USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 358 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 30 CYS SG : rot -172:sc= -0.237 USER MOD Set 1.2: A 33 CYS SG : rot 166:sc= 1.19 USER MOD Set 1.3: A 63 CYS SG : rot 70:sc= -0.251 USER MOD Set 1.4: A 66 CYS SG : rot -44:sc= 1.21 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 137:sc= 0.229 (180deg=-0.13) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.107 F(o=-1.5!,f=-0.11) USER MOD Single : A 37 TYR OH : rot -158:sc= 0.211 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= 1.94 (180deg=1.06) USER MOD Single : A 71 SER OG : rot -36:sc= 0.0069 USER MOD Single : A 75 MET CE :methyl -162:sc= -0.337 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 66.684 -6.914 -7.819 1.00 42.41 N ATOM 351 CA TYR A 25 66.175 -8.230 -8.160 1.00 12.14 C ATOM 352 C TYR A 25 65.897 -8.312 -9.653 1.00 32.30 C ATOM 353 O TYR A 25 65.846 -7.289 -10.337 1.00 32.03 O ATOM 354 CB TYR A 25 64.912 -8.546 -7.351 1.00 42.40 C ATOM 355 CG TYR A 25 65.183 -8.810 -5.884 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.814 -9.979 -5.478 1.00 12.22 C ATOM 357 CD2 TYR A 25 64.817 -7.892 -4.913 1.00 5.11 C ATOM 358 CE1 TYR A 25 66.075 -10.223 -4.142 1.00 74.12 C ATOM 359 CE2 TYR A 25 65.069 -8.130 -3.574 1.00 35.34 C ATOM 360 CZ TYR A 25 65.701 -9.294 -3.195 1.00 72.10 C ATOM 361 OH TYR A 25 65.964 -9.524 -1.863 1.00 54.31 O ATOM 0 HA TYR A 25 66.930 -8.974 -7.908 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.216 -7.712 -7.439 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.422 -9.418 -7.784 1.00 42.40 H new ATOM 0 HD1 TYR A 25 66.106 -10.710 -6.218 1.00 12.22 H new ATOM 0 HD2 TYR A 25 64.327 -6.975 -5.206 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.569 -11.136 -3.843 1.00 74.12 H new ATOM 0 HE2 TYR A 25 64.772 -7.407 -2.829 1.00 35.34 H new ATOM 0 HH TYR A 25 65.636 -8.770 -1.330 1.00 54.31 H new ATOM 371 N LYS A 26 65.747 -9.527 -10.157 1.00 31.42 N ATOM 372 CA LYS A 26 65.511 -9.734 -11.576 1.00 10.43 C ATOM 373 C LYS A 26 64.026 -9.895 -11.882 1.00 64.22 C ATOM 374 O LYS A 26 63.249 -10.407 -11.061 1.00 33.23 O ATOM 375 CB LYS A 26 66.267 -10.967 -12.085 1.00 44.31 C ATOM 376 CG LYS A 26 67.681 -10.701 -12.598 1.00 40.14 C ATOM 377 CD LYS A 26 68.692 -10.472 -11.480 1.00 14.02 C ATOM 378 CE LYS A 26 68.713 -11.622 -10.481 1.00 14.41 C ATOM 379 NZ LYS A 26 68.843 -12.956 -11.130 1.00 2.34 N ATOM 0 H LYS A 26 65.785 -10.384 -9.605 1.00 31.42 H new ATOM 0 HA LYS A 26 65.880 -8.846 -12.090 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.323 -11.697 -11.278 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.687 -11.423 -12.888 1.00 44.31 H new ATOM 0 HG2 LYS A 26 68.005 -11.546 -13.205 1.00 40.14 H new ATOM 0 HG3 LYS A 26 67.666 -9.828 -13.250 1.00 40.14 H new ATOM 0 HD2 LYS A 26 69.686 -10.348 -11.910 1.00 14.02 H new ATOM 0 HD3 LYS A 26 68.452 -9.545 -10.960 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.542 -11.479 -9.788 1.00 14.41 H new ATOM 0 HE3 LYS A 26 67.797 -11.599 -9.890 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 69.523 -13.536 -10.598 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 67.917 -13.429 -11.139 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.180 -12.836 -12.107 1.00 2.34 H new ATOM 393 N LEU A 27 63.652 -9.441 -13.074 1.00 10.35 N ATOM 394 CA LEU A 27 62.326 -9.666 -13.625 1.00 63.42 C ATOM 395 C LEU A 27 62.433 -10.646 -14.783 1.00 12.52 C ATOM 396 O LEU A 27 63.281 -10.489 -15.660 1.00 23.11 O ATOM 397 CB LEU A 27 61.705 -8.358 -14.136 1.00 14.35 C ATOM 398 CG LEU A 27 61.454 -7.280 -13.084 1.00 74.43 C ATOM 399 CD1 LEU A 27 60.870 -6.035 -13.733 1.00 23.04 C ATOM 400 CD2 LEU A 27 60.521 -7.796 -12.003 1.00 64.32 C ATOM 0 H LEU A 27 64.266 -8.904 -13.686 1.00 10.35 H new ATOM 0 HA LEU A 27 61.688 -10.065 -12.836 1.00 63.42 H new ATOM 0 HB2 LEU A 27 62.359 -7.944 -14.903 1.00 14.35 H new ATOM 0 HB3 LEU A 27 60.757 -8.594 -14.619 1.00 14.35 H new ATOM 0 HG LEU A 27 62.407 -7.021 -12.623 1.00 74.43 H new ATOM 0 HD11 LEU A 27 60.696 -5.275 -12.971 1.00 23.04 H new ATOM 0 HD12 LEU A 27 61.568 -5.651 -14.476 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.926 -6.286 -14.217 1.00 23.04 H new ATOM 0 HD21 LEU A 27 60.354 -7.014 -11.263 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.569 -8.082 -12.450 1.00 64.32 H new ATOM 0 HD23 LEU A 27 60.969 -8.664 -11.519 1.00 64.32 H new ATOM 412 N PHE A 28 61.599 -11.662 -14.781 1.00 1.00 N ATOM 413 CA PHE A 28 61.585 -12.623 -15.867 1.00 50.25 C ATOM 414 C PHE A 28 60.210 -12.675 -16.499 1.00 32.34 C ATOM 415 O PHE A 28 59.240 -13.092 -15.870 1.00 14.13 O ATOM 416 CB PHE A 28 62.023 -14.005 -15.380 1.00 13.43 C ATOM 417 CG PHE A 28 63.495 -14.078 -15.090 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.987 -13.742 -13.840 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.387 -14.467 -16.077 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.341 -13.799 -13.577 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.742 -14.523 -15.820 1.00 45.12 C ATOM 422 CZ PHE A 28 66.220 -14.186 -14.569 1.00 30.44 C ATOM 0 H PHE A 28 60.921 -11.846 -14.041 1.00 1.00 H new ATOM 0 HA PHE A 28 62.299 -12.302 -16.625 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.466 -14.261 -14.479 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.768 -14.749 -16.135 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.304 -13.432 -13.063 1.00 13.32 H new ATOM 0 HD2 PHE A 28 64.018 -14.729 -17.058 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.712 -13.541 -12.596 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.427 -14.830 -16.596 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.280 -14.225 -14.367 1.00 30.44 H new ATOM 432 N ARG A 29 60.129 -12.233 -17.739 1.00 72.21 N ATOM 433 CA ARG A 29 58.846 -12.142 -18.420 1.00 15.21 C ATOM 434 C ARG A 29 58.658 -13.309 -19.378 1.00 74.30 C ATOM 435 O ARG A 29 59.506 -13.569 -20.228 1.00 12.12 O ATOM 436 CB ARG A 29 58.725 -10.812 -19.169 1.00 53.45 C ATOM 437 CG ARG A 29 57.379 -10.621 -19.852 