USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 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 Single : A 23 ASN : amide:sc= -0.529 K(o=-0.53,f=-5.2!) 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+ -152:sc= 0 (180deg=-0.257) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 110:sc= -0.168 USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.973 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -160:sc= -0.297 (180deg=-1.47) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 171:sc= -1.74 (180deg=-2.15!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0795 K(o=-0.079,f=-1) USER MOD Single : A 66 MET CE :methyl 150:sc= -0.55 (180deg=-4.37!) USER MOD Single : A 67 TYR OH : rot 114:sc=0.000192 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.812 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.0211 (180deg=-0.221) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -0.907 -3.395 7.961 1.00 0.00 N ATOM 288 CA ASN A 23 -2.049 -2.782 8.631 1.00 0.00 C ATOM 289 C ASN A 23 -2.777 -1.822 7.695 1.00 0.00 C ATOM 290 O ASN A 23 -2.399 -1.664 6.535 1.00 0.00 O ATOM 291 CB ASN A 23 -1.590 -2.039 9.887 1.00 0.00 C ATOM 292 CG ASN A 23 -0.325 -1.237 9.655 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.360 -0.159 9.062 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.802 -1.761 10.123 1.00 0.00 N ATOM 0 HA ASN A 23 -2.740 -3.575 8.918 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.384 -1.371 10.221 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.419 -2.757 10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.685 -1.267 9.997 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.784 -2.658 10.609 1.00 0.00 H new ATOM 301 N ALA A 24 -3.822 -1.183 8.209 1.00 0.00 N ATOM 302 CA ALA A 24 -4.601 -0.236 7.421 1.00 0.00 C ATOM 303 C ALA A 24 -3.737 0.928 6.950 1.00 0.00 C ATOM 304 O ALA A 24 -3.682 1.231 5.757 1.00 0.00 O ATOM 305 CB ALA A 24 -5.784 0.276 8.230 1.00 0.00 C ATOM 0 H ALA A 24 -4.149 -1.304 9.168 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.975 -0.756 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.357 0.982 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.422 -0.562 8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.422 0.775 9.129 1.00 0.00 H new ATOM 311 N PHE A 25 -3.063 1.579 7.892 1.00 0.00 N ATOM 312 CA PHE A 25 -2.203 2.712 7.573 1.00 0.00 C ATOM 313 C PHE A 25 -1.197 2.342 6.486 1.00 0.00 C ATOM 314 O PHE A 25 -0.949 3.119 5.564 1.00 0.00 O ATOM 315 CB PHE A 25 -1.464 3.188 8.825 1.00 0.00 C ATOM 316 CG PHE A 25 -0.459 4.270 8.554 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.872 5.562 8.270 1.00 0.00 C ATOM 318 CD2 PHE A 25 0.899 3.996 8.583 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.051 6.560 8.019 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.827 4.990 8.333 1.00 0.00 C ATOM 321 CZ PHE A 25 1.402 6.274 8.052 1.00 0.00 C ATOM 0 H PHE A 25 -3.096 1.341 8.883 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.833 3.520 7.202 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.192 3.553 9.550 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.957 2.339 9.282 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.927 5.792 8.244 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.237 2.994 8.804 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.284 7.563 7.797 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.883 4.763 8.357 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.125 7.053 7.858 1.00 0.00 H new ATOM 331 N MET A 26 -0.622 1.150 6.602 1.00 0.00 N ATOM 332 CA MET A 26 0.356 0.675 5.629 1.00 0.00 C ATOM 333 C MET A 26 -0.190 0.789 4.210 1.00 0.00 C ATOM 334 O MET A 26 0.509 1.233 3.298 1.00 0.00 O ATOM 335 CB MET A 26 0.740 -0.775 5.926 1.00 0.00 C ATOM 336 CG MET A 26 1.792 -0.915 7.015 1.00 0.00 C ATOM 337 SD MET A 26 3.369 -1.521 6.383 1.00 0.00 S ATOM 338 CE MET A 26 4.276 -1.758 7.909 1.00 0.00 C ATOM 0 H MET A 26 -0.816 0.495 7.360 1.00 0.00 H new ATOM 0 HA MET A 26 1.245 1.301 5.709 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.153 -1.325 6.222 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.111 -1.238 5.012 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.944 0.052 7.494 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.426 -1.597 7.783 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.275 -2.132 7.684 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.354 -0.808 8.437 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.752 -2.479 8.536 1.00 0.00 H new ATOM 348 N LEU A 27 -1.443 0.384 4.029 1.00 0.00 N ATOM 349 CA LEU A 27 -2.083 0.440 2.719 1.00 0.00 C ATOM 350 C LEU A 27 -2.169 1.877 2.216 1.00 0.00 C ATOM 351 O LEU A 27 -2.131 2.128 1.011 1.00 0.00 O ATOM 352 CB LEU A 27 -3.483 -0.173 2.787 1.00 0.00 C ATOM 353 CG LEU A 27 -4.081 -0.631 1.457 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.184 -1.668 0.797 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.481 -1.189 1.665 1.00 0.00 C ATOM 0 H LEU A 27 -2.035 0.014 4.772 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.475 -0.134 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.451 -1.029 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.157 0.559 3.232 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.151 0.233 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.626 -1.982 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.201 -1.234 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.081 -2.531 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.891 -1.510 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.436 -2.040 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.121 -0.417 2.093 1.00 0.00 H new ATOM 367 N PHE A 28 -2.284 2.819 3.147 1.00 0.00 N ATOM 368 CA PHE A 28 -2.374 4.232 2.798 1.00 0.00 C ATOM 369 C PHE A 28 -1.008 4.782 2.399 1.00 0.00 C ATOM 370 O PHE A 28 -0.819 5.250 1.277 1.00 0.00 O ATOM 371 CB PHE A 28 -2.935 5.034 3.974 1.00 0.00 C ATOM 372 CG PHE A 28 -2.784 6.520 3.812 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.649 7.168 4.271 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.778 7.268 3.201 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.508 8.535 4.124 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.642 8.636 3.051 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.505 9.269 3.513 1.00 0.00 C ATOM 0 H PHE A 28 -2.317 2.629 4.149 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.048 4.328 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.992 4.795 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.431 4.723 4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.866 6.599 