USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=10 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 -170:sc= -0.614 USER MOD Set 1.2: A 64 CYS SG : rot -52:sc= -2.45 USER MOD Set 1.3: A 69 HIS : no HD1:sc= -5.78! K(o=-12!,f=-2.7) USER MOD Set 1.4: A 73 CYS SG : rot -83:sc= -2.73 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 CYS SG : rot 125:sc= -0.861 USER MOD Set 3.2: A 33 CYS SG : rot 179:sc= 0.684 USER MOD Set 3.3: A 48 CYS SG : rot -12:sc= -3.21! USER MOD Set 3.4: A 56 CYS SG : rot 167:sc= 1.07 USER MOD Single : A 23 MET CE :methyl -144:sc= -2.15 (180deg=-2.94!) USER MOD Single : A 43 GLN : amide:sc= 0.243! C(o=0.24!,f=-6.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 40:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -31.308 48.772 -27.977 1.00 15.50 N ATOM 342 CA MET A 23 -31.680 50.174 -28.134 1.00 0.54 C ATOM 343 C MET A 23 -30.459 51.078 -27.992 1.00 44.15 C ATOM 344 O MET A 23 -29.411 50.652 -27.509 1.00 11.13 O ATOM 345 CB MET A 23 -32.738 50.562 -27.099 1.00 0.21 C ATOM 346 CG MET A 23 -33.697 51.636 -27.585 1.00 13.14 C ATOM 347 SD MET A 23 -34.538 51.177 -29.113 1.00 15.22 S ATOM 348 CE MET A 23 -33.525 52.023 -30.325 1.00 54.41 C ATOM 0 HA MET A 23 -32.094 50.305 -29.134 1.00 0.54 H new ATOM 0 HB2 MET A 23 -33.308 49.675 -26.824 1.00 0.21 H new ATOM 0 HB3 MET A 23 -32.239 50.913 -26.196 1.00 0.21 H new ATOM 0 HG2 MET A 23 -34.439 51.832 -26.811 1.00 13.14 H new ATOM 0 HG3 MET A 23 -33.148 52.564 -27.742 1.00 13.14 H new ATOM 0 HE1 MET A 23 -34.157 52.392 -31.133 1.00 54.41 H new ATOM 0 HE2 MET A 23 -33.015 52.861 -29.851 1.00 54.41 H new ATOM 0 HE3 MET A 23 -32.787 51.330 -30.729 1.00 54.41 H new ATOM 358 N GLY A 24 -30.602 52.329 -28.420 1.00 64.22 N ATOM 359 CA GLY A 24 -29.503 53.272 -28.334 1.00 44.22 C ATOM 360 C GLY A 24 -29.782 54.559 -29.087 1.00 34.31 C ATOM 361 O GLY A 24 -29.276 55.620 -28.725 1.00 21.12 O ATOM 0 H GLY A 24 -31.459 52.706 -28.825 1.00 64.22 H new ATOM 0 HA2 GLY A 24 -29.307 53.503 -27.287 1.00 44.22 H new ATOM 0 HA3 GLY A 24 -28.600 52.810 -28.733 1.00 44.22 H new ATOM 365 N GLY A 25 -30.589 54.462 -30.139 1.00 45.32 N ATOM 366 CA GLY A 25 -30.918 55.633 -30.929 1.00 43.35 C ATOM 367 C GLY A 25 -32.350 56.087 -30.726 1.00 13.23 C ATOM 368 O GLY A 25 -33.189 55.939 -31.615 1.00 35.15 O ATOM 0 H GLY A 25 -31.020 53.594 -30.458 1.00 45.32 H new ATOM 0 HA2 GLY A 25 -30.242 56.446 -30.666 1.00 43.35 H new ATOM 0 HA3 GLY A 25 -30.756 55.413 -31.984 1.00 43.35 H new ATOM 372 N VAL A 26 -32.633 56.640 -29.551 1.00 0.24 N ATOM 373 CA VAL A 26 -33.974 57.115 -29.231 1.00 13.42 C ATOM 374 C VAL A 26 -33.968 58.607 -28.918 1.00 13.43 C ATOM 375 O VAL A 26 -32.909 59.210 -28.734 1.00 1.45 O ATOM 376 CB VAL A 26 -34.570 56.352 -28.034 1.00 53.51 C ATOM 377 CG1 VAL A 26 -34.689 54.868 -28.351 1.00 51.11 C ATOM 378 CG2 VAL A 26 -33.728 56.573 -26.787 1.00 25.32 C ATOM 0 H VAL A 26 -31.951 56.770 -28.804 1.00 0.24 H new ATOM 0 HA VAL A 26 -34.592 56.934 -30.110 1.00 13.42 H new ATOM 0 HB VAL A 26 -35.571 56.739 -27.842 1.00 53.51 H new ATOM 0 HG11 VAL A 26 -35.112 54.345 -27.493 1.00 51.11 H new ATOM 0 HG12 VAL A 26 -35.339 54.732 -29.216 1.00 51.11 H new ATOM 0 HG13 VAL A 26 -33.701 54.463 -28.572 1.00 51.11 H new ATOM 0 HG21 VAL A 26 -34.165 56.026 -25.951 1.00 25.32 H new ATOM 0 HG22 VAL A 26 -32.714 56.215 -26.965 1.00 25.32 H new ATOM 0 HG23 VAL A 26 -33.701 57.637 -26.550 1.00 25.32 H new ATOM 388 N LEU A 27 -35.157 59.197 -28.855 1.00 14.02 N ATOM 389 CA LEU A 27 -35.290 60.620 -28.562 1.00 5.34 C ATOM 390 C LEU A 27 -36.323 60.856 -27.466 1.00 12.24 C ATOM 391 O LEU A 27 -37.114 59.958 -27.181 1.00 31.41 O ATOM 392 CB LEU A 27 -35.684 61.387 -29.825 1.00 24.02 C ATOM 393 CG LEU A 27 -36.881 60.834 -30.599 1.00 62.44 C ATOM 394 CD1 LEU A 27 -38.063 61.787 -30.507 1.00 41.12 C ATOM 395 CD2 LEU A 27 -36.507 60.585 -32.053 1.00 35.11 C ATOM 0 H LEU A 27 -36.042 58.712 -29.003 1.00 14.02 H new ATOM 0 HA LEU A 27 -34.325 60.985 -28.210 1.00 5.34 H new ATOM 0 HB2 LEU A 27 -35.901 62.418 -29.547 1.00 24.02 H new ATOM 0 HB3 LEU A 27 -34.824 61.412 -30.494 1.00 24.02 H new ATOM 0 HG LEU A 27 -37.171 59.884 -30.151 1.00 62.44 H new ATOM 0 HD11 LEU