USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=11 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 -171:sc= 0.263 USER MOD Set 1.2: A 33 CYS SG : rot 162:sc= 1.46 USER MOD Set 1.3: A 63 CYS SG : rot 60:sc= -1.12! USER MOD Set 1.4: A 66 CYS SG : rot -40:sc= 1.34 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 : amide:sc= 0.439 K(o=0.44,f=-1.7) USER MOD Single : A 37 TYR OH : rot -159:sc= -0.196 USER MOD Single : A 52 THR OG1 : rot 89:sc= 0.36 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -154:sc= 1.71 (180deg=1.61) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00193 USER MOD Single : A 75 MET CE :methyl -177:sc= -1.04 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 66.530 -6.955 -7.625 1.00 42.41 N ATOM 351 CA TYR A 25 66.141 -8.266 -8.096 1.00 12.14 C ATOM 352 C TYR A 25 65.690 -8.131 -9.535 1.00 32.30 C ATOM 353 O TYR A 25 65.440 -7.015 -9.998 1.00 32.03 O ATOM 354 CB TYR A 25 65.025 -8.852 -7.230 1.00 42.40 C ATOM 355 CG TYR A 25 65.488 -9.312 -5.865 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.616 -8.418 -4.813 1.00 5.11 C ATOM 357 CD2 TYR A 25 65.806 -10.645 -5.636 1.00 12.22 C ATOM 358 CE1 TYR A 25 66.038 -8.837 -3.567 1.00 35.34 C ATOM 359 CE2 TYR A 25 66.226 -11.072 -4.393 1.00 74.12 C ATOM 360 CZ TYR A 25 66.345 -10.165 -3.364 1.00 72.10 C ATOM 361 OH TYR A 25 66.762 -10.587 -2.125 1.00 54.31 O ATOM 0 HA TYR A 25 66.988 -8.949 -8.031 1.00 12.14 H new ATOM 0 HB2 TYR A 25 64.244 -8.102 -7.105 1.00 42.40 H new ATOM 0 HB3 TYR A 25 64.576 -9.696 -7.754 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.382 -7.376 -4.971 1.00 5.11 H new ATOM 0 HD2 TYR A 25 65.723 -11.358 -6.443 1.00 12.22 H new ATOM 0 HE1 TYR A 25 66.127 -8.129 -2.757 1.00 35.34 H new ATOM 0 HE2 TYR A 25 66.460 -12.113 -4.228 1.00 74.12 H new ATOM 0 HH TYR A 25 66.937 -11.551 -2.149 1.00 54.31 H new ATOM 371 N LYS A 26 65.602 -9.230 -10.255 1.00 31.42 N ATOM 372 CA LYS A 26 65.235 -9.150 -11.652 1.00 10.43 C ATOM 373 C LYS A 26 63.857 -9.732 -11.899 1.00 64.22 C ATOM 374 O LYS A 26 63.330 -10.508 -11.092 1.00 33.23 O ATOM 375 CB LYS A 26 66.290 -9.822 -12.532 1.00 44.31 C ATOM 376 CG LYS A 26 67.657 -9.151 -12.429 1.00 40.14 C ATOM 377 CD LYS A 26 67.539 -7.640 -12.586 1.00 14.02 C ATOM 378 CE LYS A 26 68.850 -6.931 -12.285 1.00 14.41 C ATOM 379 NZ LYS A 26 69.865 -7.168 -13.341 1.00 2.34 N ATOM 0 H LYS A 26 65.776 -10.172 -9.904 1.00 31.42 H new ATOM 0 HA LYS A 26 65.193 -8.096 -11.925 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.382 -10.870 -12.246 1.00 44.31 H new ATOM 0 HB3 LYS A 26 65.958 -9.803 -13.570 1.00 44.31 H new ATOM 0 HG2 LYS A 26 68.109 -9.385 -11.465 1.00 40.14 H new ATOM 0 HG3 LYS A 26 68.320 -9.549 -13.197 1.00 40.14 H new ATOM 0 HD2 LYS A 26 67.225 -7.405 -13.603 1.00 14.02 H new ATOM 0 HD3 LYS A 26 66.763 -7.266 -11.918 1.00 14.02 H new ATOM 0 HE2 LYS A 26 68.670 -5.860 -12.189 1.00 14.41 H new ATOM 0 HE3 LYS A 26 69.237 -7.276 -11.326 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 70.743 -6.667 -13.097 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 70.057 -8.187 -13.415 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 69.507 -6.816 -14.252 1.00 2.34 H new ATOM 393 N LEU A 27 63.273 -9.325 -13.011 1.00 10.35 N ATOM 394 CA LEU A 27 61.947 -9.759 -13.385 1.00 63.42 C ATOM 395 C LEU A 27 62.022 -10.607 -14.646 1.00 12.52 C ATOM 396 O LEU A 27 62.569 -10.182 -15.659 1.00 23.11 O ATOM 397 CB LEU A 27 61.043 -8.531 -13.586 1.00 14.35 C ATOM 398 CG LEU A 27 59.605 -8.815 -14.033 1.00 74.43 C ATOM 399 CD1 LEU A 27 58.671 -7.740 -13.503 1.00 23.04 C ATOM 400 CD2 LEU A 27 59.520 -8.876 -15.550 1.00 64.32 C ATOM 0 H LEU A 27 63.707 -8.685 -13.677 1.00 10.35 H new ATOM 0 HA LEU A 27 61.518 -10.372 -12.592 1.00 63.42 H new ATOM 0 HB2 LEU A 27 61.007 -7.975 -12.649 1.00 14.35 H new ATOM 0 HB3 LEU A 27 61.509 -7.880 -14.325 1.00 14.35 H new ATOM 0 HG LEU A 27 59.302 -9.781 -13.629 1.00 74.43 H new ATOM 0 HD11 LEU A 27 57.652 -7.952 -13.827 1.00 23.04 H new ATOM 0 HD12 LEU A 27 58.711 -7.728 -12.414 1.00 23.04 H new ATOM 0 HD13 LEU A 27 58.979 -6.768 -13.888 1.00 23.04 H new ATOM 0 HD21 LEU A 27 58.492 -9.079 -15.849 1.00 64.32 H new ATOM 0 HD22 LEU A 27 59.839 -7.923 -15.971 1.00 64.32 H new ATOM 0 HD23 LEU A 27 60.168 -9.671 -15.919 1.00 64.32 H new ATOM 412 N PHE A 28 61.493 -11.808 -14.571 1.00 1.00 N ATOM 413 CA PHE A 28 61.468 -12.700 -15.711 1.00 50.25 C ATOM 414 C PHE A 28 60.087 -12.696 -16.340 1.00 32.34 C ATOM 415 O PHE A 28 59.110 -13.141 -15.739 1.00 14.13 O ATOM 416 CB PHE A 28 61.884 -14.111 -15.297 1.00 13.43 C ATOM 417 CG PHE A 28 63.339 -14.208 -14.929 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.786 -13.783 -13.688 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.261 -14.716 -15.829 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.123 -13.860 -13.354 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.601 -14.795 -15.500 1.00 45.12 C ATOM 422 CZ PHE A 28 66.031 -14.368 -14.261 1.00 30.44 C ATOM 0 H PHE A 28 61.071 -12.193 -13.726 1.00 1.00 H new ATOM 0 HA PHE A 28 62.184 -12.349 -16.454 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.278 -14.429 -14.449 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.674 -14.801 -16.115 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.080 -13.387 -12.974 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.929 -15.054 -16.799 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.458 -13.523 -12.384 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.310 -15.190 -16.212 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.077 -14.431 -14.001 1.00 30.44 H new ATOM 432 N ARG A 29 60.015 -12.169 -17.543 1.00 72.21 N ATOM 433 CA ARG A 29 58.757 -12.015 -18.248 1.00 15.21 C ATOM 434 C ARG A 29 58.620 -13.120 -19.284 1.00 74.30 C ATOM 435 O ARG A 29 59.503 -13.310 -20.119 1.00 12.12 O ATOM 436 CB ARG A 29 58.720 -10.629 -18.898 1.00 53.45 C ATOM 437 