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 22 MET CE :methyl -126:sc= -3.23 (180deg=-6.31!) USER MOD Set 1.2: A 65 MET CE :methyl -170:sc= -1.97! (180deg=-2.45!) USER MOD Set 2.1: A 41 GLN : amide:sc= -7.01! C(o=-9.7!,f=-9.6!) USER MOD Set 2.2: A 45 ASN : amide:sc= -2.65! C(o=-9.7!,f=-9.5!) USER MOD Single : A 17 THR OG1 : rot -45:sc= 0.627 USER MOD Single : A 18 GLN : amide:sc= -0.315 K(o=-0.31,f=-2.4!) 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= -0.374 X(o=-0.37,f=-0.3) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0875) 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= 0.051 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 -127:sc= -0.0113 USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 1.496 10.541 -3.163 1.00 0.00 N ATOM 262 CA THR A 17 2.692 10.456 -3.984 1.00 0.00 C ATOM 263 C THR A 17 3.267 9.039 -3.943 1.00 0.00 C ATOM 264 O THR A 17 3.013 8.289 -3.001 1.00 0.00 O ATOM 265 CB THR A 17 3.674 11.525 -3.501 1.00 0.00 C ATOM 266 OG1 THR A 17 3.594 11.453 -2.080 1.00 0.00 O ATOM 267 CG2 THR A 17 3.205 12.943 -3.829 1.00 0.00 C ATOM 0 HA THR A 17 2.467 10.651 -5.032 1.00 0.00 H new ATOM 0 HB THR A 17 4.650 11.352 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.654 11.405 -1.807 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.938 13.662 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.097 13.050 -4.908 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.244 13.129 -3.348 1.00 0.00 H new ATOM 275 N GLN A 18 4.031 8.714 -4.975 1.00 0.00 N ATOM 276 CA GLN A 18 4.645 7.400 -5.069 1.00 0.00 C ATOM 277 C GLN A 18 5.416 7.082 -3.786 1.00 0.00 C ATOM 278 O GLN A 18 5.474 5.929 -3.362 1.00 0.00 O ATOM 279 CB GLN A 18 5.556 7.306 -6.294 1.00 0.00 C ATOM 280 CG GLN A 18 4.816 6.684 -7.480 1.00 0.00 C ATOM 281 CD GLN A 18 5.065 7.482 -8.762 1.00 0.00 C ATOM 282 OE1 GLN A 18 5.442 8.642 -8.738 1.00 0.00 O ATOM 283 NE2 GLN A 18 4.833 6.799 -9.879 1.00 0.00 N ATOM 0 H GLN A 18 4.239 9.338 -5.754 1.00 0.00 H new ATOM 0 HA GLN A 18 3.855 6.659 -5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.913 8.300 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.434 6.707 -6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.145 5.654 -7.619 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.747 6.651 -7.270 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.519 5.830 -9.828 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.969 7.244 -10.787 1.00 0.00 H new ATOM 292 N GLY A 19 5.990 8.126 -3.205 1.00 0.00 N ATOM 293 CA GLY A 19 6.756 7.972 -1.980 1.00 0.00 C ATOM 294 C GLY A 19 5.834 7.723 -0.784 1.00 0.00 C ATOM 295 O GLY A 19 6.148 6.917 0.090 1.00 0.00 O ATOM 0 H GLY A 19 5.940 9.081 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.454 7.141 -2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.352 8.868 -1.804 1.00 0.00 H new ATOM 299 N GLU A 20 4.714 8.432 -0.784 1.00 0.00 N ATOM 300 CA GLU A 20 3.744 8.298 0.289 1.00 0.00 C ATOM 301 C GLU A 20 3.196 6.871 0.335 1.00 0.00 C ATOM 302 O GLU A 20 2.965 6.325 1.413 1.00 0.00 O ATOM 303 CB GLU A 20 2.612 9.316 0.135 1.00 0.00 C ATOM 304 CG GLU A 20 2.992 10.658 0.763 1.00 0.00 C ATOM 305 CD GLU A 20 2.826 10.619 2.283 1.00 0.00 C ATOM 306 OE1 GLU A 20 3.284 9.619 2.878 1.00 0.00 O ATOM 307 OE2 GLU A 20 2.245 11.589 2.816 1.00 0.00 O ATOM 0 H GLU A 20 4.457 9.101 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 20 4.247 8.503 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.386 9.456 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.707 8.933 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.025 10.901 0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.368 11.448 0.346 1.00 0.00 H new ATOM 314 N LEU A 21 3.004 6.306 -0.848 1.00 0.00 N ATOM 315 CA LEU A 21 2.487 4.953 -0.957 1.00 0.00 C ATOM 316 C LEU A 21 3.481 3.979 -0.321 1.00 0.00 C ATOM 317 O LEU A 21 3.082 3.029 0.350 1.00 0.00 O ATOM 318 CB LEU A 21 2.149 4.623 -2.412 1.00 0.00 C ATOM 319 CG LEU A 21 1.054 3.577 -2.626 1.00 0.00 C ATOM 320 CD1 LEU A 21 1.048 2.550 -1.492 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.312 4.242 -2.805 1.00 0.00 C ATOM 0 H LEU A 21 3.198 6.761 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 21 1.550 4.858 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.847 5.543 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.057 4.276 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 21 1.272 3.037 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.260 1.818 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.012 2.044 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.867 3.056 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.073 3.476 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.553 4.823 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.285 4.902 -3.672 1.00 0.00 H new ATOM 333 N MET A 22 4.757 4.250 -0.554 1.00 0.00 N ATOM 334 CA MET A 22 5.812 3.410 -0.012 1.00 0.00 C ATOM 335 C MET A 22 5.715 3.324 1.513 1.00 0.00 C ATOM 336 O MET A 22 5.527 2.241 2.066 1.00 0.00 O ATOM 337 CB MET A 22 7.174 3.984 -0.405 1.00 0.00 C ATOM 338 CG MET A 22 7.385 3.907 -1.919 1.00 0.00 C ATOM 339 SD MET A 22 9.089 3.513 -2.279 1.00 0.00 S ATOM 340 CE MET A 22 9.190 1.885 -1.554 1.00 0.00 C ATOM 0 H MET A 22 5.084 5.039 -1.111 1.00 0.00 H new ATOM 0 HA MET A 22 5.699 2.406 -0.422 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.244 5.021 -0.077 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.965 3.434 0.105 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.730 3.149 -2.348 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.118 4.858 -2.381 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.021 1.852 -0.849 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.260 1.661 -1.031 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.351 1.146 -2.339 1.00 0.00 H new ATOM 350 N LYS A 23 5.847 4.478 2.148 1.00 0.00 N