USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 28 THR OG1 : rot 35:sc= 0.232 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 103:sc= 0.299 USER MOD Single : A 40 THR OG1 : rot -69:sc= -0.916 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 35:sc= 0.85 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0679 K(o=-0.068,f=-1.1!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 57 ASN : amide:sc= -1.97 X(o=-2,f=-1.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -68:sc= 1.37 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.884 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 118:sc= -0.219! USER MOD Single : A 79 ASN : amide:sc=-0.00875 K(o=-0.0087,f=-1) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -89:sc= 0.131! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.770 2.759 -1.008 1.00 0.00 N ATOM 325 CA THR A 28 7.037 2.650 -2.263 1.00 0.00 C ATOM 326 C THR A 28 5.541 2.844 -2.044 1.00 0.00 C ATOM 327 O THR A 28 4.948 2.224 -1.161 1.00 0.00 O ATOM 328 CB THR A 28 7.274 1.284 -2.935 1.00 0.00 C ATOM 329 OG1 THR A 28 8.673 0.982 -2.950 1.00 0.00 O ATOM 330 CG2 THR A 28 6.734 1.280 -4.357 1.00 0.00 C ATOM 0 HA THR A 28 7.411 3.438 -2.917 1.00 0.00 H new ATOM 0 HB THR A 28 6.745 0.524 -2.360 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.092 1.333 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.913 0.305 -4.811 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.663 1.482 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.239 2.050 -4.940 1.00 0.00 H new ATOM 338 N ILE A 29 4.936 3.707 -2.854 1.00 0.00 N ATOM 339 CA ILE A 29 3.508 3.980 -2.749 1.00 0.00 C ATOM 340 C ILE A 29 2.685 2.809 -3.275 1.00 0.00 C ATOM 341 O ILE A 29 3.012 2.219 -4.305 1.00 0.00 O ATOM 342 CB ILE A 29 3.121 5.254 -3.522 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.547 6.499 -2.743 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.623 5.276 -3.790 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.885 6.620 -1.388 1.00 0.00 C ATOM 0 H ILE A 29 5.412 4.229 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 29 3.291 4.127 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 29 3.642 5.253 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.629 6.482 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.313 7.385 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.365 6.183 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.346 4.404 -4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.084 5.258 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.234 7.526 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.803 6.669 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.140 5.752 -0.780 1.00 0.00 H new ATOM 357 N PHE A 30 1.614 2.478 -2.561 1.00 0.00 N ATOM 358 CA PHE A 30 0.742 1.378 -2.956 1.00 0.00 C ATOM 359 C PHE A 30 -0.724 1.742 -2.740 1.00 0.00 C ATOM 360 O PHE A 30 -1.072 2.421 -1.774 1.00 0.00 O ATOM 361 CB PHE A 30 1.087 0.115 -2.163 1.00 0.00 C ATOM 362 CG PHE A 30 2.171 -0.711 -2.795 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.484 -0.268 -2.801 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.876 -1.931 -3.382 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.482 -1.027 -3.382 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.871 -2.694 -3.964 1.00 0.00 C ATOM 367 CZ PHE A 30 4.176 -2.242 -3.964 1.00 0.00 C ATOM 0 H PHE A 30 1.329 2.956 -1.706 1.00 0.00 H new ATOM 0 HA PHE A 30 0.899 1.187 -4.018 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.397 0.400 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.190 -0.495 -2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.730 0.680 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.857 -2.290 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.501 -0.670 -3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.628 -3.643 -4.418 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.955 -2.837 -4.418 1.00 0.00 H new ATOM 377 N VAL A 31 -1.581 1.284 -3.648 1.00 0.00 N ATOM 378 CA VAL A 31 -3.010 1.561 -3.559 1.00 0.00 C ATOM 379 C VAL A 31 -3.813 0.269 -3.449 1.00 0.00 C ATOM 380 O VAL A 31 -3.440 -0.756 -4.019 1.00 0.00 O ATOM 381 CB VAL A 31 -3.505 2.359 -4.779 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.999 2.158 -4.978 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.173 3.835 -4.621 1.00 0.00 C ATOM 0 H VAL A 31 -1.310 0.720 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.162 2.158 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.992 1.988 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.331 2.730 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.205 1.100 -5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.533 2.500 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.530 4.384 -5.493 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.657 4.223 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.094 3.958 -4.532 1.00 0.00 H new ATOM 393 N ALA A 32 -4.919 0.327 -2.714 1.00 0.00 N ATOM 394 CA ALA A 32 -5.777 -0.837 -2.532 1.00 0.00 C ATOM 395 C ALA A 32 -6.885 -0.871 -3.579 1.00 0.00 C ATOM 396 O ALA A 32 -7.763 -0.008 -3.597 1.00 0.00 O ATOM 397 CB ALA A 32 -6.371 -0.840 -1.131 1.00 0.00 C ATOM 0 H ALA A 32 -5.242 1.168 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.167 -1.731 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.010 -1.715 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.567 -0.872 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.962 0.064 -0.984 1.00 0.00 H new ATOM 403 N LEU A 33 -6.837 -1.872 -4.451 1.00 0.00 N ATOM 404 CA LEU A 33 -7.838 -2.019 -5.502 1.00 0.00 C ATOM 405 C LEU A 33 -9.110 -2.660 -4.958 1.00 0.00 C ATOM 406 O LEU A 33 -10.216 -2.327 -5.384 1.00 0.00 O ATOM 407 CB LEU A 33 -7.279 -2.861 -6.651 1.00 0.00 C ATOM 408 CG LEU A 33 -5.796 -2.667 -6.966 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.312 -3.733 -7.936 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.548 -1.276 -7.532 1.00 0.00 C ATOM 0 H LEU A 33 -6.116 -2.594 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.086 -1.025 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.446 -3.913 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.853 -2.638 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.232 -2.766 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.254 -3.578 -8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.453 -4.719 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.882 -3.667 -8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.487 -1.156 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.124 -1.148 -8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.856 -0.526 -6.803 1.00 0.00 H new ATOM 422 N TYR A 34 -8.946 -3.580 -4.014 1.00 0.00 N ATOM 423 CA TYR A 34 -10.081 -4.268 -3.412 1.00 0.00 C ATOM 424 C TYR A 34 -10.221 -3.901 -1.937 1.00 0.00 C ATOM 425 O TYR A 34 -9.233 -3.617 -1.260 1.00 0.00 O ATOM 426 CB TYR A 34 -9.923 -5.782 -3.558 1.00 0.00 C ATOM 427 CG TYR A 34 -9.178 -6.195 -4.807 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.802 -6.183 -6.049 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.849 -6.598 -4.747 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.126 -6.560 -7.193 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.165 -6.975 -5.885 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.807 -6.955 -7.106 1.00 0.00 C ATOM 433 OH TYR A 34 -7.128 -7.331 -8.243 1.00 0.00 O ATOM 0 H TYR A 34 -8.038 -3.866 -3.649 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.983 -3.951 -3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.396 -6.170 -2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.911 -6.243 -3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.834 -5.873 -6.121 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.343 -6.616 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.627 -6.546 -8.150 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.132 -7.284 -5.820 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.209 -7.579 -8.008 1.00 0.00 H new ATOM 443 N ASP A 35 -11.456 -3.908 -1.448 1.00 0.00 N ATOM 444 CA ASP A 35 -11.727 -3.577 -0.053 1.00 0.00 C ATOM 445 C ASP A 35 -11.444 -4.771 0.853 1.00 0.00 C ATOM 446 O ASP A 35 -12.071 -5.823 0.726 1.00 0.00 O ATOM 447 CB ASP A 35 -13.180 -3.128 0.113 1.00 0.00 C ATOM 448 CG ASP A 35 -14.141 -3.955 -0.718 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.135 -3.804 -1.957 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.899 -4.754 -0.129 1.00 0.00 O ATOM 0 H ASP A 35 -12.285 -4.139 -1.996 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.067 -2.760 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.461 -3.198 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.268 -2.080 -0.172 1.00 0.00 H new ATOM 455 N TYR A 36 -10.496 -4.601 1.767 1.00 0.00 N ATOM 456 CA TYR A 36 -10.127 -5.666 2.693 1.00 0.00 C ATOM 457 C TYR A 36 -10.461 -5.278 4.130 1.00 0.00 C ATOM 458 O TYR A 36 -10.713 -4.111 4.427 1.00 0.00 O ATOM 459 CB TYR A 36 -8.635 -5.981 2.572 1.00 0.00 C ATOM 460 CG TYR A 36 -8.162 -7.050 3.531 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.448 -8.391 3.304 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.431 -6.719 4.665 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.019 -9.371 4.178 1.00 0.00 C ATOM 464 CE2 TYR A 36 -6.996 -7.693 5.544 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.293 -9.017 5.296 1.00 0.00 C ATOM 466 OH TYR A 36 -6.863 -9.989 6.170 1.00 0.00 O ATOM 0 H TYR A 36 -9.969 -3.736 1.887 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.702 -6.555 2.433 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.421 -6.300 1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.064 -5.069 2.747 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.016 -8.672 2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.199 -5.683 4.863 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.251 -10.408 3.987 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.427 -7.419 6.420 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.909 -10.159 6.026 1.00 0.00 H new ATOM 476 N GLU A 37 -10.460 -6.267 5.018 1.00 0.00 N ATOM 477 CA GLU A 37 -10.764 -6.030 6.425 1.00 0.00 C ATOM 478 C GLU A 37 -9.774 -6.763 7.326 1.00 0.00 C ATOM 479 O GLU A 37 -9.680 -7.990 7.295 1.00 0.00 O ATOM 480 CB GLU A 37 -12.191 -6.480 6.745 1.00 0.00 C ATOM 481 CG GLU A 37 -12.799 -5.769 7.942 1.00 0.00 C ATOM 482 CD GLU A 37 -13.869 -6.595 8.629 1.00 0.00 C ATOM 483 OE1 GLU A 37 -13.635 -7.801 8.854 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.940 -6.035 8.942 1.00 0.00 O ATOM 0 H GLU A 37 -10.252 -7.239 4.789 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.678 -4.960 6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.821 -6.309 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.191 -7.554 6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.012 -5.533 8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.229 -4.822 7.617 1.00 0.00 H new ATOM 491 N ALA A 38 -9.036 -6.001 8.128 1.00 0.00 N ATOM 492 CA ALA A 38 -8.055 -6.577 9.038 1.00 0.00 C ATOM 493 C ALA A 38 -8.677 -7.677 9.892 1.00 0.00 C ATOM 494 O ALA A 38 -9.641 -7.441 10.619 1.00 0.00 O ATOM 495 CB ALA A 38 -7.457 -5.494 9.924 1.00 0.00 C ATOM 0 H ALA A 38 -9.100 -4.984 8.165 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.260 -7.023 8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.726 -5.939 10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.968 -4.744 9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.248 -5.022 10.506 1.00 0.00 H new ATOM 501 N ARG A 39 -8.119 -8.880 9.797 1.00 0.00 N ATOM 502 CA ARG A 39 -8.621 -10.017 10.559 1.00 0.00 C ATOM 503 C ARG A 39 -8.193 -9.923 12.020 1.00 0.00 C ATOM 504 O ARG A 39 -8.983 -10.182 12.929 1.00 0.00 O ATOM 505 CB ARG A 39 -8.117 -11.328 9.952 1.00 0.00 C ATOM 506 CG ARG A 39 -8.891 -11.765 8.719 1.00 0.00 C ATOM 507 CD ARG A 39 -8.144 -12.840 7.945 1.00 0.00 C ATOM 508 NE ARG A 39 -9.055 -13.743 7.245 1.00 0.00 N ATOM 509 CZ ARG A 39 -9.721 -14.724 7.843 1.00 0.00 C ATOM 510 NH1 ARG A 39 -9.580 -14.928 9.145 1.00 0.00 N ATOM 511 NH2 ARG A 39 -10.531 -15.503 7.137 1.00 0.00 N ATOM 0 H ARG A 39 -7.320 -9.092 9.200 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.710 -10.000 10.515 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.065 -11.216 9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.176 -12.114 10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.869 -12.143 9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.065 -10.904 8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.475 -12.369 7.224 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.521 -13.414 8.631 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.187 -13.613 6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.959 -14.331 9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.093 -15.682 9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.642 -15.348 6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.042 -16.256 7.596 1.00 0.00 H new ATOM 525 N THR A 40 -6.935 -9.552 12.241 1.00 0.00 N ATOM 526 CA THR A 40 -6.401 -9.426 13.591 1.00 0.00 C ATOM 527 C THR A 40 -5.706 -8.083 13.784 1.00 0.00 C ATOM 528 O THR A 40 -5.727 -7.228 12.898 1.00 0.00 O ATOM 529 CB THR A 40 -5.405 -10.557 13.909 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.097 -10.203 13.446 1.00 0.00 O ATOM 531 CG2 THR A 40 -5.843 -11.862 13.260 1.00 0.00 C ATOM 0 H THR A 40 -6.267 -9.334 11.502 1.00 0.00 H new ATOM 0 HA THR A 40 -7.248 -9.495 14.274 1.00 0.00 H new ATOM 0 HB THR A 40 -5.381 -10.697 14.990 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.086 -10.201 12.466 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.124 -12.646 13.498 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.826 -12.144 13.637 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.893 -11.732 12.179 1.00 0.00 H new ATOM 539 N THR A 41 -5.088 -7.904 14.947 1.00 0.00 N ATOM 540 CA THR A 41 -4.386 -6.664 15.257 1.00 0.00 C ATOM 541 C THR A 41 -3.202 -6.455 14.321 1.00 0.00 C ATOM 542 O THR A 41 -3.000 -5.360 13.797 1.00 0.00 O ATOM 543 CB THR A 41 -3.884 -6.652 16.713 1.00 0.00 C ATOM 544 OG1 THR A 41 -4.980 -6.431 17.608 1.00 0.00 O ATOM 545 CG2 THR A 41 -2.833 -5.570 16.913 1.00 0.00 C ATOM 0 H THR A 41 -5.059 -8.602 15.690 1.00 0.00 H new ATOM 0 HA THR A 41 -5.101 -5.853 15.121 1.00 0.00 H new ATOM 0 HB THR A 41 -3.432 -7.620 16.926 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.652 -6.427 18.532 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.493 -5.580 17.949 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.987 -5.758 16.251 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.265 -4.596 16.682 1.00 0.00 H new ATOM 553 N GLU A 42 -2.422 -7.511 14.114 1.00 0.00 N ATOM 554 CA GLU A 42 -1.257 -7.441 13.240 1.00 0.00 C ATOM 555 C GLU A 42 -1.667 -7.080 11.816 1.00 0.00 C ATOM 556 O GLU A 42 -0.878 -6.520 11.054 1.00 0.00 O ATOM 557 CB GLU A 42 -0.508 -8.775 13.245 1.00 0.00 C ATOM 558 CG GLU A 42 -1.223 -9.878 12.482 1.00 0.00 C ATOM 559 CD GLU A 42 -0.264 -10.880 11.870 1.00 0.00 C ATOM 560 OE1 GLU A 42 0.962 -10.658 11.958 1.00 0.00 O ATOM 561 OE2 GLU A 42 -0.738 -11.886 11.302 1.00 0.00 O ATOM 0 H GLU A 42 -2.576 -8.425 14.540 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.597 -6.661 13.618 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.481 -8.628 12.812 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.360 -9.095 14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.905 -10.398 13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.831 -9.434 11.694 1.00 0.00 H new ATOM 568 N ASP A 43 -2.905 -7.406 11.462 1.00 0.00 N ATOM 569 CA ASP A 43 -3.421 -7.116 10.129 1.00 0.00 C ATOM 570 C ASP A 43 -3.817 -5.647 10.007 1.00 0.00 C ATOM 571 O ASP A 43 -4.393 -5.070 10.930 1.00 0.00 O ATOM 572 CB ASP A 43 -4.624 -8.008 9.819 1.00 0.00 C ATOM 573 CG ASP A 43 -4.223 -9.442 9.532 1.00 0.00 C ATOM 574 OD1 ASP A 43 -3.548 -9.675 8.507 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.582 -10.330 10.332 1.00 0.00 O ATOM 0 H ASP A 43 -3.570 -7.871 12.080 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.630 -7.322 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.314 -7.989 10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.160 -7.605 8.960 1.00 0.00 H new ATOM 580 N LEU A 44 -3.503 -5.049 8.863 1.00 0.00 N ATOM 581 CA LEU A 44 -3.825 -3.647 8.620 1.00 0.00 C ATOM 582 C LEU A 44 -5.165 -3.512 7.905 1.00 0.00 C ATOM 583 O LEU A 44 -5.411 -4.173 6.896 1.00 0.00 O ATOM 584 CB LEU A 44 -2.722 -2.986 7.791 1.00 0.00 C ATOM 585 CG LEU A 44 -2.500 -1.494 8.037 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.884 -0.837 6.812 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.810 -0.814 8.408 1.00 0.00 C ATOM 0 H LEU A 44 -3.026 -5.513 8.090 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.897 -3.144 9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.786 -3.509 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.953 -3.129 6.735 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.807 -1.382 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.733 0.225 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.925 -1.305 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.552 -0.959 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.633 0.248 8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.526 -0.936 7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.211 -1.266 9.315 1.00 0.00 H new ATOM 599 N SER A 45 -6.027 -2.649 8.432 1.00 0.00 N ATOM 600 CA SER A 45 -7.344 -2.428 7.845 1.00 0.00 C ATOM 601 C SER A 45 -7.275 -1.381 6.737 1.00 0.00 C ATOM 602 O SER A 45 -6.957 -0.218 6.985 1.00 0.00 O ATOM 603 CB SER A 45 -8.338 -1.985 8.920 1.00 0.00 C ATOM 604 OG SER A 45 -8.074 -0.658 9.343 1.00 0.00 O ATOM 0 H SER A 45 -5.837 -2.091 9.265 1.00 0.00 H new ATOM 0 HA SER A 45 -7.684 -3.369 7.412 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.354 -2.050 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.280 -2.660 9.774 1.00 0.00 H new ATOM 0 HG SER A 45 -7.749 -0.131 8.583 1.00 0.00 H new ATOM 610 N PHE A 46 -7.576 -1.803 5.513 1.00 0.00 N ATOM 611 CA PHE A 46 -7.548 -0.903 4.366 1.00 0.00 C ATOM 612 C PHE A 46 -8.779 -1.104 3.487 1.00 0.00 C ATOM 613 O PHE A 46 -9.430 -2.148 3.540 1.00 0.00 O ATOM 614 CB PHE A 46 -6.278 -1.130 3.544 1.00 0.00 C ATOM 615 CG PHE A 46 -6.103 -2.551 3.090 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.545 -3.498 3.933 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.497 -2.939 1.820 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.383 -4.806 3.517 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.338 -4.246 1.398 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.781 -5.181 2.249 1.00 0.00 C ATOM 0 H PHE A 46 -7.842 -2.762 5.290 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.553 0.121 4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.299 -0.478 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.413 -0.838 4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.233 -3.211 4.926 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.934 -2.212 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.945 -5.535 4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.649 -4.535 0.405 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.657 -6.203 1.923 1.00 0.00 H new ATOM 630 N LYS A 47 -9.092 -0.097 2.678 1.00 0.00 N ATOM 631 CA LYS A 47 -10.244 -0.162 1.786 1.00 0.00 C ATOM 632 C LYS A 47 -9.844 0.187 0.356 1.00 0.00 C ATOM 633 O LYS A 47 -8.756 0.710 0.115 1.00 0.00 O ATOM 634 CB LYS A 47 -11.341 0.790 2.267 1.00 0.00 C ATOM 635 CG LYS A 47 -12.140 0.253 3.442 1.00 0.00 C ATOM 636 CD LYS A 47 -12.974 -0.953 3.045 1.00 0.00 C ATOM 637 CE LYS A 47 -13.839 -1.437 4.199 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.684 -2.599 3.809 1.00 0.00 N ATOM 0 H LYS A 47 -8.564 0.774 2.622 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.626 -1.183 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.888 1.740 2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.021 0.995 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.461 -0.023 4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.792 1.036 3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.608 -0.695 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.317 -1.759 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.202 -1.717 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.477 -0.622 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.258 -2.899 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.310 -2.325 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.074 -3.386 3.507 1.00 0.00 H new ATOM 652 N LYS A 48 -10.732 -0.103 -0.589 1.00 0.00 N ATOM 653 CA LYS A 48 -10.474 0.182 -1.995 1.00 0.00 C ATOM 654 C LYS A 48 -10.326 1.683 -2.228 1.00 0.00 C ATOM 655 O LYS A 48 -11.275 2.445 -2.046 1.00 0.00 O ATOM 656 CB LYS A 48 -11.605 -0.371 -2.865 1.00 0.00 C ATOM 657 CG LYS A 48 -11.495 0.023 -4.328 1.00 0.00 C ATOM 658 CD LYS A 48 -12.413 -0.816 -5.201 1.00 0.00 C ATOM 659 CE LYS A 48 -12.064 -0.673 -6.675 1.00 0.00 C ATOM 660 NZ LYS A 48 -12.556 0.615 -7.239 1.00 0.00 N ATOM 0 H LYS A 48 -11.637 -0.536 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.539 -0.305 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.612 -1.458 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.559 -0.019 -2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.746 1.077 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.464 -0.097 -4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.338 -1.863 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.448 -0.513 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.983 -0.735 -6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.497 -1.503 -7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.298 0.674 -8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.590 0.663 -7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.123 1.408 -6.723 1.00 0.00 H new ATOM 674 N GLY A 49 -9.131 2.100 -2.633 1.00 0.00 N ATOM 675 CA GLY A 49 -8.882 3.507 -2.885 1.00 0.00 C ATOM 676 C GLY A 49 -8.129 4.175 -1.752 1.00 0.00 C ATOM 677 O GLY A 49 -8.215 5.389 -1.573 1.00 0.00 O ATOM 0 H GLY A 49 -8.330 1.488 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.312 3.612 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.832 4.019 -3.037 1.00 0.00 H new ATOM 681 N GLU A 50 -7.391 3.380 -0.984 1.00 0.00 N ATOM 682 CA GLU A 50 -6.623 3.902 0.140 1.00 0.00 C ATOM 683 C GLU A 50 -5.132 3.640 -0.052 1.00 0.00 C ATOM 684 O GLU A 50 -4.730 2.554 -0.471 1.00 0.00 O ATOM 685 CB GLU A 50 -7.098 3.270 1.450 1.00 0.00 C ATOM 686 CG GLU A 50 -6.928 4.174 2.659 1.00 0.00 C ATOM 687 CD GLU A 50 -7.522 3.580 3.921 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.754 3.378 3.960 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.755 3.315 4.870 1.00 0.00 O ATOM 0 H GLU A 50 -7.309 2.372 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.783 4.979 0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.150 3.001 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.546 2.345 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.867 4.367 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.400 5.136 2.458 1.00 0.00 H new ATOM 696 N ARG A 51 -4.316 4.643 0.257 1.00 0.00 N ATOM 697 CA ARG A 51 -2.870 4.522 0.118 1.00 0.00 C ATOM 698 C ARG A 51 -2.234 4.060 1.426 1.00 0.00 C ATOM 699 O ARG A 51 -2.844 4.152 2.491 1.00 0.00 O ATOM 700 CB ARG A 51 -2.264 5.860 -0.311 1.00 0.00 C ATOM 701 CG ARG A 51 -2.663 6.287 -1.715 1.00 0.00 C ATOM 702 CD ARG A 51 -1.603 7.172 -2.350 1.00 0.00 C ATOM 703 NE ARG A 51 -2.173 8.089 -3.334 1.00 0.00 N ATOM 704 CZ ARG A 51 -2.766 9.234 -3.015 1.00 0.00 C ATOM 705 NH1 ARG A 51 -2.866 9.601 -1.745 1.00 0.00 N ATOM 706 NH2 ARG A 51 -3.260 10.014 -3.967 1.00 0.00 N ATOM 0 H ARG A 51 -4.632 5.548 0.605 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.666 3.775 -0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.571 6.631 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.178 5.792 -0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.820 5.404 -2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.611 6.823 -1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.095 7.744 -1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.850 6.548 -2.830 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.112 7.836 -4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.487 9.004 -1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.322 10.481 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.185 9.735 -4.945 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.715 10.893 -3.721 1.00 0.00 H new ATOM 720 N PHE A 52 -1.005 3.562 1.336 1.00 0.00 N ATOM 721 CA PHE A 52 -0.287 3.084 2.512 1.00 0.00 C ATOM 722 C PHE A 52 1.218 3.068 2.261 1.00 0.00 C ATOM 723 O PHE A 52 1.677 2.624 1.209 1.00 0.00 O ATOM 724 CB PHE A 52 -0.766 1.682 2.893 1.00 0.00 