USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 309 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 61 CYS SG : rot -152:sc= -1.46! USER MOD Set 1.2: A 64 CYS SG : rot -151:sc= 0.861 USER MOD Set 1.3: A 69 HIS :FLIP no HE2:sc= 0.991 F(o=-9.4!,f=-1.5) USER MOD Set 1.4: A 73 CYS SG : rot 113:sc= -1.86 USER MOD Set 2.1: A 28 CYS SG : rot -124:sc= -4.97! USER MOD Set 2.2: A 33 CYS SG : rot -10:sc= -0.047 USER MOD Set 2.3: A 48 CYS SG : rot 28:sc= 0.65 USER MOD Set 2.4: A 56 CYS SG : rot -102:sc= -3.26! USER MOD Single : A 23 MET CE :methyl 164:sc= -0.516 (180deg=-0.69) USER MOD Single : A 43 GLN : amide:sc= -0.823 X(o=-0.82,f=-0.58) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 9:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -30.351 49.323 -26.669 1.00 1.52 N ATOM 342 CA MET A 23 -31.290 49.976 -27.574 1.00 21.43 C ATOM 343 C MET A 23 -30.552 50.685 -28.705 1.00 21.02 C ATOM 344 O MET A 23 -30.647 50.290 -29.866 1.00 35.32 O ATOM 345 CB MET A 23 -32.156 50.977 -26.808 1.00 72.34 C ATOM 346 CG MET A 23 -32.794 52.033 -27.697 1.00 53.14 C ATOM 347 SD MET A 23 -33.773 51.318 -29.033 1.00 2.31 S ATOM 348 CE MET A 23 -33.410 52.460 -30.365 1.00 21.22 C ATOM 0 HA MET A 23 -31.931 49.209 -28.008 1.00 21.43 H new ATOM 0 HB2 MET A 23 -32.941 50.436 -26.279 1.00 72.34 H new ATOM 0 HB3 MET A 23 -31.545 51.471 -26.053 1.00 72.34 H new ATOM 0 HG2 MET A 23 -33.430 52.677 -27.090 1.00 53.14 H new ATOM 0 HG3 MET A 23 -32.014 52.665 -28.122 1.00 53.14 H new ATOM 0 HE1 MET A 23 -33.699 52.013 -31.316 1.00 21.22 H new ATOM 0 HE2 MET A 23 -33.967 53.384 -30.214 1.00 21.22 H new ATOM 0 HE3 MET A 23 -32.342 52.678 -30.376 1.00 21.22 H new ATOM 358 N GLY A 24 -29.814 51.736 -28.357 1.00 42.25 N ATOM 359 CA GLY A 24 -29.072 52.484 -29.355 1.00 62.04 C ATOM 360 C GLY A 24 -29.772 53.766 -29.759 1.00 73.13 C ATOM 361 O GLY A 24 -30.534 54.338 -28.980 1.00 1.42 O ATOM 0 H GLY A 24 -29.717 52.082 -27.402 1.00 42.25 H new ATOM 0 HA2 GLY A 24 -28.082 52.722 -28.965 1.00 62.04 H new ATOM 0 HA3 GLY A 24 -28.925 51.860 -30.237 1.00 62.04 H new ATOM 365 N GLY A 25 -29.513 54.221 -30.982 1.00 61.12 N ATOM 366 CA GLY A 25 -30.130 55.441 -31.466 1.00 74.21 C ATOM 367 C GLY A 25 -31.523 55.648 -30.903 1.00 43.50 C ATOM 368 O GLY A 25 -32.481 55.019 -31.350 1.00 64.10 O ATOM 0 H GLY A 25 -28.886 53.765 -31.646 1.00 61.12 H new ATOM 0 HA2 GLY A 25 -29.503 56.292 -31.200 1.00 74.21 H new ATOM 0 HA3 GLY A 25 -30.182 55.412 -32.554 1.00 74.21 H new ATOM 372 N VAL A 26 -31.634 56.535 -29.919 1.00 13.31 N ATOM 373 CA VAL A 26 -32.920 56.824 -29.293 1.00 51.04 C ATOM 374 C VAL A 26 -33.064 58.313 -28.996 1.00 5.22 C ATOM 375 O VAL A 26 -32.092 58.983 -28.644 1.00 20.13 O ATOM 376 CB VAL A 26 -33.098 56.031 -27.986 1.00 33.13 C ATOM 377 CG1 VAL A 26 -32.030 56.420 -26.974 1.00 32.40 C ATOM 378 CG2 VAL A 26 -34.492 56.252 -27.415 1.00 3.14 C ATOM 0 H VAL A 26 -30.850 57.065 -29.538 1.00 13.31 H new ATOM 0 HA VAL A 26 -33.692 56.521 -30.000 1.00 51.04 H new ATOM 0 HB VAL A 26 -32.984 54.970 -28.207 1.00 33.13 H new ATOM 0 HG11 VAL A 26 -32.173 55.849 -26.057 1.00 32.40 H new ATOM 0 HG12 VAL A 26 -31.044 56.206 -27.385 1.00 32.40 H new ATOM 0 HG13 VAL A 26 -32.108 57.485 -26.754 1.00 32.40 H new ATOM 0 HG21 VAL A 26 -34.601 55.684 -26.491 1.00 3.14 H new ATOM 0 HG22 VAL A 26 -34.637 57.312 -27.208 1.00 3.14 H new ATOM 0 HG23 VAL A 26 -35.238 55.918 -28.136 1.00 3.14 H new ATOM 388 N LEU A 27 -34.280 58.823 -29.139 1.00 14.33 N ATOM 389 CA LEU A 27 -34.554 60.235 -28.885 1.00 44.32 C ATOM 390 C LEU A 27 -35.844 60.405 -28.090 1.00 1.23 C ATOM 391 O LEU A 27 -36.719 59.545 -28.170 1.00 44.11 O ATOM 392 CB LEU A 27 -34.650 61.002 -30.205 1.00 3.12 C ATOM 393 CG LEU A 27 -35.692 60.495 -31.202 1.00 12.25 C ATOM 394 CD1 LEU A 27 -37.039 61.153 -30.945 1.00 74.43 C ATOM 395 CD2 LEU A 27 -35.234 60.752 -32.630 1.00 73.02 C ATOM 0 H LEU A 27 -35.094 58.281 -29.430 1.00 14.33 H new ATOM 0 HA LEU A 27 -33.730 60.639 -28.296 1.00 44.32 H new ATOM 0 HB2 LEU A 27 -34.869 62.046 -29.980 1.00 3.12 H new ATOM 0 HB3 LEU A 27 -33.673 60.978 -30.688 1.00 3.12 H new ATOM 0 HG LEU A 27 -35.804 59.419 -31.067 1.00 12.25 H new ATOM 0 HD11 LEU A 27 -37.769 60.781 -31.664 1.00 74.43 H new ATOM 0 HD12 LEU A 27 -37.372 60.917 -29.934 1.00 74.43 H new ATOM 0 HD13 LEU A 27 -36.943 62.233 -31.053 1.00 74.43 H new ATOM 0 HD21 LEU A 27 -35.988 60.384 -33.326 1.00 73.02 H new ATOM 0 HD22 LEU A 27 -35.093 61.822 -32.780 1.00 73.02 H new ATOM 0 HD23 LEU A 27 -34.292 60.233 -32.809 1.00 73.02 H new ATOM 407 N CYS A 28 -35.933 61.500 -27.349 1.00 21.00 N ATOM 408 CA CYS A 28 -37.118 61.769 -26.551 1.00 71.23 C ATOM 409 C CYS A 28 -38.294 62.005 -27.501 1.00 1.11 C ATOM 410 O CYS A 28 -38.340 62.956 -28.281 1.00 42.35 O ATOM 411 CB CYS A 28 -36.904 62.951 -25.603 1.00 33.34 C ATOM 412 