ATOM 351 CA LYS A 23 5.777 4.547 3.598 1.00 0.00 C ATOM 352 C LYS A 23 4.410 4.040 4.063 1.00 0.00 C ATOM 353 O LYS A 23 4.279 3.525 5.172 1.00 0.00 O ATOM 354 CB LYS A 23 6.106 5.960 4.084 1.00 0.00 C ATOM 355 CG LYS A 23 7.597 6.262 3.919 1.00 0.00 C ATOM 356 CD LYS A 23 8.153 6.969 5.157 1.00 0.00 C ATOM 357 CE LYS A 23 9.672 7.128 5.062 1.00 0.00 C ATOM 358 NZ LYS A 23 10.086 8.458 5.561 1.00 0.00 N ATOM 0 H LYS A 23 6.002 5.374 1.685 1.00 0.00 H new ATOM 0 HA LYS A 23 6.528 3.897 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.519 6.687 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.824 6.063 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.143 5.334 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.750 6.887 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.687 7.949 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.899 6.399 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.162 6.346 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.992 7.005 4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.120 8.549 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.633 9.200 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.797 8.561 6.555 1.00 0.00 H new ATOM 372 N LEU A 24 3.426 4.204 3.191 1.00 0.00 N ATOM 373 CA LEU A 24 2.074 3.770 3.498 1.00 0.00 C ATOM 374 C LEU A 24 2.044 2.244 3.602 1.00 0.00 C ATOM 375 O LEU A 24 1.429 1.692 4.513 1.00 0.00 O ATOM 376 CB LEU A 24 1.084 4.335 2.477 1.00 0.00 C ATOM 377 CG LEU A 24 0.350 5.612 2.890 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.104 6.519 1.683 1.00 0.00 C ATOM 379 CD2 LEU A 24 -0.946 5.283 3.634 1.00 0.00 C ATOM 0 H LEU A 24 3.538 4.632 2.272 1.00 0.00 H new ATOM 0 HA LEU A 24 1.759 4.163 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.622 4.533 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.342 3.568 2.257 1.00 0.00 H new ATOM 0 HG LEU A 24 0.987 6.163 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.419 7.419 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.058 6.795 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.503 5.990 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.448 6.208 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.599 4.699 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.715 4.707 4.530 1.00 0.00 H new ATOM 391 N ILE A 25 2.717 1.605 2.656 1.00 0.00 N ATOM 392 CA ILE A 25 2.776 0.153 2.631 1.00 0.00 C ATOM 393 C ILE A 25 3.573 -0.342 3.839 1.00 0.00 C ATOM 394 O ILE A 25 3.153 -1.274 4.524 1.00 0.00 O ATOM 395 CB ILE A 25 3.325 -0.337 1.289 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.192 -0.595 0.294 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.213 -1.569 1.477 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.735 -0.749 -1.128 1.00 0.00 C ATOM 0 H ILE A 25 3.226 2.066 1.902 1.00 0.00 H new ATOM 0 HA ILE A 25 1.775 -0.271 2.714 1.00 0.00 H new ATOM 0 HB ILE A 25 3.950 0.450 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.651 -1.497 0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.479 0.229 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.590 -1.897 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.051 -1.318 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.631 -2.371 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.909 -0.932 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.255 0.164 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.429 -1.589 -1.164 1.00 0.00 H new ATOM 410 N LYS A 26 4.708 0.302 4.064 1.00 0.00 N ATOM 411 CA LYS A 26 5.567 -0.061 5.178 1.00 0.00 C ATOM 412 C LYS A 26 4.837 0.219 6.492 1.00 0.00 C ATOM 413 O LYS A 26 5.014 -0.505 7.471 1.00 0.00 O ATOM 414 CB LYS A 26 6.920 0.645 5.063 1.00 0.00 C ATOM 415 CG LYS A 26 7.003 1.830 6.028 1.00 0.00 C ATOM 416 CD LYS A 26 8.244 2.679 5.747 1.00 0.00 C ATOM 417 CE LYS A 26 9.330 2.427 6.794 1.00 0.00 C ATOM 418 NZ LYS A 26 9.175 3.357 7.936 1.00 0.00 N ATOM 0 H LYS A 26 5.053 1.074 3.493 1.00 0.00 H new ATOM 0 HA LYS A 26 5.787 -1.128 5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.722 -0.061 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.067 0.993 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.108 2.445 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.032 1.466 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.630 2.447 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.974 3.735 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.272 1.397 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.314 2.555 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.920 3.172 8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.253 4.338 7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.243 3.215 8.375 1.00 0.00 H new ATOM 432 N GLU A 27 4.031 1.270 6.472 1.00 0.00 N ATOM 433 CA GLU A 27 3.272 1.655 7.650 1.00 0.00 C ATOM 434 C GLU A 27 2.343 0.517 8.078 1.00 0.00 C ATOM 435 O GLU A 27 2.143 0.289 9.270 1.00 0.00 O ATOM 436 CB GLU A 27 2.484 2.942 7.399 1.00 0.00 C ATOM 437 CG GLU A 27 3.164 4.140 8.064 1.00 0.00 C ATOM 438 CD GLU A 27 2.431 4.546 9.344 1.00 0.00 C ATOM 439 OE1 GLU A 27 2.067 3.624 10.106 1.00 0.00 O ATOM 440 OE2 GLU A 27 2.252 5.768 9.532 1.00 0.00 O ATOM 0 H GLU A 27 3.887 1.868 5.658 1.00 0.00 H new ATOM 0 HA GLU A 27 3.973 1.850 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.399 3.117 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.471 2.834 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.199 3.892 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.186 4.981 7.371 1.00 0.00 H new ATOM 447 N ILE A 28 1.800 -0.167 7.082 1.00 0.00 N ATOM 448 CA ILE A 28 0.897 -1.275 7.340 1.00 0.00 C ATOM 449 C ILE A 28 1.674 -2.419 7.994 1.00 0.00 C ATOM 450 O ILE A 28 1.124 -3.166 8.802 1.00 0.00 O ATOM 451 CB ILE A 28 0.167 -1.682 6.058 1.00 0.00 C ATOM 452 CG1 ILE A 28 -1.138 -0.900 5.898 1.00 0.00 C ATOM 453 CG2 ILE A 28 -0.062 -3.194 6.013 1.00 0.00 C ATOM 454 CD1 ILE A 28 -1.076 0.029 4.684 1.00 0.00 C ATOM 0 H ILE A 28 1.968 0.025 6.094 1.00 0.00 H new ATOM 0 HA ILE A 28 0.118 -0.976 8.041 1.00 0.00 H new ATOM 0 HB ILE A 28 0.801 -1.427 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.971 -1.594 5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.328 -0.316 6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.582 -3.456 5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.898 -3.709 6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.665 -3.496 6.869 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.016 0.573 4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.258 0.738 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.910 -0.561 3.783 1.00 0.00 H new ATOM 466 N VAL A 29 2.941 -2.521 7.621 1.00 0.00 N ATOM 467 CA VAL A 29 3.800 -3.561 8.161 1.00 0.00 C ATOM 468 C VAL A 29 4.425 -3.072 9.469 1.00 0.00 C ATOM 469 O VAL A 29 5.432 -3.615 9.921 1.00 0.00 O ATOM 470 CB VAL A 29 4.840 -3.975 7.119 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.193 -5.458 7.255 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.356 -3.654 5.703 1.00 0.00 C ATOM 0 H VAL A 29 3.394 -1.900 6.951 1.00 0.00 H new ATOM 0 HA VAL A 29 3.219 -4.454 8.392 1.00 0.00 H new ATOM 0 HB VAL A 29 5.746 -3.397 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.934 -5.726 6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.600 -5.645 8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.296 -6.060 7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.114 -3.958 4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.429 -4.192 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.179 -2.582 5.613 1.00 0.00 H new ATOM 482 N GLU A 30 3.803 -2.051 10.040 1.00 0.00 N ATOM 483 CA GLU A 30 4.286 -1.482 11.287 1.00 0.00 C ATOM 484 C GLU A 30 4.083 -2.472 12.435 1.00 0.00 C ATOM 485 O GLU A 30 4.829 -2.455 13.414 1.00 0.00 O ATOM 486 CB GLU A 30 3.598 -0.149 11.584 1.00 0.00 C ATOM 487 CG GLU A 30 4.208 0.981 10.751 1.00 0.00 C ATOM 488 CD GLU A 30 5.285 1.726 11.542 1.00 0.00 C ATOM 489 OE1 GLU A 30 5.785 1.130 12.520 1.00 0.00 O ATOM 490 OE2 GLU A 30 5.583 2.875 11.151 1.00 0.00 O ATOM 0 H GLU A 30 2.968 -1.603 9.662 1.00 0.00 H new ATOM 0 HA GLU A 30 5.354 -1.287 11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.533 -0.230 11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.692 0.085 12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.640 0.572 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.426 1.678 10.449 1.00 0.00 H new ATOM 497 N ASN A 31 3.071 -3.312 12.279 1.00 0.00 N ATOM 498 CA ASN A 31 2.760 -4.307 13.291 1.00 0.00 C ATOM 499 C ASN A 31 2.303 -5.598 12.608 1.00 0.00 C ATOM 500 O ASN A 31 1.216 -6.101 12.888 1.00 0.00 O ATOM 501 CB ASN A 31 1.630 -3.830 14.204 1.00 0.00 C ATOM 502 CG ASN A 31 1.885 -2.403 14.693 1.00 0.00 C ATOM 503 OD1 ASN A 31 1.198 -1.462 14.330 1.00 0.00 O ATOM 504 ND2 ASN A 31 2.909 -2.295 15.535 1.00 0.00 N ATOM 0 H ASN A 31 2.455 -3.324 11.466 1.00 0.00 H new ATOM 0 HA ASN A 31 3.658 -4.474 13.886 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.682 -3.870 13.667 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.541 -4.501 15.059 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.160 -1.384 15.918 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.443 -3.124 15.798 1.00 0.00 H new ATOM 511 N GLU A 32 3.156 -6.096 11.724 1.00 0.00 N ATOM 512 CA GLU A 32 2.853 -7.318 10.999 1.00 0.00 C ATOM 513 C GLU A 32 2.696 -8.488 11.972 1.00 0.00 C ATOM 514 O GLU A 32 2.189 -8.316 13.079 1.00 0.00 O ATOM 515 CB GLU A 32 3.929 -7.616 9.953 1.00 0.00 C ATOM 516 CG GLU A 32 5.220 -8.101 10.616 1.00 0.00 C ATOM 517 CD GLU A 32 5.804 -9.300 9.866 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.331 -9.548 8.736 1.00 0.00 O ATOM 519 OE2 GLU A 32 6.711 -9.941 10.440 1.00 0.00 O ATOM 0 H GLU A 32 4.056 -5.675 11.494 1.00 0.00 H new ATOM 0 HA GLU A 32 1.909 -7.180 10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.566 -8.374 9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.131 -6.719 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.949 -7.291 10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.020 -8.377 11.651 1.00 0.00 H new ATOM 526 N ASP A 33 3.142 -9.653 11.524 1.00 0.00 N ATOM 527 CA ASP A 33 3.058 -10.851 12.342 1.00 0.00 C ATOM 528 C ASP A 33 4.098 -11.865 11.862 1.00 0.00 C ATOM 529 O ASP A 33 5.197 -11.488 11.457 1.00 0.00 O ATOM 530 CB ASP A 33 1.677 -11.500 12.227 1.00 0.00 C ATOM 531 CG ASP A 33 1.218 -12.269 13.468 1.00 0.00 C ATOM 532 OD1 ASP A 33 1.208 -11.644 14.550 1.00 0.00 O ATOM 533 OD2 ASP A 33 0.889 -13.463 13.306 1.00 0.00 O ATOM 0 H ASP A 33 3.563 -9.792 10.605 1.00 0.00 H new ATOM 0 HA ASP A 33 3.237 -10.565 13.378 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.944 -10.723 12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.682 -12.182 11.377 1.00 0.00 H new ATOM 538 N LYS A 34 3.715 -13.132 11.923 1.00 0.00 N ATOM 539 CA LYS A 34 4.601 -14.203 11.499 1.00 0.00 C ATOM 540 C LYS A 34 3.767 -15.424 11.106 1.00 0.00 C ATOM 541 O LYS A 34 4.077 -16.546 11.503 1.00 0.00 O ATOM 542 CB LYS A 34 5.645 -14.493 12.580 1.00 0.00 C ATOM 543 CG LYS A 34 6.928 -13.698 12.330 1.00 0.00 C ATOM 544 CD LYS A 34 8.157 -14.607 12.394 1.00 0.00 C ATOM 545 CE LYS A 34 8.426 -15.066 13.829 1.00 0.00 C ATOM 546 NZ LYS A 34 8.998 -13.959 14.628 1.00 0.00 N ATOM 0 H LYS A 34 2.803 -13.441 12.260 1.00 0.00 H new ATOM 0 HA LYS A 34 5.165 -13.904 10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.240 -14.238 13.559 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.871 -15.559 12.596 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.878 -13.217 11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.019 -12.905 13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.005 -15.476 11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.027 -14.075 12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.499 -15.411 14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.113 -15.912 13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.331 -14.327 15.