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= -6.32! C(o=-11!,f=-11!) USER MOD Set 1.2: A 45 ASN : amide:sc= -4.45! K(o=-11!,f=-8.3) USER MOD Single : A 17 THR OG1 : rot -46:sc= -0.917 USER MOD Single : A 18 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.6!) USER MOD Single : A 22 MET CE :methyl -178:sc= -4.01 (180deg=-4.26) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0499) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.24! C(o=-3.2!,f=-1.4!) 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+ 180:sc= 0 (180deg=0) 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 -33:sc= -0.172 USER MOD Single : A 65 MET CE :methyl -148:sc= -0.329 (180deg=-1.77) USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 1.972 10.105 -3.756 1.00 0.00 N ATOM 262 CA THR A 17 3.220 9.902 -4.471 1.00 0.00 C ATOM 263 C THR A 17 3.714 8.466 -4.285 1.00 0.00 C ATOM 264 O THR A 17 3.350 7.802 -3.316 1.00 0.00 O ATOM 265 CB THR A 17 4.220 10.955 -3.987 1.00 0.00 C ATOM 266 OG1 THR A 17 4.018 11.002 -2.577 1.00 0.00 O ATOM 267 CG2 THR A 17 3.861 12.364 -4.462 1.00 0.00 C ATOM 0 HA THR A 17 3.085 10.030 -5.545 1.00 0.00 H new ATOM 0 HB THR A 17 5.219 10.697 -4.339 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.058 11.037 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.602 13.073 -4.091 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.849 12.389 -5.552 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.876 12.636 -4.082 1.00 0.00 H new ATOM 275 N GLN A 18 4.533 8.028 -5.230 1.00 0.00 N ATOM 276 CA GLN A 18 5.080 6.683 -5.183 1.00 0.00 C ATOM 277 C GLN A 18 5.854 6.470 -3.880 1.00 0.00 C ATOM 278 O GLN A 18 5.860 5.370 -3.330 1.00 0.00 O ATOM 279 CB GLN A 18 5.967 6.408 -6.399 1.00 0.00 C ATOM 280 CG GLN A 18 5.203 5.628 -7.470 1.00 0.00 C ATOM 281 CD GLN A 18 4.651 6.567 -8.544 1.00 0.00 C ATOM 282 OE1 GLN A 18 4.876 7.766 -8.531 1.00 0.00 O ATOM 283 NE2 GLN A 18 3.918 5.958 -9.471 1.00 0.00 N ATOM 0 H GLN A 18 4.831 8.581 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 18 4.252 5.974 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.322 7.351 -6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.847 5.843 -6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.863 4.893 -7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.384 5.077 -7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.769 4.950 -9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.505 6.499 -10.231 1.00 0.00 H new ATOM 292 N GLY A 19 6.488 7.540 -3.424 1.00 0.00 N ATOM 293 CA GLY A 19 7.264 7.484 -2.197 1.00 0.00 C ATOM 294 C GLY A 19 6.349 7.411 -0.973 1.00 0.00 C ATOM 295 O GLY A 19 6.689 6.777 0.024 1.00 0.00 O ATOM 0 H GLY A 19 6.480 8.451 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.921 6.614 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.903 8.364 -2.126 1.00 0.00 H new ATOM 299 N GLU A 20 5.204 8.069 -1.089 1.00 0.00 N ATOM 300 CA GLU A 20 4.238 8.086 -0.005 1.00 0.00 C ATOM 301 C GLU A 20 3.637 6.693 0.193 1.00 0.00 C ATOM 302 O GLU A 20 3.455 6.247 1.325 1.00 0.00 O ATOM 303 CB GLU A 20 3.143 9.124 -0.263 1.00 0.00 C ATOM 304 CG GLU A 20 3.501 10.468 0.376 1.00 0.00 C ATOM 305 CD GLU A 20 2.329 11.015 1.193 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.200 10.982 0.660 1.00 0.00 O ATOM 307 OE2 GLU A 20 2.590 11.455 2.334 1.00 0.00 O ATOM 0 H GLU A 20 4.924 8.594 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 20 4.755 8.371 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.005 9.253 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.195 8.766 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.373 10.348 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.773 11.183 -0.400 1.00 0.00 H new ATOM 314 N LEU A 21 3.345 6.045 -0.925 1.00 0.00 N ATOM 315 CA LEU A 21 2.769 4.712 -0.889 1.00 0.00 C ATOM 316 C LEU A 21 3.711 3.774 -0.133 1.00 0.00 C ATOM 317 O LEU A 21 3.263 2.929 0.641 1.00 0.00 O ATOM 318 CB LEU A 21 2.431 4.236 -2.303 1.00 0.00 C ATOM 319 CG LEU A 21 1.209 3.324 -2.430 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.112 2.368 -1.239 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.070 4.144 -2.613 1.00 0.00 C ATOM 0 H LEU A 21 3.497 6.419 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 21 1.824 4.720 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.272 5.112 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.296 3.708 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 21 1.330 2.713 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.235 1.731 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.008 1.748 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.024 2.943 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.924 3.472 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.210 4.797 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.011 4.748 -3.517 1.00 0.00 H new ATOM 333 N MET A 22 5.000 3.954 -0.382 1.00 0.00 N ATOM 334 CA MET A 22 6.010 3.134 0.265 1.00 0.00 C ATOM 335 C MET A 22 5.840 3.155 1.786 1.00 0.00 C ATOM 336 O MET A 22 5.681 2.107 2.411 1.00 0.00 O ATOM 337 CB MET A 22 7.401 3.654 -0.100 1.00 0.00 C ATOM 338 CG MET A 22 8.491 2.858 0.622 1.00 0.00 C ATOM 339 SD MET A 22 10.031 2.982 -0.272 1.00 0.00 S ATOM 340 CE MET A 22 9.636 1.996 -1.707 1.00 0.00 C ATOM 0 H MET A 22 5.368 4.656 -1.024 1.00 0.00 H new ATOM 0 HA MET A 22 5.894 2.107 -0.081 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.548 3.584 -1.178 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.480 4.708 0.165 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.618 3.237 1.636 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.194 1.813 0.707 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.507 1.938 -2.360 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.351 0.992 -1.392 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.808 2.455 -2.247 1.00 0.00 H new ATOM 350 N LYS A 23 5.879 