CG ARG A 29 57.373 -10.206 -19.464 1.00 41.44 C ATOM 438 CD ARG A 29 57.445 -8.770 -19.968 1.00 1.41 C ATOM 439 NE ARG A 29 56.151 -8.256 -20.419 1.00 42.11 N ATOM 440 CZ ARG A 29 55.692 -7.038 -20.121 1.00 34.34 C ATOM 441 NH1 ARG A 29 56.369 -6.245 -19.300 1.00 14.43 N ATOM 442 NH2 ARG A 29 54.540 -6.622 -20.623 1.00 21.35 N ATOM 0 H ARG A 29 60.827 -11.834 -18.062 1.00 72.21 H new ATOM 0 HA ARG A 29 57.918 -12.096 -17.557 1.00 15.21 H new ATOM 0 HB2 ARG A 29 59.031 -9.892 -18.158 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.456 -10.604 -19.702 1.00 53.45 H new ATOM 0 HG2 ARG A 29 57.087 -10.872 -20.278 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.604 -10.292 -18.696 1.00 41.44 H new ATOM 0 HD2 ARG A 29 57.826 -8.130 -19.172 1.00 1.41 H new ATOM 0 HD3 ARG A 29 58.158 -8.715 -20.790 1.00 1.41 H new ATOM 0 HE ARG A 29 55.566 -8.863 -20.994 1.00 42.11 H new ATOM 0 HH11 ARG A 29 57.247 -6.564 -18.891 1.00 14.43 H new ATOM 0 HH12 ARG A 29 56.011 -5.316 -19.078 1.00 14.43 H new ATOM 0 HH21 ARG A 29 54.002 -7.232 -21.238 1.00 21.35 H new ATOM 0 HH22 ARG A 29 54.191 -5.691 -20.395 1.00 21.35 H new ATOM 456 N CYS A 30 57.540 -13.878 -19.191 1.00 53.14 N ATOM 457 CA CYS A 30 57.291 -14.969 -20.121 1.00 13.35 C ATOM 458 C CYS A 30 57.020 -14.419 -21.513 1.00 23.11 C ATOM 459 O CYS A 30 56.101 -13.633 -21.705 1.00 13.32 O ATOM 460 CB CYS A 30 56.107 -15.809 -19.645 1.00 24.13 C ATOM 461 SG CYS A 30 55.789 -17.283 -20.644 1.00 1.33 S ATOM 0 H CYS A 30 56.819 -13.758 -18.479 1.00 53.14 H new ATOM 0 HA CYS A 30 58.176 -15.604 -20.161 1.00 13.35 H new ATOM 0 HB2 CYS A 30 56.285 -16.115 -18.614 1.00 24.13 H new ATOM 0 HB3 CYS A 30 55.212 -15.186 -19.643 1.00 24.13 H new ATOM 0 HG CYS A 30 54.665 -17.822 -20.276 1.00 1.33 H new ATOM 466 N ILE A 31 57.803 -14.856 -22.482 1.00 13.20 N ATOM 467 CA ILE A 31 57.721 -14.322 -23.833 1.00 62.43 C ATOM 468 C ILE A 31 56.505 -14.872 -24.565 1.00 64.12 C ATOM 469 O ILE A 31 56.078 -14.327 -25.582 1.00 21.10 O ATOM 470 CB ILE A 31 58.994 -14.640 -24.647 1.00 61.10 C ATOM 471 CG1 ILE A 31 59.153 -16.152 -24.844 1.00 2.21 C ATOM 472 CG2 ILE A 31 60.217 -14.065 -23.946 1.00 12.21 C ATOM 473 CD1 ILE A 31 60.350 -16.537 -25.689 1.00 74.30 C ATOM 0 H ILE A 31 58.507 -15.583 -22.359 1.00 13.20 H new ATOM 0 HA ILE A 31 57.626 -13.240 -23.741 1.00 62.43 H new ATOM 0 HB ILE A 31 58.899 -14.179 -25.630 1.00 61.10 H new ATOM 0 HG12 ILE A 31 59.241 -16.629 -23.868 1.00 2.21 H new ATOM 0 HG13 ILE A 31 58.250 -16.545 -25.310 1.00 2.21 H new ATOM 0 HG21 ILE A 31 61.110 -14.294 -24.527 1.00 12.21 H new ATOM 0 HG22 ILE A 31 60.110 -12.984 -23.856 1.00 12.21 H new ATOM 0 HG23 ILE A 31 60.307 -14.505 -22.953 1.00 12.21 H new ATOM 0 HD11 ILE A 31 60.395 -17.622 -25.783 1.00 74.30 H new ATOM 0 HD12 ILE A 31 60.255 -16.091 -26.679 1.00 74.30 H new ATOM 0 HD13 ILE A 31 61.262 -16.176 -25.214 1.00 74.30 H new ATOM 485 N GLN A 32 55.937 -15.945 -24.028 1.00 51.33 N ATOM 486 CA GLN A 32 54.813 -16.608 -24.667 1.00 23.44 C ATOM 487 C GLN A 32 53.492 -15.921 -24.330 1.00 13.04 C ATOM 488 O GLN A 32 52.493 -16.110 -25.028 1.00 35.13 O ATOM 489 CB GLN A 32 54.747 -18.082 -24.256 1.00 55.24 C ATOM 490 CG GLN A 32 55.991 -18.889 -24.605 1.00 33.15 C ATOM 491 CD GLN A 32 56.417 -18.732 -26.055 1.00 11.55 C ATOM 492 OE1 GLN A 32 55.602 -18.442 -26.932 1.00 42.33 O ATOM 493 NE2 GLN A 32 57.690 -18.969 -26.323 1.00 22.30 N ATOM 0 H GLN A 32 56.238 -16.372 -23.152 1.00 51.33 H new ATOM 0 HA GLN A 32 54.969 -16.543 -25.744 1.00 23.44 H new ATOM 0 HB2 GLN A 32 54.581 -18.140 -23.180 1.00 55.24 H new ATOM 0 HB3 GLN A 32 53.884 -18.542 -24.736 1.00 55.24 H new ATOM 0 HG2 GLN A 32 56.811 -18.580 -23.956 1.00 33.15 H new ATOM 0 HG3 GLN A 32 55.802 -19.943 -24.400 1.00 33.15 H new ATOM 0 HE21 GLN A 32 58.334 -19.206 -25.569 1.00 22.30 H new ATOM 0 HE22 GLN A 32 58.028 -18.914 -27.284 1.00 22.30 H new ATOM 502 N CYS A 33 53.478 -15.116 -23.274 1.00 2.20 N ATOM 503 CA CYS A 33 52.225 -14.496 -22.838 1.00 22.24 C ATOM 504 C CYS A 33 52.433 -13.122 -22.212 1.00 72.42 C ATOM 505 O CYS A 33 51.597 -12.228 -22.361 1.00 22.31 O ATOM 506 CB CYS A 33 51.499 -15.414 -21.856 1.00 41.11 C ATOM 507 SG CYS A 33 52.459 -15.862 -20.389 1.00 25.30 S ATOM 0 H CYS A 33 54.296 -14.879 -22.713 1.00 2.20 H new ATOM 0 HA CYS A 33 51.615 -14.351 -23.730 1.00 22.24 H new ATOM 0 HB2 CYS A 33 50.578 -14.926 -21.536 1.00 41.11 H new ATOM 0 HB3 CYS A 33 51.211 -16.327 -22.378 1.00 41.11 H new ATOM 0 HG CYS A 33 51.658 -16.302 -19.464 1.00 25.30 H new ATOM 512 N GLY A 34 53.539 -12.950 -21.511 1.00 75.22 N ATOM 513 CA GLY A 34 53.801 -11.689 -20.850 1.00 61.15 C ATOM 514 C GLY A 34 53.680 -11.791 -19.345 1.00 41.20 C ATOM 515 O GLY A 34 53.627 -10.776 -18.654 1.00 65.41 O ATOM 0 H GLY A 34 54.261 -13.659 -21.387 1.00 75.22 H new ATOM 0 HA2 GLY A 34 54.803 -11.347 -21.109 1.00 61.15 H new ATOM 0 HA3 GLY A 34 53.103 -10.937 -21.218 1.00 61.15 H new ATOM 519 N PHE A 35 53.611 -13.015 -18.837 1.00 44.34 N ATOM 520 CA PHE A 35 53.570 -13.242 -17.397 1.00 63.14 C ATOM 521 C PHE A 35 54.897 -12.832 -16.765 1.00 62.11 C ATOM 522 O PHE A 35 55.938 -13.416 -17.064 1.00 22.11 O ATOM 523 CB PHE A 35 53.272 -14.713 -17.092 1.00 51.10 C ATOM 524 CG PHE A 35 53.203 -15.024 -15.624 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.036 -14.808 -14.911 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.307 -15.533 -14.956 1.00 75.13 C ATOM 527 CE1 PHE A 35 51.970 -15.092 -13.561 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.247 -15.817 -13.606 1.00 63.43 C ATOM 529 CZ PHE A 35 53.078 -15.596 -12.908 1.00 22.21 C ATOM 0 H PHE A 35 53.582 -13.865 -19.400 1.00 44.34 H new ATOM 0 HA PHE A 35 52.772 -12.633 -16.972 1.00 63.14 H new ATOM 0 HB2 PHE A 35 52.325 -14.987 -17.557 1.00 51.10 H new ATOM 0 HB3 PHE A 35 54.043 -15.333 -17.550 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.167 -14.413 -15.416 