1.00 41.44 C ATOM 438 CD ARG A 29 57.284 -9.267 -20.544 1.00 1.41 C ATOM 439 NE ARG A 29 56.009 -9.096 -21.248 1.00 42.11 N ATOM 440 CZ ARG A 29 55.093 -8.181 -20.919 1.00 34.34 C ATOM 441 NH1 ARG A 29 55.322 -7.332 -19.927 1.00 14.43 N ATOM 442 NH2 ARG A 29 53.949 -8.108 -21.593 1.00 21.35 N ATOM 0 H ARG A 29 60.929 -11.932 -18.295 1.00 72.21 H new ATOM 0 HA ARG A 29 58.060 -12.187 -17.666 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.887 -9.993 -18.468 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.515 -10.752 -19.917 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.226 -11.415 -20.583 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.581 -10.709 -19.115 1.00 41.44 H new ATOM 0 HD2 ARG A 29 57.399 -8.474 -19.805 1.00 1.41 H new ATOM 0 HD3 ARG A 29 58.106 -9.164 -21.253 1.00 1.41 H new ATOM 0 HE ARG A 29 55.810 -9.712 -22.036 1.00 42.11 H new ATOM 0 HH11 ARG A 29 56.201 -7.376 -19.411 1.00 14.43 H new ATOM 0 HH12 ARG A 29 54.619 -6.635 -19.680 1.00 14.43 H new ATOM 0 HH21 ARG A 29 53.769 -8.752 -22.363 1.00 21.35 H new ATOM 0 HH22 ARG A 29 53.251 -7.408 -21.339 1.00 21.35 H new ATOM 456 N CYS A 30 57.553 -14.018 -19.220 1.00 53.14 N ATOM 457 CA CYS A 30 57.231 -15.138 -20.087 1.00 13.35 C ATOM 458 C CYS A 30 56.916 -14.639 -21.492 1.00 23.11 C ATOM 459 O CYS A 30 56.127 -13.714 -21.664 1.00 13.32 O ATOM 460 CB CYS A 30 56.038 -15.910 -19.521 1.00 24.13 C ATOM 461 SG CYS A 30 55.659 -17.443 -20.400 1.00 1.33 S ATOM 0 H CYS A 30 56.860 -13.836 -18.494 1.00 53.14 H new ATOM 0 HA CYS A 30 58.091 -15.806 -20.138 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.235 -16.144 -18.475 1.00 24.13 H new ATOM 0 HB3 CYS A 30 55.159 -15.265 -19.543 1.00 24.13 H new ATOM 0 HG CYS A 30 54.540 -17.933 -19.955 1.00 1.33 H new ATOM 466 N ILE A 31 57.519 -15.264 -22.492 1.00 13.20 N ATOM 467 CA ILE A 31 57.346 -14.848 -23.878 1.00 62.43 C ATOM 468 C ILE A 31 56.190 -15.599 -24.523 1.00 64.12 C ATOM 469 O ILE A 31 55.954 -15.498 -25.727 1.00 21.10 O ATOM 470 CB ILE A 31 58.630 -15.075 -24.711 1.00 61.10 C ATOM 471 CG1 ILE A 31 59.004 -16.563 -24.733 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.775 -14.241 -24.151 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.220 -16.881 -25.581 1.00 74.30 C ATOM 0 H ILE A 31 58.137 -16.066 -22.369 1.00 13.20 H new ATOM 0 HA ILE A 31 57.128 -13.780 -23.865 1.00 62.43 H new ATOM 0 HB ILE A 31 58.440 -14.758 -25.736 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.189 -16.896 -23.712 1.00 2.21 H new ATOM 0 HG13 ILE A 31 58.154 -17.135 -25.106 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.673 -14.410 -24.746 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.508 -13.185 -24.188 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.965 -14.531 -23.118 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.419 -17.952 -25.545 1.00 74.30 H new ATOM 0 HD12 ILE A 31 60.033 -16.581 -26.612 1.00 74.30 H new ATOM 0 HD13 ILE A 31 61.084 -16.338 -25.197 1.00 74.30 H new ATOM 485 N GLN A 32 55.477 -16.367 -23.714 1.00 51.33 N ATOM 486 CA GLN A 32 54.320 -17.102 -24.192 1.00 23.44 C ATOM 487 C GLN A 32 53.036 -16.345 -23.883 1.00 13.04 C ATOM 488 O GLN A 32 51.977 -16.655 -24.431 1.00 35.13 O ATOM 489 CB GLN A 32 54.260 -18.490 -23.554 1.00 55.24 C ATOM 490 CG GLN A 32 55.427 -19.391 -23.914 1.00 33.15 C ATOM 491 CD GLN A 32 55.519 -19.656 -25.401 1.00 11.55 C ATOM 492 OE1 GLN A 32 56.298 -18.847 -26.097 1.00 42.33 O flip ATOM 493 NE2 GLN A 32 54.910 -20.589 -25.914 1.00 22.30 N flip ATOM 0 H GLN A 32 55.681 -16.497 -22.723 1.00 51.33 H new ATOM 0 HA GLN A 32 54.418 -17.211 -25.272 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.223 -18.378 -22.470 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.333 -18.977 -23.856 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.355 -18.932 -23.572 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.326 -20.339 -23.385 1.00 33.15 H new ATOM 0 HE21 GLN A 32 54.319 -21.190 -25.339 1.00 22.30 H new ATOM 0 HE22 GLN A 32 54.995 -20.764 -26.915 1.00 22.30 H new ATOM 502 N CYS A 33 53.129 -15.345 -23.013 1.00 2.20 N ATOM 503 CA CYS A 33 51.933 -14.628 -22.579 1.00 22.24 C ATOM 504 C CYS A 33 52.244 -13.237 -22.033 1.00 72.42 C ATOM 505 O CYS A 33 51.440 -12.315 -22.177 1.00 22.31 O ATOM 506 CB CYS A 33 51.184 -15.449 -21.528 1.00 41.11 C ATOM 507 SG CYS A 33 52.200 -15.965 -20.123 1.00 25.30 S ATOM 0 H CYS A 33 54.002 -15.016 -22.600 1.00 2.20 H new ATOM 0 HA CYS A 33 51.305 -14.491 -23.460 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.343 -14.863 -21.157 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.768 -16.336 -22.006 1.00 41.11 H new ATOM 0 HG CYS A 33 51.431 -16.382 -19.161 1.00 25.30 H new ATOM 512 N GLY A 34 53.401 -13.079 -21.407 1.00 75.22 N ATOM 513 CA GLY A 34 53.764 -11.791 -20.851 1.00 61.15 C ATOM 514 C GLY A 34 53.771 -11.796 -19.338 1.00 41.20 C ATOM 515 O GLY A 34 53.942 -10.752 -18.715 1.00 65.41 O ATOM 0 H GLY A 34 54.093 -13.816 -21.274 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.751 -11.507 -21.215 1.00 61.15 H new ATOM 0 HA3 GLY A 34 53.064 -11.035 -21.206 1.00 61.15 H new ATOM 519 N PHE A 35 53.571 -12.971 -18.750 1.00 44.34 N ATOM 520 CA PHE A 35 53.621 -13.123 -17.300 1.00 63.14 C ATOM 521 C PHE A 35 54.998 -12.716 -16.775 1.00 62.11 C ATOM 522 O PHE A 35 56.001 -13.364 -17.079 1.00 22.11 O ATOM 523 CB PHE A 35 53.311 -14.574 -16.910 1.00 51.10 C ATOM 524 CG PHE A 35 53.300 -14.828 -15.426 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.147 -14.628 -14.683 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.440 -15.279 -14.778 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.134 -14.872 -13.323 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.431 -15.522 -13.418 1.00 63.43 C ATOM 529 CZ PHE A 35 53.277 -15.319 -12.690 1.00 22.21 C ATOM 0 H PHE A 35 53.372 -13.834 -19.257 1.00 44.34 H new ATOM 0 HA PHE A 35 52.870 -12.472 -16.852 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.340 -14.849 -17.321 1.00 51.10 H new ATOM 0 HB3 PHE A 35 54.050 -15.228 -17.373 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.250 -14.278 -15.172 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.346 -15.442 -15.343 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.229 -14.713 -12.755 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.327 -15.871 -12.925 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.267 -15.509 -11.627 1.00 22.21 H new ATOM 539 N GLU A 36 55.041 -11.639 -16.009 1.00 21.30 N ATOM 540 CA GLU A 36 56.289 -11.121 -15.479 1.00 35.33 C ATOM 541 C GLU A 36 56.527 -11.595 -14.055 1.00 44.03 C ATOM 542 O GLU A 36 55.717 -11.357 -13.161 1.00 52.25 O ATOM 543 CB GLU A 36 56.282 -9.598 -15.532 1.00 30.54 C ATOM 544 CG GLU A 36 56.377 -9.050 -16.943 1.00 13.22 C ATOM 545 CD GLU A 36 56.093 -7.567 -17.019 1.00 51.45 C ATOM 546 OE1 GLU A 36 54.989 -7.145 -16.621 1.00 54.43 O ATOM 547 OE2 GLU A 36 56.969 -6.818 -17.493 1.00 35.32 O ATOM 0 H GLU A 36 54.217 -11.102 -15.739 1.00 21.30 H new ATOM 0 HA GLU A 36 57.103 -11.501 -16.097 1.00 35.33 H new ATOM 0 HB2 GLU A 36 55.368 -9.229 -15.066 1.00 30.54 H new ATOM 0 HB3 GLU A 36 57.116 -9.216 -14.944 1.00 30.54 H new ATOM 0 HG2 GLU A 36 57.375 -9.244 -17.336 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.673 -9.583 -17.582 1.00 13.22 H new ATOM 554 N TYR A 37 57.640 -12.276 -13.863 1.00 71.04 N ATOM 555 CA TYR A 37 58.035 -12.746 -12.545 1.00 2.31 C ATOM 556 C TYR A 37 59.045 -11.798 -11.914 1.00 2.10 C ATOM 557 O TYR A 37 60.072 -11.484 -12.513 1.00 33.24 O ATOM 558 CB TYR A 37 58.623 -14.161 -12.629 1.00 64.22 C ATOM 559 CG TYR A 37 59.293 -14.622 -11.349 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.541 -15.012 -10.246 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.679 -14.659 -11.244 1.00 34.02 C ATOM 562 CE1 TYR A 37 59.153 -15.425 -9.079 1.00 32.50 C ATOM 563 CE2 TYR A 37 61.295 -15.072 -10.078 1.00 42.11 C ATOM 564 CZ TYR A 37 60.529 -15.454 -9.001 1.00 3.33 C ATOM 565 OH TYR A 37 61.142 -15.864 -7.839 1.00 35.44 O ATOM 0 H TYR A 37 58.293 -12.519 -14.608 1.00 71.04 H new ATOM 0 HA TYR A 37 57.145 -12.774 -11.917 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.827 -14.861 -12.884 1.00 64.22 H new ATOM 0 HB3 TYR A 37 59.349 -14.195 -13.441 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.463 -14.992 -10.303 1.00 13.05 H new ATOM 0 HD2 TYR A 37 61.284 -14.360 -12.087 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.556 -15.724 -8.230 1.00 32.50 H new ATOM 0 HE2 TYR A 37 62.373 -15.095 -10.013 1.00 42.11 H new ATOM 0 HH TYR A 37 62.058 -15.516 -7.812 1.00 35.44 H new ATOM 575 N ASP A 38 58.740 -11.345 -10.709 1.00 70.50 N ATOM 576 CA ASP A 38 59.660 -10.526 -9.926 1.00 10.30 C ATOM 577 C ASP A 38 60.272 -11.372 -8.821 1.00 4.53 C ATOM 578 O ASP A 38 59.543 -11.961 -8.021 1.00 73.13 O ATOM 579 CB ASP A 38 58.914 -9.319 -9.333 1.00 64.12 C ATOM 580 CG ASP A 38 59.700 -8.574 -8.261 1.00 45.13 C ATOM 581 OD1 ASP A 38 60.944 -8.495 -8.357 1.00 51.42 O ATOM 582 OD2 ASP A 38 59.067 -8.058 -7.316 1.00 30.54 O ATOM 0 H ASP A 38 57.851 -11.532 -10.244 1.00 70.50 H new ATOM 0 HA ASP A 38 60.457 -10.154 -10.570 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.668 -8.626 -10.137 1.00 64.12 H new ATOM 0 HB3 ASP A 38 57.971 -9.661 -8.907 1.00 64.12 H new ATOM 587 N GLU A 39 61.603 -11.454 -8.784 1.00 21.24 N ATOM 588 CA GLU A 39 62.286 -12.230 -7.743 1.00 73.35 C ATOM 589 C GLU A 39 61.922 -11.729 -6.344 1.00 61.05 C ATOM 590 O GLU A 39 61.924 -12.496 -5.379 1.00 14.23 O ATOM 591 CB GLU A 39 63.807 -12.171 -7.916 1.00 3.15 C ATOM 592 CG GLU A 39 64.352 -12.990 -9.074 1.00 2.32 C ATOM 593 CD GLU A 39 65.864 -12.906 -9.161 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.427 -11.878 -8.717 1.00 61.24 O ATOM 595 OE2 GLU A 39 66.504 -13.860 -9.661 1.00 42.02 O ATOM 0 H GLU A 39 62.225 -11.000 -9.453 1.00 21.24 H new ATOM 0 HA GLU A 39 61.952 -13.262 -7.849 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.102 -11.131 -8.055 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.276 -12.515 -6.994 1.00 3.15 H new ATOM 0 HG2 GLU A 39 64.052 -14.031 -8.956 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.914 -12.636 -10.007 1.00 2.32 H new ATOM 602 N ALA A 40 61.602 -10.442 -6.237 1.00 41.21 N ATOM 603 CA ALA A 40 61.268 -9.844 -4.948 1.00 41.44 C ATOM 604 C ALA A 40 59.831 -10.159 -4.546 1.00 73.14 C ATOM 605 O ALA A 40 59.517 -10.254 -3.363 1.00 63.31 O ATOM 606 CB ALA A 40 61.483 -8.345 -4.993 1.00 64.54 C ATOM 0 H ALA A 40 61.567 -9.795 -7.025 1.00 41.21 H new ATOM 0 HA ALA A 40 61.929 -10.276 -4.197 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.230 -7.912 -4.025 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.527 -8.134 -5.223 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.846 -7.909 -5.763 1.00 64.54 H new ATOM 612 N LEU A 41 58.965 -10.300 -5.538 1.00 35.01 N ATOM 613 CA LEU A 41 57.566 -10.628 -5.297 1.00 43.03 C ATOM 614 C LEU A 41 57.438 -12.119 -5.003 1.00 41.24 C ATOM 615 O LEU A 41 56.794 -12.523 -4.031 1.00 5.12 O ATOM 616 CB LEU A 41 56.724 -10.249 -6.531 1.00 54.42 C ATOM 617 CG LEU A 41 55.225 -10.000 -6.294 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.577 -9.475 -7.566 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.505 -11.261 -5.832 1.00 50.10 C ATOM 0 H LEU A 41 59.207 -10.192 -6.523 1.00 35.01 H new ATOM 0 HA LEU A 41 57.200 -10.065 -4.438 1.00 43.03 H new ATOM 0 HB2 LEU A 41 57.153 -9.349 -6.972 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.824 -11.045 -7.269 1.00 54.42 H new ATOM 0 HG LEU A 41 55.137 -9.257 -5.501 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.516 -9.302 -7.389 1.00 54.05 H new ATOM 0 HD12 LEU A 41 55.054 -8.539 -7.858 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.697 -10.207 -8.364 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.449 -11.041 -5.676 1.00 50.10 H new ATOM 0 HD22 LEU A 41 54.606 -12.036 -6.591 1.00 50.10 H new ATOM 0 HD23 LEU A 41 54.945 -11.609 -4.897 1.00 50.10 H new ATOM 631 N GLY A 42 58.071 -12.924 -5.845 1.00 60.35 N ATOM 632 CA GLY A 42 57.954 -14.360 -5.733 1.00 65.42 C ATOM 633 C GLY A 42 56.617 -14.843 -6.254 1.00 1.31 C ATOM 634 O GLY A 42 55.990 -14.174 -7.075 1.00 22.32 O ATOM 0 H GLY A 42 58.667 -12.603 -6.608 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.759 -14.838 -6.292 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.070 -14.657 -4.691 1.00 65.42 H new ATOM 638 N TRP A 43 56.180 -15.998 -5.783 1.00 34.01 N ATOM 639 CA TRP A 43 54.879 -16.531 -6.151 1.00 72.13 C ATOM 640 C TRP A 43 54.438 -17.554 -5.109 1.00 1.53 C ATOM 641 O TRP A 43 54.575 -18.765 -5.307 1.00 0.54 O ATOM 642 CB TRP A 43 54.912 -17.163 -7.549 1.00 22.21 C ATOM 643 CG TRP A 43 53.548 -17.415 -8.123 1.00 61.44 C ATOM 644 CD1 TRP A 43 52.929 -18.622 -8.273 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.636 -16.428 -8.620 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.686 -18.447 -8.833 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.482 -17.110 -9.056 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.677 -15.033 -8.739 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.387 -16.446 -9.600 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.588 -14.377 -9.279 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.455 -15.084 -9.702 1.00 72.01 C ATOM 0 H TRP A 43 56.710 -16.588 -5.141 1.00 34.01 H new ATOM 0 HA TRP A 43 54.161 -15.712 -6.180 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.466 -16.509 -8.222 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.457 -18.106 -7.500 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.353 -19.575 -7.993 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.023 -19.192 -9.048 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.546 -14.480 -8.414 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.513 -16.988 -9.930 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.610 -13.302 -9.377 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.618 -14.542 -10.117 1.00 72.01 H new ATOM 662 N PRO A 44 53.911 -17.070 -3.971 1.00 45.41 N ATOM 663 CA PRO A 44 53.535 -17.922 -2.842 1.00 41.22 C ATOM 664 C PRO A 44 52.394 -18.859 -3.200 1.00 43.31 C ATOM 665 O PRO A 44 52.178 -19.873 -2.539 1.00 52.04 O ATOM 666 CB PRO A 44 53.085 -16.943 -1.752 1.00 1.41 C ATOM 667 CG PRO A 44 53.510 -15.589 -2.214 1.00 43.31 C ATOM 668 CD PRO A 44 53.629 -15.653 -3.708 1.00 12.02 C ATOM 0 HA PRO A 44 54.364 -18.558 -2.531 1.00 41.22 H new ATOM 0 HB2 PRO A 44 52.005 -16.986 -1.611 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.542 -17.189 -0.794 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.782 -14.834 -1.917 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.462 -15.309 -1.763 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.711 -15.329 -4.198 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.429 -15.010 -4.074 1.00 12.02 H new ATOM 676 N GLU A 45 51.674 -18.502 -4.252 1.00 52.10 N ATOM 677 CA GLU A 45 50.581 -19.324 -4.757 1.00 33.11 C ATOM 678 C GLU A 45 51.098 -20.709 -5.159 1.00 32.45 C ATOM 679 O GLU A 45 50.414 -21.715 -4.968 1.00 53.21 O ATOM 680 CB GLU A 45 49.912 -18.649 -5.959 1.00 63.41 C ATOM 681 CG GLU A 45 49.632 -17.162 -5.767 1.00 44.43 C ATOM 682 CD GLU A 45 48.819 -16.860 -4.524 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.579 -17.000 -4.564 1.00 61.31 O ATOM 684 OE2 GLU A 45 49.420 -16.472 -3.503 1.00 63.33 O ATOM 0 H GLU A 45 51.827 -17.641 -4.778 1.00 52.10 H new ATOM 0 HA GLU A 45 49.843 -19.438 -3.963 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.549 -18.777 -6.834 1.00 63.41 H new ATOM 0 HB3 GLU A 45 48.973 -19.159 -6.171 1.00 63.41 H new ATOM 0 HG2 GLU A 45 50.579 -16.625 -5.712 1.00 44.43 H new ATOM 0 HG3 GLU A 45 49.101 -16.784 -6.641 1.00 44.43 H new ATOM 691 N ASP A 46 52.308 -20.754 -5.712 1.00 54.25 N ATOM 692 CA ASP A 46 52.938 -22.023 -6.076 1.00 30.40 C ATOM 693 C ASP A 46 53.946 -22.449 -5.011 1.00 61.32 C ATOM 694 O ASP A 46 54.264 -23.629 -4.873 1.00 73.23 O ATOM 695 CB ASP A 46 53.636 -21.918 -7.439 1.00 23.20 C ATOM 696 CG ASP A 46 54.377 -23.184 -7.817 1.00 70.52 C ATOM 697 OD1 ASP A 46 53.716 -24.191 -8.161 1.00 44.22 O ATOM 698 OD2 ASP A 46 55.621 -23.176 -7.782 1.00 44.11 O ATOM 0 H ASP A 46 52.871 -19.929 -5.918 1.00 54.25 H new ATOM 0 HA ASP A 46 52.153 -22.777 -6.143 1.00 30.40 H new ATOM 0 HB2 ASP A 46 52.894 -21.694 -8.206 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.337 -21.084 -7.420 1.00 23.20 H new ATOM 703 N GLY A 47 54.433 -21.480 -4.246 1.00 73.12 N ATOM 704 CA GLY A 47 55.390 -21.776 -3.194 1.00 12.11 C ATOM 705 C GLY A 47 56.673 -20.984 -3.334 1.00 64.11 C ATOM 706 O GLY A 47 57.521 -21.001 -2.442 1.00 22.42 O ATOM 0 H GLY A 47 54.183 -20.495 -4.334 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.938 -21.560 -2.226 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.622 -22.841 -3.208 1.00 12.11 H new ATOM 710 N ILE A 48 56.813 -20.278 -4.449 1.00 0.01 N ATOM 711 CA ILE A 48 58.005 -19.479 -4.704 1.00 25.24 C ATOM 712 C ILE A 48 58.114 -18.352 -3.683 1.00 62.01 C ATOM 713 O ILE A 48 57.270 -17.457 -3.645 1.00 62.43 O ATOM 714 CB ILE A 48 57.995 -18.882 -6.127 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.855 -19.988 -7.179 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.258 -18.072 -6.371 1.00 22.34 C ATOM 717 CD1 ILE A 48 59.006 -20.974 -7.191 1.00 43.03 C ATOM 0 H ILE A 48 56.115 -20.242 -5.192 1.00 0.01 H new ATOM 0 HA ILE A 48 58.867 -20.140 -4.615 1.00 25.24 H new ATOM 0 HB ILE A 48 57.135 -18.218 -6.214 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.927 -20.531 -7.000 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.772 -19.530 -8.165 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.236 -17.658 -7.379 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.315 -17.260 -5.646 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.130 -18.717 -6.263 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.834 -21.725 -7.962 1.00 43.03 H new ATOM 0 HD12 ILE A 48 59.936 -20.445 -7.401 1.00 43.03 H new ATOM 0 HD13 ILE A 48 59.078 -21.461 -6.219 1.00 43.03 H new ATOM 