C ATOM 725 CG PHE A 52 -2.256 1.580 3.050 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.064 1.308 1.958 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.849 1.755 4.290 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.436 1.213 2.099 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.220 1.661 4.437 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.015 1.391 3.340 1.00 0.00 C ATOM 0 H PHE A 52 -0.486 3.479 0.462 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.493 3.768 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.440 0.975 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.289 1.385 3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.617 1.169 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.233 1.967 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.054 1.000 1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.670 1.799 5.409 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.087 1.319 3.453 1.00 0.00 H new ATOM 740 N GLN A 53 1.980 3.557 3.235 1.00 0.00 N ATOM 741 CA GLN A 53 3.433 3.600 3.119 1.00 0.00 C ATOM 742 C GLN A 53 4.047 2.248 3.465 1.00 0.00 C ATOM 743 O GLN A 53 3.985 1.802 4.611 1.00 0.00 O ATOM 744 CB GLN A 53 4.006 4.684 4.033 1.00 0.00 C ATOM 745 CG GLN A 53 3.972 6.076 3.424 1.00 0.00 C ATOM 746 CD GLN A 53 4.172 7.169 4.454 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.761 7.034 5.607 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.805 8.261 4.044 1.00 0.00 N ATOM 0 H GLN A 53 1.615 3.928 4.112 1.00 0.00 H new ATOM 0 HA GLN A 53 3.683 3.837 2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.446 4.692 4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.037 4.430 4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.748 6.154 2.662 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.016 6.226 2.922 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.129 8.331 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.968 9.030 4.694 1.00 0.00 H new ATOM 757 N ILE A 54 4.639 1.600 2.467 1.00 0.00 N ATOM 758 CA ILE A 54 5.265 0.299 2.668 1.00 0.00 C ATOM 759 C ILE A 54 6.485 0.409 3.577 1.00 0.00 C ATOM 760 O ILE A 54 7.542 0.884 3.159 1.00 0.00 O ATOM 761 CB ILE A 54 5.692 -0.332 1.329 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.501 -0.405 0.372 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.279 -1.717 1.560 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.335 -1.199 0.917 1.00 0.00 C ATOM 0 H ILE A 54 4.698 1.954 1.512 1.00 0.00 H new ATOM 0 HA ILE A 54 4.520 -0.340 3.141 1.00 0.00 H new ATOM 0 HB ILE A 54 6.459 0.296 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.166 0.607 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.827 -0.852 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.576 -2.150 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.151 -1.639 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.531 -2.355 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.527 -1.208 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.654 -2.222 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.982 -0.740 1.841 1.00 0.00 H new ATOM 776 N ILE A 55 6.331 -0.033 4.820 1.00 0.00 N ATOM 777 CA ILE A 55 7.421 0.013 5.787 1.00 0.00 C ATOM 778 C ILE A 55 8.372 -1.163 5.600 1.00 0.00 C ATOM 779 O ILE A 55 9.589 -0.988 5.543 1.00 0.00 O ATOM 780 CB ILE A 55 6.891 0.006 7.233 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.842 1.104 7.421 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.036 0.186 8.218 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.852 0.812 8.527 1.00 0.00 C ATOM 0 H ILE A 55 5.462 -0.427 5.182 1.00 0.00 H new ATOM 0 HA ILE A 55 7.960 0.944 5.611 1.00 0.00 H new ATOM 0 HB ILE A 55 6.419 -0.958 7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.348 2.045 7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.299 1.241 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.645 0.179 9.235 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.751 -0.628 8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.534 1.137 8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.139 1.633 8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.319 -0.112 8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.384 0.705 9.472 1.00 0.00 H new ATOM 795 N ASN A 56 7.809 -2.363 5.504 1.00 0.00 N ATOM 796 CA ASN A 56 8.608 -3.570 5.322 1.00 0.00 C ATOM 797 C ASN A 56 8.006 -4.462 4.240 1.00 0.00 C ATOM 798 O ASN A 56 6.809 -4.744 4.248 1.00 0.00 O ATOM 799 CB ASN A 56 8.709 -4.343 6.638 1.00 0.00 C ATOM 800 CG ASN A 56 10.004 -5.124 6.752 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.606 -5.500 5.746 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.439 -5.371 7.982 1.00 0.00 N ATOM 0 H ASN A 56 6.803 -2.526 5.549 1.00 0.00 H new ATOM 0 HA ASN A 56 9.608 -3.270 5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.634 -3.646 7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.866 -5.029 6.719 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.305 -5.892 8.122 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.907 -5.040 8.787 1.00 0.00 H new ATOM 809 N ASN A 57 8.847 -4.904 3.310 1.00 0.00 N ATOM 810 CA ASN A 57 8.399 -5.764 2.221 1.00 0.00 C ATOM 811 C ASN A 57 9.197 -7.064 2.191 1.00 0.00 C ATOM 812 O ASN A 57 9.601 -7.534 1.126 1.00 0.00 O ATOM 813 CB ASN A 57 8.535 -5.038 0.881 1.00 0.00 C ATOM 814 CG ASN A 57 9.975 -4.696 0.552 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.847 -5.565 0.553 1.00 0.00 O ATOM 816 ND2 ASN A 57 10.230 -3.424 0.267 1.00 0.00 N ATOM 0 H ASN A 57 9.842 -4.681 3.289 1.00 0.00 H new ATOM 0 HA ASN A 57 7.350 -6.006 2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.123 -5.663 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.944 -4.123 0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.180 -3.134 0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.476 -2.738 0.278 1.00 0.00 H new ATOM 823 N THR A 58 9.422 -7.641 3.367 1.00 0.00 N ATOM 824 CA THR A 58 10.172 -8.886 3.476 1.00 0.00 C ATOM 825 C THR A 58 9.270 -10.093 3.245 1.00 0.00 C ATOM 826 O THR A 58 9.646 -11.035 2.547 1.00 0.00 O ATOM 827 CB THR A 58 10.844 -9.018 4.856 1.00 0.00 C ATOM 828 OG1 THR A 58 11.582 -10.243 4.926 1.00 0.00 O ATOM 829 CG2 THR A 58 9.807 -8.980 5.969 1.00 0.00 C ATOM 0 H THR A 58 9.095 -7.266 4.258 1.00 0.00 H new ATOM 0 HA THR A 58 10.943 -8.859 2.706 1.00 0.00 H new ATOM 0 HB THR A 58 11.524 -8.176 4.986 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.007 -10.319 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.305 -9.075 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.267 -8.034 5.931 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.105 -9.804 5.841 1.00 0.00 H new ATOM 837 N GLU A 59 8.080 -10.059 3.836 1.00 0.00 N ATOM 838 CA GLU A 59 7.125 -11.152 3.694 1.00 0.00 C ATOM 839 C GLU A 59 6.253 -10.955 2.457 1.00 0.00 C ATOM 840 O GLU A 59 5.316 -10.158 2.465 1.00 0.00 O ATOM 841 CB GLU A 59 6.244 -11.255 4.941 1.00 0.00 C ATOM 842 CG GLU A 59 6.987 -11.747 6.172 1.00 0.00 C ATOM 843 CD GLU A 59 6.945 -13.257 6.313 1.00 0.00 C ATOM 844 OE1 GLU A 59 7.280 -13.953 5.332 1.00 0.00 O ATOM 845 OE2 GLU A 59 6.578 -13.741 7.403 1.00 0.00 O ATOM 0 H GLU A 59 7.754 -9.287 4.417 1.00 0.00 H new ATOM 0 HA GLU A 59 7.687 -12.079 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.814 -10.276 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.414 -11.930 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.025 -11.419 6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.552 -11.290 7.061 1.00 0.00 H new ATOM 852 N GLY A 60 6.571 -11.688 1.394 1.00 0.00 N ATOM 853 CA GLY A 60 5.808 -11.580 0.164 1.00 0.00 C ATOM 854 C GLY A 60 4.317 -11.731 0.391 1.00 0.00 C ATOM 855 O GLY A 60 3.518 -10.982 -0.171 1.00 0.00 O ATOM 0 H GLY A 60 7.343 -12.354 1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.006 -10.613 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.145 -12.344 -0.537 1.00 0.00 H new ATOM 859 N ASP A 61 3.941 -12.702 1.215 1.00 0.00 N ATOM 860 CA ASP A 61 2.536 -12.950 1.515 1.00 0.00 C ATOM 861 C ASP A 61 1.853 -11.678 2.009 1.00 0.00 C ATOM 862 O ASP A 61 0.830 -11.261 1.467 1.00 0.00 O ATOM 863 CB ASP A 61 2.403 -14.055 2.564 1.00 0.00 C ATOM 864 CG ASP A 61 3.134 -15.322 2.165 1.00 0.00 C ATOM 865 OD1 ASP A 61 2.597 -16.081 1.331 1.00 