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 180:sc= 0.345 USER MOD Set 1.2: A 33 CYS SG : rot -38:sc= 1.16 USER MOD Set 1.3: A 63 CYS SG : rot 71:sc= -1.52! USER MOD Set 1.4: A 66 CYS SG : rot -100:sc= 1.43 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -0.0429 (180deg=-0.302) USER MOD Single : A 32 GLN : amide:sc= 0.7 K(o=0.7,f=-1.1) USER MOD Single : A 37 TYR OH : rot -151:sc= -0.512 USER MOD Single : A 52 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= 1.55 (180deg=1.19) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -174:sc= -0.629 (180deg=-0.682) USER MOD ----------------------------------------------------------------- ATOM 350 N TYR A 25 65.849 -6.618 -7.315 1.00 42.41 N ATOM 351 CA TYR A 25 65.563 -7.994 -7.694 1.00 12.14 C ATOM 352 C TYR A 25 65.271 -8.066 -9.183 1.00 32.30 C ATOM 353 O TYR A 25 64.742 -7.118 -9.762 1.00 32.03 O ATOM 354 CB TYR A 25 64.392 -8.566 -6.895 1.00 42.40 C ATOM 355 CG TYR A 25 64.800 -9.165 -5.567 1.00 42.33 C ATOM 356 CD1 TYR A 25 65.451 -10.391 -5.510 1.00 12.22 C ATOM 357 CD2 TYR A 25 64.531 -8.515 -4.374 1.00 5.11 C ATOM 358 CE1 TYR A 25 65.824 -10.949 -4.302 1.00 74.12 C ATOM 359 CE2 TYR A 25 64.901 -9.066 -3.162 1.00 35.34 C ATOM 360 CZ TYR A 25 65.544 -10.282 -3.132 1.00 72.10 C ATOM 361 OH TYR A 25 65.915 -10.830 -1.925 1.00 54.31 O ATOM 0 HA TYR A 25 66.441 -8.598 -7.467 1.00 12.14 H new ATOM 0 HB2 TYR A 25 63.663 -7.775 -6.719 1.00 42.40 H new ATOM 0 HB3 TYR A 25 63.895 -9.331 -7.492 1.00 42.40 H new ATOM 0 HD1 TYR A 25 65.670 -10.918 -6.427 1.00 12.22 H new ATOM 0 HD2 TYR A 25 64.024 -7.562 -4.391 1.00 5.11 H new ATOM 0 HE1 TYR A 25 66.332 -11.902 -4.277 1.00 74.12 H new ATOM 0 HE2 TYR A 25 64.686 -8.544 -2.241 1.00 35.34 H new ATOM 0 HH TYR A 25 65.644 -10.232 -1.197 1.00 54.31 H new ATOM 371 N LYS A 26 65.608 -9.186 -9.799 1.00 31.42 N ATOM 372 CA LYS A 26 65.433 -9.346 -11.233 1.00 10.43 C ATOM 373 C LYS A 26 63.996 -9.753 -11.533 1.00 64.22 C ATOM 374 O LYS A 26 63.320 -10.335 -10.681 1.00 33.23 O ATOM 375 CB LYS A 26 66.405 -10.405 -11.758 1.00 44.31 C ATOM 376 CG LYS A 26 67.805 -10.275 -11.170 1.00 40.14 C ATOM 377 CD LYS A 26 68.707 -11.428 -11.580 1.00 14.02 C ATOM 378 CE LYS A 26 69.146 -11.316 -13.029 1.00 14.41 C ATOM 379 NZ LYS A 26 70.026 -10.137 -13.253 1.00 2.34 N ATOM 0 H LYS A 26 66.005 -9.999 -9.328 1.00 31.42 H new ATOM 0 HA LYS A 26 65.642 -8.399 -11.731 1.00 10.43 H new ATOM 0 HB2 LYS A 26 66.012 -11.396 -11.529 1.00 44.31 H new ATOM 0 HB3 LYS A 26 66.465 -10.328 -12.844 1.00 44.31 H new ATOM 0 HG2 LYS A 26 68.249 -9.334 -11.496 1.00 40.14 H new ATOM 0 HG3 LYS A 26 67.739 -10.236 -10.083 1.00 40.14 H new ATOM 0 HD2 LYS A 26 69.586 -11.449 -10.935 1.00 14.02 H new ATOM 0 HD3 LYS A 26 68.181 -12.371 -11.432 1.00 14.02 H new ATOM 0 HE2 LYS A 26 69.675 -12.224 -13.319 1.00 14.41 H new ATOM 0 HE3 LYS A 26 68.267 -11.240 -13.670 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 70.556 -10.263 -14.139 1.00 2.34 H new ATOM 0 HZ2 LYS A 26 69.445 -9.277 -13.316 1.00 2.34 H new ATOM 0 HZ3 LYS A 26 70.693 -10.046 -12.460 1.00 2.34 H new ATOM 393 N LEU A 27 63.511 -9.436 -12.723 1.00 10.35 N ATOM 394 CA LEU A 27 62.173 -9.861 -13.107 1.00 63.42 C ATOM 395 C LEU A 27 62.200 -10.617 -14.427 1.00 12.52 C ATOM 396 O LEU A 27 62.883 -10.228 -15.369 1.00 23.11 O ATOM 397 CB LEU A 27 61.186 -8.680 -13.171 1.00 14.35 C ATOM 398 CG LEU A 27 61.587 -7.492 -14.055 1.00 74.43 C ATOM 399 CD1 LEU A 27 60.355 -6.686 -14.446 1.00 23.04 C ATOM 400 CD2 LEU A 27 62.584 -6.591 -13.335 1.00 64.32 C ATOM 0 H LEU A 27 64.012 -8.896 -13.429 1.00 10.35 H new ATOM 0 HA LEU A 27 61.816 -10.537 -12.330 1.00 63.42 H new ATOM 0 HB2 LEU A 27 60.226 -9.058 -13.524 1.00 14.35 H new ATOM 0 HB3 LEU A 27 61.030 -8.312 -12.157 1.00 14.35 H new ATOM 0 HG LEU A 27 62.060 -7.885 -14.955 1.00 74.43 H new ATOM 0 HD11 LEU A 27 60.654 -5.846 -15.073 1.00 23.04 H new ATOM 0 HD12 LEU A 27 59.664 -7.323 -14.998 1.00 23.04 H new ATOM 0 HD13 LEU A 27 59.865 -6.312 -13.547 1.00 23.04 H new ATOM 0 HD21 LEU A 27 62.853 -5.756 -13.982 1.00 64.32 H new ATOM 0 HD22 LEU A 27 62.134 -6.210 -12.419 1.00 64.32 H new ATOM 0 HD23 LEU A 27 63.479 -7.162 -13.089 1.00 64.32 H new ATOM 412 N PHE A 28 61.475 -11.719 -14.481 1.00 1.00 N ATOM 413 CA PHE A 28 61.427 -12.551 -15.674 1.00 50.25 C ATOM 414 C PHE A 28 60.017 -12.567 -16.244 1.00 32.34 C ATOM 415 O PHE A 28 59.066 -12.934 -15.557 1.00 14.13 O ATOM 416 CB PHE A 28 61.894 -13.970 -15.350 1.00 13.43 C ATOM 417 CG PHE A 28 63.354 -14.055 -14.997 1.00 40.13 C ATOM 418 CD1 PHE A 28 63.808 -13.658 -13.747 1.00 13.32 C ATOM 419 CD2 PHE A 28 64.273 -14.521 -15.921 1.00 54.21 C ATOM 420 CE1 PHE A 28 65.151 -13.730 -13.427 1.00 53.31 C ATOM 421 CE2 PHE A 28 65.616 -14.595 -15.607 1.00 45.12 C ATOM 422 CZ PHE A 28 66.056 -14.198 -14.360 1.00 30.44 C ATOM 0 H PHE A 28 60.906 -12.063 -13.707 1.00 1.00 H new ATOM 0 HA PHE A 28 62.098 -12.132 -16.424 1.00 50.25 H new ATOM 0 HB2 PHE A 28 61.304 -14.357 -14.519 1.00 13.43 H new ATOM 0 HB3 PHE A 28 61.698 -14.613 -16.208 1.00 13.43 H new ATOM 0 HD1 PHE A 28 63.104 -13.289 -13.016 1.00 13.32 H new ATOM 0 HD2 PHE A 28 63.936 -14.830 -16.899 1.00 54.21 H new ATOM 0 HE1 PHE A 28 65.492 -13.421 -12.450 1.00 53.31 H new ATOM 0 HE2 PHE A 28 66.322 -14.963 -16.337 1.00 45.12 H new ATOM 0 HZ PHE A 28 67.106 -14.253 -14.114 1.00 30.44 H new ATOM 432 N ARG A 29 59.886 -12.167 -17.495 1.00 72.21 N ATOM 433 CA ARG A 29 58.575 -12.039 -18.113 1.00 15.21 C ATOM 434 C ARG A 29 58.337 -13.160 -19.118 1.00 74.30 C ATOM 435 O ARG A 29 59.156 -13.390 -20.004 1.00 12.12 O ATOM 436 CB ARG A 29 58.460 -10.682 -18.805 1.00 53.45 C ATOM 437 CG ARG A 29 57.094 -10.414 -19.410 1.00 41.44 C ATOM 438 CD ARG A 29 57.074 -9.100 -20.177 1.00 1.41 C ATOM 439 NE ARG A 29 57.429 -7.957 -19.334 1.00 42.11 N ATOM 440 CZ ARG A 29 58.313 -7.019 -19.675 1.00 34.34 C ATOM 441 NH1 ARG A 29 58.966 -7.097 -20.829 1.00 14.43 N ATOM 442 NH2 ARG A 29 58.547 -6.008 -18.852 1.00 21.35 N ATOM 0 H ARG A 29 60.668 -11.925 -18.104 1.00 72.21 H new ATOM 0 HA ARG A 29 57.816 -12.113 -17.334 1.00 15.21 H new ATOM 0 HB2 ARG A 29 58.687 -9.897 -18.084 1.00 53.45 H new ATOM 0 HB3 ARG A 29 59.213 -10.621 -19.591 1.00 53.45 H new ATOM 0 HG2 ARG A 29 56.824 -11.231 -20.079 1.00 41.44 H new ATOM 0 HG3 ARG A 29 56.343 -10.387 -18.620 1.00 41.44 H new ATOM 0 HD2 ARG A 29 57.769 -9.160 -21.014 1.00 1.41 H new ATOM 0 HD3 ARG A 29 56.081 -8.943 -20.598 1.00 1.41 H new ATOM 0 HE ARG A 29 56.970 -7.873 -18.427 1.00 42.11 H new ATOM 0 HH11 ARG A 29 58.793 -7.878 -21.461 1.00 14.43 H new ATOM 0 HH12 ARG A 29 59.641 -6.375 -21.083 1.00 14.43 H new ATOM 0 HH21 ARG A 29 58.052 -5.950 -17.962 1.00 21.35 H new ATOM 0 HH22 ARG A 29 59.222 -5.288 -19.108 1.00 21.35 H new ATOM 456 N CYS A 30 57.224 -13.861 -18.961 1.00 53.14 N ATOM 457 CA CYS A 30 56.840 -14.906 -19.896 1.00 13.35 C ATOM 458 C CYS A 30 56.416 -14.279 -21.216 1.00 23.11 C ATOM 459 O CYS A 30 55.602 -13.362 -21.242 1.00 13.32 O ATOM 460 CB CYS A 30 55.696 -15.751 -19.325 1.00 24.13 C ATOM 461 SG CYS A 30 55.290 -17.208 -20.320 1.00 1.33 S ATOM 0 H CYS A 30 56.569 -13.724 -18.191 1.00 53.14 H new ATOM 0 HA CYS A 30 57.697 -15.559 -20.063 1.00 13.35 H new ATOM 0 HB2 CYS A 30 55.963 -16.074 -18.319 1.00 24.13 H new ATOM 0 HB3 CYS A 30 54.807 -15.127 -19.234 1.00 24.13 H new ATOM 0 HG CYS A 30 54.315 -17.859 -19.758 1.00 1.33 H new ATOM 466 N ILE A 31 56.960 -14.785 -22.304 1.00 13.20 N ATOM 467 CA ILE A 31 56.711 -14.210 -23.617 1.00 62.43 C ATOM 468 C ILE A 31 55.466 -14.816 -24.246 1.00 64.12 C ATOM 469 O ILE A 31 54.908 -14.273 -25.199 1.00 21.10 O ATOM 470 CB ILE A 31 57.912 -14.410 -24.566 1.00 61.10 C ATOM 471 CG1 ILE A 31 58.208 -15.905 -24.746 1.00 2.21 C ATOM 472 CG2 ILE A 31 59.132 -13.674 -24.026 1.00 12.21 C ATOM 473 CD1 ILE A 31 59.351 -16.197 -25.693 1.00 74.30 C ATOM 0 H ILE A 31 57.579 -15.595 -22.308 1.00 13.20 H new ATOM 0 HA ILE A 31 56.560 -13.140 -23.471 1.00 62.43 H new ATOM 0 HB ILE A 31 57.665 -13.995 -25.543 1.00 61.10 H new ATOM 0 HG12 ILE A 31 58.436 -16.339 -23.773 1.00 2.21 H new ATOM 0 HG13 ILE A 31 57.310 -16.401 -25.114 1.00 2.21 H new ATOM 0 HG21 ILE A 31 59.974 -13.821 -24.702 1.00 12.21 H new ATOM 0 HG22 ILE A 31 58.910 -12.610 -23.949 1.00 12.21 H new ATOM 0 HG23 ILE A 31 59.386 -14.064 -23.040 1.00 12.21 H new ATOM 0 HD11 ILE A 31 59.497 -17.275 -25.766 1.00 74.30 H new ATOM 0 HD12 ILE A 31 59.118 -15.795 -26.679 1.00 74.30 H new ATOM 0 HD13 ILE A 31 60.263 -15.732 -25.317 1.00 74.30 H new ATOM 485 N GLN A 32 55.029 -15.945 -23.703 1.00 51.33 N ATOM 486 CA GLN A 32 53.862 -16.631 -24.227 1.00 23.44 C ATOM 487 C GLN A 32 52.583 -15.907 -23.827 1.00 13.04 C ATOM 488 O GLN A 32 51.660 -15.774 -24.628 1.00 35.13 O ATOM 489 CB GLN A 32 53.806 -18.081 -23.735 1.00 55.24 C ATOM 490 CG GLN A 32 54.958 -18.958 -24.210 1.00 33.15 C ATOM 491 CD GLN A 32 55.136 -18.948 -25.719 1.00 11.55 C ATOM 492 OE1 GLN A 32 54.189 -18.722 -26.473 1.00 42.33 O ATOM 493 NE2 GLN A 32 56.346 -19.233 -26.168 1.00 22.30 N ATOM 0 H GLN A 32 55.466 -16.402 -22.902 1.00 51.33 H new ATOM 0 HA GLN A 32 53.945 -16.633 -25.314 1.00 23.44 H new ATOM 0 HB2 GLN A 32 53.793 -18.081 -22.645 1.00 55.24 H new ATOM 0 HB3 GLN A 32 52.868 -18.527 -24.065 1.00 55.24 H new ATOM 0 HG2 GLN A 32 55.881 -18.620 -23.740 1.00 33.15 H new ATOM 0 HG3 GLN A 32 54.787 -19.982 -23.878 1.00 33.15 H new ATOM 0 HE21 GLN A 32 57.104 -19.414 -25.510 1.00 22.30 H new ATOM 0 HE22 GLN A 32 56.521 -19.272 -27.172 1.00 22.30 H new ATOM 502 N CYS A 33 52.536 -15.427 -22.592 1.00 2.20 N ATOM 503 CA CYS A 33 51.312 -14.808 -22.084 1.00 22.24 C ATOM 504 C CYS A 33 51.558 -13.428 -21.480 1.00 72.42 C ATOM 505 O CYS A 33 50.659 -12.588 -21.463 1.00 22.31 O ATOM 506 CB CYS A 33 50.640 -15.725 -21.062 1.00 41.11 C ATOM 507 SG CYS A 33 51.733 -16.295 -19.742 1.00 25.30 S ATOM 0 H CYS A 33 53.313 -15.451 -21.932 1.00 2.20 H new ATOM 0 HA CYS A 33 50.648 -14.667 -22.937 1.00 22.24 H new ATOM 0 HB2 CYS A 33 49.797 -15.197 -20.617 1.00 41.11 H new ATOM 0 HB3 CYS A 33 50.234 -16.593 -21.582 1.00 41.11 H new ATOM 0 HG CYS A 33 52.912 -16.542 -20.231 1.00 25.30 H new ATOM 512 N GLY A 34 52.764 -13.185 -20.989 1.00 75.22 N ATOM 513 CA GLY A 34 53.069 -11.887 -20.416 1.00 61.15 C ATOM 514 C GLY A 34 53.206 -11.937 -18.909 1.00 41.20 C ATOM 515 O GLY A 34 53.432 -10.911 -18.270 1.00 65.41 O ATOM 0 H GLY A 34 53.532 -13.856 -20.976 1.00 75.22 H new ATOM 0 HA2 GLY A 34 53.995 -11.510 -20.850 1.00 61.15 H new ATOM 0 HA3 GLY A 34 52.282 -11.181 -20.683 1.00 61.15 H new ATOM 519 N PHE A 35 53.061 -13.131 -18.343 1.00 44.34 N ATOM 520 CA PHE A 35 53.216 -13.334 -16.905 1.00 63.14 C ATOM 521 C PHE A 35 54.608 -12.908 -16.449 1.00 62.11 C ATOM 522 O PHE A 35 55.610 -13.508 -16.840 1.00 22.11 O ATOM 523 CB PHE A 35 52.970 -14.806 -16.554 1.00 51.10 C ATOM 524 CG PHE A 35 53.234 -15.152 -15.111 1.00 71.33 C ATOM 525 CD1 PHE A 35 52.306 -14.850 -14.128 1.00 34.34 C ATOM 526 CD2 PHE A 35 54.411 -15.787 -14.743 1.00 75.13 C ATOM 527 CE1 PHE A 35 52.547 -15.175 -12.806 1.00 61.43 C ATOM 528 CE2 PHE A 35 54.657 -16.113 -13.422 1.00 63.43 C ATOM 529 CZ PHE A 35 53.724 -15.807 -12.453 1.00 22.21 C ATOM 0 H PHE A 35 52.835 -13.979 -18.862 1.00 44.34 H new ATOM 0 HA PHE A 35 52.482 -12.718 -16.386 1.00 63.14 H new ATOM 0 HB2 PHE A 35 51.936 -15.056 -16.792 1.00 