4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.669 6.777 2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.619 9.029 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.424 9.208 2.573 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.396 10.337 3.396 1.00 0.00 H new ATOM 387 N ALA A 29 -0.058 4.721 3.327 1.00 0.00 N ATOM 388 CA ALA A 29 1.291 5.211 3.073 1.00 0.00 C ATOM 389 C ALA A 29 1.902 4.530 1.853 1.00 0.00 C ATOM 390 O ALA A 29 2.725 5.115 1.149 1.00 0.00 O ATOM 391 CB ALA A 29 2.170 4.995 4.295 1.00 0.00 C ATOM 0 H ALA A 29 -0.198 4.337 4.261 1.00 0.00 H new ATOM 0 HA ALA A 29 1.230 6.280 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.174 5.366 4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.750 5.533 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.216 3.931 4.527 1.00 0.00 H new ATOM 397 N LYS A 30 1.493 3.290 1.607 1.00 0.00 N ATOM 398 CA LYS A 30 1.999 2.528 0.471 1.00 0.00 C ATOM 399 C LYS A 30 1.419 3.054 -0.838 1.00 0.00 C ATOM 400 O LYS A 30 2.156 3.461 -1.737 1.00 0.00 O ATOM 401 CB LYS A 30 1.658 1.045 0.633 1.00 0.00 C ATOM 402 CG LYS A 30 2.206 0.170 -0.481 1.00 0.00 C ATOM 403 CD LYS A 30 1.257 -0.969 -0.813 1.00 0.00 C ATOM 404 CE LYS A 30 1.062 -1.897 0.377 1.00 0.00 C ATOM 405 NZ LYS A 30 0.934 -3.320 -0.044 1.00 0.00 N ATOM 0 H LYS A 30 0.812 2.791 2.179 1.00 0.00 H new ATOM 0 HA LYS A 30 3.082 2.644 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.050 0.693 1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.575 0.932 0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.374 0.776 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.173 -0.236 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.293 -0.563 -1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.649 -1.536 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.906 -1.795 1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.169 -1.599 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.803 -3.920 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.114 -3.423 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.796 -3.612 -0.547 1.00 0.00 H new ATOM 419 N LYS A 31 0.094 3.043 -0.939 1.00 0.00 N ATOM 420 CA LYS A 31 -0.586 3.521 -2.137 1.00 0.00 C ATOM 421 C LYS A 31 -0.246 4.983 -2.409 1.00 0.00 C ATOM 422 O LYS A 31 -0.292 5.439 -3.552 1.00 0.00 O ATOM 423 CB LYS A 31 -2.100 3.357 -1.989 1.00 0.00 C ATOM 424 CG LYS A 31 -2.860 3.514 -3.295 1.00 0.00 C ATOM 425 CD LYS A 31 -4.357 3.617 -3.060 1.00 0.00 C ATOM 426 CE LYS A 31 -5.027 2.254 -3.127 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.439 2.305 -2.657 1.00 0.00 N ATOM 0 H LYS A 31 -0.530 2.708 -0.205 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.243 2.924 -2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.311 2.372 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.468 4.092 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.510 4.406 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.650 2.663 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.543 4.067 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.799 4.278 -3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.999 1.886 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.467 1.544 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.709 1.379 -2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.533 3.031 -1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.062 2.541 -3.455 1.00 0.00 H new ATOM 441 N TYR A 32 0.095 5.713 -1.353 1.00 0.00 N ATOM 442 CA TYR A 32 0.442 7.123 -1.478 1.00 0.00 C ATOM 443 C TYR A 32 1.953 7.321 -1.413 1.00 0.00 C ATOM 444 O TYR A 32 2.440 8.449 -1.334 1.00 0.00 O ATOM 445 CB TYR A 32 -0.238 7.937 -0.375 1.00 0.00 C ATOM 446 CG TYR A 32 -1.708 8.186 -0.625 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.599 7.129 -0.761 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.206 9.479 -0.724 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.943 7.352 -0.990 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.549 9.712 -0.952 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.413 8.645 -1.084 1.00 0.00 C ATOM 452 OH TYR A 32 -5.751 8.872 -1.311 1.00 0.00 O ATOM 0 H TYR A 32 0.138 5.351 -0.400 1.00 0.00 H new ATOM 0 HA TYR A 32 0.090 7.472 -2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.123 7.414 0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.272 8.895 -0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.235 6.115 -0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.532 10.317 -0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.622 6.518 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.920 10.724 -1.026 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.917 9.837 -1.349 1.00 0.00 H new ATOM 462 N ARG A 33 2.690 6.215 -1.448 1.00 0.00 N ATOM 463 CA ARG A 33 4.146 6.265 -1.392 1.00 0.00 C ATOM 464 C ARG A 33 4.715 6.925 -2.645 1.00 0.00 C ATOM 465 O ARG A 33 5.292 8.010 -2.580 1.00 0.00 O ATOM 466 CB ARG A 33 4.720 4.856 -1.239 1.00 0.00 C ATOM 467 CG ARG A 33 6.201 4.835 -0.894 1.00 0.00 C ATOM 468 CD ARG A 33 6.474 3.986 0.337 1.00 0.00 C ATOM 469 NE ARG A 33 5.958 2.627 0.190 1.00 0.00 N ATOM 470 CZ ARG A 33 6.528 1.704 -0.576 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.627 1.991 -1.260 1.00 0.00 N ATOM 472 NH2 ARG A 33 5.999 0.489 -0.658 1.00 0.00 N ATOM 0 H ARG A 33 2.303 5.274 -1.515 1.00 0.00 H new ATOM 0 HA ARG A 33 4.432 6.862 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.167 4.330 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.564 4.307 -2.167 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.767 4.444 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.550 5.853 -0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.548 3.948 0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.018 4.455 1.209 1.00 0.00 H new ATOM 0 HE ARG A 33 5.114 2.373 0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.037 2.923 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.062 1.280 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.154 0.264 -0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.437 -0.219 -1.247 1.00 0.00 H new ATOM 486 N VAL A 34 4.549 6.262 -3.785 1.00 0.00 N ATOM 487 CA VAL A 34 5.045 6.783 -5.052 1.00 0.00 C ATOM 488 C VAL A 34 4.464 8.162 -5.345 1.00 0.00 C ATOM 489 O VAL A 34 5.110 8.998 -5.975 1.00 0.00 O ATOM 490 CB VAL A 34 4.707 5.837 -6.220 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.201 5.735 -6.405 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.379 6.310 -7.500 1.00 0.00 C ATOM 0 H VAL A 34 4.074 5.362 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 34 6.128 6.860 -4.959 1.00 0.00 H new