USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 439 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 45 ASN : amide:sc= 0 K(o=0.25,f=-0.53) USER MOD Set 1.2: A 49 SER OG : rot 75:sc= 0.253 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0616) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -30:sc= -0.592 USER MOD Single : A 37 THR OG1 : rot 35:sc= 0.273 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -170:sc= 0 (180deg=-0.263) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 140:sc= -0.178 (180deg=-2.01!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0.0483 (180deg=0.0344) USER MOD Single : A 59 MET CE :methyl 174:sc= -4.13 (180deg=-4.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 146:sc= -0.479 (180deg=-4.01!) USER MOD Single : A 67 TYR OH : rot 110:sc= 0.0639 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.049 -4.064 7.476 1.00 0.00 N ATOM 288 CA ASN A 23 -1.905 -3.154 8.228 1.00 0.00 C ATOM 289 C ASN A 23 -2.622 -2.184 7.295 1.00 0.00 C ATOM 290 O ASN A 23 -2.224 -2.006 6.144 1.00 0.00 O ATOM 291 CB ASN A 23 -1.078 -2.375 9.254 1.00 0.00 C ATOM 292 CG ASN A 23 -0.033 -3.240 9.931 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.343 -4.306 10.463 1.00 0.00 O ATOM 294 ND2 ASN A 23 1.214 -2.784 9.913 1.00 0.00 N ATOM 0 HA ASN A 23 -2.655 -3.748 8.750 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.587 -1.537 8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.743 -1.955 10.009 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.961 -3.323 10.352 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.425 -1.895 9.460 1.00 0.00 H new ATOM 301 N ALA A 24 -3.681 -1.559 7.799 1.00 0.00 N ATOM 302 CA ALA A 24 -4.452 -0.605 7.012 1.00 0.00 C ATOM 303 C ALA A 24 -3.600 0.595 6.615 1.00 0.00 C ATOM 304 O ALA A 24 -3.658 1.063 5.478 1.00 0.00 O ATOM 305 CB ALA A 24 -5.679 -0.151 7.787 1.00 0.00 C ATOM 0 H ALA A 24 -4.025 -1.697 8.749 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.777 -1.104 6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.245 0.561 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.306 -1.013 8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.367 0.325 8.716 1.00 0.00 H new ATOM 311 N PHE A 25 -2.808 1.091 7.561 1.00 0.00 N ATOM 312 CA PHE A 25 -1.945 2.239 7.310 1.00 0.00 C ATOM 313 C PHE A 25 -0.980 1.954 6.163 1.00 0.00 C ATOM 314 O PHE A 25 -0.731 2.815 5.319 1.00 0.00 O ATOM 315 CB PHE A 25 -1.160 2.599 8.573 1.00 0.00 C ATOM 316 CG PHE A 25 -0.136 3.676 8.356 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.513 5.008 8.294 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.205 3.357 8.215 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.427 6.000 8.093 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.151 4.345 8.015 1.00 0.00 C ATOM 321 CZ PHE A 25 1.761 5.669 7.955 1.00 0.00 C ATOM 0 H PHE A 25 -2.746 0.716 8.507 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.577 3.082 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.858 2.923 9.345 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.662 1.705 8.948 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.554 5.274 8.404 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.515 2.324 8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.119 7.034 8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.193 4.082 7.906 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.498 6.444 7.801 1.00 0.00 H new ATOM 331 N MET A 26 -0.441 0.740 6.138 1.00 0.00 N ATOM 332 CA MET A 26 0.496 0.341 5.094 1.00 0.00 C ATOM 333 C MET A 26 -0.083 0.617 3.710 1.00 0.00 C ATOM 334 O MET A 26 0.598 1.160 2.839 1.00 0.00 O ATOM 335 CB MET A 26 0.840 -1.144 5.229 1.00 0.00 C ATOM 336 CG MET A 26 1.798 -1.445 6.370 1.00 0.00 C ATOM 337 SD MET A 26 3.418 -1.988 5.792 1.00 0.00 S ATOM 338 CE MET A 26 4.131 -2.604 7.315 1.00 0.00 C ATOM 0 H MET A 26 -0.637 0.015 6.829 1.00 0.00 H new ATOM 0 HA MET A 26 1.406 0.930 5.212 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.080 -1.709 5.379 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.280 -1.493 4.295 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.916 -0.553 6.985 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.367 -2.217 7.008 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.137 -2.976 7.121 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.177 -1.798 8.047 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.513 -3.413 7.705 1.00 0.00 H new ATOM 348 N LEU A 27 -1.341 0.241 3.514 1.00 0.00 N ATOM 349 CA LEU A 27 -2.012 0.448 2.235 1.00 0.00 C ATOM 350 C LEU A 27 -2.078 1.933 1.889 1.00 0.00 C ATOM 351 O LEU A 27 -2.105 2.307 0.717 1.00 0.00 O ATOM 352 CB LEU A 27 -3.422 -0.141 2.275 1.00 0.00 C ATOM 353 CG LEU A 27 -3.892 -0.845 1.001 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.964 -2.001 0.658 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.323 -1.337 1.160 1.00 0.00 C ATOM 0 H LEU A 27 -1.918 -0.209 4.224 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.435 -0.061 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.474 -0.852 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.123 0.662 2.502 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.865 -0.128 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.313 -2.491 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.954 -1.623 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.959 -2.719 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.640 -1.835 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.376 -2.039 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.979 -0.490 1.358 1.00 0.00 H new ATOM 367 N PHE A 28 -2.102 2.774 2.918 1.00 0.00 N ATOM 368 CA PHE A 28 -2.163 4.218 2.723 1.00 0.00 C ATOM 369 C PHE A 28 -0.784 4.781 2.393 1.00 0.00 C ATOM 370 O PHE A 28 -0.585 5.385 1.339 1.00 0.00 O ATOM 371 CB PHE A 28 -2.719 4.899 3.976 1.00 0.00 C ATOM 372 CG PHE A 28 -2.529 6.389 3.981 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.384 6.953 4.518 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.497 7.226 3.448 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.207 8.324 4.525 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.326 8.597 3.452 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.179 9.147 3.990 1.00 0.00 C ATOM 0 H PHE A 28 -2.080 2.481 3.895 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.828 4.419 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.783 4.676 4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.234 4.476 4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.620 6.314 4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.395 6.801 