4.359 2.337 1.00 0.00 N ATOM 351 CA LYS A 23 5.732 4.530 3.773 1.00 0.00 C ATOM 352 C LYS A 23 4.361 4.008 4.206 1.00 0.00 C ATOM 353 O LYS A 23 4.223 3.440 5.289 1.00 0.00 O ATOM 354 CB LYS A 23 5.989 5.986 4.168 1.00 0.00 C ATOM 355 CG LYS A 23 4.680 6.777 4.226 1.00 0.00 C ATOM 356 CD LYS A 23 4.014 6.634 5.596 1.00 0.00 C ATOM 357 CE LYS A 23 3.979 7.976 6.331 1.00 0.00 C ATOM 358 NZ LYS A 23 3.032 8.903 5.672 1.00 0.00 N ATOM 0 H LYS A 23 6.010 5.226 1.815 1.00 0.00 H new ATOM 0 HA LYS A 23 6.480 3.943 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.483 6.021 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.666 6.448 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.877 7.829 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.002 6.423 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.999 6.256 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.557 5.902 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.683 7.821 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.976 8.415 6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.813 9.690 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.461 9.276 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.156 8.395 5.436 1.00 0.00 H new ATOM 372 N LEU A 24 3.382 4.218 3.339 1.00 0.00 N ATOM 373 CA LEU A 24 2.027 3.775 3.618 1.00 0.00 C ATOM 374 C LEU A 24 1.991 2.246 3.652 1.00 0.00 C ATOM 375 O LEU A 24 1.356 1.656 4.525 1.00 0.00 O ATOM 376 CB LEU A 24 1.045 4.391 2.619 1.00 0.00 C ATOM 377 CG LEU A 24 0.923 5.916 2.651 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.448 6.457 1.302 1.00 0.00 C ATOM 379 CD2 LEU A 24 0.020 6.369 3.801 1.00 0.00 C ATOM 0 H LEU A 24 3.500 4.689 2.442 1.00 0.00 H new ATOM 0 HA LEU A 24 1.708 4.124 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.344 4.091 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.059 3.964 2.799 1.00 0.00 H new ATOM 0 HG LEU A 24 1.913 6.334 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.370 7.543 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.163 6.180 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.528 6.034 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.050 7.457 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.974 5.941 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.441 6.032 4.748 1.00 0.00 H new ATOM 391 N ILE A 25 2.680 1.648 2.692 1.00 0.00 N ATOM 392 CA ILE A 25 2.736 0.199 2.601 1.00 0.00 C ATOM 393 C ILE A 25 3.500 -0.354 3.806 1.00 0.00 C ATOM 394 O ILE A 25 3.059 -1.312 4.438 1.00 0.00 O ATOM 395 CB ILE A 25 3.317 -0.232 1.253 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.209 -0.433 0.217 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.192 -1.478 1.406 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.797 -0.738 -1.162 1.00 0.00 C ATOM 0 H ILE A 25 3.205 2.141 1.970 1.00 0.00 H new ATOM 0 HA ILE A 25 1.732 -0.224 2.638 1.00 0.00 H new ATOM 0 HB ILE A 25 3.959 0.569 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.559 -1.251 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.590 0.463 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.592 -1.763 0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.015 -1.263 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.593 -2.296 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.988 -0.877 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.427 0.093 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.395 -1.648 -1.109 1.00 0.00 H new ATOM 410 N LYS A 26 4.633 0.273 4.086 1.00 0.00 N ATOM 411 CA LYS A 26 5.463 -0.145 5.203 1.00 0.00 C ATOM 412 C LYS A 26 4.683 0.037 6.508 1.00 0.00 C ATOM 413 O LYS A 26 4.946 -0.651 7.493 1.00 0.00 O ATOM 414 CB LYS A 26 6.803 0.592 5.180 1.00 0.00 C ATOM 415 CG LYS A 26 7.897 -0.238 5.856 1.00 0.00 C ATOM 416 CD LYS A 26 8.966 0.665 6.475 1.00 0.00 C ATOM 417 CE LYS A 26 10.302 -0.072 6.596 1.00 0.00 C ATOM 418 NZ LYS A 26 11.389 0.723 5.982 1.00 0.00 N ATOM 0 H LYS A 26 4.996 1.067 3.559 1.00 0.00 H new ATOM 0 HA LYS A 26 5.707 -1.204 5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.087 0.805 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.703 1.551 5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.456 -0.868 6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.357 -0.904 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.093 1.557 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.640 0.999 7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.528 -0.258 7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.234 -1.044 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.289 0.209 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.179 0.879 4.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.464 1.640 6.466 1.00 0.00 H new ATOM 432 N GLU A 27 3.740 0.967 6.471 1.00 0.00 N ATOM 433 CA GLU A 27 2.921 1.247 7.638 1.00 0.00 C ATOM 434 C GLU A 27 2.138 -0.001 8.050 1.00 0.00 C ATOM 435 O GLU A 27 2.004 -0.290 9.238 1.00 0.00 O ATOM 436 CB GLU A 27 1.979 2.424 7.376 1.00 0.00 C ATOM 437 CG GLU A 27 1.999 3.413 8.543 1.00 0.00 C ATOM 438 CD GLU A 27 0.702 4.223 8.598 1.00 0.00 C ATOM 439 OE1 GLU A 27 0.143 4.473 7.509 1.00 0.00 O ATOM 440 OE2 GLU A 27 0.300 4.574 9.728 1.00 0.00 O ATOM 0 H GLU A 27 3.525 1.536 5.652 1.00 0.00 H new ATOM 0 HA GLU A 27 3.579 1.526 8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.274 2.933 6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.964 2.056 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.134 2.873 9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.849 4.087 8.438 1.00 0.00 H new ATOM 447 N ILE A 28 1.641 -0.707 7.045 1.00 0.00 N ATOM 448 CA ILE A 28 0.875 -1.918 7.288 1.00 0.00 C ATOM 449 C ILE A 28 1.800 -2.995 7.858 1.00 0.00 C ATOM 450 O ILE A 28 1.422 -3.718 8.780 1.00 0.00 O ATOM 451 CB ILE A 28 0.138 -2.349 6.018 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.174 -1.579 5.858 