0.00 O ATOM 866 OD2 ASP A 61 4.244 -15.555 2.687 1.00 0.00 O ATOM 0 H ASP A 61 4.590 -13.331 1.688 1.00 0.00 H new ATOM 0 HA ASP A 61 2.045 -13.271 0.596 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.795 -13.697 3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.348 -14.281 2.718 1.00 0.00 H new ATOM 871 N TRP A 62 2.426 -11.069 3.041 1.00 0.00 N ATOM 872 CA TRP A 62 1.871 -9.845 3.609 1.00 0.00 C ATOM 873 C TRP A 62 2.968 -8.816 3.860 1.00 0.00 C ATOM 874 O TRP A 62 4.048 -9.153 4.345 1.00 0.00 O ATOM 875 CB TRP A 62 1.134 -10.152 4.913 1.00 0.00 C ATOM 876 CG TRP A 62 0.032 -11.154 4.751 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.167 -12.479 4.448 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.373 -10.912 4.881 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.069 -13.075 4.382 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.031 -12.135 4.645 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.139 -9.781 5.176 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.417 -12.256 4.694 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.515 -9.903 5.224 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.142 -11.133 4.985 1.00 0.00 C ATOM 0 H TRP A 62 3.273 -11.402 3.501 1.00 0.00 H new ATOM 0 HA TRP A 62 1.165 -9.428 2.891 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.849 -10.524 5.647 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.718 -9.227 5.313 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.107 -12.984 4.284 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.243 -14.058 4.171 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.665 -8.829 5.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.903 -13.203 4.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.117 -9.035 5.450 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.219 -11.196 5.031 1.00 0.00 H new ATOM 895 N TRP A 63 2.684 -7.562 3.528 1.00 0.00 N ATOM 896 CA TRP A 63 3.648 -6.484 3.718 1.00 0.00 C ATOM 897 C TRP A 63 3.200 -5.544 4.832 1.00 0.00 C ATOM 898 O TRP A 63 2.006 -5.393 5.085 1.00 0.00 O ATOM 899 CB TRP A 63 3.832 -5.701 2.417 1.00 0.00 C ATOM 900 CG TRP A 63 4.505 -6.494 1.337 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.334 -7.566 1.503 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.405 -6.276 -0.074 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.757 -8.027 0.280 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.200 -7.253 -0.704 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.721 -5.351 -0.868 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.329 -7.329 -2.088 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.849 -5.428 -2.241 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.647 -6.411 -2.841 1.00 0.00 C ATOM 0 H TRP A 63 1.794 -7.266 3.126 1.00 0.00 H new ATOM 0 HA TRP A 63 4.601 -6.929 4.004 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.857 -5.369 2.060 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.419 -4.805 2.620 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.616 -7.989 2.456 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.384 -8.817 0.129 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.103 -4.589 -0.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.945 -8.085 -2.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.325 -4.718 -2.863 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.726 -6.445 -3.918 1.00 0.00 H new ATOM 919 N GLU A 64 4.167 -4.915 5.494 1.00 0.00 N ATOM 920 CA GLU A 64 3.870 -3.991 6.582 1.00 0.00 C ATOM 921 C GLU A 64 3.877 -2.548 6.086 1.00 0.00 C ATOM 922 O GLU A 64 4.898 -2.046 5.617 1.00 0.00 O ATOM 923 CB GLU A 64 4.885 -4.157 7.714 1.00 0.00 C ATOM 924 CG GLU A 64 4.582 -3.303 8.934 1.00 0.00 C ATOM 925 CD GLU A 64 5.369 -3.733 10.157 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.609 -3.835 10.060 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.742 -3.968 11.212 1.00 0.00 O ATOM 0 H GLU A 64 5.161 -5.029 5.296 1.00 0.00 H new ATOM 0 HA GLU A 64 2.874 -4.223 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.915 -5.205 8.013 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.877 -3.903 7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.808 -2.261 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.516 -3.357 9.155 1.00 0.00 H new ATOM 934 N ALA A 65 2.729 -1.886 6.193 1.00 0.00 N ATOM 935 CA ALA A 65 2.602 -0.501 5.758 1.00 0.00 C ATOM 936 C ALA A 65 1.851 0.333 6.790 1.00 0.00 C ATOM 937 O ALA A 65 1.204 -0.208 7.687 1.00 0.00 O ATOM 938 CB ALA A 65 1.899 -0.433 4.410 1.00 0.00 C ATOM 0 H ALA A 65 1.874 -2.287 6.577 1.00 0.00 H new ATOM 0 HA ALA A 65 3.605 -0.086 5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.811 0.608 4.098 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.477 -0.987 3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.905 -0.871 4.496 1.00 0.00 H new ATOM 944 N ARG A 66 1.943 1.652 6.659 1.00 0.00 N ATOM 945 CA ARG A 66 1.273 2.561 7.582 1.00 0.00 C ATOM 946 C ARG A 66 0.371 3.534 6.829 1.00 0.00 C ATOM 947 O ARG A 66 0.849 4.467 6.184 1.00 0.00 O ATOM 948 CB ARG A 66 2.303 3.336 8.405 1.00 0.00 C ATOM 949 CG ARG A 66 1.686 4.341 9.363 1.00 0.00 C ATOM 950 CD ARG A 66 2.647 5.477 9.675 1.00 0.00 C ATOM 951 NE ARG A 66 2.422 6.036 11.006 1.00 0.00 N ATOM 952 CZ ARG A 66 3.343 6.707 11.687 1.00 0.00 C ATOM 953 NH1 ARG A 66 4.546 6.903 11.165 1.00 0.00 N ATOM 954 NH2 ARG A 66 3.062 7.185 12.892 1.00 0.00 N ATOM 0 H ARG A 66 2.475 2.116 5.923 1.00 0.00 H new ATOM 0 HA ARG A 66 0.655 1.966 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.908 2.629 8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.977 3.860 7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.772 4.746 8.928 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.404 3.838 10.288 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.672 5.114 9.603 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.534 6.263 8.928 1.00 0.00 H new ATOM 0 HE ARG A 66 1.507 5.903 11.436 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.765 6.538 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.252 7.419 11.690 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.137 7.037 13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.771 7.700 13.414 1.00 0.00 H new ATOM 968 N SER A 67 -0.936 3.309 6.915 1.00 0.00 N ATOM 969 CA SER A 67 -1.905 4.163 6.239 1.00 0.00 C ATOM 970 C SER A 67 -1.557 5.636 6.430 1.00 0.00 C ATOM 971 O SER A 67 -1.174 6.058 7.521 1.00 0.00 O ATOM 972 CB SER A 67 -3.315 3.888 6.765 1.00 0.00 C ATOM 973 OG SER A 67 -3.450 2.540 7.181 1.00 0.00 O ATOM 0 H SER A 67 -1.348 2.542 7.446 1.00 0.00 H new ATOM 0 HA SER A 67 -1.872 3.935 5.174 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.531 4.553 7.601 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.046 4.107 5.987 1.00 0.00 H new ATOM 0 HG SER A 67 -3.400 1.950 6.400 1.00 0.00 H new ATOM 979 N ILE A 68 -1.694 6.413 5.361 1.00 0.00 N ATOM 980 CA ILE A 68 -1.396 7.839 5.410 1.00 0.00 C ATOM 981 C ILE A 68 -2.648 8.653 5.717 1.00 0.00 C ATOM 982 O ILE A 68 -2.575 9.716 6.333 1.00 0.00 O ATOM 983 CB ILE A 68 -0.788 8.334 4.084 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.177 7.289 3.519 1.00 0.00 C ATOM 985 CG2 ILE A 68 -0.078 9.663 4.290 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.500 7.493 2.055 1.00 0.00 C ATOM 0 H ILE A 68 -2.009 6.079 4.450 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.668 7.981 6.209 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.594 8.483 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.103 7.313 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.255 6.297 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.346 9.999 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.791 10.404 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.720 9.539 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.189 6.716 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.418 7.439 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.962 8.471 1.917 1.00 0.00 H new ATOM 998 N ALA A 69 -3.798 8.145 5.285 1.00 0.00 N ATOM 999 CA ALA A 69 -5.068 8.822 5.516 1.00 0.00 C ATOM 1000 C ALA A 69 -5.469 8.748 6.986 1.00 0.00 C ATOM 1001 O ALA A 69 -5.561 9.770 7.667 1.00 0.00 O ATOM 1002 CB ALA A 69 -6.155 8.219 4.640 1.00 0.00 C ATOM 0 H ALA A 69 -3.876 7.266 4.773 