3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.310 8.751 4.948 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.089 9.238 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.042 10.218 3.992 1.00 0.00 H new ATOM 387 N ALA A 29 0.164 4.580 3.302 1.00 0.00 N ATOM 388 CA ALA A 29 1.524 5.066 3.108 1.00 0.00 C ATOM 389 C ALA A 29 2.094 4.587 1.777 1.00 0.00 C ATOM 390 O ALA A 29 2.928 5.258 1.169 1.00 0.00 O ATOM 391 CB ALA A 29 2.414 4.617 4.258 1.00 0.00 C ATOM 0 H ALA A 29 0.015 4.084 4.181 1.00 0.00 H new ATOM 0 HA ALA A 29 1.495 6.155 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.427 4.987 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.025 5.014 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.428 3.528 4.303 1.00 0.00 H new ATOM 397 N LYS A 30 1.639 3.422 1.330 1.00 0.00 N ATOM 398 CA LYS A 30 2.102 2.852 0.070 1.00 0.00 C ATOM 399 C LYS A 30 1.374 3.482 -1.113 1.00 0.00 C ATOM 400 O LYS A 30 2.000 4.029 -2.021 1.00 0.00 O ATOM 401 CB LYS A 30 1.890 1.336 0.064 1.00 0.00 C ATOM 402 CG LYS A 30 2.388 0.657 -1.201 1.00 0.00 C ATOM 403 CD LYS A 30 1.823 -0.746 -1.339 1.00 0.00 C ATOM 404 CE LYS A 30 0.351 -0.720 -1.723 1.00 0.00 C ATOM 405 NZ LYS A 30 -0.068 -1.977 -2.402 1.00 0.00 N ATOM 0 H LYS A 30 0.950 2.853 1.822 1.00 0.00 H new ATOM 0 HA LYS A 30 3.167 3.065 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.401 0.903 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.827 1.126 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.105 1.251 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.477 0.612 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.387 -1.294 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.945 -1.283 -0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.255 -0.571 -0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.162 0.128 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.077 -1.919 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.492 -2.107 -3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.088 -2.784 -1.765 1.00 0.00 H new ATOM 419 N LYS A 31 0.047 3.403 -1.096 1.00 0.00 N ATOM 420 CA LYS A 31 -0.767 3.968 -2.165 1.00 0.00 C ATOM 421 C LYS A 31 -0.484 5.457 -2.336 1.00 0.00 C ATOM 422 O LYS A 31 -0.664 6.012 -3.420 1.00 0.00 O ATOM 423 CB LYS A 31 -2.253 3.750 -1.871 1.00 0.00 C ATOM 424 CG LYS A 31 -3.150 3.972 -3.077 1.00 0.00 C ATOM 425 CD LYS A 31 -4.620 3.890 -2.700 1.00 0.00 C ATOM 426 CE LYS A 31 -5.114 2.452 -2.689 1.00 0.00 C ATOM 427 NZ LYS A 31 -5.303 1.920 -4.067 1.00 0.00 N ATOM 0 H LYS A 31 -0.487 2.953 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.508 3.459 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.397 2.734 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.560 4.424 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.939 4.948 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.927 3.226 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.770 4.335 -1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.211 4.473 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.400 1.827 -2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.057 2.396 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.841 1.031 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.825 2.614 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.375 1.742 -4.501 1.00 0.00 H new ATOM 441 N TYR A 32 -0.040 6.097 -1.260 1.00 0.00 N ATOM 442 CA TYR A 32 0.267 7.522 -1.291 1.00 0.00 C ATOM 443 C TYR A 32 1.774 7.754 -1.309 1.00 0.00 C ATOM 444 O TYR A 32 2.241 8.885 -1.170 1.00 0.00 O ATOM 445 CB TYR A 32 -0.354 8.225 -0.083 1.00 0.00 C ATOM 446 CG TYR A 32 -1.823 8.542 -0.255 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.736 7.543 -0.571 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.297 9.839 -0.103 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.079 7.828 -0.730 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.638 10.132 -0.259 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.525 9.123 -0.572 1.00 0.00 C ATOM 452 OH TYR A 32 -5.861 9.412 -0.729 1.00 0.00 O ATOM 0 H TYR A 32 0.115 5.652 -0.356 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.158 7.940 -2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.228 7.595 0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.189 9.151 0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.390 6.527 -0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.605 10.632 0.141 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.776 7.040 -0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.990 11.146 -0.137 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.008 10.370 -0.583 1.00 0.00 H new ATOM 462 N ARG A 33 2.531 6.675 -1.482 1.00 0.00 N ATOM 463 CA ARG A 33 3.986 6.760 -1.519 1.00 0.00 C ATOM 464 C ARG A 33 4.454 7.540 -2.743 1.00 0.00 C ATOM 465 O ARG A 33 4.929 8.671 -2.628 1.00 0.00 O ATOM 466 CB ARG A 33 4.599 5.358 -1.528 1.00 0.00 C ATOM 467 CG ARG A 33 6.118 5.358 -1.469 1.00 0.00 C ATOM 468 CD ARG A 33 6.644 4.172 -0.676 1.00 0.00 C ATOM 469 NE ARG A 33 6.145 2.902 -1.195 1.00 0.00 N ATOM 470 CZ ARG A 33 6.587 1.717 -0.787 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.531 1.641 0.140 1.00 0.00 N ATOM 472 NH2 ARG A 33 6.083 0.605 -1.307 1.00 0.00 N ATOM 0 H ARG A 33 2.161 5.732 -1.599 1.00 0.00 H new ATOM 0 HA ARG A 33 4.318 7.288 -0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.211 4.795 -0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.279 4.836 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.523 5.329 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.466 6.285 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.734 4.172 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.352 4.276 0.369 1.00 0.00 H new ATOM 0 HE ARG A 33 5.418 2.925 -1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.920 2.494 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.868 0.730 0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.356 0.659 -2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.423 -0.304 -0.993 1.00 0.00 H new ATOM 486 N VAL A 34 4.319 6.929 -3.916 1.00 0.00 N ATOM 487 CA VAL A 34 4.728 7.566 -5.162 1.00 0.00 C ATOM 488 C VAL A 34 4.067 8.931 -5.324 1.00 0.00 C ATOM 489 O VAL A 34 4.630 9.834 -5.941 1.00 0.00 O ATOM 490 CB VAL A 34 4.379 6.692 -6.380 1.00 0.00 C ATOM 491 CG1 VAL A 34 2.871 6.593 -6.553 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.032 7.245 -7.638 1.00 0.00 C ATOM 0 H VAL A 34 3.929 5.993 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 34 5.810 7.692 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 34 4.768 5.688 -6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.644 