USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=9 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 140:sc= -0.535 USER MOD Set 1.2: A 64 CYS SG : rot -51:sc= -0.685 USER MOD Set 1.3: A 69 HIS : no HD1:sc= -4.56! K(o=-7.3!,f=-0.4) USER MOD Set 1.4: A 73 CYS SG : rot -93:sc= -1.53 USER MOD Set 2.1: A 28 CYS SG : rot 126:sc= 0.463 USER MOD Set 2.2: A 33 CYS SG : rot 160:sc= 0.114 USER MOD Set 2.3: A 48 CYS SG : rot -27:sc= 0.534 USER MOD Set 2.4: A 56 CYS SG : rot 159:sc= 0.652 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -2.43! K(o=-2.4!,f=-0.15) 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 -109:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -32.611 50.164 -29.656 1.00 1.21 N ATOM 342 CA MET A 23 -32.387 51.111 -28.570 1.00 14.54 C ATOM 343 C MET A 23 -31.336 52.146 -28.959 1.00 42.33 C ATOM 344 O MET A 23 -31.457 53.323 -28.626 1.00 51.21 O ATOM 345 CB MET A 23 -31.949 50.373 -27.303 1.00 53.42 C ATOM 346 CG MET A 23 -30.783 49.423 -27.526 1.00 14.32 C ATOM 347 SD MET A 23 -29.184 50.234 -27.340 1.00 44.22 S ATOM 348 CE MET A 23 -28.103 49.025 -28.101 1.00 2.32 C ATOM 0 HA MET A 23 -33.326 51.629 -28.374 1.00 14.54 H new ATOM 0 HB2 MET A 23 -31.671 51.104 -26.544 1.00 53.42 H new ATOM 0 HB3 MET A 23 -32.795 49.810 -26.909 1.00 53.42 H new ATOM 0 HG2 MET A 23 -30.852 48.597 -26.818 1.00 14.32 H new ATOM 0 HG3 MET A 23 -30.855 48.994 -28.525 1.00 14.32 H new ATOM 0 HE1 MET A 23 -27.074 49.383 -28.064 1.00 2.32 H new ATOM 0 HE2 MET A 23 -28.178 48.080 -27.563 1.00 2.32 H new ATOM 0 HE3 MET A 23 -28.398 48.876 -29.140 1.00 2.32 H new ATOM 358 N GLY A 24 -30.303 51.696 -29.666 1.00 34.43 N ATOM 359 CA GLY A 24 -29.246 52.596 -30.088 1.00 2.24 C ATOM 360 C GLY A 24 -29.756 53.991 -30.391 1.00 74.43 C ATOM 361 O GLY A 24 -29.177 54.982 -29.951 1.00 3.32 O ATOM 0 H GLY A 24 -30.180 50.725 -29.953 1.00 34.43 H new ATOM 0 HA2 GLY A 24 -28.488 52.652 -29.307 1.00 2.24 H new ATOM 0 HA3 GLY A 24 -28.760 52.190 -30.975 1.00 2.24 H new ATOM 365 N GLY A 25 -30.848 54.069 -31.148 1.00 11.04 N ATOM 366 CA GLY A 25 -31.418 55.356 -31.496 1.00 52.41 C ATOM 367 C GLY A 25 -32.532 55.771 -30.557 1.00 55.11 C ATOM 368 O GLY A 25 -33.711 55.675 -30.899 1.00 73.22 O ATOM 0 H GLY A 25 -31.347 53.263 -31.525 1.00 11.04 H new ATOM 0 HA2 GLY A 25 -30.634 56.113 -31.481 1.00 52.41 H new ATOM 0 HA3 GLY A 25 -31.803 55.316 -32.515 1.00 52.41 H new ATOM 372 N VAL A 26 -32.160 56.235 -29.368 1.00 21.34 N ATOM 373 CA VAL A 26 -33.136 56.666 -28.375 1.00 35.51 C ATOM 374 C VAL A 26 -33.386 58.166 -28.465 1.00 13.13 C ATOM 375 O VAL A 26 -32.470 58.945 -28.735 1.00 22.32 O ATOM 376 CB VAL A 26 -32.677 56.317 -26.947 1.00 65.52 C ATOM 377 CG1 VAL A 26 -33.617 56.928 -25.919 1.00 62.21 C ATOM 378 CG2 VAL A 26 -32.588 54.808 -26.769 1.00 71.24 C ATOM 0 H VAL A 26 -31.189 56.322 -29.069 1.00 21.34 H new ATOM 0 HA VAL A 26 -34.062 56.133 -28.590 1.00 35.51 H new ATOM 0 HB VAL A 26 -31.684 56.738 -26.791 1.00 65.52 H new ATOM 0 HG11 VAL A 26 -33.276 56.670 -24.916 1.00 62.21 H new ATOM 0 HG12 VAL A 26 -33.625 58.012 -26.032 1.00 62.21 H new ATOM 0 HG13 VAL A 26 -34.624 56.540 -26.071 1.00 62.21 H new ATOM 0 HG21 VAL A 26 -32.262 54.580 -25.754 1.00 71.24 H new ATOM 0 HG22 VAL A 26 -33.567 54.363 -26.944 1.00 71.24 H new ATOM 0 HG23 VAL A 26 -31.871 54.399 -27.481 1.00 71.24 H new ATOM 388 N LEU A 27 -34.631 58.569 -28.235 1.00 72.13 N ATOM 389 CA LEU A 27 -35.003 59.979 -28.290 1.00 23.00 C ATOM 390 C LEU A 27 -36.142 60.279 -27.322 1.00 71.14 C ATOM 391 O LEU A 27 -36.910 59.375 -26.996 1.00 31.33 O ATOM 392 CB LEU A 27 -35.409 60.365 -29.712 1.00 74.43 C ATOM 393 CG LEU A 27 -36.173 59.303 -30.504 1.00 71.21 C ATOM 394 CD1 LEU A 27 -37.673 59.482 -30.331 1.00 21.11 C ATOM 395 CD2 LEU A 27 -35.793 59.360 -31.976 1.00 71.34 C ATOM 0 H LEU A 27 -35.401 57.939 -28.008 1.00 72.13 H new ATOM 0 HA LEU A 27 -34.136 60.570 -27.995 1.00 23.00 H new ATOM 0 HB2 LEU A 27 -36.024 61.264 -29.662 1.00 74.43 H new ATOM 0 HB3 LEU A 27 -34.508 60.626 -30.267 1.00 74.43 H new ATOM 0 HG LEU A 27 -35.899 58.322 -30.116 1.00 71.21 H new ATOM 0 HD11 LEU A 27 -38.199 58.717 -30.902 1.00 21.11 H new ATOM 0 HD12 LEU A 27 -37.931 59.389 -29.276 1.00 21.11 H new ATOM 0 HD13 LEU A 27 -37.966 60.469 -30.691 1.00 21.11 H new ATOM 0 HD21 LEU A 27 -36.346 58.597 -32.524 1.00 71.34 H new ATOM 0 HD22 LEU A 27 -36.037 60.344 -32.377 1.00 71.34 H new ATOM 0 HD23 LEU A 27 -34.723 59.180 -32.083 1.00 71.34 H new ATOM 407 N CYS A 28 -36.229 61.530 -26.891 1.00 71.33 N ATOM 408 CA CYS A 28 -37.278 61.931 -25.968 1.00 2.02 C ATOM 409 C CYS A 28 -38.617 61.868 -26.706 1.00 22.31 C ATOM 410 O CYS A 28 -38.779 62.329 -27.834 1.00 42.23 O ATOM 411 CB CYS A 28 -37.013 63.320 -25.382 1.00 54.34 C ATOM 412 SG CYS A 28 -36.857 63.212 -23.562 1.00 74.13 S ATOM 0 H CYS A 28 -35.591 62.278 -27.164 1.00 71.33 H new ATOM 0 HA CYS A 28 -37.301 61.248 -25.119 1.00 2.02 H new ATOM 0 HB2 CYS A 28 -36.101 63.736 -25.809 1.00 54.34 H new ATOM 0 HB3 CYS A 28 -37.826 63.996 -25.646 1.00 54.34 H new ATOM 0 HG CYS A 28 -35.729 63.741 -23.191 1.00 74.13 H new ATOM 417 N PRO A 29 -39.608 61.270 -26.028 1.00 60.45 N ATOM 418 CA PRO A 29 -40.960 61.117 -26.575 1.00 10.24 C ATOM 419 C PRO A 29 -41.698 62.447 -26.675 1.00 54.22 C ATOM 420 O PRO A 29 -42.481 62.666 -27.600 1.00 0.42 O ATOM 421 CB PRO A 29 -41.649 60.197 -25.565 1.00 30.43 C ATOM 422 CG PRO A 29 -40.911 60.415 -24.289 1.00 13.34 C ATOM 423 CD PRO A 29 -39.487 60.697 -24.678 1.00 2.15 C ATOM 0 HA PRO A 29 -40.947 60.723 -27.591 1.00 10.24 H new ATOM 0 HB2 PRO A 29 -42.705 60.446 -25.459 1.00 30.43 H new ATOM 0 HB3 PRO A 29 -41.597 59.155 -25.879 1.00 30.43 H new ATOM 0 HG2 PRO A 29 -41.335 61.249 -23.730 1.00 13.34 H new ATOM 0 HG3 PRO A 29 -40.974 59.536 -23.647 1.00 13.34 H new ATOM 0 HD2 PRO A 29 -39.012 61.394 -23.987 1.00 2.15 H new ATOM 0 HD3 PRO A 29 -38.884 59.789 -24.680 1.00 2.15 H new ATOM 431 N ARG A 30 -41.443 63.334 -25.717 1.00 75.03 N ATOM 432 CA ARG A 30 -42.084 64.643 -25.697 1.00 70.44 C ATOM 433 C ARG A 30 -41.681 65.464 -26.918 1.00 1.03 C ATOM 434 O ARG A 30 -40.521 65.482 -27.329 1.00 1.33 O ATOM 435 CB ARG A 30 -41.716 65.395 -24.418 1.00 35.11 C ATOM 436 CG ARG A 30 -42.067 64.641 -23.146 1.00 14.23 C ATOM 437 CD ARG A 30 -43.511 64.880 -22.735 1.00 71.22 C ATOM 438 NE ARG A 30 -43.624 65.900 -21.697 1.00 30.22 N ATOM 439 CZ ARG A 30 -43.491 65.645 -20.400 1.00 53.43 C ATOM 440 NH1 ARG A 30 -43.243 64.411 -19.985 1.00 52.01 N ATOM 441 NH2 ARG A 30 -43.609 66.627 -19.514 1.00 24.30 N ATOM 0 H ARG A 30 -40.797 63.169 -24.945 1.00 75.03 H new ATOM 0 HA ARG A 30 -43.163 64.492 -25.723 1.00 70.44 H new ATOM 0 HB2 ARG A 30 -40.646 65.603 -24.424 1.00 35.11 H new ATOM 0 HB3 ARG A 30 -42.227 66.358 -24.413 1.00 35.11 H new ATOM 0 HG2 ARG A 30 -41.903 63.574 -23.298 1.00 14.23 H new ATOM 0 HG3 ARG A 30 -41.402 64.955 -22.341 1.00 14.23 H new ATOM 0 HD2 ARG A 30 -44.090 65.185 -23.607 1.00 71.22 H new ATOM 0 HD3 ARG A 30 -43.944 63.947 -22.375 1.00 71.22 H new ATOM 0 HE ARG A 30 -43.815 66.860 -21.983 1.00 30.22 H new ATOM 0 HH11 ARG A 30 -43.154 63.653 -20.662 1.00 52.01 H new ATOM 0 HH12 ARG A 30 -43.141 64.219 -18.988 1.00 52.01 H new ATOM 0 HH21 ARG A 30 -43.802 67.578 -19.829 1.00 24.30 H new ATOM 0 HH22 ARG A 30 -43.507 66.431 -18.518 1.00 24.30 H new ATOM 455 N PRO A 31 -42.660 66.163 -27.513 1.00 72.44 N ATOM 456 CA PRO A 31 -42.432 66.999 -28.695 1.00 43.01 C ATOM 457 C PRO A 31 -41.607 68.241 -28.374 1.00 71.01 C ATOM 458 O PRO A 31 -40.614 68.528 -29.040 1.00 23.10 O ATOM 459 CB PRO A 31 -43.845 67.393 -29.130 1.00 32.13 C ATOM 460 CG PRO A 31 -44.662 67.306 -27.888 1.00 11.14 C ATOM 461 CD PRO A 31 -44.066 66.188 -27.077 1.00 53.01 C ATOM 0 HA PRO A 31 -41.867 66.473 -29.464 1.00 43.01 H new ATOM 0 HB2 PRO A 31 -43.864 68.400 -29.547 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -44.224 66.722 -29.901 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -44.635 68.246 -27.336 1.00 11.14 H new ATOM 0 HG3 PRO A 31 -45.707 67.104 -28.122 1.00 11.14 H new ATOM 0 HD2 PRO A 31 -44.152 66.378 -26.007 1.00 53.01 H new ATOM 0 HD3 PRO A 31 -44.565 65.239 -27.273 1.00 53.01 H new ATOM 469 N GLY A 32 -42.027 68.976 -27.349 1.00 71.01 N ATOM 470 CA GLY A 32 -41.316 70.180 -26.958 1.00 33.34 C ATOM 471 C GLY A 32 -39.822 69.956 -26.832 1.00 31.01 C ATOM 472 O GLY A 32 -39.051 70.741 -27.381 1.00 63.33 O ATOM 0 H GLY A 32 -42.847 68.759 -26.782 1.00 71.01 H new ATOM 0 HA2 GLY A 32 -41.502 70.963 -27.693 1.00 33.34 H new ATOM 0 HA3 GLY A 32 -41.708 70.537 -26.006 1.00 33.34 H new ATOM 476 N CYS A 33 -39.443 68.903 -26.121 1.00 53.35 N ATOM 477 CA CYS A 33 -38.036 68.595 -25.935 1.00 24.23 C ATOM 478 C CYS A 33 -37.505 67.973 -27.228 1.00 1.24 C ATOM 479 O CYS A 33 -36.577 68.476 -27.861 1.00 13.33 O ATOM 480 CB CYS A 33 -37.813 67.681 -24.727 1.00 44.24 C ATOM 481 SG CYS A 33 -36.284 66.702 -24.958 1.00 3.43 S ATOM 0 H CYS A 33 -40.086 68.254 -25.668 1.00 53.35 H new ATOM 0 HA CYS A 33 -37.485 69.511 -25.722 1.00 24.23 H new ATOM 0 HB2 CYS A 33 -37.739 68.278 -23.818 1.00 44.24 H new ATOM 0 HB3 CYS A 33 -38.666 67.014 -24.602 1.00 44.24 H new ATOM 0 HG CYS A 33 -35.872 66.262 -23.806 1.00 3.43 H new ATOM 486 N GLY A 34 -38.118 66.856 -27.608 1.00 11.11 N ATOM 487 CA GLY A 34 -37.714 66.162 -28.817 1.00 14.35 C ATOM 488 C GLY A 34 -36.209 66.032 -28.935 1.00 33.23 C ATOM 489 O GLY A 34 -35.590 66.666 -29.788 1.00 63.44 O ATOM 0 H GLY A 34 -38.887 66.419 -27.100 1.00 11.11 H new ATOM 0 HA2 GLY A 34 -38.163 65.169 -28.830 1.00 14.35 H new ATOM 0 HA3 GLY A 34 -38.099 66.697 -29.685 1.00 14.35 H new ATOM 493 N ALA A 35 -35.618 