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.797 -13.536 14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.269 -13.235 14.791 1.00 0.00 H new ATOM 560 N ARG A 35 2.725 -15.163 10.330 1.00 0.00 N ATOM 561 CA ARG A 35 1.844 -16.227 9.879 1.00 0.00 C ATOM 562 C ARG A 35 0.829 -15.684 8.871 1.00 0.00 C ATOM 563 O ARG A 35 0.450 -16.380 7.930 1.00 0.00 O ATOM 564 CB ARG A 35 1.096 -16.859 11.055 1.00 0.00 C ATOM 565 CG ARG A 35 1.395 -18.356 11.154 1.00 0.00 C ATOM 566 CD ARG A 35 1.842 -18.733 12.568 1.00 0.00 C ATOM 567 NE ARG A 35 0.663 -18.879 13.450 1.00 0.00 N ATOM 568 CZ ARG A 35 -0.053 -20.005 13.567 1.00 0.00 C ATOM 569 NH1 ARG A 35 0.286 -21.091 12.859 1.00 0.00 N ATOM 570 NH2 ARG A 35 -1.109 -20.046 14.392 1.00 0.00 N ATOM 0 H ARG A 35 2.471 -14.231 10.002 1.00 0.00 H new ATOM 0 HA ARG A 35 2.461 -16.989 9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.385 -16.365 11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.024 -16.706 10.933 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.506 -18.927 10.885 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.173 -18.623 10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.406 -19.666 12.543 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.510 -17.967 12.963 1.00 0.00 H new ATOM 0 HE ARG A 35 0.377 -18.071 14.004 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.089 -21.060 12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.259 -21.948 12.948 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.368 -19.219 14.931 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.654 -20.904 14.481 1.00 0.00 H new ATOM 584 N LYS A 36 0.418 -14.446 9.102 1.00 0.00 N ATOM 585 CA LYS A 36 -0.545 -13.801 8.225 1.00 0.00 C ATOM 586 C LYS A 36 -0.291 -12.292 8.217 1.00 0.00 C ATOM 587 O LYS A 36 -1.186 -11.507 8.528 1.00 0.00 O ATOM 588 CB LYS A 36 -1.972 -14.183 8.624 1.00 0.00 C ATOM 589 CG LYS A 36 -2.395 -13.460 9.905 1.00 0.00 C ATOM 590 CD LYS A 36 -3.001 -14.439 10.913 1.00 0.00 C ATOM 591 CE LYS A 36 -4.501 -14.616 10.671 1.00 0.00 C ATOM 592 NZ LYS A 36 -4.762 -15.864 9.920 1.00 0.00 N ATOM 0 H LYS A 36 0.734 -13.872 9.884 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.421 -14.150 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.659 -13.931 7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.036 -15.261 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.532 -12.964 10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.121 -12.683 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.500 -15.404 10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.833 -14.074 11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.028 -14.642 11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.889 -13.762 10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.785 -15.968 9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.275 -15.825 9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.410 -16.677 10.465 1.00 0.00 H new ATOM 606 N PRO A 37 0.965 -11.923 7.849 1.00 0.00 N ATOM 607 CA PRO A 37 1.347 -10.522 7.796 1.00 0.00 C ATOM 608 C PRO A 37 0.747 -9.835 6.568 1.00 0.00 C ATOM 609 O PRO A 37 -0.032 -10.440 5.832 1.00 0.00 O ATOM 610 CB PRO A 37 2.867 -10.529 7.789 1.00 0.00 C ATOM 611 CG PRO A 37 3.275 -11.932 7.370 1.00 0.00 C ATOM 612 CD PRO A 37 2.049 -12.825 7.473 1.00 0.00 C ATOM 0 HA PRO A 37 0.968 -9.951 8.643 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.258 -9.785 7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.263 -10.285 8.775 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.660 -11.929 6.350 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.074 -12.305 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.840 -13.322 6.526 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.190 -13.607 8.219 1.00 0.00 H new ATOM 620 N TYR A 38 1.132 -8.581 6.383 1.00 0.00 N ATOM 621 CA TYR A 38 0.642 -7.806 5.256 1.00 0.00 C ATOM 622 C TYR A 38 1.488 -8.060 4.007 1.00 0.00 C ATOM 623 O TYR A 38 2.078 -7.133 3.454 1.00 0.00 O ATOM 624 CB TYR A 38 0.782 -6.337 5.662 1.00 0.00 C ATOM 625 CG TYR A 38 0.228 -6.020 7.053 1.00 0.00 C ATOM 626 CD1 TYR A 38 -1.135 -5.921 7.246 1.00 0.00 C ATOM 627 CD2 TYR A 38 1.091 -5.834 8.114 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.657 -5.623 8.555 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.569 -5.536 9.422 1.00 0.00 C ATOM 630 CZ TYR A 38 -0.779 -5.445 9.578 1.00 0.00 C ATOM 631 OH TYR A 38 -1.272 -5.164 10.814 1.00 0.00 O ATOM 0 H TYR A 38 1.778 -8.082 6.995 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.387 -8.079 5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.836 -6.061 5.630 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.268 -5.717 4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.810 -6.067 6.416 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.158 -5.912 7.963 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.721 -5.543 8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.233 -5.388 10.261 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.531 -5.064 11.447 1.00 0.00 H new ATOM 641 N SER A 39 1.519 -9.320 3.598 1.00 0.00 N ATOM 642 CA SER A 39 2.282 -9.707 2.424 1.00 0.00 C ATOM 643 C SER A 39 1.807 -8.913 1.206 1.00 0.00 C ATOM 644 O SER A 39 0.768 -8.256 1.255 1.00 0.00 O ATOM 645 CB SER A 39 2.160 -11.209 2.159 1.00 0.00 C ATOM 646 OG SER A 39 1.944 -11.947 3.358 1.00 0.00 O ATOM 0 H SER A 39 1.028 -10.086 4.059 1.00 0.00 H new ATOM 0 HA SER A 39 3.332 -9.482 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.336 -11.390 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.068 -11.566 1.672 1.00 0.00 H new ATOM 0 HG