729 N ALA A 49 59.146 -18.409 -2.857 1.00 31.20 N ATOM 730 CA ALA A 49 59.316 -17.448 -1.778 1.00 5.11 C ATOM 731 C ALA A 49 59.797 -16.098 -2.297 1.00 32.55 C ATOM 732 O ALA A 49 60.579 -16.023 -3.246 1.00 44.13 O ATOM 733 CB ALA A 49 60.288 -17.991 -0.743 1.00 50.42 C ATOM 0 H ALA A 49 59.882 -19.113 -2.913 1.00 31.20 H new ATOM 0 HA ALA A 49 58.343 -17.295 -1.312 1.00 5.11 H new ATOM 0 HB1 ALA A 49 60.408 -17.264 0.060 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.900 -18.923 -0.333 1.00 50.42 H new ATOM 0 HB3 ALA A 49 61.254 -18.176 -1.213 1.00 50.42 H new ATOM 739 N ALA A 50 59.310 -15.037 -1.672 1.00 43.33 N ATOM 740 CA ALA A 50 59.756 -13.689 -1.986 1.00 31.42 C ATOM 741 C ALA A 50 61.232 -13.541 -1.647 1.00 65.35 C ATOM 742 O ALA A 50 61.625 -13.625 -0.481 1.00 33.24 O ATOM 743 CB ALA A 50 58.925 -12.666 -1.223 1.00 12.13 C ATOM 0 H ALA A 50 58.601 -15.085 -0.940 1.00 43.33 H new ATOM 0 HA ALA A 50 59.622 -13.510 -3.053 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.270 -11.661 -1.468 1.00 12.13 H new ATOM 0 HB2 ALA A 50 57.876 -12.768 -1.503 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.033 -12.836 -0.152 1.00 12.13 H new ATOM 749 N GLY A 51 62.046 -13.331 -2.670 1.00 23.11 N ATOM 750 CA GLY A 51 63.481 -13.285 -2.481 1.00 51.21 C ATOM 751 C GLY A 51 64.170 -14.509 -3.052 1.00 12.22 C ATOM 752 O GLY A 51 65.389 -14.652 -2.946 1.00 44.15 O ATOM 0 H GLY A 51 61.737 -13.191 -3.632 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.881 -12.389 -2.957 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.704 -13.207 -1.417 1.00 51.21 H new ATOM 756 N THR A 52 63.390 -15.403 -3.645 1.00 34.23 N ATOM 757 CA THR A 52 63.947 -16.548 -4.345 1.00 72.11 C ATOM 758 C THR A 52 64.474 -16.131 -5.716 1.00 32.45 C ATOM 759 O THR A 52 63.756 -15.527 -6.514 1.00 11.25 O ATOM 760 CB THR A 52 62.903 -17.674 -4.504 1.00 4.53 C ATOM 761 OG1 THR A 52 62.566 -18.209 -3.215 1.00 61.21 O ATOM 762 CG2 THR A 52 63.423 -18.791 -5.396 1.00 63.31 C ATOM 0 H THR A 52 62.371 -15.356 -3.654 1.00 34.23 H new ATOM 0 HA THR A 52 64.772 -16.931 -3.745 1.00 72.11 H new ATOM 0 HB THR A 52 62.017 -17.247 -4.973 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.902 -18.922 -3.320 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.663 -19.567 -5.487 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.653 -18.391 -6.383 1.00 63.31 H new ATOM 0 HG23 THR A 52 64.326 -19.216 -4.958 1.00 63.31 H new ATOM 770 N ARG A 53 65.739 -16.438 -5.970 1.00 11.11 N ATOM 771 CA ARG A 53 66.364 -16.108 -7.238 1.00 1.42 C ATOM 772 C ARG A 53 65.959 -17.112 -8.310 1.00 24.11 C ATOM 773 O ARG A 53 65.550 -18.232 -8.000 1.00 33.21 O ATOM 774 CB ARG A 53 67.884 -16.092 -7.098 1.00 42.33 C ATOM 775 CG ARG A 53 68.404 -15.078 -6.095 1.00 70.11 C ATOM 776 CD ARG A 53 68.054 -13.653 -6.491 1.00 62.02 C ATOM 777 NE ARG A 53 68.764 -12.676 -5.668 1.00 73.44 N ATOM 778 CZ ARG A 53 69.022 -11.426 -6.045 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.477 -10.930 -7.154 1.00 5.03 N ATOM 780 NH2 ARG A 53 69.782 -10.651 -5.286 1.00 20.33 N ATOM 0 H ARG A 53 66.352 -16.917 -5.310 1.00 11.11 H new ATOM 0 HA ARG A 53 66.025 -15.115 -7.534 1.00 1.42 H new ATOM 0 HB2 ARG A 53 68.221 -17.085 -6.802 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.326 -15.883 -8.072 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.986 -15.294 -5.112 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.486 -15.175 -6.010 1.00 70.11 H new ATOM 0 HD2 ARG A 53 68.303 -13.495 -7.540 1.00 62.02 H new ATOM 0 HD3 ARG A 53 66.979 -13.501 -6.392 1.00 62.02 H new ATOM 0 HE ARG A 53 69.082 -12.971 -4.745 1.00 73.44 H new ATOM 0 HH11 ARG A 53 67.857 -11.509 -7.721 1.00 5.03 H new ATOM 0 HH12 ARG A 53 68.679 -9.971 -7.437 1.00 5.03 H new ATOM 0 HH21 ARG A 53 70.169 -11.012 -4.414 1.00 20.33 H new ATOM 0 HH22 ARG A 53 69.981 -9.693 -5.573 1.00 20.33 H new ATOM 794 N TRP A 54 66.098 -16.708 -9.561 1.00 75.02 N ATOM 795 CA TRP A 54 65.724 -17.539 -10.701 1.00 4.51 C ATOM 796 C TRP A 54 66.464 -18.882 -10.685 1.00 51.50 C ATOM 797 O TRP A 54 65.881 -19.926 -10.984 1.00 53.22 O ATOM 798 CB TRP A 54 66.031 -16.783 -11.993 1.00 14.02 C ATOM 799 CG TRP A 54 65.374 -17.346 -13.217 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.995 -17.828 -14.333 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.968 -17.467 -13.452 1.00 24.15 C ATOM 802 NE1 TRP A 54 65.058 -18.234 -15.251 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.806 -18.027 -14.734 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.828 -17.160 -12.704 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.553 -18.281 -15.280 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.584 -17.414 -13.248 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.454 -17.971 -14.525 1.00 44.10 C ATOM 0 H TRP A 54 66.473 -15.795 -9.819 1.00 75.02 H new ATOM 0 HA TRP A 54 64.657 -17.753 -10.640 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.719 -15.745 -11.874 1.00 14.02 H new ATOM 0 HB3 TRP A 54 67.110 -16.776 -12.147 1.00 14.02 H new ATOM 0 HD1 TRP A 54 67.065 -17.882 -14.473 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.261 -18.627 -16.170 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.918 -16.731 -11.717 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.450 -18.708 -16.266 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.697 -17.179 -12.678 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.468 -18.160 -14.923 1.00 44.10 H new ATOM 818 N ASP A 55 67.739 -18.850 -10.314 1.00 34.41 N ATOM 819 CA ASP A 55 68.569 -20.057 -10.288 1.00 13.53 C ATOM 820 C ASP A 55 68.291 -20.920 -9.060 1.00 43.20 C ATOM 821 O ASP A 55 68.839 -22.012 -8.929 1.00 13.14 O ATOM 822 CB ASP A 55 70.055 -19.704 -10.339 1.00 34.21 C ATOM 823 CG ASP A 55 70.615 -19.747 -11.746 1.00 1.12 C ATOM 824 OD1 ASP A 55 70.390 -18.787 -12.511 1.00 31.22 O ATOM 825 OD2 ASP A 55 71.289 -20.740 -12.096 1.00 31.21 O ATOM 0 H ASP A 55 68.225 -18.001 -10.026 1.00 34.41 H new ATOM 0 HA ASP A 55 68.306 -20.633 -11.175 1.00 13.53 H