ATOM 0 HB VAL A 34 5.088 4.844 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.981 5.063 -7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.748 5.347 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.793 6.723 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.129 5.630 -8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.030 7.313 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.460 6.326 -7.359 1.00 0.00 H new ATOM 502 N GLU A 35 3.239 8.392 -4.882 1.00 0.00 N ATOM 503 CA GLU A 35 2.570 9.670 -5.095 1.00 0.00 C ATOM 504 C GLU A 35 3.319 10.799 -4.395 1.00 0.00 C ATOM 505 O GLU A 35 3.296 11.946 -4.843 1.00 0.00 O ATOM 506 CB GLU A 35 1.128 9.607 -4.586 1.00 0.00 C ATOM 507 CG GLU A 35 0.390 8.346 -5.002 1.00 0.00 C ATOM 508 CD GLU A 35 0.573 8.022 -6.472 1.00 0.00 C ATOM 509 OE1 GLU A 35 0.756 8.964 -7.270 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.533 6.824 -6.824 1.00 0.00 O ATOM 0 H GLU A 35 2.690 7.711 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 35 2.561 9.872 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.133 9.673 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.583 10.476 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.744 7.508 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.672 8.464 -4.789 1.00 0.00 H new ATOM 517 N TYR A 36 3.983 10.467 -3.293 1.00 0.00 N ATOM 518 CA TYR A 36 4.737 11.453 -2.528 1.00 0.00 C ATOM 519 C TYR A 36 6.195 11.492 -2.978 1.00 0.00 C ATOM 520 O TYR A 36 6.873 12.511 -2.840 1.00 0.00 O ATOM 521 CB TYR A 36 4.661 11.138 -1.034 1.00 0.00 C ATOM 522 CG TYR A 36 3.403 11.650 -0.370 1.00 0.00 C ATOM 523 CD1 TYR A 36 2.149 11.346 -0.886 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.468 12.439 0.772 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.997 11.813 -0.283 1.00 0.00 C ATOM 526 CE2 TYR A 36 2.321 12.908 1.382 1.00 0.00 C ATOM 527 CZ TYR A 36 1.088 12.593 0.851 1.00 0.00 C ATOM 528 OH TYR A 36 -0.057 13.060 1.454 1.00 0.00 O ATOM 0 H TYR A 36 4.014 9.522 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 36 4.293 12.432 -2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.721 10.059 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.527 11.572 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.074 10.735 -1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.432 12.690 1.190 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.030 11.569 -0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.389 13.518 2.270 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.186 12.601 2.310 1.00 0.00 H new ATOM 538 N THR A 37 6.671 10.374 -3.517 1.00 0.00 N ATOM 539 CA THR A 37 8.047 10.279 -3.987 1.00 0.00 C ATOM 540 C THR A 37 8.308 11.255 -5.128 1.00 0.00 C ATOM 541 O THR A 37 9.369 11.875 -5.195 1.00 0.00 O ATOM 542 CB THR A 37 8.381 8.852 -4.461 1.00 0.00 C ATOM 543 OG1 THR A 37 7.692 7.892 -3.652 1.00 0.00 O ATOM 544 CG2 THR A 37 9.879 8.596 -4.395 1.00 0.00 C ATOM 0 H THR A 37 6.124 9.522 -3.639 1.00 0.00 H new ATOM 0 HA THR A 37 8.687 10.533 -3.142 1.00 0.00 H new ATOM 0 HB THR A 37 8.057 8.753 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.028 6.994 -3.853 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.090 7.582 -4.735 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.398 9.309 -5.036 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.223 8.714 -3.368 1.00 0.00 H new ATOM 552 N GLN A 38 7.334 11.388 -6.022 1.00 0.00 N ATOM 553 CA GLN A 38 7.459 12.290 -7.160 1.00 0.00 C ATOM 554 C GLN A 38 7.023 13.703 -6.786 1.00 0.00 C ATOM 555 O GLN A 38 7.504 14.682 -7.355 1.00 0.00 O ATOM 556 CB GLN A 38 6.624 11.781 -8.336 1.00 0.00 C ATOM 557 CG GLN A 38 7.140 10.480 -8.931 1.00 0.00 C ATOM 558 CD GLN A 38 6.720 10.292 -10.375 1.00 0.00 C ATOM 559 OE1 GLN A 38 7.464 10.623 -11.298 1.00 0.00 O ATOM 560 NE2 GLN A 38 5.522 9.757 -10.579 1.00 0.00 N ATOM 0 H GLN A 38 6.449 10.882 -5.980 1.00 0.00 H new ATOM 0 HA GLN A 38 8.508 12.319 -7.454 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.596 11.637 -8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.604 12.544 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.228 10.462 -8.868 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.773 9.643 -8.338 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.938 9.497 -9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.186 9.606 -11.530 1.00 0.00 H new ATOM 569 N MET A 39 6.110 13.800 -5.825 1.00 0.00 N ATOM 570 CA MET A 39 5.611 15.094 -5.374 1.00 0.00 C ATOM 571 C MET A 39 6.662 15.823 -4.544 1.00 0.00 C ATOM 572 O MET A 39 6.796 17.045 -4.628 1.00 0.00 O ATOM 573 CB MET A 39 4.332 14.913 -4.554 1.00 0.00 C ATOM 574 CG MET A 39 3.063 14.948 -5.390 1.00 0.00 C ATOM 575 SD MET A 39 1.585 15.231 -4.398 1.00 0.00 S ATOM 576 CE MET A 39 0.879 13.586 -4.365 1.00 0.00 C ATOM 0 H MET A 39 5.701 12.999 -5.344 1.00 0.00 H new ATOM 0 HA MET A 39 5.388 15.696 -6.255 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.382 13.962 -4.024 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.281 15.697 -3.798 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.148 15.734 -6.140 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.960 14.005 -5.927 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.179 13.649 -4.112 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.991 13.122 -5.345 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.395 12.984 -3.617 1.00 0.00 H new ATOM 586 N TYR A 40 7.406 15.068 -3.743 1.00 0.00 N ATOM 587 CA TYR A 40 8.444 15.644 -2.896 1.00 0.00 C ATOM 588 C TYR A 40 9.757 14.883 -3.050 1.00 0.00 C ATOM 589 O TYR A 40 10.201 14.171 -2.149 1.00 0.00 O ATOM 590 CB TYR A 40 8.002 15.630 -1.432 1.00 0.00 C ATOM 591 CG TYR A 40 6.653 16.273 -1.200 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.477 15.569 -1.428 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.554 17.585 -0.753 1.00 0.00 C ATOM 594 CE1 TYR A 40 4.243 16.152 -1.218 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.324 18.176 -0.539 1.00 0.00 C ATOM 596 CZ TYR A 40 4.172 17.456 -0.774 1.00 0.00 C ATOM 597 OH TYR A 40 2.944 18.040 -0.563 1.00 0.00 O ATOM 0 H TYR A 40 7.310 14.056 -3.662 1.00 0.00 H new ATOM 0 HA TYR A 40 8.604 16.675 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.968 14.599 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.750 16.147 -0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.529 14.548 -1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.454 18.152 -0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.339 15.590 -1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.265 19.196 -0.190 1.00 0.00 H new ATOM 0 HH TYR A 40 3.069 18.960 -0.250 