5.971 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.431 6.147 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.456 7.590 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.774 6.614 -8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.676 8.259 -7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.114 7.258 -7.511 1.00 0.00 H new ATOM 502 N GLU A 35 2.869 9.073 -4.764 1.00 0.00 N ATOM 503 CA GLU A 35 2.132 10.328 -4.848 1.00 0.00 C ATOM 504 C GLU A 35 2.907 11.459 -4.177 1.00 0.00 C ATOM 505 O GLU A 35 2.876 12.603 -4.633 1.00 0.00 O ATOM 506 CB GLU A 35 0.756 10.181 -4.195 1.00 0.00 C ATOM 507 CG GLU A 35 -0.046 9.003 -4.724 1.00 0.00 C ATOM 508 CD GLU A 35 0.044 8.867 -6.232 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.036 9.902 -6.926 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.193 7.726 -6.717 1.00 0.00 O ATOM 0 H GLU A 35 2.389 8.335 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 35 2.002 10.574 -5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.884 10.068 -3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.188 11.097 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.313 8.085 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.090 9.120 -4.435 1.00 0.00 H new ATOM 517 N TYR A 36 3.599 11.132 -3.092 1.00 0.00 N ATOM 518 CA TYR A 36 4.379 12.120 -2.357 1.00 0.00 C ATOM 519 C TYR A 36 5.836 12.113 -2.812 1.00 0.00 C ATOM 520 O TYR A 36 6.535 13.123 -2.714 1.00 0.00 O ATOM 521 CB TYR A 36 4.302 11.846 -0.854 1.00 0.00 C ATOM 522 CG TYR A 36 3.029 12.348 -0.212 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.785 11.934 -0.671 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.070 13.237 0.856 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.619 12.391 -0.088 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.909 13.698 1.447 1.00 0.00 C ATOM 527 CZ TYR A 36 0.687 13.273 0.971 1.00 0.00 C ATOM 528 OH TYR A 36 -0.472 13.729 1.556 1.00 0.00 O ATOM 0 H TYR A 36 3.636 10.190 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 36 3.957 13.104 -2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.386 10.773 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.155 12.314 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.728 11.242 -1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.026 13.573 1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.340 12.060 -0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.959 14.387 2.277 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.187 13.756 0.887 1.00 0.00 H new ATOM 538 N THR A 37 6.287 10.967 -3.311 1.00 0.00 N ATOM 539 CA THR A 37 7.660 10.826 -3.782 1.00 0.00 C ATOM 540 C THR A 37 7.954 11.800 -4.917 1.00 0.00 C ATOM 541 O THR A 37 9.086 12.258 -5.075 1.00 0.00 O ATOM 542 CB THR A 37 7.943 9.392 -4.265 1.00 0.00 C ATOM 543 OG1 THR A 37 7.423 8.446 -3.324 1.00 0.00 O ATOM 544 CG2 THR A 37 9.437 9.167 -4.445 1.00 0.00 C ATOM 0 H THR A 37 5.722 10.123 -3.400 1.00 0.00 H new ATOM 0 HA THR A 37 8.310 11.051 -2.936 1.00 0.00 H new ATOM 0 HB THR A 37 7.452 9.253 -5.228 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.596 8.796 -2.932 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.613 8.147 -4.787 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.824 9.869 -5.184 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.946 9.324 -3.494 1.00 0.00 H new ATOM 552 N GLN A 38 6.930 12.113 -5.703 1.00 0.00 N ATOM 553 CA GLN A 38 7.080 13.033 -6.824 1.00 0.00 C ATOM 554 C GLN A 38 6.630 14.438 -6.439 1.00 0.00 C ATOM 555 O GLN A 38 7.144 15.429 -6.957 1.00 0.00 O ATOM 556 CB GLN A 38 6.277 12.539 -8.029 1.00 0.00 C ATOM 557 CG GLN A 38 6.551 11.088 -8.389 1.00 0.00 C ATOM 558 CD GLN A 38 6.011 10.714 -9.755 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.755 10.648 -10.733 1.00 0.00 O ATOM 560 NE2 GLN A 38 4.708 10.466 -9.829 1.00 0.00 N ATOM 0 H GLN A 38 5.987 11.743 -5.584 1.00 0.00 H new ATOM 0 HA GLN A 38 8.136 13.070 -7.092 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.214 12.658 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.505 13.168 -8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.626 10.909 -8.366 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.103 10.440 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.128 10.532 -8.993 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.288 10.209 -10.722 1.00 0.00 H new ATOM 569 N MET A 39 5.665 14.516 -5.528 1.00 0.00 N ATOM 570 CA MET A 39 5.146 15.801 -5.073 1.00 0.00 C ATOM 571 C MET A 39 6.151 16.503 -4.165 1.00 0.00 C ATOM 572 O MET A 39 6.164 17.730 -4.070 1.00 0.00 O ATOM 573 CB MET A 39 3.822 15.606 -4.332 1.00 0.00 C ATOM 574 CG MET A 39 2.603 15.669 -5.238 1.00 0.00 C ATOM 575 SD MET A 39 1.089 16.058 -4.341 1.00 0.00 S ATOM 576 CE MET A 39 0.373 14.426 -4.161 1.00 0.00 C ATOM 0 H MET A 39 5.227 13.705 -5.091 1.00 0.00 H new ATOM 0 HA MET A 39 4.976 16.427 -5.949 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.838 14.641 -3.825 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.731 16.371 -3.560 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.767 16.422 -6.009 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.484 14.712 -5.747 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.647 14.515 -3.786 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.361 13.925 -5.129 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.968 13.843 -3.458 1.00 0.00 H new ATOM 586 N TYR A 40 6.992 15.717 -3.502 1.00 0.00 N ATOM 587 CA TYR A 40 7.999 16.264 -2.600 1.00 0.00 C ATOM 588 C TYR A 40 9.358 15.615 -2.843 1.00 0.00 C ATOM 589 O TYR A 40 9.849 14.822 -2.038 1.00 0.00 O ATOM 590 CB TYR A 40 7.576 16.059 -1.145 1.00 0.00 C ATOM 591 CG TYR A 40 6.231 16.666 -0.813 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.051 16.025 -1.167 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.142 17.882 -0.146 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.820 16.577 -0.867 1.00 0.00 C ATOM 595 CE2 TYR A 40 4.916 18.440 0.160 1.00 0.00 C ATOM 596 CZ TYR A 40 3.758 17.784 -0.203 1.00 0.00 C ATOM 597 OH TYR A 40 2.534 18.337 0.098 1.00 0.00 O ATOM 0 H TYR A 40 6.997 14.699 -3.572 1.00 0.00 H new ATOM 0 HA TYR A 40 8.086 17.332 -2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.545 14.991 -0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.332 16.493 -0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.096 15.079 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.047 18.399 0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.912 16.066 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.864 19.385 0.681 1.00 0.00 H new ATOM 0 HH TYR A 40 2.666 19.187 0.567 1.00 0.00 H new