new ATOM 0 HB2 ASP A 55 70.203 -18.707 -9.923 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.612 -20.398 -9.709 1.00 34.21 H new ATOM 830 N ASP A 56 67.458 -20.429 -8.155 1.00 74.00 N ATOM 831 CA ASP A 56 67.069 -21.210 -6.983 1.00 13.50 C ATOM 832 C ASP A 56 65.805 -21.999 -7.299 1.00 35.01 C ATOM 833 O ASP A 56 65.420 -22.922 -6.580 1.00 73.34 O ATOM 834 CB ASP A 56 66.848 -20.291 -5.774 1.00 10.43 C ATOM 835 CG ASP A 56 66.585 -21.052 -4.484 1.00 24.32 C ATOM 836 OD1 ASP A 56 67.554 -21.549 -3.877 1.00 73.21 O ATOM 837 OD2 ASP A 56 65.412 -21.140 -4.062 1.00 45.42 O ATOM 0 H ASP A 56 67.039 -19.500 -8.205 1.00 74.00 H new ATOM 0 HA ASP A 56 67.869 -21.906 -6.732 1.00 13.50 H new ATOM 0 HB2 ASP A 56 67.725 -19.657 -5.642 1.00 10.43 H new ATOM 0 HB3 ASP A 56 66.005 -19.630 -5.977 1.00 10.43 H new ATOM 842 N ILE A 57 65.172 -21.628 -8.403 1.00 54.25 N ATOM 843 CA ILE A 57 63.967 -22.293 -8.871 1.00 24.31 C ATOM 844 C ILE A 57 64.335 -23.380 -9.879 1.00 43.24 C ATOM 845 O ILE A 57 65.104 -23.124 -10.807 1.00 14.33 O ATOM 846 CB ILE A 57 63.003 -21.285 -9.540 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.696 -20.123 -8.593 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.716 -21.973 -9.969 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.872 -19.025 -9.229 1.00 14.05 C ATOM 0 H ILE A 57 65.480 -20.859 -8.998 1.00 54.25 H new ATOM 0 HA ILE A 57 63.468 -22.737 -8.010 1.00 24.31 H new ATOM 0 HB ILE A 57 63.492 -20.887 -10.429 1.00 73.12 H new ATOM 0 HG12 ILE A 57 62.165 -20.506 -7.722 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.634 -19.700 -8.234 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.053 -21.245 -10.437 1.00 13.22 H new ATOM 0 HG22 ILE A 57 61.947 -22.765 -10.682 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.225 -22.403 -9.096 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.693 -18.235 -8.499 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.410 -18.615 -10.083 1.00 14.05 H new ATOM 0 HD13 ILE A 57 60.918 -19.433 -9.563 1.00 14.05 H new ATOM 861 N PRO A 58 63.806 -24.607 -9.707 1.00 63.44 N ATOM 862 CA PRO A 58 64.068 -25.721 -10.627 1.00 3.44 C ATOM 863 C PRO A 58 63.693 -25.371 -12.066 1.00 51.00 C ATOM 864 O PRO A 58 62.649 -24.768 -12.310 1.00 45.01 O ATOM 865 CB PRO A 58 63.176 -26.855 -10.100 1.00 24.00 C ATOM 866 CG PRO A 58 62.207 -26.202 -9.173 1.00 73.11 C ATOM 867 CD PRO A 58 62.917 -25.007 -8.609 1.00 50.42 C ATOM 0 HA PRO A 58 65.125 -25.984 -10.656 1.00 3.44 H new ATOM 0 HB2 PRO A 58 62.659 -27.359 -10.916 1.00 24.00 H new ATOM 0 HB3 PRO A 58 63.767 -27.610 -9.582 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.301 -25.904 -9.701 1.00 73.11 H new ATOM 0 HG3 PRO A 58 61.904 -26.886 -8.380 1.00 73.11 H new ATOM 0 HD2 PRO A 58 62.221 -24.212 -8.342 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.476 -25.257 -7.707 1.00 50.42 H new ATOM 875 N ASP A 59 64.536 -25.768 -13.012 1.00 25.01 N ATOM 876 CA ASP A 59 64.363 -25.392 -14.421 1.00 41.44 C ATOM 877 C ASP A 59 63.110 -26.013 -15.031 1.00 34.41 C ATOM 878 O ASP A 59 62.679 -25.617 -16.114 1.00 72.22 O ATOM 879 CB ASP A 59 65.592 -25.787 -15.245 1.00 1.55 C ATOM 880 CG ASP A 59 65.762 -27.286 -15.375 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.115 -27.937 -14.367 1.00 11.32 O ATOM 882 OD2 ASP A 59 65.558 -27.821 -16.482 1.00 4.21 O ATOM 0 H ASP A 59 65.352 -26.353 -12.833 1.00 25.01 H new ATOM 0 HA ASP A 59 64.246 -24.309 -14.446 1.00 41.44 H new ATOM 0 HB2 ASP A 59 65.512 -25.349 -16.240 1.00 1.55 H new ATOM 0 HB3 ASP A 59 66.484 -25.365 -14.782 1.00 1.55 H new ATOM 887 N ASP A 60 62.524 -26.975 -14.332 1.00 32.43 N ATOM 888 CA ASP A 60 61.303 -27.622 -14.801 1.00 54.13 C ATOM 889 C ASP A 60 60.070 -26.797 -14.434 1.00 24.24 C ATOM 890 O ASP A 60 59.003 -26.973 -15.025 1.00 12.35 O ATOM 891 CB ASP A 60 61.190 -29.031 -14.213 1.00 23.23 C ATOM 892 CG ASP A 60 59.903 -29.734 -14.614 1.00 23.22 C ATOM 893 OD1 ASP A 60 59.791 -30.168 -15.779 1.00 70.35 O ATOM 894 OD2 ASP A 60 58.994 -29.849 -13.763 1.00 42.45 O ATOM 0 H ASP A 60 62.872 -27.325 -13.440 1.00 32.43 H new ATOM 0 HA ASP A 60 61.353 -27.694 -15.887 1.00 54.13 H new ATOM 0 HB2 ASP A 60 62.042 -29.627 -14.542 1.00 23.23 H new ATOM 0 HB3 ASP A 60 61.243 -28.972 -13.126 1.00 23.23 H new ATOM 899 N TRP A 61 60.229 -25.886 -13.473 1.00 5.24 N ATOM 900 CA TRP A 61 59.120 -25.063 -12.989 1.00 42.43 C ATOM 901 C TRP A 61 58.428 -24.351 -14.147 1.00 33.21 C ATOM 902 O TRP A 61 59.070 -23.674 -14.954 1.00 22.24 O ATOM 903 CB TRP A 61 59.626 -24.047 -11.958 1.00 54.42 C ATOM 904 CG TRP A 61 58.563 -23.131 -11.416 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.627 -23.421 -10.462 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.336 -21.766 -11.793 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.842 -22.324 -10.222 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.253 -21.295 -11.027 1.00 14.21 C ATOM 909 CE3 TRP A 61 58.944 -20.894 -12.702 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.765 -19.996 -11.143 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.460 -19.607 -12.819 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.382 -19.169 -12.041 1.00 25.01 C ATOM 0 H TRP A 61 61.120 -25.699 -13.013 1.00 5.24 H new ATOM 0 HA TRP A 61 58.391 -25.715 -12.509 1.00 42.43 H new ATOM 0 HB2 TRP A 61 60.082 -24.586 -11.128 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.410 -23.444 -12.415 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.522 -24.376 -9.969 1.00 30.52 H new ATOM 0 HE1 TRP A 61 56.075 -22.281 -9.551 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.779 -21.223 -13.303 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.932 -19.655 -10.547 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 58.920 -18.928 -13.521 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.029 -18.154 -12.152 1.00 25.01 H new ATOM 923 N SER A 62 57.121 -24.525 -14.225 1.00 54.20 N ATOM 924 CA SER A 62 56.339 -23.967 -15.306 1.00 3.30 C ATOM 925 C SER A 62 55.594 -22.714 -14.859 1.00 13.23 C ATOM 