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 -167:sc= -1.03 USER MOD Set 1.2: A 33 CYS SG : rot 174:sc= 1.91 USER MOD Set 1.3: A 63 CYS SG : rot 64:sc= -1.79! USER MOD Set 1.4: A 66 CYS SG : rot -117:sc= 1.65 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= -0.248 F(o=-1.7!,f=-0.25) USER MOD Single : A 37 TYR OH : rot -152:sc= 0.122 USER MOD Single : A 52 THR OG1 : rot 102:sc= 1.22 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 70 LYS NZ :NH3+ -153:sc= 1.38 (180deg=1.23) USER MOD Single : A 71 SER OG : rot -35:sc= 0.028 USER MOD Single : A 75 MET CE :methyl -137:sc= -0.259 (180deg=-0.523) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 65.815 -6.684 -7.627 1.00 42.41 N ATOM 351 CA TYR A 25 65.461 -8.039 -8.032 1.00 12.14 C ATOM 352 C TYR A 25 64.918 -8.011 -9.452 1.00 32.30 C ATOM 353 O TYR A 25 64.328 -7.017 -9.869 1.00 32.03 O ATOM 354 CB TYR A 25 64.432 -8.647 -7.081 1.00 42.40 C ATOM 355 CG TYR A 25 65.007 -9.146 -5.773 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.132 -8.301 -4.680 1.00 5.11 C ATOM 357 CD2 TYR A 25 65.404 -10.470 -5.627 1.00 12.22 C ATOM 358 CE1 TYR A 25 65.641 -8.755 -3.480 1.00 35.34 C ATOM 359 CE2 TYR A 25 65.911 -10.935 -4.426 1.00 74.12 C ATOM 360 CZ TYR A 25 66.026 -10.073 -3.356 1.00 72.10 C ATOM 361 OH TYR A 25 66.522 -10.531 -2.154 1.00 54.31 O ATOM 0 HA TYR A 25 66.354 -8.662 -7.994 1.00 12.14 H new ATOM 0 HB2 TYR A 25 63.668 -7.900 -6.866 1.00 42.40 H new ATOM 0 HB3 TYR A 25 63.935 -9.476 -7.585 1.00 42.40 H new ATOM 0 HD1 TYR A 25 64.826 -7.269 -4.770 1.00 5.11 H new ATOM 0 HD2 TYR A 25 65.315 -11.147 -6.464 1.00 12.22 H new ATOM 0 HE1 TYR A 25 65.737 -8.081 -2.642 1.00 35.34 H new ATOM 0 HE2 TYR A 25 66.215 -11.967 -4.328 1.00 74.12 H new ATOM 0 HH TYR A 25 66.746 -11.482 -2.233 1.00 54.31 H new ATOM 371 N LYS A 26 65.116 -9.086 -10.195 1.00 31.42 N ATOM 372 CA LYS A 26 64.794 -9.074 -11.609 1.00 10.43 C ATOM 373 C LYS A 26 63.380 -9.567 -11.885 1.00 64.22 C ATOM 374 O LYS A 26 62.765 -10.278 -11.070 1.00 33.23 O ATOM 375 CB LYS A 26 65.817 -9.887 -12.409 1.00 44.31 C ATOM 376 CG LYS A 26 67.098 -9.120 -12.729 1.00 40.14 C ATOM 377 CD LYS A 26 67.868 -8.740 -11.472 1.00 14.02 C ATOM 378 CE LYS A 26 69.024 -7.806 -11.788 1.00 14.41 C ATOM 379 NZ LYS A 26 69.773 -7.414 -10.565 1.00 2.34 N ATOM 0 H LYS A 26 65.494 -9.967 -9.847 1.00 31.42 H new ATOM 0 HA LYS A 26 64.841 -8.035 -11.936 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.073 -10.785 -11.847 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.358 -10.214 -13.342 1.00 44.31 H new ATOM 0 HG2 LYS A 26 67.733 -9.729 -13.372 1.00 40.14 H new ATOM 0 HG3 LYS A 26 66.850 -8.218 -13.288 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.194 -8.260 -10.763 1.00 14.02 H new ATOM 0 HD3 LYS A 26 68.248 -9.641 -10.991 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.703 -8.293 -12.488 1.00 14.41 H new ATOM 0 HE3 LYS A 26 68.643 -6.912 -12.282 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 70.553 -6.777 -10.825 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 69.132 -6.926 -9.907 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 70.159 -8.264 -10.107 1.00 2.34 H new ATOM 393 N LEU A 27 62.877 -9.148 -13.039 1.00 10.35 N ATOM 394 CA LEU A 27 61.561 -9.534 -13.508 1.00 63.42 C ATOM 395 C LEU A 27 61.694 -10.520 -14.661 1.00 12.52 C ATOM 396 O LEU A 27 62.245 -10.191 -15.708 1.00 23.11 O ATOM 397 CB LEU A 27 60.789 -8.302 -13.988 1.00 14.35 C ATOM 398 CG LEU A 27 60.710 -7.143 -12.992 1.00 74.43 C ATOM 399 CD1 LEU A 27 60.060 -5.933 -13.639 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.940 -7.553 -11.751 1.00 64.32 C ATOM 0 H LEU A 27 63.377 -8.528 -13.676 1.00 10.35 H new ATOM 0 HA LEU A 27 61.020 -10.001 -12.685 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.253 -7.939 -14.905 1.00 14.35 H new ATOM 0 HB3 LEU A 27 59.775 -8.608 -14.244 1.00 14.35 H new ATOM 0 HG LEU A 27 61.725 -6.878 -12.695 1.00 74.43 H new ATOM 0 HD11 LEU A 27 60.011 -5.117 -12.918 1.00 23.04 H new ATOM 0 HD12 LEU A 27 60.650 -5.621 -14.501 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.052 -6.191 -13.963 1.00 23.04 H new ATOM 0 HD21 LEU A 27 59.896 -6.714 -11.056 1.00 64.32 H new ATOM 0 HD22 LEU A 27 58.928 -7.846 -12.031 1.00 64.32 H new ATOM 0 HD23 LEU A 27 60.442 -8.394 -11.273 1.00 64.32 H new ATOM 412 N PHE A 28 61.211 -11.729 -14.468 1.00 1.00 N ATOM 413 CA PHE A 28 61.236 -12.721 -15.526 1.00 50.25 C ATOM 414 C PHE A 28 59.864 -12.839 -16.159 1.00 32.34 C ATOM 415 O PHE A 28 58.906 -13.281 -15.526 1.00 14.13 O ATOM 416 CB PHE A 28 61.722 -14.071 -15.005 1.00 13.43 C ATOM 417 CG PHE A 28 63.199 -14.086 -14.748 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.708 -13.675 -13.529 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.079 -14.500 -15.737 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.068 -13.677 -13.297 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.439 -14.501 -15.513 1.00 45.12 C ATOM 422 CZ PHE A 28 65.935 -14.090 -14.291 1.00 30.44 C ATOM 0 H PHE A 28 60.797 -12.049 -13.592 1.00 1.00 H new ATOM 0 HA PHE A 28 61.942 -12.395 -16.290 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.193 -14.314 -14.083 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.474 -14.847 -15.729 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.034 -13.349 -12.751 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.695 -14.825 -16.693 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.454 -13.357 -12.341 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.115 -14.822 -16.291 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.000 -14.091 -14.112 1.00 30.44 H new ATOM 432 N ARG A 29 59.776 -12.428 -17.409 1.00 72.21 N ATOM 433 CA ARG A 29 58.500 -12.370 -18.098 1.00 15.21 C ATOM 434 C ARG A 29 58.377 -13.488 -19.120 1.00 74.30 C ATOM 435 O ARG A 29 59.265 -13.692 -19.944 1.00 12.12 O ATOM 436 CB ARG A 29 58.328 -11.006 -18.770 1.00 53.45 C ATOM 437 CG ARG A 29 57.042 -10.868 -19.568 1.00 41.44 C ATOM 438 CD ARG A 29 56.820 -9.432 -20.019 1.00 1.41 C ATOM 439 NE ARG A 