SER A 39 1.870 -12.901 3.146 1.00 0.00 H new ATOM 652 N ASP A 40 2.591 -8.999 0.141 1.00 0.00 N ATOM 653 CA ASP A 40 2.264 -8.296 -1.088 1.00 0.00 C ATOM 654 C ASP A 40 0.780 -8.494 -1.404 1.00 0.00 C ATOM 655 O ASP A 40 0.106 -7.564 -1.844 1.00 0.00 O ATOM 656 CB ASP A 40 3.075 -8.839 -2.266 1.00 0.00 C ATOM 657 CG ASP A 40 3.473 -10.312 -2.152 1.00 0.00 C ATOM 658 OD1 ASP A 40 4.178 -10.636 -1.173 1.00 0.00 O ATOM 659 OD2 ASP A 40 3.062 -11.082 -3.048 1.00 0.00 O ATOM 0 H ASP A 40 3.452 -9.545 0.104 1.00 0.00 H new ATOM 0 HA ASP A 40 2.498 -7.241 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.496 -8.704 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.980 -8.241 -2.371 1.00 0.00 H new ATOM 664 N GLN A 41 0.315 -9.712 -1.168 1.00 0.00 N ATOM 665 CA GLN A 41 -1.076 -10.044 -1.422 1.00 0.00 C ATOM 666 C GLN A 41 -1.989 -9.273 -0.466 1.00 0.00 C ATOM 667 O GLN A 41 -3.014 -8.734 -0.881 1.00 0.00 O ATOM 668 CB GLN A 41 -1.310 -11.552 -1.307 1.00 0.00 C ATOM 669 CG GLN A 41 -2.096 -11.890 -0.039 1.00 0.00 C ATOM 670 CD GLN A 41 -3.572 -11.517 -0.194 1.00 0.00 C ATOM 671 OE1 GLN A 41 -4.175 -11.686 -1.240 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.118 -11.003 0.905 1.00 0.00 N ATOM 0 H GLN A 41 0.877 -10.481 -0.803 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.319 -9.749 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.855 -11.907 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.352 -12.072 -1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.007 -12.955 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.670 -11.357 0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.556 -10.889 1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.099 -10.723 0.904 1.00 0.00 H new ATOM 681 N GLU A 42 -1.584 -9.246 0.795 1.00 0.00 N ATOM 682 CA GLU A 42 -2.352 -8.550 1.813 1.00 0.00 C ATOM 683 C GLU A 42 -2.394 -7.050 1.514 1.00 0.00 C ATOM 684 O GLU A 42 -3.438 -6.516 1.142 1.00 0.00 O ATOM 685 CB GLU A 42 -1.782 -8.816 3.207 1.00 0.00 C ATOM 686 CG GLU A 42 -2.646 -8.161 4.287 1.00 0.00 C ATOM 687 CD GLU A 42 -2.551 -8.930 5.607 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.649 -10.174 5.547 1.00 0.00 O ATOM 689 OE2 GLU A 42 -2.381 -8.255 6.645 1.00 0.00 O ATOM 0 H GLU A 42 -0.734 -9.695 1.135 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.373 -8.932 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.727 -9.890 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.764 -8.431 3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.325 -7.130 4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.684 -8.127 3.956 1.00 0.00 H new ATOM 696 N ILE A 43 -1.246 -6.412 1.688 1.00 0.00 N ATOM 697 CA ILE A 43 -1.138 -4.985 1.441 1.00 0.00 C ATOM 698 C ILE A 43 -1.917 -4.630 0.174 1.00 0.00 C ATOM 699 O ILE A 43 -2.653 -3.644 0.148 1.00 0.00 O ATOM 700 CB ILE A 43 0.331 -4.558 1.399 1.00 0.00 C ATOM 701 CG1 ILE A 43 0.731 -3.843 2.691 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.620 -3.707 0.160 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.074 -4.361 3.212 1.00 0.00 C ATOM 0 H ILE A 43 -0.382 -6.858 1.997 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.587 -4.422 2.260 1.00 0.00 H new ATOM 0 HB ILE A 43 0.945 -5.455 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.796 -2.770 2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.039 -3.994 3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.671 -3.417 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.398 -4.284 -0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.003 -2.813 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.335 -3.836 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.998 -5.430 3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.847 -4.187 2.463 1.00 0.00 H new ATOM 715 N ALA A 44 -1.730 -5.453 -0.848 1.00 0.00 N ATOM 716 CA ALA A 44 -2.407 -5.238 -2.116 1.00 0.00 C ATOM 717 C ALA A 44 -3.919 -5.211 -1.883 1.00 0.00 C ATOM 718 O ALA A 44 -4.617 -4.350 -2.416 1.00 0.00 O ATOM 719 CB ALA A 44 -1.989 -6.325 -3.108 1.00 0.00 C ATOM 0 H ALA A 44 -1.119 -6.270 -0.824 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.122 -4.278 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.497 -6.164 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.911 -6.283 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.262 -7.303 -2.712 1.00 0.00 H new ATOM 725 N ASN A 45 -4.381 -6.164 -1.087 1.00 0.00 N ATOM 726 CA ASN A 45 -5.797 -6.261 -0.778 1.00 0.00 C ATOM 727 C ASN A 45 -6.208 -5.068 0.088 1.00 0.00 C ATOM 728 O ASN A 45 -7.301 -4.528 -0.072 1.00 0.00 O ATOM 729 CB ASN A 45 -6.105 -7.540 0.004 1.00 0.00 C ATOM 730 CG ASN A 45 -6.323 -8.722 -0.943 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.415 -8.969 -1.428 1.00 0.00 O ATOM 732 ND2 ASN A 45 -5.226 -9.436 -1.178 1.00 0.00 N ATOM 0 H ASN A 45 -3.799 -6.876 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.347 -6.273 -1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.283 -7.761 0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.994 -7.391 0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.267 -10.246 -1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.343 -9.174 -0.739 1.00 0.00 H new ATOM 739 N ILE A 46 -5.309 -4.691 0.986 1.00 0.00 N ATOM 740 CA ILE A 46 -5.564 -3.572 1.876 1.00 0.00 C ATOM 741 C ILE A 46 -5.978 -2.352 1.051 1.00 0.00 C ATOM 742 O ILE A 46 -6.931 -1.657 1.398 1.00 0.00 O ATOM 743 CB ILE A 46 -4.356 -3.321 2.781 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.447 -4.156 4.061 1.00 0.00 C ATOM 745 CG2 ILE A 46 -4.196 -1.829 3.080 1.00 0.00 C ATOM 746 CD1 ILE A 46 -3.270 -3.861 4.992 1.00 0.00 C ATOM 0 H ILE A 46 -4.403 -5.141 1.116 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.393 -3.800 2.546 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.459 -3.641 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.384 -3.941 