1.00 0.00 H new ATOM 607 N PRO A 41 10.395 15.038 -4.220 1.00 0.00 N ATOM 608 CA PRO A 41 11.668 14.375 -4.520 1.00 0.00 C ATOM 609 C PRO A 41 12.824 14.940 -3.703 1.00 0.00 C ATOM 610 O PRO A 41 13.790 14.238 -3.407 1.00 0.00 O ATOM 611 CB PRO A 41 11.875 14.663 -6.009 1.00 0.00 C ATOM 612 CG PRO A 41 11.110 15.916 -6.262 1.00 0.00 C ATOM 613 CD PRO A 41 9.925 15.872 -5.338 1.00 0.00 C ATOM 0 HA PRO A 41 11.641 13.313 -4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.932 14.790 -6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.507 13.843 -6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.725 16.795 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.791 15.975 -7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.639 16.869 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.052 15.437 -5.825 1.00 0.00 H new ATOM 621 N GLY A 42 12.718 16.215 -3.340 1.00 0.00 N ATOM 622 CA GLY A 42 13.762 16.853 -2.559 1.00 0.00 C ATOM 623 C GLY A 42 13.689 16.492 -1.089 1.00 0.00 C ATOM 624 O GLY A 42 14.686 16.574 -0.371 1.00 0.00 O ATOM 0 H GLY A 42 11.928 16.817 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.736 16.562 -2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.684 17.935 -2.669 1.00 0.00 H new ATOM 628 N LYS A 43 12.505 16.092 -0.637 1.00 0.00 N ATOM 629 CA LYS A 43 12.304 15.717 0.757 1.00 0.00 C ATOM 630 C LYS A 43 12.793 14.296 1.015 1.00 0.00 C ATOM 631 O LYS A 43 12.827 13.467 0.105 1.00 0.00 O ATOM 632 CB LYS A 43 10.824 15.834 1.130 1.00 0.00 C ATOM 633 CG LYS A 43 10.328 17.267 1.209 1.00 0.00 C ATOM 634 CD LYS A 43 9.019 17.363 1.976 1.00 0.00 C ATOM 635 CE LYS A 43 8.485 18.787 1.990 1.00 0.00 C ATOM 636 NZ LYS A 43 9.208 19.641 2.972 1.00 0.00 N ATOM 0 H LYS A 43 11.669 16.019 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 43 12.884 16.400 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.229 15.292 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.661 15.348 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.081 17.887 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.191 17.661 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.281 16.701 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.170 17.020 2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.579 19.220 0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.423 18.774 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.814 20.603 2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.098 19.242 3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.218 19.674 2.726 1.00 0.00 H new ATOM 650 N ASP A 44 13.170 14.021 2.258 1.00 0.00 N ATOM 651 CA ASP A 44 13.656 12.698 2.636 1.00 0.00 C ATOM 652 C ASP A 44 12.494 11.770 2.976 1.00 0.00 C ATOM 653 O ASP A 44 11.375 12.222 3.214 1.00 0.00 O ATOM 654 CB ASP A 44 14.609 12.802 3.827 1.00 0.00 C ATOM 655 CG ASP A 44 16.029 13.124 3.407 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.446 12.663 2.324 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.724 13.837 4.161 1.00 0.00 O ATOM 0 H ASP A 44 13.149 14.696 3.022 1.00 0.00 H new ATOM 0 HA ASP A 44 14.195 12.279 1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.251 13.574 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.601 11.862 4.378 1.00 0.00 H new ATOM 662 N ASN A 45 12.768 10.470 2.997 1.00 0.00 N ATOM 663 CA ASN A 45 11.745 9.478 3.307 1.00 0.00 C ATOM 664 C ASN A 45 11.093 9.772 4.655 1.00 0.00 C ATOM 665 O ASN A 45 9.871 9.710 4.791 1.00 0.00 O ATOM 666 CB ASN A 45 12.354 8.074 3.318 1.00 0.00 C ATOM 667 CG ASN A 45 11.406 7.037 3.891 1.00 0.00 C ATOM 668 OD1 ASN A 45 10.336 6.786 3.337 1.00 0.00 O ATOM 669 ND2 ASN A 45 11.796 6.431 5.006 1.00 0.00 N ATOM 0 H ASN A 45 13.690 10.079 2.803 1.00 0.00 H new ATOM 0 HA ASN A 45 10.978 9.529 2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.626 7.791 2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.274 8.084 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.200 5.725 5.438 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.692 6.671 5.430 1.00 0.00 H new ATOM 676 N ARG A 46 11.917 10.092 5.647 1.00 0.00 N ATOM 677 CA ARG A 46 11.420 10.396 6.984 1.00 0.00 C ATOM 678 C ARG A 46 10.361 11.493 6.935 1.00 0.00 C ATOM 679 O ARG A 46 9.476 11.554 7.788 1.00 0.00 O ATOM 680 CB ARG A 46 12.573 10.825 7.894 1.00 0.00 C ATOM 681 CG ARG A 46 12.120 11.324 9.256 1.00 0.00 C ATOM 682 CD ARG A 46 13.208 11.149 10.304 1.00 0.00 C ATOM 683 NE ARG A 46 12.943 11.936 11.505 1.00 0.00 N ATOM 684 CZ ARG A 46 13.144 13.247 11.584 1.00 0.00 C ATOM 685 NH1 ARG A 46 13.608 13.914 10.537 1.00 0.00 N ATOM 686 NH2 ARG A 46 12.879 13.893 12.712 1.00 0.00 N ATOM 0 H ARG A 46 12.931 10.148 5.551 1.00 0.00 H new ATOM 0 HA ARG A 46 10.963 9.493 7.388 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.249 9.981 8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.142 11.612 7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.846 12.377 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.226 10.782 9.564 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.288 10.095 10.571 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.169 11.444 9.882 1.00 0.00 H new ATOM 0 HE ARG A 46 12.584 11.453 12.328 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.812 13.421 9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.761 14.920 10.601 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.521 13.383 13.520 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.034 14.899 12.772 1.00 0.00 H new ATOM 700 N ALA A 47 10.459 12.358 5.931 1.00 0.00 N ATOM 701 CA ALA A 47 9.509 13.451 5.769 1.00 0.00 C ATOM 702 C ALA A 47 8.239 12.977 5.070 1.00 0.00 C ATOM 703 O ALA A 47 7.131 13.344 5.461 1.00 0.00 O ATOM 704 CB ALA A 47 10.146 14.594 4.992 1.00 0.00 C ATOM 0 H ALA A 47 11.187 12.323 5.217 1.00 0.00 H new ATOM 0 HA ALA A 47 9.234 13.809 6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.425 15.403 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.019 14.959 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.451 14.239 4.007 1.00 0.00 H new ATOM 710 N ILE A 48 8.409 12.161 4.036 1.00 0.00 N ATOM 711 CA ILE A 48 7.276 11.637 3.283 1.00 0.00 C ATOM 712 C ILE A 48 6.291 10.920 4.200 1.00 0.00 C ATOM 713 O ILE A 48 5.077 11.044 4.043 1.00 0.00 O ATOM 714 CB ILE A 48 7.734 10.665 2.180 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.716 11.360 1.233 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.534 10.134 1.410 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.104 12.511 0.467 1.00 0.00 C ATOM 0 H ILE A 48 9.320 11.848 3.700 1.00 0.00 H new ATOM 0 HA ILE A 48 6.782 12.492 2.820 1.00 0.00 H new ATOM 0 HB ILE A 48 8.243 9.822 