65.210 -28.073 1.00 41.24 N ATOM 494 CA ALA A 35 -34.176 64.999 -28.086 1.00 71.24 C ATOM 495 C ALA A 35 -33.810 63.757 -28.891 1.00 12.03 C ATOM 496 O ALA A 35 -34.667 62.928 -29.196 1.00 5.33 O ATOM 497 CB ALA A 35 -33.647 64.884 -26.664 1.00 54.22 C ATOM 0 H ALA A 35 -36.116 64.680 -27.358 1.00 41.24 H new ATOM 0 HA ALA A 35 -33.712 65.860 -28.566 1.00 71.24 H new ATOM 0 HB1 ALA A 35 -32.569 64.727 -26.689 1.00 54.22 H new ATOM 0 HB2 ALA A 35 -33.867 65.802 -26.118 1.00 54.22 H new ATOM 0 HB3 ALA A 35 -34.125 64.041 -26.165 1.00 54.22 H new ATOM 503 N GLY A 36 -32.530 63.633 -29.231 1.00 40.11 N ATOM 504 CA GLY A 36 -32.073 62.489 -29.997 1.00 64.13 C ATOM 505 C GLY A 36 -30.644 62.106 -29.673 1.00 3.43 C ATOM 506 O GLY A 36 -30.042 61.280 -30.360 1.00 34.33 O ATOM 0 H GLY A 36 -31.802 64.305 -28.989 1.00 40.11 H new ATOM 0 HA2 GLY A 36 -32.727 61.639 -29.800 1.00 64.13 H new ATOM 0 HA3 GLY A 36 -32.153 62.713 -31.061 1.00 64.13 H new ATOM 510 N LEU A 37 -30.095 62.710 -28.624 1.00 10.14 N ATOM 511 CA LEU A 37 -28.725 62.429 -28.210 1.00 22.25 C ATOM 512 C LEU A 37 -28.562 60.963 -27.823 1.00 24.01 C ATOM 513 O LEU A 37 -29.143 60.500 -26.840 1.00 52.13 O ATOM 514 CB LEU A 37 -28.333 63.324 -27.033 1.00 14.54 C ATOM 515 CG LEU A 37 -29.349 63.417 -25.892 1.00 2.22 C ATOM 516 CD1 LEU A 37 -28.753 62.874 -24.602 1.00 24.13 C ATOM 517 CD2 LEU A 37 -29.812 64.854 -25.705 1.00 71.23 C ATOM 0 H LEU A 37 -30.578 63.397 -28.045 1.00 10.14 H new ATOM 0 HA LEU A 37 -28.067 62.639 -29.054 1.00 22.25 H new ATOM 0 HB2 LEU A 37 -27.390 62.961 -26.624 1.00 14.54 H new ATOM 0 HB3 LEU A 37 -28.150 64.329 -27.412 1.00 14.54 H new ATOM 0 HG LEU A 37 -30.216 62.809 -26.152 1.00 2.22 H new ATOM 0 HD11 LEU A 37 -29.489 62.948 -23.802 1.00 24.13 H new ATOM 0 HD12 LEU A 37 -28.473 61.830 -24.742 1.00 24.13 H new ATOM 0 HD13 LEU A 37 -27.869 63.454 -24.337 1.00 24.13 H new ATOM 0 HD21 LEU A 37 -30.534 64.900 -24.890 1.00 71.23 H new ATOM 0 HD22 LEU A 37 -28.955 65.484 -25.467 1.00 71.23 H new ATOM 0 HD23 LEU A 37 -30.279 65.208 -26.624 1.00 71.23 H new ATOM 529 N LEU A 38 -27.766 60.237 -28.599 1.00 62.23 N ATOM 530 CA LEU A 38 -27.524 58.822 -28.339 1.00 23.24 C ATOM 531 C LEU A 38 -26.975 58.614 -26.930 1.00 53.52 C ATOM 532 O LEU A 38 -25.936 59.158 -26.556 1.00 31.25 O ATOM 533 CB LEU A 38 -26.546 58.253 -29.368 1.00 2.14 C ATOM 534 CG LEU A 38 -26.880 56.865 -29.915 1.00 62.32 C ATOM 535 CD1 LEU A 38 -26.228 56.656 -31.273 1.00 62.33 C ATOM 536 CD2 LEU A 38 -26.439 55.785 -28.938 1.00 5.15 C ATOM 0 H LEU A 38 -27.276 60.605 -29.415 1.00 62.23 H new ATOM 0 HA LEU A 38 -28.475 58.295 -28.421 1.00 23.24 H new ATOM 0 HB2 LEU A 38 -26.487 58.947 -30.206 1.00 2.14 H new ATOM 0 HB3 LEU A 38 -25.555 58.214 -28.915 1.00 2.14 H new ATOM 0 HG LEU A 38 -27.961 56.795 -30.038 1.00 62.32 H new ATOM 0 HD11 LEU A 38 -26.477 55.663 -31.647 1.00 62.33 H new ATOM 0 HD12 LEU A 38 -26.593 57.409 -31.972 1.00 62.33 H new ATOM 0 HD13 LEU A 38 -25.146 56.747 -31.175 1.00 62.33 H new ATOM 0 HD21 LEU A 38 -26.685 54.804 -29.345 1.00 5.15 H new ATOM 0 HD22 LEU A 38 -25.362 55.853 -28.782 1.00 5.15 H new ATOM 0 HD23 LEU A 38 -26.953 55.923 -27.987 1.00 5.15 H new ATOM 548 N PRO A 39 -27.690 57.809 -26.131 1.00 13.14 N ATOM 549 CA PRO A 39 -27.293 57.509 -24.752 1.00 52.10 C ATOM 550 C PRO A 39 -26.046 56.632 -24.684 1.00 55.51 C ATOM 551 O PRO A 39 -25.760 55.876 -25.610 1.00 63.13 O ATOM 552 CB PRO A 39 -28.504 56.759 -24.188 1.00 10.11 C ATOM 553 CG PRO A 39 -29.166 56.162 -25.381 1.00 64.13 C ATOM 554 CD PRO A 39 -28.939 57.128 -26.510 1.00 12.51 C ATOM 0 HA PRO A 39 -27.037 58.412 -24.198 1.00 52.10 H new ATOM 0 HB2 PRO A 39 -28.199 55.990 -23.478 1.00 10.11 H new ATOM 0 HB3 PRO A 39 -29.176 57.434 -23.658 1.00 10.11 H new ATOM 0 HG2 PRO A 39 -28.743 55.185 -25.613 1.00 64.13 H new ATOM 0 HG3 PRO A 39 -30.231 56.014 -25.203 1.00 64.13 H new ATOM 0 HD2 PRO A 39 -28.842 56.613 -27.466 1.00 12.51 H new ATOM 0 HD3 PRO A 39 -29.766 57.831 -26.609 1.00 12.51 H new ATOM 562 N GLU A 40 -25.310 56.743 -23.583 1.00 32.24 N ATOM 563 CA GLU A 40 -24.094 55.960 -23.398 1.00 2.31 C ATOM 564 C GLU A 40 -24.369 54.472 -23.590 1.00 33.24 C ATOM 565 O GLU A 40 -25.517 54.033 -23.679 1.00 14.35 O ATOM 566 CB GLU A 40 -23.510 56.207 -22.004 1.00 4.33 C ATOM 567 CG GLU A 40 -22.250 57.057 -22.013 1.00 74.25 C ATOM 568 CD GLU A 40 -21.472 56.961 -20.716 1.00 70.31 C ATOM 569 OE1 GLU A 40 -22.102 57.037 -19.640 1.00 0.12 O ATOM 570 OE2 GLU A 40 -20.235 56.809 -20.776 1.00 22.52 O ATOM 0 H GLU A 40 -25.534 57.366 -22.807 1.00 32.24 H new ATOM 0 HA GLU A 40 -23.371 56.277 -24.149 1.00 2.31 H new ATOM 0 HB2 GLU A 40 -24.263 56.695 -21.385 1.00 4.33 H new ATOM 0 HB3 GLU A 40 -23.287 55.247 -21.537 1.00 4.33 H new ATOM 0 HG2 GLU A 40 -21.611 56.744 -22.839 1.00 74.25 H new ATOM 0 HG3 