ATOM 607 N PRO A 41 9.982 15.958 -3.979 1.00 0.00 N ATOM 608 CA PRO A 41 11.293 15.422 -4.355 1.00 0.00 C ATOM 609 C PRO A 41 12.413 15.951 -3.465 1.00 0.00 C ATOM 610 O PRO A 41 13.275 15.195 -3.020 1.00 0.00 O ATOM 611 CB PRO A 41 11.478 15.912 -5.794 1.00 0.00 C ATOM 612 CG PRO A 41 10.633 17.136 -5.888 1.00 0.00 C ATOM 613 CD PRO A 41 9.456 16.897 -4.984 1.00 0.00 C ATOM 0 HA PRO A 41 11.334 14.338 -4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.524 16.136 -6.005 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.162 15.156 -6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.190 18.020 -5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.308 17.308 -6.914 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.107 17.822 -4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.612 16.473 -5.527 1.00 0.00 H new ATOM 621 N GLY A 42 12.393 17.256 -3.209 1.00 0.00 N ATOM 622 CA GLY A 42 13.412 17.863 -2.373 1.00 0.00 C ATOM 623 C GLY A 42 13.488 17.229 -0.998 1.00 0.00 C ATOM 624 O GLY A 42 14.516 17.306 -0.326 1.00 0.00 O ATOM 0 H GLY A 42 11.690 17.903 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.381 17.774 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.204 18.928 -2.268 1.00 0.00 H new ATOM 628 N LYS A 43 12.395 16.600 -0.578 1.00 0.00 N ATOM 629 CA LYS A 43 12.340 15.950 0.726 1.00 0.00 C ATOM 630 C LYS A 43 12.750 14.484 0.621 1.00 0.00 C ATOM 631 O LYS A 43 12.767 13.911 -0.469 1.00 0.00 O ATOM 632 CB LYS A 43 10.930 16.055 1.312 1.00 0.00 C ATOM 633 CG LYS A 43 10.544 17.467 1.718 1.00 0.00 C ATOM 634 CD LYS A 43 9.168 17.506 2.361 1.00 0.00 C ATOM 635 CE LYS A 43 8.715 18.934 2.622 1.00 0.00 C ATOM 636 NZ LYS A 43 8.761 19.765 1.387 1.00 0.00 N ATOM 0 H LYS A 43 11.535 16.527 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 43 13.041 16.459 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.212 15.688 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.858 15.403 2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.284 17.861 2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.555 18.115 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.448 17.008 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.188 16.952 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.699 18.926 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.350 19.383 3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.928 20.386 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.625 20.344 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.763 19.146 0.552 1.00 0.00 H new ATOM 650 N ASP A 44 13.079 13.883 1.759 1.00 0.00 N ATOM 651 CA ASP A 44 13.486 12.484 1.795 1.00 0.00 C ATOM 652 C ASP A 44 12.355 11.601 2.313 1.00 0.00 C ATOM 653 O ASP A 44 11.357 12.097 2.834 1.00 0.00 O ATOM 654 CB ASP A 44 14.726 12.313 2.675 1.00 0.00 C ATOM 655 CG ASP A 44 15.976 12.876 2.028 1.00 0.00 C ATOM 656 OD1 ASP A 44 15.999 14.090 1.738 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.932 12.102 1.812 1.00 0.00 O ATOM 0 H ASP A 44 13.072 14.343 2.669 1.00 0.00 H new ATOM 0 HA ASP A 44 13.726 12.176 0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.560 12.809 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.875 11.254 2.886 1.00 0.00 H new ATOM 662 N ASN A 45 12.517 10.291 2.164 1.00 0.00 N ATOM 663 CA ASN A 45 11.509 9.339 2.615 1.00 0.00 C ATOM 664 C ASN A 45 11.131 9.596 4.071 1.00 0.00 C ATOM 665 O ASN A 45 9.964 9.490 4.448 1.00 0.00 O ATOM 666 CB ASN A 45 12.021 7.906 2.454 1.00 0.00 C ATOM 667 CG ASN A 45 11.034 6.878 2.971 1.00 0.00 C ATOM 668 OD1 ASN A 45 9.820 7.072 2.893 1.00 0.00 O ATOM 669 ND2 ASN A 45 11.551 5.777 3.503 1.00 0.00 N ATOM 0 H ASN A 45 13.337 9.864 1.734 1.00 0.00 H new ATOM 0 HA ASN A 45 10.620 9.471 1.999 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.225 7.712 1.401 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.966 7.799 2.987 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.936 5.050 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.563 5.658 3.547 1.00 0.00 H new ATOM 676 N ARG A 46 12.127 9.933 4.884 1.00 0.00 N ATOM 677 CA ARG A 46 11.900 10.204 6.299 1.00 0.00 C ATOM 678 C ARG A 46 10.796 11.241 6.483 1.00 0.00 C ATOM 679 O ARG A 46 10.030 11.182 7.444 1.00 0.00 O ATOM 680 CB ARG A 46 13.190 10.694 6.959 1.00 0.00 C ATOM 681 CG ARG A 46 13.135 10.695 8.478 1.00 0.00 C ATOM 682 CD ARG A 46 14.347 11.389 9.080 1.00 0.00 C ATOM 683 NE ARG A 46 14.277 12.840 8.930 1.00 0.00 N ATOM 684 CZ ARG A 46 15.074 13.685 9.574 1.00 0.00 C ATOM 685 NH1 ARG A 46 15.998 13.225 10.407 1.00 0.00 N ATOM 686 NH2 ARG A 46 14.950 14.992 9.384 1.00 0.00 N ATOM 0 H ARG A 46 13.099 10.025 4.587 1.00 0.00 H new ATOM 0 HA ARG A 46 11.586 9.276 6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 46 14.017 10.062 6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.405 11.704 6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.226 11.196 8.810 1.00 0.00 H new ATOM 0 HG3 ARG A 46 13.084 9.669 8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.421 11.137 10.138 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.253 11.018 8.600 1.00 0.00 H new ATOM 0 HE ARG A 46 13.577 13.226 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.098 12.221 10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.609 13.876 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.242 15.349 8.743 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.563 15.640 9.879 1.00 0.00 H new ATOM 700 N ALA A 47 10.723 12.191 5.556 1.00 0.00 N ATOM 701 CA ALA A 47 9.712 13.240 5.616 1.00 0.00 C ATOM 702 C ALA A 47 8.385 12.757 5.040 1.00 0.00 C ATOM 703 O ALA A 47 7.323 13.003 5.613 1.00 0.00 O ATOM 704 CB ALA A 47 10.192 14.478 4.873 1.00 0.00 C ATOM 0 H ALA A 47 11.351 12.256 4.755 1.00 0.00 H new ATOM 0 HA ALA A 47 9.552 13.497 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.428 15.253 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.111 14.843 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.381 14.226 3.830 1.00 0.00 H new ATOM 710 N ILE A 48 8.453 12.069 3.905 1.00 0.00 N ATOM 711 CA ILE A 48 7.256 11.552 3.253 1.00 0.00 C ATOM 712 C ILE A 48 6.448 10.674 4.203 1.00 0.00 C ATOM 713 O ILE A 48 5.233 10.827 4.324 1.00 0.00 O ATOM 714 CB ILE A 48 7.608 10.738 1.994 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.396 11.601 1.007 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.344 10.198 1.342 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.611 12.777 0.471 1.00 0.00 C ATOM 0 H ILE A 48 9.324 11.857 3.418 1.00 0.00 H new ATOM 0 HA ILE A 48 6.657 12.415 2.962 1.00 0.00 H new ATOM 0 HB ILE A 48 8.231 9.893 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.297 