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.565 11.728 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.105 10.628 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.874 9.448 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.868 9.607 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.999 10.966 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.857 12.956 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.273 12.146 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.741 13.262 1.168 1.00 0.00 H new ATOM 729 N SER A 49 6.823 10.170 5.160 1.00 0.00 N ATOM 730 CA SER A 49 5.992 9.430 6.102 1.00 0.00 C ATOM 731 C SER A 49 5.217 10.383 7.007 1.00 0.00 C ATOM 732 O SER A 49 4.016 10.218 7.219 1.00 0.00 O ATOM 733 CB SER A 49 6.854 8.492 6.949 1.00 0.00 C ATOM 734 OG SER A 49 7.549 7.564 6.134 1.00 0.00 O ATOM 0 H SER A 49 7.826 10.059 5.306 1.00 0.00 H new ATOM 0 HA SER A 49 5.278 8.837 5.530 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.567 9.075 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.224 7.957 7.660 1.00 0.00 H new ATOM 0 HG SER A 49 8.094 6.977 6.698 1.00 0.00 H new ATOM 740 N VAL A 50 5.915 11.382 7.539 1.00 0.00 N ATOM 741 CA VAL A 50 5.294 12.364 8.420 1.00 0.00 C ATOM 742 C VAL A 50 4.133 13.069 7.727 1.00 0.00 C ATOM 743 O VAL A 50 3.031 13.152 8.271 1.00 0.00 O ATOM 744 CB VAL A 50 6.313 13.418 8.892 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.640 14.449 9.785 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.473 12.751 9.615 1.00 0.00 C ATOM 0 H VAL A 50 6.910 11.532 7.375 1.00 0.00 H new ATOM 0 HA VAL A 50 4.918 11.819 9.286 1.00 0.00 H new ATOM 0 HB VAL A 50 6.708 13.933 8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.375 15.185 10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.846 14.949 9.230 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.215 13.953 10.658 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.183 13.511 9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.097 12.209 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.971 12.055 8.940 1.00 0.00 H new ATOM 756 N ILE A 51 4.388 13.574 6.525 1.00 0.00 N ATOM 757 CA ILE A 51 3.363 14.270 5.757 1.00 0.00 C ATOM 758 C ILE A 51 2.208 13.338 5.410 1.00 0.00 C ATOM 759 O ILE A 51 1.061 13.771 5.289 1.00 0.00 O ATOM 760 CB ILE A 51 3.939 14.862 4.457 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.136 15.764 4.767 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.866 15.636 3.706 1.00 0.00 C ATOM 763 CD1 ILE A 51 5.914 16.179 3.539 1.00 0.00 C ATOM 0 H ILE A 51 5.295 13.514 6.062 1.00 0.00 H new ATOM 0 HA ILE A 51 2.995 15.082 6.385 1.00 0.00 H new ATOM 0 HB ILE A 51 4.280 14.044 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.783 16.657 5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.805 15.243 5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.289 16.048 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.042 14.967 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.497 16.448 4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.747 16.817 3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.297 15.292 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.260 16.728 2.862 1.00 0.00 H new ATOM 775 N LEU A 52 2.517 12.055 5.251 1.00 0.00 N ATOM 776 CA LEU A 52 1.503 11.060 4.920 1.00 0.00 C ATOM 777 C LEU A 52 0.562 10.828 6.097 1.00 0.00 C ATOM 778 O LEU A 52 -0.658 10.817 5.937 1.00 0.00 O ATOM 779 CB LEU A 52 2.168 9.742 4.516 1.00 0.00 C ATOM 780 CG LEU A 52 2.546 9.606 3.041 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.477 8.420 2.836 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.299 9.462 2.181 1.00 0.00 C ATOM 0 H LEU A 52 3.461 11.680 5.346 1.00 0.00 H new ATOM 0 HA LEU A 52 0.918 11.438 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.070 9.615 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.495 8.924 4.775 1.00 0.00 H new ATOM 0 HG LEU A 52 3.071 10.511 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.736 8.339 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.385 8.565 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.979 7.506 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.588 9.366 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.746 8.574 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.668 10.342 2.304 1.00 0.00 H new ATOM 794 N GLY A 53 1.138 10.644 7.281 1.00 0.00 N ATOM 795 CA GLY A 53 0.335 10.417 8.469 1.00 0.00 C ATOM 796 C GLY A 53 -0.679 11.520 8.703 1.00 0.00 C ATOM 797 O GLY A 53 -1.835 11.250 9.028 1.00 0.00 O ATOM 0 H GLY A 53 2.146 10.648 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.185 9.464 8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.990 10.339 9.337 1.00 0.00 H new ATOM 801 N ASP A 54 -0.245 12.765 8.540 1.00 0.00 N ATOM 802 CA ASP A 54 -1.123 13.912 8.736 1.00 0.00 C ATOM 803 C ASP A 54 -2.406 13.760 7.926 1.00 0.00 C ATOM 804 O ASP A 54 -3.501 14.016 8.425 1.00 0.00 O ATOM 805 CB ASP A 54 -0.405 15.204 8.340 1.00 0.00 C ATOM 806 CG ASP A 54 -0.966 16.419 9.052 1.00 0.00 C ATOM 807 OD1 ASP A 54 -0.560 16.671 10.206 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.810 17.119 8.454 1.00 0.00 O ATOM 0 H ASP A 54 0.710 13.005 8.273 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.386 13.960 9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.657 15.111 8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.488 15.347 7.263 1.00 0.00 H new ATOM 813 N ARG A 55 -2.262 13.342 6.672 1.00 0.00 N ATOM 814 CA ARG A 55 -3.410 13.158 5.792 1.00 0.00 C ATOM 815 C ARG A 55 -4.315 12.042 6.305 1.00 0.00 C ATOM 816 O ARG A 55 -5.534 12.095 6.144 1.00 0.00 O ATOM 817 CB ARG A 55 -2.943 12.837 4.371 1.00 0.00 C ATOM 818 CG ARG A 55 -2.325 14.024 3.651 1.00 0.00 C ATOM 819 CD ARG A 55 -2.805 14.114 2.211 1.00 0.00 C ATOM 820 NE ARG A 55 -1.997 15.039 1.420 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.064 16.360 1.540 1.00 0.00 C ATOM 822 NH1 ARG A 55 -2.897 16.909 2.413 1.00 0.00 N ATOM 823 NH2 ARG A 55 -1.295 17.135 0.785 1.00 0.00 N ATOM 0 H ARG A 55 -1.362 13.125 6.243 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.979 14.087 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.214 12.027 4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.792 12.473 3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.579 14.943 4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.239 13.936 3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.772 13.124 1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.846 14.438 2.196 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.346 14.649 0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.489 