SG CYS A 28 -35.187 62.945 -24.973 1.00 64.11 S ATOM 0 H CYS A 28 -35.204 62.211 -27.284 1.00 21.00 H new ATOM 0 HA CYS A 28 -37.334 60.911 -25.914 1.00 71.23 H new ATOM 0 HB2 CYS A 28 -37.106 63.887 -26.124 1.00 33.34 H new ATOM 0 HB3 CYS A 28 -37.606 62.892 -24.771 1.00 33.34 H new ATOM 0 HG CYS A 28 -35.202 62.929 -23.673 1.00 64.11 H new ATOM 417 N PRO A 29 -39.277 61.096 -27.423 1.00 71.22 N ATOM 418 CA PRO A 29 -40.481 61.160 -28.256 1.00 73.43 C ATOM 419 C PRO A 29 -41.392 62.321 -27.871 1.00 4.23 C ATOM 420 O PRO A 29 -41.935 63.010 -28.734 1.00 22.52 O ATOM 421 CB PRO A 29 -41.175 59.823 -27.979 1.00 42.01 C ATOM 422 CG PRO A 29 -40.696 59.421 -26.627 1.00 14.13 C ATOM 423 CD PRO A 29 -39.287 59.937 -26.516 1.00 33.22 C ATOM 0 HA PRO A 29 -40.241 61.323 -29.307 1.00 73.43 H new ATOM 0 HB2 PRO A 29 -42.260 59.928 -28.000 1.00 42.01 H new ATOM 0 HB3 PRO A 29 -40.913 59.078 -28.730 1.00 42.01 H new ATOM 0 HG2 PRO A 29 -41.329 59.844 -25.847 1.00 14.13 H new ATOM 0 HG3 PRO A 29 -40.725 58.338 -26.509 1.00 14.13 H new ATOM 0 HD2 PRO A 29 -39.044 60.225 -25.493 1.00 33.22 H new ATOM 0 HD3 PRO A 29 -38.558 59.184 -26.817 1.00 33.22 H new ATOM 431 N ARG A 30 -41.554 62.533 -26.568 1.00 12.31 N ATOM 432 CA ARG A 30 -42.399 63.611 -26.069 1.00 72.21 C ATOM 433 C ARG A 30 -42.015 64.943 -26.708 1.00 11.14 C ATOM 434 O ARG A 30 -40.893 65.134 -27.177 1.00 64.54 O ATOM 435 CB ARG A 30 -42.287 63.712 -24.547 1.00 63.13 C ATOM 436 CG ARG A 30 -42.823 62.494 -23.814 1.00 74.31 C ATOM 437 CD ARG A 30 -44.344 62.448 -23.848 1.00 31.21 C ATOM 438 NE ARG A 30 -44.940 63.321 -22.841 1.00 13.12 N ATOM 439 CZ ARG A 30 -46.145 63.122 -22.317 1.00 31.00 C ATOM 440 NH1 ARG A 30 -46.876 62.086 -22.702 1.00 11.54 N ATOM 441 NH2 ARG A 30 -46.619 63.961 -21.403 1.00 53.53 N ATOM 0 H ARG A 30 -41.111 61.972 -25.840 1.00 12.31 H new ATOM 0 HA ARG A 30 -43.431 63.384 -26.336 1.00 72.21 H new ATOM 0 HB2 ARG A 30 -41.241 63.856 -24.277 1.00 63.13 H new ATOM 0 HB3 ARG A 30 -42.828 64.596 -24.209 1.00 63.13 H new ATOM 0 HG2 ARG A 30 -42.420 61.588 -24.268 1.00 74.31 H new ATOM 0 HG3 ARG A 30 -42.481 62.511 -22.779 1.00 74.31 H new ATOM 0 HD2 ARG A 30 -44.694 62.744 -24.837 1.00 31.21 H new ATOM 0 HD3 ARG A 30 -44.680 61.424 -23.684 1.00 31.21 H new ATOM 0 HE ARG A 30 -44.403 64.127 -22.522 1.00 13.12 H new ATOM 0 HH11 ARG A 30 -46.514 61.439 -23.402 1.00 11.54 H new ATOM 0 HH12 ARG A 30 -47.800 61.936 -22.298 1.00 11.54 H new ATOM 0 HH21 ARG A 30 -46.058 64.758 -21.103 1.00 53.53 H new ATOM 0 HH22 ARG A 30 -47.544 63.808 -21.001 1.00 53.53 H new ATOM 455 N PRO A 31 -42.968 65.886 -26.727 1.00 12.35 N ATOM 456 CA PRO A 31 -42.752 67.217 -27.305 1.00 54.11 C ATOM 457 C PRO A 31 -41.794 68.063 -26.473 1.00 52.24 C ATOM 458 O PRO A 31 -40.898 68.711 -27.010 1.00 42.10 O ATOM 459 CB PRO A 31 -44.153 67.836 -27.301 1.00 34.21 C ATOM 460 CG PRO A 31 -44.877 67.129 -26.207 1.00 42.35 C ATOM 461 CD PRO A 31 -44.328 65.728 -26.184 1.00 53.51 C ATOM 0 HA PRO A 31 -42.297 67.163 -28.294 1.00 54.11 H new ATOM 0 HB2 PRO A 31 -44.111 68.910 -27.118 1.00 34.21 H new ATOM 0 HB3 PRO A 31 -44.651 67.695 -28.260 1.00 34.21 H new ATOM 0 HG2 PRO A 31 -44.719 67.626 -25.250 1.00 42.35 H new ATOM 0 HG3 PRO A 31 -45.952 67.124 -26.390 1.00 42.35 H new ATOM 0 HD2 PRO A 31 -44.312 65.319 -25.174 1.00 53.51 H new ATOM 0 HD3 PRO A 31 -44.928 65.051 -26.793 1.00 53.51 H new ATOM 469 N GLY A 32 -41.991 68.051 -25.158 1.00 52.41 N ATOM 470 CA GLY A 32 -41.136 68.821 -24.274 1.00 31.24 C ATOM 471 C GLY A 32 -39.925 68.035 -23.808 1.00 52.23 C ATOM 472 O GLY A 32 -39.179 68.530 -22.965 1.00 73.33 O ATOM 0 H GLY A 32 -42.727 67.522 -24.690 1.00 52.41 H new ATOM 0 HA2 GLY A 32 -40.804 69.722 -24.789 1.00 31.24 H new ATOM 0 HA3 GLY A 32 -41.712 69.143 -23.407 1.00 31.24 H new ATOM 476 N CYS A 33 -39.753 66.842 -24.357 1.00 13.12 N ATOM 477 CA CYS A 33 -38.627 66.003 -23.985 1.00 14.35 C ATOM 478 C CYS A 33 -37.684 65.903 -25.184 1.00 63.54 C ATOM 479 O CYS A 33 -36.478 65.699 -25.052 1.00 31.34 O ATOM 480 CB CYS A 33 -39.084 64.625 -23.500 1.00 63.23 C ATOM 481 SG CYS A 33 -37.841 63.918 -22.360 1.00 20.54 S ATOM 0 H CYS A 33 -40.375 66.436 -25.057 1.00 13.12 H new ATOM 0 HA CYS A 33 -38.097 66.453 -23.146 1.00 14.35 H new ATOM 0 HB2 CYS A 33 -40.046 64.709 -22.995 1.00 63.23 H new ATOM 0 HB3 CYS A 33 -39.228 63.960 -24.352 1.00 63.23 H new ATOM 0 HG CYS A 33 -36.760 64.640 -22.395 1.00 20.54 H new ATOM 486 N GLY A 34 -38.267 66.053 -26.371 1.00 25.31 N ATOM 487 CA GLY A 34 -37.488 65.979 -27.594 1.00 3.41 C ATOM 488 C GLY A 34 -36.059 66.445 -27.399 1.00 23.12 C ATOM 489 O GLY A 34 -35.763 67.633 -27.524 1.00 43.41 O ATOM 0 H GLY A 34 -39.263 66.224 -26.507 1.00 25.31 H new ATOM 0 HA2 GLY A 34 -37.486 64.952 -27.958 1.00 3.41 H new ATOM 0 HA3 GLY A 34 -37.964 66.588 -28.362 1.00 3.41 