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.458 -5.216 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.330 -1.678 3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.053 -1.284 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.091 -1.460 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.359 -4.467 5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.336 -4.100 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.276 -2.805 5.262 1.00 0.00 H new ATOM 758 N LEU A 47 -5.240 -2.130 -0.027 1.00 0.00 N ATOM 759 CA LEU A 47 -5.518 -1.006 -0.906 1.00 0.00 C ATOM 760 C LEU A 47 -7.004 -1.005 -1.270 1.00 0.00 C ATOM 761 O LEU A 47 -7.606 0.055 -1.435 1.00 0.00 O ATOM 762 CB LEU A 47 -4.587 -1.032 -2.120 1.00 0.00 C ATOM 763 CG LEU A 47 -5.102 -1.793 -3.343 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.905 -0.873 -4.264 1.00 0.00 C ATOM 765 CD2 LEU A 47 -3.953 -2.483 -4.082 1.00 0.00 C ATOM 0 H LEU A 47 -4.450 -2.709 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.313 -0.064 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.381 -0.004 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.638 -1.473 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.780 -2.574 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.259 -1.439 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.758 -0.468 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.270 -0.055 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.346 -3.017 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.232 -1.735 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.462 -3.189 -3.412 1.00 0.00 H new ATOM 777 N LYS A 48 -7.554 -2.205 -1.386 1.00 0.00 N ATOM 778 CA LYS A 48 -8.958 -2.356 -1.727 1.00 0.00 C ATOM 779 C LYS A 48 -9.810 -1.594 -0.711 1.00 0.00 C ATOM 780 O LYS A 48 -10.925 -1.176 -1.019 1.00 0.00 O ATOM 781 CB LYS A 48 -9.324 -3.836 -1.850 1.00 0.00 C ATOM 782 CG LYS A 48 -10.686 -4.010 -2.524 1.00 0.00 C ATOM 783 CD LYS A 48 -11.446 -5.197 -1.926 1.00 0.00 C ATOM 784 CE LYS A 48 -12.576 -4.720 -1.013 1.00 0.00 C ATOM 785 NZ LYS A 48 -12.653 -5.564 0.201 1.00 0.00 N ATOM 0 H LYS A 48 -7.052 -3.082 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.161 -1.920 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.560 -4.356 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.343 -4.293 -0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.274 -3.100 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.549 -4.163 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.856 -5.812 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.758 -5.826 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.409 -3.681 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.524 -4.756 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.425 -5.226 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.834 -6.551 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.753 -5.508 0.720 1.00 0.00 H new ATOM 799 N GLU A 49 -9.253 -1.436 0.481 1.00 0.00 N ATOM 800 CA GLU A 49 -9.948 -0.731 1.545 1.00 0.00 C ATOM 801 C GLU A 49 -10.664 0.500 0.986 1.00 0.00 C ATOM 802 O GLU A 49 -11.691 0.920 1.517 1.00 0.00 O ATOM 803 CB GLU A 49 -8.984 -0.343 2.667 1.00 0.00 C ATOM 804 CG GLU A 49 -8.701 -1.535 3.583 1.00 0.00 C ATOM 805 CD GLU A 49 -8.974 -1.179 5.046 1.00 0.00 C ATOM 806 OE1 GLU A 49 -9.982 -0.479 5.281 1.00 0.00 O ATOM 807 OE2 GLU A 49 -8.168 -1.615 5.896 1.00 0.00 O ATOM 0 H GLU A 49 -8.328 -1.784 0.734 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.696 -1.400 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.050 0.021 2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.408 0.475 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.323 -2.380 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.663 -1.848 3.469 1.00 0.00 H new ATOM 885 N VAL A 54 -2.701 1.155 -5.836 1.00 0.00 N ATOM 886 CA VAL A 54 -1.690 0.111 -5.815 1.00 0.00 C ATOM 887 C VAL A 54 -2.186 -1.089 -6.624 1.00 0.00 C ATOM 888 O VAL A 54 -3.287 -1.062 -7.171 1.00 0.00 O ATOM 889 CB VAL A 54 -1.336 -0.246 -4.370 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.168 -0.484 -4.216 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.822 0.835 -3.403 1.00 0.00 C ATOM 0 HA VAL A 54 -0.770 0.460 -6.283 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.849 -1.174 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.392 -0.736 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.475 -1.305 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.710 0.420 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.558 0.556 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.351 1.786 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.905 0.935 -3.483 1.00 0.00 H new ATOM 901 N ALA A 55 -1.349 -2.115 -6.673 1.00 0.00 N ATOM 902 CA ALA A 55 -1.688 -3.323 -7.406 1.00 0.00 C ATOM 903 C ALA A 55 -0.583 -4.362 -7.208 1.00 0.00 C ATOM 904 O ALA A 55 0.574 -4.008 -6.985 1.00 0.00 O ATOM 905 CB ALA A 55 -1.909 -2.981 -8.881 1.00 0.00 C ATOM 0 H ALA A 55 -0.437 -2.135 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.616 -3.753 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.163 -3.887 -9.431 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.724 -2.262 -8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.998 -2.549 -9.295 1.00 0.00 H new ATOM 911 N ARG A 56 -0.978 -5.624 -7.295 1.00 0.00 N ATOM 912 CA ARG A 56 -0.035 -6.717 -7.129 1.00 0.00 C ATOM 913 C ARG A 56 1.337 -6.322 -7.678 1.00 0.00 C ATOM 914 O ARG A 56 2.357 -6.535 -7.024 1.00 0.00 O ATOM 915 CB ARG A 56 -0.521 -7.978 -7.846 1.00 0.00 C ATOM 916 CG ARG A 56 -1.017 -9.022 -6.843 1.00 0.00 C ATOM 917 CD ARG A 56 -2.204 -9.804 -7.408 1.00 0.00 C ATOM 918 NE ARG A 56 -1.763 -10.643 -8.544 1.00 0.00 N ATOM 919 CZ ARG A 56 -1.058 -11.775 -8.413 1.00 0.00 C ATOM 920 NH1 ARG A 56 -0.709 -12.209 -7.194 1.00 0.00 N ATOM 921 NH2 ARG A 56 -0.701 -12.472 -9.500 1.00 0.00 N ATOM 0 H ARG A 56 -1.939 -5.914 -7.478 1.00 0.00 H new ATOM 0 HA ARG A 56 0.044 -6.928 -6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.324 -7.721 -8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.290 -8.397 -8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.207 -9.710 -6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.309 -8.530 -5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.640 -10.431 -6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.982 -9.114 -7.735 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.011 -10.341 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.980 -11.678 -6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.172 -13.071 -7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.966 -12.141 -10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.164 -13.334 -9.400 1.00 0.00 H new ATOM 935 N ARG A 57 1.319 -5.755 -8.875 1.00 0.00 N ATOM 936 CA ARG A 57 2.549 -5.329 -9.521 1.00 0.00 C ATOM 937 C ARG A 57 3.255 -4.270 -8.671 1.00 0.00 C ATOM 938 O ARG A 57 4.431 -4.416 -8.341 1.00 0.00 O ATOM 939 CB ARG A 57 2.271 -4.755 -10.912 1.00 0.00 C ATOM 940 CG ARG A 57 3.561 -4.253 -11.565 1.00 0.00 C ATOM 941 CD ARG A 57 4.327 -5.403 -12.221 1.00 0.00 C ATOM 942 NE ARG A 57 4.679 -5.048 -13.614 1.00 0.00 N ATOM 943 CZ ARG A 57 4.974 -5.944 -14.566 1.00 0.00 C ATOM 944 NH1 ARG A 57 4.961 -7.253 -14.281 1.00 0.00 N ATOM 945 NH2 ARG A 57 5.282 -5.531 -15.803 1.00 0.00 N ATOM 0 H ARG A 57 0.471 -5.580 -9.415 1.00 0.00 H new ATOM 0 HA ARG A 57 3.190 -6.204 -9.624 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.815 -5.520 -11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.555 -3.936 -10.835 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.324 -3.496 -12.313 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.190 -3.774 -10.815 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.232 -5.619 -11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.720 -6.308 -12.210 1.00 0.00 H new ATOM 0 HE ARG A 57 4.698 -4.060 -13.865 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.727 -7.568 -13.339 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.185 -7.935 -15.006 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.292 -4.534 -16.020 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.506 -6.213 -16.527 1.00 0.00 H new ATOM 959 N THR A 58 2.507 -3.226 -8.342 1.00 0.00 N ATOM 960 CA THR A 58 3.047 -2.143 -7.538 1.00 0.00 C ATOM 961 C THR A 58 3.507 -2.668 -6.176 1.00 0.00 C ATOM 962 O THR A 58 4.575 -2.297 -5.692 1.00 0.00 O ATOM 963 CB THR A 58 1.980 -1.051 -7.439 1.00 0.00 C ATOM 964 OG1 THR A 58 2.185 -0.258 -8.605 1.00 0.00 O ATOM 965 CG2 THR A 58 2.237 -0.084 -6.281 1.00 0.00 C ATOM 0 H THR A 58 1.532 -3.108 -8.618 1.00 0.00 H new ATOM 0 HA THR A 58 3.934 -1.711 -8.001 1.00 0.00 H new ATOM 0 HB THR A 58 1.000 -1.512 -7.316 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.533 0.474 -8.622 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.451 0.671 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.241 -0.635 -5.341 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.202 0.402 -6.420 1.00 0.00 H new ATOM 973 N VAL A 59 2.678 -3.524 -5.597 1.00 0.00 N ATOM 974 CA VAL A 59 2.986 -4.104 -4.301 1.00 0.00 C ATOM 975 C VAL A 59 4.246 -4.963 -4.418 1.00 0.00 C ATOM 976 O VAL A 59 5.143 -4.873 -3.581 1.00 0.00 O ATOM 977 CB VAL A 59 1.778 -4.882 -3.775 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.858 -5.059 -2.257 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.469 -4.201 -4.179 1.00 0.00 C ATOM 0 H VAL A 59 1.793 -3.830 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 59 3.193 -3.321 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 59 1.794 -5.873 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.987 -5.615 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.765 -5.608 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.879 -4.081 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.374 -4.774 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.441 -3.192 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.406 -4.151 -5.266 1.00 0.00 H new ATOM 989 N ALA A 60 4.274 -5.777 -5.463 1.00 0.00 N ATOM 990 CA ALA A 60 5.409 -6.652 -5.701 1.00 0.00 C ATOM 991 C ALA A 60 6.688 -5.814 -5.767 1.00 0.00 C ATOM 992 O ALA A 60 7.714 -6.197 -5.207 1.00 0.00 O ATOM 993 CB ALA A 60 5.174 -7.458 -6.980 1.00 0.00 C ATOM 0 H ALA A 60 3.528 -5.849 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 60 5.522 -7.364 -4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.026 -8.114 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.270 -8.058 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.058 -6.777 -7.823 1.00 0.00 H new ATOM 999 N LYS A 61 6.584 -4.688 -6.456 1.00 0.00 N ATOM 1000 CA LYS A 61 7.720 -3.793 -6.603 1.00 0.00 C ATOM 1001 C LYS A 61 8.117 -3.251 -5.228 1.00 0.00 C ATOM 1002 O LYS A 61 9.299 -3.211 -4.891 1.00 0.00 O ATOM 1003 CB LYS A 61 7.412 -2.701 -7.630 1.00 0.00 C ATOM 1004 CG LYS A 61 7.728 -3.178 -9.049 1.00 0.00 C ATOM 1005 CD LYS A 61 8.766 -2.272 -9.714 1.00 0.00 C ATOM 1006 CE LYS A 61 8.627 -2.306 -11.237 1.00 0.00 C ATOM 1007 NZ LYS A 61 9.671 -1.470 -11.871 1.00 0.00 N ATOM 0 H LYS A 61 5.731 -4.374 -6.919 1.00 0.00 H new ATOM 0 HA LYS A 61 8.583 -4.332 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.361 -2.420 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.996 -1.809 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.101 -4.202 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.815 -3.189 -9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.644 -1.249 -9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.769 -2.591 -9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.709 -3.333 -11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.639 -1.947 -11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.563 -1.504 -12.