 777 NH1 ARG A 50 -0.576 -14.979 14.237 1.00 0.00 N ATOM 778 NH2 ARG A 50 1.100 -13.645 15.060 1.00 0.00 N ATOM 0 H ARG A 50 -1.130 -10.509 8.121 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.022 -13.204 8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.168 -11.722 10.623 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.540 -11.346 10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.924 -13.907 10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.249 -13.979 11.266 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.032 -11.936 12.566 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.243 -13.617 13.016 1.00 0.00 H new ATOM 0 HE ARG A 50 0.123 -11.918 13.557 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.386 -15.109 13.630 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.246 -15.748 14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.582 -12.747 15.088 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.426 -14.417 15.641 1.00 0.00 H new ATOM 792 N ASN A 51 -2.165 -14.288 8.077 1.00 0.00 N ATOM 793 CA ASN A 51 -3.397 -14.940 7.646 1.00 0.00 C ATOM 794 C ASN A 51 -4.343 -15.146 8.825 1.00 0.00 C ATOM 795 O ASN A 51 -4.023 -15.864 9.773 1.00 0.00 O ATOM 796 CB ASN A 51 -3.084 -16.284 6.987 1.00 0.00 C ATOM 797 CG ASN A 51 -4.337 -17.076 6.665 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.188 -17.291 7.528 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.456 -17.513 5.417 1.00 0.00 N ATOM 0 H ASN A 51 -1.349 -14.900 8.099 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.887 -14.293 6.918 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.520 -16.113 6.070 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.447 -16.870 7.649 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.278 -18.050 5.141 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.726 -17.311 4.734 1.00 0.00 H new ATOM 806 N ILE A 52 -5.510 -14.513 8.759 1.00 0.00 N ATOM 807 CA ILE A 52 -6.503 -14.629 9.819 1.00 0.00 C ATOM 808 C ILE A 52 -7.629 -15.575 9.416 1.00 0.00 C ATOM 809 O ILE A 52 -8.379 -16.061 10.262 1.00 0.00 O ATOM 810 CB ILE A 52 -7.103 -13.258 10.181 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.752 -12.620 8.950 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.030 -12.344 10.754 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.550 -11.375 9.265 1.00 0.00 C ATOM 0 H ILE A 52 -5.790 -13.915 7.982 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.988 -15.032 10.691 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.872 -13.404 10.940 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.975 -12.371 8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.406 -13.351 8.474 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.470 -11.379 11.005 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.609 -12.795 11.652 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.241 -12.202 10.016 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.981 -10.977 8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.349 -11.622 9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.896 -10.627 9.713 1.00 0.00 H new ATOM 825 N GLY A 53 -7.742 -15.833 8.117 1.00 0.00 N ATOM 826 CA GLY A 53 -8.779 -16.721 7.624 1.00 0.00 C ATOM 827 C GLY A 53 -8.746 -18.079 8.295 1.00 0.00 C ATOM 828 O GLY A 53 -7.962 -18.305 9.216 1.00 0.00 O ATOM 0 H GLY A 53 -7.134 -15.443 7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.754 -16.262 7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.663 -16.848 6.548 1.00 0.00 H new ATOM 832 N ASN A 54 -9.601 -18.986 7.834 1.00 0.00 N ATOM 833 CA ASN A 54 -9.669 -20.329 8.399 1.00 0.00 C ATOM 834 C ASN A 54 -8.904 -21.323 7.530 1.00 0.00 C ATOM 835 O ASN A 54 -8.248 -22.233 8.038 1.00 0.00 O ATOM 836 CB ASN A 54 -11.126 -20.774 8.539 1.00 0.00 C ATOM 837 CG ASN A 54 -11.978 -19.743 9.256 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.529 -18.629 9.523 1.00 0.00 O ATOM 839 ND2 ASN A 54 -13.214 -20.113 9.570 1.00 0.00 N ATOM 0 H ASN A 54 -10.256 -18.816 7.071 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.208 -20.304 9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.543 -20.961 7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.165 -21.717 9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.834 -19.463 10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.543 -21.048 9.328 1.00 0.00 H new ATOM 846 N LYS A 55 -8.992 -21.143 6.216 1.00 0.00 N ATOM 847 CA LYS A 55 -8.308 -22.022 5.275 1.00 0.00 C ATOM 848 C LYS A 55 -7.267 -21.251 4.470 1.00 0.00 C ATOM 849 O LYS A 55 -7.107 -20.043 4.640 1.00 0.00 O ATOM 850 CB LYS A 55 -9.318 -22.675 4.329 1.00 0.00 C ATOM 851 CG LYS A 55 -9.900 -23.973 4.863 1.00 0.00 C ATOM 852 CD LYS A 55 -10.693 -24.709 3.796 1.00 0.00 C ATOM 853 CE LYS A 55 -12.151 -24.276 3.788 1.00 0.00 C ATOM 854 NZ LYS A 55 -12.804 -24.554 2.479 1.00 0.00 N ATOM 0 H LYS A 55 -9.531 -20.396 5.779 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.799 -22.799 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.130 -21.974 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.834 -22.870 3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.095 -24.612 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.545 -23.760 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.251 -24.521 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.632 -25.783 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.689 -24.797 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.215 -23.210 4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.796 -24.245 2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.306 -24.037 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.766 -25.574 2.282 1.00 0.00 H new ATOM 868 N ASN A 56 -6.562 -21.958 3.592 1.00 0.00 N ATOM 869 CA ASN A 56 -5.537 -21.339 2.760 1.00 0.00 C ATOM 870 C ASN A 56 -6.091 -20.119 2.031 1.00 0.00 C ATOM 871 O ASN A 56 -7.168 -20.174 1.437 1.00 0.00 O ATOM 872 CB ASN A 56 -4.994 -22.349 1.747 1.00 0.00 C ATOM 873 CG ASN A 56 -5.774 -22.340 0.447 1.00 0.00 C ATOM 874 OD1 ASN A 56 -6.720 -23.109 0.272 1.00 0.00 O ATOM 875 ND2 ASN A 56 -5.379 -21.468 -0.473 1.00 0.00 N ATOM 0 H ASN A 56 -6.682 -22.959 3.439 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.725 -21.014 3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.947 -22.126 1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.028 -23.348 2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.865 -21.416 -1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.590 -20.850 -0.284 1.00 0.00 H new ATOM 882 N ALA A 57 -5.347 -19.019 2.080 1.00 0.00 N ATOM 883 CA ALA A 57 -5.763 -17.786 1.422 1.00 0.00 C ATOM 884 C ALA A 57 -4.811 -17.422 0.287 1.00 0.00 C ATOM 885 O ALA A 57 -3.594 -17.552 0.418 1.00 0.00 O ATOM 886 CB ALA A 57 -5.843 -16.650 2.431 1.00 0.00 C ATOM 0 H ALA A 57 -4.454 -18.956 2.568 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.753 -17.947 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.155 -15.736 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.568 -16.902 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.864 -16.498 2.886 1.00 0.00 H new ATOM 892 N VAL A 58 -5.374 -16.965 -0.827 1.00 0.00 N ATOM 893 CA VAL A 58 -4.575 -16.582 -1.985 1.00 0.00 C ATOM 894 C VAL A 58 -4.892 -15.157 -2.424 1.00 0.00 C ATOM 895 O VAL A 58 -6.047 -14.818 -2.685 1.00 0.00 O ATOM 896 CB VAL A 58 -4.811 -17.537 -3.171 1.00 0.00 C ATOM 897 CG1 VAL A 58 -3.989 -17.105 -4.376 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.482 -18.968 -2.775 1.00 0.00 C ATOM 0 H VAL A 58 -6.380 -16.851 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.530 -16.642 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.865 -17.494 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.168 -17.791 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.279 -16.096 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.930 -17.117 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.654 -19.629 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.437 -19.031 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.119 -19.271 -1.944 1.00 0.00 H new ATOM 908 N PHE A 59 -3.859 -14.325 -2.505 1.00 0.00 N ATOM 909 CA PHE A 59 -4.027 -12.935 -2.912 1.00 0.00 C ATOM 910 C PHE A 59 -3.081 -12.585 -4.057 1.00 0.00 C ATOM 911 O PHE A 59 -1.997 -13.156 -4.177 1.00 0.00 O ATOM 912 CB PHE A 59 -3.778 -12.000 -1.726 1.00 0.00 C ATOM 913 CG PHE A 59 -2.530 -12.326 -0.958 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.549 -13.276 0.051 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.336 -11.683 -1.244 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.402 -13.579 0.760 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.186 -11.981 -0.539 1.00 0.00 C ATOM 918 CZ PHE A 59 -0.219 -12.930 0.465 1.00 0.00 C ATOM 0 H PHE A 59 -2.897 -14.589 -2.294 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.052 -12.806 -3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.714 -10.974 -2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.633 -12.046 -1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.472 -13.786 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.304 -10.940 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.431 -14.322 1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.738 -11.473 -0.772 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.679 -13.164 1.018 1.00 0.00 H new ATOM 928 N HIS A 60 -3.500 -11.643 -4.896 1.00 0.00 N ATOM 929 CA HIS A 60 -2.691 -11.217 -6.032 1.00 0.00 C ATOM 930 C HIS A 60 -2.704 -9.697 -6.168 1.00 0.00 C ATOM 931 O HIS A 60 -3.699 -9.111 -6.596 1.00 0.00 O ATOM 932 CB HIS A 60 -3.204 -11.860 -7.321 1.00 0.00 C ATOM 933 CG HIS A 60 -2.446 -11.440 -8.542 1.00 0.00 C ATOM 934 ND1 HIS A 60 -1.553 -10.440 -8.730 1.00 0.00 N flip ATOM 935 CD2 HIS A 60 -2.569 -12.076 -9.760 1.00 0.00 C flip ATOM 936 CE1 HIS A 60 -1.156 -10.491 -10.044 1.00 0.00 C flip ATOM 937 NE2 HIS A 60 -1.783 -11.487 -10.643 1.00 0.00 N flip ATOM 0 H HIS A 60 -4.395 -11.160 -4.811 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.665 -11.540 -5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.148 -12.944 -7.224 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.256 -11.605 -7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.208 -12.923 -9.960 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.446 -9.825 -10.511 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.678 -11.756 -11.621 1.00 0.00 H new ATOM 946 N ILE A 61 -1.594 -9.066 -5.801 1.00 0.00 N ATOM 947 CA ILE A 61 -1.478 -7.615 -5.883 1.00 0.00 C ATOM 948 C ILE A 61 -0.912 -7.184 -7.231 1.00 0.00 C ATOM 949 O ILE A 61 -0.060 -7.862 -7.806 1.00 0.00 O ATOM 950 CB ILE A 61 -0.582 -7.058 -4.761 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.040 -7.589 -3.401 1.00 0.00 C ATOM 952 CG2 ILE A 61 -0.601 -5.536 -4.774 1.00 0.00 C ATOM 953 CD1 ILE A 61 -0.041 -7.350 -2.291 1.00 0.00 C ATOM 0 H ILE A 61 -0.762 -9.536 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.484 -7.211 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 61 0.441 -7.391 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.986 -7.117 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.230 -8.659 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.037 -5.157 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.232 -5.176 -5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.621 -5.184 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.432 -7.752 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.899 -7.846 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.131 -6.279 -2.181 1.00 0.00 H new ATOM 965 N LYS A 62 -1.389 -6.049 -7.732 1.00 0.00 N ATOM 966 CA LYS A 62 -0.930 -5.524 -9.012 1.00 0.00 C ATOM 967 C LYS A 62 -0.942 -3.998 -9.010 1.00 0.00 C ATOM 968 O LYS A 62 -1.873 -3.375 -8.498 1.00 0.00 O ATOM 969 CB LYS A 62 -1.809 -6.050 -10.148 1.00 0.00 C ATOM 970 CG LYS A 62 -3.263 -5.626 -10.038 1.00 0.00 C ATOM 971 CD LYS A 62 -3.917 -5.516 -11.406 1.00 0.00 C ATOM 972 CE LYS A 62 -5.423 -5.339 -11.291 1.00 0.00 C ATOM 973 NZ LYS A 62 -6.058 -5.112 -12.619 1.00 0.00 N ATOM 0 H LYS A 62 -2.094 -5.475 -7.270 1.00 0.00 H new ATOM 0 HA LYS A 62 0.094 -5.862 -9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.408 -5.699 -11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.757 -7.139 -10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.808 -6.348 -9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.325 -4.666 -9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.491 -4.672 -11.947 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.698 -6.411 -11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.858 -6.224 -10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.641 -4.496 -10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.084 -4.996 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.661 -4.253 -13.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.872 -5.928 -13.237 1.00 0.00 H new ATOM 987 N THR A 63 0.096 -3.402 -9.587 1.00 0.00 N ATOM 988 CA THR A 63 0.204 -1.950 -9.652 1.00 0.00 C ATOM 989 C THR A 63 1.266 -1.522 -10.658 1.00 0.00 C ATOM 990 O THR A 63 2.055 -2.342 -11.128 1.00 0.00 O ATOM 991 CB THR A 63 0.545 -1.349 -8.275 1.00 0.00 C ATOM 992 OG1 THR A 63 0.539 0.081 -8.349 1.00 0.00 O ATOM 993 CG2 THR A 63 1.906 -1.832 -7.797 1.00 0.00 C ATOM 0 H THR A 63 0.874 -3.902 -10.016 1.00 0.00 H new ATOM 0 HA THR A 63 -0.768 -1.575 -9.973 1.00 0.00 H new ATOM 0 HB THR A 63 -0.211 -1.678 -7.562 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.447 0.403 -8.530 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.126 -1.395 -6.823 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.898 -2.919 -7.713 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.671 -1.529 -8.512 1.00 0.00 H new ATOM 1001 N CYS A 64 1.281 -0.234 -10.984 1.00 0.00 N ATOM 1002 CA CYS A 64 2.248 0.303 -11.935 1.00 0.00 C ATOM 1003 C CYS A 64 2.998 1.489 -11.336 1.00 0.00 C ATOM 1004 O CYS A 64 2.520 2.131 -10.401 1.00 0.00 O ATOM 1005 CB CYS A 64 1.544 0.728 -13.224 1.00 0.00 C ATOM 1006 SG CYS A 64 0.276 1.995 -12.991 1.00 0.00 S ATOM 0 H CYS A 64 0.635 0.458 -10.604 1.00 0.00 H new ATOM 0 HA CYS A 64 2.969 -0.481 -12.165 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.290 1.101 -13.926 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.086 -0.149 -13.681 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.260 2.289 -14.138 1.00 0.00 H new ATOM 1012 N ARG A 65 4.177 1.772 -11.881 1.00 0.00 N ATOM 1013 CA ARG A 65 4.995 2.879 -11.399 1.00 0.00 C ATOM 1014 C ARG A 65 4.187 4.172 -11.352 1.00 0.00 C ATOM 1015 O ARG A 65 3.187 4.334 -12.052 1.00 0.00 O ATOM 1016 CB ARG A 65 6.220 3.063 -12.296 1.00 0.00 C ATOM 1017 CG ARG A 65 5.875 3.402 -13.737 1.00 0.00 C ATOM 1018 CD ARG A 65 7.125 3.542 -14.592 1.00 0.00 C ATOM 1019 NE ARG A 65 8.003 4.603 -14.107 1.00 0.00 N ATOM 1020 CZ ARG A 65 9.236 4.802 -14.561 1.00 0.00 C ATOM 1021 NH1 ARG A 65 9.732 4.016 -15.506 1.00 0.00 N ATOM 1022 NH2 ARG A 65 9.974 5.789 -14.069 1.00 0.00 N ATOM 0 H ARG A 65 4.587 1.251 -12.656 1.00 0.00 H new ATOM 0 HA ARG A 65 5.325 2.641 -10.388 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.845 3.856 -11.885 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.813 2.149 -12.279 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.235 2.623 -14.152 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.307 4.332 -13.767 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.668 2.597 -14.598 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.838 3.752 -15.622 1.00 0.00 H new ATOM 0 HE ARG A 65 7.651 5.226 -13.380 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.167 3.257 -15.886 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.679 4.171 -15.853 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.595 6.396 -13.342 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.920 5.941 -14.418 1.00 0.00 H new ATOM 1036 N PRO A 66 4.627 5.115 -10.505 1.00 0.00 N ATOM 1037 CA PRO A 66 5.815 4.932 -9.666 1.00 0.00 C ATOM 1038 C PRO A 66 5.592 3.906 -8.561 1.00 0.00 C ATOM 1039 O PRO A 66 6.492 3.625 -7.769 1.00 0.00 O ATOM 1040 CB PRO A 66 6.043 6.322 -9.067 1.00 0.00 C ATOM 1041 CG PRO A 66 4.700 6.967 -9.084 1.00 0.00 C ATOM 1042 CD PRO A 66 3.999 6.431 -10.302 1.00 0.00 C ATOM 0 HA PRO A 66 6.663 4.554 -10.237 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.438 6.256 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.764 6.892 -9.653 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.142 6.732 