H new ATOM 493 N ALA A 35 -35.170 65.506 -27.091 1.00 21.04 N ATOM 494 CA ALA A 35 -33.764 65.826 -26.878 1.00 22.21 C ATOM 495 C ALA A 35 -32.907 65.329 -28.038 1.00 1.12 C ATOM 496 O ALA A 35 -31.940 65.980 -28.432 1.00 23.43 O ATOM 497 CB ALA A 35 -33.277 65.229 -25.566 1.00 34.44 C ATOM 0 H ALA A 35 -35.399 64.518 -26.983 1.00 21.04 H new ATOM 0 HA ALA A 35 -33.668 66.911 -26.827 1.00 22.21 H new ATOM 0 HB1 ALA A 35 -32.225 65.477 -25.422 1.00 34.44 H new ATOM 0 HB2 ALA A 35 -33.862 65.636 -24.742 1.00 34.44 H new ATOM 0 HB3 ALA A 35 -33.394 64.146 -25.594 1.00 34.44 H new ATOM 503 N GLY A 36 -33.268 64.172 -28.580 1.00 61.23 N ATOM 504 CA GLY A 36 -32.521 63.606 -29.689 1.00 62.54 C ATOM 505 C GLY A 36 -31.048 63.445 -29.373 1.00 25.01 C ATOM 506 O GLY A 36 -30.199 63.555 -30.259 1.00 12.25 O ATOM 0 H GLY A 36 -34.065 63.615 -28.272 1.00 61.23 H new ATOM 0 HA2 GLY A 36 -32.942 62.635 -29.949 1.00 62.54 H new ATOM 0 HA3 GLY A 36 -32.634 64.246 -30.564 1.00 62.54 H new ATOM 510 N LEU A 37 -30.741 63.183 -28.106 1.00 1.41 N ATOM 511 CA LEU A 37 -29.359 63.008 -27.675 1.00 11.45 C ATOM 512 C LEU A 37 -29.062 61.540 -27.383 1.00 41.21 C ATOM 513 O LEU A 37 -29.557 60.979 -26.406 1.00 32.30 O ATOM 514 CB LEU A 37 -29.081 63.854 -26.431 1.00 65.03 C ATOM 515 CG LEU A 37 -29.891 63.497 -25.183 1.00 13.42 C ATOM 516 CD1 LEU A 37 -29.047 62.693 -24.208 1.00 64.14 C ATOM 517 CD2 LEU A 37 -30.423 64.759 -24.516 1.00 41.34 C ATOM 0 H LEU A 37 -31.431 63.087 -27.361 1.00 1.41 H new ATOM 0 HA LEU A 37 -28.707 63.338 -28.484 1.00 11.45 H new ATOM 0 HB2 LEU A 37 -28.022 63.771 -26.189 1.00 65.03 H new ATOM 0 HB3 LEU A 37 -29.271 64.899 -26.677 1.00 65.03 H new ATOM 0 HG LEU A 37 -30.739 62.883 -25.487 1.00 13.42 H new ATOM 0 HD11 LEU A 37 -29.641 62.449 -23.327 1.00 64.14 H new ATOM 0 HD12 LEU A 37 -28.715 61.772 -24.688 1.00 64.14 H new ATOM 0 HD13 LEU A 37 -28.179 63.280 -23.909 1.00 64.14 H new ATOM 0 HD21 LEU A 37 -30.997 64.488 -23.630 1.00 41.34 H new ATOM 0 HD22 LEU A 37 -29.588 65.397 -24.226 1.00 41.34 H new ATOM 0 HD23 LEU A 37 -31.065 65.296 -25.214 1.00 41.34 H new ATOM 529 N LEU A 38 -28.249 60.925 -28.235 1.00 14.23 N ATOM 530 CA LEU A 38 -27.882 59.524 -28.069 1.00 22.41 C ATOM 531 C LEU A 38 -27.300 59.275 -26.680 1.00 3.22 C ATOM 532 O LEU A 38 -26.333 59.912 -26.262 1.00 53.44 O ATOM 533 CB LEU A 38 -26.873 59.109 -29.140 1.00 55.21 C ATOM 534 CG LEU A 38 -26.488 57.629 -29.162 1.00 32.30 C ATOM 535 CD1 LEU A 38 -27.434 56.845 -30.057 1.00 52.50 C ATOM 536 CD2 LEU A 38 -25.049 57.459 -29.625 1.00 63.14 C ATOM 0 H LEU A 38 -27.831 61.376 -29.049 1.00 14.23 H new ATOM 0 HA LEU A 38 -28.784 58.922 -28.178 1.00 22.41 H new ATOM 0 HB2 LEU A 38 -27.280 59.372 -30.116 1.00 55.21 H new ATOM 0 HB3 LEU A 38 -25.966 59.698 -29.004 1.00 55.21 H new ATOM 0 HG LEU A 38 -26.571 57.237 -28.148 1.00 32.30 H new ATOM 0 HD11 LEU A 38 -27.145 55.794 -30.060 1.00 52.50 H new ATOM 0 HD12 LEU A 38 -28.453 56.940 -29.681 1.00 52.50 H new ATOM 0 HD13 LEU A 38 -27.384 57.238 -31.072 1.00 52.50 H new ATOM 0 HD21 LEU A 38 -24.793 56.400 -29.634 1.00 63.14 H new ATOM 0 HD22 LEU A 38 -24.939 57.868 -30.629 1.00 63.14 H new ATOM 0 HD23 LEU A 38 -24.383 57.988 -28.943 1.00 63.14 H new ATOM 548 N PRO A 39 -27.900 58.324 -25.949 1.00 14.04 N ATOM 549 CA PRO A 39 -27.456 57.967 -24.597 1.00 51.54 C ATOM 550 C PRO A 39 -26.110 57.253 -24.600 1.00 51.12 C ATOM 551 O PRO A 39 -25.680 56.722 -25.625 1.00 11.14 O ATOM 552 CB PRO A 39 -28.559 57.029 -24.099 1.00 5.01 C ATOM 553 CG PRO A 39 -29.151 56.450 -25.336 1.00 71.32 C ATOM 554 CD PRO A 39 -29.059 57.525 -26.383 1.00 4.40 C ATOM 0 HA PRO A 39 -27.310 58.846 -23.969 1.00 51.54 H new ATOM 0 HB2 PRO A 39 -28.154 56.251 -23.452 1.00 5.01 H new ATOM 0 HB3 PRO A 39 -29.306 57.570 -23.518 1.00 5.01 H new ATOM 0 HG2 PRO A 39 -28.610 55.556 -25.646 1.00 71.32 H new ATOM 0 HG3 PRO A 39 -30.187 56.154 -25.171 1.00 71.32 H new ATOM 0 HD2 PRO A 39 -28.908 57.106 -27.378 1.00 4.40 H new ATOM 0 HD3 PRO A 39 -29.968 58.125 -26.424 1.00 4.40 H new ATOM 562 N GLU A 40 -25.448 57.242 -23.447 1.00 3.11 N ATOM 563 CA GLU A 40 -24.149 56.592 -23.320 1.00 30.53 C ATOM 564 C GLU A 40 -24.250 55.105 -23.650 1.00 3.24 C ATOM 565 O GLU A 40 -25.337 54.546 -23.785 1.00 72.10 O ATOM 566 CB GLU A 40 -23.601 56.774 -21.902 1.00 3.30 C ATOM 567 CG GLU A 40 -22.466 57.780 -21.813 1.00 13.01 C ATOM 568 CD GLU A 40 -21.721 57.704 -20.494 1.00 13.21 C ATOM 569 OE1 GLU A 40 -21.579 56.586 -19.958 1.00 2.31 O ATOM 570 OE2 GLU A 40 -21.282 58.764 -19.999 1.00 43.20 O ATOM 0 H GLU A 40 -25.789 57.675 -22.589 1.00 3.11 H new ATOM 0 HA GLU A 40 -23.466 57.059 -24.030 1.00 30.53 H new ATOM 0 HB2 GLU A 40 -24.411 57.094 -21.247 1.00 3.30 H new ATOM 0 HB3 GLU A 40 -23.252 55.811 -21.530 1.00 3.30 H new ATOM 0 HG2 GLU A 40 -21.767 57.607 -22.631 