GLU A 40 -22.520 58.097 -22.194 1.00 74.25 H new ATOM 577 N PRO A 41 -23.293 53.675 -23.656 1.00 30.24 N ATOM 578 CA PRO A 41 -23.392 52.224 -23.837 1.00 73.40 C ATOM 579 C PRO A 41 -23.958 51.522 -22.606 1.00 70.23 C ATOM 580 O PRO A 41 -23.997 50.294 -22.543 1.00 72.44 O ATOM 581 CB PRO A 41 -21.942 51.795 -24.077 1.00 51.02 C ATOM 582 CG PRO A 41 -21.122 52.847 -23.412 1.00 20.11 C ATOM 583 CD PRO A 41 -21.895 54.128 -23.557 1.00 33.21 C ATOM 0 HA PRO A 41 -24.069 51.961 -24.650 1.00 73.40 H new ATOM 0 HB2 PRO A 41 -21.744 50.811 -23.652 1.00 51.02 H new ATOM 0 HB3 PRO A 41 -21.718 51.733 -25.142 1.00 51.02 H new ATOM 0 HG2 PRO A 41 -20.957 52.607 -22.361 1.00 20.11 H new ATOM 0 HG3 PRO A 41 -20.140 52.929 -23.878 1.00 20.11 H new ATOM 0 HD2 PRO A 41 -21.746 54.786 -22.701 1.00 33.21 H new ATOM 0 HD3 PRO A 41 -21.589 54.684 -24.443 1.00 33.21 H new ATOM 591 N ASP A 42 -24.396 52.311 -21.631 1.00 61.34 N ATOM 592 CA ASP A 42 -24.961 51.766 -20.402 1.00 70.13 C ATOM 593 C ASP A 42 -26.133 52.615 -19.919 1.00 1.34 C ATOM 594 O ASP A 42 -25.951 53.765 -19.521 1.00 55.44 O ATOM 595 CB ASP A 42 -23.890 51.683 -19.315 1.00 53.50 C ATOM 596 CG ASP A 42 -23.156 50.357 -19.324 1.00 32.25 C ATOM 597 OD1 ASP A 42 -23.823 49.313 -19.475 1.00 43.14 O ATOM 598 OD2 ASP A 42 -21.916 50.364 -19.175 1.00 1.41 O ATOM 0 H ASP A 42 -24.371 53.330 -21.668 1.00 61.34 H new ATOM 0 HA ASP A 42 -25.328 50.762 -20.614 1.00 70.13 H new ATOM 0 HB2 ASP A 42 -23.173 52.492 -19.453 1.00 53.50 H new ATOM 0 HB3 ASP A 42 -24.354 51.831 -18.340 1.00 53.50 H new ATOM 603 N GLN A 43 -27.330 52.041 -19.957 1.00 41.40 N ATOM 604 CA GLN A 43 -28.529 52.748 -19.524 1.00 73.02 C ATOM 605 C GLN A 43 -28.431 53.137 -18.052 1.00 70.31 C ATOM 606 O GLN A 43 -29.276 53.867 -17.535 1.00 23.01 O ATOM 607 CB GLN A 43 -29.769 51.880 -19.753 1.00 11.34 C ATOM 608 CG GLN A 43 -30.018 50.872 -18.643 1.00 25.20 C ATOM 609 CD GLN A 43 -29.041 49.713 -18.679 1.00 60.53 C ATOM 610 OE1 GLN A 43 -29.251 48.731 -19.391 1.00 40.14 O ATOM 611 NE2 GLN A 43 -27.966 49.820 -17.908 1.00 44.34 N ATOM 0 H GLN A 43 -27.496 51.089 -20.283 1.00 41.40 H new ATOM 0 HA GLN A 43 -28.617 53.659 -20.116 1.00 73.02 H new ATOM 0 HB2 GLN A 43 -30.642 52.526 -19.849 1.00 11.34 H new ATOM 0 HB3 GLN A 43 -29.661 51.348 -20.698 1.00 11.34 H new ATOM 0 HG2 GLN A 43 -29.945 51.374 -17.678 1.00 25.20 H new ATOM 0 HG3 GLN A 43 -31.035 50.488 -18.727 1.00 25.20 H new ATOM 0 HE21 GLN A 43 -27.831 50.652 -17.333 1.00 44.34 H new ATOM 0 HE22 GLN A 43 -27.275 49.070 -17.890 1.00 44.34 H new ATOM 620 N ARG A 44 -27.393 52.644 -17.384 1.00 12.24 N ATOM 621 CA ARG A 44 -27.187 52.938 -15.971 1.00 2.30 C ATOM 622 C ARG A 44 -27.690 54.337 -15.627 1.00 62.42 C ATOM 623 O ARG A 44 -28.429 54.522 -14.661 1.00 73.11 O ATOM 624 CB ARG A 44 -25.703 52.817 -15.616 1.00 14.13 C ATOM 625 CG ARG A 44 -25.429 51.876 -14.455 1.00 1.05 C ATOM 626 CD ARG A 44 -25.533 50.419 -14.882 1.00 41.50 C ATOM 627 NE ARG A 44 -26.251 49.611 -13.901 1.00 51.00 N ATOM 628 CZ ARG A 44 -26.878 48.478 -14.200 1.00 11.25 C ATOM 629 NH1 ARG A 44 -26.874 48.023 -15.444 1.00 63.01 N ATOM 630 NH2 ARG A 44 -27.511 47.800 -13.252 1.00 23.44 N ATOM 0 H ARG A 44 -26.683 52.040 -17.798 1.00 12.24 H new ATOM 0 HA ARG A 44 -27.755 52.213 -15.388 1.00 2.30 H new ATOM 0 HB2 ARG A 44 -25.156 52.468 -16.492 1.00 14.13 H new ATOM 0 HB3 ARG A 44 -25.315 53.806 -15.371 1.00 14.13 H new ATOM 0 HG2 ARG A 44 -24.433 52.069 -14.056 1.00 1.05 H new ATOM 0 HG3 ARG A 44 -26.138 52.072 -13.651 1.00 1.05 H new ATOM 0 HD2 ARG A 44 -26.042 50.359 -15.844 1.00 41.50 H new ATOM 0 HD3 ARG A 44 -24.532 50.011 -15.025 1.00 41.50 H new ATOM 0 HE ARG A 44 -26.273 49.933 -12.934 1.00 51.00 H new ATOM 0 HH11 ARG A 44 -26.389 48.543 -16.175 1.00 63.01 H new ATOM 0 HH12 ARG A 44 -27.356 47.153 -15.670 1.00 63.01 H new ATOM 0 HH21 ARG A 44 -27.517 48.148 -12.293 1.00 23.44 H new ATOM 0 HH22 ARG A 44 -27.992 46.930 -13.482 1.00 23.44 H new ATOM 644 N LYS A 45 -27.285 55.318 -16.426 1.00 2.45 N ATOM 645 CA LYS A 45 -27.695 56.702 -16.208 1.00 24.52 C ATOM 646 C LYS A 45 -27.571 57.513 -17.492 1.00 55.44 C ATOM 647 O LYS A 45 -26.469 57.845 -17.927 1.00 52.31 O ATOM 648 CB LYS A 45 -26.846 57.338 -15.106 1.00 23.04 C ATOM 649 CG LYS A 45 -27.614 58.318 -14.236 1.00 54.14 C ATOM 650 CD LYS A 45 -27.252 58.165 -12.768 1.00 73.45 C ATOM 651 CE LYS A 45 -27.838 59.290 -11.928 1.00 64.44 C ATOM 652 NZ LYS A 45 -27.905 58.928 -10.485 1.00 42.41 N ATOM 0 H LYS A 45 -26.673 55.181 -17.231 1.00 2.45 H new ATOM 0 HA LYS A 45 -28.740 56.702 -15.899 1.00 24.52 H new ATOM 0 HB2 LYS A 45 -26.435 56.550 -14.475 1.00 23.04 H new ATOM 0 HB3 LYS A 45 -26.001 57.854 -15.562 1.00 23.04 H new ATOM 0 HG2 LYS A 45 -27.401 59.337 -14.560 1.00 54.14 H new ATOM 0 HG3 LYS A 45 -28.685 58.159 -14.366 1.00 54.14 