A 27 -38.905 61.377 -31.064 1.00 41.12 H new ATOM 0 HD12 LEU A 27 -38.346 61.915 -29.462 1.00 41.12 H new ATOM 0 HD13 LEU A 27 -37.785 62.753 -30.929 1.00 41.12 H new ATOM 0 HD21 LEU A 27 -37.371 60.192 -32.589 1.00 35.11 H new ATOM 0 HD22 LEU A 27 -36.190 61.521 -32.513 1.00 35.11 H new ATOM 0 HD23 LEU A 27 -35.691 59.864 -32.100 1.00 35.11 H new ATOM 407 N CYS A 28 -36.297 62.046 -26.884 1.00 54.33 N ATOM 408 CA CYS A 28 -37.238 62.383 -25.829 1.00 1.51 C ATOM 409 C CYS A 28 -38.655 62.257 -26.390 1.00 50.44 C ATOM 410 O CYS A 28 -38.976 62.693 -27.498 1.00 24.15 O ATOM 411 CB CYS A 28 -36.971 63.777 -25.258 1.00 2.43 C ATOM 412 SG CYS A 28 -36.949 63.710 -23.429 1.00 12.54 S ATOM 0 H CYS A 28 -35.640 62.788 -27.123 1.00 54.33 H new ATOM 0 HA CYS A 28 -37.117 61.691 -24.995 1.00 1.51 H new ATOM 0 HB2 CYS A 28 -36.018 64.154 -25.628 1.00 2.43 H new ATOM 0 HB3 CYS A 28 -37.741 64.471 -25.596 1.00 2.43 H new ATOM 0 HG CYS A 28 -35.825 64.195 -22.990 1.00 12.54 H new ATOM 417 N PRO A 29 -39.532 61.638 -25.586 1.00 44.13 N ATOM 418 CA PRO A 29 -40.934 61.427 -25.956 1.00 15.51 C ATOM 419 C PRO A 29 -41.729 62.730 -25.981 1.00 22.45 C ATOM 420 O PRO A 29 -42.860 62.768 -26.465 1.00 62.11 O ATOM 421 CB PRO A 29 -41.457 60.503 -24.853 1.00 52.42 C ATOM 422 CG PRO A 29 -40.574 60.770 -23.684 1.00 20.12 C ATOM 423 CD PRO A 29 -39.220 61.095 -24.252 1.00 60.22 C ATOM 0 HA PRO A 29 -41.033 61.014 -26.960 1.00 15.51 H new ATOM 0 HB2 PRO A 29 -42.500 60.717 -24.619 1.00 52.42 H new ATOM 0 HB3 PRO A 29 -41.407 59.457 -25.156 1.00 52.42 H new ATOM 0 HG2 PRO A 29 -40.956 61.599 -23.088 1.00 20.12 H new ATOM 0 HG3 PRO A 29 -40.523 59.902 -23.027 1.00 20.12 H new ATOM 0 HD2 PRO A 29 -38.690 61.821 -23.636 1.00 60.22 H new ATOM 0 HD3 PRO A 29 -38.588 60.209 -24.316 1.00 60.22 H new ATOM 431 N ARG A 30 -41.130 63.793 -25.454 1.00 62.11 N ATOM 432 CA ARG A 30 -41.783 65.096 -25.416 1.00 65.55 C ATOM 433 C ARG A 30 -41.895 65.690 -26.818 1.00 61.42 C ATOM 434 O ARG A 30 -40.935 65.708 -27.589 1.00 54.02 O ATOM 435 CB ARG A 30 -41.009 66.051 -24.506 1.00 1.13 C ATOM 436 CG ARG A 30 -41.329 65.880 -23.029 1.00 44.04 C ATOM 437 CD ARG A 30 -40.199 65.177 -22.294 1.00 1.25 C ATOM 438 NE ARG A 30 -40.641 64.616 -21.021 1.00 31.04 N ATOM 439 CZ ARG A 30 -39.815 64.291 -20.032 1.00 4.42 C ATOM 440 NH1 ARG A 30 -38.508 64.473 -20.171 1.00 42.12 N ATOM 441 NH2 ARG A 30 -40.294 63.786 -18.903 1.00 23.23 N ATOM 0 H ARG A 30 -40.194 63.778 -25.048 1.00 62.11 H new ATOM 0 HA ARG A 30 -42.788 64.959 -25.017 1.00 65.55 H new ATOM 0 HB2 ARG A 30 -39.941 65.898 -24.658 1.00 1.13 H new ATOM 0 HB3 ARG A 30 -41.229 67.077 -24.800 1.00 1.13 H new ATOM 0 HG2 ARG A 30 -41.506 66.856 -22.578 1.00 44.04 H new ATOM 0 HG3 ARG A 30 -42.249 65.306 -22.919 1.00 44.04 H new ATOM 0 HD2 ARG A 30 -39.798 64.381 -22.921 1.00 1.25 H new ATOM 0 HD3 ARG A 30 -39.387 65.883 -22.117 1.00 1.25 H new ATOM 0 HE ARG A 30 -41.640 64.465 -20.883 1.00 31.04 H new ATOM 0 HH11 ARG A 30 -38.137 64.863 -21.037 1.00 42.12 H new ATOM 0 HH12 ARG A 30 -37.875 64.223 -19.411 1.00 42.12 H new ATOM 0 HH21 ARG A 30 -41.298 63.646 -18.792 1.00 23.23 H new ATOM 0 HH22 ARG A 30 -39.658 63.537 -18.145 1.00 23.23 H new ATOM 455 N PRO A 31 -43.094 66.187 -27.156 1.00 42.32 N ATOM 456 CA PRO A 31 -43.359 66.790 -28.465 1.00 55.14 C ATOM 457 C PRO A 31 -42.646 68.126 -28.643 1.00 61.13 C ATOM 458 O PRO A 31 -42.586 68.666 -29.747 1.00 23.04 O ATOM 459 CB PRO A 31 -44.877 66.991 -28.462 1.00 34.33 C ATOM 460 CG PRO A 31 -45.242 67.092 -27.020 1.00 63.34 C ATOM 461 CD PRO A 31 -44.281 66.198 -26.286 1.00 70.23 C ATOM 0 HA PRO A 31 -42.999 66.165 -29.282 1.00 55.14 H new ATOM 0 HB2 PRO A 31 -45.158 67.893 -29.006 1.00 34.33 H new ATOM 0 HB3 PRO A 31 -45.388 66.157 -28.942 1.00 34.33 H new ATOM 0 HG2 PRO A 31 -45.164 68.121 -26.669 1.00 63.34 H new ATOM 0 HG3 PRO A 31 -46.272 66.776 -26.855 1.00 63.34 H new ATOM 0 HD2 PRO A 31 -44.049 66.586 -25.294 1.00 70.23 H new ATOM 0 HD3 PRO A 31 -44.688 65.196 -26.149 1.00 70.23 H new ATOM 469 N GLY A 32 -42.106 68.654 -27.548 1.00 51.12 N ATOM 470 CA GLY A 32 -41.405 69.922 -27.607 1.00 4.23 C ATOM 471 C GLY A 32 -39.906 69.765 -27.431 1.00 55.43 C ATOM 