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.789 8.052 -9.131 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.925 6.343 -10.141 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.140 7.081 -11.166 1.00 0.00 H new ATOM 1050 N PHE A 67 4.387 3.347 -8.513 1.00 0.00 N ATOM 1051 CA PHE A 67 4.046 2.351 -7.504 1.00 0.00 C ATOM 1052 C PHE A 67 4.256 0.939 -8.041 1.00 0.00 C ATOM 1053 O PHE A 67 3.686 0.560 -9.064 1.00 0.00 O ATOM 1054 CB PHE A 67 2.594 2.527 -7.054 1.00 0.00 C ATOM 1055 CG PHE A 67 2.425 3.538 -5.956 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.119 3.408 -4.764 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.571 4.618 -6.116 1.00 0.00 C ATOM 1058 CE1 PHE A 67 2.966 4.336 -3.751 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.415 5.549 -5.107 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.112 5.408 -3.923 1.00 0.00 C ATOM 0 H PHE A 67 3.631 3.567 -9.161 1.00 0.00 H new ATOM 0 HA PHE A 67 4.705 2.497 -6.648 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.991 2.828 -7.910 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.208 1.566 -6.714 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.788 2.571 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.022 4.733 -7.039 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.513 4.223 -2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.748 6.387 -5.244 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.990 6.134 -3.133 1.00 0.00 H new ATOM 1070 N SER A 68 5.080 0.163 -7.343 1.00 0.00 N ATOM 1071 CA SER A 68 5.370 -1.206 -7.751 1.00 0.00 C ATOM 1072 C SER A 68 5.852 -2.036 -6.565 1.00 0.00 C ATOM 1073 O SER A 68 6.869 -1.722 -5.946 1.00 0.00 O ATOM 1074 CB SER A 68 6.425 -1.218 -8.858 1.00 0.00 C ATOM 1075 OG SER A 68 6.060 -0.355 -9.921 1.00 0.00 O ATOM 0 H SER A 68 5.558 0.460 -6.492 1.00 0.00 H new ATOM 0 HA SER A 68 4.449 -1.648 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.388 -0.910 -8.450 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.549 -2.233 -9.236 1.00 0.00 H new ATOM 0 HG SER A 68 5.090 -0.214 -9.909 1.00 0.00 H new ATOM 1081 N ILE A 69 5.113 -3.096 -6.253 1.00 0.00 N ATOM 1082 CA ILE A 69 5.465 -3.972 -5.143 1.00 0.00 C ATOM 1083 C ILE A 69 5.876 -5.353 -5.641 1.00 0.00 C ATOM 1084 O ILE A 69 5.597 -5.721 -6.781 1.00 0.00 O ATOM 1085 CB ILE A 69 4.295 -4.123 -4.153 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.410 -5.305 -4.552 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.480 -2.839 -4.096 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.763 -5.144 -5.910 1.00 0.00 C ATOM 0 H ILE A 69 4.267 -3.368 -6.754 1.00 0.00 H new ATOM 0 HA ILE A 69 6.307 -3.508 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 69 4.701 -4.317 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.010 -6.215 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.631 -5.435 -3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.657 -2.961 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.118 -2.018 -3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.081 -2.617 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.150 -6.019 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.136 -4.253 -5.911 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.536 -5.044 -6.672 1.00 0.00 H new ATOM 1100 N GLU A 70 6.540 -6.114 -4.776 1.00 0.00 N ATOM 1101 CA GLU A 70 6.989 -7.456 -5.129 1.00 0.00 C ATOM 1102 C GLU A 70 7.220 -8.299 -3.878 1.00 0.00 C ATOM 1103 O GLU A 70 7.757 -7.831 -2.874 1.00 0.00 O ATOM 1104 CB GLU A 70 8.275 -7.387 -5.955 1.00 0.00 C ATOM 1105 CG GLU A 70 9.204 -8.569 -5.734 1.00 0.00 C ATOM 1106 CD GLU A 70 10.090 -8.847 -6.933 1.00 0.00 C ATOM 1107 OE1 GLU A 70 9.603 -8.706 -8.075 1.00 0.00 O ATOM 1108 OE2 GLU A 70 11.269 -9.205 -6.731 1.00 0.00 O ATOM 0 H GLU A 70 6.778 -5.825 -3.827 1.00 0.00 H new ATOM 0 HA GLU A 70 6.208 -7.928 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.015 -7.332 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.806 -6.467 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.829 -8.377 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.611 -9.456 -5.512 1.00 0.00 H new ATOM 1115 N PRO A 71 6.804 -9.573 -3.938 1.00 0.00 N ATOM 1116 CA PRO A 71 6.163 -10.141 -5.128 1.00 0.00 C ATOM 1117 C PRO A 71 4.768 -9.572 -5.363 1.00 0.00 C ATOM 1118 O PRO A 71 4.060 -9.228 -4.416 1.00 0.00 O ATOM 1119 CB PRO A 71 6.084 -11.636 -4.809 1.00 0.00 C ATOM 1120 CG PRO A 71 6.079 -11.706 -3.321 1.00 0.00 C ATOM 1121 CD PRO A 71 6.927 -10.557 -2.850 1.00 0.00 C ATOM 0 HA PRO A 71 6.719 -9.914 -6.038 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.183 -12.083 -5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.933 -12.176 -5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.065 -11.628 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.483 -12.657 -2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.568 -10.155 -1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.963 -10.859 -2.697 1.00 0.00 H new ATOM 1129 N ALA A 72 4.379 -9.475 -6.630 1.00 0.00 N ATOM 1130 CA ALA A 72 3.067 -8.950 -6.988 1.00 0.00 C ATOM 1131 C ALA A 72 1.956 -9.892 -6.536 1.00 0.00 C ATOM 1132 O ALA A 72 0.835 -9.460 -6.265 1.00 0.00 O ATOM 1133 CB ALA A 72 2.984 -8.715 -8.489 1.00 0.00 C ATOM 0 H ALA A 72 4.954 -9.753 -7.426 1.00 0.00 H new ATOM 0 HA ALA A 72 2.932 -7.998 -6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.999 -8.323 -8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.748 -7.997 -8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.146 -9.656 -9.014 1.00 0.00 H new ATOM 1139 N ILE A 73 2.274 -11.180 -6.458 1.00 0.00 N ATOM 1140 CA ILE A 73 1.303 -12.182 -6.039 1.00 0.00 C ATOM 1141 C ILE A 73 1.928 -13.184 -5.074 1.00 0.00 C ATOM 1142 O ILE A 73 3.127 -13.453 -5.132 1.00 0.00 O ATOM 1143 CB ILE A 73 0.722 -12.942 -7.246 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.326 -13.956 -6.781 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.833 -13.637 -8.019 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.093 -14.596 -7.917 1.00 0.00 C ATOM 0 H ILE A 73 3.197 -11.554 -6.680 1.00 0.00 H new ATOM 0 HA ILE A 73 0.498 -11.649 -5.534 1.00 0.00 H new ATOM 0 HB ILE A 73 0.238 -12.225 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.167 -14.736 -6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.029 -13.459 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.407 -14.170 -8.869 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.547 -12.895 -8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.343 -14.345 -7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.818 -15.303 -7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.615 -13.825 -8.484 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.400 -15.122 -8.573 1.00 0.00 H new ATOM 1158 N GLY A 74 1.106 -13.737 -4.188 1.00 0.00 N ATOM 1159 CA GLY A 74 1.595 -14.705 -3.224 1.00 0.00 C ATOM 1160 C GLY A 74 0.474 -15.384 -2.463 1.00 0.00 C ATOM 1161 O GLY A 74 -0.690 -15.001 -2.584 1.00 0.00 O ATOM 0 H GLY A 74 0.109 -13.532 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.188 -15.460 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.259 -14.206 -2.518 1.00 0.00 H new ATOM 1165 N THR A 75 0.823 -16.398 -1.678 1.00 0.00 N ATOM 1166 CA THR A 75 -0.163 -17.135 -0.897 1.00 0.00 C ATOM 1167 C THR A 75 0.321 -17.356 0.532 1.00 0.00 C ATOM 1168 O THR A 75 1.464 -17.755 0.757 1.00 0.00 O ATOM 1169 CB THR A 75 -0.479 -18.500 -1.536 1.00 0.00 C ATOM 1170 OG1 THR A 75 0.737 -19.194 -1.838 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.298 -18.327 -2.806 1.00 0.00 C ATOM 0 H THR A 75 1.782 -16.728 -1.566 1.00 0.00 H new ATOM 0 HA THR A 75 -1.070 -16.530 -0.881 1.00 0.00 H new ATOM 0 HB THR A 75 -1.062 -19.083 -0.823 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.527 -20.062 -2.242 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.509 -19.305 -3.239 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.236 -17.826 -2.568 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.737 -17.726 -3.522 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.556 -17.094 1.495 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.218 -17.265 2.904 1.00 0.00 C ATOM 1181 C LEU A 76 -1.141 -18.284 3.565 1.00 0.00 C ATOM 1182 O LEU A 76 -2.283 -18.465 3.147 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.311 -15.926 3.637 1.00 0.00 C ATOM 1184 CG LEU A 76 0.261 -15.895 5.054 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.736 -16.265 5.042 1.00 0.00 C ATOM 1186 CD2 LEU A 76 0.059 -14.524 5.682 1.00 0.00 C ATOM 0 H LEU A 76 -1.506 -16.763 1.326 1.00 0.00 H new ATOM 0 HA LEU A 76 0.805 -17.635 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.205 -15.172 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.360 -15.632 3.684 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.273 -16.630 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.126 -16.238 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.856 -17.269 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.284 -15.554 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.473 -14.521 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.566 -13.770 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.006 -14.297 5.726 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.636 -18.947 4.601 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.415 -19.947 5.321 1.00 0.00 C ATOM 1200 C ASN A 77 -1.780 -19.451 6.717 1.00 0.00 C ATOM 1201 O ASN A 77 -1.122 -18.566 7.265 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.632 -21.258 5.423 1.00 0.00 C ATOM 1203 CG ASN A 77 0.868 -21.037 5.408 1.00 0.00 C ATOM 1204 OD1 ASN A 77 1.365 -20.039 5.929 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.597 -21.972 4.809 1.00 0.00 N ATOM 0 H ASN A 77 0.309 -18.809 4.960 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.336 -20.123 4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -0.911 -21.775 6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.909 -21.909 4.594 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.612 -21.879 4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.142 -22.783 4.390 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.834 -20.026 7.287 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.287 -19.644 8.619 1.00 0.00 C ATOM 1214 C VAL A 78 -2.203 -19.897 9.661 1.00 0.00 C ATOM 1215 O VAL A 78 -1.413 -20.832 9.536 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.560 -20.412 9.021 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.099 -19.895 10.347 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -5.614 -20.304 7.930 1.00 0.00 C ATOM 0 H VAL A 78 -3.391 -20.759 6.847 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.511 -18.578 8.584 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.305 -21.464 9.145 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.998 -20.449 10.615 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.345 -20.029 11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.340 -18.836 10.254 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.507 -20.852 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.868 -19.256 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.224 -20.726 7.004 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.172 -19.057 10.692 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.182 -19.207 11.742 1.00 0.00 C ATOM 1230 C GLY A 79 0.230 -18.963 11.246 1.00 0.00 C ATOM 1231 O GLY A 79 1.188 -19.510 11.789 1.00 0.00 O ATOM 0 H GLY A 79 -2.815 -18.275 10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.405 -18.511 12.550 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.249 -20.212 12.159 1.00 0.00 H new ATOM 1235 N GLU A 80 0.357 -18.139 10.211 1.00 0.00 N ATOM 1236 CA GLU A 80 1.663 -17.826 9.641 1.00 0.00 C ATOM 1237 C GLU A 80 1.670 -16.424 9.037 1.00 0.00 C ATOM 1238 O GLU A 80 0.668 -15.968 8.486 1.00 0.00 O ATOM 1239 CB GLU A 80 2.038 -18.855 8.573 1.00 0.00 C ATOM 1240 CG GLU A 80 2.048 -20.286 9.084 1.00 0.00 C ATOM 1241 CD GLU A 80 3.268 -20.596 9.929 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.362 -20.093 9.598 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.128 -21.341 10.922 1.00 0.00 O ATOM 0 H GLU A 80 -0.427 -17.677 9.750 1.00 0.00 H new ATOM 0 HA GLU A 80 2.400 -17.862 10.444 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.334 -18.779 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.024 -18.612 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.148 -20.464 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.014 -20.971 8.236 1.00 0.00 H new ATOM 1250 N SER A 81 2.809 -15.746 9.145 1.00 0.00 N ATOM 1251 CA SER A 81 2.947 -14.395 8.613 1.00 0.00 C ATOM 1252 C SER A 81 4.049 -14.336 7.560 1.00 0.00 C ATOM 1253 O SER A 81 4.840 -15.268 7.421 1.00 0.00 O ATOM 1254 CB SER A 81 3.251 -13.409 9.743 1.00 0.00 C ATOM 1255 OG SER A 81 2.413 -13.641 10.862 1.00 0.00 O ATOM 0 H SER A 81 3.649 -16.110 9.596 1.00 0.00 H new ATOM 0 HA SER A 81 2.004 -14.117 8.142 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.295 -13.503 10.041 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.112 -12.388 9.386 1.00 0.00 H new ATOM 0 HG SER A 81 2.628 -12.999 11.571 1.00 0.00 H new ATOM 1261 N MET A 82 4.094 -13.232 6.822 1.00 0.00 N ATOM 1262 CA MET A 82 5.100 -13.049 5.782 1.00 0.00 C ATOM 1263 C MET A 82 5.409 -11.569 5.578 1.00 0.00 C ATOM 1264 O MET A 82 4.696 -10.703 6.083 1.00 0.00 O ATOM 1265 CB MET A 82 4.623 -13.668 4.467 1.00 0.00 C ATOM 1266 CG MET A 82 3.432 -12.950 3.853 1.00 0.00 C ATOM 1267 SD MET A 82 2.672 -13.886 2.513 1.00 0.00 S ATOM 1268 CE MET A 82 3.104 -12.869 1.103 1.00 0.00 C ATOM 0 H MET A 82 3.446 -12.451 6.925 1.00 0.00 H new ATOM 0 HA MET A 82 6.013 -13.552 6.102 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.447 -13.664 3.753 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.358 -14.711 4.641 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.688 -12.762 4.627 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.753 -11.979 3.476 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.945 -13.434 0.185 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.479 -11.976 1.093 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.152 -12.577 1.172 1.00 0.00 H new ATOM 1278 N GLN A 83 6.475 -11.288 4.836 1.00 0.00 N ATOM 1279 CA GLN A 83 6.878 -9.913 4.568 1.00 0.00 C ATOM 1280 C GLN A 83 6.697 -9.571 3.092 1.00 0.00 C ATOM 1281 O GLN A 83 7.040 -10.364 2.214 1.00 0.00 O ATOM 1282 CB GLN A 83 8.335 -9.696 4.979 1.00 0.00 C ATOM 1283 CG GLN A 83 8.505 -9.327 6.444 1.00 0.00 C ATOM 1284 CD GLN A 83 9.874 -8.749 6.745 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.868 -9.121 6.121 1.00 0.00 O ATOM 1286 NE2 GLN A 83 9.932 -7.834 7.705 1.00 0.00 N ATOM 0 H GLN A 83 7.075 -11.994 4.410 1.00 0.00 H new ATOM 0 HA GLN A 83 6.241 -9.253 5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.901 -10.605 4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.764 -8.907 4.362 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.740 -8.603 6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.346 -10.213 7.059 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.083 -7.556 8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.826 -7.409 7.951 1.00 0.00 H new ATOM 1295 N LEU A 84 6.156 -8.387 2.826 1.00 0.00 N ATOM 1296 CA LEU A 84 5.929 -7.940 1.456 1.00 0.00 C ATOM 1297 C LEU A 84 6.679 -6.641 1.176 1.00 0.00 C ATOM 1298 O LEU A 84 6.487 -5.642 1.868 1.00 0.00 O ATOM 1299 CB LEU A 84 4.433 -7.743 1.204 1.00 0.00 C ATOM 1300 CG LEU A 84 3.591 -9.018 1.134 1.00 0.00 C ATOM 1301 CD1 LEU A 84 2.113 -8.676 1.035 1.00 0.00 C ATOM 1302 CD2 LEU A 84 4.022 -9.877 -0.046 1.00 0.00 C ATOM 0 H LEU A 84 5.866 -7.719 3.541 1.00 0.00 H new ATOM 0 HA LEU A 84 6.306 -8.709 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.032 -7.109 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.311 -7.199 0.267 1.00 0.00 H new ATOM 0 HG LEU A 84 3.751 -9.587 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.529 -9.595 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.813 -8.102 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.936 -8.085 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.412 -10.780 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.892 -9.316 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.071 -10.151 0.068 1.00 0.00 H new ATOM 1314 N GLU A 85 7.531 -6.664 0.156 1.00 0.00 N ATOM 1315 CA GLU A 85 8.307 -5.487 -0.216 1.00 0.00 C ATOM 1316 C GLU A 85 7.505 -4.575 -1.140 