USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 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 41 GLN : amide:sc= -7.42! C(o=-13!,f=-10!) USER MOD Set 1.2: A 45 ASN : amide:sc= -5.43! C(o=-13!,f=-10!) USER MOD Single : A 17 THR OG1 : rot -43:sc= -1.14 USER MOD Single : A 18 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.038) USER MOD Single : A 22 MET CE :methyl -178:sc= -9.14! (180deg=-9.18!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.32) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= -0.0405 (180deg=-0.36) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.52! USER MOD Single : A 65 MET CE :methyl -98:sc= -0.0246 (180deg=-0.89) USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 0.961 10.497 -2.748 1.00 0.00 N ATOM 262 CA THR A 17 2.159 10.566 -3.567 1.00 0.00 C ATOM 263 C THR A 17 2.847 9.201 -3.621 1.00 0.00 C ATOM 264 O THR A 17 2.663 8.373 -2.730 1.00 0.00 O ATOM 265 CB THR A 17 3.052 11.675 -3.006 1.00 0.00 C ATOM 266 OG1 THR A 17 2.907 11.556 -1.593 1.00 0.00 O ATOM 267 CG2 THR A 17 2.516 13.073 -3.320 1.00 0.00 C ATOM 0 HA THR A 17 1.918 10.815 -4.601 1.00 0.00 H new ATOM 0 HB THR A 17 4.058 11.572 -3.413 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.964 11.403 -1.373 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.186 13.823 -2.900 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.455 13.205 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.524 13.189 -2.884 1.00 0.00 H new ATOM 275 N GLN A 18 3.626 9.008 -4.676 1.00 0.00 N ATOM 276 CA GLN A 18 4.342 7.757 -4.858 1.00 0.00 C ATOM 277 C GLN A 18 5.182 7.441 -3.619 1.00 0.00 C ATOM 278 O GLN A 18 5.342 6.278 -3.252 1.00 0.00 O ATOM 279 CB GLN A 18 5.214 7.803 -6.114 1.00 0.00 C ATOM 280 CG GLN A 18 4.882 6.643 -7.055 1.00 0.00 C ATOM 281 CD GLN A 18 6.151 6.075 -7.695 1.00 0.00 C ATOM 282 OE1 GLN A 18 7.057 5.604 -7.027 1.00 0.00 O ATOM 283 NE2 GLN A 18 6.165 6.145 -9.023 1.00 0.00 N ATOM 0 H GLN A 18 3.777 9.697 -5.413 1.00 0.00 H new ATOM 0 HA GLN A 18 3.612 6.959 -4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.063 8.750 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.266 7.758 -5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.367 5.858 -6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.200 6.985 -7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.373 6.552 -9.521 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.968 5.792 -9.544 1.00 0.00 H new ATOM 292 N GLY A 19 5.697 8.498 -3.007 1.00 0.00 N ATOM 293 CA GLY A 19 6.517 8.348 -1.816 1.00 0.00 C ATOM 294 C GLY A 19 5.659 7.988 -0.602 1.00 0.00 C ATOM 295 O GLY A 19 6.113 7.280 0.296 1.00 0.00 O ATOM 0 H GLY A 19 5.562 9.461 -3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.265 7.572 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.057 9.275 -1.622 1.00 0.00 H new ATOM 299 N GLU A 20 4.434 8.492 -0.613 1.00 0.00 N ATOM 300 CA GLU A 20 3.508 8.233 0.477 1.00 0.00 C ATOM 301 C GLU A 20 3.120 6.753 0.503 1.00 0.00 C ATOM 302 O GLU A 20 3.018 6.153 1.572 1.00 0.00 O ATOM 303 CB GLU A 20 2.268 9.123 0.367 1.00 0.00 C ATOM 304 CG GLU A 20 2.534 10.509 0.957 1.00 0.00 C ATOM 305 CD GLU A 20 2.273 10.522 2.465 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.281 9.881 2.874 1.00 0.00 O ATOM 307 OE2 GLU A 20 3.071 11.173 3.173 1.00 0.00 O ATOM 0 H GLU A 20 4.061 9.079 -1.359 1.00 0.00 H new ATOM 0 HA GLU A 20 4.006 8.475 1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.976 9.219 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.433 8.656 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.566 10.800 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.896 11.245 0.468 1.00 0.00 H new ATOM 314 N LEU A 21 2.914 6.207 -0.687 1.00 0.00 N ATOM 315 CA LEU A 21 2.540 4.809 -0.813 1.00 0.00 C ATOM 316 C LEU A 21 3.606 3.937 -0.146 1.00 0.00 C ATOM 317 O LEU A 21 3.281 2.960 0.527 1.00 0.00 O ATOM 318 CB LEU A 21 2.285 4.453 -2.280 1.00 0.00 C ATOM 319 CG LEU A 21 1.205 3.400 -2.536 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.369 2.206 -1.593 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.193 4.014 -2.446 1.00 0.00 C ATOM 0 H LEU A 21 2.999 6.708 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 21 1.601 4.618 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.010 5.364 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.220 4.100 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 21 1.327 3.027 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.589 1.472 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.346 1.750 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.289 2.545 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.941 3.244 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.343 4.433 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.292 4.804 -3.191 1.00 0.00 H new ATOM 333 N MET A 22 4.856 4.322 -0.356 1.00 0.00 N ATOM 334 CA MET A 22 5.971 3.588 0.217 1.00 0.00 C ATOM 335 C MET A 22 5.818 3.454 1.734 1.00 0.00 C ATOM 336 O MET A 22 5.657 2.349 2.249 1.00 0.00 O ATOM 337 CB MET A 22 7.279 4.316 -0.102 1.00 0.00 C ATOM 338 CG MET A 22 8.478 3.574 0.493 1.00 0.00 C ATOM 339 SD MET A 22 8.413 1.848 0.041 1.00 0.00 S ATOM 340 CE MET A 22 8.599 1.984 -1.729 1.00 0.00 C ATOM 0 H MET A 22 5.121 5.133 -0.915 1.00 0.00 H new ATOM 0 HA MET A 22 5.985 2.588 -0.217 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.398 4.400 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.241 5.330 0.295 1.00 0.00 H new ATOM 0 HG2 MET A 22 9.406 4.018 0.133 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.476 3.675 1.578 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.544 0.992 -2.178 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.802 2.609 -2.132 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.565 2.434 -1.960 1.00 0.00 H new ATOM 350 N LYS A 23 5.873 4.594 2.405 1.00 0.00 N ATOM 351 CA LYS A 23 5.743 4.618 3.852 1.00 0.00 C ATOM 