926 O SER A 62 55.203 -22.587 -13.697 1.00 63.43 O ATOM 927 CB SER A 62 55.361 -25.022 -15.822 1.00 63.43 C ATOM 928 OG SER A 62 54.898 -25.846 -14.759 1.00 64.32 O ATOM 0 H SER A 62 56.577 -25.054 -13.544 1.00 54.20 H new ATOM 0 HA SER A 62 57.013 -23.675 -16.112 1.00 3.30 H new ATOM 0 HB2 SER A 62 54.514 -24.534 -16.305 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.848 -25.637 -16.579 1.00 63.43 H new ATOM 0 HG SER A 62 54.272 -26.513 -15.111 1.00 64.32 H new ATOM 934 N CYS A 63 55.432 -21.788 -15.790 1.00 24.15 N ATOM 935 CA CYS A 63 54.681 -20.566 -15.560 1.00 63.43 C ATOM 936 C CYS A 63 53.249 -20.887 -15.146 1.00 24.51 C ATOM 937 O CYS A 63 52.510 -21.520 -15.896 1.00 44.14 O ATOM 938 CB CYS A 63 54.681 -19.714 -16.832 1.00 63.12 C ATOM 939 SG CYS A 63 53.700 -18.200 -16.722 1.00 13.20 S ATOM 0 H CYS A 63 55.820 -21.864 -16.730 1.00 24.15 H new ATOM 0 HA CYS A 63 55.156 -20.009 -14.753 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.710 -19.448 -17.076 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.303 -20.317 -17.658 1.00 63.12 H new ATOM 0 HG CYS A 63 54.283 -17.363 -15.916 1.00 13.20 H new ATOM 944 N PRO A 64 52.840 -20.435 -13.952 1.00 12.23 N ATOM 945 CA PRO A 64 51.504 -20.710 -13.405 1.00 52.51 C ATOM 946 C PRO A 64 50.378 -20.098 -14.240 1.00 52.22 C ATOM 947 O PRO A 64 49.197 -20.380 -14.018 1.00 21.33 O ATOM 948 CB PRO A 64 51.549 -20.066 -12.015 1.00 2.43 C ATOM 949 CG PRO A 64 52.639 -19.055 -12.091 1.00 63.34 C ATOM 950 CD PRO A 64 53.658 -19.627 -13.029 1.00 75.23 C ATOM 0 HA PRO A 64 51.289 -21.779 -13.393 1.00 52.51 H new ATOM 0 HB2 PRO A 64 50.596 -19.600 -11.765 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.753 -20.808 -11.243 1.00 2.43 H new ATOM 0 HG2 PRO A 64 52.262 -18.100 -12.457 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.072 -18.871 -11.108 1.00 63.34 H new ATOM 0 HD2 PRO A 64 54.207 -18.846 -13.554 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.394 -20.235 -12.504 1.00 75.23 H new ATOM 958 N ASP A 65 50.748 -19.264 -15.201 1.00 62.43 N ATOM 959 CA ASP A 65 49.774 -18.606 -16.060 1.00 4.14 C ATOM 960 C ASP A 65 49.445 -19.459 -17.284 1.00 73.14 C ATOM 961 O ASP A 65 48.283 -19.583 -17.669 1.00 75.43 O ATOM 962 CB ASP A 65 50.301 -17.241 -16.507 1.00 75.11 C ATOM 963 CG ASP A 65 49.394 -16.562 -17.515 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.391 -15.945 -17.101 1.00 12.44 O ATOM 965 OD2 ASP A 65 49.689 -16.635 -18.726 1.00 62.34 O ATOM 0 H ASP A 65 51.719 -19.026 -15.406 1.00 62.43 H new ATOM 0 HA ASP A 65 48.859 -18.471 -15.483 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.414 -16.597 -15.635 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.293 -17.364 -16.943 1.00 75.11 H new ATOM 970 N CYS A 66 50.463 -20.068 -17.875 1.00 24.23 N ATOM 971 CA CYS A 66 50.281 -20.794 -19.127 1.00 44.35 C ATOM 972 C CYS A 66 50.814 -22.224 -19.050 1.00 61.50 C ATOM 973 O CYS A 66 50.156 -23.162 -19.500 1.00 33.10 O ATOM 974 CB CYS A 66 50.964 -20.035 -20.265 1.00 11.53 C ATOM 975 SG CYS A 66 52.677 -19.573 -19.918 1.00 2.42 S ATOM 0 H CYS A 66 51.417 -20.075 -17.513 1.00 24.23 H new ATOM 0 HA CYS A 66 49.210 -20.862 -19.318 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.940 -20.650 -21.164 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.392 -19.133 -20.481 1.00 11.53 H new ATOM 0 HG CYS A 66 52.765 -19.110 -18.707 1.00 2.42 H new ATOM 980 N GLY A 67 52.000 -22.388 -18.480 1.00 11.35 N ATOM 981 CA GLY A 67 52.619 -23.699 -18.415 1.00 2.21 C ATOM 982 C GLY A 67 53.980 -23.721 -19.077 1.00 45.15 C ATOM 983 O GLY A 67 54.668 -24.743 -19.068 1.00 12.15 O ATOM 0 H GLY A 67 52.546 -21.636 -18.060 1.00 11.35 H new ATOM 0 HA2 GLY A 67 52.719 -24.001 -17.372 1.00 2.21 H new ATOM 0 HA3 GLY A 67 51.970 -24.430 -18.898 1.00 2.21 H new ATOM 987 N ALA A 68 54.366 -22.589 -19.660 1.00 3.21 N ATOM 988 CA ALA A 68 55.680 -22.448 -20.280 1.00 51.33 C ATOM 989 C ALA A 68 56.782 -22.597 -19.238 1.00 24.02 C ATOM 990 O ALA A 68 56.598 -22.225 -18.083 1.00 24.41 O ATOM 991 CB ALA A 68 55.789 -21.104 -20.976 1.00 22.41 C ATOM 0 H ALA A 68 53.784 -21.753 -19.716 1.00 3.21 H new ATOM 0 HA ALA A 68 55.800 -23.237 -21.022 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.773 -21.011 -21.435 1.00 22.41 H new ATOM 0 HB2 ALA A 68 55.021 -21.030 -21.746 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.651 -20.305 -20.248 1.00 22.41 H new ATOM 997 N ALA A 69 57.923 -23.124 -19.646 1.00 63.43 N ATOM 998 CA ALA A 69 59.006 -23.406 -18.712 1.00 14.25 C ATOM 999 C ALA A 69 59.853 -22.166 -18.458 1.00 45.14 C ATOM 1000 O ALA A 69 59.613 -21.115 -19.049 1.00 64.45 O ATOM 1001 CB ALA A 69 59.867 -24.542 -19.242 1.00 43.25 C ATOM 0 H ALA A 69 58.126 -23.366 -20.616 1.00 63.43 H new ATOM 0 HA ALA A 69 58.567 -23.707 -17.761 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.674 -24.746 -18.538 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.256 -25.436 -19.362 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.290 -24.259 -20.206 1.00 43.25 H new ATOM 1007 N LYS A 70 60.850 -22.298 -17.584 1.00 44.04 N ATOM 1008 CA LYS A 70 61.757 -21.196 -17.264 1.00 2.40 C ATOM 1009 C LYS A 70 62.439 -20.652 -18.516 1.00 33.52 C ATOM 1010 O LYS A 70 62.659 -19.445 -18.645 1.00 53.10 O ATOM 1011 CB LYS A 70 62.824 -21.649 -16.261 1.00 2.20 C ATOM 1012 CG LYS A 70 62.310 -21.823 -14.840 1.00 4.42 C ATOM 1013 CD LYS A 70 63.420 -22.279 -13.903 1.00 65.43 C ATOM 1014 CE LYS A 70 64.595 -21.310 -13.891 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.747 -21.823 -13.101 1.00 61.24 N ATOM 0 H LYS A 70 61.051 -23.163 -17.082 1.00 44.04 H new ATOM 0 HA LYS A 70 61.157 -20.401 -16.822 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.248 -22.594 -16.600 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.634 -20.920 -16.256 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.894 -20.881 -14.483 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.500 -22.553 -14.831 1.00 4.42 H new ATOM 0 HD2 LYS A 70 63.023 -22.379 -12.893 1.00 65.43 H new ATOM 0 