16.317 2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.946 17.924 2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.653 16.716 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.347 18.150 0.877 1.00 0.00 H new ATOM 837 N TRP A 56 -3.710 11.033 6.923 1.00 0.00 N ATOM 838 CA TRP A 56 -4.462 9.904 7.459 1.00 0.00 C ATOM 839 C TRP A 56 -5.219 10.304 8.721 1.00 0.00 C ATOM 840 O TRP A 56 -6.237 9.704 9.063 1.00 0.00 O ATOM 841 CB TRP A 56 -3.521 8.737 7.763 1.00 0.00 C ATOM 842 CG TRP A 56 -4.192 7.604 8.479 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.370 7.479 9.827 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.771 6.438 7.885 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.026 6.304 10.107 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.284 5.648 8.933 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.908 5.984 6.571 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.921 4.431 8.704 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.541 4.776 6.345 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.041 4.011 7.407 1.00 0.00 C ATOM 0 H TRP A 56 -2.702 10.974 7.065 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.186 9.592 6.707 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.098 8.367 6.829 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.689 9.098 8.368 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.044 8.197 10.564 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.280 5.974 11.038 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.526 6.567 5.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.307 3.839 9.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.652 4.416 5.333 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.531 3.071 7.198 1.00 0.00 H new ATOM 861 N LYS A 57 -4.715 11.323 9.410 1.00 0.00 N ATOM 862 CA LYS A 57 -5.344 11.805 10.634 1.00 0.00 C ATOM 863 C LYS A 57 -6.442 12.816 10.319 1.00 0.00 C ATOM 864 O LYS A 57 -7.383 12.988 11.094 1.00 0.00 O ATOM 865 CB LYS A 57 -4.299 12.440 11.553 1.00 0.00 C ATOM 866 CG LYS A 57 -3.185 11.490 11.957 1.00 0.00 C ATOM 867 CD LYS A 57 -1.885 12.232 12.215 1.00 0.00 C ATOM 868 CE LYS A 57 -0.676 11.352 11.936 1.00 0.00 C ATOM 869 NZ LYS A 57 -0.268 10.572 13.137 1.00 0.00 N ATOM 0 H LYS A 57 -3.872 11.831 9.141 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.794 10.952 11.142 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.864 13.304 11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.794 12.809 12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.478 10.945 12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.033 10.751 11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.842 13.122 11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.858 12.572 13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.906 10.668 11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.157 11.973 11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.559 9.985 12.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.024 11.225 13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.054 9.960 13.437 1.00 0.00 H new ATOM 883 N LYS A 58 -6.316 13.483 9.177 1.00 0.00 N ATOM 884 CA LYS A 58 -7.298 14.475 8.757 1.00 0.00 C ATOM 885 C LYS A 58 -8.497 13.807 8.091 1.00 0.00 C ATOM 886 O LYS A 58 -9.609 14.331 8.125 1.00 0.00 O ATOM 887 CB LYS A 58 -6.660 15.479 7.795 1.00 0.00 C ATOM 888 CG LYS A 58 -6.544 16.882 8.367 1.00 0.00 C ATOM 889 CD LYS A 58 -5.728 17.788 7.461 1.00 0.00 C ATOM 890 CE LYS A 58 -5.465 19.137 8.113 1.00 0.00 C ATOM 891 NZ LYS A 58 -4.762 20.071 7.190 1.00 0.00 N ATOM 0 H LYS A 58 -5.542 13.354 8.525 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.646 15.003 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.667 15.125 7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.250 15.517 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.540 17.304 8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.079 16.837 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.779 17.307 7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.257 17.935 6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.411 19.579 8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.866 18.995 9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.601 20.979 7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.848 19.661 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.345 20.227 6.343 1.00 0.00 H new ATOM 905 N MET A 59 -8.261 12.647 7.487 1.00 0.00 N ATOM 906 CA MET A 59 -9.323 11.906 6.815 1.00 0.00 C ATOM 907 C MET A 59 -10.453 11.576 7.785 1.00 0.00 C ATOM 908 O MET A 59 -10.361 11.857 8.980 1.00 0.00 O ATOM 909 CB MET A 59 -8.767 10.618 6.204 1.00 0.00 C ATOM 910 CG MET A 59 -8.291 10.783 4.770 1.00 0.00 C ATOM 911 SD MET A 59 -8.033 9.204 3.938 1.00 0.00 S ATOM 912 CE MET A 59 -6.760 8.481 4.971 1.00 0.00 C ATOM 0 H MET A 59 -7.345 12.200 7.449 1.00 0.00 H new ATOM 0 HA MET A 59 -9.723 12.534 6.019 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.937 10.264 6.815 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.538 9.848 6.236 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.023 11.367 4.213 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.360 11.349 4.763 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.605 7.441 4.684 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.830 9.035 4.843 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.069 8.527 6.015 1.00 0.00 H new ATOM 922 N LYS A 60 -11.518 10.978 7.263 1.00 0.00 N ATOM 923 CA LYS A 60 -12.667 10.608 8.082 1.00 0.00 C ATOM 924 C LYS A 60 -12.616 9.130 8.455 1.00 0.00 C ATOM 925 O LYS A 60 -11.631 8.445 8.181 1.00 0.00 O ATOM 926 CB LYS A 60 -13.969 10.913 7.338 1.00 0.00 C ATOM 927 CG LYS A 60 -14.096 12.362 6.903 1.00 0.00 C ATOM 928 CD LYS A 60 -14.794 13.203 7.959 1.00 0.00 C ATOM 929 CE LYS A 60 -16.304 13.033 7.898 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.989 13.754 9.007 1.00 0.00 N ATOM 0 H LYS A 60 -11.610 10.739 6.276 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.633 11.197 8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.034 10.272 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.812 10.660 7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.105 12.772 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.654 12.414 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.434 12.919 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.539 14.253 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.673 13.404 6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.552 11.973 7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.017 