352 C LYS A 23 4.379 4.046 4.246 1.00 0.00 C ATOM 353 O LYS A 23 4.226 3.491 5.333 1.00 0.00 O ATOM 354 CB LYS A 23 5.997 6.027 4.390 1.00 0.00 C ATOM 355 CG LYS A 23 7.388 6.132 5.019 1.00 0.00 C ATOM 356 CD LYS A 23 8.004 7.508 4.761 1.00 0.00 C ATOM 357 CE LYS A 23 9.493 7.389 4.429 1.00 0.00 C ATOM 358 NZ LYS A 23 10.169 8.695 4.604 1.00 0.00 N ATOM 0 H LYS A 23 6.006 5.509 1.974 1.00 0.00 H new ATOM 0 HA LYS A 23 6.501 3.985 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.905 6.751 3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.239 6.279 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.320 5.956 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.036 5.357 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.482 7.995 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.873 8.140 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.957 6.643 5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.616 7.044 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.179 8.597 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.737 9.397 3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.067 9.009 5.590 1.00 0.00 H new ATOM 372 N LEU A 24 3.424 4.201 3.341 1.00 0.00 N ATOM 373 CA LEU A 24 2.079 3.707 3.581 1.00 0.00 C ATOM 374 C LEU A 24 2.106 2.178 3.644 1.00 0.00 C ATOM 375 O LEU A 24 1.487 1.579 4.522 1.00 0.00 O ATOM 376 CB LEU A 24 1.110 4.262 2.535 1.00 0.00 C ATOM 377 CG LEU A 24 0.447 5.597 2.877 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.196 6.224 1.638 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.555 5.434 4.021 1.00 0.00 C ATOM 0 H LEU A 24 3.555 4.662 2.440 1.00 0.00 H new ATOM 0 HA LEU A 24 1.709 4.060 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.649 4.377 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.327 3.523 2.366 1.00 0.00 H new ATOM 0 HG LEU A 24 1.220 6.284 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.660 7.172 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.568 6.398 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.954 5.549 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.012 6.398 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.329 4.724 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.039 5.063 4.907 1.00 0.00 H new ATOM 391 N ILE A 25 2.829 1.591 2.702 1.00 0.00 N ATOM 392 CA ILE A 25 2.944 0.144 2.641 1.00 0.00 C ATOM 393 C ILE A 25 3.689 -0.357 3.879 1.00 0.00 C ATOM 394 O ILE A 25 3.295 -1.354 4.484 1.00 0.00 O ATOM 395 CB ILE A 25 3.588 -0.286 1.321 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.545 -0.369 0.204 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.355 -1.600 1.487 1.00 0.00 C ATOM 398 CD1 ILE A 25 3.172 -0.878 -1.095 1.00 0.00 C ATOM 0 H ILE A 25 3.341 2.091 1.975 1.00 0.00 H new ATOM 0 HA ILE A 25 1.957 -0.318 2.654 1.00 0.00 H new ATOM 0 HB ILE A 25 4.312 0.475 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.736 -1.034 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.105 0.614 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.803 -1.883 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.140 -1.472 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.670 -2.383 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.409 -0.927 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.965 -0.198 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.589 -1.872 -0.933 1.00 0.00 H new ATOM 410 N LYS A 26 4.752 0.356 4.221 1.00 0.00 N ATOM 411 CA LYS A 26 5.555 -0.004 5.377 1.00 0.00 C ATOM 412 C LYS A 26 4.712 0.146 6.645 1.00 0.00 C ATOM 413 O LYS A 26 4.779 -0.693 7.542 1.00 0.00 O ATOM 414 CB LYS A 26 6.852 0.807 5.402 1.00 0.00 C ATOM 415 CG LYS A 26 7.989 0.005 6.039 1.00 0.00 C ATOM 416 CD LYS A 26 9.312 0.767 5.955 1.00 0.00 C ATOM 417 CE LYS A 26 9.744 1.269 7.334 1.00 0.00 C ATOM 418 NZ LYS A 26 9.017 2.508 7.687 1.00 0.00 N ATOM 0 H LYS A 26 5.076 1.182 3.717 1.00 0.00 H new ATOM 0 HA LYS A 26 5.860 -1.049 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.127 1.091 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.697 1.730 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.751 -0.204 7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.087 -0.957 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.084 0.118 5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.207 1.611 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.551 0.501 8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.818 1.457 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.323 2.834 8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.222 3.244 6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.995 2.318 7.703 1.00 0.00 H new ATOM 432 N GLU A 27 3.938 1.220 6.679 1.00 0.00 N ATOM 433 CA GLU A 27 3.083 1.491 7.822 1.00 0.00 C ATOM 434 C GLU A 27 2.197 0.279 8.121 1.00 0.00 C ATOM 435 O GLU A 27 1.941 -0.036 9.282 1.00 0.00 O ATOM 436 CB GLU A 27 2.237 2.744 7.590 1.00 0.00 C ATOM 437 CG GLU A 27 0.782 2.376 7.291 1.00 0.00 C ATOM 438 CD GLU A 27 0.046 1.966 8.568 1.00 0.00 C ATOM 439 OE1 GLU A 27 0.592 2.256 9.655 1.00 0.00 O ATOM 440 OE2 GLU A 27 -1.045 1.373 8.429 1.00 0.00 O ATOM 0 H GLU A 27 3.885 1.913 5.933 1.00 0.00 H new ATOM 0 HA GLU A 27 3.717 1.677 8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.280 3.384 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.649 3.317 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.276 3.225 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.751 1.559 6.571 1.00 0.00 H new ATOM 447 N ILE A 28 1.754 -0.368 7.053 1.00 0.00 N ATOM 448 CA ILE A 28 0.903 -1.538 7.186 1.00 0.00 C ATOM 449 C ILE A 28 1.710 -2.682 7.802 1.00 0.00 C ATOM 450 O ILE A 28 1.162 -3.516 8.521 1.00 0.00 O ATOM 451 CB ILE A 28 0.263 -1.890 5.842 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.689 -0.784 5.382 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.430 -3.253 5.906 1.00 0.00 C ATOM 454 CD1 ILE A 