11.969 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.720 10.980 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.609 9.625 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.818 9.553 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.698 11.029 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.232 13.344 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.724 12.416 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.310 13.421 1.298 1.00 0.00 H new ATOM 729 N SER A 49 7.133 9.756 4.877 1.00 0.00 N ATOM 730 CA SER A 49 6.479 8.851 5.816 1.00 0.00 C ATOM 731 C SER A 49 5.772 9.632 6.920 1.00 0.00 C ATOM 732 O SER A 49 4.641 9.318 7.291 1.00 0.00 O ATOM 733 CB SER A 49 7.502 7.892 6.429 1.00 0.00 C ATOM 734 OG SER A 49 8.195 7.175 5.422 1.00 0.00 O ATOM 0 H SER A 49 8.140 9.619 4.791 1.00 0.00 H new ATOM 0 HA SER A 49 5.734 8.274 5.268 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.213 8.453 7.036 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.996 7.193 7.095 1.00 0.00 H new ATOM 0 HG SER A 49 8.844 7.767 4.987 1.00 0.00 H new ATOM 740 N VAL A 50 6.448 10.651 7.441 1.00 0.00 N ATOM 741 CA VAL A 50 5.886 11.478 8.502 1.00 0.00 C ATOM 742 C VAL A 50 4.668 12.252 8.009 1.00 0.00 C ATOM 743 O VAL A 50 3.581 12.145 8.576 1.00 0.00 O ATOM 744 CB VAL A 50 6.926 12.474 9.048 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.311 13.350 10.128 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.144 11.733 9.581 1.00 0.00 C ATOM 0 H VAL A 50 7.385 10.924 7.146 1.00 0.00 H new ATOM 0 HA VAL A 50 5.585 10.803 9.303 1.00 0.00 H new ATOM 0 HB VAL A 50 7.249 13.119 8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.061 14.047 10.502 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.473 13.908 9.710 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.958 12.724 10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.869 12.452 9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.839 11.063 10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.597 11.153 8.777 1.00 0.00 H new ATOM 756 N ILE A 51 4.859 13.030 6.948 1.00 0.00 N ATOM 757 CA ILE A 51 3.775 13.820 6.377 1.00 0.00 C ATOM 758 C ILE A 51 2.578 12.942 6.030 1.00 0.00 C ATOM 759 O ILE A 51 1.434 13.398 6.049 1.00 0.00 O ATOM 760 CB ILE A 51 4.232 14.570 5.112 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.413 15.487 5.434 1.00 0.00 C ATOM 762 CG2 ILE A 51 3.078 15.369 4.524 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.188 15.926 4.212 1.00 0.00 C ATOM 0 H ILE A 51 5.753 13.130 6.467 1.00 0.00 H new ATOM 0 HA ILE A 51 3.481 14.547 7.134 1.00 0.00 H new ATOM 0 HB ILE A 51 4.556 13.839 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.045 16.370 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.088 14.970 6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.417 15.894 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.264 14.693 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.726 16.093 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.010 16.574 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.586 15.050 3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.527 16.471 3.538 1.00 0.00 H new ATOM 775 N LEU A 52 2.848 11.680 5.716 1.00 0.00 N ATOM 776 CA LEU A 52 1.792 10.736 5.366 1.00 0.00 C ATOM 777 C LEU A 52 0.915 10.428 6.575 1.00 0.00 C ATOM 778 O LEU A 52 -0.312 10.456 6.488 1.00 0.00 O ATOM 779 CB LEU A 52 2.399 9.442 4.819 1.00 0.00 C ATOM 780 CG LEU A 52 2.705 9.426 3.321 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.415 8.137 2.936 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.427 9.594 2.514 1.00 0.00 C ATOM 0 H LEU A 52 3.789 11.286 5.696 1.00 0.00 H new ATOM 0 HA LEU A 52 1.170 11.193 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.323 9.240 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.715 8.622 5.039 1.00 0.00 H new ATOM 0 HG LEU A 52 3.366 10.263 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.625 8.143 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.351 8.058 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.779 7.285 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.664 9.580 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.742 8.778 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.958 10.544 2.769 1.00 0.00 H new ATOM 794 N GLY A 53 1.554 10.135 7.705 1.00 0.00 N ATOM 795 CA GLY A 53 0.815 9.828 8.916 1.00 0.00 C ATOM 796 C GLY A 53 -0.215 10.888 9.251 1.00 0.00 C ATOM 797 O GLY A 53 -1.377 10.573 9.511 1.00 0.00 O ATOM 0 H GLY A 53 2.569 10.105 7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.317 8.866 8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.512 9.728 9.748 1.00 0.00 H new ATOM 801 N ASP A 54 0.209 12.147 9.246 1.00 0.00 N ATOM 802 CA ASP A 54 -0.685 13.257 9.552 1.00 0.00 C ATOM 803 C ASP A 54 -1.948 13.188 8.699 1.00 0.00 C ATOM 804 O ASP A 54 -3.059 13.363 9.202 1.00 0.00 O ATOM 805 CB ASP A 54 0.027 14.591 9.325 1.00 0.00 C ATOM 806 CG ASP A 54 -0.574 15.715 10.146 1.00 0.00 C ATOM 807 OD1 ASP A 54 -0.321 15.759 11.368 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.298 16.551 9.566 1.00 0.00 O ATOM 0 H ASP A 54 1.167 12.424 9.033 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.972 13.182 10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.082 14.484 9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.023 14.851 8.268 1.00 0.00 H new ATOM 813 N ARG A 55 -1.770 12.933 7.407 1.00 0.00 N ATOM 814 CA ARG A 55 -2.895 12.844 6.484 1.00 0.00 C ATOM 815 C ARG A 55 -3.849 11.726 6.896 1.00 0.00 C ATOM 816 O ARG A 55 -5.064 11.847 6.744 1.00 0.00 O ATOM 817 CB ARG A 55 -2.395 12.603 5.059 1.00 0.00 C ATOM 818 CG ARG A 55 -1.816 13.844 4.398 1.00 0.00 C ATOM 819 CD ARG A 55 -2.747 14.391 3.328 1.00 0.00 C ATOM 820 NE ARG A 55 -2.397 15.756 2.943 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.599 16.813 3.720 1.00 0.00 C ATOM 822 NH1 ARG A 55 -3.145 16.665 4.919 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.253 18.023 3.299 1.00 0.00 N ATOM 0 H ARG A 55 -0.858 12.784 6.976 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.435 13.790 6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.634 11.823 5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.220 12.230 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.638 14.610 5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.850 13.604 3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.709 13.746 2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.773 14.370 3.695 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.974 15.905 2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.411 15.737 