13.613 8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.656 13.383 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.773 14.770 8.946 1.00 0.00 H new ATOM 944 N ASN A 61 -13.684 8.645 9.080 1.00 0.00 N ATOM 945 CA ASN A 61 -13.760 7.247 9.489 1.00 0.00 C ATOM 946 C ASN A 61 -13.934 6.334 8.279 1.00 0.00 C ATOM 947 O ASN A 61 -13.303 5.282 8.188 1.00 0.00 O ATOM 948 CB ASN A 61 -14.920 7.043 10.466 1.00 0.00 C ATOM 949 CG ASN A 61 -14.555 7.429 11.886 1.00 0.00 C ATOM 950 OD1 ASN A 61 -13.428 7.210 12.330 1.00 0.00 O ATOM 951 ND2 ASN A 61 -15.509 8.007 12.606 1.00 0.00 N ATOM 0 H ASN A 61 -14.508 9.199 9.314 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.825 6.988 9.985 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.775 7.636 10.140 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.230 5.998 10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.322 8.289 13.568 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.429 8.169 12.197 1.00 0.00 H new ATOM 958 N GLU A 62 -14.792 6.747 7.351 1.00 0.00 N ATOM 959 CA GLU A 62 -15.048 5.966 6.147 1.00 0.00 C ATOM 960 C GLU A 62 -13.878 6.071 5.172 1.00 0.00 C ATOM 961 O GLU A 62 -13.542 5.107 4.485 1.00 0.00 O ATOM 962 CB GLU A 62 -16.335 6.440 5.468 1.00 0.00 C ATOM 963 CG GLU A 62 -16.580 5.800 4.112 1.00 0.00 C ATOM 964 CD GLU A 62 -17.932 6.165 3.530 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.956 5.873 4.183 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.965 6.742 2.424 1.00 0.00 O ATOM 0 H GLU A 62 -15.321 7.617 7.410 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.163 4.922 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.181 6.223 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.294 7.523 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.796 6.110 3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.511 4.716 4.208 1.00 0.00 H new ATOM 973 N GLU A 63 -13.263 7.248 5.119 1.00 0.00 N ATOM 974 CA GLU A 63 -12.132 7.479 4.227 1.00 0.00 C ATOM 975 C GLU A 63 -10.998 6.501 4.523 1.00 0.00 C ATOM 976 O GLU A 63 -10.181 6.201 3.653 1.00 0.00 O ATOM 977 CB GLU A 63 -11.630 8.917 4.367 1.00 0.00 C ATOM 978 CG GLU A 63 -12.698 9.964 4.096 1.00 0.00 C ATOM 979 CD GLU A 63 -12.991 10.129 2.617 1.00 0.00 C ATOM 980 OE1 GLU A 63 -12.257 9.538 1.798 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.954 10.848 2.279 1.00 0.00 O ATOM 0 H GLU A 63 -13.528 8.056 5.682 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.470 7.318 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.240 9.060 5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.799 9.071 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.615 9.685 4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.377 10.921 4.508 1.00 0.00 H new ATOM 988 N ARG A 64 -10.955 6.010 5.757 1.00 0.00 N ATOM 989 CA ARG A 64 -9.921 5.068 6.169 1.00 0.00 C ATOM 990 C ARG A 64 -10.446 3.636 6.136 1.00 0.00 C ATOM 991 O ARG A 64 -9.676 2.685 5.993 1.00 0.00 O ATOM 992 CB ARG A 64 -9.423 5.408 7.575 1.00 0.00 C ATOM 993 CG ARG A 64 -8.669 6.725 7.652 1.00 0.00 C ATOM 994 CD ARG A 64 -8.323 7.086 9.088 1.00 0.00 C ATOM 995 NE ARG A 64 -9.366 7.892 9.716 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.279 8.374 10.951 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.202 8.132 11.686 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.270 9.100 11.453 1.00 0.00 N ATOM 0 H ARG A 64 -11.624 6.249 6.489 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.091 5.148 5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.275 5.447 8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.773 4.606 7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.755 6.657 7.062 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.274 7.518 7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.173 6.174 9.665 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.381 7.634 9.107 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.208 8.096 9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.438 7.575 11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.138 8.503 12.634 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.100 9.289 10.891 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.202 9.469 12.401 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.760 3.489 6.269 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.387 2.173 6.256 1.00 0.00 C ATOM 1014 C ARG A 65 -11.953 1.376 5.030 1.00 0.00 C ATOM 1015 O ARG A 65 -11.728 0.169 5.110 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.911 2.310 6.275 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.631 1.046 6.714 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.138 1.247 6.751 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.819 0.157 7.445 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.130 -0.045 7.387 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -18.898 0.764 6.669 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.676 -1.059 8.046 1.00 0.00 N ATOM 0 H ARG A 65 -12.411 4.265 6.387 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.066 1.637 7.149 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.186 3.125 6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.255 2.586 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.388 0.232 6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.278 0.749 7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.366 2.191 7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.519 1.322 5.732 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.257 -0.484 8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.482 1.544 6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.905 0.606 6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.088 -1.684 8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.683 -1.213 8.001 1.00 0.00 H new ATOM 1036 N MET A 66 -11.839 2.059 3.896 1.00 0.00 N ATOM 1037 CA MET A 66 -11.431 1.415 2.653 1.00 0.00 C ATOM 1038 C MET A 66 -10.143 0.621 2.849 1.00 0.00 C ATOM 1039 O MET A 66 -9.935 -0.411 2.210 1.00 0.00 O ATOM 1040 CB MET A 66 -11.237 2.459 1.551 1.00 0.00 C ATOM 1041 CG MET A 66 -10.202 3.518 1.893 1.00 0.00 C ATOM 1042 SD MET A 66 -10.302 4.960 0.815 1.00 0.00 S ATOM 1043 CE MET A 66 -11.943 5.561 1.204 1.00 0.00 C ATOM 0 H MET A 66 -12.023 3.059 3.812 1.00 0.00 H new ATOM 0 HA MET A 66 -12.221 0.725 2.355 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.939 1.954 0.632 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.191 2.946 1.351 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.338 3.833 2.928 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.205 