1.00 0.00 C ATOM 1317 O GLU A 85 6.924 -5.029 -2.126 1.00 0.00 O ATOM 1318 CB GLU A 85 9.612 -5.904 -0.899 1.00 0.00 C ATOM 1319 CG GLU A 85 10.706 -6.310 0.075 1.00 0.00 C ATOM 1320 CD GLU A 85 11.848 -7.042 -0.603 1.00 0.00 C ATOM 1321 OE1 GLU A 85 12.017 -6.873 -1.829 1.00 0.00 O ATOM 1322 OE2 GLU A 85 12.573 -7.783 0.093 1.00 0.00 O ATOM 0 H GLU A 85 7.701 -7.484 -0.427 1.00 0.00 H new ATOM 0 HA GLU A 85 8.542 -4.936 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.410 -6.737 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.971 -5.078 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.093 -5.421 0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.280 -6.947 0.850 1.00 0.00 H new ATOM 1329 N VAL A 86 7.478 -3.287 -0.813 1.00 0.00 N ATOM 1330 CA VAL A 86 6.748 -2.311 -1.614 1.00 0.00 C ATOM 1331 C VAL A 86 7.671 -1.198 -2.098 1.00 0.00 C ATOM 1332 O VAL A 86 8.170 -0.402 -1.302 1.00 0.00 O ATOM 1333 CB VAL A 86 5.586 -1.689 -0.817 1.00 0.00 C ATOM 1334 CG1 VAL A 86 5.055 -0.452 -1.525 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.478 -2.710 -0.609 1.00 0.00 C ATOM 0 H VAL A 86 7.953 -2.895 0.000 1.00 0.00 H new ATOM 0 HA VAL A 86 6.344 -2.845 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 86 5.960 -1.386 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.235 -0.026 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.853 0.284 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.696 -0.726 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.665 -2.254 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.105 -3.044 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.869 -3.564 -0.056 1.00 0.00 H new ATOM 1345 N GLU A 87 7.892 -1.148 -3.408 1.00 0.00 N ATOM 1346 CA GLU A 87 8.755 -0.131 -3.998 1.00 0.00 C ATOM 1347 C GLU A 87 7.930 1.021 -4.564 1.00 0.00 C ATOM 1348 O GLU A 87 6.885 0.808 -5.179 1.00 0.00 O ATOM 1349 CB GLU A 87 9.621 -0.743 -5.101 1.00 0.00 C ATOM 1350 CG GLU A 87 10.830 0.102 -5.465 1.00 0.00 C ATOM 1351 CD GLU A 87 11.375 -0.223 -6.842 1.00 0.00 C ATOM 1352 OE1 GLU A 87 11.397 -1.418 -7.204 1.00 0.00 O ATOM 1353 OE2 GLU A 87 11.779 0.718 -7.558 1.00 0.00 O ATOM 0 H GLU A 87 7.486 -1.799 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 87 9.402 0.260 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.960 -1.728 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.010 -0.890 -5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.557 1.156 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.613 -0.052 -4.723 1.00 0.00 H new ATOM 1360 N PHE A 88 8.408 2.243 -4.351 1.00 0.00 N ATOM 1361 CA PHE A 88 7.715 3.430 -4.838 1.00 0.00 C ATOM 1362 C PHE A 88 8.683 4.599 -4.995 1.00 0.00 C ATOM 1363 O PHE A 88 9.124 5.188 -4.009 1.00 0.00 O ATOM 1364 CB PHE A 88 6.583 3.814 -3.883 1.00 0.00 C ATOM 1365 CG PHE A 88 6.221 5.271 -3.938 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.426 5.763 -4.960 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.676 6.148 -2.967 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.090 7.102 -5.014 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.343 7.489 -3.014 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.551 7.967 -4.040 1.00 0.00 C ATOM 0 H PHE A 88 9.272 2.437 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 88 7.292 3.198 -5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.701 3.219 -4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.875 3.559 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.064 5.091 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.298 5.780 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.468 7.472 -5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.702 8.162 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.293 9.015 -4.081 1.00 0.00 H new ATOM 1380 N GLU A 89 9.008 4.928 -6.241 1.00 0.00 N ATOM 1381 CA GLU A 89 9.924 6.026 -6.527 1.00 0.00 C ATOM 1382 C GLU A 89 9.249 7.088 -7.389 1.00 0.00 C ATOM 1383 O GLU A 89 9.098 6.936 -8.601 1.00 0.00 O ATOM 1384 CB GLU A 89 11.178 5.502 -7.231 1.00 0.00 C ATOM 1385 CG GLU A 89 12.142 6.599 -7.652 1.00 0.00 C ATOM 1386 CD GLU A 89 13.155 6.124 -8.676 1.00 0.00 C ATOM 1387 OE1 GLU A 89 13.207 4.903 -8.935 1.00 0.00 O ATOM 1388 OE2 GLU A 89 13.894 6.971 -9.217 1.00 0.00 O ATOM 0 H GLU A 89 8.651 4.450 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 89 10.211 6.482 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.696 4.810 -6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.879 4.934 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.577 7.435 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.667 6.973 -6.773 1.00 0.00 H new ATOM 1395 N PRO A 90 8.832 8.191 -6.750 1.00 0.00 N ATOM 1396 CA PRO A 90 8.166 9.301 -7.438 1.00 0.00 C ATOM 1397 C PRO A 90 9.115 10.070 -8.350 1.00 0.00 C ATOM 1398 O PRO A 90 10.325 9.852 -8.326 1.00 0.00 O ATOM 1399 CB PRO A 90 7.686 10.193 -6.290 1.00 0.00 C ATOM 1400 CG PRO A 90 8.612 9.891 -5.163 1.00 0.00 C ATOM 1401 CD PRO A 90 8.978 8.440 -5.306 1.00 0.00 C ATOM 0 HA PRO A 90 7.364 8.954 -8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.727 11.247 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.652 9.973 -6.023 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.499 10.523 -5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.132 10.080 -4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.995 8.247 -4.966 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.319 7.800 -4.719 1.00 0.00 H new ATOM 1409 N GLN A 91 8.556 10.971 -9.153 1.00 0.00 N ATOM 1410 CA GLN A 91 9.355 11.772 -10.073 1.00 0.00 C ATOM 1411 C GLN A 91 9.240 13.257 -9.742 1.00 0.00 C ATOM 1412 O GLN A 91 10.211 14.005 -9.856 1.00 0.00 O ATOM 1413 CB GLN A 91 8.911 11.523 -11.516 1.00 0.00 C ATOM 1414 CG GLN A 91 9.629 10.360 -12.181 1.00 0.00 C ATOM 1415 CD GLN A 91 11.080 10.672 -12.492 1.00 0.00 C ATOM 1416 OE1 GLN A 91 11.948 10.501 -11.502 1.00 0.00 O flip ATOM 1417 NE2 GLN A 91 11.417 11.061 -13.611 1.00 0.00 N flip ATOM 0 H GLN A 91 7.555 11.164 -9.185 1.00 0.00 H new ATOM 0 HA GLN A 91 10.398 11.474 -9.964 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.838 11.332 -11.529 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.081 12.427 -12.101 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.580 9.487 -11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.112 10.098 -13.104 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.716 11.179 -14.343 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.397 11.266 -13.806 1.00 0.00 H new ATOM 1426 N SER A 92 8.047 13.676 -9.332 1.00 0.00 N ATOM 1427 CA SER A 92 7.805 15.073 -8.989 1.00 0.00 C ATOM 1428 C SER A 92 7.843 15.275 -7.477 1.00 0.00 C ATOM 1429 O SER A 92 7.682 14.327 -6.708 1.00 0.00 O ATOM 1430 CB SER A 92 6.453 15.528 -9.542 1.00 0.00 C ATOM 1431 OG SER A 92 6.573 15.965 -10.885 1.00 0.00 O ATOM 0 H SER A 92 7.234 13.069 -9.229 1.00 0.00 H new ATOM 0 HA SER A 92 8.595 15.675 -9.438 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.738 14.707 -9.486 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.058 16.337 -8.927 1.00 0.00 H new ATOM 0 HG SER A 92 5.695 16.249 -11.216 1.00 0.00 H new ATOM 1437 N VAL A 93 8.056 16.518 -7.058 1.00 0.00 N ATOM 1438 CA VAL A 93 8.114 16.847 -5.639 1.00 0.00 C ATOM 1439 C VAL A 93 6.753 17.300 -5.123 1.00 0.00 C ATOM 1440 O VAL A 93 6.130 18.197 -5.691 1.00 0.00 O ATOM 1441 CB VAL A 93 9.151 17.952 -5.360 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.173 18.302 -3.881 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.530 17.520 -5.836 1.00 0.00 C ATOM 0 H VAL A 93 8.191 17.314 -7.681 1.00 0.00 H new ATOM 0 HA VAL A 93 8.413 15.939 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 93 8.864 18.845 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.911 19.084 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.188 18.656 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.435 17.417 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.250 18.312 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.829 16.613 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.500 17.325 -6.908 1.00 0.00 H new ATOM 1453 N GLY A 94 6.297 16.675 -4.043 1.00 0.00 N ATOM 1454 CA GLY A 94 5.012 17.028 -3.468 1.00 0.00 C ATOM 1455 C GLY A 