HD3 LYS A 70 63.768 -23.266 -14.208 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.916 -21.120 -14.915 1.00 20.30 H new ATOM 0 HE3 LYS A 70 64.271 -20.355 -13.477 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.128 -21.059 -12.506 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.431 -22.608 -12.496 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 66.488 -22.161 -13.747 1.00 61.24 H new ATOM 1029 N SER A 71 62.761 -21.547 -19.441 1.00 24.44 N ATOM 1030 CA SER A 71 63.448 -21.171 -20.669 1.00 74.02 C ATOM 1031 C SER A 71 62.561 -20.275 -21.540 1.00 74.23 C ATOM 1032 O SER A 71 63.045 -19.608 -22.455 1.00 30.43 O ATOM 1033 CB SER A 71 63.865 -22.427 -21.441 1.00 35.23 C ATOM 1034 OG SER A 71 64.874 -22.132 -22.393 1.00 35.24 O ATOM 0 H SER A 71 62.556 -22.543 -19.363 1.00 24.44 H new ATOM 0 HA SER A 71 64.341 -20.605 -20.406 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.229 -23.182 -20.744 1.00 35.23 H new ATOM 0 HB3 SER A 71 62.997 -22.851 -21.946 1.00 35.23 H new ATOM 0 HG SER A 71 64.717 -21.242 -22.771 1.00 35.24 H new ATOM 1040 N ASP A 72 61.264 -20.245 -21.241 1.00 22.41 N ATOM 1041 CA ASP A 72 60.323 -19.416 -21.987 1.00 53.55 C ATOM 1042 C ASP A 72 60.186 -18.035 -21.345 1.00 72.53 C ATOM 1043 O ASP A 72 59.303 -17.256 -21.708 1.00 51.33 O ATOM 1044 CB ASP A 72 58.945 -20.084 -22.069 1.00 31.01 C ATOM 1045 CG ASP A 72 58.936 -21.327 -22.941 1.00 15.41 C ATOM 1046 OD1 ASP A 72 58.918 -21.187 -24.179 1.00 20.11 O ATOM 1047 OD2 ASP A 72 58.925 -22.453 -22.390 1.00 14.24 O ATOM 0 H ASP A 72 60.842 -20.786 -20.487 1.00 22.41 H new ATOM 0 HA ASP A 72 60.718 -19.300 -22.996 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.617 -20.350 -21.064 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.223 -19.367 -22.461 1.00 31.01 H new ATOM 1052 N PHE A 73 61.048 -17.743 -20.381 1.00 54.42 N ATOM 1053 CA PHE A 73 61.086 -16.422 -19.764 1.00 32.03 C ATOM 1054 C PHE A 73 62.288 -15.631 -20.274 1.00 41.43 C ATOM 1055 O PHE A 73 63.313 -16.214 -20.640 1.00 33.41 O ATOM 1056 CB PHE A 73 61.157 -16.536 -18.237 1.00 12.00 C ATOM 1057 CG PHE A 73 59.879 -16.988 -17.586 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.511 -18.323 -17.590 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.050 -16.072 -16.960 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.340 -18.736 -16.984 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.879 -16.477 -16.349 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.522 -17.812 -16.362 1.00 32.20 C ATOM 0 H PHE A 73 61.731 -18.402 -20.008 1.00 54.42 H new ATOM 0 HA PHE A 73 60.170 -15.898 -20.035 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.951 -17.235 -17.974 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.437 -15.566 -17.825 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.147 -19.050 -18.073 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.323 -15.027 -16.949 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.064 -19.780 -16.996 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.244 -15.752 -15.862 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.606 -18.132 -15.887 1.00 32.20 H new ATOM 1072 N GLU A 74 62.154 -14.311 -20.306 1.00 11.30 N ATOM 1073 CA GLU A 74 63.256 -13.437 -20.692 1.00 71.52 C ATOM 1074 C GLU A 74 63.712 -12.612 -19.491 1.00 63.42 C ATOM 1075 O GLU A 74 62.907 -12.304 -18.600 1.00 24.10 O ATOM 1076 CB GLU A 74 62.848 -12.506 -21.840 1.00 55.11 C ATOM 1077 CG GLU A 74 61.788 -11.484 -21.459 1.00 15.31 C ATOM 1078 CD GLU A 74 61.586 -10.432 -22.528 1.00 10.03 C ATOM 1079 OE1 GLU A 74 62.516 -9.627 -22.759 1.00 22.12 O ATOM 1080 OE2 GLU A 74 60.502 -10.403 -23.144 1.00 33.13 O ATOM 0 H GLU A 74 61.291 -13.821 -20.069 1.00 11.30 H new ATOM 0 HA GLU A 74 64.080 -14.062 -21.037 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.732 -11.980 -22.200 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.476 -13.109 -22.669 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.844 -11.996 -21.275 1.00 15.31 H new ATOM 0 HG3 GLU A 74 62.075 -10.999 -20.526 1.00 15.31 H new ATOM 1087 N MET A 75 64.991 -12.254 -19.477 1.00 1.12 N ATOM 1088 CA MET A 75 65.589 -11.567 -18.341 1.00 0.12 C ATOM 1089 C MET A 75 65.516 -10.053 -18.507 1.00 41.40 C ATOM 1090 O MET A 75 66.157 -9.478 -19.388 1.00 64.03 O ATOM 1091 CB MET A 75 67.046 -12.000 -18.182 1.00 65.23 C ATOM 1092 CG MET A 75 67.712 -11.474 -16.921 1.00 22.24 C ATOM 1093 SD MET A 75 69.452 -11.938 -16.814 1.00 62.41 S ATOM 1094 CE MET A 75 69.351 -13.701 -17.124 1.00 41.21 C ATOM 0 H MET A 75 65.637 -12.430 -20.246 1.00 1.12 H new ATOM 0 HA MET A 75 65.026 -11.838 -17.448 1.00 0.12 H new ATOM 0 HB2 MET A 75 67.093 -13.089 -18.178 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.612 -11.660 -19.049 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.627 -10.388 -16.895 1.00 22.24 H new ATOM 0 HG3 MET A 75 67.183 -11.856 -16.048 1.00 22.24 H new ATOM 0 HE1 MET A 75 70.267 -14.183 -16.784 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.500 -14.117 -16.584 1.00 41.21 H new ATOM 0 HE3 MET A 75 69.224 -13.876 -18.192 1.00 41.21 H new ATOM 1104 N VAL A 76 64.728 -9.415 -17.658 1.00 52.24 N ATOM 1105 CA VAL A 76 64.585 -7.967 -17.670 1.00 50.44 C ATOM 1106 C VAL A 76 64.938 -7.407 -16.292 1.00 33.40 C ATOM 1107 O VAL A 76 64.797 -8.096 -15.282 1.00 12.34 O ATOM 1108 CB VAL A 76 63.137 -7.550 -18.039 1.00 64.25 C ATOM 1109 CG1 VAL A 76 63.031 -6.044 -18.253 1.00 52.34 C ATOM 1110 CG2 VAL A 76 62.645 -8.305 -19.268 1.00 70.33 C ATOM 0 H VAL A 76 64.171 -9.883 -16.943 1.00 52.24 H new ATOM 0 HA VAL A 76 65.262 -7.564 -18.423 1.00 50.44 H new ATOM 0 HB VAL A 76 62.496 -7.815 -17.198 1.00 64.25 H new ATOM 0 HG11 VAL A 76 62.004 -5.784 -18.510 1.00 52.34 H new ATOM 0 HG12 VAL A 76 63.318 -5.525 -17.338 1.00 52.34 H new ATOM 0 HG13 VAL A 76 63.695 -5.744 -19.064 1.00 52.34 H new ATOM 0 HG21 VAL A 76 61.628 -7.993 -19.504 1.00 70.33 H new ATOM 0 HG22 VAL A 76 63.297 -8.087 -20.114 1.00 70.33 H new ATOM 0 HG23 VAL A 76 62.658 -9.376 -19.067 1.00 70.33 H new