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.574 -0.487 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.611 -1.831 -11.609 1.00 0.00 H new ATOM 1021 N TYR A 62 7.106 -2.846 -4.473 1.00 0.00 N ATOM 1022 CA TYR A 62 7.335 -2.308 -3.143 1.00 0.00 C ATOM 1023 C TYR A 62 7.859 -3.390 -2.196 1.00 0.00 C ATOM 1024 O TYR A 62 8.752 -3.134 -1.389 1.00 0.00 O ATOM 1025 CB TYR A 62 5.972 -1.826 -2.642 1.00 0.00 C ATOM 1026 CG TYR A 62 5.586 -0.430 -3.135 1.00 0.00 C ATOM 1027 CD1 TYR A 62 5.734 -0.103 -4.467 1.00 0.00 C ATOM 1028 CD2 TYR A 62 5.092 0.503 -2.246 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.371 1.212 -4.931 1.00 0.00 C ATOM 1030 CE2 TYR A 62 4.729 1.817 -2.709 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.886 2.107 -4.029 1.00 0.00 C ATOM 1032 OH TYR A 62 4.544 3.348 -4.466 1.00 0.00 O ATOM 0 H TYR A 62 6.127 -2.880 -4.757 1.00 0.00 H new ATOM 0 HA TYR A 62 8.075 -1.509 -3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.208 -2.536 -2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.976 -1.827 -1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.122 -0.833 -5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.978 0.247 -1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.482 1.481 -5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.341 2.556 -2.024 1.00 0.00 H new ATOM 0 HH TYR A 62 4.997 4.024 -3.919 1.00 0.00 H new ATOM 1042 N ARG A 63 7.282 -4.575 -2.326 1.00 0.00 N ATOM 1043 CA ARG A 63 7.679 -5.697 -1.492 1.00 0.00 C ATOM 1044 C ARG A 63 9.205 -5.773 -1.397 1.00 0.00 C ATOM 1045 O ARG A 63 9.751 -6.037 -0.327 1.00 0.00 O ATOM 1046 CB ARG A 63 7.143 -7.016 -2.051 1.00 0.00 C ATOM 1047 CG ARG A 63 7.213 -8.126 -1.000 1.00 0.00 C ATOM 1048 CD ARG A 63 8.207 -9.212 -1.415 1.00 0.00 C ATOM 1049 NE ARG A 63 9.325 -9.270 -0.447 1.00 0.00 N ATOM 1050 CZ ARG A 63 10.262 -10.229 -0.438 1.00 0.00 C ATOM 1051 NH1 ARG A 63 10.220 -11.214 -1.345 1.00 0.00 N ATOM 1052 NH2 ARG A 63 11.240 -10.201 0.477 1.00 0.00 N ATOM 0 H ARG A 63 6.542 -4.783 -2.997 1.00 0.00 H new ATOM 0 HA ARG A 63 7.257 -5.539 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.111 -6.884 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.721 -7.305 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.510 -7.704 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.225 -8.565 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.705 -10.178 -1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.590 -9.004 -2.414 1.00 0.00 H new ATOM 0 HE ARG A 63 9.387 -8.535 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.476 -11.234 -2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.933 -11.944 -1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.272 -9.450 1.167 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.953 -10.930 0.484 1.00 0.00 H new ATOM 1066 N GLU A 64 9.848 -5.538 -2.531 1.00 0.00 N ATOM 1067 CA GLU A 64 11.300 -5.577 -2.590 1.00 0.00 C ATOM 1068 C GLU A 64 11.894 -4.397 -1.818 1.00 0.00 C ATOM 1069 O GLU A 64 12.905 -4.544 -1.133 1.00 0.00 O ATOM 1070 CB GLU A 64 11.790 -5.588 -4.039 1.00 0.00 C ATOM 1071 CG GLU A 64 13.128 -6.320 -4.160 1.00 0.00 C ATOM 1072 CD GLU A 64 13.680 -6.221 -5.583 1.00 0.00 C ATOM 1073 OE1 GLU A 64 13.315 -7.098 -6.396 1.00 0.00 O ATOM 1074 OE2 GLU A 64 14.455 -5.271 -5.826 1.00 0.00 O ATOM 0 H GLU A 64 9.391 -5.320 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 64 11.639 -6.500 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.048 -6.072 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.898 -4.564 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.845 -5.894 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.999 -7.368 -3.888 1.00 0.00 H new ATOM 1081 N MET A 65 11.241 -3.252 -1.956 1.00 0.00 N ATOM 1082 CA MET A 65 11.692 -2.048 -1.281 1.00 0.00 C ATOM 1083 C MET A 65 11.513 -2.168 0.234 1.00 0.00 C ATOM 1084 O MET A 65 12.349 -1.693 1.001 1.00 0.00 O ATOM 1085 CB MET A 65 10.897 -0.846 -1.795 1.00 0.00 C ATOM 1086 CG MET A 65 11.607 -0.184 -2.977 1.00 0.00 C ATOM 1087 SD MET A 65 11.163 -1.010 -4.496 1.00 0.00 S ATOM 1088 CE MET A 65 9.663 -0.131 -4.900 1.00 0.00 C ATOM 0 H MET A 65 10.403 -3.133 -2.526 1.00 0.00 H new ATOM 0 HA MET A 65 12.752 -1.911 -1.493 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.901 -1.167 -2.098 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.767 -0.121 -0.992 1.00 0.00 H new ATOM 0 HG2 MET A 65 11.333 0.870 -3.033 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.687 -0.225 -2.833 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.157 -0.635 -5.724 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.008 -0.111 -4.029 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.907 0.890 -5.194 1.00 0.00 H new ATOM 1098 N LEU A 66 10.418 -2.806 0.619 1.00 0.00 N ATOM 1099 CA LEU A 66 10.118 -2.995 2.028 1.00 0.00 C ATOM 1100 C LEU A 66 10.879 -4.217 2.547 1.00 0.00 C ATOM 1101 O LEU A 66 11.696 -4.103 3.459 1.00 0.00 O ATOM 1102 CB LEU A 66 8.606 -3.073 2.249 1.00 0.00 C ATOM 1103 CG LEU A 66 7.816 -1.801 1.934 1.00 0.00 C ATOM 1104 CD1 LEU A 66 8.610 -0.552 2.323 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.386 -1.772 0.466 1.00 0.00 C ATOM 0 H LEU A 66 9.727 -3.199 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 66 10.457 -2.137 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.211 -3.884 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.424 -3.342 3.290 1.00 0.00 H new ATOM 0 HG LEU A 66 6.907 -1.806 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.026 0.338 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.824 -0.575 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.547 -0.528 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.826 -0.858 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.269 -1.802 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.756 -2.636 0.254 1.00 0.00 H new