5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.299 17.480 5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.832 18.141 2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.409 18.835 3.897 1.00 0.00 H new ATOM 837 N TRP A 56 -3.289 10.640 7.415 1.00 0.00 N ATOM 838 CA TRP A 56 -4.090 9.500 7.848 1.00 0.00 C ATOM 839 C TRP A 56 -4.931 9.858 9.068 1.00 0.00 C ATOM 840 O TRP A 56 -5.928 9.198 9.363 1.00 0.00 O ATOM 841 CB TRP A 56 -3.186 8.308 8.168 1.00 0.00 C ATOM 842 CG TRP A 56 -3.920 7.155 8.783 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.111 6.922 10.115 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.558 6.077 8.089 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.830 5.764 10.291 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.117 5.227 9.064 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.713 5.749 6.740 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.817 4.071 8.729 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.408 4.601 6.410 1.00 0.00 C ATOM 850 CH2 TRP A 56 -5.954 3.774 7.401 1.00 0.00 C ATOM 0 H TRP A 56 -2.284 10.524 7.546 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.762 9.229 7.034 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.700 7.973 7.252 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.397 8.631 8.847 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.750 7.555 10.913 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.105 5.368 11.190 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.297 6.381 5.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.237 3.431 9.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.533 4.337 5.370 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.494 2.885 7.110 1.00 0.00 H new ATOM 861 N LYS A 57 -4.525 10.907 9.775 1.00 0.00 N ATOM 862 CA LYS A 57 -5.242 11.355 10.963 1.00 0.00 C ATOM 863 C LYS A 57 -6.340 12.348 10.594 1.00 0.00 C ATOM 864 O LYS A 57 -7.377 12.416 11.254 1.00 0.00 O ATOM 865 CB LYS A 57 -4.273 11.996 11.958 1.00 0.00 C ATOM 866 CG LYS A 57 -2.994 11.201 12.160 1.00 0.00 C ATOM 867 CD LYS A 57 -2.404 11.436 13.540 1.00 0.00 C ATOM 868 CE LYS A 57 -2.043 12.899 13.750 1.00 0.00 C ATOM 869 NZ LYS A 57 -0.858 13.055 14.638 1.00 0.00 N ATOM 0 H LYS A 57 -3.702 11.464 9.545 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.705 10.484 11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.018 12.997 11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.775 12.111 12.919 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.200 10.139 12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.266 11.482 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.119 11.124 14.301 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.515 10.819 13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.838 13.365 12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.894 13.425 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.644 14.066 14.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.062 12.633 15.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.039 12.575 14.212 1.00 0.00 H new ATOM 883 N LYS A 58 -6.105 13.115 9.535 1.00 0.00 N ATOM 884 CA LYS A 58 -7.074 14.103 9.075 1.00 0.00 C ATOM 885 C LYS A 58 -8.217 13.433 8.319 1.00 0.00 C ATOM 886 O LYS A 58 -9.367 13.863 8.404 1.00 0.00 O ATOM 887 CB LYS A 58 -6.392 15.138 8.179 1.00 0.00 C ATOM 888 CG LYS A 58 -6.248 16.504 8.828 1.00 0.00 C ATOM 889 CD LYS A 58 -4.807 16.786 9.219 1.00 0.00 C ATOM 890 CE LYS A 58 -4.717 17.896 10.254 1.00 0.00 C ATOM 891 NZ LYS A 58 -3.838 17.521 11.396 1.00 0.00 N ATOM 0 H LYS A 58 -5.251 13.071 8.979 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.486 14.606 9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.404 14.771 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.964 15.242 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.596 17.274 8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.883 16.556 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.353 15.879 9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.237 17.066 8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.334 18.801 9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.715 18.128 10.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.653 18.360 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.308 16.794 11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.938 17.147 11.033 1.00 0.00 H new ATOM 905 N MET A 59 -7.892 12.378 7.579 1.00 0.00 N ATOM 906 CA MET A 59 -8.893 11.647 6.809 1.00 0.00 C ATOM 907 C MET A 59 -10.064 11.233 7.695 1.00 0.00 C ATOM 908 O MET A 59 -9.965 11.251 8.922 1.00 0.00 O ATOM 909 CB MET A 59 -8.266 10.411 6.161 1.00 0.00 C ATOM 910 CG MET A 59 -7.667 10.682 4.790 1.00 0.00 C ATOM 911 SD MET A 59 -7.294 9.168 3.885 1.00 0.00 S ATOM 912 CE MET A 59 -6.258 8.312 5.069 1.00 0.00 C ATOM 0 H MET A 59 -6.944 12.010 7.496 1.00 0.00 H new ATOM 0 HA MET A 59 -9.268 12.307 6.027 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.488 10.021 6.818 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.025 9.634 6.070 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.361 11.287 4.207 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.754 11.266 4.905 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.033 7.312 4.699 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.329 8.865 5.207 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.781 8.237 6.023 1.00 0.00 H new ATOM 922 N LYS A 60 -11.173 10.861 7.065 1.00 0.00 N ATOM 923 CA LYS A 60 -12.363 10.441 7.795 1.00 0.00 C ATOM 924 C LYS A 60 -12.403 8.923 7.945 1.00 0.00 C ATOM 925 O LYS A 60 -11.619 8.208 7.323 1.00 0.00 O ATOM 926 CB LYS A 60 -13.625 10.926 7.077 1.00 0.00 C ATOM 927 CG LYS A 60 -13.663 12.429 6.863 1.00 0.00 C ATOM 928 CD LYS A 60 -14.348 13.139 8.019 1.00 0.00 C ATOM 929 CE LYS A 60 -13.411 13.306 9.205 1.00 0.00 C ATOM 930 NZ LYS A 60 -13.799 14.461 10.061 1.00 0.00 N ATOM 0 H LYS A 60 -11.272 10.842 6.050 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.324 10.886 8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.697 10.428 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.499 10.628 7.655 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.647 12.808 6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.189 12.652 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.698 14.117 7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.227 12.572 8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.415 12.394 9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.392 13.447 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.136 14.541 