472 O GLY A 32 -39.149 70.521 -28.038 1.00 12.30 O ATOM 0 H GLY A 32 -42.142 68.226 -26.623 1.00 51.12 H new ATOM 0 HA2 GLY A 32 -41.607 70.401 -28.565 1.00 4.23 H new ATOM 0 HA3 GLY A 32 -41.791 70.584 -26.832 1.00 4.23 H new ATOM 476 N CYS A 33 -39.509 68.800 -26.614 1.00 1.20 N ATOM 477 CA CYS A 33 -38.096 68.562 -26.371 1.00 70.05 C ATOM 478 C CYS A 33 -37.615 67.490 -27.351 1.00 31.22 C ATOM 479 O CYS A 33 -38.033 66.333 -27.310 1.00 41.45 O ATOM 480 CB CYS A 33 -37.832 68.165 -24.916 1.00 43.55 C ATOM 481 SG CYS A 33 -36.298 67.173 -24.807 1.00 70.25 S ATOM 0 H CYS A 33 -40.140 68.175 -26.113 1.00 1.20 H new ATOM 0 HA CYS A 33 -37.535 69.482 -26.536 1.00 70.05 H new ATOM 0 HB2 CYS A 33 -37.742 69.058 -24.297 1.00 43.55 H new ATOM 0 HB3 CYS A 33 -38.674 67.592 -24.528 1.00 43.55 H new ATOM 0 HG CYS A 33 -36.075 66.854 -23.567 1.00 70.25 H new ATOM 486 N GLY A 34 -36.716 67.903 -28.239 1.00 72.14 N ATOM 487 CA GLY A 34 -36.175 66.989 -29.228 1.00 74.11 C ATOM 488 C GLY A 34 -34.748 66.582 -28.921 1.00 43.30 C ATOM 489 O GLY A 34 -33.838 66.843 -29.707 1.00 24.20 O ATOM 0 H GLY A 34 -36.353 68.855 -28.291 1.00 72.14 H new ATOM 0 HA2 GLY A 34 -36.801 66.098 -29.276 1.00 74.11 H new ATOM 0 HA3 GLY A 34 -36.212 67.458 -30.211 1.00 74.11 H new ATOM 493 N ALA A 35 -34.551 65.942 -27.773 1.00 72.11 N ATOM 494 CA ALA A 35 -33.224 65.497 -27.364 1.00 43.41 C ATOM 495 C ALA A 35 -32.519 64.760 -28.497 1.00 43.34 C ATOM 496 O ALA A 35 -31.463 65.184 -28.964 1.00 24.11 O ATOM 497 CB ALA A 35 -33.321 64.609 -26.133 1.00 2.34 C ATOM 0 H ALA A 35 -35.293 65.720 -27.110 1.00 72.11 H new ATOM 0 HA ALA A 35 -32.633 66.378 -27.116 1.00 43.41 H new ATOM 0 HB1 ALA A 35 -32.323 64.284 -25.839 1.00 2.34 H new ATOM 0 HB2 ALA A 35 -33.776 65.169 -25.316 1.00 2.34 H new ATOM 0 HB3 ALA A 35 -33.934 63.737 -26.361 1.00 2.34 H new ATOM 503 N GLY A 36 -33.109 63.653 -28.934 1.00 62.53 N ATOM 504 CA GLY A 36 -32.523 62.874 -30.009 1.00 34.43 C ATOM 505 C GLY A 36 -31.018 62.753 -29.883 1.00 5.05 C ATOM 506 O GLY A 36 -30.294 62.865 -30.872 1.00 25.41 O ATOM 0 H GLY A 36 -33.983 63.281 -28.563 1.00 62.53 H new ATOM 0 HA2 GLY A 36 -32.965 61.878 -30.015 1.00 34.43 H new ATOM 0 HA3 GLY A 36 -32.768 63.337 -30.965 1.00 34.43 H new ATOM 510 N LEU A 37 -30.545 62.525 -28.662 1.00 62.14 N ATOM 511 CA LEU A 37 -29.114 62.390 -28.409 1.00 2.14 C ATOM 512 C LEU A 37 -28.750 60.942 -28.102 1.00 3.15 C ATOM 513 O LEU A 37 -29.534 60.207 -27.498 1.00 1.25 O ATOM 514 CB LEU A 37 -28.695 63.291 -27.246 1.00 40.50 C ATOM 515 CG LEU A 37 -29.563 63.212 -25.989 1.00 3.14 C ATOM 516 CD1 LEU A 37 -28.799 62.545 -24.856 1.00 22.41 C ATOM 517 CD2 LEU A 37 -30.030 64.600 -25.575 1.00 72.35 C ATOM 0 H LEU A 37 -31.131 62.430 -27.832 1.00 62.14 H new ATOM 0 HA LEU A 37 -28.580 62.696 -29.309 1.00 2.14 H new ATOM 0 HB2 LEU A 37 -27.670 63.043 -26.971 1.00 40.50 H new ATOM 0 HB3 LEU A 37 -28.690 64.323 -27.596 1.00 40.50 H new ATOM 0 HG LEU A 37 -30.442 62.607 -26.214 1.00 3.14 H new ATOM 0 HD11 LEU A 37 -29.431 62.497 -23.969 1.00 22.41 H new ATOM 0 HD12 LEU A 37 -28.514 61.536 -25.154 1.00 22.41 H new ATOM 0 HD13 LEU A 37 -27.903 63.123 -24.632 1.00 22.41 H new ATOM 0 HD21 LEU A 37 -30.646 64.524 -24.679 1.00 72.35 H new ATOM 0 HD22 LEU A 37 -29.164 65.229 -25.368 1.00 72.35 H new ATOM 0 HD23 LEU A 37 -30.615 65.043 -26.381 1.00 72.35 H new ATOM 529 N LEU A 38 -27.556 60.537 -28.518 1.00 5.52 N ATOM 530 CA LEU A 38 -27.084 59.176 -28.285 1.00 33.44 C ATOM 531 C LEU A 38 -26.214 59.107 -27.033 1.00 62.44 C ATOM 532 O LEU A 38 -25.051 59.508 -27.035 1.00 4.35 O ATOM 533 CB LEU A 38 -26.296 58.673 -29.496 1.00 1.11 C ATOM 534 CG LEU A 38 -26.525 57.213 -29.887 1.00 21.15 C ATOM 535 CD1 LEU A 38 -27.856 57.057 -30.606 1.00 34.43 C ATOM 536 CD2 LEU A 38 -25.384 56.709 -30.758 1.00 31.22 C ATOM 0 H LEU A 38 -26.896 61.132 -29.019 1.00 5.52 H new ATOM 0 HA LEU A 38 -27.955 58.537 -28.135 1.00 33.44 H new ATOM 0 HB2 LEU A 38 -26.544 59.301 -30.352 1.00 1.11 H new ATOM 0 HB3 LEU A 38 -25.234 58.812 -29.296 1.00 1.11 H new ATOM 0 HG LEU A 38 -26.553 56.613 -28.978 1.00 21.15 H new ATOM 0 HD11 LEU A 38 -28.003 56.011 -30.877 1.00 34.43 H new ATOM 0 HD12 LEU A 38 -28.664 57.378 -29.949 1.00 34.43 H new ATOM 0 HD13 LEU A 38 -27.856 57.669 -31.508 1.00 34.43 H new ATOM 0 HD21 LEU A 38 -25.564 55.668 -31.027 1.00 31.22 H new ATOM 0 HD22 LEU A 38 -25.324 57.312 -31.664 1.00 31.22 H new ATOM 0 HD23 LEU A 38 -24.446 56.785 -30.208 1.00 31.22 H new ATOM 548 N PRO A 39 -26.791 58.585 -25.941 1.00 24.33 N ATOM 549 CA PRO A 39 -26.084 58.448 -24.663 1.00 11.41 C ATOM 550 C PRO A 39 -24.993 57.386 -24.714 1.00 5.21 C ATOM 551 O PRO A 39 -24.675 56.861 -25.782 1.00 11.04 O ATOM 552 CB PRO A 39 -27.191 58.031 -23.690 1.00 3.52 C ATOM 553 CG PRO A 39 -28.219 57.375 -24.544 1.00 32.12 C ATOM 554 CD PRO A 39 -28.174 58.088 -25.868 1.00 32.53 C ATOM 0 HA PRO A 39 -25.571 59.367 -24.380 1.00 11.41 H new ATOM 0 HB2 PRO A 39 -26.813 57.347 -22.930 1.00 3.52 H new ATOM 0 HB3 PRO A 39 -27.603 58.893 -23.166 1.00 3.52 H new ATOM 0 HG2 PRO A 39 -28.006 56.313 -24.665 1.00 32.12 H new ATOM 0 HG3 PRO A 39 -29.208 57.452 -24.093 1.00 32.12 H new ATOM 0 HD2 PRO A 39 -28.403 57.415 -26.695 1.00 32.53 H new ATOM 0 HD3 PRO A 39 -28.897 58.903 -25.910 1.00 32.53 H new ATOM 562 N GLU A 40 -24.421 57.074 -23.555 1.00 41.42 N ATOM 563 CA GLU A 40 -23.363 56.074 -23.470 1.00 3.51 C ATOM 564 C GLU A 40 -23.919 54.673 -23.709 1.00 1.13 C ATOM 565 O GLU A 40 -25.127 54.442 -23.671 1.00 12.30 O ATOM 566 CB GLU A 40 -22.679 56.138 -22.102 1.00 61.22 C ATOM 567 CG GLU A 40 -21.379 56.922 -22.109 1.00 11.33 C ATOM 568 CD GLU A 40 -20.314 56.295 -21.230 1.00 70.32 C ATOM 569 OE1 GLU A 40 -20.049 55.085 -21.395 1.00 23.01 O ATOM 570 OE2 GLU A 40 -19.747 57.011 -20.379 1.00 74.24 O ATOM 0 H GLU A 40 -24.672 57.499 -22.663 1.00 41.42 H new ATOM 0 HA GLU A 40 -22.628 56.292 -24.245 1.00 3.51 H new ATOM 0 HB2 GLU A 40 -23.363 56.591 -21.384 1.00 61.22 H new ATOM 0 HB3 GLU A 40 -22.480 55.123 -21.757 1.00 61.22 H new ATOM 0 HG2 GLU A 40 -21.007 56.991 -23.131 1.00 11.33 H new ATOM 0 HG3 GLU A 40 -21.571 57.940 -21.770 1.00 11.33 H new ATOM 577 N PRO A 41 -23.016 53.714 -23.961 1.00 21.14 N ATOM 578 CA PRO A 41 -23.391 52.319 -24.211 1.00 72.04 C ATOM 579 C PRO A 41 -23.920 51.629 -22.959 1.00 53.10 C ATOM 580 O PRO A 41 -24.187 50.426 -22.968 1.00 72.43 O ATOM 581 CB PRO A 41 -22.079 51.673 -24.664 1.00 51.54 C ATOM 582 CG PRO A 41 -21.012 52.516 -24.053 1.00 53.02 C ATOM 583 CD PRO A 41 -21.558 53.917 -24.022 1.00 54.11 C ATOM 0 HA PRO A 41 -24.195 52.238 -24.942 1.00 72.04 H new ATOM 0 HB2 PRO A 41 -22.009 50.639 -24.326 1.00 51.54 H new ATOM 0 HB3 PRO A 41 -21.999 51.659 -25.751 1.00 51.54 H new ATOM 0 HG2 PRO A 41 -20.768 52.170 -23.049 1.00 53.02 H new ATOM 0 HG3 PRO A 41 -20.094 52.468 -24.638 1.00 53.02 H new ATOM 0 HD2 PRO A 41 -21.193 54.471 -23.157 1.00 54.11 H new ATOM 0 HD3 PRO A 41 -21.268 54.481 -24.908 1.00 54.11 H new ATOM 591 N ASP A 42 -24.068 52.394 -21.884 1.00 71.15 N ATOM 592 CA ASP A 42 -24.567 51.855 -20.624 1.00 53.32 C ATOM 593 C ASP A 42 -25.886 52.517 -20.234 1.00 3.21 C ATOM 594 O ASP A 42 -25.903 53.644 -19.741 1.00 64.40 O ATOM 595 CB ASP A 42 -23.534 52.057 -19.514 1.00 34.31 C ATOM 596 CG ASP A 42 -22.132 51.686 -19.955 1.00 44.12 C ATOM 597 OD1 ASP A 42 -21.606 52.348 -20.875 1.00 11.02 O ATOM 598 OD2 ASP A 42 -21.560 50.735 -19.381 1.00 52.22 O ATOM 0 H ASP A 42 -23.850 53.390 -21.859 1.00 71.15 H new ATOM 0 HA ASP A 42 -24.742 50.787 -20.758 1.00 53.32 H new ATOM 0 HB2 ASP A 42 -23.548 53.099 -19.194 1.00 34.31 H new ATOM 0 HB3 ASP A 42 -23.811 51.454 -18.649 1.00 34.31 H new ATOM 603 N GLN A 43 -26.987 51.808 -20.460 1.00 61.04 N ATOM 604 CA GLN A 43 -28.310 52.327 -20.135 1.00 53.12 C ATOM 605 C GLN A 43 -28.427 52.622 -18.643 1.00 11.32 C ATOM 606 O GLN A 43 -29.331 53.337 -18.210 1.00 1.34 O ATOM 607 CB GLN A 43 -29.391 51.330 -20.556 1.00 3.44 C ATOM 608 CG GLN A 43 -28.918 49.885 -20.556 1.00 55.21 C ATOM 609 CD GLN A 43 -28.298 49.475 -21.876 1.00 72.13 C ATOM 610 OE1 GLN A 43 -27.541 50.233 -22.483 1.00 22.11 O ATOM 611 NE2 GLN A 43 -28.615 48.267 -22.331 1.00 32.03 N ATOM 0 H GLN A 43 -26.989 50.873 -20.867 1.00 61.04 H new ATOM 0 HA GLN A 43 -28.452 53.258 -20.684 1.00 53.12 H new ATOM 0 HB2 GLN A 43 -30.243 51.425 -19.883 1.00 3.44 H new ATOM 0 HB3 GLN A 43 -29.743 