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.945 9.872 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.098 8.735 4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.879 8.329 3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.268 7.161 4.877 1.00 0.00 H new ATOM 1008 N THR A 70 -5.707 7.533 7.470 1.00 0.00 N ATOM 1009 CA THR A 70 -6.100 7.327 8.858 1.00 0.00 C ATOM 1010 C THR A 70 -4.890 7.371 9.784 1.00 0.00 C ATOM 1011 O THR A 70 -4.924 8.009 10.836 1.00 0.00 O ATOM 1012 CB THR A 70 -6.824 5.980 9.042 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.954 4.902 8.681 1.00 0.00 O ATOM 1014 CG2 THR A 70 -8.087 5.924 8.195 1.00 0.00 C ATOM 0 H THR A 70 -5.634 6.677 6.921 1.00 0.00 H new ATOM 0 HA THR A 70 -6.782 8.137 9.117 1.00 0.00 H new ATOM 0 HB THR A 70 -7.104 5.884 10.091 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.486 4.101 8.493 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.581 4.964 8.342 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.761 6.728 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.825 6.041 7.143 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.820 6.689 9.386 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.614 6.664 10.193 1.00 0.00 C ATOM 1024 C GLY A 71 -2.450 5.362 10.952 1.00 0.00 C ATOM 1025 O GLY A 71 -1.894 5.340 12.050 1.00 0.00 O ATOM 0 H GLY A 71 -3.767 6.154 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.747 6.818 9.550 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.637 7.493 10.901 1.00 0.00 H new ATOM 1029 N LYS A 72 -2.937 4.273 10.367 1.00 0.00 N ATOM 1030 CA LYS A 72 -2.843 2.960 10.994 1.00 0.00 C ATOM 1031 C LYS A 72 -1.616 2.205 10.494 1.00 0.00 C ATOM 1032 O LYS A 72 -0.896 2.683 9.618 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.108 2.146 10.711 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.382 2.808 11.207 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.500 1.796 11.394 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.864 2.423 11.153 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.330 3.207 12.330 1.00 0.00 N ATOM 0 H LYS A 72 -3.401 4.274 9.459 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.745 3.104 12.070 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.190 1.979 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.012 1.166 11.179 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.186 3.314 12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.697 3.572 10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.355 0.961 10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.459 1.389 12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.815 3.073 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.589 1.641 10.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.263 3.618 12.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.401 2.581 13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.652 3.970 12.530 1.00 0.00 H new ATOM 1051 N SER A 73 -1.386 1.022 11.055 1.00 0.00 N ATOM 1052 CA SER A 73 -0.244 0.202 10.668 1.00 0.00 C ATOM 1053 C SER A 73 -0.521 -1.275 10.934 1.00 0.00 C ATOM 1054 O SER A 73 -1.149 -1.631 11.931 1.00 0.00 O ATOM 1055 CB SER A 73 1.009 0.642 11.427 1.00 0.00 C ATOM 1056 OG SER A 73 0.785 0.639 12.826 1.00 0.00 O ATOM 0 H SER A 73 -1.975 0.610 11.779 1.00 0.00 H new ATOM 0 HA SER A 73 -0.078 0.337 9.599 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.837 -0.025 11.187 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.301 1.641 11.104 1.00 0.00 H new ATOM 0 HG SER A 73 1.601 0.922 13.289 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.048 -2.131 10.033 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.254 -3.559 10.188 1.00 0.00 C ATOM 1064 C GLY A 74 0.347 -4.359 9.049 1.00 0.00 C ATOM 1065 O GLY A 74 1.474 -4.099 8.626 1.00 0.00 O ATOM 0 H GLY A 74 0.474 -1.861 9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.187 -3.886 11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.323 -3.764 10.248 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.405 -5.334 8.552 1.00 0.00 N ATOM 1070 CA TYR A 75 0.063 -6.177 7.457 1.00 0.00 C ATOM 1071 C TYR A 75 -1.008 -6.313 6.379 1.00 0.00 C ATOM 1072 O TYR A 75 -2.109 -6.800 6.639 1.00 0.00 O ATOM 1073 CB TYR A 75 0.453 -7.560 7.981 1.00 0.00 C ATOM 1074 CG TYR A 75 1.539 -7.525 9.033 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.581 -6.610 8.953 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.523 -8.408 10.106 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.576 -6.574 9.910 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.513 -8.379 11.069 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.537 -7.460 10.967 1.00 0.00 C ATOM 1080 OH TYR A 75 4.526 -7.429 11.923 1.00 0.00 O ATOM 0 H TYR A 75 -1.341 -5.561 8.889 1.00 0.00 H new ATOM 0 HA TYR A 75 0.940 -5.703 7.016 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.430 -8.043 8.399 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.788 -8.175 7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.614 -5.914 8.128 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.723 -9.129 10.188 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.380 -5.857 9.832 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.486 -9.072 11.897 1.00 0.00 H new ATOM 0 HH TYR A 75 4.350 -8.117 12.599 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.676 -5.879 5.167 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.607 -5.954 4.049 1.00 0.00 C ATOM 1092 C ILE A 76 -1.103 -6.914 2.977 1.00 0.00 C ATOM 1093 O ILE A 76 0.089 -6.979 2.677 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.837 -4.569 3.414 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.502 -3.942 3.008 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.582 -3.661 4.381 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.651 -2.696 2.164 1.00 0.00 C ATOM 0 H ILE A 76 0.230 -5.472 4.935 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.551 -6.323 4.449 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.446 -4.692 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.063 -3.696 3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.082 -4.678 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.737 -2.686 3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.547 -4.104 4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.996 -3.541 5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.336 -2.306 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.188 -2.940 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.208 -1.943 2.722 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.032 -7.678 2.382 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.706 -8.647 1.332 1.00 0.00 C ATOM 1111 C PRO A 77 -1.287 -7.973 0.031 1.00 0.00 C ATOM 1112 O PRO A 77 -2.033 -7.173 -0.534 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.017 -9.415 1.139 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.079 -8.468 1.580 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.472 -7.653 2.689 1.00 0.00 C ATOM 0 HA PRO A 77 -0.862 -9.279 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.155 -9.708 0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.031 -10.330 1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.399 -7.830 0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.961 -9.005 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.863 -6.636 2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.682 -8.086 3.667 1.00 0.00 H new ATOM 1123 N SER A 78 -0.088 -8.301 -0.441 1.00 0.00 N ATOM 1124 CA SER A 78 0.432 -7.724 -1.675 1.00 0.00 C ATOM 1125 C SER A 78 -0.356 -8.223 -2.883 1.00 0.00 C ATOM 1126 O SER A 78 -0.098 -7.821 -4.016 1.00 0.00 O ATOM 1127 CB SER A 78 1.913 -8.070 -1.840 1.00 0.00 C ATOM 1128 OG SER A 78 2.391 -7.671 -3.113 1.00 0.00 O ATOM 0 H SER A 78 0.541 -8.963 0.013 1.00 0.00 H new ATOM 0 HA SER A 78 0.323 -6.641 -1.614 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.494 -7.578 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.055 -9.143 -1.715 1.00 0.00 H new ATOM 0 HG SER A 78 3.101 -7.005 -3.002 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.319 -9.104 -2.630 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.146 -9.660 -3.695 1.00 0.00 C ATOM 1136 C ASN A 79 -3.404 -8.822 -3.901 1.00 0.00 C ATOM 1137 