94 4.387 15.882 -2.697 1.00 0.00 C ATOM 1456 O GLY A 94 4.911 15.459 -1.667 1.00 0.00 O ATOM 0 H GLY A 94 6.794 15.930 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.137 17.883 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.335 17.339 -4.263 1.00 0.00 H new ATOM 1460 N ASP A 95 3.263 15.380 -3.195 1.00 0.00 N ATOM 1461 CA ASP A 95 2.564 14.276 -2.546 1.00 0.00 C ATOM 1462 C ASP A 95 2.008 13.302 -3.580 1.00 0.00 C ATOM 1463 O ASP A 95 1.464 13.712 -4.605 1.00 0.00 O ATOM 1464 CB ASP A 95 1.431 14.808 -1.667 1.00 0.00 C ATOM 1465 CG ASP A 95 0.531 15.777 -2.407 1.00 0.00 C ATOM 1466 OD1 ASP A 95 1.035 16.823 -2.868 1.00 0.00 O ATOM 1467 OD2 ASP A 95 -0.679 15.490 -2.526 1.00 0.00 O ATOM 0 H ASP A 95 2.816 15.720 -4.046 1.00 0.00 H new ATOM 0 HA ASP A 95 3.280 13.743 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.836 13.972 -1.300 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.855 15.304 -0.794 1.00 0.00 H new ATOM 1472 N HIS A 96 2.151 12.009 -3.304 1.00 0.00 N ATOM 1473 CA HIS A 96 1.663 10.976 -4.210 1.00 0.00 C ATOM 1474 C HIS A 96 0.822 9.948 -3.459 1.00 0.00 C ATOM 1475 O HIS A 96 1.352 9.115 -2.725 1.00 0.00 O ATOM 1476 CB HIS A 96 2.835 10.283 -4.905 1.00 0.00 C ATOM 1477 CG HIS A 96 3.602 11.182 -5.825 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.252 11.385 -7.143 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.706 11.935 -5.611 1.00 0.00 C ATOM 1480 CE1 HIS A 96 4.108 12.223 -7.700 1.00 0.00 C ATOM 1481 NE2 HIS A 96 5.001 12.572 -6.791 1.00 0.00 N ATOM 0 H HIS A 96 2.601 11.653 -2.461 1.00 0.00 H new ATOM 0 HA HIS A 96 1.035 11.454 -4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.513 9.887 -4.149 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.459 9.432 -5.472 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.253 12.019 -4.684 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.082 12.565 -8.724 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.782 13.210 -6.941 1.00 0.00 H new ATOM 1490 N SER A 97 -0.492 10.014 -3.649 1.00 0.00 N ATOM 1491 CA SER A 97 -1.407 9.092 -2.986 1.00 0.00 C ATOM 1492 C SER A 97 -2.022 8.121 -3.990 1.00 0.00 C ATOM 1493 O SER A 97 -2.580 8.532 -5.006 1.00 0.00 O ATOM 1494 CB SER A 97 -2.513 9.866 -2.266 1.00 0.00 C ATOM 1495 OG SER A 97 -3.156 10.773 -3.146 1.00 0.00 O ATOM 0 H SER A 97 -0.947 10.696 -4.256 1.00 0.00 H new ATOM 0 HA SER A 97 -0.838 8.519 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.245 9.168 -1.860 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.090 10.411 -1.422 1.00 0.00 H new ATOM 0 HG SER A 97 -3.141 10.411 -4.057 1.00 0.00 H new ATOM 1501 N GLY A 98 -1.914 6.829 -3.696 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.463 5.818 -4.581 1.00 0.00 C ATOM 1503 C GLY A 98 -3.241 4.754 -3.834 1.00 0.00 C ATOM 1504 O GLY A 98 -3.846 5.030 -2.799 1.00 0.00 O ATOM 0 H GLY A 98 -1.456 6.464 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.116 6.295 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.652 5.348 -5.137 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.228 3.534 -4.361 1.00 0.00 N ATOM 1509 CA ARG A 99 -3.941 2.425 -3.739 1.00 0.00 C ATOM 1510 C ARG A 99 -3.532 1.095 -4.366 1.00 0.00 C ATOM 1511 O ARG A 99 -3.125 1.043 -5.528 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.452 2.622 -3.875 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.038 1.990 -5.126 1.00 0.00 C ATOM 1514 CD ARG A 99 -7.285 2.726 -5.590 1.00 0.00 C ATOM 1515 NE ARG A 99 -7.879 2.107 -6.772 1.00 0.00 N ATOM 1516 CZ ARG A 99 -8.961 2.576 -7.383 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -9.564 3.665 -6.926 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -9.441 1.957 -8.454 1.00 0.00 N ATOM 0 H ARG A 99 -2.731 3.289 -5.217 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.678 2.404 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.945 2.200 -3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.672 3.690 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.293 1.997 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.283 0.947 -4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.017 2.742 -4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.032 3.763 -5.812 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.438 1.268 -7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.197 4.144 -6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.395 4.024 -7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.979 1.120 -8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.272 2.318 -8.922 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.642 0.022 -3.590 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.283 -1.308 -4.069 1.00 0.00 C ATOM 1534 C LEU A 100 -4.514 -2.205 -4.156 1.00 0.00 C ATOM 1535 O LEU A 100 -5.163 -2.485 -3.148 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.242 -1.941 -3.145 1.00 0.00 C ATOM 1537 CG LEU A 100 -0.906 -1.205 -3.036 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.146 -1.657 -1.799 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.071 -1.428 -4.289 1.00 0.00 C ATOM 0 H LEU A 100 -3.977 0.047 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.858 -1.205 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.672 -2.021 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.048 -2.956 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.108 -0.138 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.802 -1.122 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.739 -1.445 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.045 -2.728 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.876 -0.897 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.121 -2.494 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.612 -1.053 -5.158 1.00 0.00 H new ATOM 1551 N ILE A 101 -4.828 -2.654 -5.367 1.00 0.00 N ATOM 1552 CA ILE A 101 -5.978 -3.523 -5.585 1.00 0.00 C ATOM 1553 C ILE A 101 -5.572 -4.992 -5.552 1.00 0.00 C ATOM 1554 O ILE A 101 -4.970 -5.502 -6.497 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.664 -3.221 -6.930 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.083 -1.751 -6.995 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -7.869 -4.129 -7.125 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.388 -1.271 -8.397 1.00 0.00 C ATOM 0 H ILE A 101 -4.302 -2.430 -6.212 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.681 -3.325 -4.775 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.954 -3.413 -7.734 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.964 -1.605 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.288 -1.136 -6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.344 -3.904 -8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.545 -5.170 -7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.583 -3.965 -6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.678 -0.221 -8.367 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.502 -1.385 -9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.204 -1.861 -8.814 1.00 0.00 H new ATOM 1570 N VAL A 102 -5.906 -5.669 -4.458 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.579 -7.081 -4.303 1.00 0.00 C ATOM 1572 C VAL A 102 -6.681 -7.966 -4.874 1.00 0.00 C ATOM 1573 O VAL A 102 -7.833 -7.897 -4.443 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.357 -7.447 -2.823 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.827 -8.867 -2.698 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.409 -6.455 -2.166 1.00 0.00 C ATOM 0 H VAL A 102 -6.403 -5.262 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.655 -7.254 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.315 -7.396 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.676 -9.108 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.546 -9.563 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.878 -8.949 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.263 -6.728 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.449 -6.472 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.834 -5.453 -2.223 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.320 -8.798 -5.845 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.279 -9.698 -6.476 1.00 0.00 C ATOM 1588 C CYS A 103 -7.153 -11.109 -5.912 1.00 0.00 C ATOM 