29 57.973 -8.888 -20.728 1.00 42.11 N ATOM 440 CZ ARG A 29 58.438 -7.651 -20.554 1.00 34.34 C ATOM 441 NH1 ARG A 29 57.893 -6.839 -19.654 1.00 14.43 N ATOM 442 NH2 ARG A 29 59.466 -7.233 -21.275 1.00 21.35 N ATOM 0 H ARG A 29 60.574 -12.129 -17.970 1.00 72.21 H new ATOM 0 HA ARG A 29 57.707 -12.504 -17.362 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.354 -10.230 -18.005 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.175 -10.829 -19.432 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.080 -11.523 -20.439 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.198 -11.195 -18.960 1.00 41.44 H new ATOM 0 HD2 ARG A 29 55.945 -9.389 -20.667 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.604 -8.810 -19.150 1.00 1.41 H new ATOM 0 HE ARG A 29 58.452 -9.490 -21.397 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.109 -7.160 -19.086 1.00 14.43 H new ATOM 0 HH12 ARG A 29 58.259 -5.895 -19.531 1.00 14.43 H new ATOM 0 HH21 ARG A 29 59.897 -7.856 -21.958 1.00 21.35 H new ATOM 0 HH22 ARG A 29 59.828 -6.288 -21.148 1.00 21.35 H new ATOM 456 N CYS A 30 57.277 -14.217 -19.046 1.00 53.14 N ATOM 457 CA CYS A 30 57.011 -15.296 -19.976 1.00 13.35 C ATOM 458 C CYS A 30 56.636 -14.729 -21.335 1.00 23.11 C ATOM 459 O CYS A 30 55.640 -14.023 -21.464 1.00 13.32 O ATOM 460 CB CYS A 30 55.878 -16.177 -19.450 1.00 24.13 C ATOM 461 SG CYS A 30 55.663 -17.726 -20.355 1.00 1.33 S ATOM 0 H CYS A 30 56.549 -14.078 -18.345 1.00 53.14 H new ATOM 0 HA CYS A 30 57.911 -15.902 -20.078 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.067 -16.405 -18.401 1.00 24.13 H new ATOM 0 HB3 CYS A 30 54.946 -15.613 -19.490 1.00 24.13 H new ATOM 0 HG CYS A 30 54.528 -18.268 -20.025 1.00 1.33 H new ATOM 466 N ILE A 31 57.419 -15.057 -22.350 1.00 13.20 N ATOM 467 CA ILE A 31 57.212 -14.513 -23.686 1.00 62.43 C ATOM 468 C ILE A 31 56.115 -15.279 -24.414 1.00 64.12 C ATOM 469 O ILE A 31 55.757 -14.952 -25.544 1.00 21.10 O ATOM 470 CB ILE A 31 58.509 -14.536 -24.528 1.00 61.10 C ATOM 471 CG1 ILE A 31 59.019 -15.975 -24.698 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.573 -13.659 -23.880 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.290 -16.083 -25.513 1.00 74.30 C ATOM 0 H ILE A 31 58.207 -15.700 -22.275 1.00 13.20 H new ATOM 0 HA ILE A 31 56.908 -13.474 -23.563 1.00 62.43 H new ATOM 0 HB ILE A 31 58.288 -14.137 -25.518 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.193 -16.407 -23.713 1.00 2.21 H new ATOM 0 HG13 ILE A 31 58.241 -16.572 -25.175 1.00 2.21 H new ATOM 0 HG21 ILE A 31 60.481 -13.684 -24.482 1.00 12.21 H new ATOM 0 HG22 ILE A 31 59.209 -12.634 -23.814 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.791 -14.031 -22.879 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.586 -17.129 -25.588 1.00 74.30 H new ATOM 0 HD12 ILE A 31 60.117 -15.682 -26.512 1.00 74.30 H new ATOM 0 HD13 ILE A 31 61.083 -15.515 -25.027 1.00 74.30 H new ATOM 485 N GLN A 32 55.581 -16.302 -23.757 1.00 51.33 N ATOM 486 CA GLN A 32 54.486 -17.078 -24.319 1.00 23.44 C ATOM 487 C GLN A 32 53.150 -16.407 -24.040 1.00 13.04 C ATOM 488 O GLN A 32 52.137 -16.746 -24.652 1.00 35.13 O ATOM 489 CB GLN A 32 54.471 -18.499 -23.747 1.00 55.24 C ATOM 490 CG GLN A 32 55.676 -19.338 -24.137 1.00 33.15 C ATOM 491 CD GLN A 32 55.866 -19.424 -25.636 1.00 11.55 C ATOM 492 OE1 GLN A 32 56.685 -18.537 -26.165 1.00 42.33 O flip ATOM 493 NE2 GLN A 32 55.307 -20.296 -26.302 1.00 22.30 N flip ATOM 0 H GLN A 32 55.889 -16.612 -22.835 1.00 51.33 H new ATOM 0 HA GLN A 32 54.641 -17.132 -25.397 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.419 -18.441 -22.660 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.566 -19.005 -24.083 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.572 -18.912 -23.685 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.561 -20.343 -23.731 1.00 33.15 H new ATOM 0 HE21 GLN A 32 54.681 -20.961 -25.848 1.00 22.30 H new ATOM 0 HE22 GLN A 32 55.470 -20.353 -27.307 1.00 22.30 H new ATOM 502 N CYS A 33 53.147 -15.457 -23.113 1.00 2.20 N ATOM 503 CA CYS A 33 51.908 -14.790 -22.729 1.00 22.24 C ATOM 504 C CYS A 33 52.159 -13.375 -22.223 1.00 72.42 C ATOM 505 O CYS A 33 51.617 -12.410 -22.760 1.00 22.31 O ATOM 506 CB CYS A 33 51.173 -15.616 -21.668 1.00 41.11 C ATOM 507 SG CYS A 33 52.206 -16.137 -20.273 1.00 25.30 S ATOM 0 H CYS A 33 53.978 -15.133 -22.618 1.00 2.20 H new ATOM 0 HA CYS A 33 51.283 -14.711 -23.619 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.336 -15.031 -21.286 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.752 -16.502 -22.143 1.00 41.11 H new ATOM 0 HG CYS A 33 51.463 -16.709 -19.373 1.00 25.30 H new ATOM 512 N GLY A 34 52.998 -13.251 -21.205 1.00 75.22 N ATOM 513 CA GLY A 34 53.248 -11.952 -20.613 1.00 61.15 C ATOM 514 C GLY A 34 53.292 -11.998 -19.098 1.00 41.20 C ATOM 515 O GLY A 34 53.349 -10.956 -18.448 1.00 65.41 O ATOM 0 H GLY A 34 53.509 -14.024 -20.779 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.194 -11.562 -20.988 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.470 -11.257 -20.929 1.00 61.15 H new ATOM 519 N PHE A 35 53.254 -13.204 -18.534 1.00 44.34 N ATOM 520 CA PHE A 35 53.359 -13.385 -17.090 1.00 63.14 C ATOM 521 C PHE A 35 54.706 -12.877 -16.586 1.00 62.11 C ATOM 522 O PHE A 35 55.752 -13.419 -16.945 1.00 22.11 O ATOM 523 CB PHE A 35 53.189 -14.865 -16.732 1.00 51.10 C ATOM 524 CG PHE A 35 53.415 -15.174 -15.276 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.442 -14.892 -14.332 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.605 -15.751 -14.854 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.649 -15.176 -12.997 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.817 -16.035 -13.520 1.00 63.43 C ATOM 529 CZ PHE A 35 53.838 -15.747 -12.590 1.00 22.21 C ATOM 0 H PHE A 35 53.151 -14.073 -19.059 1.00 44.34 H new ATOM 0 HA PHE A 35 52.568 -12.810 -16.609 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.183 -15.181 -17.008 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.884 -15.455 -17.330 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.510 -14.444 -14.644 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.373 -15.980 -15.577 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.881 -14.952 -12.271 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.748 -16.482 -13.204 1.00 63.43 H new ATOM 0 HZ PHE A 35 54.002 -15.968 -11.546 1.00 22.21 H new ATOM 539 N GLU A 36 54.675 -11.835 -15.771 1.00 21.30 N ATOM 540 CA GLU A 36 55.886 -11.248 -15.234 1.00 35.33 C ATOM 541 C GLU A 36 56.113 -11.679 -13.793 1.00 44.03 C ATOM 542 O GLU A 36 55.312 -11.386 -12.905 1.00 52.25 O ATOM 543 CB GLU A 36 55.805 -9.730 -15.339 1.00 30.54 C ATOM 544 CG GLU A 36 55.889 -9.243 -16.772 1.00 13.22 C ATOM 545 CD GLU A 36 55.653 -7.755 -16.923 1.00 51.45 C ATOM 546 OE1 GLU A 36 54.484 -7.325 -16.882 1.00 35.32 O ATOM 547 OE2 GLU A 36 56.638 -7.015 -17.120 1.00 54.43 O ATOM 0 H GLU A 36 53.816 -11.377 -15.467 1.00 21.30 H new ATOM 0 HA GLU A 36 56.736 -11.602 -15.818 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.870 -9.388 -14.896 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.614 -9.285 -14.759 1.00 30.54 H new ATOM 0 HG2 GLU A 36 56.872 -9.489 -17.173 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.156 -9.781 -17.373 1.00 13.22 H new ATOM 554 N TYR A 37 57.202 -12.397 -13.582 1.00 71.04 N ATOM 555 CA TYR A 37 57.585 -12.862 -12.255 1.00 2.31 C ATOM 556 C TYR A 37 58.656 -11.960 -11.652 1.00 2.10 C ATOM 557 O TYR A 37 59.716 -11.767 -12.241 1.00 33.24 O ATOM 558 CB TYR A 37 58.095 -14.308 -12.327 1.00 64.22 C ATOM 559 CG TYR A 37 58.830 -14.767 -11.079 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.139 -15.125 -9.927 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.219 -14.835 -11.056 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.813 -15.534 -8.789 1.00 32.50 C ATOM 563 CE2 TYR A 37 60.898 -15.242 -9.924 1.00 42.11 C ATOM 564 CZ TYR A 37 60.193 -15.592 -8.794 1.00 3.33 C ATOM 565 OH TYR A 37 60.871 -15.999 -7.665 1.00 35.44 O ATOM 0 H TYR A 37 57.846 -12.675 -14.322 1.00 71.04 H new ATOM 0 HA TYR A 37 56.704 -12.826 -11.614 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.249 -14.972 -12.503 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.761 -14.405 -13.185 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.060 -15.083 -9.920 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.777 -14.564 -11.940 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.262 -15.807 -7.901 1.00 32.50 H new ATOM 0 HE2 TYR A 37 61.977 -15.286 -9.925 1.00 42.11 H new ATOM 0 HH TYR A 37 61.759 -15.584 -7.649 1.00 35.44 H new ATOM 575 N ASP A 38 58.369 -11.410 -10.484 1.00 70.50 N ATOM 576 CA ASP A 38 59.340 -10.602 -9.754 1.00 10.30 C ATOM 577 C ASP A 38 60.026 -11.450 -8.691 1.00 4.53 C ATOM 578 O ASP A 38 59.352 -12.094 -7.881 1.00 73.13 O ATOM 579 CB ASP A 38 58.651 -9.398 -9.101 1.00 64.12 C ATOM 580 CG ASP A 38 59.538 -8.684 -8.095 1.00 45.13 C ATOM 581 OD1 ASP A 38 60.758 -8.591 -8.325 1.00 30.54 O ATOM 582 OD2 ASP A 38 59.013 -8.242 -7.053 1.00 51.42 O ATOM 0 H ASP A 38 57.468 -11.507 -10.017 1.00 70.50 H new ATOM 0 HA ASP A 38 60.089 -10.236 -10.456 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.349 -8.694 -9.876 1.00 64.12 H new ATOM 0 HB3 ASP A 38 57.741 -9.732 -8.603 1.00 64.12 H new ATOM 587 N GLU A 39 61.357 -11.462 -8.700 1.00 21.24 N ATOM 588 CA GLU A 39 62.113 -12.235 -7.714 1.00 73.35 C ATOM 589 C GLU A 39 61.886 -11.702 -6.295 1.00 61.05 C ATOM 590 O GLU A 39 61.973 -12.454 -5.317 1.00 14.23 O ATOM 591 CB GLU A 39 63.608 -12.219 -8.039 1.00 3.15 C ATOM 592 CG GLU A 39 63.973 -12.923 -9.332 1.00 2.32 C ATOM 593 CD GLU A 39 65.471 -12.994 -9.547 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.102 -11.929 -9.756 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.024 -14.113 -9.513 1.00 61.24 O ATOM 0 H GLU A 39 61.931 -10.951 -9.371 1.00 21.24 H new ATOM 0 HA GLU A 39 61.751 -13.262 -7.760 1.00 73.35 H new ATOM 0 HB2 GLU A 39 63.945 -11.184 -8.095 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.151 -12.687 -7.218 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.562 -13.932 -9.322 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.513 -12.400 -10.170 1.00 2.32 H new ATOM 602 N ALA A 40 61.584 -10.413 -6.184 1.00 41.21 N ATOM 603 CA ALA A 40 61.398 -9.789 -4.880 1.00 41.44 C ATOM 604 C ALA A 40 60.035 -10.127 -4.286 1.00 73.14 C ATOM 605 O ALA A 40 59.908 -10.295 -3.076 1.00 63.31 O ATOM 606 CB ALA A 40 61.570 -8.281 -4.981 1.00 64.54 C ATOM 0 H ALA A 40 61.463 -9.783 -6.977 1.00 41.21 H new ATOM 0 HA ALA A 40 62.161 -10.188 -4.212 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.428 -7.832 -3.998 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.573 -8.053 -5.343 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.833 -7.876 -5.675 1.00 64.54 H new ATOM 612 N LEU A 41 59.024 -10.212 -5.140 1.00 35.01 N ATOM 613 CA LEU A 41 57.668 -10.524 -4.706 1.00 43.03 C ATOM 614 C LEU A 41 57.478 -12.030 -4.539 1.00 41.24 C ATOM 615 O LEU A 41 56.866 -12.489 -3.568 1.00 5.12 O ATOM 616 CB LEU A 41 56.655 -9.985 -5.722 1.00 54.42 C ATOM 617 CG LEU A 41 55.182 -10.186 -5.354 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.820 -9.368 -4.128 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.286 -9.812 -6.521 1.00 50.10 C ATOM 0 H LEU A 41 59.118 -10.068 -6.145 1.00 35.01 H new ATOM 0 HA LEU A 41 57.503 -10.047 -3.740 1.00 43.03 H new ATOM 0 HB2 LEU A 41 56.835 -8.919 -5.858 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.840 -10.465 -6.683 1.00 54.42 H new ATOM 0 HG LEU A 41 55.029 -11.240 -5.123 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.769 -9.525 -3.883 1.00 54.05 H new ATOM 0 HD12 LEU A 41 55.439 -9.680 -3.287 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.991 -8.311 -4.332 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.243 -9.961 -6.241 1.00 50.10 H new ATOM 0 HD22 LEU A 41 54.446 -8.766 -6.782 1.00 50.10 H new ATOM 0 HD23 LEU A 41 54.525 -10.440 -7.379 1.00 50.10 H new ATOM 631 N GLY A 42 58.008 -12.790 -5.488 1.00 60.35 N ATOM 632 CA GLY A 42 57.861 -14.229 -5.455 1.00 65.42 C ATOM 