1.00 13.01 H new ATOM 0 HG3 GLU A 40 -22.866 58.786 -21.943 1.00 13.01 H new ATOM 577 N PRO A 41 -23.087 54.450 -23.785 1.00 10.02 N ATOM 578 CA PRO A 41 -23.016 53.020 -24.101 1.00 51.52 C ATOM 579 C PRO A 41 -23.487 52.147 -22.945 1.00 62.34 C ATOM 580 O PRO A 41 -23.429 50.919 -23.019 1.00 53.21 O ATOM 581 CB PRO A 41 -21.527 52.791 -24.374 1.00 72.43 C ATOM 582 CG PRO A 41 -20.833 53.865 -23.610 1.00 23.33 C ATOM 583 CD PRO A 41 -21.752 55.054 -23.638 1.00 42.12 C ATOM 0 HA PRO A 41 -23.662 52.755 -24.938 1.00 51.52 H new ATOM 0 HB2 PRO A 41 -21.211 51.802 -24.042 1.00 72.43 H new ATOM 0 HB3 PRO A 41 -21.305 52.856 -25.439 1.00 72.43 H new ATOM 0 HG2 PRO A 41 -20.635 53.549 -22.586 1.00 23.33 H new ATOM 0 HG3 PRO A 41 -19.870 54.105 -24.061 1.00 23.33 H new ATOM 0 HD2 PRO A 41 -21.676 55.642 -22.724 1.00 42.12 H new ATOM 0 HD3 PRO A 41 -21.520 55.722 -24.467 1.00 42.12 H new ATOM 591 N ASP A 42 -23.953 52.786 -21.878 1.00 54.11 N ATOM 592 CA ASP A 42 -24.437 52.066 -20.705 1.00 63.43 C ATOM 593 C ASP A 42 -25.866 52.476 -20.366 1.00 60.05 C ATOM 594 O ASP A 42 -26.096 53.537 -19.788 1.00 13.23 O ATOM 595 CB ASP A 42 -23.520 52.326 -19.508 1.00 71.32 C ATOM 596 CG ASP A 42 -23.227 51.064 -18.720 1.00 62.23 C ATOM 597 OD1 ASP A 42 -24.001 50.092 -18.845 1.00 42.30 O ATOM 598 OD2 ASP A 42 -22.222 51.049 -17.977 1.00 75.21 O ATOM 0 H ASP A 42 -24.006 53.802 -21.801 1.00 54.11 H new ATOM 0 HA ASP A 42 -24.430 51.000 -20.934 1.00 63.43 H new ATOM 0 HB2 ASP A 42 -22.583 52.758 -19.859 1.00 71.32 H new ATOM 0 HB3 ASP A 42 -23.984 53.062 -18.851 1.00 71.32 H new ATOM 603 N GLN A 43 -26.823 51.627 -20.732 1.00 2.01 N ATOM 604 CA GLN A 43 -28.229 51.904 -20.468 1.00 71.52 C ATOM 605 C GLN A 43 -28.465 52.163 -18.983 1.00 25.32 C ATOM 606 O GLN A 43 -29.496 52.710 -18.594 1.00 41.43 O ATOM 607 CB GLN A 43 -29.097 50.734 -20.936 1.00 12.41 C ATOM 608 CG GLN A 43 -28.820 49.435 -20.197 1.00 14.33 C ATOM 609 CD GLN A 43 -27.751 48.597 -20.869 1.00 11.42 C ATOM 610 OE1 GLN A 43 -27.998 47.958 -21.892 1.00 21.33 O ATOM 611 NE2 GLN A 43 -26.551 48.596 -20.297 1.00 34.43 N ATOM 0 H GLN A 43 -26.649 50.744 -21.211 1.00 2.01 H new ATOM 0 HA GLN A 43 -28.506 52.800 -21.023 1.00 71.52 H new ATOM 0 HB2 GLN A 43 -30.147 50.998 -20.808 1.00 12.41 H new ATOM 0 HB3 GLN A 43 -28.935 50.577 -22.002 1.00 12.41 H new ATOM 0 HG2 GLN A 43 -28.511 49.661 -19.177 1.00 14.33 H new ATOM 0 HG3 GLN A 43 -29.741 48.856 -20.130 1.00 14.33 H new ATOM 0 HE21 GLN A 43 -26.390 49.140 -19.449 1.00 34.43 H new ATOM 0 HE22 GLN A 43 -25.792 48.051 -20.706 1.00 34.43 H new ATOM 620 N ARG A 44 -27.500 51.767 -18.159 1.00 64.12 N ATOM 621 CA ARG A 44 -27.603 51.954 -16.717 1.00 2.43 C ATOM 622 C ARG A 44 -28.361 53.237 -16.389 1.00 30.24 C ATOM 623 O ARG A 44 -29.383 53.211 -15.703 1.00 62.40 O ATOM 624 CB ARG A 44 -26.210 51.996 -16.086 1.00 13.43 C ATOM 625 CG ARG A 44 -25.407 50.723 -16.296 1.00 12.33 C ATOM 626 CD ARG A 44 -25.848 49.623 -15.343 1.00 11.03 C ATOM 627 NE ARG A 44 -24.741 49.127 -14.529 1.00 52.32 N ATOM 628 CZ ARG A 44 -23.845 48.248 -14.964 1.00 13.24 C ATOM 629 NH1 ARG A 44 -23.925 47.771 -16.198 1.00 0.31 N ATOM 630 NH2 ARG A 44 -22.867 47.846 -14.164 1.00 3.43 N ATOM 0 H ARG A 44 -26.639 51.315 -18.465 1.00 64.12 H new ATOM 0 HA ARG A 44 -28.156 51.110 -16.304 1.00 2.43 H new ATOM 0 HB2 ARG A 44 -25.657 52.837 -16.503 1.00 13.43 H new ATOM 0 HB3 ARG A 44 -26.310 52.180 -15.016 1.00 13.43 H new ATOM 0 HG2 ARG A 44 -25.524 50.383 -17.325 1.00 12.33 H new ATOM 0 HG3 ARG A 44 -24.347 50.931 -16.148 1.00 12.33 H new ATOM 0 HD2 ARG A 44 -26.635 50.002 -14.692 1.00 11.03 H new ATOM 0 HD3 ARG A 44 -26.276 48.799 -15.914 1.00 11.03 H new ATOM 0 HE ARG A 44 -24.651 49.475 -13.574 1.00 52.32 H new ATOM 0 HH11 ARG A 44 -24.676 48.079 -16.816 1.00 0.31 H new ATOM 0 HH12 ARG A 44 -23.236 47.096 -16.530 1.00 0.31 H new ATOM 0 HH21 ARG A 44 -22.802 48.212 -13.214 1.00 3.43 H new ATOM 0 HH22 ARG A 44 -22.179 47.171 -14.499 1.00 3.43 H new ATOM 644 N LYS A 45 -27.852 54.362 -16.883 1.00 24.44 N ATOM 645 CA LYS A 45 -28.479 55.656 -16.643 1.00 72.05 C ATOM 646 C LYS A 45 -28.063 56.667 -17.707 1.00 32.53 C ATOM 647 O LYS A 45 -26.891 57.031 -17.806 1.00 71.55 O ATOM 648 CB LYS A 45 -28.107 56.177 -15.254 1.00 11.31 C ATOM 649 CG LYS A 45 -28.540 57.612 -15.008 1.00 32.24 C ATOM 650 CD LYS A 45 -28.947 57.831 -13.559 1.00 35.32 C ATOM 651 CE LYS A 45 -29.024 59.311 -13.219 1.00 72.10 C ATOM 652 NZ LYS A 45 -28.535 59.589 -11.840 1.00 74.10 N ATOM 0 H LYS A 45 -27.007 54.403 -17.452 1.00 24.44 H new ATOM 0 HA LYS A 45 -29.560 55.524 -16.696 1.00 72.05 H new ATOM 0 HB2 LYS A 45 -28.562 55.535 -14.500 1.00 11.31 H new ATOM 0 HB3 LYS A 45 -27.027 56.105 -15.125 1.00 11.31 H new ATOM 0 HG2 LYS A 45 -27.724 58.288 -15.264 1.00 32.24 H new ATOM 0 HG3 LYS A 45 -29.376 57.858 -15.663 1.00 32.24 H new ATOM 0 HD2 LYS A 45 -29.915 57.364 -13.377 1.00 35.32 H new ATOM 0 HD3 LYS A 45 -28.229 57.342 -12.901 1.00 35.32 H new ATOM 0 HE2 LYS A 45 -28.432 59.880 -13.936 1.00 72.10 H new ATOM 0 HE3 LYS A 45 -30.055 59.653 -13.315 1.00 72.10 H new ATOM 0 HZ1 LYS A 45 -28.604 60.608 -11.646 1.00 74.10 H new ATOM 0 HZ2 LYS A 45 -29.116 59.066 -11.154 1.00 74.10 H new ATOM 0 HZ3 LYS A 45 -27.544 59.287 -11.756 1.00 74.10 H new ATOM 666 N VAL A 46 -29.030 57.120 -18.498 1.00 74.42 N ATOM 667 CA VAL A 46 -28.764 58.091 -19.552 1.00 74.33 C ATOM 668 C VAL A 46 -29.400 59.439 -19.231 1.00 20.44 C ATOM 669 O VAL A 46 -30.551 59.509 -18.799 1.00 21.51 O ATOM 670 CB VAL A 46 -29.290 57.600 -20.914 1.00 43.25 C ATOM 671 CG1 VAL A 46 -28.995 56.119 -21.098 1.00 41.53 C ATOM 672 CG2 VAL A 46 -30.781 57.874 -21.040 1.00 20.20 C ATOM 0 H VAL A 46 -30.005 56.830 -18.429 1.00 74.42 H new ATOM 0 HA VAL A 46 -27.682 58.207 -19.609 1.00 74.33 H new ATOM 0 HB VAL A 46 -28.775 58.150 -21.702 1.00 43.25 H new ATOM 0 HG11 VAL A 46 -29.374 55.790 -22.066 1.00 41.53 H new ATOM 0 HG12 VAL A 46 -27.918 55.954 -21.055 1.00 41.53 H new ATOM 0 HG13 VAL A 46 -29.481 55.550 -20.306 1.00 41.53 H new ATOM 0 HG21 VAL A 46 -31.135 57.521 -22.008 1.00 20.20 H new ATOM 0 HG22 VAL A 46 -31.315 57.353 -20.246 1.00 20.20 H new ATOM 0 HG23 VAL A 46 -30.962 58.946 -20.956 1.00 20.20 H new ATOM 682 N THR A 47 -28.641 60.511 -19.443 1.00 72.34 N ATOM 683 CA THR A 47 -29.131 61.858 -19.176 1.00 5.21 C ATOM 684 C THR A 47 -29.919 62.402 -20.361 1.00 71.44 C ATOM 685 O THR A 47 -29.622 62.041 -21.499 1.00 23.43 O ATOM 686 CB THR A 47 -27.971 62.822 -18.857 1.00 32.53 C ATOM 687 OG1 THR A 47 -27.052 62.201 -17.953 1.00 62.31 O ATOM 688 CG2 THR A 47 -28.496 64.115 -18.249 1.00 25.42 C ATOM 0 H THR A 47 -27.686 60.472 -19.798 1.00 72.34 H new ATOM 0 HA THR A 47 -29.788 61.791 -18.309 1.00 5.21 H new ATOM 0 HB THR A 47 -27.457 63.059 -19.788 1.00 32.53 H new ATOM 0 HG1 THR A 47 -26.317 62.819 -17.757 1.00 62.31 H new ATOM 0 HG21 THR A 47 -27.660 64.780 -18.032 1.00 25.42 H new ATOM 0 HG22 THR A 47 -29.172 64.600 -18.953 1.00 25.42 H new ATOM 0 HG23 THR A 47 -29.032 63.892 -17.326 1.00 25.42 H new ATOM 696 N CYS A 48 -30.897 63.250 -20.074 1.00 23.53 N ATOM 697 CA CYS A 48 -31.714 63.832 -21.123 1.00 63.02 C ATOM 698 C CYS A 48 -30.989 65.065 -21.669 1.00 44.02 C ATOM 699 O CYS A 48 -31.559 65.896 -22.374 1.00 4.13 O ATOM 700 CB CYS A 48 -33.119 64.172 -20.623 1.00 41.14 C ATOM 701 SG CYS A 48 -34.323 62.950 -21.264 1.00 13.04 S ATOM 0 H CYS A 48 -31.141 63.547 -19.129 1.00 23.53 H new ATOM 0 HA CYS A 48 -31.850 63.107 -21.925 1.00 63.02 H new ATOM 0 HB2 CYS A 48 -33.136 64.174 -19.533 1.00 41.14 H new ATOM 0 HB3 CYS A 48 -33.397 65.174 -20.948 1.00 41.14 H new ATOM 0 HG CYS A 48 -33.723 61.815 -21.466 1.00 13.04 H new ATOM 706 N GLU A 49 -29.710 65.163 -21.321 1.00 41.55 N ATOM 707 CA GLU A 49 -28.884 66.282 -21.761 1.00 44.34 C ATOM 708 C GLU A 49 -27.476 65.811 -22.119 1.00 74.45 C ATOM 709 O GLU A 49 -26.972 64.842 -21.553 1.00 41.31 O ATOM 710 CB GLU A 49 -28.814 67.353 -20.670 1.00 44.15 C ATOM 711 CG GLU A 49 -27.524 67.320 -19.868 1.00 4.33 C ATOM 712 CD GLU A 49 -27.419 68.470 -18.885 1.00 33.53 C ATOM 713 OE1 GLU A 49 -28.287 68.565 -17.992 1.00 15.54 O ATOM 714 OE2 GLU A 49 -26.471 69.274 -19.008 1.00 54.54 O ATOM 0 H GLU A 49 -29.224 64.483 -20.737 1.00 41.55 H new ATOM 0 HA GLU A 49 -29.342 66.711 -22.652 1.00 44.34 H new ATOM 0 HB2 GLU A 49 -28.921 68.336 -21.130 1.00 44.15 H new ATOM 0 HB3 GLU A 49 -29.657 67.224 -19.992 1.00 44.15 H new ATOM 0 HG2 GLU A 49 -27.462 66.377 -19.326 1.00 4.33 H new ATOM 0 HG3 GLU A 49 -26.675 67.352 -20.551 1.00 4.33 H new ATOM 775 N GLY A 55 -31.166 69.158 -23.406 1.00 22.11 N ATOM 776 CA GLY A 55 -31.148 68.854 -21.986 1.00 42.43 C ATOM 777 C GLY A 55 -32.511 69.014 -21.342 1.00 3.12 C ATOM 778 O GLY A 55 -32.838 70.115 -20.900 1.00 62.43 O ATOM 0 HA2 GLY A 55 -30.799 67.832 -21.841 1.00 42.43 H new ATOM 0 HA3 GLY A 55 -30.434 69.509 -21.486 1.00 42.43 H new ATOM 782 N CYS A 56 -33.273 67.931 -21.300 1.00 55.44 N ATOM 783 CA CYS A 56 -34.599 67.972 -20.706 1.00 45.25 C ATOM 784 C CYS A 56 -34.445 68.214 -19.204 1.00 5.23 C ATOM 785 O CYS A 56 -34.928 69.200 -18.649 1.00 71.34 O ATOM 786 CB CYS A 56 -35.389 66.694 -21.000 1.00 11.42 C ATOM 787 SG CYS A 56 -35.045 66.124 -22.705 1.00 24.34 S ATOM 0 H CYS A 56 -32.998 67.020 -21.667 1.00 55.44 H new ATOM 0 HA CYS A 56 -35.173 68.787 -21.147 1.00 45.25 H new ATOM 0 HB2 CYS A 56 -35.117 65.916 -20.286 1.00 11.42 H new ATOM 0 HB3 CYS A 56 -36.456 66.880 -20.878 1.00 11.42 H new ATOM 0 HG CYS A 56 -36.032 66.459 -23.482 1.00 24.34 H new ATOM 792 N GLY A 57 -33.753 67.285 -18.552 1.00 23.13 N ATOM 793 CA GLY A 57 -33.531 67.392 -17.122 1.00 72.42 C ATOM 794 C GLY A 57 -33.913 66.126 -16.381 1.00 22.23 C ATOM 795 O GLY A 57 -34.018 66.124 -15.154 1.00 63.42 O ATOM 0 H GLY A 57 -33.342 66.460 -18.989 1.00 23.13 H new ATOM 0 HA2 GLY A 57 -32.481 67.616 -16.936 1.00 72.42 H new ATOM 0 HA3 GLY A 57 -34.109 68.228 -16.729 1.00 72.42 H new ATOM 799 N PHE A 58 -34.124 65.045 -17.125 1.00 51.31 N ATOM 800 CA PHE A 58 -34.500 63.768 -16.532 1.00 21.32 C ATOM 801 C PHE A 58 -33.872 62.607 -17.296 1.00 64.30 C ATOM 802 O PHE A 58 -34.041 62.484 -18.509 1.00 11.32 O ATOM 803 CB PHE A 58 -36.022 63.618 -16.514 1.00 72.01 C ATOM 804 CG PHE A 58 -36.497 62.414 -15.751 1.00 24.31 C ATOM 805 CD1 PHE A 58 -36.652 61.192 -16.387 1.00 13.12 C ATOM 806 CD2 PHE A 58 -36.788 62.503 -14.399 1.00 62.13 C ATOM 807 CE1 PHE A 58 -37.088 60.081 -15.688 1.00 51.00 C ATOM 808 CE2 PHE A 58 -37.223 61.396 -13.695 1.00 52.35 C ATOM 809 CZ PHE A 58 -37.375 60.185 -14.342 1.00 64.50 C ATOM 0 H PHE A 58 -34.041 65.029 -18.141 1.00 51.31 H new ATOM 0 HA PHE A 58 -34.128 63.749 -15.508 1.00 21.32 H new ATOM 0 HB2 PHE A 58 -36.462 64.513 -16.075 1.00 72.01 H new ATOM 0 HB3 PHE A 58 -36.385 63.555 -17.540 1.00 72.01 H new ATOM 0 HD1 PHE A 58 -36.430 61.107 -17.440 1.00 13.12 H new ATOM 0 HD2 PHE A 58 -36.674 63.448 -13.890 1.00 62.13 H new ATOM 0 HE1 PHE A 58 -37.204 59.134 -16.194 1.00 51.00 H new ATOM 0 HE2 PHE A 58 -37.444 61.478 -12.641 1.00 52.35 H new ATOM 0 HZ PHE A 58 -37.718 59.320 -13.795 1.00 64.50 H new ATOM 819 N ALA A 59 -33.147 61.755 -16.578 1.00 1.23 N ATOM 820 CA ALA A 59 -32.494 60.604 -17.188 1.00 22.31 C ATOM 821 C ALA A 59 -33.493 59.481 -17.447 1.00 23.43 C ATOM 822 O ALA A 59 -34.457 59.309 -16.701 1.00 0.44 O ATOM 823 CB ALA A 59 -31.359 60.110 -16.304 1.00 33.44 C ATOM 0 H ALA A 59 -32.997 61.841 -15.573 1.00 1.23 H new ATOM 0 HA ALA A 59 -32.082 60.917 -18.147 1.00 22.31 H new ATOM 0 HB1 ALA A 59 -30.881 59.250 -16.773 1.00 33.44 H new ATOM 0 HB2 ALA A 59 -30.626 60.906 -16.174 1.00 33.44 H new ATOM 0 HB3 ALA A 59 -31.756 59.819 -15.331 1.00 33.44 H new ATOM 829 N PHE A 60 -33.256 58.718 -18.509 1.00 13.44 N ATOM 830 CA PHE A 60 -34.136 57.611 -18.868 1.00 13.22 C ATOM 831 C PHE A 60 -33.346 56.317 -19.028 1.00 3.15 C ATOM 832 O PHE A 60 -32.129 56.326 -18.841 1.00 14.33 O ATOM 833 CB PHE A 60 -34.886 57.929 -20.163 1.00 21.30 C ATOM 834 CG PHE A 60 -33.995 58.429 -21.264 1.00 73.10 C ATOM 835 CD1 PHE A 60 -33.471 59.711 -21.218 1.00 63.15 C ATOM 836 CD2 PHE A 60 -33.685 57.619 -22.343 1.00 41.14 C ATOM 837 CE1 PHE A 60 -32.650 60.174 -22.231 1.00 32.53 C ATOM 838 CE2 PHE A 60 -32.865 58.077 -23.358 1.00 54.13 C ATOM 839 CZ PHE A 60 -32.349 59.357 -23.302 1.00 5.12 C ATOM 0 H PHE A 60 -32.462 58.846 -19.136 1.00 13.44 H new ATOM 0 HA PHE A 60 -34.857 57.476 -18.062 1.00 13.22 H new ATOM 0 HB2 PHE A 60 -35.403 57.032 -20.504 1.00 21.30 H new ATOM 0 HB3 PHE A 60 -35.650 58.678 -19.956 1.00 21.30 H new ATOM 0 HD1 PHE A 60 -33.706 60.355 -20.383 1.00 63.15 H new ATOM 0 HD2 PHE A 60 -34.088 56.618 -22.393 1.00 41.14 H new ATOM 0 HE1 PHE A 60 -32.245 61.174 -22.184 1.00 32.53 H new ATOM 0 HE2 PHE A 60 -32.628 57.435 -24.193 1.00 54.13 H new ATOM 0 HZ PHE A 60 -31.711 59.718 -24.095 1.00 5.12 H new ATOM 849 N CYS A 61 -34.045 55.243 -19.365 1.00 3.24 N ATOM 850 CA CYS A 61 -33.397 53.955 -19.546 1.00 74.20 C ATOM 851 C CYS A 61 -33.345 53.649 -21.043 1.00 41.13 C ATOM 852 O CYS A 61 -34.367 53.528 -21.722 1.00 4.35 O ATOM 853 CB CYS A 61 -34.108 52.851 -18.762 1.00 74.20 C ATOM 854 SG CYS A 61 -33.390 51.222 -19.184 1.00 21.12 S ATOM 0 H CYS A 61 -35.054 55.238 -19.517 1.00 3.24 H new ATOM 0 HA CYS A 61 -32.382 53.996 -19.150 1.00 74.20 H new ATOM 0 HB2 CYS A 61 -34.012 53.034 -17.692 1.00 74.20 H new ATOM 0 HB3 CYS A 61 -35.173 52.859 -18.992 1.00 74.20 H new ATOM 0 HG CYS A 61 -34.293 50.298 -19.037 1.00 21.12 H new ATOM 859 N ARG A 62 -32.123 53.525 -21.550 1.00 4.32 N ATOM 860 CA ARG A 62 -31.906 53.235 -22.962 1.00 65.21 C ATOM 861 C ARG A 62 -32.423 51.844 -23.316 1.00 62.14 C ATOM 862 O ARG A 62 -32.942 51.626 -24.411 1.00 33.33 O ATOM 863 CB ARG A 62 -30.418 53.339 -23.303 1.00 13.24 C ATOM 864 CG ARG A 62 -30.023 52.562 -24.547 1.00 64.32 C ATOM 865 CD ARG A 62 -28.513 52.528 -24.726 1.00 72.43 C ATOM 866 NE ARG A 62 -28.120 51.783 -25.920 1.00 72.42 N ATOM 867 CZ ARG A 62 -26.977 51.981 -26.567 1.00 51.22 C ATOM 868 NH1 ARG A 62 -26.118 52.895 -26.138 1.00 22.22 N ATOM 869 NH2 ARG A 62 -26.691 51.264 -27.646 1.00 3.53 N ATOM 0 H ARG A 62 -31.267 53.621 -21.003 1.00 4.32 H new ATOM 0 HA ARG A 62 -32.458 53.970 -23.547 1.00 65.21 H new ATOM 0 HB2 ARG A 62 -30.158 54.388 -23.443 1.00 13.24 H new ATOM 0 HB3 ARG A 62 -29.834 52.976 -22.457 1.00 13.24 H new ATOM 0 HG2 ARG A 62 -30.405 51.544 -24.478 1.00 64.32 H new ATOM 0 HG3 ARG A 62 -30.484 53.017 -25.423 1.00 64.32 H new ATOM 0 HD2 ARG A 62 -28.133 