1589 O CYS A 103 -6.227 -11.845 -6.253 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.068 -9.720 -7.991 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.514 -10.267 -8.930 1.00 0.00 S ATOM 0 H CYS A 103 -5.371 -8.868 -6.212 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.282 -9.329 -6.261 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.790 -8.720 -8.323 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.229 -10.377 -8.221 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.238 -10.250 -10.200 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.090 -11.480 -5.046 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.081 -12.802 -4.430 1.00 0.00 C ATOM 1599 C TYR A 104 -8.454 -13.878 -5.445 1.00 0.00 C ATOM 1600 O TYR A 104 -8.965 -13.578 -6.525 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.050 -12.843 -3.247 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.508 -12.185 -1.998 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.064 -10.869 -2.018 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.441 -12.881 -0.797 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.568 -10.265 -0.879 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -7.948 -12.284 0.347 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.512 -10.976 0.301 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.020 -10.378 1.438 1.00 0.00 O ATOM 0 H TYR A 104 -8.865 -10.884 -4.755 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.071 -13.001 -4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -9.980 -12.351 -3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.294 -13.882 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.107 -10.308 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.780 -13.906 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.226 -9.241 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.904 -12.838 1.273 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.572 -10.633 2.207 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.196 -15.131 -5.091 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.506 -16.254 -5.969 1.00 0.00 C ATOM 1620 C ASP A 105 -10.006 -16.528 -5.991 1.00 0.00 C ATOM 1621 O ASP A 105 -10.580 -16.823 -7.040 1.00 0.00 O ATOM 1622 CB ASP A 105 -7.752 -17.506 -5.516 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.300 -18.771 -6.147 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -8.955 -18.671 -7.206 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -8.074 -19.861 -5.582 1.00 0.00 O ATOM 0 H ASP A 105 -7.773 -15.396 -4.202 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.188 -15.993 -6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.697 -17.404 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -7.811 -17.590 -4.431 1.00 0.00 H new ATOM 1630 N THR A 106 -10.638 -16.431 -4.825 1.00 0.00 N ATOM 1631 CA THR A 106 -12.071 -16.671 -4.710 1.00 0.00 C ATOM 1632 C THR A 106 -12.864 -15.678 -5.551 1.00 0.00 C ATOM 1633 O THR A 106 -13.845 -16.042 -6.198 1.00 0.00 O ATOM 1634 CB THR A 106 -12.540 -16.576 -3.246 1.00 0.00 C ATOM 1635 OG1 THR A 106 -13.961 -16.738 -3.175 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.146 -15.239 -2.637 1.00 0.00 C ATOM 0 H THR A 106 -10.179 -16.188 -3.947 1.00 0.00 H new ATOM 0 HA THR A 106 -12.253 -17.681 -5.078 1.00 0.00 H new ATOM 0 HB THR A 106 -12.055 -17.372 -2.680 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.251 -16.678 -2.241 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.488 -15.195 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.062 -15.132 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.606 -14.431 -3.206 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.432 -14.421 -5.538 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.114 -13.394 -6.305 1.00 0.00 C ATOM 1646 C GLY A 107 -13.386 -12.146 -5.489 1.00 0.00 C ATOM 1647 O GLY A 107 -14.454 -11.546 -5.601 1.00 0.00 O ATOM 0 H GLY A 107 -11.622 -14.095 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.510 -13.132 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.057 -13.791 -6.681 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.418 -11.756 -4.666 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.561 -10.572 -3.826 1.00 0.00 C ATOM 1653 C GLU A 108 -11.654 -9.446 -4.314 1.00 0.00 C ATOM 1654 O GLU A 108 -10.866 -9.626 -5.243 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.235 -10.910 -2.370 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.302 -11.748 -1.686 1.00 0.00 C ATOM 1657 CD GLU A 108 -14.649 -11.053 -1.639 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -14.677 -9.808 -1.741 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -15.674 -11.752 -1.501 1.00 0.00 O ATOM 0 H GLU A 108 -11.527 -12.242 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.596 -10.235 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.286 -11.445 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.100 -9.983 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.405 -12.697 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.981 -11.979 -0.670 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.772 -8.284 -3.682 1.00 0.00 N ATOM 1667 CA LYS A 109 -10.963 -7.127 -4.049 1.00 0.00 C ATOM 1668 C LYS A 109 -10.698 -6.242 -2.836 1.00 0.00 C ATOM 1669 O LYS A 109 -11.621 -5.874 -2.109 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.662 -6.317 -5.142 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.703 -5.585 -6.065 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.445 -4.703 -7.055 1.00 0.00 C ATOM 1673 CE LYS A 109 -10.672 -4.555 -8.357 1.00 0.00 C ATOM 1674 NZ LYS A 109 -11.579 -4.358 -9.521 1.00 0.00 N ATOM 0 H LYS A 109 -12.420 -8.118 -2.912 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.007 -7.488 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.285 -6.986 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.328 -5.592 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.021 -4.975 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.094 -6.309 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.427 -5.130 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.611 -3.720 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.990 -3.708 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.060 -5.443 -8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.014 -4.261 -10.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.213 -5.178 -9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.145 -3.497 -9.379 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.430 -5.902 -2.623 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.044 -5.057 -1.499 1.00 0.00 C ATOM 1690 C VAL A 110 -8.507 -3.714 -1.980 1.00 0.00 C ATOM 1691 O VAL A 110 -8.034 -3.591 -3.111 1.00 0.00 O ATOM 1692 CB VAL A 110 -7.977 -5.740 -0.624 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.589 -4.845 0.543 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.479 -7.088 -0.128 1.00 0.00 C ATOM 0 H VAL A 110 -8.653 -6.199 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.942 -4.894 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.088 -5.909 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -6.834 -5.345 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.186 -3.906 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.469 -4.641 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.713 -7.557 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.383 -6.944 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.701 -7.730 -0.981 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.582 -2.708 -1.115 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.103 -1.372 -1.452 1.00 0.00 C ATOM 1706 C PHE A 111 -7.284 -0.784 -0.307 1.00 0.00 C ATOM 1707 O PHE A 111 -7.799 -0.560 0.789 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.282 -0.452 -1.776 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.000 -0.822 -3.043 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -9.457 -0.510 -4.279 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.217 -1.482 -2.997 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -10.116 -0.848 -5.446 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -11.881 -1.823 -4.161 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.329 -1.507 -5.387 1.00 0.00 C ATOM 0 H PHE A 111 -8.970 -2.792 -0.175 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.462 -1.453 -2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.989 -0.475 -0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.921 0.573 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.508 0.003 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -11.652 -1.733 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -9.683 -0.597 -6.403 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -12.830 -2.336 -4.112 1.00 0.00 H new ATOM 0 HZ PHE A 111 -11.844 -1.774 -6.298 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.005 -0.535 -0.569 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.113 0.028 0.438 1.00 0.00 C ATOM 1726 C VAL A 112 -4.440 1.297 -0.073 1.00 0.00 C ATOM 1727 O VAL A 112 -3.487 1.237 -0.850 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.029 -0.983 0.856 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.052 -0.346 1.832 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.665 -2.226 1.460 1.00 0.00 C ATOM 0 H VAL A 112 -5.563 -0.714 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.727 0.270 1.306 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.474 -1.282 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.294 -1.076 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.572 0.511 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.589 -0.016 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.885 -2.930 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.246 -1.947 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.320 -2.693 0.725 1.00 0.00 H new ATOM 1740 N SER A 113 -4.941 2.445 0.370 1.00 0.00 N ATOM 1741 CA SER A 113 -4.390 3.730 -0.044 1.00 0.00 C ATOM 1742 C SER A 113 -2.885 3.782 0.205 1.00 0.00 C ATOM 1743 O SER A 113 -2.382 3.191 1.162 1.00 0.00 O ATOM 1744 CB SER A 113 -5.082 4.871 0.704 1.00 0.00 C ATOM 1745 OG SER A 113 -6.350 5.156 0.139 1.00 0.00 O ATOM 0 H SER A 113 -5.728 2.512 1.016 1.00 0.00 H new ATOM 0 HA SER A 113 -4.568 3.846 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.200 4.603 1.754 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.457 5.763 0.671 1.00 0.00 H new ATOM 0 HG SER A 113 -6.773 5.887 0.636 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.173 4.493 -0.661 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.725 4.623 -0.537 1.00 0.00 C ATOM 1753 C LEU A 114 -0.330 6.071 -0.266 1.00 0.00 C ATOM 1754 O LEU A 114 -1.156 6.979 -0.361 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.037 4.124 -1.809 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.185 2.633 -2.111 1.00 0.00 C ATOM 1757 CD1 LEU A 114 0.077 2.358 -3.583 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.757 1.816 -1.238 1.00 0.00 C ATOM 0 H LEU A 114 -2.574 4.989 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.401 4.013 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.431 4.687 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.026 4.356 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.209 2.336 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.033 1.291 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.638 2.914 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.090 2.671 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.638 0.757 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.786 2.116 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.522 1.989 -0.188 1.00 0.00 H new ATOM 1770 N TYR A 115 0.938 6.280 0.071 1.00 0.00 N ATOM 1771 CA TYR A 115 1.443 7.618 0.356 1.00 0.00 C ATOM 1772 C TYR A 115 2.949 7.692 0.124 1.00 0.00 C ATOM 1773 O TYR A 115 3.610 6.673 -0.070 1.00 0.00 O ATOM 1774 CB TYR A 115 1.117 8.012 1.797 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.069 8.943 1.917 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.012 10.262 1.489 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.270 8.502 2.458 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -1.069 11.115 1.597 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.357 9.348 2.569 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.251 10.653 2.138 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.331 11.500 2.246 1.00 0.00 O ATOM 0 H TYR A 115 1.635 5.540 0.153 1.00 0.00 H new ATOM 0 HA TYR A 115 0.954 8.316 -0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.920 7.110 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.990 8.491 2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.936 10.627 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.356 7.480 2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.989 12.138 1.260 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.284 8.989 2.991 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.085 11.019 2.647 1.00 0.00 H new ATOM 1791 N GLY A 116 3.485 8.909 0.147 1.00 0.00 N ATOM 1792 CA GLY A 116 4.909 9.096 -0.061 1.00 0.00 C ATOM 1793 C GLY A 116 5.275 10.548 -0.294 1.00 0.00 C ATOM 1794 O GLY A 116 5.762 10.908 -1.366 1.00 0.00 O ATOM 0 H GLY A 116 2.959 9.768 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.452 8.722 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.229 8.502 -0.917 1.00 0.00 H new ATOM 1798 N ALA A 117 5.039 11.385 0.710 1.00 0.00 N ATOM 1799 CA ALA A 117 5.347 12.806 0.609 1.00 0.00 C ATOM 1800 C ALA A 117 6.787 13.025 0.158 1.00 0.00 C ATOM 1801 O ALA A 117 7.722 12.899 0.949 1.00 0.00 O ATOM 1802 CB ALA A 117 5.100 13.496 1.943 1.00 0.00 C ATOM 0 H ALA A 117 4.635 11.104 1.603 1.00 0.00 H new ATOM 0 HA ALA A 117 4.688 13.242 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.334 14.557 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.054 13.378 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.735 13.048 2.707 1.00 0.00 H new ATOM 1808 N ALA A 118 6.959 13.352 -1.119 1.00 0.00 N ATOM 1809 CA ALA A 118 8.286 13.589 -1.675 1.00 0.00 C ATOM 1810 C ALA A 118 8.711 15.041 -1.481 1.00 0.00 C ATOM 1811 O ALA A 118 7.889 15.954 -1.565 1.00 0.00 O ATOM 1812 CB ALA A 118 8.313 13.221 -3.151 1.00 0.00 C ATOM 0 H ALA A 118 6.196 13.459 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 118 8.995 12.956 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.310 13.403 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.061 12.167 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.587 13.829 -3.691 1.00 0.00 H new ATOM 1818 N ILE A 119 9.997 15.246 -1.221 1.00 0.00 N ATOM 1819 CA ILE A 119 10.530 16.587 -1.016 1.00 0.00 C ATOM 1820 C ILE A 119 11.719 16.853 -1.934 1.00 0.00 C ATOM 1821 O ILE A 119 12.499 15.949 -2.234 1.00 0.00 O ATOM 1822 CB ILE A 119 10.967 16.802 0.445 1.00 0.00 C ATOM 1823 CG1 ILE A 119 11.957 15.716 0.870 1.00 0.00 C ATOM 1824 CG2 ILE A 119 9.754 16.809 1.365 1.00 0.00 C ATOM 1825 CD1 ILE A 119 12.960 16.183 1.901 1.00 0.00 C ATOM 0 H ILE A 119 10.690 14.501 -1.147 1.00 0.00 H new ATOM 0 HA ILE A 119 9.727 17.285 -1.253 1.00 0.00 H new ATOM 0 HB ILE A 119 11.463 17.770 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 119 11.403 14.868 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.492 15.359 -0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.079 16.962 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.081 17.615 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.233 15.855 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 119 13.630 15.361 2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.540 17.012 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 119 12.434 16.513 2.797 1.00 0.00 H new ATOM 1837 N ASP A 120 11.851 18.098 -2.375 1.00 0.00 N ATOM 1838 CA ASP A 120 12.946 18.485 -3.257 1.00 0.00 C ATOM 1839 C ASP A 120 14.285 18.008 -2.702 1.00 0.00 C ATOM 1840 O ASP A 120 15.282 17.954 -3.421 1.00 0.00 O ATOM 1841 CB ASP A 120 12.968 20.003 -3.443 1.00 0.00 C ATOM 1842 CG ASP A 120 13.856 20.697 -2.430 1.00 0.00 C ATOM 1843 OD1 ASP A 120 13.672 20.459 -1.218 1.00 0.00 O ATOM 1844 OD2 ASP A 120 14.735 21.480 -2.849 1.00 0.00 O ATOM 0 H ASP A 120 11.213 18.857 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 120 12.785 18.011 -4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.317 20.238 -4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 120 11.953 20.391 -3.359 1.00 0.00 H new