51.10 H new ATOM 0 HB3 PHE A 35 53.603 -15.429 -17.186 1.00 51.10 H new ATOM 0 HD1 PHE A 35 51.384 -14.355 -14.397 1.00 34.34 H new ATOM 0 HD2 PHE A 35 55.144 -16.030 -15.498 1.00 75.13 H new ATOM 0 HE1 PHE A 35 51.815 -14.935 -12.049 1.00 61.43 H new ATOM 0 HE2 PHE A 35 55.578 -16.606 -13.149 1.00 63.43 H new ATOM 0 HZ PHE A 35 53.913 -16.061 -11.420 1.00 22.21 H new ATOM 539 N GLU A 36 54.664 -11.855 -15.650 1.00 21.30 N ATOM 540 CA GLU A 36 55.922 -11.351 -15.134 1.00 35.33 C ATOM 541 C GLU A 36 56.186 -11.877 -13.734 1.00 44.03 C ATOM 542 O GLU A 36 55.332 -11.795 -12.853 1.00 52.25 O ATOM 543 CB GLU A 36 55.912 -9.826 -15.128 1.00 30.54 C ATOM 544 CG GLU A 36 55.989 -9.226 -16.515 1.00 13.22 C ATOM 545 CD GLU A 36 55.610 -7.765 -16.540 1.00 51.45 C ATOM 546 OE1 GLU A 36 54.425 -7.453 -16.292 1.00 54.43 O ATOM 547 OE2 GLU A 36 56.490 -6.927 -16.822 1.00 35.32 O ATOM 0 H GLU A 36 53.845 -11.330 -15.344 1.00 21.30 H new ATOM 0 HA GLU A 36 56.723 -11.701 -15.786 1.00 35.33 H new ATOM 0 HB2 GLU A 36 55.003 -9.477 -14.638 1.00 30.54 H new ATOM 0 HB3 GLU A 36 56.753 -9.465 -14.536 1.00 30.54 H new ATOM 0 HG2 GLU A 36 57.002 -9.341 -16.900 1.00 13.22 H new ATOM 0 HG3 GLU A 36 55.329 -9.780 -17.183 1.00 13.22 H new ATOM 554 N TYR A 37 57.365 -12.433 -13.551 1.00 71.04 N ATOM 555 CA TYR A 37 57.794 -12.903 -12.249 1.00 2.31 C ATOM 556 C TYR A 37 58.872 -11.995 -11.683 1.00 2.10 C ATOM 557 O TYR A 37 60.015 -12.007 -12.144 1.00 33.24 O ATOM 558 CB TYR A 37 58.316 -14.343 -12.327 1.00 64.22 C ATOM 559 CG TYR A 37 59.015 -14.796 -11.061 1.00 22.51 C ATOM 560 CD1 TYR A 37 58.293 -15.145 -9.929 1.00 13.05 C ATOM 561 CD2 TYR A 37 60.403 -14.861 -10.997 1.00 34.02 C ATOM 562 CE1 TYR A 37 58.933 -15.544 -8.769 1.00 32.50 C ATOM 563 CE2 TYR A 37 61.049 -15.256 -9.843 1.00 42.11 C ATOM 564 CZ TYR A 37 60.311 -15.599 -8.730 1.00 3.33 C ATOM 565 OH TYR A 37 60.951 -15.991 -7.574 1.00 35.44 O ATOM 0 H TYR A 37 58.050 -12.572 -14.294 1.00 71.04 H new ATOM 0 HA TYR A 37 56.928 -12.884 -11.587 1.00 2.31 H new ATOM 0 HB2 TYR A 37 57.482 -15.014 -12.533 1.00 64.22 H new ATOM 0 HB3 TYR A 37 59.007 -14.427 -13.165 1.00 64.22 H new ATOM 0 HD1 TYR A 37 57.214 -15.105 -9.954 1.00 13.05 H new ATOM 0 HD2 TYR A 37 60.986 -14.597 -11.867 1.00 34.02 H new ATOM 0 HE1 TYR A 37 58.355 -15.812 -7.897 1.00 32.50 H new ATOM 0 HE2 TYR A 37 62.128 -15.296 -9.812 1.00 42.11 H new ATOM 0 HH TYR A 37 61.829 -15.559 -7.524 1.00 35.44 H new ATOM 575 N ASP A 38 58.499 -11.188 -10.708 1.00 70.50 N ATOM 576 CA ASP A 38 59.469 -10.403 -9.962 1.00 10.30 C ATOM 577 C ASP A 38 60.031 -11.260 -8.842 1.00 4.53 C ATOM 578 O ASP A 38 59.265 -11.846 -8.077 1.00 73.13 O ATOM 579 CB ASP A 38 58.826 -9.148 -9.354 1.00 64.12 C ATOM 580 CG ASP A 38 58.166 -8.245 -10.378 1.00 45.13 C ATOM 581 OD1 ASP A 38 58.852 -7.356 -10.922 1.00 51.42 O ATOM 582 OD2 ASP A 38 56.950 -8.399 -10.615 1.00 30.54 O ATOM 0 H ASP A 38 57.531 -11.058 -10.413 1.00 70.50 H new ATOM 0 HA ASP A 38 60.257 -10.087 -10.645 1.00 10.30 H new ATOM 0 HB2 ASP A 38 58.082 -9.452 -8.617 1.00 64.12 H new ATOM 0 HB3 ASP A 38 59.589 -8.581 -8.821 1.00 64.12 H new ATOM 587 N GLU A 39 61.352 -11.345 -8.736 1.00 21.24 N ATOM 588 CA GLU A 39 61.970 -12.098 -7.647 1.00 73.35 C ATOM 589 C GLU A 39 61.588 -11.492 -6.301 1.00 61.05 C ATOM 590 O GLU A 39 61.537 -12.182 -5.287 1.00 14.23 O ATOM 591 CB GLU A 39 63.493 -12.123 -7.785 1.00 3.15 C ATOM 592 CG GLU A 39 63.999 -12.867 -9.007 1.00 2.32 C ATOM 593 CD GLU A 39 65.513 -12.888 -9.073 1.00 31.30 C ATOM 594 OE1 GLU A 39 66.129 -11.819 -8.868 1.00 42.02 O ATOM 595 OE2 GLU A 39 66.091 -13.971 -9.323 1.00 61.24 O ATOM 0 H GLU A 39 62.010 -10.908 -9.381 1.00 21.24 H new ATOM 0 HA GLU A 39 61.602 -13.122 -7.701 1.00 73.35 H new ATOM 0 HB2 GLU A 39 63.859 -11.097 -7.822 1.00 3.15 H new ATOM 0 HB3 GLU A 39 63.919 -12.582 -6.893 1.00 3.15 H new ATOM 0 HG2 GLU A 39 63.623 -13.890 -8.990 1.00 2.32 H new ATOM 0 HG3 GLU A 39 63.603 -12.397 -9.907 1.00 2.32 H new ATOM 602 N ALA A 40 61.297 -10.193 -6.307 1.00 41.21 N ATOM 603 CA ALA A 40 60.903 -9.485 -5.096 1.00 41.44 C ATOM 604 C ALA A 40 59.440 -9.750 -4.755 1.00 73.14 C ATOM 605 O ALA A 40 58.988 -9.459 -3.649 1.00 63.31 O ATOM 606 CB ALA A 40 61.146 -7.993 -5.254 1.00 64.54 C ATOM 0 H ALA A 40 61.328 -9.609 -7.143 1.00 41.21 H new ATOM 0 HA ALA A 40 61.514 -9.857 -4.274 1.00 41.44 H new ATOM 0 HB1 ALA A 40 60.847 -7.477 -4.342 1.00 64.54 H new ATOM 0 HB2 ALA A 40 62.205 -7.815 -5.441 1.00 64.54 H new ATOM 0 HB3 ALA A 40 60.561 -7.616 -6.093 1.00 64.54 H new ATOM 612 N LEU A 41 58.709 -10.298 -5.714 1.00 35.01 N ATOM 613 CA LEU A 41 57.301 -10.608 -5.524 1.00 43.03 C ATOM 614 C LEU A 41 57.134 -12.082 -5.182 1.00 41.24 C ATOM 615 O LEU A 41 56.462 -12.434 -4.213 1.00 5.12 O ATOM 616 CB LEU A 41 56.511 -10.271 -6.791 1.00 54.42 C ATOM 617 CG LEU A 41 55.006 -10.543 -6.724 1.00 52.33 C ATOM 618 CD1 LEU A 41 54.346 -9.668 -5.669 1.00 54.05 C ATOM 619 CD2 LEU A 41 54.369 -10.323 -8.085 1.00 50.10 C ATOM 0 H LEU A 41 59.071 -10.538 -6.637 1.00 35.01 H new ATOM 0 HA LEU A 41 56.916 -10.007 -4.700 1.00 43.03 H new ATOM 0 HB2 LEU A 41 56.662 -9.216 -7.022 1.00 54.42 H new ATOM 0 HB3 LEU A 41 56.929 -10.842 -7.621 1.00 54.42 H new ATOM 0 HG LEU A 41 54.855 -11.584 -6.438 1.00 52.33 H new ATOM 0 HD11 LEU A 41 53.277 -9.878 -5.639 1.00 54.05 H new ATOM 0 HD12 LEU A 41 54.785 -9.880 -4.694 1.00 54.05 H new ATOM 0 HD13 LEU A 41 54.503 -8.618 -5.917 1.00 54.05 H new ATOM 0 HD21 LEU A 41 53.299 -10.520 -8.022 1.00 50.10 H new ATOM 0 HD22 LEU A 41 54.530 -9.292 -8.400 1.00 50.10 H new ATOM 0 HD23 LEU A 41 54.820 -10.999 -8.811 1.00 50.10 H new ATOM 631 N GLY A 42 57.767 -12.933 -5.977 1.00 60.35 N ATOM 632 CA GLY A 42 57.646 -14.359 -5.781 1.00 65.42 C ATOM 633 C GLY A 42 56.335 -14.890 -6.322 1.00 1.31 C ATOM 634 O GLY A 42 55.652 -14.212 -7.090 1.00 22.32 O ATOM 0 H GLY A 42 58.364 -12.657 -6.757 1.00 60.35 H new ATOM 0 HA2 GLY A 42 58.475 -14.866 -6.275 1.00 65.42 H new ATOM 0 HA3 GLY A 42 57.720 -14.588 -4.718 1.00 65.42 H new ATOM 638 N TRP A 43 55.990 -16.104 -5.932 1.00 34.01 N ATOM 639 CA TRP A 43 54.730 -16.702 -6.331 1.00 72.13 C ATOM 640 C TRP A 43 54.285 -17.704 -5.274 1.00 1.53 C ATOM 641 O TRP A 43 54.596 -18.896 -5.343 1.00 0.54 O ATOM 642 CB TRP A 43 54.845 -17.372 -7.701 1.00 22.21 C ATOM 643 CG TRP A 43 53.516 -17.755 -8.283 1.00 61.44 C ATOM 644 CD1 TRP A 43 53.006 -19.014 -8.400 1.00 62.34 C ATOM 645 CD2 TRP A 43 52.529 -16.871 -8.820 1.00 75.12 C ATOM 646 NE1 TRP A 43 51.762 -18.968 -8.979 1.00 5.33 N ATOM 647 CE2 TRP A 43 51.447 -17.664 -9.248 1.00 2.33 C ATOM 648 CE3 TRP A 43 52.454 -15.483 -8.984 1.00 21.30 C ATOM 649 CZ2 TRP A 43 50.304 -17.115 -9.825 1.00 1.21 C ATOM 650 CZ3 TRP A 43 51.317 -14.942 -9.556 1.00 45.00 C ATOM 651 CH2 TRP A 43 50.258 -15.756 -9.971 1.00 72.01 C ATOM 0 H TRP A 43 56.568 -16.697 -5.337 1.00 34.01 H new ATOM 0 HA TRP A 43 53.980 -15.915 -6.415 1.00 72.13 H new ATOM 0 HB2 TRP A 43 55.354 -16.696 -8.388 1.00 22.21 H new ATOM 0 HB3 TRP A 43 55.466 -18.263 -7.612 1.00 22.21 H new ATOM 0 HD1 TRP A 43 53.508 -19.916 -8.083 1.00 62.34 H new ATOM 0 HE1 TRP A 43 51.169 -19.774 -9.176 1.00 5.33 H new ATOM 0 HE3 TRP A 43 53.268 -14.847 -8.670 1.00 21.30 H new ATOM 0 HZ2 TRP A 43 49.484 -17.740 -10.145 1.00 1.21 H new ATOM 0 HZ3 TRP A 43 51.246 -13.872 -9.685 1.00 45.00 H new ATOM 0 HH2 TRP A 43 49.385 -15.302 -10.416 1.00 72.01 H new ATOM 662 N PRO A 44 53.550 -17.216 -4.268 1.00 45.41 N ATOM 663 CA PRO A 44 53.162 -18.013 -3.105 1.00 41.22 C ATOM 664 C PRO A 44 52.212 -19.146 -3.467 1.00 43.31 C ATOM 665 O PRO A 44 52.170 -20.171 -2.789 1.00 52.04 O ATOM 666 CB PRO A 44 52.464 -17.013 -2.175 1.00 1.41 C ATOM 667 CG PRO A 44 52.754 -15.658 -2.732 1.00 43.31 C ATOM 668 CD PRO A 44 53.023 -15.846 -4.196 1.00 12.02 C ATOM 0 HA PRO A 44 54.028 -18.495 -2.651 1.00 41.22 H new ATOM 0 HB2 PRO A 44 51.390 -17.198 -2.139 1.00 1.41 H new ATOM 0 HB3 PRO A 44 52.837 -17.103 -1.155 1.00 1.41 H new ATOM 0 HG2 PRO A 44 51.910 -14.986 -2.576 1.00 43.31 H new ATOM 0 HG3 PRO A 44 53.614 -15.210 -2.234 1.00 43.31 H new ATOM 0 HD2 PRO A 44 52.116 -15.732 -4.790 1.00 12.02 H new ATOM 0 HD3 PRO A 44 53.743 -15.118 -4.570 1.00 12.02 H new ATOM 676 N GLU A 45 51.473 -18.966 -4.555 1.00 52.10 N ATOM 677 CA GLU A 45 50.483 -19.947 -4.992 1.00 33.11 C ATOM 678 C GLU A 45 51.139 -21.238 -5.481 1.00 32.45 C ATOM 679 O GLU A 45 50.477 -22.266 -5.623 1.00 53.21 O ATOM 680 CB GLU A 45 49.593 -19.344 -6.080 1.00 63.41 C ATOM 681 CG GLU A 45 48.859 -18.097 -5.615 1.00 44.43 C ATOM 682 CD GLU A 45 47.843 -17.599 -6.618 1.00 32.53 C ATOM 683 OE1 GLU A 45 46.686 -18.066 -6.572 1.00 61.31 O ATOM 684 OE2 GLU A 45 48.188 -16.732 -7.442 1.00 63.33 O ATOM 0 H GLU A 45 51.540 -18.144 -5.156 1.00 52.10 H new ATOM 0 HA GLU A 45 49.866 -20.207 -4.132 1.00 33.11 H new ATOM 0 HB2 GLU A 45 50.204 -19.098 -6.948 1.00 63.41 H new ATOM 0 HB3 GLU A 45 48.866 -20.089 -6.403 1.00 63.41 H new ATOM 0 HG2 GLU A 45 48.356 -18.309 -4.672 1.00 44.43 H new ATOM 0 HG3 GLU A 45 49.584 -17.307 -5.419 1.00 44.43 H new ATOM 691 N ASP A 46 52.439 -21.183 -5.744 1.00 54.25 N ATOM 692 CA ASP A 46 53.193 -22.380 -6.103 1.00 30.40 C ATOM 693 C ASP A 46 54.133 -22.766 -4.970 1.00 61.32 C ATOM 694 O ASP A 46 54.532 -23.926 -4.837 1.00 73.23 O ATOM 695 CB ASP A 46 53.995 -22.149 -7.385 1.00 23.20 C ATOM 696 CG ASP A 46 54.839 -23.346 -7.771 1.00 70.52 C ATOM 697 OD1 ASP A 46 54.292 -24.305 -8.352 1.00 44.11 O ATOM 698 OD2 ASP A 46 56.055 -23.332 -7.497 1.00 44.22 O ATOM 0 H ASP A 46 52.992 -20.326 -5.716 1.00 54.25 H new ATOM 0 HA ASP A 46 52.486 -23.191 -6.275 1.00 30.40 H new ATOM 0 HB2 ASP A 46 53.310 -21.915 -8.200 1.00 23.20 H new ATOM 0 HB3 ASP A 46 54.641 -21.281 -7.253 1.00 23.20 H new ATOM 703 N GLY A 47 54.455 -21.792 -4.133 1.00 73.12 N ATOM 704 CA GLY A 47 55.374 -22.028 -3.043 1.00 12.11 C ATOM 705 C GLY A 47 56.693 -21.313 -3.243 1.00 64.11 C ATOM 706 O GLY A 47 57.717 -21.722 -2.698 1.00 22.42 O ATOM 0 H GLY A 47 54.094 -20.840 -4.191 1.00 73.12 H new ATOM 0 HA2 GLY A 47 54.920 -21.696 -2.109 1.00 12.11 H new ATOM 0 HA3 GLY A 47 55.554 -23.099 -2.947 1.00 12.11 H new ATOM 710 N ILE A 48 56.673 -20.255 -4.040 1.00 0.01 N ATOM 711 CA ILE A 48 57.859 -19.445 -4.267 1.00 25.24 C ATOM 712 C ILE A 48 57.806 -18.196 -3.392 1.00 62.01 C ATOM 713 O ILE A 48 56.944 -17.337 -3.579 1.00 62.43 O ATOM 714 CB ILE A 48 57.980 -19.022 -5.750 1.00 14.52 C ATOM 715 CG1 ILE A 48 57.897 -20.241 -6.679 1.00 71.30 C ATOM 716 CG2 ILE A 48 59.277 -18.263 -5.988 1.00 22.34 C ATOM 717 CD1 ILE A 48 59.007 -21.250 -6.473 1.00 43.03 C ATOM 0 H ILE A 48 55.844 -19.937 -4.542 1.00 0.01 H new ATOM 0 HA ILE A 48 58.729 -20.048 -4.009 1.00 25.24 H new ATOM 0 HB ILE A 48 57.144 -18.361 -5.979 1.00 14.52 H new ATOM 0 HG12 ILE A 48 56.938 -20.736 -6.527 1.00 71.30 H new ATOM 0 HG13 ILE A 48 57.919 -19.898 -7.714 1.00 71.30 H new ATOM 0 HG21 ILE A 48 59.343 -17.975 -7.037 1.00 22.34 H new ATOM 0 HG22 ILE A 48 59.295 -17.369 -5.364 1.00 22.34 H new ATOM 0 HG23 ILE A 48 60.124 -18.901 -5.733 1.00 22.34 H new ATOM 0 HD11 ILE A 48 58.877 -22.081 -7.167 1.00 43.03 H new ATOM 0 HD12 ILE A 48 59.970 -20.773 -6.654 1.00 43.03 H new ATOM 0 HD13 ILE A 48 58.974 -21.624 -5.450 1.00 43.03 H new ATOM 729 N ALA A 49 58.720 -18.102 -2.438 1.00 31.20 N ATOM 730 CA ALA A 49 58.715 -16.999 -1.485 