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.080 -3.863 5.998 1.00 0.00 C ATOM 454 CD1 ILE A 28 -1.010 -0.413 4.881 1.00 0.00 C ATOM 0 H ILE A 28 1.754 -0.464 6.061 1.00 0.00 H new ATOM 0 HA ILE A 28 0.100 -1.736 8.033 1.00 0.00 H new ATOM 0 HB ILE A 28 0.763 -2.102 5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.953 -2.252 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.499 -1.202 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.606 -4.143 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.884 -4.370 6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.674 -4.156 6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.957 0.118 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.247 0.270 5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.708 -0.795 3.906 1.00 0.00 H new ATOM 466 N VAL A 29 2.993 -3.070 7.287 1.00 0.00 N ATOM 467 CA VAL A 29 3.974 -4.047 7.727 1.00 0.00 C ATOM 468 C VAL A 29 4.660 -3.538 8.996 1.00 0.00 C ATOM 469 O VAL A 29 5.393 -4.279 9.650 1.00 0.00 O ATOM 470 CB VAL A 29 4.958 -4.346 6.594 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.445 -5.795 6.661 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.336 -4.039 5.231 1.00 0.00 C ATOM 0 H VAL A 29 3.303 -2.470 6.523 1.00 0.00 H new ATOM 0 HA VAL A 29 3.489 -4.991 7.976 1.00 0.00 H new ATOM 0 HB VAL A 29 5.823 -3.695 6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.143 -5.982 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.946 -5.967 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.593 -6.470 6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.057 -4.260 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.446 -4.652 5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.061 -2.985 5.185 1.00 0.00 H new ATOM 482 N GLU A 30 4.398 -2.277 9.307 1.00 0.00 N ATOM 483 CA GLU A 30 4.981 -1.661 10.487 1.00 0.00 C ATOM 484 C GLU A 30 4.912 -2.621 11.676 1.00 0.00 C ATOM 485 O GLU A 30 5.767 -2.583 12.560 1.00 0.00 O ATOM 486 CB GLU A 30 4.290 -0.335 10.812 1.00 0.00 C ATOM 487 CG GLU A 30 5.183 0.550 11.684 1.00 0.00 C ATOM 488 CD GLU A 30 4.346 1.383 12.657 1.00 0.00 C ATOM 489 OE1 GLU A 30 3.852 2.444 12.216 1.00 0.00 O ATOM 490 OE2 GLU A 30 4.219 0.940 13.819 1.00 0.00 O ATOM 0 H GLU A 30 3.790 -1.665 8.763 1.00 0.00 H new ATOM 0 HA GLU A 30 6.029 -1.445 10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.046 0.188 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.349 -0.528 11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.884 -0.071 12.241 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.776 1.210 11.051 1.00 0.00 H new ATOM 497 N ASN A 31 3.886 -3.459 11.661 1.00 0.00 N ATOM 498 CA ASN A 31 3.694 -4.427 12.727 1.00 0.00 C ATOM 499 C ASN A 31 2.801 -5.563 12.224 1.00 0.00 C ATOM 500 O ASN A 31 1.724 -5.798 12.770 1.00 0.00 O ATOM 501 CB ASN A 31 3.009 -3.787 13.936 1.00 0.00 C ATOM 502 CG ASN A 31 3.465 -2.338 14.121 1.00 0.00 C ATOM 503 OD1 ASN A 31 2.821 -1.397 13.687 1.00 0.00 O ATOM 504 ND2 ASN A 31 4.609 -2.212 14.788 1.00 0.00 N ATOM 0 H ASN A 31 3.178 -3.488 10.927 1.00 0.00 H new ATOM 0 HA ASN A 31 4.674 -4.800 13.024 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.927 -3.818 13.804 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.237 -4.361 14.834 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.998 -1.285 14.964 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.098 -3.042 15.124 1.00 0.00 H new ATOM 511 N GLU A 32 3.282 -6.237 11.190 1.00 0.00 N ATOM 512 CA GLU A 32 2.540 -7.343 10.608 1.00 0.00 C ATOM 513 C GLU A 32 2.323 -8.443 11.648 1.00 0.00 C ATOM 514 O GLU A 32 3.070 -8.539 12.621 1.00 0.00 O ATOM 515 CB GLU A 32 3.255 -7.891 9.371 1.00 0.00 C ATOM 516 CG GLU A 32 4.774 -7.865 9.559 1.00 0.00 C ATOM 517 CD GLU A 32 5.453 -8.916 8.678 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.479 -10.088 9.111 1.00 0.00 O ATOM 519 OE2 GLU A 32 5.931 -8.523 7.592 1.00 0.00 O ATOM 0 H GLU A 32 4.176 -6.039 10.740 1.00 0.00 H new ATOM 0 HA GLU A 32 1.565 -6.974 10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.926 -8.912 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.983 -7.299 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.158 -6.875 9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.018 -8.050 10.605 1.00 0.00 H new ATOM 526 N ASP A 33 1.297 -9.246 11.409 1.00 0.00 N ATOM 527 CA ASP A 33 0.971 -10.335 12.313 1.00 0.00 C ATOM 528 C ASP A 33 1.815 -11.560 11.953 1.00 0.00 C ATOM 529 O ASP A 33 2.349 -11.647 10.849 1.00 0.00 O ATOM 530 CB ASP A 33 -0.503 -10.726 12.198 1.00 0.00 C ATOM 531 CG ASP A 33 -1.186 -11.074 13.522 1.00 0.00 C ATOM 532 OD1 ASP A 33 -0.443 -11.294 14.503 1.00 0.00 O ATOM 533 OD2 ASP A 33 -2.435 -11.113 13.523 1.00 0.00 O ATOM 0 H ASP A 33 0.680 -9.164 10.601 1.00 0.00 H new ATOM 0 HA ASP A 33 1.176 -10.001 13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.046 -9.904 11.732 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.585 -11.582 11.528 1.00 0.00 H new ATOM 538 N LYS A 34 1.907 -12.476 12.906 1.00 0.00 N ATOM 539 CA LYS A 34 2.676 -13.692 12.703 1.00 0.00 C ATOM 540 C LYS A 34 2.008 -14.538 11.617 1.00 0.00 C ATOM 541 O LYS A 34 2.529 -14.657 10.509 1.00 0.00 O ATOM 542 CB LYS A 34 2.867 -14.433 14.028 1.00 0.00 C ATOM 543 CG LYS A 34 3.244 -15.896 13.789 1.00 0.00 C ATOM 544 CD LYS A 34 4.385 -16.327 14.713 1.00 0.00 C ATOM 545 CE LYS A 34 5.436 -17.134 13.948 1.00 0.00 C ATOM 546 NZ LYS A 34 6.679 -17.251 14.742 1.00 0.00 N ATOM 0 H LYS A 34 1.462 -12.400 13.821 1.00 0.00 H new ATOM 0 HA LYS A 34 3.679 -13.453 12.350 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.646 -13.944 14.613 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.949 -14.381 14.613 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.375 -16.531 13.958 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.542 -16.033 12.749 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.850 -15.447 15.157 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.987 -16.926 15.533 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.047 -18.127 13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.651 -16.651 12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.381 -17.802 14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.058 -16.302 14.