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.224 -15.709 -15.498 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.053 -14.920 -13.017 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.114 -16.212 -13.097 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.029 -15.817 -11.852 1.00 22.21 H new ATOM 539 N GLU A 36 54.849 -11.830 -15.907 1.00 21.30 N ATOM 540 CA GLU A 36 56.049 -11.303 -15.277 1.00 35.33 C ATOM 541 C GLU A 36 56.245 -11.883 -13.882 1.00 44.03 C ATOM 542 O GLU A 36 55.374 -11.764 -13.022 1.00 52.25 O ATOM 543 CB GLU A 36 55.970 -9.781 -15.198 1.00 30.54 C ATOM 544 CG GLU A 36 56.193 -9.092 -16.532 1.00 13.22 C ATOM 545 CD GLU A 36 55.822 -7.625 -16.503 1.00 51.45 C ATOM 546 OE1 GLU A 36 54.613 -7.315 -16.447 1.00 35.32 O ATOM 547 OE2 GLU A 36 56.735 -6.774 -16.560 1.00 54.43 O ATOM 0 H GLU A 36 53.987 -11.361 -15.628 1.00 21.30 H new ATOM 0 HA GLU A 36 56.904 -11.593 -15.887 1.00 35.33 H new ATOM 0 HB2 GLU A 36 54.992 -9.496 -14.810 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.713 -9.423 -14.485 1.00 30.54 H new ATOM 0 HG2 GLU A 36 57.240 -9.192 -16.817 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.605 -9.596 -17.299 1.00 13.22 H new ATOM 554 N TYR A 37 57.383 -12.526 -13.681 1.00 71.04 N ATOM 555 CA TYR A 37 57.780 -13.004 -12.363 1.00 2.31 C ATOM 556 C TYR A 37 58.911 -12.137 -11.827 1.00 2.10 C ATOM 557 O TYR A 37 59.901 -11.919 -12.510 1.00 33.24 O ATOM 558 CB TYR A 37 58.238 -14.469 -12.420 1.00 64.22 C ATOM 559 CG TYR A 37 58.988 -14.910 -11.179 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.311 -15.328 -10.042 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.379 -14.890 -11.143 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.997 -15.714 -8.906 1.00 32.50 C ATOM 563 CE2 TYR A 37 61.070 -15.272 -10.010 1.00 42.11 C ATOM 564 CZ TYR A 37 60.375 -15.685 -8.895 1.00 3.33 C ATOM 565 OH TYR A 37 61.059 -16.066 -7.764 1.00 35.44 O ATOM 0 H TYR A 37 58.055 -12.731 -14.420 1.00 71.04 H new ATOM 0 HA TYR A 37 56.917 -12.941 -11.701 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.367 -15.110 -12.557 1.00 64.22 H new ATOM 0 HB3 TYR A 37 58.877 -14.609 -13.292 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.231 -15.352 -10.045 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.928 -14.570 -12.016 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.455 -16.037 -8.030 1.00 32.50 H new ATOM 0 HE2 TYR A 37 62.150 -15.247 -9.998 1.00 42.11 H new ATOM 0 HH TYR A 37 61.965 -15.693 -7.788 1.00 35.44 H new ATOM 575 N ASP A 38 58.766 -11.653 -10.610 1.00 70.50 N ATOM 576 CA ASP A 38 59.797 -10.834 -9.992 1.00 10.30 C ATOM 577 C ASP A 38 60.444 -11.580 -8.832 1.00 4.53 C ATOM 578 O ASP A 38 59.749 -12.156 -7.996 1.00 73.13 O ATOM 579 CB ASP A 38 59.193 -9.516 -9.517 1.00 64.12 C ATOM 580 CG ASP A 38 60.054 -8.813 -8.496 1.00 45.13 C ATOM 581 OD1 ASP A 38 61.077 -8.214 -8.875 1.00 30.54 O ATOM 582 OD2 ASP A 38 59.707 -8.862 -7.305 1.00 51.42 O ATOM 0 H ASP A 38 57.945 -11.811 -10.026 1.00 70.50 H new ATOM 0 HA ASP A 38 60.571 -10.619 -10.729 1.00 10.30 H new ATOM 0 HB2 ASP A 38 59.045 -8.860 -10.374 1.00 64.12 H new ATOM 0 HB3 ASP A 38 58.210 -9.706 -9.087 1.00 64.12 H new ATOM 587 N GLU A 39 61.773 -11.579 -8.791 1.00 21.24 N ATOM 588 CA GLU A 39 62.508 -12.320 -7.766 1.00 73.35 C ATOM 589 C GLU A 39 62.365 -11.681 -6.378 1.00 61.05 C ATOM 590 O GLU A 39 62.562 -12.348 -5.357 1.00 14.23 O ATOM 591 CB GLU A 39 63.989 -12.412 -8.136 1.00 3.15 C ATOM 592 CG GLU A 39 64.263 -13.156 -9.431 1.00 2.32 C ATOM 593 CD GLU A 39 65.744 -13.230 -9.748 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.384 -12.163 -9.865 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.276 -14.356 -9.867 1.00 61.24 O ATOM 0 H GLU A 39 62.364 -11.075 -9.453 1.00 21.24 H new ATOM 0 HA GLU A 39 62.076 -13.320 -7.722 1.00 73.35 H new ATOM 0 HB2 GLU A 39 64.395 -11.404 -8.217 1.00 3.15 H new ATOM 0 HB3 GLU A 39 64.524 -12.907 -7.326 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.858 -14.165 -9.361 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.742 -12.660 -10.250 1.00 2.32 H new ATOM 602 N ALA A 40 62.027 -10.397 -6.338 1.00 41.21 N ATOM 603 CA ALA A 40 61.936 -9.672 -5.073 1.00 41.44 C ATOM 604 C ALA A 40 60.666 -10.037 -4.311 1.00 73.14 C ATOM 605 O ALA A 40 60.699 -10.224 -3.095 1.00 63.31 O ATOM 606 CB ALA A 40 61.997 -8.168 -5.306 1.00 64.54 C ATOM 0 H ALA A 40 61.812 -9.837 -7.163 1.00 41.21 H new ATOM 0 HA ALA A 40 62.791 -9.967 -4.465 1.00 41.44 H new ATOM 0 HB1 ALA A 40 61.927 -7.649 -4.350 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.940 -7.913 -5.790 1.00 64.54 H new ATOM 0 HB3 ALA A 40 61.167 -7.865 -5.945 1.00 64.54 H new ATOM 612 N LEU A 41 59.556 -10.114 -5.026 1.00 35.01 N ATOM 613 CA LEU A 41 58.277 -10.470 -4.429 1.00 43.03 C ATOM 614 C LEU A 41 58.117 -11.988 -4.412 1.00 41.24 C ATOM 615 O LEU A 41 57.602 -12.559 -3.451 1.00 5.12 O ATOM 616 CB LEU A 41 57.133 -9.808 -5.218 1.00 54.42 C ATOM 617 CG LEU A 41 55.798 -9.628 -4.472 1.00 52.33 C ATOM 618 CD1 LEU A 41 55.071 -10.954 -4.294 1.00 54.05 C ATOM 619 CD2 LEU A 41 56.027 -8.955 -3.124 1.00 50.10 C ATOM 0 H LEU A 41 59.514 -9.933 -6.029 1.00 35.01 H new ATOM 0 HA LEU A 41 58.242 -10.109 -3.401 1.00 43.03 H new ATOM 0 HB2 LEU A 41 57.472 -8.827 -5.552 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.947 -10.403 -6.112 1.00 54.42 H new ATOM 0 HG LEU A 41 55.162 -8.985 -5.081 1.00 52.33 H new ATOM 0 HD11 LEU A 41 54.134 -10.787 -3.764 1.00 54.05 H new ATOM 0 HD12 LEU A 41 54.862 -11.389 -5.272 1.00 54.05 H new ATOM 0 HD13 LEU A 41 55.696 -11.637 -3.719 1.00 54.05 H new ATOM 0 HD21 LEU A 41 55.073 -8.836 -2.610 1.00 50.10 H new ATOM 0 HD22 LEU A 41 56.691 -9.571 -2.518 1.00 50.10 H new ATOM 0 HD23 LEU A 41 56.481 -7.976 -3.278 1.00 50.10 H new ATOM 631 N GLY A 42 58.570 -12.635 -5.475 1.00 60.35 N ATOM 632 CA GLY A 42 58.468 -14.074 -5.563 1.00 65.42 C ATOM 633 C GLY A 42 