633 C GLY A 42 56.539 -14.678 -6.049 1.00 1.31 C ATOM 634 O GLY A 42 55.902 -13.936 -6.798 1.00 22.32 O ATOM 0 H GLY A 42 58.539 -12.433 -6.282 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.681 -14.690 -6.005 1.00 65.42 H new ATOM 0 HA3 GLY A 42 57.933 -14.577 -4.425 1.00 65.42 H new ATOM 638 N TRP A 43 56.120 -15.885 -5.712 1.00 34.01 N ATOM 639 CA TRP A 43 54.848 -16.417 -6.175 1.00 72.13 C ATOM 640 C TRP A 43 54.316 -17.405 -5.142 1.00 1.53 C ATOM 641 O TRP A 43 54.542 -18.614 -5.240 1.00 0.54 O ATOM 642 CB TRP A 43 55.000 -17.087 -7.547 1.00 22.21 C ATOM 643 CG TRP A 43 53.694 -17.467 -8.180 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.193 -18.726 -8.331 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.724 -16.583 -8.748 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.973 -18.681 -8.952 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.660 -17.375 -9.221 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.649 -15.195 -8.904 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.537 -16.825 -9.838 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.534 -14.651 -9.515 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.491 -15.465 -9.976 1.00 72.01 C ATOM 0 H TRP A 43 56.647 -16.521 -5.114 1.00 34.01 H new ATOM 0 HA TRP A 43 54.137 -15.599 -6.290 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.534 -16.411 -8.215 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.615 -17.980 -7.439 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.688 -19.630 -8.007 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.392 -19.489 -9.177 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.448 -14.559 -8.553 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.732 -17.451 -10.194 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.466 -13.580 -9.639 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.634 -15.010 -10.450 1.00 72.01 H new ATOM 662 N PRO A 44 53.610 -16.888 -4.124 1.00 45.41 N ATOM 663 CA PRO A 44 53.156 -17.682 -2.975 1.00 41.22 C ATOM 664 C PRO A 44 52.099 -18.701 -3.362 1.00 43.31 C ATOM 665 O PRO A 44 51.864 -19.673 -2.646 1.00 52.04 O ATOM 666 CB PRO A 44 52.558 -16.648 -2.009 1.00 1.41 C ATOM 667 CG PRO A 44 52.931 -15.308 -2.551 1.00 43.31 C ATOM 668 CD PRO A 44 53.185 -15.486 -4.019 1.00 12.02 C ATOM 0 HA PRO A 44 53.976 -18.255 -2.543 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.475 -16.755 -1.946 1.00 1.41 H new ATOM 0 HB3 PRO A 44 52.951 -16.784 -1.001 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.131 -14.587 -2.382 1.00 43.31 H new ATOM 0 HG3 PRO A 44 53.819 -14.922 -2.050 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.288 -15.293 -4.608 1.00 12.02 H new ATOM 0 HD3 PRO A 44 53.956 -14.805 -4.379 1.00 12.02 H new ATOM 676 N GLU A 45 51.464 -18.464 -4.499 1.00 52.10 N ATOM 677 CA GLU A 45 50.445 -19.366 -5.016 1.00 33.11 C ATOM 678 C GLU A 45 51.036 -20.750 -5.293 1.00 32.45 C ATOM 679 O GLU A 45 50.373 -21.773 -5.106 1.00 53.21 O ATOM 680 CB GLU A 45 49.833 -18.792 -6.297 1.00 63.41 C ATOM 681 CG GLU A 45 49.443 -17.323 -6.192 1.00 44.43 C ATOM 682 CD GLU A 45 48.519 -17.031 -5.024 1.00 32.53 C ATOM 683 OE1 GLU A 45 47.300 -17.259 -5.154 1.00 61.31 O ATOM 684 OE2 GLU A 45 49.011 -16.556 -3.978 1.00 63.33 O ATOM 0 H GLU A 45 51.638 -17.648 -5.086 1.00 52.10 H new ATOM 0 HA GLU A 45 49.664 -19.468 -4.263 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.546 -18.911 -7.113 1.00 63.41 H new ATOM 0 HB3 GLU A 45 48.949 -19.374 -6.558 1.00 63.41 H new ATOM 0 HG2 GLU A 45 50.346 -16.720 -6.092 1.00 44.43 H new ATOM 0 HG3 GLU A 45 48.956 -17.016 -7.118 1.00 44.43 H new ATOM 691 N ASP A 46 52.290 -20.777 -5.731 1.00 54.25 N ATOM 692 CA ASP A 46 52.970 -22.037 -6.022 1.00 30.40 C ATOM 693 C ASP A 46 53.874 -22.446 -4.864 1.00 61.32 C ATOM 694 O ASP A 46 54.194 -23.621 -4.692 1.00 73.23 O ATOM 695 CB ASP A 46 53.797 -21.914 -7.306 1.00 23.20 C ATOM 696 CG ASP A 46 54.429 -23.225 -7.727 1.00 70.52 C ATOM 697 OD1 ASP A 46 53.714 -24.071 -8.304 1.00 44.22 O ATOM 698 OD2 ASP A 46 55.642 -23.400 -7.514 1.00 44.11 O ATOM 0 H ASP A 46 52.856 -19.944 -5.892 1.00 54.25 H new ATOM 0 HA ASP A 46 52.210 -22.806 -6.159 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.158 -21.549 -8.110 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.580 -21.170 -7.158 1.00 23.20 H new ATOM 703 N GLY A 47 54.260 -21.469 -4.055 1.00 73.12 N ATOM 704 CA GLY A 47 55.128 -21.740 -2.927 1.00 12.11 C ATOM 705 C GLY A 47 56.434 -20.978 -3.014 1.00 64.11 C ATOM 706 O GLY A 47 57.271 -21.057 -2.112 1.00 22.42 O ATOM 0 H GLY A 47 53.987 -20.492 -4.160 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.615 -21.473 -2.003 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.336 -22.809 -2.879 1.00 12.11 H new ATOM 710 N ILE A 48 56.608 -20.239 -4.100 1.00 0.01 N ATOM 711 CA ILE A 48 57.819 -19.458 -4.311 1.00 25.24 C ATOM 712 C ILE A 48 57.809 -18.236 -3.397 1.00 62.01 C ATOM 713 O ILE A 48 56.977 -17.343 -3.552 1.00 62.43 O ATOM 714 CB ILE A 48 57.948 -19.002 -5.783 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.873 -20.203 -6.733 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.246 -18.232 -5.992 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.974 -21.225 -6.526 1.00 43.03 C ATOM 0 H ILE A 48 55.923 -20.164 -4.852 1.00 0.01 H new ATOM 0 HA ILE A 48 58.674 -20.092 -4.075 1.00 25.24 H new ATOM 0 HB ILE A 48 57.114 -18.338 -6.009 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.908 -20.694 -6.606 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.915 -19.843 -7.761 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.320 -17.919 -7.034 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.255 -17.353 -5.347 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.093 -18.872 -5.745 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.850 -22.042 -7.236 1.00 43.03 H new ATOM 0 HD12 ILE A 48 59.944 -20.752 -6.683 1.00 43.03 H new ATOM 0 HD13 ILE A 48 58.921 -21.616 -5.510 1.00 43.03 H new ATOM 729 N ALA A 49 58.724 -18.202 -2.444 1.00 31.20 N ATOM 730 CA ALA A 