51.589 -21.555 1.00 3.44 H new ATOM 0 HG2 GLN A 43 -28.189 49.745 -19.758 1.00 55.21 H new ATOM 0 HG3 GLN A 43 -29.761 49.230 -20.336 1.00 55.21 H new ATOM 0 HE21 GLN A 43 -29.246 47.670 -21.797 1.00 32.03 H new ATOM 0 HE22 GLN A 43 -28.227 47.937 -23.215 1.00 32.03 H new ATOM 620 N ARG A 44 -27.507 52.064 -17.861 1.00 45.35 N ATOM 621 CA ARG A 44 -27.508 52.267 -16.417 1.00 52.14 C ATOM 622 C ARG A 44 -28.045 53.651 -16.062 1.00 74.41 C ATOM 623 O ARG A 44 -28.782 53.812 -15.088 1.00 34.53 O ATOM 624 CB ARG A 44 -26.095 52.097 -15.856 1.00 51.53 C ATOM 625 CG ARG A 44 -25.113 53.147 -16.351 1.00 52.54 C ATOM 626 CD ARG A 44 -23.698 52.596 -16.425 1.00 34.12 C ATOM 627 NE ARG A 44 -22.958 52.823 -15.185 1.00 65.42 N ATOM 628 CZ ARG A 44 -21.972 52.038 -14.764 1.00 75.02 C ATOM 629 NH1 ARG A 44 -21.612 50.981 -15.477 1.00 44.14 N ATOM 630 NH2 ARG A 44 -21.347 52.311 -13.627 1.00 12.21 N ATOM 0 H ARG A 44 -26.753 51.469 -18.203 1.00 45.35 H new ATOM 0 HA ARG A 44 -28.162 51.518 -15.971 1.00 52.14 H new ATOM 0 HB2 ARG A 44 -26.138 52.136 -14.768 1.00 51.53 H new ATOM 0 HB3 ARG A 44 -25.723 51.108 -16.125 1.00 51.53 H new ATOM 0 HG2 ARG A 44 -25.420 53.498 -17.336 1.00 52.54 H new ATOM 0 HG3 ARG A 44 -25.134 54.009 -15.685 1.00 52.54 H new ATOM 0 HD2 ARG A 44 -23.735 51.527 -16.635 1.00 34.12 H new ATOM 0 HD3 ARG A 44 -23.169 53.065 -17.254 1.00 34.12 H new ATOM 0 HE ARG A 44 -23.212 53.628 -14.612 1.00 65.42 H new ATOM 0 HH11 ARG A 44 -22.092 50.768 -16.351 1.00 44.14 H new ATOM 0 HH12 ARG A 44 -20.855 50.380 -15.152 1.00 44.14 H new ATOM 0 HH21 ARG A 44 -21.623 53.123 -13.076 1.00 12.21 H new ATOM 0 HH22 ARG A 44 -20.590 51.709 -13.304 1.00 12.21 H new ATOM 644 N LYS A 45 -27.672 54.646 -16.858 1.00 52.51 N ATOM 645 CA LYS A 45 -28.117 56.016 -16.628 1.00 42.34 C ATOM 646 C LYS A 45 -28.029 56.837 -17.911 1.00 1.45 C ATOM 647 O LYS A 45 -26.937 57.149 -18.387 1.00 41.44 O ATOM 648 CB LYS A 45 -27.275 56.671 -15.532 1.00 3.11 C ATOM 649 CG LYS A 45 -28.095 57.190 -14.364 1.00 12.42 C ATOM 650 CD LYS A 45 -27.639 58.575 -13.934 1.00 23.53 C ATOM 651 CE LYS A 45 -28.072 59.640 -14.930 1.00 31.14 C ATOM 652 NZ LYS A 45 -28.447 60.912 -14.253 1.00 31.24 N ATOM 0 H LYS A 45 -27.063 54.530 -17.668 1.00 52.51 H new ATOM 0 HA LYS A 45 -29.158 55.985 -16.307 1.00 42.34 H new ATOM 0 HB2 LYS A 45 -26.549 55.947 -15.162 1.00 3.11 H new ATOM 0 HB3 LYS A 45 -26.710 57.497 -15.964 1.00 3.11 H new ATOM 0 HG2 LYS A 45 -29.148 57.223 -14.644 1.00 12.42 H new ATOM 0 HG3 LYS A 45 -28.010 56.501 -13.524 1.00 12.42 H new ATOM 0 HD2 LYS A 45 -28.051 58.806 -12.951 1.00 23.53 H new ATOM 0 HD3 LYS A 45 -26.554 58.587 -13.836 1.00 23.53 H new ATOM 0 HE2 LYS A 45 -27.262 59.829 -15.635 1.00 31.14 H new ATOM 0 HE3 LYS A 45 -28.920 59.273 -15.509 1.00 31.14 H new ATOM 0 HZ1 LYS A 45 -28.736 61.612 -14.965 1.00 31.24 H new ATOM 0 HZ2 LYS A 45 -29.236 60.737 -13.599 1.00 31.24 H new ATOM 0 HZ3 LYS A 45 -27.631 61.276 -13.721 1.00 31.24 H new ATOM 666 N VAL A 46 -29.185 57.188 -18.465 1.00 1.41 N ATOM 667 CA VAL A 46 -29.238 57.976 -19.690 1.00 53.01 C ATOM 668 C VAL A 46 -29.884 59.334 -19.442 1.00 52.30 C ATOM 669 O VAL A 46 -31.085 59.426 -19.180 1.00 65.34 O ATOM 670 CB VAL A 46 -30.020 57.242 -20.796 1.00 70.11 C ATOM 671 CG1 VAL A 46 -30.582 58.236 -21.802 1.00 34.20 C ATOM 672 CG2 VAL A 46 -29.131 56.218 -21.486 1.00 71.21 C ATOM 0 H VAL A 46 -30.098 56.939 -18.084 1.00 1.41 H new ATOM 0 HA VAL A 46 -28.209 58.121 -20.018 1.00 53.01 H new ATOM 0 HB VAL A 46 -30.856 56.714 -20.337 1.00 70.11 H new ATOM 0 HG11 VAL A 46 -31.131 57.699 -22.576 1.00 34.20 H new ATOM 0 HG12 VAL A 46 -31.254 58.928 -21.294 1.00 34.20 H new ATOM 0 HG13 VAL A 46 -29.764 58.794 -22.258 1.00 34.20 H new ATOM 0 HG21 VAL A 46 -29.699 55.709 -22.264 1.00 71.21 H new ATOM 0 HG22 VAL A 46 -28.274 56.722 -21.933 1.00 71.21 H new ATOM 0 HG23 VAL A 46 -28.782 55.488 -20.755 1.00 71.21 H new ATOM 682 N THR A 47 -29.081 60.391 -19.527 1.00 31.33 N ATOM 683 CA THR A 47 -29.574 61.745 -19.312 1.00 1.23 C ATOM 684 C THR A 47 -29.997 62.392 -20.625 1.00 64.43 C ATOM 685 O THR A 47 -29.405 62.091 -21.662 1.00 42.51 O ATOM 686 CB THR A 47 -28.509 62.630 -18.637 1.00 31.54 