10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.771 15.335 9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.762 14.315 10.425 1.00 0.00 H new ATOM 944 N ASN A 61 -13.322 8.439 8.774 1.00 0.00 N ATOM 945 CA ASN A 61 -13.464 7.006 9.004 1.00 0.00 C ATOM 946 C ASN A 61 -13.622 6.256 7.685 1.00 0.00 C ATOM 947 O ASN A 61 -12.997 5.218 7.472 1.00 0.00 O ATOM 948 CB ASN A 61 -14.667 6.730 9.909 1.00 0.00 C ATOM 949 CG ASN A 61 -14.370 7.015 11.368 1.00 0.00 C ATOM 950 OD1 ASN A 61 -13.875 6.152 12.093 1.00 0.00 O ATOM 951 ND2 ASN A 61 -14.674 8.231 11.807 1.00 0.00 N ATOM 0 H ASN A 61 -13.979 9.018 9.297 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.559 6.651 9.497 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.509 7.342 9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.969 5.689 9.799 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.498 8.481 12.780 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.083 8.915 11.171 1.00 0.00 H new ATOM 958 N GLU A 62 -14.462 6.790 6.804 1.00 0.00 N ATOM 959 CA GLU A 62 -14.703 6.170 5.506 1.00 0.00 C ATOM 960 C GLU A 62 -13.460 6.254 4.625 1.00 0.00 C ATOM 961 O GLU A 62 -13.121 5.304 3.921 1.00 0.00 O ATOM 962 CB GLU A 62 -15.885 6.844 4.806 1.00 0.00 C ATOM 963 CG GLU A 62 -17.136 6.924 5.664 1.00 0.00 C ATOM 964 CD GLU A 62 -17.826 5.582 5.815 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.661 5.245 4.950 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.533 4.870 6.798 1.00 0.00 O ATOM 0 H GLU A 62 -14.987 7.650 6.965 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.940 5.119 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.594 7.851 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.116 6.296 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.872 7.306 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.831 7.638 5.221 1.00 0.00 H new ATOM 973 N GLU A 63 -12.786 7.400 4.669 1.00 0.00 N ATOM 974 CA GLU A 63 -11.582 7.608 3.874 1.00 0.00 C ATOM 975 C GLU A 63 -10.526 6.556 4.200 1.00 0.00 C ATOM 976 O GLU A 63 -9.669 6.245 3.372 1.00 0.00 O ATOM 977 CB GLU A 63 -11.017 9.008 4.121 1.00 0.00 C ATOM 978 CG GLU A 63 -11.939 10.127 3.664 1.00 0.00 C ATOM 979 CD GLU A 63 -11.257 11.481 3.665 1.00 0.00 C ATOM 980 OE1 GLU A 63 -10.445 11.737 2.752 1.00 0.00 O ATOM 981 OE2 GLU A 63 -11.536 12.285 4.579 1.00 0.00 O ATOM 0 H GLU A 63 -13.054 8.197 5.246 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.851 7.513 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.816 9.127 5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.062 9.102 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.301 9.907 2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.811 10.163 4.316 1.00 0.00 H new ATOM 988 N ARG A 64 -10.594 6.013 5.410 1.00 0.00 N ATOM 989 CA ARG A 64 -9.643 4.998 5.847 1.00 0.00 C ATOM 990 C ARG A 64 -10.240 3.600 5.711 1.00 0.00 C ATOM 991 O ARG A 64 -9.515 2.617 5.558 1.00 0.00 O ATOM 992 CB ARG A 64 -9.228 5.248 7.298 1.00 0.00 C ATOM 993 CG ARG A 64 -8.677 6.643 7.542 1.00 0.00 C ATOM 994 CD ARG A 64 -7.968 6.736 8.884 1.00 0.00 C ATOM 995 NE ARG A 64 -8.612 7.693 9.778 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.694 7.415 10.497 1.00 0.00 C ATOM 997 NH1 ARG A 64 -10.249 6.212 10.427 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.223 8.339 11.289 1.00 0.00 N ATOM 0 H ARG A 64 -11.298 6.259 6.106 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.762 5.062 5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.090 5.088 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.474 4.514 7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.983 6.906 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.491 7.368 7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.953 5.753 9.355 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.930 7.029 8.726 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.209 8.627 9.855 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.845 5.498 9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.080 6.001 10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.799 9.265 11.347 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.054 8.123 11.840 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.565 3.520 5.769 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.259 2.243 5.655 1.00 0.00 C ATOM 1014 C ARG A 65 -11.804 1.486 4.410 1.00 0.00 C ATOM 1015 O ARG A 65 -11.655 0.265 4.434 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.772 2.462 5.606 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.560 1.204 5.283 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.057 1.430 5.433 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.835 0.501 4.618 1.00 0.00 N ATOM 1020 CZ ARG A 65 -17.029 0.654 3.313 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -16.504 1.693 2.679 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -17.750 -0.234 2.640 1.00 0.00 N ATOM 0 H ARG A 65 -12.180 4.324 5.894 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.014 1.646 6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.105 2.852 6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.996 3.223 4.858 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.339 0.887 4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.245 0.396 5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.338 1.316 6.480 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.300 2.454 5.147 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.252 -0.309 5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.949 2.377 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.654 1.808 1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.156 -1.034 3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.899 -0.116 1.638 1.00 0.00 H new ATOM 1036 N MET A 66 -11.585 2.221 3.324 1.00 0.00 N ATOM 1037 CA MET A 66 -11.147 1.620 2.070 1.00 0.00 C ATOM 1038 C MET A 66 -9.919 0.741 2.289 1.00 0.00 C ATOM 1039 O MET A 66 -9.738 -0.270 1.609 1.00 0.00 O ATOM 1040 CB MET A 66 -10.833 2.707 1.041 1.00 0.00 C ATOM 1041 CG MET A 66 -9.771 3.692 1.502 1.00 0.00 C ATOM 1042 SD MET A 66 -9.693 5.165 0.464 1.00 0.00 S ATOM 1043 CE MET A 66 -11.325 5.852 0.728 1.00 0.00 C ATOM 0 H MET A 66 -11.704 3.233 3.288 1.00 0.00 H new ATOM 0 HA MET A 66 -11.957 0.996 1.692 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.502 2.235 0.116 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.748 3.253 0.811 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.977 3.988 2.531 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.799 3.199 1.501 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.270 6.940 0.704 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.997 