49 58.743 -17.136 -1.454 1.00 5.11 C ATOM 731 C ALA A 49 59.474 -15.902 -1.971 1.00 32.55 C ATOM 732 O ALA A 49 60.371 -15.998 -2.819 1.00 44.13 O ATOM 733 CB ALA A 49 59.379 -17.621 -0.162 1.00 50.42 C ATOM 0 H ALA A 49 59.462 -18.897 -2.334 1.00 31.20 H new ATOM 0 HA ALA A 49 57.709 -16.853 -1.256 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.385 -16.811 0.567 1.00 50.42 H new ATOM 0 HB2 ALA A 49 58.806 -18.460 0.233 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.403 -17.940 -0.358 1.00 50.42 H new ATOM 739 N ALA A 50 59.081 -14.747 -1.456 1.00 43.33 N ATOM 740 CA ALA A 50 59.718 -13.488 -1.807 1.00 31.42 C ATOM 741 C ALA A 50 61.216 -13.559 -1.537 1.00 65.35 C ATOM 742 O ALA A 50 61.638 -13.841 -0.413 1.00 33.24 O ATOM 743 CB ALA A 50 59.088 -12.353 -1.015 1.00 12.13 C ATOM 0 H ALA A 50 58.316 -14.656 -0.787 1.00 43.33 H new ATOM 0 HA ALA A 50 59.570 -13.300 -2.870 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.569 -11.412 -1.282 1.00 12.13 H new ATOM 0 HB2 ALA A 50 58.024 -12.295 -1.246 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.218 -12.537 0.051 1.00 12.13 H new ATOM 749 N GLY A 51 62.018 -13.335 -2.570 1.00 23.11 N ATOM 750 CA GLY A 51 63.453 -13.412 -2.407 1.00 51.21 C ATOM 751 C GLY A 51 64.041 -14.653 -3.048 1.00 12.22 C ATOM 752 O GLY A 51 65.266 -14.815 -3.090 1.00 44.15 O ATOM 0 H GLY A 51 61.701 -13.103 -3.511 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.914 -12.527 -2.845 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.696 -13.405 -1.345 1.00 51.21 H new ATOM 756 N THR A 52 63.177 -15.545 -3.527 1.00 34.23 N ATOM 757 CA THR A 52 63.638 -16.724 -4.247 1.00 72.11 C ATOM 758 C THR A 52 64.205 -16.322 -5.603 1.00 32.45 C ATOM 759 O THR A 52 63.556 -15.616 -6.377 1.00 11.25 O ATOM 760 CB THR A 52 62.499 -17.750 -4.441 1.00 4.53 C ATOM 761 OG1 THR A 52 61.912 -18.077 -3.175 1.00 61.21 O ATOM 762 CG2 THR A 52 63.014 -19.024 -5.096 1.00 63.31 C ATOM 0 H THR A 52 62.164 -15.473 -3.430 1.00 34.23 H new ATOM 0 HA THR A 52 64.420 -17.193 -3.650 1.00 72.11 H new ATOM 0 HB THR A 52 61.750 -17.299 -5.092 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.063 -17.597 -3.074 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.191 -19.728 -5.220 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.438 -18.786 -6.072 1.00 63.31 H new ATOM 0 HG23 THR A 52 63.782 -19.472 -4.466 1.00 63.31 H new ATOM 770 N ARG A 53 65.425 -16.766 -5.873 1.00 11.11 N ATOM 771 CA ARG A 53 66.107 -16.434 -7.109 1.00 1.42 C ATOM 772 C ARG A 53 65.663 -17.350 -8.234 1.00 24.11 C ATOM 773 O ARG A 53 65.232 -18.480 -7.994 1.00 33.21 O ATOM 774 CB ARG A 53 67.619 -16.560 -6.929 1.00 42.33 C ATOM 775 CG ARG A 53 68.258 -15.373 -6.234 1.00 70.11 C ATOM 776 CD ARG A 53 68.389 -14.195 -7.182 1.00 62.02 C ATOM 777 NE ARG A 53 69.151 -14.551 -8.382 1.00 73.44 N ATOM 778 CZ ARG A 53 69.414 -13.711 -9.377 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.982 -12.458 -9.329 1.00 5.03 N ATOM 780 NH2 ARG A 53 70.099 -14.134 -10.428 1.00 20.33 N ATOM 0 H ARG A 53 65.964 -17.362 -5.244 1.00 11.11 H new ATOM 0 HA ARG A 53 65.852 -15.406 -7.366 1.00 1.42 H new ATOM 0 HB2 ARG A 53 67.832 -17.462 -6.355 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.082 -16.687 -7.908 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.657 -15.085 -5.371 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.242 -15.653 -5.858 1.00 70.11 H new ATOM 0 HD2 ARG A 53 67.397 -13.847 -7.470 1.00 62.02 H new ATOM 0 HD3 ARG A 53 68.881 -13.368 -6.670 1.00 62.02 H new ATOM 0 HE ARG A 53 69.502 -15.506 -8.458 1.00 73.44 H new ATOM 0 HH11 ARG A 53 68.444 -12.134 -8.525 1.00 5.03 H new ATOM 0 HH12 ARG A 53 69.187 -11.818 -10.096 1.00 5.03 H new ATOM 0 HH21 ARG A 53 70.422 -15.101 -10.471 1.00 20.33 H new ATOM 0 HH22 ARG A 53 70.304 -13.493 -11.195 1.00 20.33 H new ATOM 794 N TRP A 54 65.786 -16.861 -9.454 1.00 75.02 N ATOM 795 CA TRP A 54 65.530 -17.669 -10.638 1.00 4.51 C ATOM 796 C TRP A 54 66.480 -18.864 -10.663 1.00 51.50 C ATOM 797 O TRP A 54 66.181 -19.908 -11.246 1.00 53.22 O ATOM 798 CB TRP A 54 65.713 -16.813 -11.892 1.00 14.02 C ATOM 799 CG TRP A 54 65.137 -17.424 -13.133 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.825 -17.906 -14.208 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.749 -17.607 -13.428 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.948 -18.370 -15.159 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.667 -18.199 -14.701 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.566 -17.325 -12.739 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.451 -18.516 -15.296 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.359 -17.640 -13.332 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.310 -18.230 -14.598 1.00 44.10 C ATOM 0 H TRP A 54 66.064 -15.900 -9.654 1.00 75.02 H new ATOM 0 HA TRP A 54 64.505 -18.040 -10.612 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.248 -15.841 -11.728 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.777 -16.635 -12.047 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.901 -17.921 -14.298 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.208 -18.775 -16.058 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.595 -16.869 -11.760 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.409 -18.972 -16.274 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.438 -17.427 -12.809 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.351 -18.465 -15.035 1.00 44.10 H new ATOM 818 N ASP A 55 67.628 -18.689 -10.009 1.00 34.41 N ATOM 819 CA ASP A 55 68.626 -19.743 -9.869 1.00 13.53 C ATOM 820 C ASP A 55 68.096 -20.876 -9.000 1.00 43.20 C ATOM 821 O ASP A 55 68.361 -22.049 -9.263 1.00 13.14 O ATOM 822 CB ASP A 55 69.908 -19.197 -9.228 1.00 34.21 C ATOM 823 CG ASP A 55 70.475 -17.995 -9.951 1.00 1.12 C ATOM 824 OD1 ASP A 55 71.270 -18.178 -10.896 1.00 31.22 O ATOM 825 OD2 ASP A 55 70.135 -16.856 -9.568 1.00 31.21 O ATOM 0 H ASP A 55 67.890 -17.811 -9.562 1.00 34.41 H new ATOM 0 HA ASP A 55 68.846 -20.118 -10.869 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.701 -18.925 -8.193 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.659 -19.986 -9.206 1.00 34.21 H new ATOM 830 N ASP A 56 67.352 -20.512 -7.956 1.00 74.00 N ATOM 831 CA ASP A 56 66.824 -21.490 -7.007 1.00 13.50 C ATOM 832 C ASP A 56 65.667 -22.245 -7.637 1.00 35.01 C ATOM 833 O ASP A 56 65.459 -23.428 -7.369 1.00 73.34 O ATOM 834 CB ASP A 56 66.333 -20.815 -5.717 1.00 10.43 C ATOM 835 CG ASP A 56 67.392 -19.981 -5.021 1.00 24.32 C ATOM 836 OD1 ASP A 56 68.468 -20.522 -4.684 1.00 45.42 O ATOM 837 OD2 ASP A 56 67.136 -18.782 -4.774 1.00 73.21 O ATOM 0 H ASP A 56 67.101 -19.546 -7.746 1.00 74.00 H new ATOM 0 HA ASP A 56 67.632 -22.176 -6.755 1.00 13.50 H new ATOM 0 HB2 ASP A 56 65.480 -20.179 -5.953 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.978 -21.582 -5.029 1.00 10.43 H new ATOM 842 N ILE A 57 64.911 -21.543 -8.468 1.00 54.25 N ATOM 843 CA ILE A 57 63.776 -22.127 -9.162 1.00 24.31 C ATOM 844 C ILE A 57 64.233 -23.227 -10.122 1.00 43.24 C ATOM 845 O ILE A 57 65.046 -22.981 -11.014 1.00 14.33 O ATOM 846 CB ILE A 57 62.992 -21.049 -9.942 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.416 -20.016 -8.971 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.882 -21.680 -10.769 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.650 -18.900 -9.646 1.00 14.05 C ATOM 0 H ILE A 57 65.067 -20.557 -8.679 1.00 54.25 H new ATOM 0 HA ILE A 57 63.119 -22.564 -8.410 1.00 24.31 H new ATOM 0 HB ILE A 57 63.678 -20.547 -10.625 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.756 -20.522 -8.267 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.231 -19.584 -8.390 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.344 -20.902 -11.310 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.314 -22.384 -11.481 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.192 -22.207 -10.110 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.273 -18.209 -8.892 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.311 -18.366 -10.329 1.00 14.05 H new ATOM 0 HD13 ILE A 57 60.813 -19.319 -10.204 1.00 14.05 H new ATOM 861 N PRO A 58 63.720 -24.455 -9.940 1.00 63.44 N ATOM 862 CA PRO A 58 64.085 -25.602 -10.776 1.00 3.44 C ATOM 863 C PRO A 58 63.578 -25.457 -12.207 1.00 51.00 C ATOM 864 O PRO A 58 62.535 -24.850 -12.452 1.00 45.01 O ATOM 865 CB PRO A 58 63.396 -26.795 -10.097 1.00 24.00 C ATOM 866 CG PRO A 58 62.941 -26.303 -8.764 1.00 73.11 C ATOM 867 CD PRO A 58 62.739 -24.824 -8.909 1.00 50.42 C ATOM 0 HA PRO A 58 65.167 -25.708 -10.854 1.00 3.44 H new ATOM 0 HB2 PRO A 58 62.553 -27.149 -10.691 1.00 24.00 H new ATOM 0 HB3 PRO A 58 64.084 -27.633 -9.989 1.00 24.00 H new ATOM 0 HG2 PRO A 58 62.016 -26.794 -8.463 1.00 73.11 H new ATOM 0 HG3 PRO A 58 63.682 -26.521 -7.995 1.00 73.11 H new ATOM 0 HD2 PRO A 58 61.721 -24.584 -9.216 1.00 50.42 H new ATOM 0 HD3 PRO A 58 62.921 -24.298 -7.972 1.00 50.42 H new ATOM 875 N ASP A 59 64.306 -26.040 -13.152 1.00 25.01 N ATOM 876 CA ASP A 59 63.911 -26.001 -14.557 1.00 41.44 C ATOM 877 C ASP A 59 62.702 -26.901 -14.789 1.00 34.41 C ATOM 878 O ASP A 59 62.105 -26.902 -15.867 1.00 72.22 O ATOM 879 CB ASP A 59 65.072 -26.417 -15.467 1.00 1.55 C ATOM 880 CG ASP A 59 65.454 -27.875 -15.318 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.121 -28.222 -14.321 1.00 4.21 O ATOM 882 OD2 ASP A 59 65.089 -28.684 -16.201 1.00 11.32 O ATOM 0 H ASP A 59 65.173 -26.546 -12.972 1.00 25.01 H new ATOM 0 HA ASP A 59 63.639 -24.975 -14.807 1.00 41.44 H new ATOM 0 HB2 ASP A 59 64.799 -26.224 -16.504 1.00 1.55 H new ATOM 0 HB3 ASP A 59 65.940 -25.796 -15.245 1.00 1.55 H new ATOM 887 N ASP A 60 62.353 -27.667 -13.763 1.00 32.43 N ATOM 888 CA ASP A 60 61.153 -28.494 -13.777 1.00 54.13 C ATOM 889 C ASP A 60 59.932 -27.671 -13.381 1.00 24.24 C ATOM 890 O ASP A 60 58.815 -28.188 -13.322 1.00 12.35 O ATOM 891 CB ASP A 60 61.303 -29.678 -12.818 1.00 23.23 C ATOM 892 CG ASP A 60 62.239 -30.743 -13.341 1.00 23.22 C ATOM 893 OD1 ASP A 60 63.462 -30.634 -13.111 1.00 42.45 O ATOM 894 OD2 ASP A 60 61.755 -31.704 -13.973 1.00 70.35 O ATOM 0 H ASP A 60 62.892 -27.732 -12.900 1.00 32.43 H new ATOM 0 HA ASP A 60 61.017 -28.872 -14.790 1.00 54.13 H new ATOM 0 HB2 ASP A 60 61.672 -29.317 -11.858 1.00 23.23 H new ATOM 0 HB3 ASP A 60 60.323 -30.119 -12.638 1.00 23.23 H new ATOM 899 N TRP A 61 60.156 -26.394 -13.094 1.00 5.24 N ATOM 900 CA TRP A 61 59.078 -25.487 -12.728 1.00 42.43 C ATOM 901 C TRP A 61 58.541 -24.783 -13.970 1.00 33.21 C ATOM 902 O TRP A 61 59.282 -24.089 -14.670 1.00 22.24 O ATOM 903 CB TRP A 61 59.588 -24.460 -11.713 1.00 54.42 C ATOM 904 CG TRP A 61 58.542 -23.517 -11.198 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.632 -23.764 -10.214 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.314 -22.167 -11.622 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.854 -22.658 -9.998 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.250 -21.664 -10.850 1.00 14.21 C ATOM 909 CE3 TRP A 61 58.903 -21.336 -12.578 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.766 -20.368 -11.001 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.421 -20.048 -12.726 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.361 -19.576 -11.943 1.00 25.01 C ATOM 0 H TRP A 61 61.080 -25.963 -13.108 1.00 5.24 H new ATOM 0 HA TRP A 61 58.268 -26.059 -12.276 1.00 42.43 H new ATOM 0 HB2 TRP A 61 60.027 -24.991 -10.868 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.387 -23.879 -12.174 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.538 -24.698 -9.681 1.00 30.52 H new ATOM 0 HE1 TRP A 61 56.102 -22.587 -9.313 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.719 -21.692 -13.190 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.950 -20.001 -10.396 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 58.871 -19.395 -13.459 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.006 -18.566 -12.086 1.00 25.01 H new ATOM 923 N SER A 62 57.263 -24.980 -14.248 1.00 54.20 N ATOM 924 CA SER A 62 56.626 -24.349 -15.390 1.00 3.30 C ATOM 925 C SER A 62 55.906 -23.074 -14.973 1.00 13.23 C ATOM 926 O SER A 62 