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.473 -17.732 15.641 1.00 0.00 H new ATOM 560 N ARG A 35 0.864 -15.104 11.972 1.00 0.00 N ATOM 561 CA ARG A 35 0.119 -15.934 11.041 1.00 0.00 C ATOM 562 C ARG A 35 -0.573 -15.065 9.990 1.00 0.00 C ATOM 563 O ARG A 35 -1.128 -15.580 9.020 1.00 0.00 O ATOM 564 CB ARG A 35 -0.932 -16.773 11.771 1.00 0.00 C ATOM 565 CG ARG A 35 -0.759 -18.261 11.460 1.00 0.00 C ATOM 566 CD ARG A 35 -0.891 -19.106 12.729 1.00 0.00 C ATOM 567 NE ARG A 35 0.269 -20.016 12.854 1.00 0.00 N ATOM 568 CZ ARG A 35 0.483 -20.820 13.904 1.00 0.00 C ATOM 569 NH1 ARG A 35 -0.382 -20.831 14.927 1.00 0.00 N ATOM 570 NH2 ARG A 35 1.563 -21.613 13.932 1.00 0.00 N ATOM 0 H ARG A 35 0.435 -15.004 12.892 1.00 0.00 H new ATOM 0 HA ARG A 35 0.828 -16.603 10.554 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.850 -16.611 12.846 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.930 -16.450 11.475 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.507 -18.573 10.732 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.218 -18.430 11.006 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.951 -18.457 13.603 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.815 -19.683 12.697 1.00 0.00 H new ATOM 0 HE ARG A 35 0.948 -20.032 12.093 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.204 -20.227 14.907 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.219 -21.443 15.726 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.222 -21.604 13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.726 -22.225 14.732 1.00 0.00 H new ATOM 584 N LYS A 36 -0.518 -13.761 10.217 1.00 0.00 N ATOM 585 CA LYS A 36 -1.132 -12.814 9.302 1.00 0.00 C ATOM 586 C LYS A 36 -0.135 -11.698 8.984 1.00 0.00 C ATOM 587 O LYS A 36 -0.168 -10.636 9.603 1.00 0.00 O ATOM 588 CB LYS A 36 -2.462 -12.309 9.866 1.00 0.00 C ATOM 589 CG LYS A 36 -3.604 -13.266 9.518 1.00 0.00 C ATOM 590 CD LYS A 36 -4.776 -13.095 10.486 1.00 0.00 C ATOM 591 CE LYS A 36 -5.384 -14.449 10.856 1.00 0.00 C ATOM 592 NZ LYS A 36 -5.685 -14.503 12.304 1.00 0.00 N ATOM 0 H LYS A 36 -0.057 -13.338 11.022 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.377 -13.301 8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.386 -12.206 10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.678 -11.318 9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.940 -13.081 8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.245 -14.295 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.436 -12.586 11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.538 -12.462 10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.296 -14.614 10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.693 -15.249 10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.097 -15.429 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.808 -14.367 12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.362 -13.751 12.546 1.00 0.00 H new ATOM 606 N PRO A 37 0.751 -11.985 7.992 1.00 0.00 N ATOM 607 CA PRO A 37 1.756 -11.017 7.585 1.00 0.00 C ATOM 608 C PRO A 37 1.131 -9.897 6.750 1.00 0.00 C ATOM 609 O PRO A 37 -0.066 -9.634 6.854 1.00 0.00 O ATOM 610 CB PRO A 37 2.790 -11.824 6.817 1.00 0.00 C ATOM 611 CG PRO A 37 2.100 -13.120 6.424 1.00 0.00 C ATOM 612 CD PRO A 37 0.820 -13.232 7.237 1.00 0.00 C ATOM 0 HA PRO A 37 2.216 -10.507 8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.133 -11.282 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.668 -12.020 7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.876 -13.125 5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.751 -13.973 6.617 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.050 -13.353 6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.847 -14.096 7.901 1.00 0.00 H new ATOM 620 N TYR A 38 1.971 -9.268 5.941 1.00 0.00 N ATOM 621 CA TYR A 38 1.516 -8.182 5.089 1.00 0.00 C ATOM 622 C TYR A 38 2.379 -8.075 3.830 1.00 0.00 C ATOM 623 O TYR A 38 2.996 -7.040 3.582 1.00 0.00 O ATOM 624 CB TYR A 38 1.677 -6.903 5.913 1.00 0.00 C ATOM 625 CG TYR A 38 0.561 -6.677 6.935 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.735 -7.043 6.634 1.00 0.00 C ATOM 627 CD2 TYR A 38 0.851 -6.108 8.159 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.785 -6.831 7.596 1.00 0.00 C ATOM 629 CE2 TYR A 38 -0.199 -5.896 9.121 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.465 -6.267 8.792 1.00 0.00 C ATOM 631 OH TYR A 38 -2.457 -6.067 9.701 1.00 0.00 O ATOM 0 H TYR A 38 2.963 -9.489 5.857 1.00 0.00 H new ATOM 0 HA TYR A 38 0.486 -8.348 4.772 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.633 -6.938 6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.714 -6.049 5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.962 -7.489 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.865 -5.822 8.395 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.803 -7.113 7.373 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.014 -5.452 10.082 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.083 -5.658 10.509 1.00 0.00 H new ATOM 641 N SER A 39 2.394 -9.159 3.068 1.00 0.00 N ATOM 642 CA SER A 39 3.171 -9.200 1.841 1.00 0.00 C ATOM 643 C SER A 39 2.470 -8.387 0.750 1.00 0.00 C ATOM 644 O SER A 39 1.322 -7.979 0.917 1.00 0.00 O ATOM 645 CB SER A 39 3.387 -10.640 1.373 1.00 0.00 C ATOM 646 OG SER A 39 3.653 -11.520 2.462 1.00 0.00 O ATOM 0 H SER A 39 1.881 -10.015 3.277 1.00 0.00 H new ATOM 0 HA SER A 39 4.149 -8.761 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.502 -10.984 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.219 -10.672 0.669 1.00 0.00 H new ATOM 0 HG SER A 39 3.783 -12.430 2.123 1.00 0.00 H new ATOM 652 N ASP A 40 3.190 -8.177 -0.342 1.00 0.00 N ATOM 653 CA ASP A 40 2.652 -7.421 -1.460 1.00 0.00 C ATOM 654 C ASP A 40 1.217 -7.878 -1.735 1.00 0.00 C ATOM 655 O ASP A 40 0.374 -7.078 -2.136 1.00 0.00 O ATOM 656 CB ASP A 40 3.473 -7.654 -2.729 1.00 0.00 C ATOM 657 CG ASP A 40 3.447 -9.087 -3.263 1.00 0.00 C ATOM 658 OD1 ASP A 40 3.704 -10.001 -2.449 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.172 -9.237 -4.473 1.00 0.00 O ATOM 0 H ASP A 40 4.142 -8.517 -0.476 1.00 0.00 H new ATOM 0 HA ASP A 40 2.685 -6.363 -1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.107 -6.985 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.508 -7.375 -2.530 1.00 0.00 H new ATOM 664 N GLN A 41 0.986 -9.162 -1.509 1.00 0.00 N ATOM 665 CA GLN A 41 -0.332 -9.735 -1.727 1.00 0.00 C ATOM 666 C GLN A 41 -1.342 -9.129 -0.751 1.00 0.00 C ATOM 667 O GLN A 41 -2.377 -8.610 -1.166 1.00 0.00 O ATOM 668 CB GLN A 41 -0.295 -11.259 -1.602 1.00 0.00 C ATOM 669 CG GLN A 41 -1.509 -11.775 -0.827 1.00 0.00 C ATOM 670 CD GLN A 41 -2.810 -11.440 -1.560 1.00 0.00 C ATOM 671 OE1 GLN A 41 -2.815 -10.917 -2.662 1.00 0.00 O ATOM 672 NE2 GLN A 41 -3.910 -11.768 -0.888 1.00 0.00 N ATOM 0 H GLN A 41 1.689 -9.823 -1.177 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.648 -9.495 -2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.275 -11.709 -2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.621 -11.564 -1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.429 -12.854 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.524 -11.332 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.835 -12.204 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.828 -11.584 -1.292 1.00 0.00 H new ATOM 681 N GLU A 42 -1.007 -9.215 0.528 1.00 0.00 N ATOM 682 CA GLU A 42 -1.872 -8.682 1.566 1.00 0.00 C ATOM 683 C GLU A 42 -2.054 -7.174 1.383 1.00 0.00 C ATOM 684 O GLU A 42 -3.154 -6.709 1.088 1.00 0.00 O ATOM 685 CB GLU A 42 -1.321 -9.003 2.957 1.00 0.00 C ATOM 686 CG GLU A 42 -2.428 -9.518 3.880 1.00 0.00 C ATOM 687 CD GLU A 42 -2.968 -8.396 4.768 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.966 -7.242 4.289 1.00 0.00 O ATOM 689 OE2 GLU A 42 -3.371 -8.718 5.907 1.00 0.00 O ATOM 0 H GLU A 42 -0.148 -9.646 0.869 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.848 -9.159 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.533 -9.751 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.869 -8.110 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.239 -9.936 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.041 -10.325 4.502 1.00 0.00 H new ATOM 696 N ILE A 43 -0.958 -6.451 1.565 1.00 0.00 N ATOM 697 CA ILE A 43 -0.983 -5.005 1.423 1.00 0.00 C ATOM 698 C ILE A 43 -1.810 -4.632 0.192 1.00 0.00 C ATOM 699 O ILE A 43 -2.675 -3.760 0.262 1.00 0.00 O ATOM 700 CB ILE A 43 0.441 -4.445 1.400 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.818 -3.850 2.759 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.614 -3.435 0.264 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.288 -4.121 3.087 1.00 0.00 C ATOM 0 H ILE A 43 -0.047 -6.840 1.810 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.468 -4.546 2.284 1.00 0.00 H new ATOM 0 HB ILE A 43 1.129 -5.268 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.635 -2.775 2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.184 -4.277 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.635 -3.052 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.415 -3.923 -0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.084 -2.609 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.530 -3.688 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.462 -5.197 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.920 -3.672 2.321 1.00 0.00 H new ATOM 715 N ALA A 44 -1.517 -5.311 -0.907 1.00 0.00 N ATOM 716 CA ALA A 44 -2.223 -5.062 -2.152 1.00 0.00 C ATOM 717 C ALA A 44 -3.724 -5.257 -1.930 1.00 0.00 C ATOM 718 O ALA A 44 -4.535 -4.467 -2.412 1.00 0.00 O ATOM 719 CB ALA A 44 -1.672 -5.979 -3.245 1.00 0.00 C ATOM 0 H ALA A 44 -0.800 -6.034 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.069 -4.034 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.202 -5.792 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.609 -5.781 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.811 -7.019 -2.951 1.00 0.00 H new ATOM 725 N ASN A 45 -4.050 -6.313 -1.199 1.00 0.00 N ATOM 726 CA ASN A 45 -5.439 -6.622 -0.906 1.00 0.00 C ATOM 727 C ASN A 45 -6.025 -5.522 -0.019 1.00 0.00 C ATOM 728 O ASN A 45 -7.183 -5.139 -0.182 1.00 0.00 O ATOM 729 CB ASN A 45 -5.562 -7.950 -0.157 1.00 0.00 C ATOM 730 CG ASN A 45 -5.704 -9.119 -1.134 1.00 0.00 C ATOM 731 OD1 ASN A 45 -6.751 -9.734 -1.259 1.00 0.00 O ATOM 732 ND2 ASN A 45 -4.596 -9.391 -1.817 1.00 0.00 N ATOM 0 H ASN A 45 -3.375 -6.966 -0.801 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.976 -6.691 -1.852 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.684 -8.100 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.426 -7.919 0.507 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.589 -10.154 -2.494 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.754 -8.837 -1.664 1.00 0.00 H new ATOM 739 N ILE A 46 -5.200 -5.046 0.901 1.00 0.00 N ATOM 740 CA ILE A 46 -5.622 -3.998 1.815 1.00 0.00 C ATOM 741 C ILE A 46 -5.985 -2.745 1.015 1.00 0.00 C ATOM 742 O ILE A 46 -7.063 -2.180 1.195 1.00 0.00 O ATOM 743 CB ILE A 46 -4.555 -3.757 2.884 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.564 -4.873 3.930 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.717 -2.375 3.520 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.448 -4.672 4.957 1.00 0.00 C ATOM 0 H ILE A 46 -4.241 -5.367 1.034 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.518 -4.303 2.355 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.578 -3.776 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.529 -4.894 4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.441 -5.838 3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.946 -2.230 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.621 -1.608 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.700 -2.302 3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.477 -5.479 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.483 -4.676 4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.588 -3.717 5.464 1.00 0.00 H new ATOM 758 N LEU A 47 -5.065 -2.348 0.149 1.00 0.00 N ATOM 759 CA LEU A 47 -5.274 -1.172 -0.679 1.00 0.00 C ATOM 760 C LEU A 47 -6.554 -1.352 -1.498 1.00 0.00 C ATOM 761 O LEU A 47 -7.232 -0.377 -1.818 1.00 0.00 O ATOM 762 CB LEU A 47 -4.035 -0.889 -1.530 1.00 0.00 C ATOM 763 CG LEU A 47 -2.772 -0.489 -0.764 1.00 0.00 C ATOM 764 CD1 LEU A 47 -2.983 -0.617 0.746 1.00 0.00 C ATOM 765 CD2 LEU A 47 -1.562 -1.294 -1.243 1.00 0.00 C ATOM 0 H LEU A 47 -4.173 -2.820 0.002 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.414 -0.288 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.812 -1.779 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.276 -0.093 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.564 0.560 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.070 -0.327 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.800 0.034 1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.229 -1.650 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.678 -0.990 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.746 -2.357 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.399 -1.110 -2.305 1.00 0.00 H new ATOM 777 N LYS A 48 -6.846 -2.606 -1.813 1.00 0.00 N ATOM 778 CA LYS A 48 -8.032 -2.926 -2.588 1.00 0.00 C ATOM 779 C LYS A 48 -9.267 -2.373 -1.874 1.00 0.00 C ATOM 780 O LYS A 48 -10.324 -2.217 -2.484 1.00 0.00 O ATOM 781 CB LYS A 48 -8.103 -4.429 -2.864 1.00 0.00 C ATOM 782 CG LYS A 48 -8.795 -4.710 -4.199 1.00 0.00 C ATOM 783 CD LYS A 48 -8.676 -6.187 -4.579 1.00 0.00 C ATOM 784 CE LYS A 48 -9.863 -6.631 -5.434 1.00 0.00 C ATOM 785 NZ LYS A 48 -9.927 -8.108 -5.507 1.00 0.00 N ATOM 0 H LYS A 48 -6.281 -3.412 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.988 -2.448 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.097 -4.848 -2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.644 -4.925 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.847 -4.432 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.350 -4.093 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.748 -6.352 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.626 -6.795 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.789 -6.242 -5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.771 -6.215 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.739 -8.392 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.050 -8.473 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.037 -8.498 -4.549 1.00 0.00 H new ATOM 799 N GLU A 49 -9.093 -2.091 -0.591 1.00 0.00 N ATOM 800 CA GLU A 49 -10.180 -1.559 0.213 1.00 0.00 C ATOM 801 C GLU A 49 -10.591 -0.176 -0.299 1.00 0.00 C ATOM 802 O GLU A 49 -11.397 0.507 0.330 1.00 0.00 O ATOM 803 CB GLU A 49 -9.793 -1.504 1.692 1.00 0.00 C ATOM 804 CG GLU A 49 -8.883 -0.307 1.976 1.00 0.00 C ATOM 805 CD GLU A 49 -9.611 0.750 2.808 1.00 0.00 C ATOM 806 OE1 GLU A 49 -10.859 0.695 2.828 1.00 0.00 O ATOM 807 OE2 GLU A 49 -8.903 1.590 3.405 1.00 0.00 O ATOM 0 H GLU A 49 -8.215 -2.221 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.035 -2.228 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.692 -1.435 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.285 -2.426 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.991 -0.641 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.549 0.132 1.036 1.00 0.00 H new ATOM 885 N VAL A 54 -3.554 0.552 -5.237 1.00 0.00 N ATOM 886 CA VAL A 54 -2.321 -0.026 -5.742 1.00 0.00 C ATOM 887 C VAL A 54 -2.649 -1.256 -6.591 1.00 0.00 C ATOM 888 O VAL A 54 -3.689 -1.302 -7.247 1.00 0.00 O ATOM 889 CB VAL A 54 -1.374 -0.336 -4.581 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.087 -0.270 -5.033 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.626 0.605 -3.401 1.00 0.00 C ATOM 0 HA VAL A 54 -1.802 0.684 -6.386 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.576 -1.354 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.739 -0.494 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.256 -0.999 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.308 0.730 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.940 0.363 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.465 1.636 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.653 0.488 -3.055 1.00 0.00 H new ATOM 901 N ALA A 55 -1.743 -2.222 -6.551 1.00 0.00 N ATOM 902 CA ALA A 55 -1.924 -3.449 -7.308 1.00 0.00 C ATOM 903 C ALA A 55 -0.745 -4.387 -7.040 1.00 0.00 C ATOM 904 O ALA A 55 0.407 -3.956 -7.033 1.00 0.00 O ATOM 905 CB ALA A 55 -2.076 -3.114 -8.793 1.00 0.00 C ATOM 0 H ALA A 55 -0.882 -2.180 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.832 -3.963 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.212 -4.034 -9.361 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.943 -2.469 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.181 -2.600 -9.143 1.00 0.00 H new ATOM 911 N ARG A 56 -1.074 -5.652 -6.825 1.00 0.00 N ATOM 912 CA ARG A 56 -0.057 -6.655 -6.557 1.00 0.00 C ATOM 913 C ARG A 56 1.229 -6.322 -7.315 1.00 0.00 C ATOM 914 O ARG A 56 2.327 -6.484 -6.784 1.00 0.00 O ATOM 915 CB ARG A 56 -0.537 -8.049 -6.967 1.00 0.00 C ATOM 916 CG ARG A 56 -0.822 -8.913 -5.737 1.00 0.00 C ATOM 917 CD ARG A 56 -0.486 -10.381 -6.009 1.00 0.00 C ATOM 918 NE ARG A 56 -1.518 -10.984 -6.882 1.00 0.00 N ATOM 919 CZ ARG A 56 -1.623 -12.297 -7.125 1.00 0.00 C ATOM 920 NH1 ARG A 56 -0.759 -13.154 -6.563 1.00 0.00 N ATOM 921 NH2 ARG A 56 -2.591 -12.755 -7.930 1.00 0.00 N ATOM 0 H ARG A 56 -2.031 -6.006 -6.831 1.00 0.00 H new ATOM 0 HA ARG A 56 0.138 -6.652 -5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.439 -7.964 -7.573 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.219 -8.530 -7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.236 -8.553 -4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.872 -8.822 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.492 -10.457 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.428 -10.929 -5.069 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.192 -10.360 -7.327 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.021 -12.806 -5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.839 -14.154 -6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.249 -12.104 -8.358 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.670 -13.755 -8.115 1.00 0.00 H new ATOM 935 N ARG A 57 1.051 -5.862 -8.545 1.00 0.00 N ATOM 936 CA ARG A 57 2.184 -5.505 -9.382 1.00 0.00 C ATOM 937 C ARG A 57 3.004 -4.396 -8.720 1.00 0.00 C ATOM 938 O ARG A 57 4.185 -4.581 -8.429 1.00 0.00 O ATOM 939 CB ARG A 57 1.723 -5.035 -10.762 1.00 0.00 C ATOM 940 CG ARG A 57 2.345 -5.889 -11.869 1.00 0.00 C ATOM 941 CD ARG A 57 3.664 -5.284 -12.353 1.00 0.00 C ATOM 942 NE ARG A 57 4.263 -6.145 -13.397 1.00 0.00 N ATOM 943 CZ ARG A 57 3.871 -6.155 -14.678 1.00 0.00 C ATOM 944 NH1 ARG A 57 2.879 -5.350 -15.082 1.00 0.00 N ATOM 945 NH2 ARG A 57 4.472 -6.969 -15.556 1.00 0.00 N ATOM 0 H ARG A 57 0.139 -5.728 -8.982 1.00 0.00 H new ATOM 0 HA ARG A 57 2.801 -6.395 -9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.636 -5.089 -10.824 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.999 -3.990 -10.905 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.518 -6.900 -11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.650 -5.970 -12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.491 -4.284 -12.750 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.354 -5.179 -11.516 1.00 0.00 H new ATOM 0 HE ARG A 57 5.022 -6.770 -13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.422 -4.729 -14.414 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.581 -5.358 -16.057 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.228 -7.581 -15.249 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.174 -6.977 -16.531 1.00 0.00 H new ATOM 959 N THR A 58 2.346 -3.268 -8.501 1.00 0.00 N ATOM 960 CA THR A 58 2.999 -2.129 -7.878 1.00 0.00 C ATOM 961 C THR A 58 3.502 -2.500 -6.482 1.00 0.00 C ATOM 962 O THR A 58 4.606 -2.120 -6.095 1.00 0.00 O ATOM 963 CB THR A 58 2.011 -0.960 -7.877 1.00 0.00 C ATOM 964 OG1 THR A 58 2.338 -0.229 -9.056 1.00 0.00 O ATOM 965 CG2 THR A 58 2.276 0.029 -6.740 1.00 0.00 C ATOM 0 H THR A 58 1.367 -3.118 -8.744 1.00 0.00 H new ATOM 0 HA THR A 58 3.884 -1.826 -8.438 1.00 0.00 H new ATOM 0 HB THR A 58 0.994 -1.344 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.744 0.546 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.548 0.839 -6.785 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.189 -0.485 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.281 0.439 -6.841 1.00 0.00 H new ATOM 973 N VAL A 59 2.668 -3.238 -5.764 1.00 0.00 N ATOM 974 CA VAL A 59 3.015 -3.665 -4.419 1.00 0.00 C ATOM 975 C VAL A 59 4.243 -4.575 -4.478 1.00 0.00 C ATOM 976 O VAL A 59 5.135 -4.475 -3.637 1.00 0.00 O ATOM 977 CB VAL A 59 1.809 -4.331 -3.754 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.965 -4.354 -2.233 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.507 -3.639 -4.161 1.00 0.00 C ATOM 0 H VAL A 59 1.753 -3.551 -6.088 1.00 0.00 H new ATOM 0 HA VAL A 59 3.277 -2.806 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 59 1.763 -5.363 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.094 -4.833 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.863 -4.913 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.050 -3.333 -1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.335 -4.132 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.540 -2.593 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.386 -3.698 -5.243 1.00 0.00 H new ATOM 989 N ALA A 60 4.250 -5.442 -5.480 1.00 0.00 N ATOM 990 CA ALA A 60 5.354 -6.369 -5.660 1.00 0.00 C ATOM 991 C ALA A 60 6.663 -5.583 -5.763 1.00 0.00 C ATOM 992 O ALA A 60 7.675 -5.978 -5.185 1.00 0.00 O ATOM 993 CB ALA A 60 5.097 -7.237 -6.894 1.00 0.00 C ATOM 0 H ALA A 60 3.508 -5.522 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 60 5.437 -7.037 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.926 -7.932 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.172 -7.797 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.010 -6.601 -7.775 1.00 0.00 H new ATOM 999 N LYS A 61 6.600 -4.486 -6.502 1.00 0.00 N ATOM 1000 CA LYS A 61 7.768 -3.641 -6.688 1.00 0.00 C ATOM 1001 C LYS A 61 8.186 -3.052 -5.339 1.00 0.00 C ATOM 1002 O LYS A 61 9.372 -3.012 -5.016 1.00 0.00 O ATOM 1003 CB LYS A 61 7.500 -2.586 -7.763 1.00 0.00 C ATOM 1004 CG LYS A 61 8.767 -2.289 -8.568 1.00 0.00 C ATOM 1005 CD LYS A 61 8.639 -0.966 -9.325 1.00 0.00 C ATOM 1006 CE LYS A 61 9.999 -0.280 -9.464 1.00 0.00 C ATOM 1007 NZ LYS A 61 9.901 0.886 -10.371 1.00 0.00 N ATOM 0 H LYS A 61 5.759 -4.162 -6.979 1.00 0.00 H new ATOM 0 HA LYS A 61 8.610 -4.229 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.713 -2.935 -8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.138 -1.670 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.626 -2.247 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.952 -3.099 -9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.217 -1.148 -10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.948 -0.307 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.352 0.042 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.732 -0.988 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.833 