3.083 1.820 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.974 6.643 1.078 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.668 5.097 0.536 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.188 5.309 2.236 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.282 1.109 3.735 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.014 0.446 4.013 1.00 0.00 C ATOM 1055 C TYR A 67 -8.129 -0.461 5.235 1.00 0.00 C ATOM 1056 O TYR A 67 -7.493 -1.513 5.305 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.911 1.482 4.236 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.888 2.576 3.192 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.375 2.342 1.922 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.381 3.844 3.475 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.351 3.339 0.966 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.364 4.846 2.525 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.847 4.589 1.272 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.827 5.584 0.322 1.00 0.00 O ATOM 0 H TYR A 67 -9.439 1.961 4.273 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.758 -0.168 3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.041 1.933 5.220 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.945 0.977 4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.988 1.364 1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.785 4.049 4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.946 3.141 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.753 5.825 2.762 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.746 5.816 0.072 1.00 0.00 H new ATOM 1074 N THR A 68 -8.946 -0.045 6.197 1.00 0.00 N ATOM 1075 CA THR A 68 -9.146 -0.818 7.417 1.00 0.00 C ATOM 1076 C THR A 68 -9.606 -2.236 7.100 1.00 0.00 C ATOM 1077 O THR A 68 -8.907 -3.207 7.394 1.00 0.00 O ATOM 1078 CB THR A 68 -10.181 -0.150 8.342 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.084 1.275 8.237 1.00 0.00 O ATOM 1080 CG2 THR A 68 -9.967 -0.573 9.787 1.00 0.00 C ATOM 0 H THR A 68 -9.480 0.823 6.155 1.00 0.00 H new ATOM 0 HA THR A 68 -8.184 -0.856 7.928 1.00 0.00 H new ATOM 0 HB THR A 68 -11.175 -0.470 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.746 1.692 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.709 -0.089 10.422 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.070 -1.655 9.868 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.968 -0.279 10.108 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.784 -2.350 6.498 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.338 -3.652 6.139 1.00 0.00 C ATOM 1090 C LEU A 69 -10.455 -4.355 5.113 1.00 0.00 C ATOM 1091 O LEU A 69 -10.202 -5.555 5.217 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.754 -3.491 5.585 1.00 0.00 C ATOM 1093 CG LEU A 69 -13.840 -3.149 6.607 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.937 -2.317 5.961 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.418 -4.418 7.215 1.00 0.00 C ATOM 0 H LEU A 69 -11.375 -1.557 6.248 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.375 -4.264 7.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.739 -2.709 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.034 -4.417 5.083 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.389 -2.560 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.701 -2.083 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.511 -1.391 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.386 -2.880 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.189 -4.156 7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.854 -5.033 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.626 -4.976 7.714 1.00 0.00 H new ATOM 1107 N GLU A 70 -9.988 -3.599 4.124 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.133 -4.151 3.081 1.00 0.00 C ATOM 1109 C GLU A 70 -7.917 -4.847 3.685 1.00 0.00 C ATOM 1110 O GLU A 70 -7.719 -6.047 3.500 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.678 -3.045 2.125 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.742 -3.532 1.032 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.324 -4.684 0.236 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -8.234 -5.837 0.706 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.870 -4.431 -0.859 1.00 0.00 O ATOM 0 H GLU A 70 -10.187 -2.604 4.024 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.713 -4.888 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.555 -2.591 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.178 -2.264 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.517 -2.706 0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.798 -3.844 1.479 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.104 -4.084 4.409 1.00 0.00 N ATOM 1123 CA ALA A 71 -5.909 -4.626 5.042 1.00 0.00 C ATOM 1124 C ALA A 71 -6.239 -5.864 5.869 1.00 0.00 C ATOM 1125 O ALA A 71 -5.469 -6.824 5.905 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.247 -3.568 5.913 1.00 0.00 C ATOM 0 H ALA A 71 -7.252 -3.088 4.571 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.214 -4.921 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.355 -3.987 6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.967 -2.713 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.944 -3.245 6.686 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.389 -5.835 6.534 1.00 0.00 N ATOM 1133 CA LYS A 72 -7.823 -6.955 7.362 1.00 0.00 C ATOM 1134 C LYS A 72 -7.969 -8.224 6.527 1.00 0.00 C ATOM 1135 O LYS A 72 -7.320 -9.234 6.798 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.152 -6.626 8.045 1.00 0.00 C ATOM 1137 CG LYS A 72 -9.378 -7.393 9.337 1.00 0.00 C ATOM 1138 CD LYS A 72 -10.690 -7.002 9.995 1.00 0.00 C ATOM 1139 CE LYS A 72 -10.541 -5.740 10.831 1.00 0.00 C ATOM 1140 NZ LYS A 72 -9.740 -5.982 12.063 1.00 0.00 N ATOM 0 H LYS A 72 -8.038 -5.048 6.516 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.063 -7.127 8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.188 -5.557 8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.968 -6.843 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.378 -8.463 9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.554 -7.201 10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.449 -6.845 9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.039 -7.819 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.063 -4.963 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.528 -5.368 11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.909 -5.214 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.021 -6.889 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.729 -6.012 11.820 1.00 0.00 H new