55.546 -22.904 -13.807 1.00 63.43 O ATOM 927 CB SER A 62 55.640 -25.320 -16.044 1.00 63.43 C ATOM 928 OG SER A 62 54.934 -26.065 -15.064 1.00 64.32 O ATOM 0 H SER A 62 56.645 -25.574 -13.696 1.00 54.20 H new ATOM 0 HA SER A 62 57.399 -24.085 -16.112 1.00 3.30 H new ATOM 0 HB2 SER A 62 54.934 -24.766 -16.663 1.00 63.43 H new ATOM 0 HB3 SER A 62 56.178 -26.000 -16.705 1.00 63.43 H new ATOM 0 HG SER A 62 54.309 -26.677 -15.506 1.00 64.32 H new ATOM 934 N CYS A 63 55.714 -22.181 -15.935 1.00 24.15 N ATOM 935 CA CYS A 63 54.970 -20.949 -15.721 1.00 63.43 C ATOM 936 C CYS A 63 53.557 -21.258 -15.232 1.00 24.51 C ATOM 937 O CYS A 63 52.795 -21.932 -15.918 1.00 44.14 O ATOM 938 CB CYS A 63 54.908 -20.152 -17.027 1.00 63.12 C ATOM 939 SG CYS A 63 53.918 -18.640 -16.945 1.00 13.20 S ATOM 0 H CYS A 63 56.070 -22.291 -16.885 1.00 24.15 H new ATOM 0 HA CYS A 63 55.479 -20.357 -14.960 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.923 -19.889 -17.325 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.502 -20.794 -17.809 1.00 63.12 H new ATOM 0 HG CYS A 63 54.464 -17.808 -16.108 1.00 13.20 H new ATOM 944 N PRO A 64 53.189 -20.763 -14.043 1.00 12.23 N ATOM 945 CA PRO A 64 51.858 -20.994 -13.458 1.00 52.51 C ATOM 946 C PRO A 64 50.729 -20.377 -14.287 1.00 52.22 C ATOM 947 O PRO A 64 49.547 -20.631 -14.039 1.00 21.33 O ATOM 948 CB PRO A 64 51.945 -20.311 -12.087 1.00 2.43 C ATOM 949 CG PRO A 64 53.066 -19.341 -12.203 1.00 63.34 C ATOM 950 CD PRO A 64 54.044 -19.953 -13.160 1.00 75.23 C ATOM 0 HA PRO A 64 51.622 -22.057 -13.410 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.012 -19.806 -11.839 1.00 2.43 H new ATOM 0 HB3 PRO A 64 52.134 -21.038 -11.297 1.00 2.43 H new ATOM 0 HG2 PRO A 64 52.712 -18.378 -12.570 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.529 -19.162 -11.233 1.00 63.34 H new ATOM 0 HD2 PRO A 64 54.592 -19.193 -13.717 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.784 -20.565 -12.644 1.00 75.23 H new ATOM 958 N ASP A 65 51.099 -19.567 -15.268 1.00 62.43 N ATOM 959 CA ASP A 65 50.129 -18.896 -16.123 1.00 4.14 C ATOM 960 C ASP A 65 49.715 -19.785 -17.295 1.00 73.14 C ATOM 961 O ASP A 65 48.534 -20.089 -17.467 1.00 75.43 O ATOM 962 CB ASP A 65 50.714 -17.581 -16.639 1.00 75.11 C ATOM 963 CG ASP A 65 49.774 -16.846 -17.573 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.935 -16.067 -17.081 1.00 12.44 O ATOM 965 OD2 ASP A 65 49.889 -17.034 -18.799 1.00 62.34 O ATOM 0 H ASP A 65 52.071 -19.357 -15.493 1.00 62.43 H new ATOM 0 HA ASP A 65 49.238 -18.687 -15.530 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.953 -16.938 -15.792 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.650 -17.784 -17.159 1.00 75.11 H new ATOM 970 N CYS A 66 50.688 -20.210 -18.089 1.00 24.23 N ATOM 971 CA CYS A 66 50.404 -20.999 -19.286 1.00 44.35 C ATOM 972 C CYS A 66 51.042 -22.387 -19.220 1.00 61.50 C ATOM 973 O CYS A 66 50.549 -23.337 -19.826 1.00 33.10 O ATOM 974 CB CYS A 66 50.905 -20.250 -20.517 1.00 11.53 C ATOM 975 SG CYS A 66 52.620 -19.695 -20.379 1.00 2.42 S ATOM 0 H CYS A 66 51.678 -20.024 -17.929 1.00 24.23 H new ATOM 0 HA CYS A 66 49.325 -21.140 -19.349 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.810 -20.897 -21.389 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.265 -19.385 -20.691 1.00 11.53 H new ATOM 0 HG CYS A 66 52.660 -18.396 -20.415 1.00 2.42 H new ATOM 980 N GLY A 67 52.130 -22.505 -18.474 1.00 11.35 N ATOM 981 CA GLY A 67 52.836 -23.770 -18.385 1.00 2.21 C ATOM 982 C GLY A 67 54.107 -23.788 -19.208 1.00 45.15 C ATOM 983 O GLY A 67 54.747 -24.831 -19.341 1.00 12.15 O ATOM 0 H GLY A 67 52.539 -21.747 -17.927 1.00 11.35 H new ATOM 0 HA2 GLY A 67 53.080 -23.973 -17.342 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.179 -24.573 -18.720 1.00 2.21 H new ATOM 987 N ALA A 68 54.469 -22.642 -19.774 1.00 3.21 N ATOM 988 CA ALA A 68 55.716 -22.523 -20.521 1.00 51.33 C ATOM 989 C ALA A 68 56.906 -22.724 -19.592 1.00 24.02 C ATOM 990 O ALA A 68 56.809 -22.474 -18.391 1.00 24.41 O ATOM 991 CB ALA A 68 55.796 -21.172 -21.212 1.00 22.41 C ATOM 0 H ALA A 68 53.919 -21.784 -19.730 1.00 3.21 H new ATOM 0 HA ALA A 68 55.740 -23.298 -21.287 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.733 -21.101 -21.764 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.959 -21.066 -21.902 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.754 -20.379 -20.466 1.00 22.41 H new ATOM 997 N ALA A 69 58.019 -23.176 -20.144 1.00 63.43 N ATOM 998 CA ALA A 69 59.189 -23.490 -19.342 1.00 14.25 C ATOM 999 C ALA A 69 60.008 -22.239 -19.052 1.00 45.14 C ATOM 1000 O ALA A 69 59.732 -21.169 -19.594 1.00 64.45 O ATOM 1001 CB ALA A 69 60.041 -24.531 -20.048 1.00 43.25 C ATOM 0 H ALA A 69 58.137 -23.334 -21.145 1.00 63.43 H new ATOM 0 HA ALA A 69 58.851 -23.896 -18.389 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.915 -24.759 -19.439 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.456 -25.439 -20.198 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.363 -24.143 -21.014 1.00 43.25 H new ATOM 1007 N LYS A 70 61.017 -22.384 -18.200 1.00 44.04 N ATOM 1008 CA LYS A 70 61.915 -21.276 -17.868 1.00 2.40 C ATOM 1009 C LYS A 70 62.573 -20.706 -19.123 1.00 33.52 C ATOM 1010 O LYS A 70 62.844 -19.506 -19.209 1.00 53.10 O ATOM 1011 CB LYS A 70 62.992 -21.737 -16.881 1.00 2.20 C ATOM 1012 CG LYS A 70 62.447 -22.145 -15.521 1.00 4.42 C ATOM 1013 CD LYS A 70 63.553 -22.632 -14.593 1.00 65.43 C ATOM 1014 CE LYS A 70 64.637 -21.583 -14.402 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.693 -22.028 -13.454 1.00 61.24 N ATOM 0 H LYS A 70 61.237 -23.259 -17.724 1.00 44.04 H new ATOM 0 HA LYS A 70 61.318 -20.491 -17.404 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.531 -22.580 -17.314 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.715 -20.933 -16.745 1.00 2.20 H new ATOM 0 HG2 LYS A 70 61.936 -21.297 -15.065 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.705 -22.933 -15.648 1.00 4.42 H new ATOM 0 HD2 LYS A 70 63.126 -22.893 -13.625 1.00 65.43 H new ATOM 0 HD3 LYS A 70 63.995 -23.541 -15.001 1.00 