H new ATOM 0 HD2 LYS A 45 -27.618 57.206 -12.400 1.00 73.45 H new ATOM 0 HD3 LYS A 45 -26.168 58.155 -12.659 1.00 73.45 H new ATOM 0 HE2 LYS A 45 -27.232 60.188 -12.049 1.00 64.44 H new ATOM 0 HE3 LYS A 45 -28.838 59.530 -12.289 1.00 64.44 H new ATOM 0 HZ1 LYS A 45 -28.310 59.720 -9.947 1.00 42.41 H new ATOM 0 HZ2 LYS A 45 -28.504 58.086 -10.366 1.00 42.41 H new ATOM 0 HZ3 LYS A 45 -26.948 58.724 -10.133 1.00 42.41 H new ATOM 666 N VAL A 46 -28.712 57.833 -18.096 1.00 21.41 N ATOM 667 CA VAL A 46 -28.733 58.608 -19.330 1.00 43.22 C ATOM 668 C VAL A 46 -29.433 59.947 -19.126 1.00 61.40 C ATOM 669 O VAL A 46 -30.650 60.005 -18.949 1.00 24.33 O ATOM 670 CB VAL A 46 -29.438 57.841 -20.464 1.00 62.15 C ATOM 671 CG1 VAL A 46 -30.020 58.809 -21.482 1.00 51.52 C ATOM 672 CG2 VAL A 46 -28.473 56.871 -21.130 1.00 72.24 C ATOM 0 H VAL A 46 -29.634 57.567 -17.750 1.00 21.41 H new ATOM 0 HA VAL A 46 -27.694 58.783 -19.611 1.00 43.22 H new ATOM 0 HB VAL A 46 -30.258 57.266 -20.035 1.00 62.15 H new ATOM 0 HG11 VAL A 46 -30.514 58.249 -22.276 1.00 51.52 H new ATOM 0 HG12 VAL A 46 -30.744 59.460 -20.992 1.00 51.52 H new ATOM 0 HG13 VAL A 46 -29.219 59.413 -21.909 1.00 51.52 H new ATOM 0 HG21 VAL A 46 -28.987 56.337 -21.929 1.00 72.24 H new ATOM 0 HG22 VAL A 46 -27.631 57.424 -21.546 1.00 72.24 H new ATOM 0 HG23 VAL A 46 -28.109 56.156 -20.392 1.00 72.24 H new ATOM 682 N THR A 47 -28.655 61.026 -19.151 1.00 1.23 N ATOM 683 CA THR A 47 -29.199 62.365 -18.967 1.00 62.23 C ATOM 684 C THR A 47 -29.607 62.980 -20.302 1.00 1.31 C ATOM 685 O THR A 47 -28.772 63.073 -21.201 1.00 51.25 O ATOM 686 CB THR A 47 -28.184 63.294 -18.275 1.00 52.05 C ATOM 687 OG1 THR A 47 -27.448 62.565 -17.288 1.00 25.34 O ATOM 688 CG2 THR A 47 -28.890 64.473 -17.622 1.00 60.42 C ATOM 0 H THR A 47 -27.646 60.997 -19.297 1.00 1.23 H new ATOM 0 HA THR A 47 -30.079 62.265 -18.332 1.00 62.23 H new ATOM 0 HB THR A 47 -27.497 63.675 -19.031 1.00 52.05 H new ATOM 0 HG1 THR A 47 -26.803 63.162 -16.854 1.00 25.34 H new ATOM 0 HG21 THR A 47 -28.154 65.116 -17.139 1.00 60.42 H new ATOM 0 HG22 THR A 47 -29.426 65.042 -18.381 1.00 60.42 H new ATOM 0 HG23 THR A 47 -29.596 64.107 -16.877 1.00 60.42 H new ATOM 696 N CYS A 48 -30.865 63.383 -20.402 1.00 31.03 N ATOM 697 CA CYS A 48 -31.363 63.985 -21.626 1.00 63.12 C ATOM 698 C CYS A 48 -30.617 65.302 -21.854 1.00 22.35 C ATOM 699 O CYS A 48 -30.577 65.846 -22.956 1.00 24.54 O ATOM 700 CB CYS A 48 -32.880 64.191 -21.579 1.00 61.32 C ATOM 701 SG CYS A 48 -33.467 64.883 -23.168 1.00 1.14 S ATOM 0 H CYS A 48 -31.554 63.304 -19.654 1.00 31.03 H new ATOM 0 HA CYS A 48 -31.178 63.314 -22.464 1.00 63.12 H new ATOM 0 HB2 CYS A 48 -33.378 63.242 -21.380 1.00 61.32 H new ATOM 0 HB3 CYS A 48 -33.139 64.864 -20.762 1.00 61.32 H new ATOM 0 HG CYS A 48 -32.510 65.564 -23.725 1.00 1.14 H new ATOM 706 N GLU A 49 -30.022 65.803 -20.775 1.00 24.34 N ATOM 707 CA GLU A 49 -29.271 67.051 -20.830 1.00 64.44 C ATOM 708 C GLU A 49 -27.966 66.869 -21.603 1.00 40.22 C ATOM 709 O GLU A 49 -27.716 67.557 -22.591 1.00 50.44 O ATOM 710 CB GLU A 49 -28.971 67.555 -19.416 1.00 73.31 C ATOM 711 CG GLU A 49 -30.184 67.550 -18.500 1.00 71.43 C ATOM 712 CD GLU A 49 -30.472 68.914 -17.906 1.00 71.20 C ATOM 713 OE1 GLU A 49 -29.560 69.494 -17.280 1.00 33.44 O ATOM 714 OE2 GLU A 49 -31.610 69.403 -18.068 1.00 32.31 O ATOM 0 H GLU A 49 -30.046 65.364 -19.855 1.00 24.34 H new ATOM 0 HA GLU A 49 -29.882 67.789 -21.350 1.00 64.44 H new ATOM 0 HB2 GLU A 49 -28.191 66.934 -18.976 1.00 73.31 H new ATOM 0 HB3 GLU A 49 -28.576 68.569 -19.477 1.00 73.31 H new ATOM 0 HG2 GLU A 49 -31.056 67.210 -19.059 1.00 71.43 H new ATOM 0 HG3 GLU A 49 -30.023 66.834 -17.694 1.00 71.43 H new ATOM 775 N GLY A 55 -32.418 69.659 -21.994 1.00 11.42 N ATOM 776 CA GLY A 55 -32.189 69.350 -20.595 1.00 75.31 C ATOM 777 C GLY A 55 -33.478 69.070 -19.844 1.00 41.43 C ATOM 778 O GLY A 55 -33.999 69.974 -19.193 1.00 13.24 O ATOM 0 HA2 GLY A 55 -31.533 68.483 -20.520 1.00 75.31 H new ATOM 0 HA3 GLY A 55 -31.670 70.184 -20.122 1.00 75.31 H new ATOM 782 N CYS A 56 -33.963 67.842 -19.946 1.00 44.54 N ATOM 783 CA CYS A 56 -35.192 67.465 -19.271 1.00 31.50 C ATOM 784 C CYS A 56 -34.943 67.508 -17.762 1.00 1.02 C ATOM 785 O CYS A 56 -35.735 68.039 -16.984 1.00 63.24 O ATOM 786 CB CYS A 56 -35.691 66.092 -19.728 1.00 53.24 C ATOM 787 SG CYS A 56 -36.481 66.230 -21.373 1.00 63.31 S ATOM 0 H CYS A 56 -33.527 67.095 -20.486 1.00 44.54 H new ATOM 0 HA CYS A 56 -35.982 68.170 -19.529 1.00 31.50 H new ATOM 0 HB2 CYS A 56 -34.859 65.390 -19.773 1.00 53.24 H new ATOM 0 HB3 CYS A 56 -36.404 65.696 -19.005 1.00 53.24 H new ATOM 0 HG CYS A 56 -36.497 65.063 -21.946 1.00 63.31 H new ATOM 792 N GLY A 57 -33.814 66.930 -17.362 1.00 32.30 N ATOM 793 CA GLY A 57 -33.454 66.899 -15.956 1.00 53.21 C ATOM 794 C GLY A 57 -33.733 65.553 -15.316 1.00 5.32 C ATOM 795 O GLY A 57 -33.335 65.305 -14.178 1.00 10.33 O ATOM 0 H GLY A 57 -33.143 66.483 -17.986 1.00 32.30 H new ATOM 0 HA2 GLY A 57 -32.395 67.136 -15.850 1.00 53.21 H new ATOM 0 HA3 GLY A 57 -34.009 67.672 -15.425 1.00 53.21 H new ATOM 799 N PHE A 58 -34.420 64.682 -16.048 1.00 44.53 N ATOM 800 CA PHE A 58 -34.754 63.356 -15.544 1.00 54.01 C ATOM 801 C PHE A 58 -34.186 62.271 -16.451 1.00 25.51 C ATOM 802 O PHE A 58 -34.679 62.049 -17.557 1.00 64.32 O ATOM 803 CB PHE A 58 -36.273 63.198 -15.430 1.00 22.30 C ATOM 804 CG PHE A 58 -36.697 61.870 -14.871 1.00 22.31 C ATOM 805 CD1 PHE A 58 -36.680 60.733 -15.662 1.00 70.34 C ATOM 806 CD2 PHE A 58 -37.113 61.760 -13.554 1.00 23.15 C ATOM 807 CE1 PHE A 58 -37.070 59.509 -15.151 1.00 34.03 C ATOM 808 CE2 PHE A 58 -37.502 60.539 -13.036 1.00 10.14 C ATOM 809 CZ PHE A 58 -37.482 59.412 -13.836 1.00 21.52 C ATOM 0 H PHE A 58 -34.756 64.871 -16.992 1.00 44.53 H new ATOM 0 HA PHE A 58 -34.309 63.248 -14.555 1.00 54.01 H new ATOM 0 HB2 PHE A 58 -36.666 63.992 -14.796 1.00 22.30 H new ATOM 0 HB3 PHE A 58 -36.719 63.327 -16.416 1.00 22.30 H new ATOM 0 HD1 PHE A 58 -36.358 60.804 -16.691 1.00 70.34 H new ATOM 0 HD2 PHE A 58 -37.134 62.638 -12.925 1.00 23.15 H new ATOM 0 HE1 PHE A 58 -37.053 58.630 -15.779 1.00 34.03 H new ATOM 0 HE2 PHE A 58 -37.821 60.466 -12.007 1.00 10.14 H new ATOM 0 HZ PHE A 58 -37.788 58.457 -13.434 1.00 21.52 H new ATOM 819 N ALA A 59 -33.144 61.595 -15.976 1.00 3.44 N ATOM 820 CA ALA A 59 -32.508 60.532 -16.743 1.00 24.41 C ATOM 821 C ALA A 59 -33.510 59.440 -17.104 1.00 11.54 C ATOM 822 O ALA A 59 -34.469 59.198 -16.372 1.00 51.33 O ATOM 823 CB ALA A 59 -31.341 59.942 -15.961 1.00 51.34 C ATOM 0 H ALA A 59 -32.723 61.766 -15.063 1.00 3.44 H new ATOM 0 HA ALA A 59 -32.130 60.963 -17.670 1.00 24.41 H new ATOM 0 HB1 ALA A 59 -30.875 59.149 -16.546 1.00 51.34 H new ATOM 0 HB2 ALA A 59 -30.607 60.722 -15.758 1.00 51.34 H new ATOM 0 HB3 ALA A 59 -31.705 59.532 -15.019 1.00 51.34 H new ATOM 829 N PHE A 60 -33.281 58.786 -18.238 1.00 23.32 N ATOM 830 CA PHE A 60 -34.165 57.721 -18.697 1.00 54.42 C ATOM 831 C PHE A 60 -33.379 56.446 -18.982 1.00 64.33 C ATOM 832 O PHE A 60 -32.159 56.441 -18.826 1.00 44.44 O ATOM 833 CB PHE A 60 -34.919 58.161 -19.953 1.00 63.13 C ATOM 834 CG PHE A 60 -34.040 58.817 -20.980 1.00 54.43 C ATOM 835 CD1 PHE A 60 -33.468 60.055 -20.734 1.00 14.41 C ATOM 836 CD2 PHE A 60 -33.787 58.196 -22.192 1.00 43.32 C ATOM 837 CE1 PHE A 60 -32.659 60.661 -21.676 1.00 72.12 C ATOM 838 CE2 PHE A 60 -32.977 58.797 -23.138 1.00 50.04 C ATOM 839 CZ PHE A 60 -32.414 60.031 -22.880 1.00 2.34 C ATOM 0 H PHE A 60 -32.491 58.975 -18.856 1.00 23.32 H new ATOM 0 HA PHE A 60 -34.884 57.513 -17.904 1.00 54.42 H new ATOM 0 HB2 PHE A 60 -35.401 57.292 -20.401 1.00 63.13 H new ATOM 0 HB3 PHE A 60 -35.711 58.854 -19.668 1.00 63.13 H new ATOM 0 HD1 PHE A 60 -33.657 60.552 -19.794 1.00 14.41 H new ATOM 0 HD2 PHE A 60 -34.227 57.232 -22.400 1.00 43.32 H new ATOM 0 HE1 PHE A 60 -32.219 61.626 -21.471 1.00 72.12 H new ATOM 0 HE2 PHE A 60 -32.785 58.301 -24.078 1.00 50.04 H new ATOM 0 HZ PHE A 60 -31.783 60.503 -23.619 1.00 2.34 H new ATOM 849 N CYS A 61 -34.085 55.402 -19.391 1.00 30.34 N ATOM 850 CA CYS A 61 -33.443 54.134 -19.693 1.00 41.13 C ATOM 851 C CYS A 61 -33.345 53.996 -21.213 1.00 64.42 C ATOM 852 O CYS A 61 -34.345 53.926 -21.928 1.00 3.50 O ATOM 853 CB CYS A 61 -34.189 52.957 -19.059 1.00 5.02 C ATOM 854 SG CYS A 61 -33.470 51.377 -19.640 1.00 54.02 S ATOM 0 H CYS A 61 -35.097 55.409 -19.520 1.00 30.34 H new ATOM 0 HA CYS A 61 -32.442 54.118 -19.263 1.00 41.13 H new ATOM 0 HB2 CYS A 61 -34.125 53.018 -17.973 1.00 5.02 H new ATOM 0 HB3 CYS A 61 -35.246 53.003 -19.319 1.00 5.02 H new ATOM 0 HG CYS A 61 -33.414 50.536 -18.651 1.00 54.02 H new ATOM 859 N ARG A 62 -32.106 53.955 -21.695 1.00 34.23 N ATOM 860 CA ARG A 62 -31.845 53.826 -23.123 1.00 73.55 C ATOM 861 C ARG A 62 -32.263 52.449 -23.630 1.00 32.23 C ATOM 862 O ARG A 62 -32.546 52.272 -24.814 1.00 32.12 O ATOM 863 CB ARG A 62 -30.363 54.061 -23.416 1.00 71.11 C ATOM 864 CG ARG A 62 -29.458 52.951 -22.908 1.00 32.13 C ATOM 865 CD ARG A 62 -28.042 53.095 -23.445 1.00 35.44 C ATOM 866 NE ARG A 62 -27.190 51.977 -23.048 1.00 40.22 N ATOM 867 CZ ARG A 62 -27.142 50.822 -23.702 1.00 60.35 C ATOM 868 NH1 ARG A 62 -27.893 50.634 -24.779 1.00 72.52 N ATOM 869 NH2 ARG A 62 -26.341 49.851 -23.280 1.00 15.13 N ATOM 0 H ARG A 62 -31.268 54.009 -21.116 1.00 34.23 H new ATOM 0 HA ARG A 62 -32.435 54.580 -23.644 1.00 73.55 H new ATOM 0 HB2 ARG A 62 -30.226 54.166 -24.492 1.00 71.11 H new ATOM 0 HB3 ARG A 62 -30.057 55.004 -22.963 1.00 71.11 H new ATOM 0 HG2 ARG A 62 -29.438 52.967 -21.818 1.00 32.13 H new ATOM 0 HG3 ARG A 62 -29.864 51.984 -23.206 1.00 32.13 H new ATOM 0 HD2 ARG A 62 -28.072 