57.141 -14.515 -6.150 1.00 1.31 C ATOM 634 O GLY A 42 56.503 -13.765 -6.891 1.00 22.32 O ATOM 0 H GLY A 42 59.007 -12.186 -6.280 1.00 60.35 H new ATOM 0 HA2 GLY A 42 59.282 -14.458 -6.178 1.00 65.42 H new ATOM 0 HA3 GLY A 42 58.587 -14.507 -4.570 1.00 65.42 H new ATOM 638 N TRP A 43 56.731 -15.729 -5.819 1.00 34.01 N ATOM 639 CA TRP A 43 55.458 -16.265 -6.279 1.00 72.13 C ATOM 640 C TRP A 43 54.950 -17.286 -5.266 1.00 1.53 C ATOM 641 O TRP A 43 55.165 -18.492 -5.411 1.00 0.54 O ATOM 642 CB TRP A 43 55.604 -16.899 -7.669 1.00 22.21 C ATOM 643 CG TRP A 43 54.290 -17.256 -8.305 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.829 -18.507 -8.601 1.00 62.34 C ATOM 645 CD2 TRP A 43 53.266 -16.345 -8.724 1.00 75.12 C ATOM 646 NE1 TRP A 43 52.584 -18.429 -9.167 1.00 5.33 N ATOM 647 CE2 TRP A 43 52.217 -17.115 -9.260 1.00 2.33 C ATOM 648 CE3 TRP A 43 53.133 -14.954 -8.702 1.00 21.30 C ATOM 649 CZ2 TRP A 43 51.050 -16.541 -9.763 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.975 -14.385 -9.203 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.948 -15.179 -9.726 1.00 72.01 C ATOM 0 H TRP A 43 57.265 -16.367 -5.229 1.00 34.01 H new ATOM 0 HA TRP A 43 54.735 -15.454 -6.363 1.00 72.13 H new ATOM 0 HB2 TRP A 43 56.138 -16.208 -8.321 1.00 22.21 H new ATOM 0 HB3 TRP A 43 56.215 -17.798 -7.588 1.00 22.21 H new ATOM 0 HD1 TRP A 43 54.368 -19.425 -8.416 1.00 62.34 H new ATOM 0 HE1 TRP A 43 52.021 -19.224 -9.470 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.921 -14.333 -8.301 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 50.256 -17.151 -10.167 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.862 -13.311 -9.190 1.00 45.00 H new ATOM 0 HH2 TRP A 43 50.056 -14.705 -10.108 1.00 72.01 H new ATOM 662 N PRO A 44 54.276 -16.802 -4.210 1.00 45.41 N ATOM 663 CA PRO A 44 53.878 -17.627 -3.064 1.00 41.22 C ATOM 664 C PRO A 44 52.916 -18.742 -3.454 1.00 43.31 C ATOM 665 O PRO A 44 52.844 -19.778 -2.786 1.00 52.04 O ATOM 666 CB PRO A 44 53.192 -16.645 -2.110 1.00 1.41 C ATOM 667 CG PRO A 44 53.559 -15.283 -2.594 1.00 43.31 C ATOM 668 CD PRO A 44 53.837 -15.407 -4.062 1.00 12.02 C ATOM 0 HA PRO A 44 54.739 -18.129 -2.623 1.00 41.22 H new ATOM 0 HB2 PRO A 44 52.111 -16.784 -2.117 1.00 1.41 H new ATOM 0 HB3 PRO A 44 53.527 -16.799 -1.084 1.00 1.41 H new ATOM 0 HG2 PRO A 44 52.749 -14.577 -2.412 1.00 43.31 H new ATOM 0 HG3 PRO A 44 54.435 -14.907 -2.065 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.948 -15.200 -4.658 1.00 12.02 H new ATOM 0 HD3 PRO A 44 54.607 -14.707 -4.385 1.00 12.02 H new ATOM 676 N GLU A 45 52.190 -18.521 -4.545 1.00 52.10 N ATOM 677 CA GLU A 45 51.251 -19.507 -5.076 1.00 33.11 C ATOM 678 C GLU A 45 51.931 -20.861 -5.264 1.00 32.45 C ATOM 679 O GLU A 45 51.430 -21.894 -4.818 1.00 53.21 O ATOM 680 CB GLU A 45 50.696 -19.022 -6.419 1.00 63.41 C ATOM 681 CG GLU A 45 50.106 -17.621 -6.374 1.00 44.43 C ATOM 682 CD GLU A 45 48.874 -17.529 -5.504 1.00 32.53 C ATOM 683 OE1 GLU A 45 49.019 -17.420 -4.271 1.00 61.31 O ATOM 684 OE2 GLU A 45 47.749 -17.570 -6.051 1.00 63.33 O ATOM 0 H GLU A 45 52.234 -17.657 -5.085 1.00 52.10 H new ATOM 0 HA GLU A 45 50.436 -19.624 -4.361 1.00 33.11 H new ATOM 0 HB2 GLU A 45 51.495 -19.045 -7.160 1.00 63.41 H new ATOM 0 HB3 GLU A 45 49.928 -19.718 -6.756 1.00 63.41 H new ATOM 0 HG2 GLU A 45 50.860 -16.927 -6.002 1.00 44.43 H new ATOM 0 HG3 GLU A 45 49.854 -17.306 -7.387 1.00 44.43 H new ATOM 691 N ASP A 46 53.095 -20.841 -5.899 1.00 54.25 N ATOM 692 CA ASP A 46 53.846 -22.063 -6.178 1.00 30.40 C ATOM 693 C ASP A 46 54.853 -22.351 -5.073 1.00 61.32 C ATOM 694 O ASP A 46 55.705 -23.229 -5.208 1.00 73.23 O ATOM 695 CB ASP A 46 54.565 -21.955 -7.526 1.00 23.20 C ATOM 696 CG ASP A 46 53.645 -22.201 -8.706 1.00 70.52 C ATOM 697 OD1 ASP A 46 52.709 -21.402 -8.923 1.00 44.22 O ATOM 698 OD2 ASP A 46 53.866 -23.196 -9.431 1.00 44.11 O ATOM 0 H ASP A 46 53.544 -19.988 -6.233 1.00 54.25 H new ATOM 0 HA ASP A 46 53.136 -22.889 -6.220 1.00 30.40 H new ATOM 0 HB2 ASP A 46 55.008 -20.963 -7.618 1.00 23.20 H new ATOM 0 HB3 ASP A 46 55.384 -22.674 -7.554 1.00 23.20 H new ATOM 703 N GLY A 47 54.753 -21.609 -3.978 1.00 73.12 N ATOM 704 CA GLY A 47 55.654 -21.809 -2.859 1.00 12.11 C ATOM 705 C GLY A 47 56.973 -21.085 -3.042 1.00 64.11 C ATOM 706 O GLY A 47 57.916 -21.296 -2.281 1.00 22.42 O ATOM 0 H GLY A 47 54.062 -20.870 -3.844 1.00 73.12 H new ATOM 0 HA2 GLY A 47 55.175 -21.460 -1.944 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.842 -22.875 -2.734 1.00 12.11 H new ATOM 710 N ILE A 48 57.034 -20.227 -4.048 1.00 0.01 N ATOM 711 CA ILE A 48 58.240 -19.469 -4.344 1.00 25.24 C ATOM 712 C ILE A 48 58.304 -18.230 -3.456 1.00 62.01 C ATOM 713 O ILE A 48 57.455 -17.347 -3.548 1.00 62.43 O ATOM 714 CB ILE A 48 58.275 -19.058 -5.832 1.00 14.52 C ATOM 715 CG1 ILE A 48 58.137 -20.294 -6.722 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.557 -18.315 -6.160 1.00 22.34 C ATOM 717 CD1 ILE A 48 58.122 -19.980 -8.203 1.00 43.03 C ATOM 0 H ILE A 48 56.255 -20.037 -4.679 1.00 0.01 H new ATOM 0 HA ILE A 48 59.106 -20.100 -4.142 1.00 25.24 H new ATOM 0 HB ILE A 48 57.436 -18.388 -6.022 1.00 14.52 H new ATOM 0 HG12 ILE A 48 58.962 -20.975 -6.513 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.217 -20.817 -6.461 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.557 -18.037 -7.214 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.623 -17.416 -5.547 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.413 -18.958 -5.955 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.022 -20.905 -8.770 1.00 43.03 H new ATOM 0 HD12 ILE A 48 57.281 -19.324 -8.427 1.00 43.03 H new ATOM 0 HD13 ILE A 48 59.053 -19.484 -8.479 1.00 43.03 H new ATOM 729 N ALA A 49 59.307 -18.171 -2.594 1.00 31.20 N ATOM 730 CA ALA A 49 59.381 -17.120 -1.588 1.00 5.11 C ATOM 731 C ALA A 49 60.057 -15.864 -2.124 1.00 32.55 C ATOM 732 O ALA A 49 60.846 -15.917 -3.071 1.00 44.13 O ATOM 733 