1.340 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.585 0.570 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.216 1.568 -9.987 1.00 0.00 H new ATOM 1021 N TYR A 62 7.189 -2.611 -4.587 1.00 0.00 N ATOM 1022 CA TYR A 62 7.438 -2.026 -3.281 1.00 0.00 C ATOM 1023 C TYR A 62 8.024 -3.062 -2.319 1.00 0.00 C ATOM 1024 O TYR A 62 8.928 -2.754 -1.544 1.00 0.00 O ATOM 1025 CB TYR A 62 6.075 -1.573 -2.754 1.00 0.00 C ATOM 1026 CG TYR A 62 5.667 -0.170 -3.209 1.00 0.00 C ATOM 1027 CD1 TYR A 62 6.486 0.908 -2.938 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.482 0.018 -3.889 1.00 0.00 C ATOM 1029 CE1 TYR A 62 6.103 2.229 -3.366 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.098 1.339 -4.317 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.928 2.379 -4.034 1.00 0.00 C ATOM 1032 OH TYR A 62 4.566 3.626 -4.438 1.00 0.00 O ATOM 0 H TYR A 62 6.206 -2.647 -4.857 1.00 0.00 H new ATOM 0 HA TYR A 62 8.150 -1.205 -3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.316 -2.284 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.091 -1.600 -1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.414 0.761 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.842 -0.825 -4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.735 3.081 -3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.173 1.500 -4.850 1.00 0.00 H new ATOM 0 HH TYR A 62 4.889 4.286 -3.790 1.00 0.00 H new ATOM 1042 N ARG A 63 7.485 -4.270 -2.401 1.00 0.00 N ATOM 1043 CA ARG A 63 7.942 -5.353 -1.548 1.00 0.00 C ATOM 1044 C ARG A 63 9.465 -5.482 -1.625 1.00 0.00 C ATOM 1045 O ARG A 63 10.127 -5.682 -0.608 1.00 0.00 O ATOM 1046 CB ARG A 63 7.303 -6.682 -1.955 1.00 0.00 C ATOM 1047 CG ARG A 63 7.075 -7.577 -0.736 1.00 0.00 C ATOM 1048 CD ARG A 63 8.262 -8.517 -0.515 1.00 0.00 C ATOM 1049 NE ARG A 63 7.815 -9.740 0.190 1.00 0.00 N ATOM 1050 CZ ARG A 63 6.942 -10.622 -0.316 1.00 0.00 C ATOM 1051 NH1 ARG A 63 6.417 -10.422 -1.532 1.00 0.00 N ATOM 1052 NH2 ARG A 63 6.594 -11.703 0.395 1.00 0.00 N ATOM 0 H ARG A 63 6.736 -4.522 -3.046 1.00 0.00 H new ATOM 0 HA ARG A 63 7.645 -5.118 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.353 -6.495 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.945 -7.194 -2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.926 -6.960 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.165 -8.161 -0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.709 -8.782 -1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.033 -8.012 0.068 1.00 0.00 H new ATOM 0 HE ARG A 63 8.195 -9.923 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.682 -9.599 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.753 -11.093 -1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.993 -11.855 1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.930 -12.374 0.010 1.00 0.00 H new ATOM 1066 N GLU A 64 9.976 -5.363 -2.842 1.00 0.00 N ATOM 1067 CA GLU A 64 11.409 -5.463 -3.065 1.00 0.00 C ATOM 1068 C GLU A 64 12.122 -4.236 -2.494 1.00 0.00 C ATOM 1069 O GLU A 64 13.209 -4.352 -1.930 1.00 0.00 O ATOM 1070 CB GLU A 64 11.721 -5.637 -4.552 1.00 0.00 C ATOM 1071 CG GLU A 64 13.123 -6.214 -4.755 1.00 0.00 C ATOM 1072 CD GLU A 64 13.425 -7.298 -3.717 1.00 0.00 C ATOM 1073 OE1 GLU A 64 12.818 -8.383 -3.838 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.257 -7.016 -2.828 1.00 0.00 O ATOM 0 H GLU A 64 9.424 -5.198 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 64 11.778 -6.347 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.983 -6.297 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.643 -4.675 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.206 -6.632 -5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.863 -5.417 -4.680 1.00 0.00 H new ATOM 1081 N MET A 65 11.482 -3.088 -2.661 1.00 0.00 N ATOM 1082 CA MET A 65 12.042 -1.841 -2.169 1.00 0.00 C ATOM 1083 C MET A 65 12.071 -1.818 -0.640 1.00 0.00 C ATOM 1084 O MET A 65 12.972 -1.232 -0.041 1.00 0.00 O ATOM 1085 CB MET A 65 11.204 -0.668 -2.682 1.00 0.00 C ATOM 1086 CG MET A 65 11.305 -0.546 -4.204 1.00 0.00 C ATOM 1087 SD MET A 65 10.503 0.951 -4.751 1.00 0.00 S ATOM 1088 CE MET A 65 9.206 0.257 -5.762 1.00 0.00 C ATOM 0 H MET A 65 10.581 -2.995 -3.130 1.00 0.00 H new ATOM 0 HA MET A 65 13.066 -1.755 -2.534 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.162 -0.807 -2.393 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.543 0.257 -2.216 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.352 -0.539 -4.508 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.841 -1.411 -4.678 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.985 0.935 -6.586 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.530 -0.704 -6.161 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.310 0.115 -5.158 1.00 0.00 H new ATOM 1098 N LEU A 66 11.074 -2.462 -0.051 1.00 0.00 N ATOM 1099 CA LEU A 66 10.973 -2.522 1.397 1.00 0.00 C ATOM 1100 C LEU A 66 11.940 -3.583 1.927 1.00 0.00 C ATOM 1101 O LEU A 66 12.906 -3.259 2.617 1.00 0.00 O ATOM 1102 CB LEU A 66 9.521 -2.746 1.825 1.00 0.00 C ATOM 1103 CG LEU A 66 8.687 -1.483 2.050 1.00 0.00 C ATOM 1104 CD1 LEU A 66 8.742 -0.564 0.829 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.250 -1.838 2.437 1.00 0.00 C ATOM 0 H LEU A 66 10.329 -2.947 -0.551 1.00 0.00 H new ATOM 0 HA LEU A 66 11.268 -1.570 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.028 -3.353 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.520 -3.327 2.747 1.00 0.00 H new ATOM 0 HG LEU A 66 9.119 -0.932 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.141 0.326 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.775 -0.271 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.350 -1.091 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.678 -0.923 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.792 -2.422 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.255 -2.422 3.357 1.00 0.00 H new