C ATOM 687 OG1 THR A 47 -27.970 61.960 -17.492 1.00 33.52 O ATOM 688 CG2 THR A 47 -29.103 63.966 -18.215 1.00 63.20 C ATOM 0 H THR A 47 -28.086 60.334 -19.743 1.00 31.33 H new ATOM 0 HA THR A 47 -30.440 61.665 -18.655 1.00 1.23 H new ATOM 0 HB THR A 47 -27.713 62.816 -19.358 1.00 31.54 H new ATOM 0 HG1 THR A 47 -27.293 62.528 -17.069 1.00 33.52 H new ATOM 0 HG21 THR A 47 -28.332 64.573 -17.741 1.00 63.20 H new ATOM 0 HG22 THR A 47 -29.487 64.487 -19.092 1.00 63.20 H new ATOM 0 HG23 THR A 47 -29.916 63.796 -17.509 1.00 63.20 H new ATOM 696 N CYS A 48 -30.999 63.257 -20.557 1.00 32.22 N ATOM 697 CA CYS A 48 -31.485 63.934 -21.748 1.00 13.35 C ATOM 698 C CYS A 48 -30.802 65.301 -21.834 1.00 42.15 C ATOM 699 O CYS A 48 -30.684 65.903 -22.900 1.00 62.32 O ATOM 700 CB CYS A 48 -33.009 64.057 -21.744 1.00 54.43 C ATOM 701 SG CYS A 48 -33.546 65.225 -23.047 1.00 15.53 S ATOM 0 H CYS A 48 -31.487 63.504 -19.696 1.00 32.22 H new ATOM 0 HA CYS A 48 -31.235 63.348 -22.632 1.00 13.35 H new ATOM 0 HB2 CYS A 48 -33.461 63.080 -21.911 1.00 54.43 H new ATOM 0 HB3 CYS A 48 -33.352 64.404 -20.769 1.00 54.43 H new ATOM 0 HG CYS A 48 -32.513 65.867 -23.506 1.00 15.53 H new ATOM 706 N GLU A 49 -30.351 65.779 -20.679 1.00 34.01 N ATOM 707 CA GLU A 49 -29.678 67.070 -20.597 1.00 15.33 C ATOM 708 C GLU A 49 -28.523 67.144 -21.590 1.00 24.53 C ATOM 709 O GLU A 49 -28.218 68.209 -22.126 1.00 24.53 O ATOM 710 CB GLU A 49 -29.161 67.312 -19.177 1.00 60.11 C ATOM 711 CG GLU A 49 -27.645 67.354 -19.080 1.00 41.15 C ATOM 712 CD GLU A 49 -27.145 67.133 -17.667 1.00 22.13 C ATOM 713 OE1 GLU A 49 -27.479 67.951 -16.783 1.00 64.12 O ATOM 714 OE2 GLU A 49 -26.419 66.143 -17.443 1.00 32.24 O ATOM 0 H GLU A 49 -30.439 65.292 -19.787 1.00 34.01 H new ATOM 0 HA GLU A 49 -30.402 67.845 -20.849 1.00 15.33 H new ATOM 0 HB2 GLU A 49 -29.567 68.254 -18.807 1.00 60.11 H new ATOM 0 HB3 GLU A 49 -29.537 66.525 -18.523 1.00 60.11 H new ATOM 0 HG2 GLU A 49 -27.222 66.592 -19.735 1.00 41.15 H new ATOM 0 HG3 GLU A 49 -27.288 68.319 -19.441 1.00 41.15 H new ATOM 775 N GLY A 55 -31.759 70.145 -20.732 1.00 55.13 N ATOM 776 CA GLY A 55 -31.893 69.580 -19.402 1.00 23.12 C ATOM 777 C GLY A 55 -33.338 69.310 -19.029 1.00 42.20 C ATOM 778 O GLY A 55 -33.993 70.201 -18.490 1.00 13.25 O ATOM 0 HA2 GLY A 55 -31.327 68.650 -19.347 1.00 23.12 H new ATOM 0 HA3 GLY A 55 -31.455 70.263 -18.675 1.00 23.12 H new ATOM 782 N CYS A 56 -33.806 68.106 -19.319 1.00 22.12 N ATOM 783 CA CYS A 56 -35.177 67.740 -19.008 1.00 12.55 C ATOM 784 C CYS A 56 -35.320 67.661 -17.487 1.00 12.42 C ATOM 785 O CYS A 56 -36.316 68.085 -16.900 1.00 43.22 O ATOM 786 CB CYS A 56 -35.582 66.431 -19.687 1.00 34.11 C ATOM 787 SG CYS A 56 -36.499 66.785 -21.231 1.00 23.12 S ATOM 0 H CYS A 56 -33.260 67.370 -19.767 1.00 22.12 H new ATOM 0 HA CYS A 56 -35.855 68.499 -19.397 1.00 12.55 H new ATOM 0 HB2 CYS A 56 -34.695 65.837 -19.909 1.00 34.11 H new ATOM 0 HB3 CYS A 56 -36.202 65.839 -19.014 1.00 34.11 H new ATOM 0 HG CYS A 56 -36.593 65.699 -21.939 1.00 23.12 H new ATOM 792 N GLY A 57 -34.291 67.104 -16.853 1.00 20.12 N ATOM 793 CA GLY A 57 -34.295 66.965 -15.409 1.00 43.32 C ATOM 794 C GLY A 57 -34.628 65.556 -14.964 1.00 14.33 C ATOM 795 O GLY A 57 -34.784 65.295 -13.770 1.00 65.01 O ATOM 0 H GLY A 57 -33.455 66.747 -17.315 1.00 20.12 H new ATOM 0 HA2 GLY A 57 -33.317 67.245 -15.017 1.00 43.32 H new ATOM 0 HA3 GLY A 57 -35.020 67.658 -14.982 1.00 43.32 H new ATOM 799 N PHE A 58 -34.738 64.643 -15.922 1.00 52.22 N ATOM 800 CA PHE A 58 -35.059 63.252 -15.623 1.00 52.31 C ATOM 801 C PHE A 58 -34.427 62.316 -16.647 1.00 63.42 C ATOM 802 O PHE A 58 -34.635 62.464 -17.851 1.00 53.31 O ATOM 803 CB PHE A 58 -36.575 63.050 -15.596 1.00 72.11 C ATOM 804 CG PHE A 58 -36.993 61.727 -15.021 1.00 72.14 C ATOM 805 CD1 PHE A 58 -37.069 60.601 -15.824 1.00 75.12 C ATOM 806 CD2 PHE A 58 -37.311 61.609 -13.676 1.00 45.43 C ATOM 807 CE1 PHE A 58 -37.453 59.381 -15.297 1.00 54.25 C ATOM 808 CE2 PHE A 58 -37.695 60.394 -13.145 1.00 73.32 C ATOM 809 CZ PHE A 58 -37.768 59.278 -13.957 1.00 31.30 C ATOM 0 H PHE A 58 -34.609 64.841 -16.914 1.00 52.22 H new ATOM 0 HA PHE A 58 -34.651 63.014 -14.640 1.00 52.31 H new ATOM 0 HB2 