CB ALA A 49 60.115 -17.625 -0.357 1.00 50.42 C ATOM 0 H ALA A 49 60.080 -18.836 -2.570 1.00 31.20 H new ATOM 0 HA ALA A 49 58.360 -16.852 -1.317 1.00 5.11 H new ATOM 0 HB1 ALA A 49 60.164 -16.831 0.388 1.00 50.42 H new ATOM 0 HB2 ALA A 49 59.583 -18.480 0.059 1.00 50.42 H new ATOM 0 HB3 ALA A 49 61.125 -17.926 -0.634 1.00 50.42 H new ATOM 739 N ALA A 50 59.742 -14.735 -1.504 1.00 43.33 N ATOM 740 CA ALA A 50 60.354 -13.465 -1.857 1.00 31.42 C ATOM 741 C ALA A 50 61.849 -13.511 -1.593 1.00 65.35 C ATOM 742 O ALA A 50 62.281 -13.749 -0.462 1.00 33.24 O ATOM 743 CB ALA A 50 59.712 -12.335 -1.072 1.00 12.13 C ATOM 0 H ALA A 50 59.060 -14.675 -0.748 1.00 43.33 H new ATOM 0 HA ALA A 50 60.194 -13.283 -2.920 1.00 31.42 H new ATOM 0 HB1 ALA A 50 60.180 -11.390 -1.346 1.00 12.13 H new ATOM 0 HB2 ALA A 50 58.647 -12.292 -1.300 1.00 12.13 H new ATOM 0 HB3 ALA A 50 59.847 -12.511 -0.005 1.00 12.13 H new ATOM 749 N GLY A 51 62.637 -13.294 -2.633 1.00 23.11 N ATOM 750 CA GLY A 51 64.072 -13.393 -2.494 1.00 51.21 C ATOM 751 C GLY A 51 64.618 -14.629 -3.177 1.00 12.22 C ATOM 752 O GLY A 51 65.831 -14.762 -3.355 1.00 44.15 O ATOM 0 H GLY A 51 62.309 -13.052 -3.568 1.00 23.11 H new ATOM 0 HA2 GLY A 51 64.541 -12.506 -2.919 1.00 51.21 H new ATOM 0 HA3 GLY A 51 64.334 -13.416 -1.436 1.00 51.21 H new ATOM 756 N THR A 52 63.724 -15.543 -3.550 1.00 34.23 N ATOM 757 CA THR A 52 64.116 -16.729 -4.292 1.00 72.11 C ATOM 758 C THR A 52 64.542 -16.348 -5.706 1.00 32.45 C ATOM 759 O THR A 52 63.759 -15.779 -6.470 1.00 11.25 O ATOM 760 CB THR A 52 62.967 -17.759 -4.356 1.00 4.53 C ATOM 761 OG1 THR A 52 62.635 -18.205 -3.033 1.00 61.21 O ATOM 762 CG2 THR A 52 63.348 -18.958 -5.212 1.00 63.31 C ATOM 0 H THR A 52 62.726 -15.481 -3.349 1.00 34.23 H new ATOM 0 HA THR A 52 64.956 -17.186 -3.768 1.00 72.11 H new ATOM 0 HB THR A 52 62.104 -17.271 -4.809 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.952 -17.616 -2.651 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.519 -19.665 -5.238 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.572 -18.625 -6.225 1.00 63.31 H new ATOM 0 HG23 THR A 52 64.226 -19.444 -4.787 1.00 63.31 H new ATOM 770 N ARG A 53 65.795 -16.639 -6.035 1.00 11.11 N ATOM 771 CA ARG A 53 66.321 -16.348 -7.358 1.00 1.42 C ATOM 772 C ARG A 53 65.860 -17.401 -8.357 1.00 24.11 C ATOM 773 O ARG A 53 65.520 -18.526 -7.980 1.00 33.21 O ATOM 774 CB ARG A 53 67.853 -16.278 -7.332 1.00 42.33 C ATOM 775 CG ARG A 53 68.405 -15.074 -6.578 1.00 70.11 C ATOM 776 CD ARG A 53 68.064 -13.762 -7.277 1.00 62.02 C ATOM 777 NE ARG A 53 68.643 -12.606 -6.590 1.00 73.44 N ATOM 778 CZ ARG A 53 68.801 -11.399 -7.143 1.00 34.42 C ATOM 779 NH1 ARG A 53 68.353 -11.152 -8.369 1.00 5.03 N ATOM 780 NH2 ARG A 53 69.375 -10.423 -6.453 1.00 20.33 N ATOM 0 H ARG A 53 66.464 -17.077 -5.401 1.00 11.11 H new ATOM 0 HA ARG A 53 65.937 -15.377 -7.670 1.00 1.42 H new ATOM 0 HB2 ARG A 53 68.241 -17.189 -6.875 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.223 -16.253 -8.357 1.00 42.33 H new ATOM 0 HG2 ARG A 53 68.000 -15.062 -5.566 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.487 -15.167 -6.488 1.00 70.11 H new ATOM 0 HD2 ARG A 53 68.429 -13.793 -8.304 1.00 62.02 H new ATOM 0 HD3 ARG A 53 66.981 -13.649 -7.327 1.00 62.02 H new ATOM 0 HE ARG A 53 68.946 -12.730 -5.624 1.00 73.44 H new ATOM 0 HH11 ARG A 53 67.883 -11.887 -8.898 1.00 5.03 H new ATOM 0 HH12 ARG A 53 68.479 -10.228 -8.781 1.00 5.03 H new ATOM 0 HH21 ARG A 53 69.696 -10.593 -5.500 1.00 20.33 H new ATOM 0 HH22 ARG A 53 69.495 -9.502 -6.875 1.00 20.33 H new ATOM 794 N TRP A 54 65.859 -17.024 -9.626 1.00 75.02 N ATOM 795 CA TRP A 54 65.425 -17.894 -10.713 1.00 4.51 C ATOM 796 C TRP A 54 66.190 -19.219 -10.714 1.00 51.50 C ATOM 797 O TRP A 54 65.675 -20.251 -11.158 1.00 53.22 O ATOM 798 CB TRP A 54 65.638 -17.172 -12.042 1.00 14.02 C ATOM 799 CG TRP A 54 64.935 -17.808 -13.198 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.498 -18.527 -14.211 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.532 -17.770 -13.461 1.00 24.15 C ATOM 802 NE1 TRP A 54 64.526 -18.939 -15.090 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.309 -18.484 -14.648 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.442 -17.198 -12.803 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.037 -18.640 -15.191 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.181 -17.355 -13.342 1.00 62.21 C ATOM 807 CH2 TRP A 54 60.988 -18.071 -14.525 1.00 44.10 C ATOM 0 H TRP A 54 66.161 -16.100 -9.935 1.00 75.02 H new ATOM 0 HA TRP A 54 64.369 -18.123 -10.572 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.295 -16.142 -11.943 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.706 -17.133 -12.256 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.552 -18.741 -14.308 1.00 3.31 H new ATOM 0 HE1 TRP A 54 64.683 -19.492 -15.933 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.583 -16.642 -11.888 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 61.884 -19.192 -16.107 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.330 -16.917 -12.841 1.00 62.21 H new ATOM 0 HH2 TRP A 54 59.989 -18.177 -14.922 1.00 44.10 H new ATOM 818 N ASP A 55 67.413 -19.175 -10.207 1.00 34.41 N ATOM 819 CA ASP A 55 68.290 -20.341 -10.164 1.00 13.53 C ATOM 820 C ASP A 55 67.773 -21.400 -9.198 1.00 43.20 C ATOM 821 O ASP A 55 67.976 -22.597 -9.412 1.00 13.14 O ATOM 822 CB ASP A 55 69.699 -19.923 -9.746 1.00 34.21 C ATOM 823 CG ASP A 55 70.307 -18.914 -10.695 1.00 1.12 C ATOM 824 OD1 ASP A 55 69.931 -17.726 -10.629 1.00 31.22 O ATOM 825 OD2 ASP A 55 71.167 -19.303 -11.510 1.00 31.21 O ATOM 0 H ASP A 55 67.828 -18.331 -9.813 1.00 34.41 H new ATOM 0 HA ASP A 55 68.311 -20.771 -11.165 1.00 13.53 H new ATOM 0 HB2 ASP A 55 69.667 -19.500 -8.742 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.338 -20.805 -9.700 1.00 34.21 H new ATOM 830 N ASP A 56 67.117 -20.960 -8.129 1.00 74.00 N ATOM 831 CA ASP