5.505 -0.057 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.703 5.530 1.698 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.079 1.132 3.241 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.867 0.381 3.547 1.00 0.00 C ATOM 1055 C TYR A 67 -8.098 -0.573 4.716 1.00 0.00 C ATOM 1056 O TYR A 67 -7.477 -1.633 4.800 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.718 1.336 3.872 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.606 2.498 2.911 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.085 2.321 1.635 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.021 3.772 3.278 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -5.979 3.379 0.754 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -6.921 4.836 2.403 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.399 4.635 1.142 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.297 5.691 0.266 1.00 0.00 O ATOM 0 H TYR A 67 -9.215 1.965 3.814 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.603 -0.207 2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.853 1.723 4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.781 0.779 3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.757 1.339 1.327 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.429 3.933 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.570 3.224 -0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.250 5.820 2.704 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.193 5.962 -0.026 1.00 0.00 H new ATOM 1074 N THR A 68 -8.997 -0.187 5.617 1.00 0.00 N ATOM 1075 CA THR A 68 -9.310 -1.006 6.781 1.00 0.00 C ATOM 1076 C THR A 68 -9.849 -2.370 6.366 1.00 0.00 C ATOM 1077 O THR A 68 -9.233 -3.401 6.638 1.00 0.00 O ATOM 1078 CB THR A 68 -10.342 -0.314 7.692 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.119 1.100 7.700 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.259 -0.854 9.112 1.00 0.00 C ATOM 0 H THR A 68 -9.520 0.687 5.562 1.00 0.00 H new ATOM 0 HA THR A 68 -8.380 -1.140 7.333 1.00 0.00 H new ATOM 0 HB THR A 68 -11.337 -0.522 7.299 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.780 1.532 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.997 -0.350 9.736 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.459 -1.925 9.106 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.261 -0.674 9.512 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.001 -2.369 5.705 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.623 -3.608 5.251 1.00 0.00 C ATOM 1090 C LEU A 69 -10.738 -4.320 4.233 1.00 0.00 C ATOM 1091 O LEU A 69 -10.618 -5.545 4.251 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.994 -3.318 4.637 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.103 -2.939 5.619 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -15.103 -2.002 4.960 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.802 -4.186 6.141 1.00 0.00 C ATOM 0 H LEU A 69 -11.523 -1.525 5.471 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.749 -4.260 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.883 -2.508 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.314 -4.199 4.081 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.651 -2.419 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.885 -1.743 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.593 -1.095 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.549 -2.495 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.588 -3.897 6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.240 -4.734 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.079 -4.821 6.652 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.119 -3.545 3.349 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.244 -4.103 2.325 1.00 0.00 C ATOM 1109 C GLU A 70 -8.082 -4.862 2.958 1.00 0.00 C ATOM 1110 O GLU A 70 -7.944 -6.072 2.775 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.708 -2.992 1.419 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.808 -3.496 0.304 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.549 -4.354 -0.702 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.559 -3.875 -1.260 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.121 -5.504 -0.932 1.00 0.00 O ATOM 0 H GLU A 70 -10.207 -2.529 3.321 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.828 -4.801 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.549 -2.455 0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.154 -2.276 2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.361 -2.645 -0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.990 -4.073 0.735 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.247 -4.143 3.701 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.098 -4.749 4.362 1.00 0.00 C ATOM 1124 C ALA A 71 -6.535 -5.840 5.333 1.00 0.00 C ATOM 1125 O ALA A 71 -5.791 -6.785 5.598 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.288 -3.686 5.090 1.00 0.00 C ATOM 0 H ALA A 71 -7.345 -3.140 3.860 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.471 -5.209 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.433 -4.152 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.936 -2.943 4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.914 -3.201 5.839 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.747 -5.704 5.863 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.284 -6.679 6.804 1.00 0.00 C ATOM 1134 C LYS A 72 -8.431 -8.048 6.147 1.00 0.00 C ATOM 1135 O LYS A 72 -7.879 -9.038 6.624 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.640 -6.210 7.337 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.347 -7.244 8.196 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.669 -6.717 8.728 1.00 0.00 C ATOM 1139 CE LYS A 72 -12.797 -6.932 7.731 1.00 0.00 C ATOM 1140 NZ LYS A 72 -14.119 -7.051 8.406 1.00 0.00 N ATOM 0 H LYS A 72 -8.375 -4.928 5.656 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.584 -6.768 7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.497 -5.301 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.281 -5.950 6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.523 -8.146 7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.705 -7.526 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.911 -7.218 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.575 -5.654 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.822 -6.101 7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.603 -7.835 7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.861 -7.197 7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.104 -7.860 9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.317 -6.180 8.938 1.00 0.00 H new