28 -0.547 -0.528 3.880 1.00 0.00 C ATOM 0 H ILE A 28 1.969 -0.104 6.091 1.00 0.00 H new ATOM 0 HA ILE A 28 0.074 -1.332 7.863 1.00 0.00 H new ATOM 0 HB ILE A 28 1.054 -1.965 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.717 -1.065 5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.480 0.133 5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.877 -3.480 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.301 -4.021 6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.208 -3.230 6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.235 0.262 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.476 -0.223 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.781 -1.441 3.332 1.00 0.00 H new ATOM 466 N VAL A 29 2.999 -2.686 7.498 1.00 0.00 N ATOM 467 CA VAL A 29 3.887 -3.714 8.013 1.00 0.00 C ATOM 468 C VAL A 29 4.489 -3.246 9.339 1.00 0.00 C ATOM 469 O VAL A 29 5.496 -3.786 9.793 1.00 0.00 O ATOM 470 CB VAL A 29 4.947 -4.063 6.965 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.364 -5.531 7.075 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.452 -3.736 5.555 1.00 0.00 C ATOM 0 H VAL A 29 3.450 -1.993 6.901 1.00 0.00 H new ATOM 0 HA VAL A 29 3.333 -4.631 8.214 1.00 0.00 H new ATOM 0 HB VAL A 29 5.827 -3.450 7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.118 -5.753 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.777 -5.719 8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.494 -6.169 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.224 -3.993 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.550 -4.310 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.229 -2.671 5.485 1.00 0.00 H new ATOM 482 N GLU A 30 3.845 -2.246 9.924 1.00 0.00 N ATOM 483 CA GLU A 30 4.304 -1.699 11.189 1.00 0.00 C ATOM 484 C GLU A 30 4.076 -2.708 12.317 1.00 0.00 C ATOM 485 O GLU A 30 4.811 -2.717 13.304 1.00 0.00 O ATOM 486 CB GLU A 30 3.611 -0.370 11.495 1.00 0.00 C ATOM 487 CG GLU A 30 4.284 0.341 12.671 1.00 0.00 C ATOM 488 CD GLU A 30 3.259 1.111 13.506 1.00 0.00 C ATOM 489 OE1 GLU A 30 2.987 2.275 13.139 1.00 0.00 O ATOM 490 OE2 GLU A 30 2.770 0.519 14.491 1.00 0.00 O ATOM 0 H GLU A 30 3.009 -1.801 9.545 1.00 0.00 H new ATOM 0 HA GLU A 30 5.374 -1.504 11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.640 0.271 10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.561 -0.548 11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.794 -0.390 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.044 1.028 12.299 1.00 0.00 H new ATOM 497 N ASN A 31 3.056 -3.533 12.134 1.00 0.00 N ATOM 498 CA ASN A 31 2.723 -4.543 13.123 1.00 0.00 C ATOM 499 C ASN A 31 2.120 -5.760 12.420 1.00 0.00 C ATOM 500 O ASN A 31 1.006 -6.177 12.738 1.00 0.00 O ATOM 501 CB ASN A 31 1.692 -4.015 14.123 1.00 0.00 C ATOM 502 CG ASN A 31 2.376 -3.304 15.292 1.00 0.00 C ATOM 503 OD1 ASN A 31 2.589 -3.864 16.355 1.00 0.00 O ATOM 504 ND2 ASN A 31 2.707 -2.041 15.038 1.00 0.00 N ATOM 0 H ASN A 31 2.449 -3.522 11.315 1.00 0.00 H new ATOM 0 HA ASN A 31 3.637 -4.810 13.654 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.013 -3.326 13.621 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.088 -4.841 14.498 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.168 -1.481 15.755 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.500 -1.633 14.126 1.00 0.00 H new ATOM 511 N GLU A 32 2.881 -6.297 11.478 1.00 0.00 N ATOM 512 CA GLU A 32 2.435 -7.459 10.727 1.00 0.00 C ATOM 513 C GLU A 32 2.229 -8.650 11.665 1.00 0.00 C ATOM 514 O GLU A 32 2.013 -8.471 12.863 1.00 0.00 O ATOM 515 CB GLU A 32 3.425 -7.804 9.613 1.00 0.00 C ATOM 516 CG GLU A 32 4.679 -8.471 10.180 1.00 0.00 C ATOM 517 CD GLU A 32 4.978 -9.784 9.454 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.332 -9.704 8.258 1.00 0.00 O ATOM 519 OE2 GLU A 32 4.845 -10.839 10.111 1.00 0.00 O ATOM 0 H GLU A 32 3.804 -5.949 11.217 1.00 0.00 H new ATOM 0 HA GLU A 32 1.480 -7.220 10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.949 -8.469 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.703 -6.898 9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.529 -7.796 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.544 -8.663 11.244 1.00 0.00 H new ATOM 526 N ASP A 33 2.302 -9.839 11.085 1.00 0.00 N ATOM 527 CA ASP A 33 2.125 -11.059 11.854 1.00 0.00 C ATOM 528 C ASP A 33 2.781 -12.224 11.111 1.00 0.00 C ATOM 529 O ASP A 33 2.856 -12.219 9.883 1.00 0.00 O ATOM 530 CB ASP A 33 0.642 -11.387 12.033 1.00 0.00 C ATOM 531 CG ASP A 33 0.294 -12.120 13.330 1.00 0.00 C ATOM 532 OD1 ASP A 33 1.141 -12.926 13.772 1.00 0.00 O ATOM 533 OD2 ASP A 33 -0.812 -11.858 13.851 1.00 0.00 O ATOM 0 H ASP A 33 2.481 -9.983 10.091 1.00 0.00 H new ATOM 0 HA ASP A 33 2.582 -10.910 12.833 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.073 -10.458 11.994 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.316 -11.996 11.190 1.00 0.00 H new ATOM 538 N LYS A 34 3.240 -13.195 11.887 1.00 0.00 N ATOM 539 CA LYS A 34 3.887 -14.365 11.317 1.00 0.00 C ATOM 540 C LYS A 34 2.823 -15.306 10.749 1.00 0.00 C ATOM 541 O LYS A 34 3.070 -16.011 9.772 1.00 0.00 O ATOM 542 CB LYS A 34 4.805 -15.025 12.349 1.00 0.00 C ATOM 543 CG LYS A 34 3.990 -15.741 13.428 1.00 0.00 C ATOM 544 CD LYS A 34 3.714 -14.813 14.613 1.00 0.00 C ATOM 545 CE LYS A 34 3.643 -15.602 15.922 1.00 0.00 C ATOM 546 NZ LYS A 34 3.344 -14.699 17.056 1.00 0.00 N ATOM 0 H LYS A 34 3.177 -13.196 12.905 1.00 0.00 H new ATOM 0 HA LYS A 34 4.533 -14.077 10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.463 -15.738 11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.442 -14.270 12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.047 -16.088 13.006 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.530 -16.624 13.771 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.499 -14.060 14.680 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.776 -14.282 14.453 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.874 -16.371 15.849 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.589 -16.114 16.