A 56 66.629 -21.879 -7.101 1.00 13.50 C ATOM 832 C ASP A 56 65.359 -22.572 -7.566 1.00 35.01 C ATOM 833 O ASP A 56 65.138 -23.751 -7.281 1.00 73.34 O ATOM 834 CB ASP A 56 66.363 -21.133 -5.791 1.00 10.43 C ATOM 835 CG ASP A 56 65.885 -22.056 -4.685 1.00 24.32 C ATOM 836 OD1 ASP A 56 66.687 -22.895 -4.222 1.00 45.42 O ATOM 837 OD2 ASP A 56 64.717 -21.943 -4.263 1.00 73.21 O ATOM 0 H ASP A 56 66.911 -19.977 -7.950 1.00 74.00 H new ATOM 0 HA ASP A 56 67.399 -22.631 -6.927 1.00 13.50 H new ATOM 0 HB2 ASP A 56 67.275 -20.630 -5.471 1.00 10.43 H new ATOM 0 HB3 ASP A 56 65.615 -20.359 -5.963 1.00 10.43 H new ATOM 842 N ILE A 57 64.542 -21.826 -8.295 1.00 54.25 N ATOM 843 CA ILE A 57 63.281 -22.330 -8.816 1.00 24.31 C ATOM 844 C ILE A 57 63.501 -23.590 -9.654 1.00 43.24 C ATOM 845 O ILE A 57 64.360 -23.605 -10.540 1.00 14.33 O ATOM 846 CB ILE A 57 62.582 -21.259 -9.678 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.413 -19.965 -8.878 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.233 -21.762 -10.167 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.793 -18.838 -9.673 1.00 14.05 C ATOM 0 H ILE A 57 64.735 -20.855 -8.542 1.00 54.25 H new ATOM 0 HA ILE A 57 62.647 -22.577 -7.964 1.00 24.31 H new ATOM 0 HB ILE A 57 63.205 -21.053 -10.548 1.00 73.12 H new ATOM 0 HG12 ILE A 57 61.793 -20.166 -8.004 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.388 -19.645 -8.510 1.00 25.30 H new ATOM 0 HG21 ILE A 57 60.756 -20.992 -10.773 1.00 13.22 H new ATOM 0 HG22 ILE A 57 61.376 -22.660 -10.768 1.00 13.22 H new ATOM 0 HG23 ILE A 57 60.599 -21.995 -9.311 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.704 -17.954 -9.042 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.424 -18.609 -10.532 1.00 14.05 H new ATOM 0 HD13 ILE A 57 60.804 -19.138 -10.019 1.00 14.05 H new ATOM 861 N PRO A 58 62.731 -24.660 -9.366 1.00 63.44 N ATOM 862 CA PRO A 58 62.845 -25.954 -10.049 1.00 3.44 C ATOM 863 C PRO A 58 63.008 -25.831 -11.561 1.00 51.00 C ATOM 864 O PRO A 58 62.303 -25.064 -12.220 1.00 45.01 O ATOM 865 CB PRO A 58 61.522 -26.639 -9.715 1.00 24.00 C ATOM 866 CG PRO A 58 61.139 -26.093 -8.385 1.00 73.11 C ATOM 867 CD PRO A 58 61.679 -24.688 -8.328 1.00 50.42 C ATOM 0 HA PRO A 58 63.732 -26.498 -9.724 1.00 3.44 H new ATOM 0 HB2 PRO A 58 60.763 -26.421 -10.466 1.00 24.00 H new ATOM 0 HB3 PRO A 58 61.635 -27.723 -9.681 1.00 24.00 H new ATOM 0 HG2 PRO A 58 60.056 -26.098 -8.261 1.00 73.11 H new ATOM 0 HG3 PRO A 58 61.555 -26.701 -7.582 1.00 73.11 H new ATOM 0 HD2 PRO A 58 60.900 -23.954 -8.531 1.00 50.42 H new ATOM 0 HD3 PRO A 58 62.085 -24.457 -7.343 1.00 50.42 H new ATOM 875 N ASP A 59 63.939 -26.601 -12.105 1.00 25.01 N ATOM 876 CA ASP A 59 64.215 -26.595 -13.539 1.00 41.44 C ATOM 877 C ASP A 59 63.015 -27.109 -14.331 1.00 34.41 C ATOM 878 O ASP A 59 62.885 -26.837 -15.523 1.00 72.22 O ATOM 879 CB ASP A 59 65.439 -27.461 -13.847 1.00 1.55 C ATOM 880 CG ASP A 59 65.235 -28.905 -13.439 1.00 42.44 C ATOM 881 OD1 ASP A 59 65.296 -29.195 -12.225 1.00 4.21 O ATOM 882 OD2 ASP A 59 64.992 -29.751 -14.326 1.00 11.32 O ATOM 0 H ASP A 59 64.523 -27.245 -11.571 1.00 25.01 H new ATOM 0 HA ASP A 59 64.414 -25.565 -13.837 1.00 41.44 H new ATOM 0 HB2 ASP A 59 65.656 -27.414 -14.914 1.00 1.55 H new ATOM 0 HB3 ASP A 59 66.308 -27.057 -13.327 1.00 1.55 H new ATOM 887 N ASP A 60 62.146 -27.856 -13.659 1.00 32.43 N ATOM 888 CA ASP A 60 60.954 -28.407 -14.292 1.00 54.13 C ATOM 889 C ASP A 60 59.749 -27.504 -14.059 1.00 24.24 C ATOM 890 O ASP A 60 58.651 -27.780 -14.547 1.00 12.35 O ATOM 891 CB ASP A 60 60.660 -29.805 -13.747 1.00 23.23 C ATOM 892 CG ASP A 60 60.346 -29.800 -12.263 1.00 23.22 C ATOM 893 OD1 ASP A 60 61.295 -29.785 -11.451 1.00 70.35 O ATOM 894 OD2 ASP A 60 59.151 -29.814 -11.900 1.00 42.45 O ATOM 0 H ASP A 60 62.246 -28.094 -12.672 1.00 32.43 H new ATOM 0 HA ASP A 60 61.142 -28.471 -15.364 1.00 54.13 H new ATOM 0 HB2 ASP A 60 59.818 -30.233 -14.291 1.00 23.23 H new ATOM 0 HB3 ASP A 60 61.519 -30.450 -13.930 1.00 23.23 H new ATOM 899 N TRP A 61 59.960 -26.424 -13.313 1.00 5.24 N ATOM 900 CA TRP A 61 58.884 -25.495 -13.002 1.00 42.43 C ATOM 901 C TRP A 61 58.455 -24.753 -14.256 1.00 33.21 C ATOM 902 O TRP A 61 59.288 -24.255 -15.017 1.00 22.24 O ATOM 903 CB TRP A 61 59.324 -24.503 -11.922 1.00 54.42 C ATOM 904 CG TRP A 61 58.258 -23.533 -11.508 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.181 -23.791 -10.711 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.173 -22.147 -11.859 1.00 34.02 C ATOM 907 NE1 TRP A 61 56.433 -22.652 -10.545 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.023 -21.628 -11.237 1.00 14.21 C ATOM 909 CE3 TRP A 61 58.959 -21.294 -12.639 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.643 -20.296 -11.366 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.580 -19.972 -12.767 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.431 -19.483 -12.132 1.00 25.01 C ATOM 0 H TRP A 61 60.865 -26.173 -12.914 1.00 5.24 H new ATOM 0 HA TRP A 61 58.035 -26.063 -12.621 1.00 42.43 H new ATOM 0 HB2 TRP A 61 59.653 -25.060 -11.045 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.186 -23.945 -12.287 1.00 54.42 H new ATOM 0 HD1 TRP A 61 56.951 -24.752 -10.274 1.00 30.52 H new ATOM 0 HE1 TRP A 61 55.577 -22.580 -9.995 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.846 -21.662 -13.133 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.757 -19.918 -10.878 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 59.180 -19.304 -13.367 1.00 12.43 H new ATOM 0 HH2 TRP A 61 57.163 -18.444 -12.250 1.00 25.01 H new ATOM 923 N SER A 62 57.158 -24.695 -14.472 1.00 54.20 N ATOM 924 CA SER A 62 56.619 -24.028 -15.632 1.00 3.30 C ATOM 925 C SER A 62 55.799 -22.819 -15.204 1.00 13.23 C ATOM 926 O SER A 62 55.401 -22.710 -14.045 1.00 63.43 O ATOM 927 CB SER A 62 55.754 -25.000 -16.431 1.00 63.43 C ATOM 928 OG SER A 62 56.325 -26.298 -16.440 1.00 64.32 O ATOM 0 H SER A 62 