PHE A 58 -37.030 63.851 -15.013 1.00 72.11 H new ATOM 0 HB3 PHE A 58 -36.963 63.135 -16.611 1.00 72.11 H new ATOM 0 HD1 PHE A 58 -36.826 60.676 -16.874 1.00 75.12 H new ATOM 0 HD2 PHE A 58 -37.258 62.478 -13.037 1.00 45.43 H new ATOM 0 HE1 PHE A 58 -37.506 58.510 -15.933 1.00 54.25 H new ATOM 0 HE2 PHE A 58 -37.938 60.316 -12.096 1.00 73.32 H new ATOM 0 HZ PHE A 58 -38.071 58.327 -13.544 1.00 31.30 H new ATOM 819 N ALA A 59 -33.653 61.351 -16.160 1.00 63.14 N ATOM 820 CA ALA A 59 -32.991 60.389 -17.033 1.00 70.35 C ATOM 821 C ALA A 59 -33.892 59.190 -17.311 1.00 22.35 C ATOM 822 O ALA A 59 -34.728 58.826 -16.485 1.00 33.33 O ATOM 823 CB ALA A 59 -31.677 59.934 -16.416 1.00 20.23 C ATOM 0 H ALA A 59 -33.469 61.215 -15.166 1.00 63.14 H new ATOM 0 HA ALA A 59 -32.782 60.881 -17.983 1.00 70.35 H new ATOM 0 HB1 ALA A 59 -31.193 59.216 -17.078 1.00 20.23 H new ATOM 0 HB2 ALA A 59 -31.024 60.795 -16.275 1.00 20.23 H new ATOM 0 HB3 ALA A 59 -31.871 59.464 -15.452 1.00 20.23 H new ATOM 829 N PHE A 60 -33.714 58.580 -18.477 1.00 45.24 N ATOM 830 CA PHE A 60 -34.512 57.423 -18.864 1.00 73.34 C ATOM 831 C PHE A 60 -33.626 56.198 -19.081 1.00 43.24 C ATOM 832 O PHE A 60 -32.411 56.297 -18.912 1.00 61.31 O ATOM 833 CB PHE A 60 -35.304 57.725 -20.137 1.00 71.20 C ATOM 834 CG PHE A 60 -34.464 58.295 -21.245 1.00 21.02 C ATOM 835 CD1 PHE A 60 -33.866 59.537 -21.108 1.00 25.52 C ATOM 836 CD2 PHE A 60 -34.275 57.590 -22.422 1.00 72.13 C ATOM 837 CE1 PHE A 60 -33.091 60.065 -22.124 1.00 71.14 C ATOM 838 CE2 PHE A 60 -33.502 58.112 -23.442 1.00 5.12 C ATOM 839 CZ PHE A 60 -32.911 59.351 -23.294 1.00 5.25 C ATOM 0 H PHE A 60 -33.024 58.867 -19.171 1.00 45.24 H new ATOM 0 HA PHE A 60 -35.209 57.207 -18.054 1.00 73.34 H new ATOM 0 HB2 PHE A 60 -35.778 56.808 -20.486 1.00 71.20 H new ATOM 0 HB3 PHE A 60 -36.103 58.427 -19.900 1.00 71.20 H new ATOM 0 HD1 PHE A 60 -34.007 60.099 -20.197 1.00 25.52 H new ATOM 0 HD2 PHE A 60 -34.737 56.621 -22.544 1.00 72.13 H new ATOM 0 HE1 PHE A 60 -32.627 61.033 -22.004 1.00 71.14 H new ATOM 0 HE2 PHE A 60 -33.360 57.551 -24.354 1.00 5.12 H new ATOM 0 HZ PHE A 60 -32.309 59.762 -24.091 1.00 5.25 H new ATOM 849 N CYS A 61 -34.245 55.087 -19.446 1.00 73.42 N ATOM 850 CA CYS A 61 -33.504 53.859 -19.681 1.00 2.21 C ATOM 851 C CYS A 61 -33.527 53.563 -21.181 1.00 24.11 C ATOM 852 O CYS A 61 -34.571 53.308 -21.780 1.00 41.11 O ATOM 853 CB CYS A 61 -34.064 52.695 -18.861 1.00 41.43 C ATOM 854 SG CYS A 61 -33.355 51.115 -19.453 1.00 24.12 S ATOM 0 H CYS A 61 -35.253 55.010 -19.585 1.00 73.42 H new ATOM 0 HA CYS A 61 -32.472 53.986 -19.353 1.00 2.21 H new ATOM 0 HB2 CYS A 61 -33.829 52.836 -17.806 1.00 41.43 H new ATOM 0 HB3 CYS A 61 -35.150 52.670 -18.945 1.00 41.43 H new ATOM 0 HG CYS A 61 -33.983 50.122 -18.897 1.00 24.12 H new ATOM 859 N ARG A 62 -32.341 53.604 -21.781 1.00 14.14 N ATOM 860 CA ARG A 62 -32.196 53.345 -23.208 1.00 24.20 C ATOM 861 C ARG A 62 -32.755 51.973 -23.572 1.00 13.40 C ATOM 862 O ARG A 62 -33.508 51.836 -24.536 1.00 21.22 O ATOM 863 CB ARG A 62 -30.724 53.432 -23.617 1.00 51.01 C ATOM 864 CG ARG A 62 -30.512 54.003 -25.010 1.00 71.04 C ATOM 865 CD ARG A 62 -30.972 55.450 -25.096 1.00 1.33 C ATOM 866 NE ARG A 62 -30.600 56.068 -26.365 1.00 61.34 N ATOM 867 CZ ARG A 62 -30.759 57.360 -26.629 1.00 72.03 C ATOM 868 NH1 ARG A 62 -31.278 58.167 -25.714 1.00 55.14 N ATOM 869 NH2 ARG A 62 -30.398 57.848 -27.808 1.00 41.23 N ATOM 0 H ARG A 62 -31.466 53.814 -21.300 1.00 14.14 H new ATOM 0 HA ARG A 62 -32.762 54.104 -23.748 1.00 24.20 H new ATOM 0 HB2 ARG A 62 -30.191 54.050 -22.895 1.00 51.01 H new ATOM 0 HB3 ARG A 62 -30.283 52.436 -23.571 1.00 51.01 H new ATOM 0 HG2 ARG A 62 -29.456 53.940 -25.273 1.00 71.04 H new ATOM 0 HG3 ARG A 62 -31.059 53.403 -25.737 1.00 71.04 H new ATOM 0 HD2 ARG A 62 -32.054 55.494 -24.975 1.00 1.33 H new ATOM 0 HD3 ARG A 62 -30.536 56.018 -24.274 1.00 1.33 H new ATOM 0 HE ARG A 62 -30.195 55.475 -27.089 1.00 61.34 H new ATOM 0 HH11 ARG A 62 -31.556 57.796 -24.805 1.00 55.14 H new ATOM 0 HH12 ARG A 62 -31.399 59.159 -25.919 1.00 55.14 H new ATOM 0 HH21 ARG A 62 -29.997 57.231 -28.514 1.00 41.23 H new ATOM 0 HH22 ARG A 62 -30.521 58.841 -28.008 1.00 41.23 H