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.299 -15.251 17.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.092 -13.981 17.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.430 -14.230 16.895 1.00 0.00 H new ATOM 560 N ARG A 35 1.662 -15.287 11.387 1.00 0.00 N ATOM 561 CA ARG A 35 0.559 -16.130 10.957 1.00 0.00 C ATOM 562 C ARG A 35 -0.310 -15.389 9.939 1.00 0.00 C ATOM 563 O ARG A 35 -1.228 -15.970 9.361 1.00 0.00 O ATOM 564 CB ARG A 35 -0.308 -16.552 12.146 1.00 0.00 C ATOM 565 CG ARG A 35 0.165 -17.887 12.723 1.00 0.00 C ATOM 566 CD ARG A 35 -0.889 -18.977 12.519 1.00 0.00 C ATOM 567 NE ARG A 35 -1.307 -19.529 13.827 1.00 0.00 N ATOM 568 CZ ARG A 35 -2.201 -18.946 14.638 1.00 0.00 C ATOM 569 NH1 ARG A 35 -2.777 -17.791 14.279 1.00 0.00 N ATOM 570 NH2 ARG A 35 -2.519 -19.519 15.807 1.00 0.00 N ATOM 0 H ARG A 35 1.461 -14.702 12.198 1.00 0.00 H new ATOM 0 HA ARG A 35 0.984 -17.022 10.497 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.270 -15.784 12.919 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.348 -16.636 11.831 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.098 -18.184 12.244 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.375 -17.774 13.787 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.752 -18.566 11.996 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.485 -19.772 11.892 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.889 -20.408 14.130 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.535 -17.356 13.389 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.457 -17.347 14.896 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.081 -20.399 16.080 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.199 -19.075 16.424 1.00 0.00 H new ATOM 584 N LYS A 36 0.009 -14.117 9.751 1.00 0.00 N ATOM 585 CA LYS A 36 -0.731 -13.291 8.812 1.00 0.00 C ATOM 586 C LYS A 36 0.043 -11.996 8.559 1.00 0.00 C ATOM 587 O LYS A 36 -0.385 -10.921 8.975 1.00 0.00 O ATOM 588 CB LYS A 36 -2.161 -13.066 9.308 1.00 0.00 C ATOM 589 CG LYS A 36 -3.010 -12.374 8.240 1.00 0.00 C ATOM 590 CD LYS A 36 -3.848 -13.391 7.462 1.00 0.00 C ATOM 591 CE LYS A 36 -5.151 -13.705 8.200 1.00 0.00 C ATOM 592 NZ LYS A 36 -6.288 -13.735 7.252 1.00 0.00 N ATOM 0 H LYS A 36 0.770 -13.638 10.233 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.827 -13.798 7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.612 -14.022 9.573 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.144 -12.459 10.214 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.665 -11.641 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.363 -11.829 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.073 -13.000 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.275 -14.308 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.067 -14.666 8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.331 -12.954 8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.165 -13.949 7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.377 -12.809 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.122 -14.468 6.533 1.00 0.00 H new ATOM 606 N PRO A 37 1.200 -12.145 7.859 1.00 0.00 N ATOM 607 CA PRO A 37 2.038 -11.000 7.546 1.00 0.00 C ATOM 608 C PRO A 37 1.425 -10.164 6.421 1.00 0.00 C ATOM 609 O PRO A 37 0.613 -10.663 5.643 1.00 0.00 O ATOM 610 CB PRO A 37 3.389 -11.591 7.178 1.00 0.00 C ATOM 611 CG PRO A 37 3.130 -13.052 6.849 1.00 0.00 C ATOM 612 CD PRO A 37 1.739 -13.403 7.351 1.00 0.00 C ATOM 0 HA PRO A 37 2.135 -10.308 8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.824 -11.070 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.095 -11.496 8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.202 -13.220 5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.878 -13.688 7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.119 -13.805 6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.780 -14.161 8.133 1.00 0.00 H new ATOM 620 N TYR A 38 1.837 -8.906 6.370 1.00 0.00 N ATOM 621 CA TYR A 38 1.339 -7.996 5.353 1.00 0.00 C ATOM 622 C TYR A 38 2.154 -8.115 4.064 1.00 0.00 C ATOM 623 O TYR A 38 2.821 -7.165 3.657 1.00 0.00 O ATOM 624 CB TYR A 38 1.514 -6.587 5.925 1.00 0.00 C ATOM 625 CG TYR A 38 0.524 -6.240 7.039 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.825 -6.159 6.761 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.980 -6.008 8.320 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.757 -5.832 7.809 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.049 -5.681 9.368 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.274 -5.610 9.061 1.00 0.00 C ATOM 631 OH TYR A 38 -2.155 -5.301 10.051 1.00 0.00 O ATOM 0 H TYR A 38 2.510 -8.495 7.017 1.00 0.00 H new ATOM 0 HA TYR A 38 0.301 -8.223 5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.529 -6.486 6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.406 -5.862 5.118 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.182 -6.341 5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.036 -6.072 8.537 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.815 -5.765 7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.393 -5.496 10.375 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.669 -5.170 10.892 1.00 0.00 H new ATOM 641 N SER A 39 2.072 -9.289 3.456 1.00 0.00 N ATOM 642 CA SER A 39 2.794 -9.545 2.221 1.00 0.00 C ATOM 643 C SER A 39 2.160 -8.758 1.072 1.00 0.00 C ATOM 644 O SER A 39 1.066 -8.214 1.217 1.00 0.00 O ATOM 645 CB SER A 39 2.814 -11.039 1.894 1.00 0.00 C ATOM 646 OG SER A 39 3.045 -11.836 3.052 1.00 0.00 O ATOM 0 H SER A 39 1.516 -10.074 3.796 1.00 0.00 H new ATOM 0 HA SER A 39 3.825 -9.216 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.864 -11.324 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.591 -11.238 1.156 1.00 0.00 H new ATOM 0 HG SER A 39 3.049 -12.783 2.802 1.00 0.00 