65.43 H new ATOM 0 HE2 LYS A 70 65.091 -21.353 -15.366 1.00 20.30 H new ATOM 0 HE3 LYS A 70 64.187 -20.661 -14.034 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.128 -21.197 -13.004 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 65.270 -22.635 -12.723 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 66.420 -22.563 -13.970 1.00 61.24 H new ATOM 1029 N SER A 71 62.797 -21.569 -20.106 1.00 24.44 N ATOM 1030 CA SER A 71 63.428 -21.173 -21.359 1.00 74.02 C ATOM 1031 C SER A 71 62.535 -20.205 -22.139 1.00 74.23 C ATOM 1032 O SER A 71 62.973 -19.557 -23.090 1.00 30.43 O ATOM 1033 CB SER A 71 63.726 -22.416 -22.203 1.00 35.23 C ATOM 1034 OG SER A 71 64.558 -22.104 -23.306 1.00 35.24 O ATOM 0 H SER A 71 62.548 -22.557 -20.058 1.00 24.44 H new ATOM 0 HA SER A 71 64.362 -20.660 -21.130 1.00 74.02 H new ATOM 0 HB2 SER A 71 64.209 -23.171 -21.583 1.00 35.23 H new ATOM 0 HB3 SER A 71 62.791 -22.847 -22.561 1.00 35.23 H new ATOM 0 HG SER A 71 64.331 -21.213 -23.645 1.00 35.24 H new ATOM 1040 N ASP A 72 61.279 -20.101 -21.727 1.00 22.41 N ATOM 1041 CA ASP A 72 60.329 -19.215 -22.384 1.00 53.55 C ATOM 1042 C ASP A 72 60.169 -17.917 -21.602 1.00 72.53 C ATOM 1043 O ASP A 72 59.241 -17.143 -21.843 1.00 51.33 O ATOM 1044 CB ASP A 72 58.971 -19.901 -22.541 1.00 31.01 C ATOM 1045 CG ASP A 72 59.038 -21.120 -23.434 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.036 -20.953 -24.672 1.00 14.24 O ATOM 1047 OD2 ASP A 72 59.094 -22.253 -22.905 1.00 20.11 O ATOM 0 H ASP A 72 60.894 -20.621 -20.939 1.00 22.41 H new ATOM 0 HA ASP A 72 60.720 -18.979 -23.374 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.600 -20.194 -21.559 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.254 -19.191 -22.954 1.00 31.01 H new ATOM 1052 N PHE A 73 61.068 -17.685 -20.655 1.00 54.42 N ATOM 1053 CA PHE A 73 61.063 -16.441 -19.896 1.00 32.03 C ATOM 1054 C PHE A 73 62.165 -15.501 -20.371 1.00 41.43 C ATOM 1055 O PHE A 73 63.211 -15.938 -20.865 1.00 33.41 O ATOM 1056 CB PHE A 73 61.231 -16.721 -18.400 1.00 12.00 C ATOM 1057 CG PHE A 73 59.983 -17.228 -17.730 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.627 -18.564 -17.810 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.172 -16.364 -17.015 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.484 -19.028 -17.190 1.00 43.50 C ATOM 1061 CE2 PHE A 73 58.028 -16.821 -16.391 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.684 -18.154 -16.477 1.00 32.20 C ATOM 0 H PHE A 73 61.807 -18.338 -20.395 1.00 54.42 H new ATOM 0 HA PHE A 73 60.100 -15.958 -20.062 1.00 32.03 H new ATOM 0 HB2 PHE A 73 62.027 -17.453 -18.265 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.552 -15.806 -17.903 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.250 -19.251 -18.364 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.437 -15.319 -16.944 1.00 71.52 H new ATOM 0 HE1 PHE A 73 58.215 -20.072 -17.262 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.404 -16.136 -15.837 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.791 -18.515 -15.988 1.00 32.20 H new ATOM 1072 N GLU A 74 61.918 -14.210 -20.239 1.00 11.30 N ATOM 1073 CA GLU A 74 62.915 -13.204 -20.550 1.00 71.52 C ATOM 1074 C GLU A 74 63.342 -12.491 -19.274 1.00 63.42 C ATOM 1075 O GLU A 74 62.549 -12.354 -18.335 1.00 24.10 O ATOM 1076 CB GLU A 74 62.369 -12.191 -21.558 1.00 55.11 C ATOM 1077 CG GLU A 74 61.227 -11.345 -21.018 1.00 15.31 C ATOM 1078 CD GLU A 74 60.877 -10.188 -21.927 1.00 10.03 C ATOM 1079 OE1 GLU A 74 61.730 -9.299 -22.115 1.00 22.12 O ATOM 1080 OE2 GLU A 74 59.745 -10.155 -22.456 1.00 33.13 O ATOM 0 H GLU A 74 61.027 -13.832 -19.916 1.00 11.30 H new ATOM 0 HA GLU A 74 63.779 -13.698 -20.995 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.179 -11.533 -21.873 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.027 -12.723 -22.445 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.347 -11.974 -20.882 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.499 -10.960 -20.035 1.00 15.31 H new ATOM 1087 N MET A 75 64.587 -12.042 -19.242 1.00 1.12 N ATOM 1088 CA MET A 75 65.123 -11.370 -18.071 1.00 0.12 C ATOM 1089 C MET A 75 64.986 -9.861 -18.213 1.00 41.40 C ATOM 1090 O MET A 75 65.716 -9.228 -18.979 1.00 64.03 O ATOM 1091 CB MET A 75 66.595 -11.738 -17.860 1.00 65.23 C ATOM 1092 CG MET A 75 67.201 -11.122 -16.607 1.00 22.24 C ATOM 1093 SD MET A 75 68.973 -11.428 -16.460 1.00 62.41 S ATOM 1094 CE MET A 75 69.015 -13.219 -16.425 1.00 41.21 C ATOM 0 H MET A 75 65.246 -12.132 -20.016 1.00 1.12 H new ATOM 0 HA MET A 75 64.551 -11.699 -17.203 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.685 -12.823 -17.802 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.170 -11.416 -18.728 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.023 -10.047 -16.614 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.694 -11.523 -15.729 1.00 22.24 H new ATOM 0 HE1 MET A 75 69.717 -13.552 -15.660 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.020 -13.602 -16.196 1.00 41.21 H new ATOM 0 HE3 MET A 75 69.334 -13.595 -17.397 1.00 41.21 H new ATOM 1104 N VAL A 76 64.032 -9.297 -17.493 1.00 52.24 N ATOM 1105 CA VAL A 76 63.857 -7.858 -17.451 1.00 50.44 C ATOM 1106 C VAL A 76 64.625 -7.292 -16.267 1.00 33.40 C ATOM 1107 O VAL A 76 64.399 -7.688 -15.118 1.00 12.34 O ATOM 1108 CB VAL A 76 62.368 -7.462 -17.338 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.205 -5.949 -17.401 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.545 -8.137 -18.427 1.00 70.33 C ATOM 0 H VAL A 76 63.363 -9.819 -16.926 1.00 52.24 H new ATOM 0 HA VAL A 76 64.240 -7.446 -18.384 1.00 50.44 H new ATOM 0 HB VAL A 76 61.999 -7.804 -16.371 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.149 -5.693 -17.320 1.00 52.34 H new ATOM 0 HG12 VAL A 76 62.754 -5.489 -16.579 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.596 -5.580 -18.349 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.500 -7.844 -18.328 1.00 70.33 H new ATOM 0 HG22 VAL A 76 61.916 -7.832 -19.405 1.00 70.33 H new ATOM 0 HG23 VAL A 76 61.629 -9.219 -18.328 1.00 70.33 H new