56.457 -25.105 -13.855 1.00 54.20 H new ATOM 0 HA SER A 62 57.440 -23.686 -16.263 1.00 3.30 H new ATOM 0 HB2 SER A 62 54.754 -25.042 -16.000 1.00 63.43 H new ATOM 0 HB3 SER A 62 55.645 -24.639 -17.454 1.00 63.43 H new ATOM 0 HG SER A 62 55.753 -26.904 -16.956 1.00 64.32 H new ATOM 934 N CYS A 63 55.573 -21.917 -16.143 1.00 24.15 N ATOM 935 CA CYS A 63 54.775 -20.728 -15.911 1.00 63.43 C ATOM 936 C CYS A 63 53.409 -21.093 -15.335 1.00 24.51 C ATOM 937 O CYS A 63 52.668 -21.874 -15.926 1.00 44.14 O ATOM 938 CB CYS A 63 54.606 -19.963 -17.226 1.00 63.12 C ATOM 939 SG CYS A 63 53.597 -18.467 -17.100 1.00 13.20 S ATOM 0 H CYS A 63 55.940 -21.990 -17.092 1.00 24.15 H new ATOM 0 HA CYS A 63 55.289 -20.097 -15.186 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.592 -19.690 -17.602 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.156 -20.628 -17.963 1.00 63.12 H new ATOM 0 HG CYS A 63 54.138 -17.649 -16.247 1.00 13.20 H new ATOM 944 N PRO A 64 53.063 -20.522 -14.172 1.00 12.23 N ATOM 945 CA PRO A 64 51.775 -20.766 -13.508 1.00 52.51 C ATOM 946 C PRO A 64 50.606 -20.092 -14.236 1.00 52.22 C ATOM 947 O PRO A 64 49.489 -20.011 -13.719 1.00 21.33 O ATOM 948 CB PRO A 64 51.991 -20.160 -12.115 1.00 2.43 C ATOM 949 CG PRO A 64 52.995 -19.086 -12.333 1.00 63.34 C ATOM 950 CD PRO A 64 53.916 -19.601 -13.401 1.00 75.23 C ATOM 0 HA PRO A 64 51.506 -21.822 -13.488 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.063 -19.760 -11.707 1.00 2.43 H new ATOM 0 HB3 PRO A 64 52.354 -20.906 -11.408 1.00 2.43 H new ATOM 0 HG2 PRO A 64 52.515 -18.158 -12.644 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.542 -18.869 -11.415 1.00 63.34 H new ATOM 0 HD2 PRO A 64 54.301 -18.793 -14.024 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.778 -20.114 -12.975 1.00 75.23 H new ATOM 958 N ASP A 65 50.877 -19.608 -15.445 1.00 62.43 N ATOM 959 CA ASP A 65 49.855 -19.012 -16.293 1.00 4.14 C ATOM 960 C ASP A 65 49.590 -19.883 -17.519 1.00 73.14 C ATOM 961 O ASP A 65 48.472 -20.349 -17.725 1.00 75.43 O ATOM 962 CB ASP A 65 50.278 -17.604 -16.732 1.00 75.11 C ATOM 963 CG ASP A 65 49.460 -17.075 -17.897 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.244 -16.849 -17.729 1.00 12.44 O ATOM 965 OD2 ASP A 65 50.031 -16.891 -18.992 1.00 62.34 O ATOM 0 H ASP A 65 51.808 -19.619 -15.861 1.00 62.43 H new ATOM 0 HA ASP A 65 48.935 -18.941 -15.713 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.181 -16.922 -15.888 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.331 -17.618 -17.011 1.00 75.11 H new ATOM 970 N CYS A 66 50.620 -20.108 -18.323 1.00 24.23 N ATOM 971 CA CYS A 66 50.462 -20.851 -19.571 1.00 44.35 C ATOM 972 C CYS A 66 51.063 -22.251 -19.487 1.00 61.50 C ATOM 973 O CYS A 66 50.644 -23.157 -20.206 1.00 33.10 O ATOM 974 CB CYS A 66 51.108 -20.080 -20.714 1.00 11.53 C ATOM 975 SG CYS A 66 52.808 -19.556 -20.380 1.00 2.42 S ATOM 0 H CYS A 66 51.571 -19.789 -18.137 1.00 24.23 H new ATOM 0 HA CYS A 66 49.393 -20.963 -19.754 1.00 44.35 H new ATOM 0 HB2 CYS A 66 51.100 -20.702 -21.609 1.00 11.53 H new ATOM 0 HB3 CYS A 66 50.504 -19.200 -20.932 1.00 11.53 H new ATOM 0 HG CYS A 66 52.903 -19.151 -19.148 1.00 2.42 H new ATOM 980 N GLY A 67 52.046 -22.424 -18.619 1.00 11.35 N ATOM 981 CA GLY A 67 52.698 -23.711 -18.493 1.00 2.21 C ATOM 982 C GLY A 67 53.998 -23.790 -19.270 1.00 45.15 C ATOM 983 O GLY A 67 54.612 -24.851 -19.354 1.00 12.15 O ATOM 0 H GLY A 67 52.405 -21.698 -17.999 1.00 11.35 H new ATOM 0 HA2 GLY A 67 52.897 -23.911 -17.440 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.022 -24.491 -18.844 1.00 2.21 H new ATOM 987 N ALA A 68 54.411 -22.669 -19.847 1.00 3.21 N ATOM 988 CA ALA A 68 55.685 -22.594 -20.556 1.00 51.33 C ATOM 989 C ALA A 68 56.843 -22.736 -19.575 1.00 24.02 C ATOM 990 O ALA A 68 56.743 -22.298 -18.433 1.00 24.41 O ATOM 991 CB ALA A 68 55.785 -21.279 -21.313 1.00 22.41 C ATOM 0 H ALA A 68 53.882 -21.797 -19.839 1.00 3.21 H new ATOM 0 HA ALA A 68 55.739 -23.413 -21.274 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.739 -21.233 -21.838 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.970 -21.211 -22.034 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.718 -20.449 -20.610 1.00 22.41 H new ATOM 997 N ALA A 69 57.937 -23.336 -20.015 1.00 63.43 N ATOM 998 CA ALA A 69 59.064 -23.609 -19.130 1.00 14.25 C ATOM 999 C ALA A 69 59.813 -22.332 -18.761 1.00 45.14 C ATOM 1000 O ALA A 69 59.549 -21.262 -19.316 1.00 64.45 O ATOM 1001 CB ALA A 69 60.008 -24.606 -19.781 1.00 43.25 C ATOM 0 H ALA A 69 58.071 -23.644 -20.978 1.00 63.43 H new ATOM 0 HA ALA A 69 58.669 -24.037 -18.208 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.846 -24.803 -19.113 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.475 -25.536 -19.979 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.381 -24.195 -20.719 1.00 43.25 H new ATOM 1007 N LYS A 70 60.759 -22.453 -17.829 1.00 44.04 N ATOM 1008 CA LYS A 70 61.567 -21.312 -17.398 1.00 2.40 C ATOM 1009 C LYS A 70 62.311 -20.702 -18.584 1.00 33.52 C ATOM 1010 O LYS A 70 62.571 -19.498 -18.621 1.00 53.10 O ATOM 1011 CB LYS A 70 62.580 -21.725 -16.319 1.00 2.20 C ATOM 1012 CG LYS A 70 61.949 -22.289 -15.053 1.00 4.42 C ATOM 1013 CD LYS A 70 62.860 -22.120 -13.839 1.00 65.43 C ATOM 1014 CE LYS A 70 64.228 -22.754 -14.049 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.136 -22.520 -12.890 1.00 61.24 N ATOM 0 H LYS A 70 60.984 -23.329 -17.358 1.00 44.04 H new ATOM 0 HA LYS A 70 60.888 -20.570 -16.977 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.256 -22.471 -16.738 1.00 2.20 H new ATOM 0 HB3 LYS A 70 63.186 -20.858 -16.054 1.00 2.20 H new ATOM 0 HG2 LYS A 70 60.999 -21.788 -14.867 1.00 4.42 H new ATOM 0 HG3 LYS A 70 61.729 -23.347 -15.197 1.00 4.42 H new ATOM 0 HD2 LYS A 70 62.983 -21.058 -13.625 1.00 65.43 H new ATOM 0 HD3 LYS A 70 62.385 -22.568 -12.966 1.00 65.43 H new ATOM 0 HE2 LYS A 70 64.110 -23.826 -14.207 1.00 20.30 H