USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=12 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 -129:sc= 0.112 USER MOD Set 1.2: A 33 CYS SG : rot -127:sc= 1.39 USER MOD Set 1.3: A 63 CYS SG : rot 71:sc= -1.23! USER MOD Set 1.4: A 66 CYS SG : rot -39:sc= 1.4 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.157 F(o=-1.6!,f=-0.16) USER MOD Single : A 37 TYR OH : rot -161:sc= -0.499 USER MOD Single : A 52 THR OG1 : rot 88:sc= 0.292 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -157:sc= 2.3 (180deg=2.02) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 175:sc= -1.28 (180deg=-1.36) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 66.633 -7.386 -7.797 1.00 42.41 N ATOM 351 CA TYR A 25 65.857 -8.504 -8.292 1.00 12.14 C ATOM 352 C TYR A 25 65.539 -8.329 -9.763 1.00 32.30 C ATOM 353 O TYR A 25 65.403 -7.206 -10.249 1.00 32.03 O ATOM 354 CB TYR A 25 64.567 -8.615 -7.489 1.00 42.40 C ATOM 355 CG TYR A 25 64.803 -8.824 -6.014 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.083 -10.086 -5.507 1.00 12.22 C ATOM 357 CD2 TYR A 25 64.738 -7.759 -5.124 1.00 5.11 C ATOM 358 CE1 TYR A 25 65.292 -10.281 -4.157 1.00 74.12 C ATOM 359 CE2 TYR A 25 64.948 -7.946 -3.774 1.00 35.34 C ATOM 360 CZ TYR A 25 65.223 -9.205 -3.296 1.00 72.10 C ATOM 361 OH TYR A 25 65.425 -9.392 -1.952 1.00 54.31 O ATOM 0 HA TYR A 25 66.441 -9.417 -8.178 1.00 12.14 H new ATOM 0 HB2 TYR A 25 63.978 -7.709 -7.632 1.00 42.40 H new ATOM 0 HB3 TYR A 25 63.975 -9.444 -7.877 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.138 -10.929 -6.180 1.00 12.22 H new ATOM 0 HD2 TYR A 25 64.519 -6.769 -5.496 1.00 5.11 H new ATOM 0 HE1 TYR A 25 65.508 -11.269 -3.777 1.00 74.12 H new ATOM 0 HE2 TYR A 25 64.897 -7.107 -3.096 1.00 35.34 H new ATOM 0 HH TYR A 25 65.343 -8.534 -1.486 1.00 54.31 H new ATOM 371 N LYS A 26 65.435 -9.437 -10.474 1.00 31.42 N ATOM 372 CA LYS A 26 65.140 -9.393 -11.891 1.00 10.43 C ATOM 373 C LYS A 26 63.661 -9.691 -12.134 1.00 64.22 C ATOM 374 O LYS A 26 63.007 -10.376 -11.336 1.00 33.23 O ATOM 375 CB LYS A 26 66.013 -10.397 -12.660 1.00 44.31 C ATOM 376 CG LYS A 26 67.468 -10.453 -12.195 1.00 40.14 C ATOM 377 CD LYS A 26 68.156 -9.099 -12.272 1.00 14.02 C ATOM 378 CE LYS A 26 69.566 -9.167 -11.708 1.00 14.41 C ATOM 379 NZ LYS A 26 70.244 -7.842 -11.733 1.00 2.34 N ATOM 0 H LYS A 26 65.551 -10.376 -10.093 1.00 31.42 H new ATOM 0 HA LYS A 26 65.364 -8.390 -12.255 1.00 10.43 H new ATOM 0 HB2 LYS A 26 65.575 -11.390 -12.563 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.992 -10.141 -13.719 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.504 -10.818 -11.168 1.00 40.14 H new ATOM 0 HG3 LYS A 26 68.015 -11.170 -12.807 1.00 40.14 H new ATOM 0 HD2 LYS A 26 68.192 -8.765 -13.309 1.00 14.02 H new ATOM 0 HD3 LYS A 26 67.575 -8.361 -11.719 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.528 -9.535 -10.683 1.00 14.41 H new ATOM 0 HE3 LYS A 26 70.152 -9.884 -12.283 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 71.202 -7.935 -11.340 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 70.304 -7.501 -12.714 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.700 -7.163 -11.163 1.00 2.34 H new ATOM 393 N LEU A 27 63.133 -9.137 -13.216 1.00 10.35 N ATOM 394 CA LEU A 27 61.786 -9.443 -13.669 1.00 63.42 C ATOM 395 C LEU A 27 61.862 -10.400 -14.844 1.00 12.52 C ATOM 396 O LEU A 27 62.318 -10.034 -15.927 1.00 23.11 O ATOM 397 CB LEU A 27 61.048 -8.165 -14.092 1.00 14.35 C ATOM 398 CG LEU A 27 60.081 -7.577 -13.066 1.00 74.43 C ATOM 399 CD1 LEU A 27 58.879 -8.488 -12.904 1.00 23.04 C ATOM 400 CD2 LEU A 27 60.774 -7.360 -11.728 1.00 64.32 C ATOM 0 H LEU A 27 63.626 -8.464 -13.803 1.00 10.35 H new ATOM 0 HA LEU A 27 61.235 -9.901 -12.848 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.790 -7.406 -14.338 1.00 14.35 H new ATOM 0 HB3 LEU A 27 60.492 -8.376 -15.006 1.00 14.35 H new ATOM 0 HG LEU A 27 59.740 -6.607 -13.427 1.00 74.43 H new ATOM 0 HD11 LEU A 27 58.195 -8.061 -12.171 1.00 23.04 H new ATOM 0 HD12 LEU A 27 58.368 -8.589 -13.861 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.209 -9.469 -12.564 1.00 23.04 H new ATOM 0 HD21 LEU A 27 60.065 -6.941 -11.015 1.00 64.32 H new ATOM 0 HD22 LEU A 27 61.146 -8.313 -11.352 1.00 64.32 H new ATOM 0 HD23 LEU A 27 61.608 -6.671 -11.858 1.00 64.32 H new ATOM 412 N PHE A 28 61.458 -11.632 -14.628 1.00 1.00 N ATOM 413 CA PHE A 28 61.466 -12.614 -15.693 1.00 50.25 C ATOM 414 C PHE A 28 60.122 -12.630 -16.388 1.00 32.34 C ATOM 415 O PHE A 28 59.109 -13.005 -15.802 1.00 14.13 O ATOM 416 CB PHE A 28 61.838 -13.993 -15.153 1.00 13.43 C ATOM 417 CG PHE A 28 63.277 -14.071 -14.739 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.666 -13.721 -13.458 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.245 -14.475 -15.644 1.00 54.21 C ATOM 420 CE1 PHE A 28 64.993 -13.772 -13.086 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.574 -14.527 -15.278 1.00 45.12 C ATOM 422 CZ PHE A 28 65.948 -14.175 -13.997 1.00 30.44 C ATOM 0 H PHE A 28 61.121 -11.978 -13.730 1.00 1.00 H new ATOM 0 HA PHE A 28 62.224 -12.339 -16.427 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.203 -14.230 -14.299 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.640 -14.746 -15.916 1.00 13.43 H new ATOM 0 HD1 PHE A 28 62.922 -13.404 -12.742 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.956 -14.752 -16.647 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.284 -13.497 -12.083 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.320 -14.842 -15.992 1.00 45.12 H new ATOM 0 HZ PHE A 28 66.988 -14.215 -13.708 1.00 30.44 H new ATOM 432 N ARG A 29 60.117 -12.200 -17.636 1.00 72.21 N ATOM 433 CA ARG A 29 58.886 -12.034 -18.379 1.00 15.21 C ATOM 434 C ARG A 29 58.714 -13.165 -19.385 1.00 74.30 C ATOM 435 O ARG A 29 59.555 -13.366 -20.261 1.00 12.12 O ATOM 436 CB ARG A 29 58.890 -10.665 -19.068 1.00 53.45 C ATOM 437 CG ARG A 29 57.564 -10.278 -19.694 1.00 41.44 C ATOM 438 CD ARG A 29 57.639 -8.886 -20.303 1.00 1.41 C ATOM 439 NE ARG A 29 56.335 -8.391 -20.746 1.00 42.11 N ATOM 440 CZ ARG A 29 55.868 -7.175 -20.461 1.00 34.34 C ATOM 441 NH1 ARG A 29 56.612 -6.320 -19.767 1.00 14.43 N ATOM 442 NH2 ARG A 29 54.665 -6.807 -20.891 1.00 21.35 N ATOM 0 H ARG A 29 60.959 -11.958 -18.158 1.00 72.21 H new ATOM 0 HA ARG A 29 58.038 -12.075 -17.695 1.00 15.21 H new ATOM 0 HB2 ARG A 29 59.170 -9.905 -18.339 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.658 -10.663 -19.841 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.295 -11.002 -20.463 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.778 -10.308 -18.939 1.00 41.44 H new ATOM 0 HD2 ARG A 29 58.055 -8.195 -19.570 1.00 1.41 H new ATOM 0 HD3 ARG A 29 58.324 -8.901 -21.151 1.00 1.41 H new ATOM 0 HE ARG A 29 55.750 -9.012 -21.305 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.543 -6.593 -19.451 1.00 14.43 H new ATOM 0 HH12 ARG A 29 56.253 -5.390 -19.550 1.00 14.43 H new ATOM 0 HH21 ARG A 29 54.099 -7.455 -21.439 1.00 21.35 H new ATOM 0 HH22 ARG A 29 54.308 -5.877 -20.673 1.00 21.35 H new ATOM 456 N CYS A 30 57.636 -13.918 -19.221 1.00 53.14 N ATOM 457 CA CYS A 30 57.313 -15.027 -20.107 1.00 13.35 C ATOM 458 C CYS A 30 57.004 -14.519 -21.511 1.00 23.11 C ATOM 459 O CYS A 30 56.132 -13.677 -21.694 1.00 13.32 O ATOM 460 CB CYS A 30 56.114 -15.797 -19.548 1.00 24.13 C ATOM 461 SG CYS A 30 55.529 -17.152 -20.594 1.00 1.33 S ATOM 0 H CYS A 30 56.960 -13.777 -18.470 1.00 53.14 H new ATOM 0 HA CYS A 30 58.173 -15.694 -20.167 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.382 -16.200 -18.571 1.00 24.13 H new ATOM 0 HB3 CYS A 30 55.293 -15.098 -19.390 1.00 24.13 H new ATOM 0 HG CYS A 30 54.245 -17.045 -20.765 1.00 1.33 H new ATOM 466 N ILE A 31 57.709 -15.046 -22.497 1.00 13.20 N ATOM 467 CA ILE A 31 57.553 -14.603 -23.874 1.00 62.43 C ATOM 468 C ILE A 31 56.374 -15.301 -24.545 1.00 64.12 C ATOM 469 O ILE A 31 55.987 -14.954 -25.657 1.00 21.10 O ATOM 470 CB ILE A 31 58.834 -14.856 -24.700 1.00 61.10 C ATOM 471 CG1 ILE A 31 59.141 -16.358 -24.765 1.00 2.21 C ATOM 472 CG2 ILE A 31 60.006 -14.091 -24.100 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.328 -16.707 -25.639 1.00 74.30 C ATOM 0 H ILE A 31 58.399 -15.786 -22.369 1.00 13.20 H new ATOM 0 HA ILE A 31 57.364 -13.530 -23.842 1.00 62.43 H new ATOM 0 HB ILE A 31 58.673 -14.497 -25.717 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.326 -16.725 -23.755 1.00 2.21 H new ATOM 0 HG13 ILE A 31 58.261 -16.882 -25.138 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.903 -14.277 -24.691 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.784 -13.024 -24.104 1.00 12.21 H new ATOM 0 HG23 ILE A 31 60.171 -14.423 -23.075 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.480 -17.786 -25.633 1.00 74.30 H new ATOM 0 HD12 ILE A 31 60.139 -16.373 -26.659 1.00 74.30 H new ATOM 0 HD13 ILE A 31 61.220 -16.213 -25.255 1.00 74.30 H new ATOM 485 N GLN A 32 55.801 -16.285 -23.862 1.00 51.33 N ATOM 486 CA GLN A 32 54.660 -17.014 -24.399 1.00 23.44 C ATOM 487 C GLN A 32 53.351 -16.282 -24.116 1.00 13.04 C ATOM 488 O GLN A 32 52.329 -16.565 -24.740 1.00 35.13 O ATOM 489 CB GLN A 32 54.584 -18.424 -23.804 1.00 55.24 C ATOM 490 CG GLN A 32 55.705 -19.360 -24.226 1.00 33.15 C ATOM 491 CD GLN A 32 55.794 -19.536 -25.725 1.00 11.55 C ATOM 492 OE1 GLN A 32 56.654 -18.759 -26.356 1.00 42.33 O flip ATOM 493 NE2 GLN A 32 55.110 -20.379 -26.306 1.00 22.30 N flip ATOM 0 H GLN A 32 56.106 -16.595 -22.939 1.00 51.33 H new ATOM 0 HA GLN A 32 54.802 -17.083 -25.478 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.587 -18.344 -22.717 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.631 -18.871 -24.088 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.654 -18.973 -23.854 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.553 -20.333 -23.760 1.00 33.15 H new ATOM 0 HE21 GLN A 32 54.457 -20.958 -25.778 1.00 22.30 H new ATOM 0 HE22 GLN A 32 55.196 -20.498 -27.315 1.00 22.30 H new ATOM 502 N CYS A 33 53.375 -15.346 -23.174 1.00 2.20 N ATOM 503 CA CYS A 33 52.143 -14.677 -22.763 1.00 22.24 C ATOM 504 C CYS A 33 52.392 -13.262 -22.247 1.00 72.42 C ATOM 505 O CYS A 33 51.627 -12.347 -22.539 1.00 22.31 O ATOM 506 CB CYS A 33 51.431 -15.509 -21.695 1.00 41.11 C ATOM 507 SG CYS A 33 52.458 -15.920 -20.264 1.00 25.30 S ATOM 0 H CYS A 33 54.216 -15.036 -22.687 1.00 2.20 H new ATOM 0 HA CYS A 33 51.510 -14.589 -23.646 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.552 -14.963 -21.352 1.00 41.11 H new ATOM 0 HB3 CYS A 33 51.075 -16.434 -22.149 1.00 41.11 H new ATOM 0 HG CYS A 33 52.431 -17.204 -20.065 1.00 25.30 H new ATOM 512 N GLY A 34 53.457 -13.085 -21.476 1.00 75.22 N ATOM 513 CA GLY A 34 53.747 -11.781 -20.908 1.00 61.15 C ATOM 514 C GLY A 34 53.742 -11.795 -19.392 1.00 41.20 C ATOM 515 O GLY A 34 53.829 -10.744 -18.755 1.00 65.41 O ATOM 0 H GLY A 34 54.124 -13.818 -21.234 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.721 -11.442 -21.262 1.00 61.15 H new ATOM 0 HA3 GLY A 34 53.010 -11.061 -21.264 1.00 61.15 H new ATOM 519 N PHE A 35 53.626 -12.991 -18.819 1.00 44.34 N ATOM 520 CA PHE A 35 53.666 -13.164 -17.371 1.00 63.14 C ATOM 521 C PHE A 35 55.008 -12.698 -16.816 1.00 62.11 C ATOM 522 O PHE A 35 56.050 -13.276 -17.123 1.00 22.11 O ATOM 523 CB PHE A 35 53.431 -14.640 -17.021 1.00 51.10 C ATOM 524 CG PHE A 35 53.436 -14.943 -15.545 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.274 -14.834 -14.799 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.598 -15.349 -14.909 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.270 -15.122 -13.448 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.602 -15.636 -13.556 1.00 63.43 C ATOM 529 CZ PHE A 35 53.435 -15.523 -12.826 1.00 22.21 C ATOM 0 H PHE A 35 53.503 -13.859 -19.340 1.00 44.34 H new ATOM 0 HA PHE A 35 52.879 -12.559 -16.920 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.474 -14.951 -17.439 1.00 51.10 H new ATOM 0 HB3 PHE A 35 54.201 -15.242 -17.505 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.359 -14.520 -15.280 