H new ATOM 652 N ASP A 40 2.874 -8.723 -0.043 1.00 0.00 N ATOM 653 CA ASP A 40 2.395 -8.012 -1.216 1.00 0.00 C ATOM 654 C ASP A 40 0.901 -8.286 -1.398 1.00 0.00 C ATOM 655 O ASP A 40 0.155 -7.412 -1.836 1.00 0.00 O ATOM 656 CB ASP A 40 3.119 -8.483 -2.479 1.00 0.00 C ATOM 657 CG ASP A 40 2.544 -9.747 -3.121 1.00 0.00 C ATOM 658 OD1 ASP A 40 1.418 -9.651 -3.656 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.244 -10.781 -3.063 1.00 0.00 O ATOM 0 H ASP A 40 3.781 -9.176 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 40 2.584 -6.949 -1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.097 -7.678 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.166 -8.662 -2.234 1.00 0.00 H new ATOM 664 N GLN A 41 0.508 -9.503 -1.052 1.00 0.00 N ATOM 665 CA GLN A 41 -0.884 -9.903 -1.172 1.00 0.00 C ATOM 666 C GLN A 41 -1.756 -9.081 -0.220 1.00 0.00 C ATOM 667 O GLN A 41 -2.799 -8.566 -0.618 1.00 0.00 O ATOM 668 CB GLN A 41 -1.048 -11.401 -0.911 1.00 0.00 C ATOM 669 CG GLN A 41 -2.225 -11.668 0.029 1.00 0.00 C ATOM 670 CD GLN A 41 -3.555 -11.320 -0.644 1.00 0.00 C ATOM 671 OE1 GLN A 41 -3.628 -11.060 -1.834 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.598 -11.330 0.181 1.00 0.00 N ATOM 0 H GLN A 41 1.129 -10.226 -0.688 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.212 -9.708 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.206 -11.923 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.132 -11.800 -0.475 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.227 -12.717 0.326 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.109 -11.079 0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.466 -11.556 1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.530 -11.111 -0.172 1.00 0.00 H new ATOM 681 N GLU A 42 -1.295 -8.986 1.019 1.00 0.00 N ATOM 682 CA GLU A 42 -2.020 -8.236 2.030 1.00 0.00 C ATOM 683 C GLU A 42 -2.116 -6.762 1.631 1.00 0.00 C ATOM 684 O GLU A 42 -3.195 -6.275 1.296 1.00 0.00 O ATOM 685 CB GLU A 42 -1.363 -8.390 3.403 1.00 0.00 C ATOM 686 CG GLU A 42 -2.416 -8.430 4.513 1.00 0.00 C ATOM 687 CD GLU A 42 -1.917 -9.238 5.713 1.00 0.00 C ATOM 688 OE1 GLU A 42 -1.908 -10.482 5.594 1.00 0.00 O ATOM 689 OE2 GLU A 42 -1.557 -8.593 6.721 1.00 0.00 O ATOM 0 H GLU A 42 -0.429 -9.416 1.345 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.030 -8.640 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.770 -9.304 3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.677 -7.561 3.577 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.656 -7.415 4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.336 -8.871 4.130 1.00 0.00 H new ATOM 696 N ILE A 43 -0.974 -6.093 1.681 1.00 0.00 N ATOM 697 CA ILE A 43 -0.915 -4.684 1.329 1.00 0.00 C ATOM 698 C ILE A 43 -1.761 -4.440 0.077 1.00 0.00 C ATOM 699 O ILE A 43 -2.542 -3.491 0.026 1.00 0.00 O ATOM 700 CB ILE A 43 0.538 -4.227 1.187 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.994 -3.459 2.430 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.735 -3.414 -0.094 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.059 -4.243 3.199 1.00 0.00 C ATOM 0 H ILE A 43 -0.082 -6.500 1.960 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.340 -4.074 2.126 1.00 0.00 H new ATOM 0 HB ILE A 43 1.169 -5.112 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.393 -2.488 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.139 -3.269 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.777 -3.102 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.476 -4.027 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.093 -2.533 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.366 -3.675 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.649 -5.203 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.923 -4.411 2.556 1.00 0.00 H new ATOM 715 N ALA A 44 -1.577 -5.314 -0.902 1.00 0.00 N ATOM 716 CA ALA A 44 -2.313 -5.205 -2.150 1.00 0.00 C ATOM 717 C ALA A 44 -3.814 -5.234 -1.856 1.00 0.00 C ATOM 718 O ALA A 44 -4.576 -4.451 -2.419 1.00 0.00 O ATOM 719 CB ALA A 44 -1.883 -6.328 -3.096 1.00 0.00 C ATOM 0 H ALA A 44 -0.929 -6.100 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.092 -4.259 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.435 -6.246 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.815 -6.246 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.092 -7.293 -2.634 1.00 0.00 H new ATOM 725 N ASN A 45 -4.194 -6.147 -0.973 1.00 0.00 N ATOM 726 CA ASN A 45 -5.590 -6.289 -0.597 1.00 0.00 C ATOM 727 C ASN A 45 -6.058 -5.011 0.103 1.00 0.00 C ATOM 728 O ASN A 45 -7.183 -4.560 -0.106 1.00 0.00 O ATOM 729 CB ASN A 45 -5.784 -7.457 0.371 1.00 0.00 C ATOM 730 CG ASN A 45 -6.096 -8.750 -0.385 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.169 -9.321 -0.274 1.00 0.00 O ATOM 732 ND2 ASN A 45 -5.102 -9.179 -1.157 1.00 0.00 N ATOM 0 H ASN A 45 -3.559 -6.795 -0.508 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.166 -6.473 -1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.884 -7.590 0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.596 -7.230 1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.212 -10.034 -1.702 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.229 -8.653 -1.204 1.00 0.00 H new ATOM 739 N ILE A 46 -5.170 -4.464 0.921 1.00 0.00 N ATOM 740 CA ILE A 46 -5.478 -3.248 1.654 1.00 0.00 C ATOM 741 C ILE A 46 -5.908 -2.159 0.669 1.00 0.00 C ATOM 742 O ILE A 46 -6.788 -1.355 0.973 1.00 0.00 O ATOM 743 CB ILE A 46 -4.298 -2.843 2.540 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.245 -3.699 3.807 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.339 -1.348 2.859 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.107 -3.249 4.726 1.00 0.00 C ATOM 0 H ILE A 46 -4.238 -4.841 1.092 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.315 -3.414 2.332 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.377 -3.028 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.195 -3.629 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.107 -4.746 3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.489 -1.087 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.292 -0.777 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.266 -1.113 3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.092 -3.874 5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.156 -3.343 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.261 -2.209 5.014 1.00 0.00 H new ATOM 758 N LEU A 47 -5.269 -2.169 -0.492 1.00 0.00 N ATOM 759 CA LEU A 47 -5.575 -1.193 -1.523 1.00 0.00 C ATOM 760 C LEU A 47 -7.065 -1.266 -1.863 1.00 0.00 C ATOM 761 O LEU A 47 -7.667 -0.265 -2.248 1.00 0.00 O ATOM 762 CB LEU A 47 -4.658 -1.386 -2.733 1.00 0.00 C ATOM 763 CG LEU A 47 -5.209 -2.263 -3.859 1.00 0.00 C ATOM 764 CD1 LEU A 47 -6.028 -1.434 -4.850 1.00 0.00 C ATOM 765 CD2 LEU A 47 -4.085 -3.038 -4.550 1.00 0.00 C ATOM 0 H LEU A 47 -4.540 -2.838 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.379 -0.183 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.423 -0.405 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.720 -1.820 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.884 -2.998 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.408 -2.082 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.865 -0.967 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.396 -0.661 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.504 -3.654 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.366 -2.336 -4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.583 -3.677 -3.823 1.00 0.00 H new ATOM 777 N LYS A 48 -7.616 -2.461 -1.707 1.00 0.00 N ATOM 778 CA LYS A 48 -9.024 -2.678 -1.993 1.00 0.00 C ATOM 779 C LYS A 48 -9.865 -1.711 -1.156 1.00 0.00 C ATOM 780 O LYS A 48 -10.980 -1.361 -1.540 1.00 0.00 O ATOM 781 CB LYS A 48 -9.392 -4.148 -1.787 1.00 0.00 C ATOM 782 CG LYS A 48 -10.534 -4.563 -2.717 1.00 0.00 C ATOM 783 CD LYS A 48 -11.017 -5.979 -2.395 1.00 0.00 C ATOM 784 CE LYS A 48 -12.202 -5.947 -1.428 1.00 0.00 C ATOM 785 NZ LYS A 48 -13.406 -5.410 -2.101 1.00 0.00 N ATOM 0 H LYS A 48 -7.113 -3.288 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.237 -2.463 -3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.520 -4.775 -1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.685 -4.311 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.362 -3.861 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.199 -4.516 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.307 -6.486 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.201 -6.555 -1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.403 -6.952 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.957 -5.331 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.259 -5.768 -1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.395 -4.371 -2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.412 -5.713 -3.096 1.00 0.00 H new ATOM 799 N GLU A 49 -9.297 -1.306 -0.029 1.00 0.00 N ATOM 800 CA GLU A 49 -9.981 -0.387 0.864 1.00 0.00 C ATOM 801 C GLU A 49 -10.189 0.965 0.178 1.00 0.00 C ATOM 802 O GLU A 49 -10.691 1.906 0.791 1.00 0.00 O ATOM 803 CB GLU A 49 -9.210 -0.222 2.176 1.00 0.00 C ATOM 804 CG GLU A 49 -10.142 -0.366 3.381 1.00 0.00 C ATOM 805 CD GLU A 49 -10.105 0.890 4.254 1.00 0.00 C ATOM 806 OE1 GLU A 49 -8.992 1.433 4.421 1.00 0.00 O ATOM 807 OE2 GLU A 49 -11.192 1.278 4.736 1.00 0.00 O ATOM 0 H GLU A 49 -8.372 -1.598 0.285 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.959 -0.805 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.418 -0.969 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.729 0.756 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.161 -0.545 3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.847 -1.233 3.972 1.00 0.00 H new ATOM 885 N VAL A 54 -3.349 0.129 -5.674 1.00 0.00 N ATOM 886 CA VAL A 54 -2.096 -0.475 -6.096 1.00 0.00 C ATOM 887 C VAL A 54 -2.391 -1.677 -6.995 1.00 0.00 C ATOM 888 O VAL A 54 -3.293 -1.626 -7.829 1.00 0.00 O ATOM 889 CB VAL A 54 -1.251 -0.836 -4.872 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.235 -0.896 -5.230 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.500 0.145 -3.725 1.00 0.00 C ATOM 0 HA VAL A 54 -1.509 0.232 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.555 -1.827 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.813 -1.154 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.394 -1.652 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.559 0.075 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.887 -0.134 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.238 1.153 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.553 0.116 -3.443 1.00 0.00 H new ATOM 901 N ALA A 55 -1.613 -2.730 -6.794 1.00 0.00 N ATOM 902 CA ALA A 55 -1.780 -3.943 -7.576 1.00 0.00 C ATOM 903 C ALA A 55 -0.616 -4.894 -7.289 1.00 0.00 C ATOM 904 O ALA A 55 0.533 -4.466 -7.201 1.00 0.00 O ATOM 905 CB ALA A 55 -1.886 -3.584 -9.060 1.00 0.00 C ATOM 0 H ALA A 55 -0.865 -2.768 -6.101 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.701 -4.455 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.011 -4.494 -9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.745 -2.931 -9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.978 -3.071 -9.376 1.00 0.00 H new ATOM 911 N ARG A 56 -0.955 -6.168 -7.150 1.00 0.00 N ATOM 912 CA ARG A 56 0.048 -7.183 -6.874 1.00 0.00 C ATOM 913 C ARG A 56 1.368 -6.825 -7.559 1.00 0.00 C ATOM 914 O ARG A 56 2.434 -6.927 -6.953 1.00 0.00 O ATOM 915 CB ARG A 56 -0.414 -8.559 -7.360 1.00 0.00 C ATOM 916 CG ARG A 56 -1.024 -8.470 -8.760 1.00 0.00 C ATOM 917 CD ARG A 56 -1.900 -9.689 -9.055 1.00 0.00 C ATOM 918 NE ARG A 56 -1.052 -10.885 -9.256 1.00 0.00 N ATOM 919 CZ ARG A 56 -0.241 -11.063 -10.308 1.00 0.00 C ATOM 920 NH1 ARG A 56 -0.163 -10.123 -11.260 1.00 0.00 N ATOM 921 NH2 ARG A 56 0.492 -12.180 -10.407 1.00 