1.00 5.11 C ATOM 731 C ALA A 49 59.317 -15.735 -2.088 1.00 32.55 C ATOM 732 O ALA A 49 60.192 -15.794 -2.960 1.00 44.13 O ATOM 733 CB ALA A 49 59.472 -17.389 -0.223 1.00 50.42 C ATOM 0 H ALA A 49 59.475 -18.775 -2.302 1.00 31.20 H new ATOM 0 HA ALA A 49 57.677 -16.786 -1.230 1.00 5.11 H new ATOM 0 HB1 ALA A 49 59.461 -16.556 0.480 1.00 50.42 H new ATOM 0 HB2 ALA A 49 58.995 -18.256 0.234 1.00 50.42 H new ATOM 0 HB3 ALA A 49 60.503 -17.634 -0.478 1.00 50.42 H new ATOM 739 N ALA A 50 58.843 -14.594 -1.615 1.00 43.33 N ATOM 740 CA ALA A 50 59.372 -13.316 -2.051 1.00 31.42 C ATOM 741 C ALA A 50 60.850 -13.218 -1.696 1.00 65.35 C ATOM 742 O ALA A 50 61.231 -13.346 -0.531 1.00 33.24 O ATOM 743 CB ALA A 50 58.590 -12.173 -1.423 1.00 12.13 C ATOM 0 H ALA A 50 58.092 -14.529 -0.928 1.00 43.33 H new ATOM 0 HA ALA A 50 59.268 -13.241 -3.133 1.00 31.42 H new ATOM 0 HB1 ALA A 50 59.001 -11.222 -1.761 1.00 12.13 H new ATOM 0 HB2 ALA A 50 57.543 -12.242 -1.719 1.00 12.13 H new ATOM 0 HB3 ALA A 50 58.664 -12.235 -0.337 1.00 12.13 H new ATOM 749 N GLY A 51 61.677 -13.005 -2.704 1.00 23.11 N ATOM 750 CA GLY A 51 63.105 -12.971 -2.493 1.00 51.21 C ATOM 751 C GLY A 51 63.799 -14.191 -3.064 1.00 12.22 C ATOM 752 O GLY A 51 65.030 -14.238 -3.120 1.00 44.15 O ATOM 0 H GLY A 51 61.383 -12.854 -3.669 1.00 23.11 H new ATOM 0 HA2 GLY A 51 63.517 -12.073 -2.953 1.00 51.21 H new ATOM 0 HA3 GLY A 51 63.311 -12.905 -1.425 1.00 51.21 H new ATOM 756 N THR A 52 63.020 -15.183 -3.491 1.00 34.23 N ATOM 757 CA THR A 52 63.591 -16.371 -4.116 1.00 72.11 C ATOM 758 C THR A 52 64.193 -16.025 -5.476 1.00 32.45 C ATOM 759 O THR A 52 63.511 -15.491 -6.352 1.00 11.25 O ATOM 760 CB THR A 52 62.538 -17.488 -4.292 1.00 4.53 C ATOM 761 OG1 THR A 52 61.907 -17.769 -3.034 1.00 61.21 O ATOM 762 CG2 THR A 52 63.178 -18.759 -4.835 1.00 63.31 C ATOM 0 H THR A 52 62.003 -15.188 -3.416 1.00 34.23 H new ATOM 0 HA THR A 52 64.374 -16.738 -3.452 1.00 72.11 H new ATOM 0 HB THR A 52 61.792 -17.141 -5.007 1.00 4.53 H new ATOM 0 HG1 THR A 52 61.092 -17.232 -2.950 1.00 61.21 H new ATOM 0 HG21 THR A 52 62.416 -19.530 -4.950 1.00 63.31 H new ATOM 0 HG22 THR A 52 63.633 -18.552 -5.803 1.00 63.31 H new ATOM 0 HG23 THR A 52 63.943 -19.106 -4.141 1.00 63.31 H new ATOM 770 N ARG A 53 65.476 -16.317 -5.633 1.00 11.11 N ATOM 771 CA ARG A 53 66.181 -16.045 -6.874 1.00 1.42 C ATOM 772 C ARG A 53 65.865 -17.099 -7.931 1.00 24.11 C ATOM 773 O ARG A 53 65.638 -18.269 -7.614 1.00 33.21 O ATOM 774 CB ARG A 53 67.688 -15.975 -6.611 1.00 42.33 C ATOM 775 CG ARG A 53 68.120 -14.660 -5.981 1.00 70.11 C ATOM 776 CD ARG A 53 68.200 -13.559 -7.027 1.00 62.02 C ATOM 777 NE ARG A 53 68.200 -12.218 -6.439 1.00 73.44 N ATOM 778 CZ ARG A 53 69.112 -11.282 -6.713 1.00 34.42 C ATOM 779 NH1 ARG A 53 70.185 -11.580 -7.435 1.00 5.03 N ATOM 780 NH2 ARG A 53 68.960 -10.048 -6.245 1.00 20.33 N ATOM 0 H ARG A 53 66.053 -16.746 -4.909 1.00 11.11 H new ATOM 0 HA ARG A 53 65.844 -15.083 -7.259 1.00 1.42 H new ATOM 0 HB2 ARG A 53 67.976 -16.797 -5.956 1.00 42.33 H new ATOM 0 HB3 ARG A 53 68.222 -16.114 -7.551 1.00 42.33 H new ATOM 0 HG2 ARG A 53 67.413 -14.376 -5.201 1.00 70.11 H new ATOM 0 HG3 ARG A 53 69.091 -14.783 -5.502 1.00 70.11 H new ATOM 0 HD2 ARG A 53 69.106 -13.691 -7.619 1.00 62.02 H new ATOM 0 HD3 ARG A 53 67.356 -13.651 -7.711 1.00 62.02 H new ATOM 0 HE ARG A 53 67.458 -11.985 -5.780 1.00 73.44 H new ATOM 0 HH11 ARG A 53 70.317 -12.529 -7.784 1.00 5.03 H new ATOM 0 HH12 ARG A 53 70.878 -10.860 -7.640 1.00 5.03 H new ATOM 0 HH21 ARG A 53 68.146 -9.815 -5.676 1.00 20.33 H new ATOM 0 HH22 ARG A 53 69.657 -9.334 -6.455 1.00 20.33 H new ATOM 794 N TRP A 54 65.855 -16.664 -9.182 1.00 75.02 N ATOM 795 CA TRP A 54 65.528 -17.516 -10.326 1.00 4.51 C ATOM 796 C TRP A 54 66.443 -18.743 -10.408 1.00 51.50 C ATOM 797 O TRP A 54 66.046 -19.786 -10.933 1.00 53.22 O ATOM 798 CB TRP A 54 65.636 -16.683 -11.606 1.00 14.02 C ATOM 799 CG TRP A 54 65.145 -17.367 -12.847 1.00 2.34 C ATOM 800 CD1 TRP A 54 65.906 -17.972 -13.802 1.00 3.31 C ATOM 801 CD2 TRP A 54 63.783 -17.491 -13.280 1.00 24.15 C ATOM 802 NE1 TRP A 54 65.105 -18.462 -14.804 1.00 35.15 N ATOM 803 CE2 TRP A 54 63.797 -18.182 -14.505 1.00 51.34 C ATOM 804 CE3 TRP A 54 62.555 -17.089 -12.749 1.00 75.45 C ATOM 805 CZ2 TRP A 54 62.631 -18.473 -15.209 1.00 72.10 C ATOM 806 CZ3 TRP A 54 61.399 -17.380 -13.449 1.00 62.21 C ATOM 807 CH2 TRP A 54 61.445 -18.068 -14.666 1.00 44.10 C ATOM 0 H TRP A 54 66.075 -15.702 -9.439 1.00 75.02 H new ATOM 0 HA TRP A 54 64.511 -17.888 -10.203 1.00 4.51 H new ATOM 0 HB2 TRP A 54 65.073 -15.760 -11.470 1.00 14.02 H new ATOM 0 HB3 TRP A 54 66.679 -16.401 -11.752 1.00 14.02 H new ATOM 0 HD1 TRP A 54 66.983 -18.054 -13.775 1.00 3.31 H new ATOM 0 HE1 TRP A 54 65.431 -18.954 -15.636 1.00 35.15 H new ATOM 0 HE3 TRP A 54 62.510 -16.560 -11.808 1.00 75.45 H new ATOM 0 HZ2 TRP A 54 62.664 -19.000 -16.151 1.00 72.10 H new ATOM 0 HZ3 TRP A 54 60.444 -17.071 -13.050 1.00 62.21 H new ATOM 0 HH2 TRP A 54 60.524 -18.283 -15.187 1.00 44.10 H new ATOM 818 N ASP A 55 67.657 -18.617 -9.878 1.00 34.41 N ATOM 819 CA ASP A 55 68.625 -19.714 -9.900 1.00 13.53 C ATOM 820 C ASP A 55 68.225 -20.814 -8.924 1.00 43.20 C ATOM 821 O ASP A 55 68.527 -21.990 -9.134 1.00 13.14 O ATOM 822 CB ASP A 55 70.028 -19.216 -9.543 1.00 34.21 C ATOM 823 CG ASP A 55 70.575 -18.225 -10.548 1.00 1.12 C ATOM 824 OD1 ASP A 55 70.919 -18.642 -11.673 1.00 31.21 O ATOM 825 OD2 ASP A 55 70.670 -17.027 -10.216 1.00 31.22 O ATOM 0 H ASP A 55 67.995 -17.767 -9.428 1.00 34.41 H new ATOM 0 HA ASP A 55 68.634 -20.117 -10.913 1.00 13.53 H new ATOM 0 HB2 ASP A 55 70.003 -18.750 -8.558 1.00 34.21 H new ATOM 0 HB3 ASP A 55 70.704 -20.068 -9.476 1.00 34.21 H new ATOM 830 N ASP A 56 67.545 -20.425 -7.854 1.00 74.00 N ATOM 831 CA ASP A 56 67.124 -21.373 -6.830 1.00 13.50 C ATOM 832 C ASP A 56 65.834 -22.058 -7.243 1.00 35.01 C ATOM 833 O ASP A 56 65.490 -23.130 -6.742 1.00 73.34 O ATOM 834 CB ASP A 56 66.950 -20.673 -5.483 1.00 10.43 C ATOM 835 CG ASP A 56 68.279 -20.313 -4.854 1.00 24.32 C ATOM 836 OD1 ASP A 56 68.839 -21.160 -4.129 1.00 73.21 O ATOM 837 OD2 ASP A 56 68.775 -19.191 -5.088 1.00 45.42 O ATOM 0 H ASP A 56 67.273 -19.459 -7.672 1.00 74.00 H new ATOM 0 HA ASP A 56 67.901 -22.130 -6.723 1.00 13.50 H new ATOM 0 HB2 ASP A 56 66.357 -19.769 -5.619 1.00 10.43 H new ATOM 0 HB3 ASP A 56 66.393 -21.322 -4.807 1.00 10.43 H new ATOM 842 N ILE A 57 65.126 -21.428 -8.162 1.00 54.25 N ATOM 843 CA ILE A 57 63.925 -22.013 -8.726 1.00 24.31 C ATOM 844 C ILE A 57 64.306 -23.115 -9.710 1.00 43.24 C ATOM 845 O ILE A 57 65.042 -22.864 -10.665 1.00 14.33 O ATOM 846 CB ILE A 57 63.077 -20.947 -9.451 1.00 73.12 C ATOM 847 CG1 ILE A 57 62.719 -19.814 -8.490 1.00 25.30 C ATOM 848 CG2 ILE A 57 61.818 -21.567 -10.040 1.00 13.22 C ATOM 849 CD1 ILE A 57 61.966 -18.683 -9.149 1.00 14.05 C ATOM 0 H ILE A 57 65.363 -20.508 -8.534 1.00 54.25 H new ATOM 0 HA ILE A 57 63.332 -22.430 -7.912 1.00 24.31 H new ATOM 0 HB ILE A 57 63.667 -20.536 -10.271 1.00 73.12 H new ATOM 0 HG12 ILE A 57 62.116 -20.216 -7.675 1.00 25.30 H new ATOM 0 HG13 ILE A 57 63.634 -19.421 -8.046 1.00 25.30 H new ATOM 0 HG21 ILE A 57 61.236 -20.797 -10.546 1.00 13.22 H new ATOM 0 HG22 ILE A 57 62.094 -22.342 -10.755 1.00 13.22 H new ATOM 0 HG23 ILE A 57 61.221 -22.007 -9.241 1.00 13.22 H new ATOM 0 HD11 ILE A 57 61.744 -17.914 -8.409 1.00 14.05 H new ATOM 0 HD12 ILE A 57 62.575 -18.256 -9.945 1.00 14.05 H new ATOM 0 HD13 ILE A 57 61.034 -19.062 -9.569 1.00 14.05 H new ATOM 861 N PRO A 58 63.822 -24.348 -9.485 1.00 63.44 N ATOM 862 CA PRO A 58 64.140 -25.494 -10.348 1.00 3.44 C ATOM 863 C PRO A 58 63.784 -25.228 -11.809 1.00 51.00 C ATOM 864 O PRO A 58 62.795 -24.560 -12.104 1.00 45.01 O ATOM 865 CB PRO A 58 63.273 -26.631 -9.789 1.00 24.00 C ATOM 866 CG PRO A 58 62.265 -25.971 -8.908 1.00 73.11 C ATOM 867 CD PRO A 58 62.923 -24.728 -8.385 1.00 50.42 C ATOM 0 HA PRO A 58 65.207 -25.718 -10.342 1.00 3.44 H new ATOM 0 HB2 PRO A 58 62.788 -27.186 -10.592 1.00 24.00 H new ATOM 0 HB3 PRO A 58 63.876 -27.345 -9.228 1.00 24.00 H new ATOM 0 HG2 PRO A 58 61.360 -25.729 -9.465 1.00 73.11 H new ATOM 0 HG3 PRO A 58 61.970 -26.630 -8.091 1.00 73.11 H new ATOM 0 HD2 PRO A 58 62.196 -23.946 -8.169 1.00 50.42 H new ATOM 0 HD3 PRO A 58 63.471 -24.918 -7.462 1.00 50.42 H new ATOM 875 N ASP A 59 64.590 -25.754 -12.724 1.00 25.01 N ATOM 876 CA ASP A 59 64.349 -25.567 -14.154 1.00 41.44 C ATOM 877 C ASP A 59 63.143 -26.382 -14.613 1.00 34.41 C ATOM 878 O ASP A 59 62.676 -26.241 -15.742 1.00 72.22 O ATOM 879 CB ASP A 59 65.599 -25.915 -14.975 1.00 1.55 C ATOM 880 CG ASP A 59 66.123 -27.309 -14.703 1.00 42.44 C ATOM 881 OD1 ASP A 59 66.764 -27.509 -13.649 1.00 11.32 O ATOM 882 OD2 ASP A 59 65.918 -28.206 -15.541 1.00 4.21 O ATOM 0 H ASP A 59 65.415 -26.312 -12.504 1.00 25.01 H new ATOM 0 HA ASP A 59 64.125 -24.514 -14.323 1.00 41.44 H new ATOM 0 HB2 ASP A 59 65.366 -25.822 -16.036 1.00 1.55 H new ATOM 0 HB3 ASP A 59 66.383 -25.190 -14.756 1.00 1.55 H new ATOM 887 N ASP A 60 62.633 -27.224 -13.716 1.00 32.43 N ATOM 888 CA ASP A 60 61.392 -27.962 -13.951 1.00 54.13 C ATOM 889 C ASP A 60 60.181 -27.058 -13.747 1.00 24.24 C ATOM 890 O ASP A 60 59.055 -27.424 -14.083 1.00 12.35 O ATOM 891 CB ASP A 60 61.284 -29.162 -13.001 1.00 23.23 C ATOM 892 CG ASP A 60 62.153 -30.329 -13.410 1.00 23.22 C ATOM 893 OD1 ASP A 60 63.339 -30.363 -13.022 1.00 70.35 O ATOM 894 OD2 ASP A 60 61.643 -31.233 -14.106 1.00 42.45 O ATOM 0 H ASP A 60 63.064 -27.414 -12.811 1.00 32.43 H new ATOM 0 HA ASP A 60 61.410 -28.317 -14.981 1.00 54.13 H new ATOM 0 HB2 ASP A 60 61.562 -28.846 -11.995 1.00 23.23 H new ATOM 0 HB3 ASP A 60 60.245 -29.489 -12.957 1.00 23.23 H new ATOM 899 N TRP A 61 60.423 -25.878 -13.190 1.00 5.24 N ATOM 900 CA TRP A 61 59.352 -24.948 -12.865 1.00 42.43 C ATOM 901 C TRP A 61 58.821 -24.273 -14.123 1.00 33.21 C ATOM 902 O TRP A 61 59.535 -23.513 -14.782 1.00 22.24 O ATOM 903 CB TRP A 61 59.850 -23.900 -11.866 1.00 54.42 C ATOM 904 CG TRP A 61 58.768 -23.023 -11.306 1.00 53.20 C ATOM 905 CD1 TRP A 61 57.901 -23.342 -10.305 1.00 30.52 C ATOM 906 CD2 TRP A 61 58.446 -21.683 -11.704 1.00 34.02 C ATOM 907 NE1 TRP A 61 57.063 -22.284 -10.048 1.00 41.04 N ATOM 908 CE2 TRP A 61 57.376 -21.251 -10.896 1.00 14.21 C ATOM 909 CE3 TRP A 61 58.960 -20.806 -12.663 1.00 1.13 C ATOM 910 CZ2 TRP A 61 56.812 -19.981 -11.021 1.00 62.32 C ATOM 911 CZ3 TRP A 61 58.399 -19.549 -12.786 1.00 12.43 C ATOM 912 CH2 TRP A 61 57.337 -19.145 -11.969 1.00 25.01 C ATOM 0 H TRP A 61 61.357 -25.542 -12.953 1.00 5.24 H new ATOM 0 HA TRP A 61 58.535 -25.508 -12.410 1.00 42.43 H new ATOM 0 HB2 TRP A 61 60.353 -24.408 -11.043 1.00 54.42 H new ATOM 0 HB3 TRP A 61 60.595 -23.272 -12.356 1.00 54.42 H new ATOM 0 HD1 TRP A 61 57.876 -24.290 -9.788 1.00 30.52 H new ATOM 0 HE1 TRP A 61 56.327 -22.269 -9.342 1.00 41.04 H new ATOM 0 HE3 TRP A 61 59.781 -21.105 -13.297 1.00 1.13 H new ATOM 0 HZ2 TRP A 61 55.991 -19.669 -10.393 1.00 62.32 H new ATOM 0 HZ3 TRP A 61 58.787 -18.866 -13.527 1.00 12.43 H new ATOM 0 HH2 TRP A 61 56.924 -18.154 -12.089 1.00 25.01 H new ATOM 923 N SER A 62 57.581 -24.580 -14.463 1.00 54.20 N ATOM 924 CA SER A 62 56.916 -23.946 -15.578 1.00 3.30 C ATOM 925 C SER A 62 56.059 -22.783 -15.092 1.00 13.23 C ATOM 926 O SER A 62 55.712 -22.707 -13.911 1.00 63.43 O ATOM 927 CB SER A 62 56.057 -24.970 -16.327 1.00 63.43 C ATOM 928 OG SER A 62 55.329 -25.792 -15.424 1.00 64.32 O ATOM 0 H SER A 62 57.013 -25.272 -13.974 1.00 54.20 H new ATOM 0 HA SER A 62 57.669 -23.555 -16.262 1.00 3.30 H new ATOM 0 HB2 SER A 62 55.364 -24.451 -16.990 1.00 63.43 H new ATOM 0 HB3 SER A 62 56.694 -25.592 -16.956 1.00 63.43 H new ATOM 0 HG SER A 62 54.789 -26.435 -15.930 1.00 64.32 H new ATOM 934 N CYS A 63 55.747 -21.872 -16.000 1.00 24.15 N ATOM 935 CA CYS A 63 54.856 -20.760 -15.712 1.00 63.43 C ATOM 936 C CYS A 63 53.502 -21.286 -15.243 1.00 24.51 C ATOM 937 O CYS A 63 52.815 -21.971 -15.989 1.00 44.14 O ATOM 938 CB CYS A 63 54.681 -19.904 -16.971 1.00 63.12 C ATOM 939 SG CYS A 63 53.508 -18.541 -16.798 1.00 13.20 S ATOM 0 H CYS A 63 56.104 -21.883 -16.956 1.00 24.15 H new ATOM 0 HA CYS A 63 55.288 -20.148 -14.920 1.00 63.43 H new ATOM 0 HB2 CYS A 63 55.651 -19.497 -17.255 1.00 63.12 H new ATOM 0 HB3 CYS A 63 54.353 -20.546 -17.788 1.00 63.12 H new ATOM 0 HG CYS A 63 54.011 -17.632 -16.017 1.00 13.20 H new ATOM 944 N PRO A 64 53.108 -20.978 -13.997 1.00 12.23 N ATOM 945 CA PRO A 64 51.836 -21.447 -13.420 1.00 52.51 C ATOM 946 C PRO A 64 50.624 -21.081 -14.280 1.00 52.22 C ATOM 947 O PRO A 64 49.571 -21.710 -14.187 1.00 21.33 O ATOM 948 CB PRO A 64 51.766 -20.728 -12.070 1.00 2.43 C ATOM 949 CG PRO A 64 53.179 -20.397 -11.735 1.00 63.34 C ATOM 950 CD PRO A 64 53.879 -20.164 -13.042 1.00 75.23 C ATOM 0 HA PRO A 64 51.809 -22.534 -13.344 1.00 52.51 H new ATOM 0 HB2 PRO A 64 51.154 -19.828 -12.134 1.00 2.43 H new ATOM 0 HB3 PRO A 64 51.318 -21.364 -11.307 1.00 2.43 H new ATOM 0 HG2 PRO A 64 53.231 -19.511 -11.103 1.00 63.34 H new ATOM 0 HG3 PRO A 64 53.648 -21.211 -11.182 1.00 63.34 H new ATOM 0 HD2 PRO A 64 53.873 -19.109 -13.318 1.00 75.23 H new ATOM 0 HD3 PRO A 64 54.922 -20.477 -12.999 1.00 75.23 H new ATOM 958 N ASP A 65 50.796 -20.069 -15.120 1.00 62.43 N ATOM 959 CA ASP A 65 49.729 -19.599 -16.001 1.00 4.14 C ATOM 960 C ASP A 65 49.474 -20.582 -17.148 1.00 73.14 C ATOM 961 O ASP A 65 48.415 -21.207 -17.215 1.00 75.43 O ATOM 962 CB ASP A 65 50.086 -18.213 -16.556 1.00 75.11 C ATOM 963 CG ASP A 65 49.100 -17.708 -17.591 1.00 74.01 C ATOM 964 OD1 ASP A 65 48.077 -17.112 -17.200 1.00 12.44 O ATOM 965 OD2 ASP A 65 49.363 -17.893 -18.797 1.00 62.34 O ATOM 0 H ASP A 65 51.671 -19.553 -15.212 1.00 62.43 H new ATOM 0 HA ASP A 65 48.812 -19.529 -15.416 1.00 4.14 H new ATOM 0 HB2 ASP A 65 50.134 -17.501 -15.732 1.00 75.11 H new ATOM 0 HB3 ASP A 65 51.080 -18.253 -17.001 1.00 75.11 H new ATOM 970 N CYS A 66 50.454 -20.740 -18.030 1.00 24.23 N ATOM 971 CA CYS A 66 50.262 -21.523 -19.250 1.00 44.35 C ATOM 972 C CYS A 66 51.147 -22.767 -19.302 1.00 61.50 C ATOM 973 O CYS A 66 51.076 -23.545 -20.255 1.00 33.10 O ATOM 974 CB CYS A 66 50.538 -20.640 -20.462 1.00 11.53 C ATOM 975 SG CYS A 66 52.066 -19.677 -20.335 1.00 2.42 S ATOM 0 H CYS A 66 51.386 -20.339 -17.926 1.00 24.23 H new ATOM 0 HA CYS A 66 49.229 -21.871 -19.256 1.00 44.35 H new ATOM 0 HB2 CYS A 66 50.588 -21.267 -21.352 1.00 11.53 H new ATOM 0 HB3 CYS A 66 49.700 -19.957 -20.600 1.00 11.53 H new ATOM 0 HG CYS A 66 51.782 -18.457 -19.988 1.00 2.42 H new ATOM 980 N GLY A 67 51.971 -22.960 -18.282 1.00 11.35 N ATOM 981 CA GLY A 67 52.868 -24.104 -18.250 1.00 2.21 C ATOM 982 C GLY A 67 54.060 -23.941 -19.172 1.00 45.15 C ATOM 983 O GLY A 67 54.674 -24.925 -19.584 1.00 12.15 O ATOM 0 H GLY A 67 52.036 -22.344 -17.472 1.00 11.35 H new ATOM 0 HA2 GLY A 67 53.221 -24.255 -17.230 1.00 2.21 H new ATOM 0 HA3 GLY A 67 52.316 -25.001 -18.532 1.00 2.21 H new ATOM 987 N ALA A 68 54.383 -22.698 -19.497 1.00 3.21 N ATOM 988 CA ALA A 68 55.539 -22.403 -20.331 1.00 51.33 C ATOM 989 C ALA A 68 56.827 -22.617 -19.543 1.00 24.02 C ATOM 990 O ALA A 68 56.846 -22.449 -18.325 1.00 24.41 O ATOM 991 CB ALA A 68 55.461 -20.976 -20.852 1.00 22.41 C ATOM 0 H ALA A 68 53.860 -21.876 -19.195 1.00 3.21 H new ATOM 0 HA ALA A 68 55.540 -23.082 -21.184 1.00 51.33 H new ATOM 0 HB1 ALA A 68 56.331 -20.768 -21.474 1.00 22.41 H new ATOM 0 HB2 ALA A 68 54.554 -20.854 -21.444 1.00 22.41 H new ATOM 0 HB3 ALA A 68 55.442 -20.282 -20.011 1.00 22.41 H new ATOM 997 N ALA A 69 57.898 -22.975 -20.230 1.00 63.43 N ATOM 998 CA ALA A 69 59.151 -23.297 -19.562 1.00 14.25 C ATOM 999 C ALA A 69 59.973 -22.040 -19.313 1.00 45.14 C ATOM 1000 O ALA A 69 59.583 -20.947 -19.717 1.00 64.45 O ATOM 1001 CB ALA A 69 59.948 -24.296 -20.386 1.00 43.25 C ATOM 0 H ALA A 69 57.927 -23.050 -21.247 1.00 63.43 H new ATOM 0 HA ALA A 69 58.916 -23.746 -18.597 1.00 14.25 H new ATOM 0 HB1 ALA A 69 60.882 -24.527 -19.874 1.00 43.25 H new ATOM 0 HB2 ALA A 69 59.367 -25.210 -20.511 1.00 43.25 H new ATOM 0 HB3 ALA A 69 60.167 -23.868 -21.364 1.00 43.25 H new ATOM 1007 N LYS A 70 61.116 -22.200 -18.649 1.00 44.04 N ATOM 1008 CA LYS A 70 62.010 -21.075 -18.387 1.00 2.40 C ATOM 1009 C LYS A 70 62.442 -20.411 -19.689 1.00 33.52 C ATOM 1010 O LYS A 70 62.644 -19.198 -19.743 1.00 53.10 O ATOM 1011 CB LYS A 70 63.250 -21.518 -17.603 1.00 2.20 C ATOM 1012 CG LYS A 70 62.991 -21.830 -16.135 1.00 4.42 C ATOM 1013 CD LYS A 70 64.292 -21.831 -15.348 1.00 65.43 C ATOM 1014 CE LYS A 70 64.049 -21.942 -13.853 1.00 20.30 C ATOM 1015 NZ LYS A 70 65.289 -21.688 -13.067 1.00 61.24 N ATOM 0 H LYS A 70 61.444 -23.094 -18.284 1.00 44.04 H new ATOM 0 HA LYS A 70 61.456 -20.355 -17.785 1.00 2.40 H new ATOM 0 HB2 LYS A 70 63.669 -22.403 -18.081 1.00 2.20 H new ATOM 0 HB3 LYS A 70 64.004 -20.734 -17.667 1.00 2.20 H new ATOM 0 HG2 LYS A 70 62.307 -21.091 -15.716 1.00 4.42 H new ATOM 0 HG3 LYS A 70 62.505 -22.801 -16.045 1.00 4.42 H new ATOM 0 HD2 LYS A 70 64.915 -22.663 -15.677 1.00 65.43 H new ATOM 0 HD3 LYS A 70 