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.512 -15.443 -15.477 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.356 -15.033 -12.879 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.516 -15.948 -13.071 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.434 -15.748 -11.770 1.00 22.21 H new ATOM 539 N GLU A 36 54.980 -11.647 -16.012 1.00 21.30 N ATOM 540 CA GLU A 36 56.190 -11.117 -15.406 1.00 35.33 C ATOM 541 C GLU A 36 56.367 -11.660 -13.996 1.00 44.03 C ATOM 542 O GLU A 36 55.458 -11.587 -13.169 1.00 52.25 O ATOM 543 CB GLU A 36 56.157 -9.589 -15.394 1.00 30.54 C ATOM 544 CG GLU A 36 56.442 -8.972 -16.752 1.00 13.22 C ATOM 545 CD GLU A 36 56.174 -7.481 -16.788 1.00 51.45 C ATOM 546 OE1 GLU A 36 55.004 -7.088 -16.962 1.00 54.43 O ATOM 547 OE2 GLU A 36 57.135 -6.697 -16.646 1.00 35.32 O ATOM 0 H GLU A 36 54.129 -11.143 -15.764 1.00 21.30 H new ATOM 0 HA GLU A 36 57.043 -11.438 -16.004 1.00 35.33 H new ATOM 0 HB2 GLU A 36 55.178 -9.256 -15.050 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.889 -9.222 -14.675 1.00 30.54 H new ATOM 0 HG2 GLU A 36 57.483 -9.156 -17.018 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.828 -9.465 -17.506 1.00 13.22 H new ATOM 554 N TYR A 37 57.528 -12.237 -13.749 1.00 71.04 N ATOM 555 CA TYR A 37 57.864 -12.772 -12.441 1.00 2.31 C ATOM 556 C TYR A 37 58.906 -11.899 -11.751 1.00 2.10 C ATOM 557 O TYR A 37 60.049 -11.810 -12.203 1.00 33.24 O ATOM 558 CB TYR A 37 58.387 -14.209 -12.572 1.00 64.22 C ATOM 559 CG TYR A 37 59.065 -14.730 -11.320 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.325 -15.120 -10.209 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.450 -14.822 -11.250 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.949 -15.584 -9.065 1.00 32.50 C ATOM 563 CE2 TYR A 37 61.079 -15.282 -10.108 1.00 42.11 C ATOM 564 CZ TYR A 37 60.326 -15.664 -9.021 1.00 3.33 C ATOM 565 OH TYR A 37 60.949 -16.121 -7.883 1.00 35.44 O ATOM 0 H TYR A 37 58.264 -12.348 -14.447 1.00 71.04 H new ATOM 0 HA TYR A 37 56.959 -12.777 -11.833 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.555 -14.867 -12.824 1.00 64.22 H new ATOM 0 HB3 TYR A 37 59.092 -14.255 -13.402 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.247 -15.060 -10.240 1.00 13.05 H new ATOM 0 HD2 TYR A 37 61.045 -14.529 -12.102 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.361 -15.882 -8.210 1.00 32.50 H new ATOM 0 HE2 TYR A 37 62.157 -15.341 -10.069 1.00 42.11 H new ATOM 0 HH TYR A 37 61.890 -15.847 -7.893 1.00 35.44 H new ATOM 575 N ASP A 38 58.499 -11.241 -10.676 1.00 70.50 N ATOM 576 CA ASP A 38 59.421 -10.479 -9.848 1.00 10.30 C ATOM 577 C ASP A 38 60.161 -11.423 -8.921 1.00 4.53 C ATOM 578 O ASP A 38 59.526 -12.122 -8.130 1.00 73.13 O ATOM 579 CB ASP A 38 58.671 -9.460 -8.974 1.00 64.12 C ATOM 580 CG ASP A 38 57.701 -8.588 -9.743 1.00 45.13 C ATOM 581 OD1 ASP A 38 56.664 -9.108 -10.203 1.00 51.42 O ATOM 582 OD2 ASP A 38 57.958 -7.373 -9.863 1.00 30.54 O ATOM 0 H ASP A 38 57.531 -11.220 -10.356 1.00 70.50 H new ATOM 0 HA ASP A 38 60.109 -9.954 -10.511 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.126 -9.995 -8.197 1.00 64.12 H new ATOM 0 HB3 ASP A 38 59.398 -8.822 -8.472 1.00 64.12 H new ATOM 587 N GLU A 39 61.490 -11.454 -8.994 1.00 21.24 N ATOM 588 CA GLU A 39 62.263 -12.202 -8.002 1.00 73.35 C ATOM 589 C GLU A 39 62.013 -11.626 -6.609 1.00 61.05 C ATOM 590 O GLU A 39 62.209 -12.297 -5.598 1.00 14.23 O ATOM 591 CB GLU A 39 63.762 -12.157 -8.303 1.00 3.15 C ATOM 592 CG GLU A 39 64.202 -12.971 -9.509 1.00 2.32 C ATOM 593 CD GLU A 39 65.713 -13.021 -9.634 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.349 -11.943 -9.578 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.270 -14.132 -9.772 1.00 61.24 O ATOM 0 H GLU A 39 62.044 -10.983 -9.710 1.00 21.24 H new ATOM 0 HA GLU A 39 61.937 -13.241 -8.044 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.055 -11.119 -8.459 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.304 -12.513 -7.427 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.810 -13.985 -9.426 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.776 -12.538 -10.414 1.00 2.32 H new ATOM 602 N ALA A 40 61.567 -10.375 -6.567 1.00 41.21 N ATOM 603 CA ALA A 40 61.306 -9.688 -5.311 1.00 41.44 C ATOM 604 C ALA A 40 59.947 -10.071 -4.733 1.00 73.14 C ATOM 605 O ALA A 40 59.716 -9.932 -3.534 1.00 63.31 O ATOM 606 CB ALA A 40 61.372 -8.183 -5.516 1.00 64.54 C ATOM 0 H ALA A 40 61.378 -9.814 -7.397 1.00 41.21 H new ATOM 0 HA ALA A 40 62.073 -9.994 -4.600 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.175 -7.678 -4.570 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.364 -7.908 -5.875 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.624 -7.883 -6.250 1.00 64.54 H new ATOM 612 N LEU A 41 59.053 -10.548 -5.590 1.00 35.01 N ATOM 613 CA LEU A 41 57.697 -10.875 -5.172 1.00 43.03 C ATOM 614 C LEU A 41 57.561 -12.380 -4.970 1.00 41.24 C ATOM 615 O LEU A 41 57.009 -12.837 -3.966 1.00 5.12 O ATOM 616 CB LEU A 41 56.694 -10.372 -6.223 1.00 54.42 C ATOM 617 CG LEU A 41 55.253 -10.150 -5.744 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.485 -9.320 -6.760 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.540 -11.471 -5.523 1.00 50.10 C ATOM 0 H LEU A 41 59.243 -10.717 -6.578 1.00 35.01 H new ATOM 0 HA LEU A 41 57.482 -10.382 -4.224 1.00 43.03 H new ATOM 0 HB2 LEU A 41 57.067 -9.432 -6.628 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.674 -11.088 -7.045 1.00 54.42 H new ATOM 0 HG LEU A 41 55.294 -9.616 -4.795 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.464 -9.169 -6.409 1.00 54.05 H new ATOM 0 HD12 LEU A 41 54.973 -8.353 -6.883 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.467 -9.842 -7.717 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.521 -11.282 -5.184 1.00 50.10 H new ATOM 0 HD22 LEU A 41 54.514 -12.031 -6.458 1.00 50.10 H new ATOM 0 HD23 LEU A 41 55.072 -12.050 -4.768 1.00 50.10 H new ATOM 631 N GLY A 42 58.072 -13.144 -5.923 1.00 60.35 N ATOM 632 CA GLY A 42 57.964 -14.582 -5.852 1.00 65.42 