0.00 N ATOM 0 H ARG A 56 -1.909 -6.520 -7.223 1.00 0.00 H new ATOM 0 HA ARG A 56 0.194 -7.221 -5.794 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.431 -9.247 -7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.148 -8.966 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.620 -7.561 -8.844 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.229 -8.400 -9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.592 -9.858 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.503 -9.507 -9.945 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.087 -11.620 -8.550 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.721 -9.272 -11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.454 -10.258 -12.061 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.433 -12.895 -9.682 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.109 -12.316 -11.208 1.00 0.00 H new ATOM 935 N ARG A 57 1.255 -6.413 -8.813 1.00 0.00 N ATOM 936 CA ARG A 57 2.427 -6.039 -9.587 1.00 0.00 C ATOM 937 C ARG A 57 3.156 -4.873 -8.916 1.00 0.00 C ATOM 938 O ARG A 57 4.336 -4.982 -8.587 1.00 0.00 O ATOM 939 CB ARG A 57 2.041 -5.638 -11.012 1.00 0.00 C ATOM 940 CG ARG A 57 2.899 -6.376 -12.041 1.00 0.00 C ATOM 941 CD ARG A 57 3.919 -5.433 -12.682 1.00 0.00 C ATOM 942 NE ARG A 57 4.904 -6.210 -13.468 1.00 0.00 N ATOM 943 CZ ARG A 57 4.660 -6.723 -14.682 1.00 0.00 C ATOM 944 NH1 ARG A 57 3.463 -6.543 -15.256 1.00 0.00 N ATOM 945 NH2 ARG A 57 5.613 -7.415 -15.321 1.00 0.00 N ATOM 0 H ARG A 57 0.370 -6.330 -9.313 1.00 0.00 H new ATOM 0 HA ARG A 57 3.086 -6.906 -9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.988 -5.862 -11.184 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.163 -4.562 -11.136 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.417 -7.205 -11.560 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.260 -6.805 -12.813 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.409 -4.718 -13.328 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.430 -4.858 -11.910 1.00 0.00 H new ATOM 0 HE ARG A 57 5.826 -6.365 -13.060 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.738 -6.016 -14.769 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.277 -6.933 -16.180 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.524 -7.551 -14.884 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.427 -7.805 -16.245 1.00 0.00 H new ATOM 959 N THR A 58 2.423 -3.785 -8.733 1.00 0.00 N ATOM 960 CA THR A 58 2.985 -2.600 -8.108 1.00 0.00 C ATOM 961 C THR A 58 3.444 -2.916 -6.683 1.00 0.00 C ATOM 962 O THR A 58 4.494 -2.448 -6.246 1.00 0.00 O ATOM 963 CB THR A 58 1.938 -1.487 -8.176 1.00 0.00 C ATOM 964 OG1 THR A 58 2.162 -0.877 -9.444 1.00 0.00 O ATOM 965 CG2 THR A 58 2.208 -0.366 -7.170 1.00 0.00 C ATOM 0 H THR A 58 1.444 -3.699 -9.007 1.00 0.00 H new ATOM 0 HA THR A 58 3.876 -2.260 -8.636 1.00 0.00 H new ATOM 0 HB THR A 58 0.949 -1.908 -7.993 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.524 -0.144 -9.572 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.436 0.398 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.198 -0.774 -6.159 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.183 0.078 -7.373 1.00 0.00 H new ATOM 973 N VAL A 59 2.633 -3.709 -5.997 1.00 0.00 N ATOM 974 CA VAL A 59 2.943 -4.093 -4.630 1.00 0.00 C ATOM 975 C VAL A 59 4.235 -4.912 -4.615 1.00 0.00 C ATOM 976 O VAL A 59 5.073 -4.741 -3.731 1.00 0.00 O ATOM 977 CB VAL A 59 1.756 -4.837 -4.014 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.874 -4.891 -2.490 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.430 -4.203 -4.440 1.00 0.00 C ATOM 0 H VAL A 59 1.763 -4.096 -6.362 1.00 0.00 H new ATOM 0 HA VAL A 59 3.111 -3.210 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 59 1.772 -5.861 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.018 -5.425 -2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.792 -5.409 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.896 -3.877 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.397 -4.751 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.401 -3.165 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.341 -4.241 -5.526 1.00 0.00 H new ATOM 989 N ALA A 60 4.356 -5.785 -5.604 1.00 0.00 N ATOM 990 CA ALA A 60 5.532 -6.632 -5.716 1.00 0.00 C ATOM 991 C ALA A 60 6.784 -5.754 -5.752 1.00 0.00 C ATOM 992 O ALA A 60 7.784 -6.067 -5.107 1.00 0.00 O ATOM 993 CB ALA A 60 5.406 -7.519 -6.956 1.00 0.00 C ATOM 0 H ALA A 60 3.659 -5.924 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 60 5.615 -7.291 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.288 -8.154 -7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.516 -8.143 -6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.324 -6.893 -7.844 1.00 0.00 H new ATOM 999 N LYS A 61 6.690 -4.673 -6.512 1.00 0.00 N ATOM 1000 CA LYS A 61 7.803 -3.748 -6.640 1.00 0.00 C ATOM 1001 C LYS A 61 8.091 -3.112 -5.279 1.00 0.00 C ATOM 1002 O LYS A 61 9.249 -2.977 -4.886 1.00 0.00 O ATOM 1003 CB LYS A 61 7.529 -2.730 -7.749 1.00 0.00 C ATOM 1004 CG LYS A 61 8.163 -3.173 -9.069 1.00 0.00 C ATOM 1005 CD LYS A 61 8.689 -1.971 -9.856 1.00 0.00 C ATOM 1006 CE LYS A 61 9.802 -2.390 -10.818 1.00 0.00 C ATOM 1007 NZ LYS A 61 10.320 -1.215 -11.554 1.00 0.00 N ATOM 0 H LYS A 61 5.859 -4.417 -7.046 1.00 0.00 H new ATOM 0 HA LYS A 61 8.706 -4.278 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.454 -2.610 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.925 -1.757 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.980 -3.867 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.427 -3.710 -9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.873 -1.513 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.065 -1.216 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.611 -2.865 -10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.422 -3.130 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.075 -1.517 -12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.549 -0.779 -12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.701 -0.522 -10.878 1.00 0.00 H new ATOM 1021 N TYR A 62 7.019 -2.739 -4.597 1.00 0.00 N ATOM 1022 CA TYR A 62 7.142 -2.120 -3.288 1.00 0.00 C ATOM 1023 C TYR A 62 7.792 -3.079 -2.288 1.00 0.00 C ATOM 1024 O TYR A 62 8.604 -2.664 -1.463 1.00 0.00 O ATOM 1025 CB TYR A 62 5.715 -1.814 -2.830 1.00 0.00 C ATOM 1026 CG TYR A 62 5.187 -0.458 -3.303 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.801 0.705 -2.886 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.096 -0.399 -4.147 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.304 1.981 -3.332 1.00 0.00 C ATOM 1030 CE2 TYR A 62 3.599 0.877 -4.593 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.228 2.004 -4.163 1.00 0.00 C ATOM 1032 OH TYR A 62 3.758 3.209 -4.584 1.00 0.00 O ATOM 0 H TYR A 62 6.060 -2.853 -4.926 1.00 0.00 H new ATOM 0 HA TYR A 62 7.764 -1.226 -3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.051 -2.598 -3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.679 -1.847 -1.741 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.654 0.659 -2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.615 -1.310 -4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.775 2.899 -3.014 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.747 0.938 -5.254 1.00 0.00 H new ATOM 0 HH TYR A 62 2.987 3.072 -5.173 1.00 0.00 H new ATOM 1042 N ARG A 63 7.409 -4.343 -2.394 1.00 0.00 N ATOM 1043 CA ARG A 63 7.943 -5.363 -1.509 1.00 0.00 C ATOM 1044 C ARG A 63 9.471 -5.285 -1.470 1.00 0.00 C ATOM 1045 O ARG A 63 10.075 -5.406 -0.405 1.00 0.00 O ATOM 1046 CB ARG A 63 7.523 -6.762 -1.964 1.00 0.00 C ATOM 1047 CG ARG A 63 8.122 -7.838 -1.055 1.00 0.00 C ATOM 1048 CD ARG A 63 7.399 -7.882 0.292 1.00 0.00 C ATOM 1049 NE ARG A 63 8.385 -7.892 1.396 1.00 0.00 N ATOM 1050 CZ ARG A 63 8.083 -8.177 2.670 1.00 0.00 C ATOM 1051 NH1 ARG A 63 6.822 -8.478 3.009 1.00 0.00 N ATOM 1052 NH2 ARG A 63 9.043 -8.162 3.605 1.00 0.00 N ATOM 0 H ARG A 63 6.735 -4.684 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 63 7.540 -5.181 -0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.436 -6.839 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.848 -6.927 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.051 -8.811 -1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.182 -7.637 -0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.741 -7.019 0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.770 -8.770 0.347 1.00 0.00 H new ATOM 0 HE ARG A 63 9.355 -7.668 1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.092 -8.490 2.297 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.593 -8.695 3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.003 -7.934 3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.814 -8.379 4.575 1.00 0.00 H new ATOM 1066 N GLU A 64 10.051 -5.082 -2.644 1.00 0.00 N ATOM 1067 CA GLU A 64 11.497 -4.986 -2.757 1.00 0.00 C ATOM 1068 C GLU A 64 11.993 -3.684 -2.125 1.00 0.00 C ATOM 1069 O GLU A 64 13.037 -3.664 -1.475 1.00 0.00 O ATOM 1070 CB GLU A 64 11.940 -5.091 -4.217 1.00 0.00 C ATOM 1071 CG GLU A 64 12.340 -6.526 -4.568 1.00 0.00 C ATOM 1072 CD GLU A 64 13.594 -6.548 -5.444 1.00 0.00 C ATOM 1073 OE1 GLU A 64 13.459 -6.198 -6.636 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.659 -6.913 -4.901 1.00 0.00 O ATOM 0 H GLU A 64 9.546 -4.981 -3.525 1.00 0.00 H new ATOM 0 HA GLU A 64 11.941 -5.821 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.131 -4.765 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.782 -4.422 -4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.521 -7.091 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.519 -7.019 -5.089 1.00 0.00 H new ATOM 1081 N MET A 65 11.222 -2.628 -2.339 1.00 0.00 N ATOM 1082 CA MET A 65 11.570 -1.325 -1.798 1.00 0.00 C ATOM 1083 C MET A 65 11.468 -1.320 -0.272 1.00 0.00 C ATOM 1084 O MET A 65 12.279 -0.690 0.406 1.00 0.00 O ATOM 1085 CB MET A 65 10.631 -0.265 -2.377 1.00 0.00 C ATOM 1086 CG MET A 65 11.135 0.231 -3.734 1.00 0.00 C ATOM 1087 SD MET A 65 10.096 1.558 -4.322 1.00 0.00 S ATOM 1088 CE MET A 65 9.019 0.647 -5.416 1.00 0.00 C ATOM 0 H MET A 65 10.357 -2.648 -2.880 1.00 0.00 H new ATOM 0 HA MET A 65 12.600 -1.100 -2.075 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.630 -0.682 -2.487 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.553 0.574 -1.685 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.165 0.577 -3.645 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.135 -0.588 -4.453 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.375 0.745 -6.442 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.017 -0.405 -5.132 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.006 1.044 -5.343 1.00 0.00 H new ATOM 1098 N LEU A 66 10.465 -2.029 0.225 1.00 0.00 N ATOM 1099 CA LEU A 66 10.247 -2.114 1.659 1.00 0.00 C ATOM 1100 C LEU A 66 11.457 -2.778 2.317 1.00 0.00 C ATOM 1101 O LEU A 66 12.162 -2.151 3.106 1.00 0.00 O ATOM 1102 CB LEU A 66 8.921 -2.817 1.958 1.00 0.00 C ATOM 1103 CG LEU A 66 7.672 -1.933 1.934 1.00 0.00 C ATOM 1104 CD1 LEU A 66 7.802 -0.773 2.924 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.374 -1.444 0.515 1.00 0.00 C ATOM 0 H LEU A 66 9.794 -2.550 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 66 10.158 -1.117 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.787 -3.620 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.993 -3.283 2.941 1.00 0.00 H new ATOM 0 HG LEU A 66 6.821 -2.535 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.901 -0.160 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.931 -1.168 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.666 -0.164 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.482 -0.818 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.220 -0.864 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.208 -2.301 -0.138 1.00 0.00 H new