53.160 -24.533 1.00 35.44 H new ATOM 0 HD3 ARG A 62 -27.610 54.027 -23.082 1.00 35.44 H new ATOM 0 HE ARG A 62 -26.600 52.089 -22.224 1.00 40.22 H new ATOM 0 HH11 ARG A 62 -28.509 51.377 -25.107 1.00 72.52 H new ATOM 0 HH12 ARG A 62 -27.854 49.746 -25.279 1.00 72.52 H new ATOM 0 HH21 ARG A 62 -25.761 49.991 -22.452 1.00 15.13 H new ATOM 0 HH22 ARG A 62 -26.305 48.965 -23.783 1.00 15.13 H new ATOM 883 N GLU A 63 -32.299 51.476 -22.725 1.00 70.10 N ATOM 884 CA GLU A 63 -32.680 50.114 -23.081 1.00 52.01 C ATOM 885 C GLU A 63 -34.122 50.066 -23.578 1.00 74.15 C ATOM 886 O GLU A 63 -34.389 49.426 -24.594 1.00 23.13 O ATOM 887 CB GLU A 63 -32.513 49.183 -21.879 1.00 63.43 C ATOM 888 CG GLU A 63 -32.201 47.746 -22.262 1.00 52.34 C ATOM 889 CD GLU A 63 -30.945 47.625 -23.102 1.00 4.24 C ATOM 890 OE1 GLU A 63 -29.912 48.209 -22.711 1.00 13.52 O ATOM 891 OE2 GLU A 63 -30.992 46.947 -24.149 1.00 54.04 O ATOM 0 H GLU A 63 -32.069 51.606 -21.740 1.00 70.10 H new ATOM 0 HA GLU A 63 -32.024 49.779 -23.885 1.00 52.01 H new ATOM 0 HB2 GLU A 63 -31.713 49.563 -21.244 1.00 63.43 H new ATOM 0 HB3 GLU A 63 -33.427 49.202 -21.285 1.00 63.43 H new ATOM 0 HG2 GLU A 63 -32.087 47.149 -21.357 1.00 52.34 H new ATOM 0 HG3 GLU A 63 -33.044 47.330 -22.814 1.00 52.34 H new ATOM 898 N CYS A 64 -35.011 50.737 -22.859 1.00 73.13 N ATOM 899 CA CYS A 64 -36.414 50.761 -23.237 1.00 50.01 C ATOM 900 C CYS A 64 -36.780 52.193 -23.634 1.00 5.31 C ATOM 901 O CYS A 64 -37.938 52.526 -23.887 1.00 22.05 O ATOM 902 CB CYS A 64 -37.311 50.234 -22.115 1.00 64.42 C ATOM 903 SG CYS A 64 -36.932 51.103 -20.550 1.00 70.44 S ATOM 0 H CYS A 64 -34.787 51.268 -22.017 1.00 73.13 H new ATOM 0 HA CYS A 64 -36.576 50.096 -24.086 1.00 50.01 H new ATOM 0 HB2 CYS A 64 -38.359 50.380 -22.377 1.00 64.42 H new ATOM 0 HB3 CYS A 64 -37.160 49.162 -21.991 1.00 64.42 H new ATOM 0 HG CYS A 64 -35.651 51.062 -20.330 1.00 70.44 H new ATOM 908 N LYS A 65 -35.756 53.041 -23.685 1.00 32.51 N ATOM 909 CA LYS A 65 -35.939 54.440 -24.049 1.00 55.34 C ATOM 910 C LYS A 65 -37.154 55.033 -23.339 1.00 3.23 C ATOM 911 O LYS A 65 -37.827 55.912 -23.875 1.00 13.41 O ATOM 912 CB LYS A 65 -36.104 54.577 -25.564 1.00 15.11 C ATOM 913 CG LYS A 65 -36.845 53.416 -26.203 1.00 53.02 C ATOM 914 CD LYS A 65 -36.831 53.512 -27.720 1.00 31.25 C ATOM 915 CE LYS A 65 -37.945 54.412 -28.231 1.00 23.20 C ATOM 916 NZ LYS A 65 -37.421 55.715 -28.728 1.00 1.12 N ATOM 0 H LYS A 65 -34.791 52.782 -23.478 1.00 32.51 H new ATOM 0 HA LYS A 65 -35.052 54.990 -23.735 1.00 55.34 H new ATOM 0 HB2 LYS A 65 -36.639 55.502 -25.780 1.00 15.11 H new ATOM 0 HB3 LYS A 65 -35.119 54.664 -26.022 1.00 15.11 H new ATOM 0 HG2 LYS A 65 -36.388 52.476 -25.893 1.00 53.02 H new ATOM 0 HG3 LYS A 65 -37.875 53.401 -25.848 1.00 53.02 H new ATOM 0 HD2 LYS A 65 -35.868 53.899 -28.052 1.00 31.25 H new ATOM 0 HD3 LYS A 65 -36.940 52.516 -28.150 1.00 31.25 H new ATOM 0 HE2 LYS A 65 -38.481 53.906 -29.034 1.00 23.20 H new ATOM 0 HE3 LYS A 65 -38.663 54.591 -27.431 1.00 23.20 H new ATOM 0 HZ1 LYS A 65 -38.211 56.300 -29.068 1.00 1.12 H new ATOM 0 HZ2 LYS A 65 -36.931 56.210 -27.955 1.00 1.12 H new ATOM 0 HZ3 LYS A 65 -36.755 55.546 -29.508 1.00 1.12 H new ATOM 930 N GLU A 66 -37.423 54.546 -22.133 1.00 74.32 N ATOM 931 CA GLU A 66 -38.557 55.028 -21.352 1.00 4.32 C ATOM 932 C GLU A 66 -38.098 55.540 -19.989 1.00 13.20 C ATOM 933 O GLU A 66 -36.915 55.474 -19.655 1.00 61.23 O ATOM 934 CB GLU A 66 -39.590 53.916 -21.168 1.00 71.14 C ATOM 935 CG GLU A 66 -40.737 53.980 -22.165 1.00 4.23 C ATOM 936 CD GLU A 66 -41.196 52.608 -22.615 1.00 60.31 C ATOM 937 OE1 GLU A 66 -41.733 51.857 -21.773 1.00 53.11 O ATOM 938 OE2 GLU A 66 -41.020 52.284 -23.807 1.00 45.45 O ATOM 0 H GLU A 66 -36.873 53.819 -21.675 1.00 74.32 H new ATOM 0 HA GLU A 66 -39.016 55.852 -21.897 1.00 4.32 H new ATOM 0 HB2 GLU A 66 -39.093 52.950 -21.260 1.00 71.14 H new ATOM 0 HB3 GLU A 66 -39.995 53.971 -20.157 1.00 71.14 H new ATOM 0 HG2 GLU A 66 -41.576 54.510 -21.714 1.00 4.23 H new ATOM 0 HG3 GLU A 66 -40.425 54.558 -23.035 1.00 4.23 H new ATOM 945 N ALA A 67 -39.044 56.050 -19.206 1.00 42.42 N ATOM 946 CA ALA A 67 -38.739 56.573 -17.880 1.00 4.20 C ATOM 947 C ALA A 67 -37.980 55.545 -17.047 1.00 3.02 C ATOM 948 O ALA A 67 -38.368 54.378 -16.980 1.00 3.22 O ATOM 949 CB ALA A 67 -40.017 56.990 -17.170 1.00 55.04 C ATOM 0 H ALA A 67 -40.028 56.112 -19.468 1.00 42.42 H new ATOM 0 HA ALA A 67 -38.101 57.449 -17.999 1.00 4.20 H new ATOM 0 HB1 ALA A 67 -39.774 57.379 -16.181 1.00 55.04 H new ATOM 0 HB2 ALA A 67 -40.520 57.764 -17.750 1.00 55.04 H new ATOM 0 HB3 ALA A 67 -40.675 56.127 -17.069 1.00 55.04 H new ATOM 955 N TYR A 68 -36.897 55.985 -16.415 1.00 51.34 N ATOM 956 CA TYR A 68 -36.083 55.102 -15.589 1.00 40.21 C ATOM 957 C TYR A 68 -36.943 54.366 -14.568 1.00 14.25 C ATOM 958 O TYR A 68 -37.347 54.935 -13.553 1.00 72.00 O ATOM 959 CB TYR A 68 -34.992 55.901 -14.874 1.00 21.50 C ATOM 960 CG TYR A 68 -33.717 55.120 -14.650 1.00 40.33 C ATOM 961 CD1 TYR A 68 -33.588 54.255 -13.571 1.00 62.13 C ATOM 962 CD2 TYR A 68 -32.640 55.247 -15.520 1.00 62.10 C ATOM 963 CE1 TYR A 68 -32.425 53.540 -13.364 1.00 72.13 C ATOM 964 CE2 TYR A 68 -31.474 54.535 -15.321 1.00 2.22 C ATOM 965 CZ TYR A 68 -31.370 53.684 -14.241 1.00 23.51 C ATOM 966 OH TYR A 68 -30.210 52.972 -14.038 1.00 32.15 O ATOM 0 H TYR A 68 -36.563 56.948 -16.459 1.00 51.34 H new ATOM 0 HA TYR A 68 -35.615 54.364 -16.241 1.00 40.21 H new ATOM 0 HB2 TYR A 68 -34.764 56.792 -15.459 1.00 21.50 H new ATOM 0 HB3 TYR A 68 -35.374 56.240 -13.911 1.00 21.50 H new ATOM 0 HD1 TYR A 68 -34.412 54.140 -12.882 1.00 62.13 H new ATOM 0 HD2 TYR A 68 -32.717 55.914 -16.366 1.00 62.10 H new ATOM 0 HE1 TYR A 68 -32.342 52.871 -12.520 1.00 72.13 H new ATOM 0 HE2 TYR A 68 -30.648 54.644 -16.008 1.00 2.22 H new ATOM 0 HH TYR A 68 -29.498 53.581 -13.750 1.00 32.15 H new ATOM 976 N HIS A 69 -37.219 53.095 -14.841 1.00 23.50 N ATOM 977 CA HIS A 69 -38.029 52.277 -13.945 1.00 52.51 C ATOM 978 C HIS A 69 -37.240 51.889 -12.700 1.00 1.30 C ATOM 979 O HIS A 69 -37.782 51.290 -11.772 1.00 71.01 O ATOM 980 CB HIS A 69 -38.516 51.022 -14.668 1.00 73.44 C ATOM 981 CG HIS A 69 -37.596 50.561 -15.756 1.00 70.31 C ATOM 982 ND1 HIS A 69 -38.044 50.037 -16.950 1.00 74.14 N ATOM 983 CD2 HIS A 69 -36.244 50.551 -15.827 1.00 33.31 C ATOM 984 CE1 HIS A 69 -37.009 49.722 -17.708 1.00 53.12 C ATOM 985 NE2 HIS A 69 -35.904 50.025 -17.049 1.00 74.23 N ATOM 0 H HIS A 69 -36.893 52.609 -15.676 1.00 23.50 H new ATOM 0 HA HIS A 69 -38.892 52.866 -13.635 1.00 52.51 H new ATOM 0 HB2 HIS A 69 -38.637 50.218 -13.942 1.00 73.44 H new ATOM 0 HB3 HIS A 69 -39.500 51.217 -15.094 1.00 73.44 H new ATOM 0 HD2 HIS A 69 -35.560 50.893 -15.064 1.00 33.31 H new ATOM 0 HE1 HIS A 69 -37.057 49.291 -18.697 1.00 53.12 H new ATOM 0 HE2 HIS A 69 -34.953 49.890 -17.392 1.00 74.23 H new ATOM 993 N GLU A 70 -35.955 52.232 -12.688 1.00 25.13 N ATOM 994 CA GLU A 70 -35.090 51.917 -11.557 1.00 72.23 C ATOM 995 C GLU A 70 -35.171 50.433 -11.208 1.00 63.12 C ATOM 996 O GLU A 70 -35.174 50.058 -10.037 1.00 31.52 O ATOM 997 CB GLU A 70 -35.480 52.758 -10.340 1.00 42.30 C ATOM 998 CG GLU A 70 -35.435 54.256 -10.596 1.00 71.23 C ATOM 999 CD GLU A 70 -35.770 55.069 -9.362 1.00 53.52 C ATOM 1000 OE1 GLU A 70 -36.423 54.522 -8.449 1.00 13.22 O ATOM 1001 OE2 GLU A 70 -35.378 56.254 -9.308 1.00 35.42 O ATOM 0 H GLU A 70 -35.491 52.728 -13.449 1.00 25.13 H new ATOM 0 HA GLU A 70 -34.064 52.152 -11.840 1.00 72.23 H new ATOM 0 HB2 GLU A 70 -36.486 52.482 -10.025 1.00 42.30 H new ATOM 0 HB3 GLU A 70 -34.811 52.519 -9.514 1.00 42.30 H new ATOM 0 HG2 GLU A 70 -34.441 54.531 -10.949 1.00 71.23 H new ATOM 0 HG3 GLU A 70 -36.136 54.506 -11.392 1.00 71.23 H new ATOM 1008 N GLY A 71 -35.234 49.591 -12.237 1.00 54.42 N ATOM 1009 CA GLY A 71 -35.314 48.159 -12.020 1.00 50.13 C ATOM 1010 C GLY A 71 -34.859 47.365 -13.227 1.00 21.33 C ATOM 1011 O GLY A 71 -33.665 47.137 -13.415 1.00 11.23 O ATOM 0 H GLY A 71 -35.231 49.876 -13.216 1.00 54.42 H new ATOM 0 HA2 GLY A 71 -34.701 47.890 -11.160 1.00 50.13 H new ATOM 0 HA3 GLY A 71 -36.341 47.888 -11.777 1.00 50.13 H new ATOM 1015 N GLU A 72 -35.815 46.938 -14.047 1.00 61.51 N ATOM 1016 CA GLU A 72 -35.505 46.161 -15.241 1.00 41.03 C ATOM 1017 C GLU A 72 -36.597 46.324 -16.295 1.00 53.24 C ATOM 1018 O GLU A 72 -37.771 46.414 -15.938 1.00 41.00 O ATOM 1019 CB GLU A 72 -35.341 44.682 -14.886 1.00 62.21 C ATOM 1020 CG GLU A 72 -33.893 44.250 -14.730 1.00 53.14 C ATOM 1021 CD GLU A 72 -33.000 44.793 -15.829 1.00 54.21 C ATOM 1022 OE1 GLU A 72 -33.408 44.737 -17.007 1.00 64.41 O ATOM 1023 OE2 GLU A 72 -31.895 45.277 -15.509 1.00 24.34 O ATOM 0 H GLU A 72 -36.809 47.117 -13.906 1.00 61.51 H new ATOM 0 HA GLU A 72 -34.567 46.535 -15.653 1.00 41.03 H new ATOM 0 HB2 GLU A 72 -35.874 44.479 -13.957 1.00 62.21 H new ATOM 0 HB3 GLU A 72 -35.810 44.077 -15.662 1.00 62.21 H new ATOM 0 HG2 GLU A 72 -33.519 44.588 -13.763 1.00 53.14 H new ATOM 0 HG3 GLU A 72 -33.841 43.161 -14.729 1.00 53.14 H new ATOM 1030 N CYS A 73 -36.191 46.358 -17.556 1.00 14.34 N ATOM 1031 CA CYS A 73 -37.142 46.511 -18.644 1.00 4.24 C ATOM 1032 C CYS A 73 -38.039 45.271 -18.676 1.00 14.33 C ATOM 1033 O CYS A 73 -39.254 45.351 -18.854 1.00 51.23 O ATOM 1034 CB CYS A 73 -36.437 46.740 -19.983 1.00 24.11 C ATOM 1035 SG CYS A 73 -35.037 47.899 -19.764 1.00 53.24 S ATOM 0 H CYS A 73 -35.217 46.282 -17.848 1.00 14.34 H new ATOM 0 HA CYS A 73 -37.754 47.397 -18.474 1.00 4.24 H new ATOM 0 HB2 CYS A 73 -36.076 45.791 -20.380 1.00 24.11 H new ATOM 0 HB3 CYS A 73 -37.142 47.142 -20.710 1.00 24.11 H new ATOM 0 HG CYS A 73 -35.437 49.113 -20.001 1.00 53.24 H new