C ATOM 633 C GLY A 42 56.596 -15.063 -6.287 1.00 1.31 C ATOM 634 O GLY A 42 55.853 -14.332 -6.945 1.00 22.32 O ATOM 0 H GLY A 42 58.561 -12.791 -6.746 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.727 -15.036 -6.484 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.158 -14.912 -4.831 1.00 65.42 H new ATOM 638 N TRP A 43 56.255 -16.285 -5.915 1.00 34.01 N ATOM 639 CA TRP A 43 54.941 -16.833 -6.208 1.00 72.13 C ATOM 640 C TRP A 43 54.528 -17.772 -5.082 1.00 1.53 C ATOM 641 O TRP A 43 54.722 -18.991 -5.161 1.00 0.54 O ATOM 642 CB TRP A 43 54.934 -17.564 -7.556 1.00 22.21 C ATOM 643 CG TRP A 43 53.554 -17.813 -8.086 1.00 61.44 C ATOM 644 CD1 TRP A 43 52.884 -19.001 -8.126 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.671 -16.838 -8.649 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.639 -18.821 -8.678 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.486 -17.504 -9.008 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.770 -15.464 -8.887 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.407 -16.843 -9.593 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.699 -14.809 -9.465 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.530 -15.499 -9.813 1.00 72.01 C ATOM 0 H TRP A 43 56.872 -16.919 -5.408 1.00 34.01 H new ATOM 0 HA TRP A 43 54.224 -16.015 -6.279 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.495 -16.977 -8.283 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.452 -18.517 -7.448 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.275 -19.945 -7.775 1.00 62.34 H new ATOM 0 HE1 TRP A 43 50.942 -19.552 -8.819 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.667 -14.924 -8.624 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.506 -17.374 -9.863 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.764 -13.747 -9.652 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.710 -14.959 -10.264 1.00 72.01 H new ATOM 662 N PRO A 44 53.954 -17.205 -4.011 1.00 45.41 N ATOM 663 CA PRO A 44 53.653 -17.944 -2.782 1.00 41.22 C ATOM 664 C PRO A 44 52.582 -19.004 -2.991 1.00 43.31 C ATOM 665 O PRO A 44 52.507 -19.978 -2.247 1.00 52.04 O ATOM 666 CB PRO A 44 53.156 -16.866 -1.806 1.00 1.41 C ATOM 667 CG PRO A 44 53.463 -15.556 -2.446 1.00 43.31 C ATOM 668 CD PRO A 44 53.540 -15.800 -3.922 1.00 12.02 C ATOM 0 HA PRO A 44 54.527 -18.485 -2.419 1.00 41.22 H new ATOM 0 HB2 PRO A 44 52.086 -16.969 -1.623 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.655 -16.955 -0.841 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.690 -14.823 -2.216 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.405 -15.154 -2.071 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.579 -15.632 -4.408 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.260 -15.137 -4.402 1.00 12.02 H new ATOM 676 N GLU A 45 51.770 -18.815 -4.023 1.00 52.10 N ATOM 677 CA GLU A 45 50.704 -19.757 -4.340 1.00 33.11 C ATOM 678 C GLU A 45 51.278 -21.113 -4.743 1.00 32.45 C ATOM 679 O GLU A 45 50.617 -22.142 -4.611 1.00 53.21 O ATOM 680 CB GLU A 45 49.818 -19.212 -5.461 1.00 63.41 C ATOM 681 CG GLU A 45 49.241 -17.837 -5.174 1.00 44.43 C ATOM 682 CD GLU A 45 48.151 -17.454 -6.153 1.00 32.53 C ATOM 683 OE1 GLU A 45 48.235 -17.853 -7.334 1.00 63.33 O ATOM 684 OE2 GLU A 45 47.200 -16.755 -5.743 1.00 61.31 O ATOM 0 H GLU A 45 51.829 -18.017 -4.656 1.00 52.10 H new ATOM 0 HA GLU A 45 50.097 -19.889 -3.444 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.400 -19.166 -6.381 1.00 63.41 H new ATOM 0 HB3 GLU A 45 48.999 -19.910 -5.636 1.00 63.41 H new ATOM 0 HG2 GLU A 45 48.839 -17.819 -4.161 1.00 44.43 H new ATOM 0 HG3 GLU A 45 50.039 -17.095 -5.214 1.00 44.43 H new ATOM 691 N ASP A 46 52.511 -21.110 -5.238 1.00 54.25 N ATOM 692 CA ASP A 46 53.175 -22.353 -5.626 1.00 30.40 C ATOM 693 C ASP A 46 54.225 -22.745 -4.593 1.00 61.32 C ATOM 694 O ASP A 46 54.586 -23.915 -4.464 1.00 73.23 O ATOM 695 CB ASP A 46 53.825 -22.198 -7.002 1.00 23.20 C ATOM 696 CG ASP A 46 54.563 -23.446 -7.442 1.00 70.52 C ATOM 697 OD1 ASP A 46 53.899 -24.415 -7.867 1.00 44.22 O ATOM 698 OD2 ASP A 46 55.805 -23.458 -7.382 1.00 44.11 O ATOM 0 H ASP A 46 53.069 -20.268 -5.380 1.00 54.25 H new ATOM 0 HA ASP A 46 52.425 -23.143 -5.676 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.057 -21.956 -7.737 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.520 -21.359 -6.979 1.00 23.20 H new ATOM 703 N GLY A 47 54.688 -21.762 -3.835 1.00 73.12 N ATOM 704 CA GLY A 47 55.707 -22.017 -2.838 1.00 12.11 C ATOM 705 C GLY A 47 56.979 -21.247 -3.116 1.00 64.11 C ATOM 706 O GLY A 47 57.936 -21.316 -2.348 1.00 22.42 O ATOM 0 H GLY A 47 54.376 -20.792 -3.892 1.00 73.12 H new ATOM 0 HA2 GLY A 47 55.327 -21.745 -1.853 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.928 -23.084 -2.811 1.00 12.11 H new ATOM 710 N ILE A 48 56.991 -20.510 -4.219 1.00 0.01 N ATOM 711 CA ILE A 48 58.145 -19.703 -4.588 1.00 25.24 C ATOM 712 C ILE A 48 58.228 -18.482 -3.679 1.00 62.01 C ATOM 713 O ILE A 48 57.317 -17.655 -3.662 1.00 62.43 O ATOM 714 CB ILE A 48 58.073 -19.241 -6.062 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.822 -20.432 -6.998 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.352 -18.514 -6.458 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.895 -21.497 -6.937 1.00 43.03 C ATOM 0 H ILE A 48 56.212 -20.455 -4.875 1.00 0.01 H new ATOM 0 HA ILE A 48 59.035 -20.321 -4.471 1.00 25.24 H new ATOM 0 HB ILE A 48 57.236 -18.549 -6.159 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.862 -20.883 -6.747 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.744 -20.067 -8.022 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.283 -18.196 -7.498 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.486 -17.640 -5.820 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.203 -19.184 -6.339 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.646 -22.304 -7.626 1.00 43.03 H new ATOM 0 HD12 ILE A 48 59.855 -21.063 -7.218 1.00 43.03 H new ATOM 0 HD13 ILE A 48 58.958 -21.892 -5.923 1.00 43.03 H new ATOM 729 N ALA A 