O ASN A 79 -4.212 -9.103 -4.787 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.530 -11.105 -3.370 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.349 -12.052 -3.465 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.435 -11.845 -4.263 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.363 -13.098 -2.647 1.00 0.00 N ATOM 0 H ASN A 79 -1.546 -9.448 -1.697 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.565 -9.644 -4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.948 -11.150 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.312 -11.433 -4.055 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.595 -13.769 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.142 -13.230 -2.001 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.563 -7.791 -3.078 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.723 -6.913 -3.168 1.00 0.00 C ATOM 1150 C TYR A 80 -4.299 -5.480 -3.473 1.00 0.00 C ATOM 1151 O TYR A 80 -5.001 -4.747 -4.170 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.522 -6.953 -1.864 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.585 -8.028 -1.839 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.298 -9.327 -2.239 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.878 -7.745 -1.414 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.266 -10.312 -2.218 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.852 -8.724 -1.388 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.542 -10.005 -1.792 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.509 -10.984 -1.768 1.00 0.00 O ATOM 0 H TYR A 80 -2.903 -7.543 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.353 -7.268 -3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.836 -7.112 -1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.994 -5.983 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.300 -9.571 -2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.125 -6.742 -1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.026 -11.317 -2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.851 -8.487 -1.053 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.351 -10.604 -1.442 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.143 -5.087 -2.947 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.623 -3.742 -3.163 1.00 0.00 C ATOM 1171 C VAL A 81 -1.517 -3.743 -4.212 1.00 0.00 C ATOM 1172 O VAL A 81 -0.683 -4.649 -4.250 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.076 -3.135 -1.857 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.175 -3.043 -0.810 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.902 -3.953 -1.340 1.00 0.00 C ATOM 0 H VAL A 81 -2.549 -5.681 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.455 -3.134 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.721 -2.126 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.770 -2.612 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.981 -2.411 -1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.563 -4.040 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.528 -3.510 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.228 -4.975 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.108 -3.961 -2.086 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.514 -2.722 -5.063 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.509 -2.604 -6.112 1.00 0.00 C ATOM 1187 C VAL A 82 0.135 -1.222 -6.104 1.00 0.00 C ATOM 1188 O VAL A 82 -0.467 -0.232 -5.686 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.116 -2.866 -7.503 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.151 -3.979 -7.433 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.729 -1.592 -8.066 1.00 0.00 C ATOM 0 H VAL A 82 -2.197 -1.964 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 82 0.251 -3.358 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.318 -3.185 -8.174 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.569 -4.150 -8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.678 -4.894 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.949 -3.692 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.153 -1.796 -9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.515 -1.240 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.959 -0.826 -8.155 1.00 0.00 H new ATOM 1201 N PRO A 83 1.388 -1.150 -6.576 1.00 0.00 N ATOM 1202 CA PRO A 83 2.141 0.106 -6.635 1.00 0.00 C ATOM 1203 C PRO A 83 1.587 1.066 -7.682 1.00 0.00 C ATOM 1204 O PRO A 83 1.298 0.669 -8.810 1.00 0.00 O ATOM 1205 CB PRO A 83 3.553 -0.344 -7.016 1.00 0.00 C ATOM 1206 CG PRO A 83 3.358 -1.636 -7.732 1.00 0.00 C ATOM 1207 CD PRO A 83 2.166 -2.289 -7.090 1.00 0.00 C ATOM 0 HA PRO A 83 2.093 0.654 -5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.045 0.391 -7.653 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.180 -0.471 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.187 -1.471 -8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.242 -2.267 -7.646 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.593 -2.875 -7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.462 -2.967 -6.290 1.00 0.00 H new ATOM 1215 N ALA A 84 1.442 2.331 -7.300 1.00 0.00 N ATOM 1216 CA ALA A 84 0.925 3.348 -8.208 1.00 0.00 C ATOM 1217 C ALA A 84 1.852 3.539 -9.404 1.00 0.00 C ATOM 1218 O ALA A 84 1.530 4.271 -10.340 1.00 0.00 O ATOM 1219 CB ALA A 84 0.734 4.665 -7.470 1.00 0.00 C ATOM 0 H ALA A 84 1.675 2.676 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.041 3.009 -8.582 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.348 5.416 -8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.027 4.525 -6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.691 4.999 -7.069 1.00 0.00 H new ATOM 1225 N ASP A 85 3.003 2.877 -9.366 1.00 0.00 N ATOM 1226 CA ASP A 85 3.976 2.974 -10.448 1.00 0.00 C ATOM 1227 C ASP A 85 3.818 1.814 -11.426 1.00 0.00 C ATOM 1228 O ASP A 85 3.886 2.000 -12.641 1.00 0.00 O ATOM 1229 CB ASP A 85 5.398 2.991 -9.883 1.00 0.00 C ATOM 1230 CG ASP A 85 5.484 3.716 -8.554 1.00 0.00 C ATOM 1231 OD1 ASP A 85 5.346 4.957 -8.545 1.00 0.00 O ATOM 1232 OD2 ASP A 85 5.688 3.041 -7.523 1.00 0.00 O ATOM 0 H ASP A 85 3.285 2.268 -8.598 1.00 0.00 H new ATOM 0 HA ASP A 85 3.795 3.905 -10.985 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.749 1.966 -9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.065 3.471 -10.599 1.00 0.00 H new ATOM 1237 N SER A 86 3.609 0.617 -10.888 1.00 0.00 N ATOM 1238 CA SER A 86 3.447 -0.575 -11.713 1.00 0.00 C ATOM 1239 C SER A 86 2.003 -1.066 -11.679 1.00 0.00 C ATOM 1240 O SER A 86 1.735 -2.251 -11.878 1.00 0.00 O ATOM 1241 CB SER A 86 4.386 -1.684 -11.235 1.00 0.00 C ATOM 1242 OG SER A 86 5.627 -1.629 -11.917 1.00 0.00 O ATOM 0 H SER A 86 3.548 0.446 -9.884 1.00 0.00 H new ATOM 0 HA SER A 86 3.700 -0.313 -12.740 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.552 -1.587 -10.162 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.920 -2.656 -11.399 1.00 0.00 H new ATOM 0 HG SER A 86 6.210 -2.347 -11.593 1.00 0.00 H new ATOM 1248 N ILE A 87 1.077 -0.147 -11.425 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.339 -0.486 -11.366 1.00 0.00 C ATOM 1250 C ILE A 87 -0.691 -1.560 -12.390 1.00 0.00 C ATOM 1251 O ILE A 87 -0.807 -1.279 -13.583 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.224 0.750 -11.611 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.550 2.006 -11.054 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.595 0.554 -10.981 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.509 3.153 -10.819 1.00 0.00 C ATOM 0 H ILE A 87 1.282 0.838 -11.257 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.530 -0.867 -10.363 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.355 0.877 -12.686 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.056 1.757 -10.114 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.227 2.329 -11.747 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.209 1.436 -11.163 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.076 -0.320 -11.421 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.484 0.405 -9.907 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.962 4.009 -10.424 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.984 3.429 -11.760 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.272 2.848 -10.103 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.860 -2.790 -11.916 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.199 -3.906 -12.790 1.00 0.00 C ATOM 1269 C GLN A 88 -2.675 -3.868 -13.173 1.00 0.00 C ATOM 1270 O GLN A 88 -3.086 -4.477 -14.160 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.871 -5.234 -12.108 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.473 -5.370 -10.718 1.00 0.00 C ATOM 1273 CD GLN A 88 -1.664 -6.815 -10.303 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -2.788 -7.317 -10.257 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -0.564 -7.494 -9.999 1.00 0.00 N ATOM 0 H GLN A 88 -0.768 -3.039 -10.931 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.604 -3.817 -13.699 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.231 -6.052 -12.732 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.212 -5.339 -12.038 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.826 -4.871 -9.996 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.435 -4.858 -10.691 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.347 -7.038 -10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.630 -8.471 -9.714 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.468 -3.149 -12.384 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.898 -3.031 -12.641 1.00 0.00 C ATOM 1286 C ALA A 89 -5.299 -1.574 -12.849 1.00 0.00 C ATOM 1287 O ALA A 89 -6.444 -1.196 -12.603 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.692 -3.641 -11.496 1.00 0.00 C ATOM 0 H ALA A 89 -3.144 -2.640 -11.562 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.124 -3.577 -13.557 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.758 -3.546 -11.701 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.434 -4.695 -11.396 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.453 -3.120 -10.569 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.350 -0.762 -13.303 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.606 0.653 -13.543 1.00 0.00 C ATOM 1296 C GLU A 90 -6.028 0.870 -14.050 1.00 0.00 C ATOM 1297 O GLU A 90 -6.641 1.904 -13.786 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.601 1.212 -14.552 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.266 0.246 -15.676 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.867 0.452 -16.224 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.272 1.515 -15.949 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.367 -0.451 -16.928 1.00 0.00 O ATOM 0 H GLU A 90 -3.397 -1.060 -13.512 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.492 1.182 -12.597 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.002 2.130 -14.981 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.683 1.479 -14.028 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.363 -0.777 -15.312 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.990 0.367 -16.482 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.546 -0.112 -14.781 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.896 -0.028 -15.327 1.00 0.00 C ATOM 1311 C GLU A 91 -8.837 0.664 -14.345 1.00 0.00 C ATOM 1312 O GLU A 91 -9.772 1.356 -14.749 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.424 -1.425 -15.658 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.731 -2.072 -16.845 1.00 0.00 C ATOM 1315 CD GLU A 91 -8.082 -3.539 -16.997 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -7.841 -4.308 -16.043 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.597 -3.919 -18.069 1.00 0.00 O ATOM 0 H GLU A 91 -6.052 -0.975 -15.009 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.855 0.563 -16.242 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.304 -2.066 -14.784 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.493 -1.361 -15.862 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.006 -1.540 -17.756 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.652 -1.970 -16.730 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.584 0.472 -13.056 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.409 1.077 -12.016 1.00 0.00 C ATOM 1326 C TRP A 92 -9.330 2.598 -12.076 1.00 0.00 C ATOM 1327 O TRP A 92 -10.350 3.285 -12.009 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.968 0.584 -10.636 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.601 1.057 -10.246 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.452 0.318 -10.228 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.239 2.373 -9.815 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.399 1.096 -9.812 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.855 2.361 -9.553 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.950 3.562 -9.627 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.171 3.491 -9.113 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.269 4.682 -9.189 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.892 4.641 -8.937 1.00 0.00 C ATOM 0 H TRP A 92 -7.814 -0.098 -12.705 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.443 0.779 -12.187 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.688 0.921 -9.890 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.985 -0.506 -10.625 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.382 -0.725 -10.501 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.434 0.782 -9.712 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -9.012 3.604 -9.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.109 3.461 -8.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.808 5.605 -9.038 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.389 5.534 -8.597 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.115 3.119 -12.201 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.904 4.560 -12.267 1.00 0.00 C ATOM 1350 C TYR A 93 -8.176 5.087 -13.673 1.00 0.00 C ATOM 1351 O TYR A 93 -8.611 6.225 -13.849 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.475 4.908 -11.848 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.512 5.012 -13.009 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.664 5.998 -13.977 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.449 4.126 -13.138 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.787 6.097 -15.040 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.566 4.219 -14.197 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.740 5.205 -15.145 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.863 5.301 -16.202 1.00 0.00 O ATOM 0 H TYR A 93 -7.261 2.565 -12.259 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.603 5.035 -11.579 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.484 5.855 -11.308 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.114 4.149 -11.154 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.482 6.699 -13.897 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.311 3.352 -12.398 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.920 6.868 -15.784 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.744 3.523 -14.282 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.199 4.771 -16.955 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.916 4.249 -14.672 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.132 4.628 -16.063 1.00 0.00 C ATOM 1371 C PHE A 94 -9.604 4.940 -16.320 1.00 0.00 C ATOM 1372 O PHE A 94 -9.937 5.950 -16.938 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.665 3.510 -16.997 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.237 3.654 -17.437 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.843 4.730 -18.216 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.287 2.713 -17.073 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.529 4.866 -18.623 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -3.972 2.844 -17.476 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.592 3.921 -18.253 1.00 0.00 C ATOM 0 H PHE A 94 -7.556 3.303 -14.544 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.548 5.526 -16.263 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.786 2.552 -16.492 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.308 3.491 -17.877 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.572 5.472 -18.509 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.578 1.867 -16.467 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.235 5.710 -19.229 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.241 2.104 -17.184 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.565 4.024 -18.570 1.00 0.00 H new