53.547 -24.793 1.00 72.43 H new ATOM 0 HD3 ARG A 62 -28.054 52.074 -23.848 1.00 72.43 H new ATOM 0 HE ARG A 62 -28.759 51.072 -26.276 1.00 72.42 H new ATOM 0 HH11 ARG A 62 -26.334 53.449 -25.309 1.00 22.22 H new ATOM 0 HH12 ARG A 62 -25.241 53.045 -26.637 1.00 22.22 H new ATOM 0 HH21 ARG A 62 -27.349 50.560 -27.980 1.00 3.53 H new ATOM 0 HH22 ARG A 62 -25.813 51.417 -28.142 1.00 3.53 H new ATOM 883 N GLU A 63 -32.277 50.908 -22.384 1.00 12.11 N ATOM 884 CA GLU A 63 -32.729 49.538 -22.601 1.00 34.34 C ATOM 885 C GLU A 63 -34.181 49.511 -23.071 1.00 1.12 C ATOM 886 O GLU A 63 -34.491 48.807 -24.030 1.00 3.55 O ATOM 887 CB GLU A 63 -32.583 48.722 -21.315 1.00 25.43 C ATOM 888 CG GLU A 63 -32.776 47.227 -21.518 1.00 4.41 C ATOM 889 CD GLU A 63 -31.903 46.395 -20.599 1.00 34.24 C ATOM 890 OE1 GLU A 63 -32.118 46.449 -19.369 1.00 73.01 O ATOM 891 OE2 GLU A 63 -31.007 45.693 -21.107 1.00 3.10 O ATOM 0 H GLU A 63 -31.850 51.072 -21.472 1.00 12.11 H new ATOM 0 HA GLU A 63 -32.106 49.095 -23.378 1.00 34.34 H new ATOM 0 HB2 GLU A 63 -31.594 48.898 -20.893 1.00 25.43 H new ATOM 0 HB3 GLU A 63 -33.309 49.078 -20.584 1.00 25.43 H new ATOM 0 HG2 GLU A 63 -33.822 46.973 -21.347 1.00 4.41 H new ATOM 0 HG3 GLU A 63 -32.552 46.973 -22.554 1.00 4.41 H new ATOM 898 N CYS A 64 -35.028 50.272 -22.392 1.00 41.04 N ATOM 899 CA CYS A 64 -36.435 50.326 -22.750 1.00 35.00 C ATOM 900 C CYS A 64 -36.737 51.719 -23.305 1.00 14.43 C ATOM 901 O CYS A 64 -37.876 52.066 -23.619 1.00 33.42 O ATOM 902 CB CYS A 64 -37.334 49.979 -21.561 1.00 73.52 C ATOM 903 SG CYS A 64 -36.850 50.968 -20.100 1.00 34.11 S ATOM 0 H CYS A 64 -34.767 50.855 -21.597 1.00 41.04 H new ATOM 0 HA CYS A 64 -36.647 49.578 -23.514 1.00 35.00 H new ATOM 0 HB2 CYS A 64 -38.376 50.174 -21.813 1.00 73.52 H new ATOM 0 HB3 CYS A 64 -37.255 48.916 -21.333 1.00 73.52 H new ATOM 0 HG CYS A 64 -37.120 50.302 -19.017 1.00 34.11 H new ATOM 908 N LYS A 65 -35.681 52.518 -23.421 1.00 73.50 N ATOM 909 CA LYS A 65 -35.802 53.877 -23.935 1.00 64.03 C ATOM 910 C LYS A 65 -37.022 54.575 -23.345 1.00 11.43 C ATOM 911 O LYS A 65 -37.645 55.412 -23.998 1.00 41.32 O ATOM 912 CB LYS A 65 -35.900 53.859 -25.463 1.00 41.14 C ATOM 913 CG LYS A 65 -36.759 52.728 -26.004 1.00 30.02 C ATOM 914 CD LYS A 65 -36.781 52.724 -27.523 1.00 25.20 C ATOM 915 CE LYS A 65 -38.173 53.017 -28.061 1.00 43.14 C ATOM 916 NZ LYS A 65 -38.147 53.360 -29.510 1.00 73.23 N ATOM 0 H LYS A 65 -34.731 52.247 -23.166 1.00 73.50 H new ATOM 0 HA LYS A 65 -34.911 54.431 -23.640 1.00 64.03 H new ATOM 0 HB2 LYS A 65 -36.309 54.810 -25.804 1.00 41.14 H new ATOM 0 HB3 LYS A 65 -34.897 53.775 -25.882 1.00 41.14 H new ATOM 0 HG2 LYS A 65 -36.376 51.774 -25.642 1.00 30.02 H new ATOM 0 HG3 LYS A 65 -37.776 52.828 -25.624 1.00 30.02 H new ATOM 0 HD2 LYS A 65 -36.080 53.469 -27.900 1.00 25.20 H new ATOM 0 HD3 LYS A 65 -36.444 51.754 -27.890 1.00 25.20 H new ATOM 0 HE2 LYS A 65 -38.813 52.149 -27.905 1.00 43.14 H new ATOM 0 HE3 LYS A 65 -38.613 53.842 -27.500 1.00 43.14 H new ATOM 0 HZ1 LYS A 65 -39.115 53.553 -29.839 1.00 73.23 H new ATOM 0 HZ2 LYS A 65 -37.557 54.204 -29.656 1.00 73.23 H new ATOM 0 HZ3 LYS A 65 -37.751 52.563 -30.048 1.00 73.23 H new ATOM 930 N GLU A 66 -37.358 54.226 -22.107 1.00 4.31 N ATOM 931 CA GLU A 66 -38.504 54.823 -21.431 1.00 23.54 C ATOM 932 C GLU A 66 -38.077 55.495 -20.128 1.00 52.42 C ATOM 933 O GLU A 66 -36.910 55.442 -19.743 1.00 71.33 O ATOM 934 CB GLU A 66 -39.564 53.758 -21.144 1.00 63.21 C ATOM 935 CG GLU A 66 -40.890 54.015 -21.841 1.00 63.13 C ATOM 936 CD GLU A 66 -41.730 55.058 -21.131 1.00 3.44 C ATOM 937 OE1 GLU A 66 -41.548 55.232 -19.907 1.00 70.22 O ATOM 938 OE2 GLU A 66 -42.568 55.699 -21.796 1.00 20.24 O ATOM 0 H GLU A 66 -36.854 53.534 -21.553 1.00 4.31 H new ATOM 0 HA GLU A 66 -38.929 55.581 -22.089 1.00 23.54 H new ATOM 0 HB2 GLU A 66 -39.183 52.785 -21.454 1.00 63.21 H new ATOM 0 HB3 GLU A 66 -39.733 53.706 -20.068 1.00 63.21 H new ATOM 0 HG2 GLU A 66 -40.701 54.341 -22.864 1.00 63.13 H new ATOM 0 HG3 GLU A 66 -41.451 53.082 -21.902 1.00 63.13 H new ATOM 945 N ALA A 67 -39.033 56.129 -19.456 1.00 21.44 N ATOM 946 CA ALA A 67 -38.758 56.810 -18.198 1.00 3.10 C ATOM 947 C ALA A 67 -38.044 55.885 -17.216 1.00 42.25 C ATOM 948 O ALA A 67 -38.408 54.719 -17.072 1.00 61.11 O ATOM 949 CB ALA A 67 -40.049 57.334 -17.588 1.00 73.42 C ATOM 0 H ALA A 67 -40.004 56.185 -19.762 1.00 21.44 H new ATOM 0 HA ALA A 67 -38.099 57.653 -18.407 1.00 3.10 H new ATOM 0 HB1 ALA A 67 -39.828 57.840 -16.648 1.00 73.42 H new ATOM 0 HB2 ALA A 67 -40.518 58.036 -18.277 1.00 73.42 H new ATOM 0 HB3 ALA A 67 -40.727 56.501 -17.401 1.00 73.42 H new ATOM 955 N TYR A 68 -37.027 56.414 -16.546 1.00 41.32 N ATOM 956 CA TYR A 68 -36.261 55.635 -15.582 1.00 4.30 C ATOM 957 C TYR A 68 -37.182 54.965 -14.567 1.00 62.44 C ATOM 958 O TYR A 68 -37.751 55.624 -13.696 1.00 42.44 O ATOM 959 CB TYR A 68 -35.252 56.529 -14.857 1.00 42.44 C ATOM 960 CG TYR A 68 -33.980 55.814 -14.465 1.00 21.41 C ATOM 961 CD1 TYR A 68 -33.012 55.506 -15.414 1.00 32.31 C ATOM 962 CD2 TYR A 68 -33.745 55.445 -13.147 1.00 32.54 C ATOM 963 CE1 TYR A 68 -31.848 54.851 -15.059 1.00 64.22 C ATOM 964 CE2 TYR A 68 -32.584 54.790 -12.783 1.00 12.50 C ATOM 965 CZ TYR A 68 -31.639 54.496 -13.743 1.00 62.33 C ATOM 966 OH TYR A 68 -30.481 53.844 -13.386 1.00 32.51 O ATOM 0 H TYR A 68 -36.714 57.379 -16.653 1.00 41.32 H new ATOM 0 HA TYR A 68 -35.724 54.859 -16.127 1.00 4.30 H new ATOM 0 HB2 TYR A 68 -35.001 57.373 -15.499 1.00 42.44 H new ATOM 0 HB3 TYR A 68 -35.720 56.938 -13.961 1.00 42.44 H new ATOM 0 HD1 TYR A 68 -33.172 55.783 -16.445 1.00 32.31 H new ATOM 0 HD2 TYR A 68 -34.483 55.674 -12.393 1.00 32.54 H new ATOM 0 HE1 TYR A 68 -31.106 54.618 -15.808 1.00 64.22 H new ATOM 0 HE2 TYR A 68 -32.418 54.510 -11.753 1.00 12.50 H new ATOM 0 HH TYR A 68 -29.863 53.835 -14.146 1.00 32.51 H new ATOM 976 N HIS A 69 -37.324 53.648 -14.687 1.00 43.52 N ATOM 977 CA HIS A 69 -38.175 52.886 -13.780 1.00 21.24 C ATOM 978 C HIS A 69 -37.425 52.531 -12.500 1.00 42.34 C ATOM 979 O HIS A 69 -38.035 52.187 -11.489 1.00 34.34 O ATOM 980 CB HIS A 69 -38.672 51.612 -14.464 1.00 51.43 C ATOM 981 CG HIS A 69 -37.676 51.010 -15.406 1.00 31.22 C ATOM 982 ND1 HIS A 69 -36.323 51.000 -15.375 1.00 44.52 N flip ATOM 983 CD2 HIS A 69 -38.037 50.317 -16.541 1.00 3.10 C flip ATOM 984 CE1 HIS A 69 -35.895 50.309 -16.481 1.00 24.12 C flip ATOM 985 NE2 HIS A 69 -36.949 49.906 -17.168 1.00 22.30 N flip ATOM 0 H HIS A 69 -36.861 53.087 -15.403 1.00 43.52 H new ATOM 0 HA HIS A 69 -39.032 53.507 -13.517 1.00 21.24 H new ATOM 0 HB2 HIS A 69 -38.929 50.877 -13.701 1.00 51.43 H new ATOM 0 HB3 HIS A 69 -39.587 51.837 -15.011 1.00 51.43 H new ATOM 0 HD1 HIS A 69 -35.731 51.427 -14.662 1.00 44.52 H new ATOM 0 HD2 HIS A 69 -39.051 50.138 -16.867 1.00 3.10 H new ATOM 0 HE1 HIS A 69 -34.864 50.125 -16.746 1.00 24.12 H new ATOM 993 N GLU A 70 -36.099 52.616 -12.553 1.00 15.40 N ATOM 994 CA GLU A 70 -35.267 52.303 -11.398 1.00 70.04 C ATOM 995 C GLU A 70 -35.486 50.862 -10.945 1.00 41.40 C ATOM 996 O GLU A 70 -35.610 50.586 -9.752 1.00 43.13 O ATOM 997 CB GLU A 70 -35.571 53.262 -10.245 1.00 51.43 C ATOM 998 CG GLU A 70 -34.331 53.764 -9.529 1.00 31.23 C ATOM 999 CD GLU A 70 -34.324 55.271 -9.358 1.00 44.32 C ATOM 1000 OE1 GLU A 70 -33.863 55.969 -10.286 1.00 2.13 O ATOM 1001 OE2 GLU A 70 -34.779 55.751 -8.298 1.00 41.53 O ATOM 0 H GLU A 70 -35.579 52.899 -13.383 1.00 15.40 H new ATOM 0 HA GLU A 70 -34.224 52.420 -11.693 1.00 70.04 H new ATOM 0 HB2 GLU A 70 -36.128 54.116 -10.631 1.00 51.43 H new ATOM 0 HB3 GLU A 70 -36.217 52.759 -9.526 1.00 51.43 H new ATOM 0 HG2 GLU A 70 -34.266 53.291 -8.549 1.00 31.23 H new ATOM 0 HG3 GLU A 70 -33.446 53.462 -10.089 1.00 31.23 H new ATOM 1008 N GLY A 71 -35.534 49.946 -11.908 1.00 61.34 N ATOM 1009 CA GLY A 71 -35.739 48.544 -11.590 1.00 12.22 C ATOM 1010 C GLY A 71 -35.245 47.623 -12.687 1.00 71.52 C ATOM 1011 O GLY A 71 -34.043 47.523 -12.928 1.00 5.50 O ATOM 0 H GLY A 71 -35.435 50.150 -12.903 1.00 61.34 H new ATOM 0 HA2 GLY A 71 -35.222 48.306 -10.660 1.00 12.22 H new ATOM 0 HA3 GLY A 71 -36.801 48.365 -11.420 1.00 12.22 H new ATOM 1015 N GLU A 72 -36.176 46.945 -13.352 1.00 12.33 N ATOM 1016 CA GLU A 72 -35.827 46.024 -14.428 1.00 61.15 C ATOM 1017 C GLU A 72 -36.821 46.133 -15.581 1.00 1.21 C ATOM 1018 O GLU A 72 -38.022 45.987 -15.357 1.00 50.43 O ATOM 1019 CB GLU A 72 -35.791 44.586 -13.906 1.00 2.32 C ATOM 1020 CG GLU A 72 -37.076 44.154 -13.220 1.00 4.33 C ATOM 1021 CD GLU A 72 -36.928 42.839 -12.481 1.00 21.33 C ATOM 1022 OE1 GLU A 72 -37.145 41.780 -13.104 1.00 24.34 O ATOM 1023 OE2 GLU A 72 -36.596 42.871 -11.276 1.00 50.11 O ATOM 0 H GLU A 72 -37.176 47.016 -13.165 1.00 12.33 H new ATOM 0 HA GLU A 72 -34.838 46.294 -14.797 1.00 61.15 H new ATOM 0 HB2 GLU A 72 -35.589 43.912 -14.738 1.00 2.32 H new ATOM 0 HB3 GLU A 72 -34.963 44.484 -13.205 1.00 2.32 H new ATOM 0 HG2 GLU A 72 -37.387 44.928 -12.518 1.00 4.33 H new ATOM 0 HG3 GLU A 72 -37.867 44.062 -13.964 1.00 4.33 H new ATOM 1030 N CYS A 73 -36.305 46.386 -16.775 1.00 4.21 N ATOM 1031 CA CYS A 73 -37.155 46.513 -17.947 1.00 71.51 C ATOM 1032 C CYS A 73 -38.185 45.381 -17.917 1.00 11.23 C ATOM 1033 O CYS A 73 -39.375 45.577 -18.160 1.00 53.24 O ATOM 1034 CB CYS A 73 -36.339 46.506 -19.241 1.00 40.32 C ATOM 1035 SG CYS A 73 -35.018 47.770 -19.153 1.00 1.21 S ATOM 0 H CYS A 73 -35.308 46.507 -16.956 1.00 4.21 H new ATOM 0 HA CYS A 73 -37.670 47.474 -17.924 1.00 71.51 H new ATOM 0 HB2 CYS A 73 -35.901 45.520 -19.399 1.00 40.32 H new ATOM 0 HB3 CYS A 73 -36.990 46.706 -20.092 1.00 40.32 H new ATOM 0 HG CYS A 73 -33.858 47.184 -19.115 1.00 1.21 H new