49 59.312 -18.374 -2.928 1.00 31.20 N ATOM 730 CA ALA A 49 59.432 -17.332 -1.920 1.00 5.11 C ATOM 731 C ALA A 49 59.997 -16.042 -2.500 1.00 32.55 C ATOM 732 O ALA A 49 60.800 -16.057 -3.433 1.00 44.13 O ATOM 733 CB ALA A 49 60.296 -17.817 -0.764 1.00 50.42 C ATOM 0 H ALA A 49 60.120 -18.993 -2.997 1.00 31.20 H new ATOM 0 HA ALA A 49 58.430 -17.112 -1.552 1.00 5.11 H new ATOM 0 HB1 ALA A 49 60.379 -17.029 -0.016 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.840 -18.698 -0.314 1.00 50.42 H new ATOM 0 HB3 ALA A 49 61.289 -18.072 -1.134 1.00 50.42 H new ATOM 739 N ALA A 50 59.560 -14.923 -1.944 1.00 43.33 N ATOM 740 CA ALA A 50 60.084 -13.624 -2.326 1.00 31.42 C ATOM 741 C ALA A 50 61.571 -13.552 -2.014 1.00 65.35 C ATOM 742 O ALA A 50 61.984 -13.715 -0.864 1.00 33.24 O ATOM 743 CB ALA A 50 59.335 -12.517 -1.600 1.00 12.13 C ATOM 0 H ALA A 50 58.840 -14.890 -1.223 1.00 43.33 H new ATOM 0 HA ALA A 50 59.943 -13.488 -3.398 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.739 -11.549 -1.897 1.00 12.13 H new ATOM 0 HB2 ALA A 50 58.277 -12.563 -1.859 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.451 -12.644 -0.524 1.00 12.13 H new ATOM 749 N GLY A 51 62.374 -13.325 -3.038 1.00 23.11 N ATOM 750 CA GLY A 51 63.808 -13.303 -2.857 1.00 51.21 C ATOM 751 C GLY A 51 64.471 -14.520 -3.465 1.00 12.22 C ATOM 752 O GLY A 51 65.693 -14.553 -3.613 1.00 44.15 O ATOM 0 H GLY A 51 62.059 -13.155 -3.993 1.00 23.11 H new ATOM 0 HA2 GLY A 51 64.218 -12.401 -3.312 1.00 51.21 H new ATOM 0 HA3 GLY A 51 64.039 -13.257 -1.793 1.00 51.21 H new ATOM 756 N THR A 52 63.668 -15.520 -3.813 1.00 34.23 N ATOM 757 CA THR A 52 64.177 -16.707 -4.482 1.00 72.11 C ATOM 758 C THR A 52 64.670 -16.357 -5.886 1.00 32.45 C ATOM 759 O THR A 52 63.892 -15.919 -6.735 1.00 11.25 O ATOM 760 CB THR A 52 63.093 -17.807 -4.568 1.00 4.53 C ATOM 761 OG1 THR A 52 62.676 -18.182 -3.249 1.00 61.21 O ATOM 762 CG2 THR A 52 63.607 -19.037 -5.307 1.00 63.31 C ATOM 0 H THR A 52 62.662 -15.530 -3.642 1.00 34.23 H new ATOM 0 HA THR A 52 65.011 -17.089 -3.893 1.00 72.11 H new ATOM 0 HB THR A 52 62.247 -17.402 -5.124 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.943 -17.599 -2.960 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.821 -19.791 -5.350 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.898 -18.758 -6.320 1.00 63.31 H new ATOM 0 HG23 THR A 52 64.471 -19.443 -4.781 1.00 63.31 H new ATOM 770 N ARG A 53 65.971 -16.527 -6.110 1.00 11.11 N ATOM 771 CA ARG A 53 66.569 -16.251 -7.410 1.00 1.42 C ATOM 772 C ARG A 53 66.131 -17.289 -8.437 1.00 24.11 C ATOM 773 O ARG A 53 65.817 -18.430 -8.091 1.00 33.21 O ATOM 774 CB ARG A 53 68.097 -16.235 -7.316 1.00 42.33 C ATOM 775 CG ARG A 53 68.667 -15.052 -6.545 1.00 70.11 C ATOM 776 CD ARG A 53 68.406 -13.726 -7.251 1.00 62.02 C ATOM 777 NE ARG A 53 69.250 -12.657 -6.716 1.00 73.44 N ATOM 778 CZ ARG A 53 69.316 -11.424 -7.217 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.520 -11.054 -8.213 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.178 -10.553 -6.709 1.00 20.33 N ATOM 0 H ARG A 53 66.631 -16.855 -5.405 1.00 11.11 H new ATOM 0 HA ARG A 53 66.225 -15.267 -7.730 1.00 1.42 H new ATOM 0 HB2 ARG A 53 68.429 -17.158 -6.840 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.511 -16.230 -8.324 1.00 42.33 H new ATOM 0 HG2 ARG A 53 68.227 -15.024 -5.548 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.741 -15.188 -6.416 1.00 70.11 H new ATOM 0 HD2 ARG A 53 68.593 -13.838 -8.319 1.00 62.02 H new ATOM 0 HD3 ARG A 53 67.357 -13.453 -7.138 1.00 62.02 H new ATOM 0 HE ARG A 53 69.828 -12.871 -5.903 1.00 73.44 H new ATOM 0 HH11 ARG A 53 67.849 -11.716 -8.603 1.00 5.03 H new ATOM 0 HH12 ARG A 53 68.579 -10.108 -8.589 1.00 5.03 H new ATOM 0 HH21 ARG A 53 70.787 -10.828 -5.938 1.00 20.33 H new ATOM 0 HH22 ARG A 53 70.232 -9.608 -7.089 1.00 20.33 H new ATOM 794 N TRP A 54 66.129 -16.880 -9.697 1.00 75.02 N ATOM 795 CA TRP A 54 65.714 -17.730 -10.807 1.00 4.51 C ATOM 796 C TRP A 54 66.438 -19.080 -10.803 1.00 51.50 C ATOM 797 O TRP A 54 65.824 -20.124 -11.035 1.00 53.22 O ATOM 798 CB TRP A 54 65.987 -17.002 -12.119 1.00 14.02 C ATOM 799 CG TRP A 54 65.290 -17.594 -13.302 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.871 -18.162 -14.397 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.877 -17.665 -13.511 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.905 -18.578 -15.279 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.670 -18.287 -14.756 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.765 -17.264 -12.764 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.394 -18.512 -15.269 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.503 -17.490 -13.274 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.326 -18.110 -14.515 1.00 44.10 C ATOM 0 H TRP A 54 66.417 -15.944 -9.982 1.00 75.02 H new ATOM 0 HA TRP A 54 64.649 -17.934 -10.697 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.682 -15.961 -12.015 1.00 14.02 H new ATOM 0 HB3 TRP A 54 67.061 -17.002 -12.306 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.935 -18.269 -14.548 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.077 -19.030 -16.177 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.892 -16.785 -11.804 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.253 -18.987 -16.229 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.638 -17.183 -12.705 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.325 -18.275 -14.886 1.00 44.10 H new ATOM 818 N ASP A 55 67.735 -19.055 -10.523 1.00 34.41 N ATOM 819 CA ASP A 55 68.550 -20.271 -10.550 1.00 13.53 C ATOM 820 C ASP A 55 68.254 -21.179 -9.364 1.00 43.20 C ATOM 821 O ASP A 55 68.636 -22.348 -9.359 1.00 13.14 O ATOM 822 CB ASP A 55 70.038 -19.932 -10.570 1.00 34.21 C ATOM 823 CG ASP A 55 70.482 -19.352 -11.892 1.00 1.12 C ATOM 824 OD1 ASP A 55 70.531 -20.103 -12.890 1.00 31.21 O ATOM 825 OD2 ASP A 55 70.787 -18.144 -11.942 1.00 31.22 O ATOM 0 H ASP A 55 68.248 -18.209 -10.275 1.00 34.41 H new ATOM 0 HA ASP A 55 68.289 -20.803 -11.465 1.00 13.53 H new ATOM 0 HB2 ASP A 55 70.256 -19.221 -9.773 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.615 -20.832 -10.360 1.00 34.21 H new ATOM 830 N ASP A 56 67.580 -20.640 -8.363 1.00 74.00 N ATOM 831 CA ASP A 56 67.222 -21.418 -7.184 1.00 13.50 C ATOM 832 C ASP A 56 65.885 -22.108 -7.421 1.00 35.01 C ATOM 833 O ASP A 56 65.496 -23.026 -6.697 1.00 73.34 O ATOM 834 CB ASP A 56 67.163 -20.510 -5.949 1.00 10.43 C ATOM 835 CG ASP A 56 66.913 -21.271 -4.661 1.00 24.32 C ATOM 836 OD1 ASP A 56 67.694 -22.195 -4.345 1.00 73.21 O ATOM 837 OD2 ASP A 56 65.940 -20.941 -3.950 1.00 45.42 O ATOM 0 H ASP A 56 67.269 -19.669 -8.340 1.00 74.00 H new ATOM 0 HA ASP A 56 67.981 -22.179 -7.003 1.00 13.50 H new ATOM 0 HB2 ASP A 56 68.101 -19.962 -5.864 1.00 10.43 H new ATOM 0 HB3 ASP A 56 66.373 -19.771 -6.086 1.00 10.43 H new ATOM 842 N ILE A 57 65.193 -21.666 -8.463 1.00 54.25 N ATOM 843 CA ILE A 57 63.928 -22.260 -8.862 1.00 24.31 C ATOM 844 C ILE A 57 64.178 -23.450 -9.786 1.00 43.24 C ATOM 845 O ILE A 57 64.900 -23.325 -10.780 1.00 14.33 O ATOM 846 CB ILE A 57 63.033 -21.237 -9.594 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.818 -19.996 -8.727 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.697 -21.867 -9.962 1.00 13.22 C ATOM 849 CD1 ILE A 57 62.042 -18.899 -9.423 1.00 14.05 C ATOM 0 H ILE A 57 65.493 -20.889 -9.052 1.00 54.25 H new ATOM 0 HA ILE A 57 63.417 -22.589 -7.957 1.00 24.31 H new ATOM 0 HB ILE A 57 63.536 -20.933 -10.512 1.00 73.12 H new ATOM 0 HG12 ILE A 57 62.288 -20.284 -7.819 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.788 -19.605 -8.420 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.078 -21.133 -10.477 1.00 13.22 H new ATOM 0 HG22 ILE A 57 61.866 -22.722 -10.616 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.189 -22.198 -9.056 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.928 -18.050 -8.749 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.581 -18.583 -10.316 1.00 14.05 H new ATOM 0 HD13 ILE A 57 61.058 -19.273 -9.706 1.00 14.05 H new ATOM 861 N PRO A 58 63.596 -24.617 -9.464 1.00 63.44 N ATOM 862 CA PRO A 58 63.714 -25.824 -10.291 1.00 3.44 C ATOM 863 C PRO A 58 63.236 -25.592 -11.722 1.00 51.00 C ATOM 864 O PRO A 58 62.198 -24.966 -11.949 1.00 45.01 O ATOM 865 CB PRO A 58 62.812 -26.848 -9.586 1.00 24.00 C ATOM 866 CG PRO A 58 61.960 -26.053 -8.654 1.00 73.11 C ATOM 867 CD PRO A 58 62.781 -24.859 -8.265 1.00 50.42 C ATOM 0 HA PRO A 58 64.751 -26.149 -10.381 1.00 3.44 H new ATOM 0 HB2 PRO A 58 62.202 -27.395 -10.305 1.00 24.00 H new ATOM 0 HB3 PRO A 58 63.404 -27.585 -9.044 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.032 -25.748 -9.137 1.00 73.11 H new ATOM 0 HG3 PRO A 58 61.686 -26.641 -7.778 1.00 73.11 H new ATOM 0 HD2 PRO A 58 62.155 -24.000 -8.022 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.399 -25.061 -7.390 1.00 50.42 H new ATOM 875 N ASP A 59 63.990 -26.113 -12.684 1.00 25.01 N ATOM 876 CA ASP A 59 63.684 -25.921 -14.102 1.00 41.44 C ATOM 877 C ASP A 59 62.460 -26.724 -14.529 1.00 34.41 C ATOM 878 O ASP A 59 62.050 -26.681 -15.690 1.00 72.22 O ATOM 879 CB ASP A 59 64.894 -26.269 -14.973 1.00 1.55 C ATOM 880 CG ASP A 59 65.894 -25.133 -15.035 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.451 -24.765 -13.979 1.00 4.21 O ATOM 882 OD2 ASP A 59 66.102 -24.574 -16.131 1.00 11.32 O ATOM 0 H ASP A 59 64.823 -26.675 -12.509 1.00 25.01 H new ATOM 0 HA ASP A 59 63.449 -24.866 -14.245 1.00 41.44 H new ATOM 0 HB2 ASP A 59 65.381 -27.160 -14.577 1.00 1.55 H new ATOM 0 HB3 ASP A 59 64.557 -26.511 -15.981 1.00 1.55 H new ATOM 887 N ASP A 60 61.887 -27.455 -13.582 1.00 32.43 N ATOM 888 CA ASP A 60 60.634 -28.164 -13.805 1.00 54.13 C ATOM 889 C ASP A 60 59.461 -27.196 -13.690 1.00 24.24 C ATOM 890 O ASP A 60 58.400 -27.409 -14.276 1.00 12.35 O ATOM 891 CB ASP A 60 60.480 -29.295 -12.787 1.00 23.23 C ATOM 892 CG ASP A 60 59.184 -30.064 -12.955 1.00 23.22 C ATOM 893 OD1 ASP A 60 59.166 -31.041 -13.732 1.00 42.45 O ATOM 894 OD2 ASP A 60 58.184 -29.709 -12.300 1.00 70.35 O ATOM 0 H ASP A 60 62.274 -27.573 -12.645 1.00 32.43 H new ATOM 0 HA ASP A 60 60.645 -28.592 -14.807 1.00 54.13 H new ATOM 0 HB2 ASP A 60 61.320 -29.982 -12.884 1.00 23.23 H new ATOM 0 HB3 ASP A 60 60.523 -28.880 -11.780 1.00 23.23 H new ATOM 899 N TRP A 61 59.674 -26.115 -12.945 1.00 5.24 N ATOM 900 CA TRP A 61 58.627 -25.133 -12.701 1.00 42.43 C ATOM 901 C TRP A 61 58.353 -24.320 -13.959 1.00 33.21 C ATOM 902 O TRP A 61 59.274 -23.796 -14.587 1.00 22.24 O ATOM 903 CB TRP A 61 59.028 -24.210 -11.548 1.00 54.42 C ATOM 904 CG TRP A 61 58.015 -23.148 -11.238 1.00 53.20 C ATOM 905 CD1 TRP A 61 56.821 -23.318 -10.600 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.111 -21.752 -11.546 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.169 -22.115 -10.490 1.00 41.04 N ATOM 908 CE2 TRP A 61 56.940 -21.138 -11.065 1.00 14.21 C ATOM 909 CE3 TRP A 61 59.074 -20.963 -12.182 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.708 -19.772 -11.198 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.842 -19.608 -12.314 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.667 -19.025 -11.825 1.00 25.01 C ATOM 0 H TRP A 61 60.566 -25.898 -12.500 1.00 5.24 H new ATOM 0 HA TRP A 61 57.713 -25.661 -12.427 1.00 42.43 H new ATOM 0 HB2 TRP A 61 59.194 -24.812 -10.655 1.00 54.42 H new ATOM 0 HB3 TRP A 61 59.977 -23.733 -11.791 1.00 54.42 H new ATOM 0 HD1 TRP A 61 56.444 -24.262 -10.235 1.00 30.52 H new ATOM 0 HE1 TRP A 61 55.259 -21.971 -10.052 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.983 -21.405 -12.563 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.804 -19.318 -10.820 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.579 -18.988 -12.802 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.514 -17.963 -11.945 1.00 25.01 H new ATOM 923 N SER A 62 57.089 -24.236 -14.330 1.00 54.20 N ATOM 924 CA SER A 62 56.684 -23.467 -15.486 1.00 3.30 C ATOM 925 C SER A 62 55.739 -22.340 -15.072 1.00 13.23 C ATOM 926 O SER A 62 