64.845 -20.916 -15.559 1.00 65.43 H new ATOM 0 HE2 LYS A 70 63.279 -21.229 -13.557 1.00 20.30 H new ATOM 0 HE3 LYS A 70 63.669 -22.937 -13.620 1.00 20.30 H new ATOM 0 HZ1 LYS A 70 65.371 -22.396 -12.310 1.00 61.24 H new ATOM 0 HZ2 LYS A 70 66.117 -21.753 -13.694 1.00 61.24 H new ATOM 0 HZ3 LYS A 70 65.246 -20.737 -12.648 1.00 61.24 H new ATOM 1029 N SER A 71 62.563 -21.210 -20.741 1.00 24.44 N ATOM 1030 CA SER A 71 62.970 -20.713 -22.049 1.00 74.02 C ATOM 1031 C SER A 71 61.929 -19.750 -22.622 1.00 74.23 C ATOM 1032 O SER A 71 62.221 -18.969 -23.528 1.00 30.43 O ATOM 1033 CB SER A 71 63.177 -21.888 -22.997 1.00 35.23 C ATOM 1034 OG SER A 71 64.047 -22.851 -22.423 1.00 35.24 O ATOM 0 H SER A 71 62.383 -22.214 -20.713 1.00 24.44 H new ATOM 0 HA SER A 71 63.906 -20.165 -21.936 1.00 74.02 H new ATOM 0 HB2 SER A 71 62.217 -22.350 -23.226 1.00 35.23 H new ATOM 0 HB3 SER A 71 63.593 -21.532 -23.940 1.00 35.23 H new ATOM 0 HG SER A 71 64.165 -23.598 -23.047 1.00 35.24 H new ATOM 1040 N ASP A 72 60.719 -19.798 -22.076 1.00 22.41 N ATOM 1041 CA ASP A 72 59.636 -18.935 -22.531 1.00 53.55 C ATOM 1042 C ASP A 72 59.573 -17.670 -21.689 1.00 72.53 C ATOM 1043 O ASP A 72 58.614 -16.902 -21.768 1.00 51.33 O ATOM 1044 CB ASP A 72 58.297 -19.670 -22.467 1.00 31.01 C ATOM 1045 CG ASP A 72 58.264 -20.891 -23.361 1.00 15.41 C ATOM 1046 OD1 ASP A 72 58.012 -20.732 -24.574 1.00 14.24 O ATOM 1047 OD2 ASP A 72 58.500 -22.012 -22.858 1.00 20.11 O ATOM 0 H ASP A 72 60.463 -20.428 -21.315 1.00 22.41 H new ATOM 0 HA ASP A 72 59.835 -18.660 -23.567 1.00 53.55 H new ATOM 0 HB2 ASP A 72 58.100 -19.971 -21.438 1.00 31.01 H new ATOM 0 HB3 ASP A 72 57.498 -18.989 -22.758 1.00 31.01 H new ATOM 1052 N PHE A 73 60.594 -17.468 -20.873 1.00 54.42 N ATOM 1053 CA PHE A 73 60.722 -16.252 -20.086 1.00 32.03 C ATOM 1054 C PHE A 73 61.875 -15.409 -20.607 1.00 41.43 C ATOM 1055 O PHE A 73 62.859 -15.940 -21.129 1.00 33.41 O ATOM 1056 CB PHE A 73 60.963 -16.581 -18.607 1.00 12.00 C ATOM 1057 CG PHE A 73 59.733 -17.016 -17.864 1.00 5.31 C ATOM 1058 CD1 PHE A 73 59.253 -18.309 -17.977 1.00 13.51 C ATOM 1059 CD2 PHE A 73 59.060 -16.125 -17.043 1.00 71.52 C ATOM 1060 CE1 PHE A 73 58.124 -18.706 -17.286 1.00 43.50 C ATOM 1061 CE2 PHE A 73 57.933 -16.516 -16.351 1.00 75.12 C ATOM 1062 CZ PHE A 73 57.464 -17.807 -16.471 1.00 32.20 C ATOM 0 H PHE A 73 61.352 -18.136 -20.738 1.00 54.42 H new ATOM 0 HA PHE A 73 59.790 -15.693 -20.176 1.00 32.03 H new ATOM 0 HB2 PHE A 73 61.712 -17.370 -18.539 1.00 12.00 H new ATOM 0 HB3 PHE A 73 61.380 -15.702 -18.114 1.00 12.00 H new ATOM 0 HD1 PHE A 73 59.766 -19.016 -18.612 1.00 13.51 H new ATOM 0 HD2 PHE A 73 59.422 -15.112 -16.944 1.00 71.52 H new ATOM 0 HE1 PHE A 73 57.758 -19.718 -17.383 1.00 43.50 H new ATOM 0 HE2 PHE A 73 57.418 -15.811 -15.715 1.00 75.12 H new ATOM 0 HZ PHE A 73 56.582 -18.115 -15.929 1.00 32.20 H new ATOM 1072 N GLU A 74 61.751 -14.101 -20.472 1.00 11.30 N ATOM 1073 CA GLU A 74 62.835 -13.200 -20.810 1.00 71.52 C ATOM 1074 C GLU A 74 63.357 -12.541 -19.543 1.00 63.42 C ATOM 1075 O GLU A 74 62.586 -12.242 -18.624 1.00 24.10 O ATOM 1076 CB GLU A 74 62.384 -12.128 -21.811 1.00 55.11 C ATOM 1077 CG GLU A 74 61.293 -11.210 -21.285 1.00 15.31 C ATOM 1078 CD GLU A 74 61.148 -9.952 -22.114 1.00 10.03 C ATOM 1079 OE1 GLU A 74 60.371 -9.960 -23.091 1.00 22.12 O ATOM 1080 OE2 GLU A 74 61.816 -8.945 -21.791 1.00 33.13 O ATOM 0 H GLU A 74 60.908 -13.639 -20.130 1.00 11.30 H new ATOM 0 HA GLU A 74 63.629 -13.780 -21.281 1.00 71.52 H new ATOM 0 HB2 GLU A 74 63.246 -11.525 -22.095 1.00 55.11 H new ATOM 0 HB3 GLU A 74 62.026 -12.619 -22.716 1.00 55.11 H new ATOM 0 HG2 GLU A 74 60.344 -11.746 -21.275 1.00 15.31 H new ATOM 0 HG3 GLU A 74 61.517 -10.938 -20.253 1.00 15.31 H new ATOM 1087 N MET A 75 64.659 -12.334 -19.488 1.00 1.12 N ATOM 1088 CA MET A 75 65.282 -11.753 -18.316 1.00 0.12 C ATOM 1089 C MET A 75 65.214 -10.238 -18.381 1.00 41.40 C ATOM 1090 O MET A 75 65.854 -9.612 -19.226 1.00 64.03 O ATOM 1091 CB MET A 75 66.738 -12.205 -18.190 1.00 65.23 C ATOM 1092 CG MET A 75 67.424 -11.687 -16.933 1.00 22.24 C ATOM 1093 SD MET A 75 69.156 -12.176 -16.821 1.00 62.41 S ATOM 1094 CE MET A 75 69.019 -13.964 -16.853 1.00 41.21 C ATOM 0 H MET A 75 65.306 -12.560 -20.243 1.00 1.12 H new ATOM 0 HA MET A 75 64.737 -12.098 -17.437 1.00 0.12 H new ATOM 0 HB2 MET A 75 66.774 -13.294 -18.192 1.00 65.23 H new ATOM 0 HB3 MET A 75 67.293 -11.866 -19.064 1.00 65.23 H new ATOM 0 HG2 MET A 75 67.358 -10.599 -16.912 1.00 22.24 H new ATOM 0 HG3 MET A 75 66.891 -12.056 -16.057 1.00 22.24 H new ATOM 0 HE1 MET A 75 70.000 -14.407 -16.684 1.00 41.21 H new ATOM 0 HE2 MET A 75 68.334 -14.290 -16.071 1.00 41.21 H new ATOM 0 HE3 MET A 75 68.640 -14.283 -17.824 1.00 41.21 H new ATOM 1104 N VAL A 76 64.414 -9.656 -17.509 1.00 52.24 N ATOM 1105 CA VAL A 76 64.328 -8.216 -17.401 1.00 50.44 C ATOM 1106 C VAL A 76 65.123 -7.758 -16.188 1.00 33.40 C ATOM 1107 O VAL A 76 64.878 -8.204 -15.058 1.00 12.34 O ATOM 1108 CB VAL A 76 62.868 -7.727 -17.276 1.00 64.25 C ATOM 1109 CG1 VAL A 76 62.800 -6.209 -17.356 1.00 52.34 C ATOM 1110 CG2 VAL A 76 61.989 -8.359 -18.346 1.00 70.33 C ATOM 0 H VAL A 76 63.811 -10.164 -16.862 1.00 52.24 H new ATOM 0 HA VAL A 76 64.740 -7.787 -18.314 1.00 50.44 H new ATOM 0 HB VAL A 76 62.492 -8.037 -16.301 1.00 64.25 H new ATOM 0 HG11 VAL A 76 61.763 -5.886 -17.266 1.00 52.34 H new ATOM 0 HG12 VAL A 76 63.387 -5.775 -16.546 1.00 52.34 H new ATOM 0 HG13 VAL A 76 63.202 -5.877 -18.313 1.00 52.34 H new ATOM 0 HG21 VAL A 76 60.966 -7.999 -18.236 1.00 70.33 H new ATOM 0 HG22 VAL A 76 62.365 -8.088 -19.333 1.00 70.33 H new ATOM 0 HG23 VAL A 76 62.005 -9.443 -18.236 1.00 70.33 H new