new ATOM 0 HE3 LYS A 70 64.681 -22.347 -14.953 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 66.125 -22.554 -13.211 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 64.938 -21.586 -12.477 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 64.979 -23.256 -12.172 1.00 61.24 H new ATOM 1029 N SER A 71 62.621 -21.546 -19.560 1.00 24.44 N ATOM 1030 CA SER A 71 63.353 -21.132 -20.745 1.00 74.02 C ATOM 1031 C SER A 71 62.570 -20.090 -21.553 1.00 74.23 C ATOM 1032 O SER A 71 63.146 -19.359 -22.359 1.00 30.43 O ATOM 1033 CB SER A 71 63.647 -22.357 -21.607 1.00 35.23 C ATOM 1034 OG SER A 71 64.135 -23.426 -20.812 1.00 35.24 O ATOM 0 H SER A 71 62.371 -22.535 -19.550 1.00 24.44 H new ATOM 0 HA SER A 71 64.288 -20.668 -20.431 1.00 74.02 H new ATOM 0 HB2 SER A 71 62.741 -22.668 -22.126 1.00 35.23 H new ATOM 0 HB3 SER A 71 64.381 -22.102 -22.372 1.00 35.23 H new ATOM 0 HG SER A 71 64.316 -24.202 -21.383 1.00 35.24 H new ATOM 1040 N ASP A 72 61.264 -20.011 -21.319 1.00 22.41 N ATOM 1041 CA ASP A 72 60.412 -19.078 -22.049 1.00 53.55 C ATOM 1042 C ASP A 72 60.294 -17.744 -21.328 1.00 72.53 C ATOM 1043 O ASP A 72 59.503 -16.888 -21.719 1.00 51.33 O ATOM 1044 CB ASP A 72 59.017 -19.668 -22.267 1.00 31.01 C ATOM 1045 CG ASP A 72 59.001 -20.749 -23.327 1.00 15.41 C ATOM 1046 OD1 ASP A 72 59.237 -20.422 -24.510 1.00 14.24 O ATOM 1047 OD2 ASP A 72 58.756 -21.924 -22.985 1.00 20.11 O ATOM 0 H ASP A 72 60.773 -20.581 -20.630 1.00 22.41 H new ATOM 0 HA ASP A 72 60.883 -18.906 -23.017 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.650 -20.081 -21.327 1.00 31.01 H new ATOM 0 HB3 ASP A 72 58.331 -18.872 -22.555 1.00 31.01 H new ATOM 1052 N PHE A 73 61.064 -17.569 -20.263 1.00 54.42 N ATOM 1053 CA PHE A 73 61.090 -16.296 -19.556 1.00 32.03 C ATOM 1054 C PHE A 73 62.335 -15.503 -19.933 1.00 41.43 C ATOM 1055 O PHE A 73 63.403 -16.080 -20.150 1.00 33.41 O ATOM 1056 CB PHE A 73 61.050 -16.512 -18.040 1.00 12.00 C ATOM 1057 CG PHE A 73 59.731 -17.010 -17.523 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.367 -18.337 -17.669 1.00 13.51 C ATOM 1059 CD2 PHE A 73 58.858 -16.146 -16.883 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.158 -18.795 -17.186 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.648 -16.598 -16.396 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.297 -17.923 -16.550 1.00 32.20 C ATOM 0 H PHE A 73 61.675 -18.286 -19.872 1.00 54.42 H new ATOM 0 HA PHE A 73 60.206 -15.730 -19.850 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.828 -17.225 -17.765 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.290 -15.572 -17.544 1.00 12.00 H new ATOM 0 HD1 PHE A 73 60.037 -19.022 -18.167 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.127 -15.107 -16.764 1.00 71.52 H new ATOM 0 HE1 PHE A 73 57.886 -19.833 -17.305 1.00 43.50 H new ATOM 0 HE2 PHE A 73 56.977 -15.915 -15.895 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.349 -18.278 -16.173 1.00 32.20 H new ATOM 1072 N GLU A 74 62.198 -14.190 -20.021 1.00 11.30 N ATOM 1073 CA GLU A 74 63.328 -13.326 -20.330 1.00 71.52 C ATOM 1074 C GLU A 74 63.668 -12.459 -19.125 1.00 63.42 C ATOM 1075 O GLU A 74 62.776 -12.014 -18.399 1.00 24.10 O ATOM 1076 CB GLU A 74 63.023 -12.441 -21.545 1.00 55.11 C ATOM 1077 CG GLU A 74 61.829 -11.515 -21.350 1.00 15.31 C ATOM 1078 CD GLU A 74 61.599 -10.587 -22.525 1.00 10.03 C ATOM 1079 OE1 GLU A 74 62.279 -9.545 -22.604 1.00 33.13 O ATOM 1080 OE2 GLU A 74 60.732 -10.889 -23.371 1.00 22.12 O ATOM 0 H GLU A 74 61.315 -13.698 -19.883 1.00 11.30 H new ATOM 0 HA GLU A 74 64.185 -13.956 -20.571 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.903 -11.840 -21.774 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.838 -13.079 -22.410 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.934 -12.115 -21.188 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.981 -10.920 -20.449 1.00 15.31 H new ATOM 1087 N MET A 75 64.955 -12.236 -18.907 1.00 1.12 N ATOM 1088 CA MET A 75 65.412 -11.419 -17.792 1.00 0.12 C ATOM 1089 C MET A 75 65.242 -9.941 -18.112 1.00 41.40 C ATOM 1090 O MET A 75 65.854 -9.422 -19.045 1.00 64.03 O ATOM 1091 CB MET A 75 66.880 -11.722 -17.470 1.00 65.23 C ATOM 1092 CG MET A 75 67.418 -10.942 -16.279 1.00 22.24 C ATOM 1093 SD MET A 75 69.161 -11.276 -15.956 1.00 62.41 S ATOM 1094 CE MET A 75 69.114 -13.031 -15.602 1.00 41.21 C ATOM 0 H MET A 75 65.704 -12.610 -19.489 1.00 1.12 H new ATOM 0 HA MET A 75 64.806 -11.661 -16.919 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.987 -12.789 -17.273 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.489 -11.497 -18.346 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.284 -9.875 -16.458 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.834 -11.192 -15.393 1.00 22.24 H new ATOM 0 HE1 MET A 75 70.112 -13.374 -15.330 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.429 -13.217 -14.775 1.00 41.21 H new ATOM 0 HE3 MET A 75 68.773 -13.571 -16.485 1.00 41.21 H new ATOM 1104 N VAL A 76 64.385 -9.281 -17.351 1.00 52.24 N ATOM 1105 CA VAL A 76 64.134 -7.862 -17.524 1.00 50.44 C ATOM 1106 C VAL A 76 64.557 -7.097 -16.272 1.00 33.40 C ATOM 1107 O VAL A 76 64.349 -7.567 -15.144 1.00 12.34 O ATOM 1108 CB VAL A 76 62.636 -7.590 -17.809 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.387 -6.114 -18.080 1.00 52.34 C ATOM 1110 CG2 VAL A 76 62.143 -8.438 -18.972 1.00 70.33 C ATOM 0 H VAL A 76 63.847 -9.712 -16.600 1.00 52.24 H new ATOM 0 HA VAL A 76 64.719 -7.521 -18.378 1.00 50.44 H new ATOM 0 HB VAL A 76 62.073 -7.869 -16.918 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.327 -5.954 -18.277 1.00 52.34 H new ATOM 0 HG12 VAL A 76 62.687 -5.529 -17.211 1.00 52.34 H new ATOM 0 HG13 VAL A 76 62.968 -5.800 -18.947 1.00 52.34 H new ATOM 0 HG21 VAL A 76 61.089 -8.229 -19.153 1.00 70.33 H new ATOM 0 HG22 VAL A 76 62.719 -8.199 -19.866 1.00 70.33 H new ATOM 0 HG23 VAL A 76 62.268 -9.494 -18.731 1.00 70.33 H new