55.292 -22.287 -13.929 1.00 63.43 O ATOM 927 CB SER A 62 56.014 -24.388 -16.504 1.00 63.43 C ATOM 928 OG SER A 62 56.853 -25.490 -16.813 1.00 64.32 O ATOM 0 H SER A 62 56.321 -24.696 -13.841 1.00 54.20 H new ATOM 0 HA SER A 62 57.565 -23.017 -15.944 1.00 3.30 H new ATOM 0 HB2 SER A 62 55.065 -24.748 -16.107 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.788 -23.830 -17.413 1.00 63.43 H new ATOM 0 HG SER A 62 56.406 -26.069 -17.465 1.00 64.32 H new ATOM 934 N CYS A 63 55.463 -21.442 -16.009 1.00 24.15 N ATOM 935 CA CYS A 63 54.547 -20.332 -15.791 1.00 63.43 C ATOM 936 C CYS A 63 53.214 -20.824 -15.226 1.00 24.51 C ATOM 937 O CYS A 63 52.508 -21.596 -15.876 1.00 44.14 O ATOM 938 CB CYS A 63 54.323 -19.599 -17.116 1.00 63.12 C ATOM 939 SG CYS A 63 53.143 -18.234 -17.031 1.00 13.20 S ATOM 0 H CYS A 63 55.870 -21.464 -16.944 1.00 24.15 H new ATOM 0 HA CYS A 63 54.985 -19.649 -15.063 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.280 -19.213 -17.469 1.00 63.12 H new ATOM 0 HB3 CYS A 63 53.975 -20.317 -17.859 1.00 63.12 H new ATOM 0 HG CYS A 63 53.664 -17.251 -16.359 1.00 13.20 H new ATOM 944 N PRO A 64 52.855 -20.382 -14.009 1.00 12.23 N ATOM 945 CA PRO A 64 51.618 -20.801 -13.340 1.00 52.51 C ATOM 946 C PRO A 64 50.369 -20.287 -14.053 1.00 52.22 C ATOM 947 O PRO A 64 49.245 -20.644 -13.698 1.00 21.33 O ATOM 948 CB PRO A 64 51.726 -20.177 -11.940 1.00 2.43 C ATOM 949 CG PRO A 64 53.152 -19.761 -11.797 1.00 63.34 C ATOM 950 CD PRO A 64 53.637 -19.457 -13.181 1.00 75.23 C ATOM 0 HA PRO A 64 51.517 -21.886 -13.328 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.056 -19.323 -11.838 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.447 -20.894 -11.168 1.00 2.43 H new ATOM 0 HG2 PRO A 64 53.240 -18.886 -11.152 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.745 -20.554 -11.341 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.456 -18.417 -13.454 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.708 -19.631 -13.282 1.00 75.23 H new ATOM 958 N ASP A 65 50.574 -19.435 -15.042 1.00 62.43 N ATOM 959 CA ASP A 65 49.478 -18.907 -15.839 1.00 4.14 C ATOM 960 C ASP A 65 49.140 -19.854 -16.985 1.00 73.14 C ATOM 961 O ASP A 65 47.999 -20.285 -17.125 1.00 75.43 O ATOM 962 CB ASP A 65 49.833 -17.520 -16.380 1.00 75.11 C ATOM 963 CG ASP A 65 48.868 -17.043 -17.446 1.00 74.01 C ATOM 964 OD1 ASP A 65 47.668 -16.877 -17.146 1.00 12.44 O ATOM 965 OD2 ASP A 65 49.305 -16.841 -18.597 1.00 62.34 O ATOM 0 H ASP A 65 51.495 -19.092 -15.314 1.00 62.43 H new ATOM 0 HA ASP A 65 48.600 -18.817 -15.199 1.00 4.14 H new ATOM 0 HB2 ASP A 65 49.841 -16.805 -15.557 1.00 75.11 H new ATOM 0 HB3 ASP A 65 50.842 -17.543 -16.793 1.00 75.11 H new ATOM 970 N CYS A 66 50.141 -20.195 -17.782 1.00 24.23 N ATOM 971 CA CYS A 66 49.921 -21.029 -18.956 1.00 44.35 C ATOM 972 C CYS A 66 50.628 -22.380 -18.836 1.00 61.50 C ATOM 973 O CYS A 66 49.994 -23.432 -18.930 1.00 33.10 O ATOM 974 CB CYS A 66 50.387 -20.292 -20.212 1.00 11.53 C ATOM 975 SG CYS A 66 52.067 -19.624 -20.108 1.00 2.42 S ATOM 0 H CYS A 66 51.110 -19.909 -17.639 1.00 24.23 H new ATOM 0 HA CYS A 66 48.852 -21.228 -19.029 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.332 -20.974 -21.060 1.00 11.53 H new ATOM 0 HB3 CYS A 66 49.696 -19.474 -20.416 1.00 11.53 H new ATOM 0 HG CYS A 66 52.269 -19.141 -18.918 1.00 2.42 H new ATOM 980 N GLY A 67 51.938 -22.346 -18.621 1.00 11.35 N ATOM 981 CA GLY A 67 52.705 -23.574 -18.534 1.00 2.21 C ATOM 982 C GLY A 67 54.007 -23.504 -19.309 1.00 45.15 C ATOM 983 O GLY A 67 54.666 -24.523 -19.516 1.00 12.15 O ATOM 0 H GLY A 67 52.482 -21.491 -18.506 1.00 11.35 H new ATOM 0 HA2 GLY A 67 52.920 -23.790 -17.488 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.105 -24.401 -18.913 1.00 2.21 H new ATOM 987 N ALA A 68 54.373 -22.307 -19.757 1.00 3.21 N ATOM 988 CA ALA A 68 55.653 -22.101 -20.421 1.00 51.33 C ATOM 989 C ALA A 68 56.791 -22.268 -19.424 1.00 24.02 C ATOM 990 O ALA A 68 56.727 -21.747 -18.312 1.00 24.41 O ATOM 991 CB ALA A 68 55.700 -20.725 -21.067 1.00 22.41 C ATOM 0 H ALA A 68 53.801 -21.467 -19.672 1.00 3.21 H new ATOM 0 HA ALA A 68 55.768 -22.849 -21.206 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.663 -20.587 -21.559 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.901 -20.641 -21.804 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.570 -19.959 -20.302 1.00 22.41 H new ATOM 997 N ALA A 69 57.824 -22.993 -19.822 1.00 63.43 N ATOM 998 CA ALA A 69 58.920 -23.330 -18.920 1.00 14.25 C ATOM 999 C ALA A 69 59.821 -22.127 -18.661 1.00 45.14 C ATOM 1000 O ALA A 69 59.627 -21.059 -19.235 1.00 64.45 O ATOM 1001 CB ALA A 69 59.731 -24.484 -19.493 1.00 43.25 C ATOM 0 H ALA A 69 57.929 -23.362 -20.767 1.00 63.43 H new ATOM 0 HA ALA A 69 58.489 -23.633 -17.966 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.547 -24.728 -18.813 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.088 -25.355 -19.616 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.140 -24.196 -20.461 1.00 43.25 H new ATOM 1007 N LYS A 70 60.816 -22.317 -17.797 1.00 44.04 N ATOM 1008 CA LYS A 70 61.758 -21.256 -17.442 1.00 2.40 C ATOM 1009 C LYS A 70 62.452 -20.680 -18.674 1.00 33.52 C ATOM 1010 O LYS A 70 62.749 -19.487 -18.730 1.00 53.10 O ATOM 1011 CB LYS A 70 62.807 -21.784 -16.459 1.00 2.20 C ATOM 1012 CG LYS A 70 62.267 -22.038 -15.059 1.00 4.42 C ATOM 1013 CD LYS A 70 63.335 -22.623 -14.145 1.00 65.43 C ATOM 1014 CE LYS A 70 64.564 -21.728 -14.060 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.638 -22.333 -13.227 1.00 61.24 N ATOM 0 H LYS A 70 60.992 -23.204 -17.326 1.00 44.04 H new ATOM 0 HA LYS A 70 61.186 -20.456 -16.971 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.224 -22.712 -16.851 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.626 -21.068 -16.397 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.897 -21.104 -14.636 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.420 -22.721 -15.113 1.00 4.42 H new ATOM 0 HD2 LYS A 70 62.920 -22.765 -13.147 1.00 65.43 H new ATOM 0 HD3 LYS A 70 63.627 -23.607 -14.512 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.946 -21.540 -15.064 1.00 20.30 H new ATOM 0 HE3 LYS A 70 64.281 -20.762 -13.641 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.265 -21.584 -12.872 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.212 -22.837 -12.424 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 66.189 -23.001 -13.803 1.00 61.24 H new ATOM 1029 N SER A 71 62.691 -21.528 -19.665 1.00 24.44 N ATOM 1030 CA SER A 71 63.375 -21.114 -20.885 1.00 74.02 C ATOM 1031 C SER A 71 62.533 -20.110 -21.676 1.00 74.23 C ATOM 1032 O SER A 71 63.037 -19.422 -22.563 1.00 30.43 O ATOM 1033 CB SER A 71 63.692 -22.343 -21.746 1.00 35.23 C ATOM 1034 OG SER A 71 64.523 -22.011 -22.847 1.00 35.24 O ATOM 0 H SER A 71 62.420 -22.511 -19.649 1.00 24.44 H new ATOM 0 HA SER A 71 64.307 -20.622 -20.608 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.183 -23.099 -21.134 1.00 35.23 H new ATOM 0 HB3 SER A 71 62.763 -22.782 -22.110 1.00 35.23 H new ATOM 0 HG SER A 71 64.706 -22.817 -23.373 1.00 35.24 H new ATOM 1040 N ASP A 72 61.254 -20.012 -21.339 1.00 22.41 N ATOM 1041 CA ASP A 72 60.354 -19.092 -22.022 1.00 53.55 C ATOM 1042 C ASP A 72 60.310 -17.744 -21.313 1.00 72.53 C ATOM 1043 O ASP A 72 59.539 -16.863 -21.689 1.00 51.33 O ATOM 1044 CB ASP A 72 58.942 -19.674 -22.104 1.00 31.01 C ATOM 1045 CG ASP A 72 58.871 -20.934 -22.943 1.00 15.41 C ATOM 1046 OD1 ASP A 72 58.779 -20.827 -24.181 1.00 14.24 O ATOM 1047 OD2 ASP A 72 58.907 -22.041 -22.367 1.00 20.11 O ATOM 0 H ASP A 72 60.816 -20.558 -20.597 1.00 22.41 H new ATOM 0 HA ASP A 72 60.738 -18.946 -23.032 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.586 -19.893 -21.097 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.270 -18.926 -22.524 1.00 31.01 H new ATOM 1052 N PHE A 73 61.128 -17.585 -20.283 1.00 54.42 N ATOM 1053 CA PHE A 73 61.203 -16.321 -19.566 1.00 32.03 C ATOM 1054 C PHE A 73 62.471 -15.570 -19.947 1.00 41.43 C ATOM 1055 O PHE A 73 63.528 -16.177 -20.144 1.00 33.41 O ATOM 1056 CB PHE A 73 61.174 -16.556 -18.053 1.00 12.00 C ATOM 1057 CG PHE A 73 59.842 -17.011 -17.526 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.442 -18.332 -17.645 1.00 13.51 C ATOM 1059 CD2 PHE A 73 58.991 -16.113 -16.904 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.220 -18.747 -17.152 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.770 -16.522 -16.409 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.383 -17.840 -16.535 1.00 32.20 C ATOM 0 H PHE A 73 61.747 -18.313 -19.926 1.00 54.42 H new ATOM 0 HA PHE A 73 60.337 -15.720 -19.844 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.927 -17.302 -17.798 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.456 -15.632 -17.548 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.093 -19.045 -18.129 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.287 -15.079 -16.805 1.00 71.52 H new ATOM 0 HE1 PHE A 73 57.920 -19.780 -17.249 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.118 -15.811 -15.923 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.426 -18.162 -16.151 1.00 32.20 H new ATOM 1072 N GLU A 74 62.364 -14.255 -20.062 1.00 11.30 N ATOM 1073 CA GLU A 74 63.520 -13.418 -20.339 1.00 71.52 C ATOM 1074 C GLU A 74 63.831 -12.543 -19.132 1.00 63.42 C ATOM 1075 O GLU A 74 62.933 -12.172 -18.375 1.00 24.10 O ATOM 1076 CB GLU A 74 63.287 -12.550 -21.576 1.00 55.11 C ATOM 1077 CG GLU A 74 62.048 -11.675 -21.506 1.00 15.31 C ATOM 1078 CD GLU A 74 61.997 -10.671 -22.638 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.866 -11.089 -23.807 1.00 33.13 O ATOM 1080 OE2 GLU A 74 62.104 -9.460 -22.369 1.00 22.12 O ATOM 0 H GLU A 74 61.486 -13.744 -19.967 1.00 11.30 H new ATOM 0 HA GLU A 74 64.372 -14.068 -20.539 1.00 71.52 H new ATOM 0 HB2 GLU A 74 64.158 -11.913 -21.727 1.00 55.11 H new ATOM 0 HB3 GLU A 74 63.210 -13.197 -22.450 1.00 55.11 H new ATOM 0 HG2 GLU A 74 61.158 -12.304 -21.539 1.00 15.31 H new ATOM 0 HG3 GLU A 74 62.030 -11.147 -20.552 1.00 15.31 H new ATOM 1087 N MET A 75 65.103 -12.223 -18.953 1.00 1.12 N ATOM 1088 CA MET A 75 65.545 -11.482 -17.780 1.00 0.12 C ATOM 1089 C MET A 75 65.515 -9.977 -18.026 1.00 41.40 C ATOM 1090 O MET A 75 66.365 -9.438 -18.735 1.00 64.03 O ATOM 1091 CB MET A 75 66.959 -11.913 -17.387 1.00 65.23 C ATOM 1092 CG MET A 75 67.486 -11.210 -16.149 1.00 22.24 C ATOM 1093 SD MET A 75 69.214 -11.601 -15.806 1.00 62.41 S ATOM 1094 CE MET A 75 69.125 -13.374 -15.555 1.00 41.21 C ATOM 0 H MET A 75 65.849 -12.465 -19.605 1.00 1.12 H new ATOM 0 HA MET A 75 64.856 -11.707 -16.966 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.967 -12.989 -17.215 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.634 -11.718 -18.220 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.380 -10.133 -16.276 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.877 -11.491 -15.290 1.00 22.24 H new ATOM 0 HE1 MET A 75 70.130 -13.773 -15.421 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.529 -13.586 -14.667 1.00 41.21 H new ATOM 0 HE3 MET A 75 68.661 -13.842 -16.424 1.00 41.21 H new ATOM 1104 N VAL A 76 64.532 -9.308 -17.448 1.00 52.24 N ATOM 1105 CA VAL A 76 64.433 -7.859 -17.535 1.00 50.44 C ATOM 1106 C VAL A 76 64.487 -7.255 -16.138 1.00 33.40 C ATOM 1107 O VAL A 76 63.540 -7.376 -15.375 1.00 12.34 O ATOM 1108 CB VAL A 76 63.116 -7.423 -18.210 1.00 64.25 C ATOM 1109 CG1 VAL A 76 63.123 -5.929 -18.493 1.00 52.34 C ATOM 1110 CG2 VAL A 76 62.880 -8.215 -19.480 1.00 70.33 C ATOM 0 H VAL A 76 63.786 -9.748 -16.910 1.00 52.24 H new ATOM 0 HA VAL A 76 65.270 -7.506 -18.137 1.00 50.44 H new ATOM 0 HB VAL A 76 62.295 -7.630 -17.524 1.00 64.25 H new ATOM 0 HG11 VAL A 76 62.185 -5.644 -18.969 1.00 52.34 H new ATOM 0 HG12 VAL A 76 63.236 -5.382 -17.557 1.00 52.34 H new ATOM 0 HG13 VAL A 76 63.954 -5.688 -19.156 1.00 52.34 H new ATOM 0 HG21 VAL A 76 61.946 -7.893 -19.941 1.00 70.33 H new ATOM 0 HG22 VAL A 76 63.704 -8.046 -20.173 1.00 70.33 H new ATOM 0 HG23 VAL A 76 62.819 -9.277 -19.241 1.00 70.33 H new