new ATOM 883 N GLU A 63 -32.382 50.962 -22.794 1.00 11.41 N ATOM 884 CA GLU A 63 -32.846 49.601 -23.035 1.00 1.12 C ATOM 885 C GLU A 63 -34.318 49.591 -23.439 1.00 44.22 C ATOM 886 O GLU A 63 -34.633 49.189 -24.557 1.00 64.22 O ATOM 887 CB GLU A 63 -32.643 48.740 -21.786 1.00 64.44 C ATOM 888 CG GLU A 63 -32.798 47.251 -22.044 1.00 13.15 C ATOM 889 CD GLU A 63 -31.768 46.421 -21.303 1.00 35.35 C ATOM 890 OE1 GLU A 63 -30.729 46.984 -20.900 1.00 53.33 O ATOM 891 OE2 GLU A 63 -32.001 45.205 -21.126 1.00 53.30 O ATOM 0 H GLU A 63 -31.760 51.060 -21.992 1.00 11.41 H new ATOM 0 HA GLU A 63 -32.259 49.185 -23.854 1.00 1.12 H new ATOM 0 HB2 GLU A 63 -31.648 48.929 -21.382 1.00 64.44 H new ATOM 0 HB3 GLU A 63 -33.360 49.045 -21.024 1.00 64.44 H new ATOM 0 HG2 GLU A 63 -33.797 46.936 -21.744 1.00 13.15 H new ATOM 0 HG3 GLU A 63 -32.712 47.060 -23.114 1.00 13.15 H new ATOM 898 N CYS A 64 -35.176 50.031 -22.529 1.00 20.54 N ATOM 899 CA CYS A 64 -36.603 50.066 -22.802 1.00 23.44 C ATOM 900 C CYS A 64 -36.950 51.447 -23.361 1.00 61.11 C ATOM 901 O CYS A 64 -38.097 51.750 -23.690 1.00 34.03 O ATOM 902 CB CYS A 64 -37.426 49.730 -21.557 1.00 42.42 C ATOM 903 SG CYS A 64 -36.862 50.747 -20.142 1.00 62.43 S ATOM 0 H CYS A 64 -34.910 50.366 -21.603 1.00 20.54 H new ATOM 0 HA CYS A 64 -36.854 49.303 -23.539 1.00 23.44 H new ATOM 0 HB2 CYS A 64 -38.483 49.913 -21.749 1.00 42.42 H new ATOM 0 HB3 CYS A 64 -37.324 48.671 -21.318 1.00 42.42 H new ATOM 0 HG CYS A 64 -35.574 50.632 -20.011 1.00 62.43 H new ATOM 908 N LYS A 65 -35.924 52.284 -23.464 1.00 54.44 N ATOM 909 CA LYS A 65 -36.091 53.639 -23.980 1.00 41.32 C ATOM 910 C LYS A 65 -37.306 54.314 -23.354 1.00 51.41 C ATOM 911 O LYS A 65 -37.969 55.134 -23.989 1.00 64.34 O ATOM 912 CB LYS A 65 -36.237 53.611 -25.504 1.00 53.41 C ATOM 913 CG LYS A 65 -37.221 52.566 -26.000 1.00 41.03 C ATOM 914 CD LYS A 65 -37.311 52.562 -27.517 1.00 24.31 C ATOM 915 CE LYS A 65 -38.170 53.709 -28.029 1.00 14.45 C ATOM 916 NZ LYS A 65 -39.617 53.355 -28.038 1.00 61.33 N ATOM 0 H LYS A 65 -34.968 52.049 -23.197 1.00 54.44 H new ATOM 0 HA LYS A 65 -35.203 54.214 -23.716 1.00 41.32 H new ATOM 0 HB2 LYS A 65 -36.559 54.594 -25.848 1.00 53.41 H new ATOM 0 HB3 LYS A 65 -35.261 53.421 -25.951 1.00 53.41 H new ATOM 0 HG2 LYS A 65 -36.914 51.580 -25.650 1.00 41.03 H new ATOM 0 HG3 LYS A 65 -38.206 52.762 -25.576 1.00 41.03 H new ATOM 0 HD2 LYS A 65 -36.310 52.638 -27.942 1.00 24.31 H new ATOM 0 HD3 LYS A 65 -37.729 51.614 -27.855 1.00 24.31 H new ATOM 0 HE2 LYS A 65 -38.015 54.587 -27.403 1.00 14.45 H new ATOM 0 HE3 LYS A 65 -37.855 53.977 -29.038 1.00 14.45 H new ATOM 0 HZ1 LYS A 65 -40.169 54.161 -28.393 1.00 61.33 H new ATOM 0 HZ2 LYS A 65 -39.769 52.532 -28.656 1.00 61.33 H new ATOM 0 HZ3 LYS A 65 -39.924 53.124 -27.072 1.00 61.33 H new ATOM 930 N GLU A 66 -37.593 53.965 -22.102 1.00 51.03 N ATOM 931 CA GLU A 66 -38.728 54.541 -21.392 1.00 13.14 C ATOM 932 C GLU A 66 -38.286 55.163 -20.071 1.00 3.01 C ATOM 933 O GLU A 66 -37.105 55.131 -19.722 1.00 34.11 O ATOM 934 CB GLU A 66 -39.791 53.470 -21.132 1.00 1.21 C ATOM 935 CG GLU A 66 -39.669 52.810 -19.768 1.00 21.13 C ATOM 936 CD GLU A 66 -40.434 51.504 -19.683 1.00 11.11 C ATOM 937 OE1 GLU A 66 -40.269 50.659 -20.588 1.00 15.51 O ATOM 938 OE2 GLU A 66 -41.199 51.326 -18.711 1.00 0.22 O ATOM 0 H GLU A 66 -37.056 53.288 -21.561 1.00 51.03 H new ATOM 0 HA GLU A 66 -39.155 55.325 -22.018 1.00 13.14 H new ATOM 0 HB2 GLU A 66 -40.779 53.922 -21.221 1.00 1.21 H new ATOM 0 HB3 GLU A 66 -39.720 52.704 -21.905 1.00 1.21 H new ATOM 0 HG2 GLU A 66 -38.617 52.626 -19.550 1.00 21.13 H new ATOM 0 HG3 GLU A 66 -40.038 53.494 -19.003 1.00 21.13 H new ATOM 945 N ALA A 67 -39.240 55.730 -19.341 1.00 74.12 N ATOM 946 CA ALA A 67 -38.949 56.359 -18.059 1.00 54.14 C ATOM 947 C ALA A 67 -38.176 55.414 -17.146 1.00 23.52 C ATOM 948 O ALA A 67 -38.519 54.239 -17.019 1.00 52.12 O ATOM 949 CB ALA A 67 -40.238 56.808 -17.386 1.00 33.14 C ATOM 0 H ALA A 67 -40.222 55.767 -19.616 1.00 74.12 H new ATOM 0 HA ALA A 67 -38.325 57.233 -18.246 1.00 54.14 H new ATOM 0 HB1 ALA A 67 -40.005 57.276 -16.430 1.00 33.14 H new ATOM 0 HB2 ALA A 67 -40.752 57.526 -18.026 1.00 33.14 H new ATOM 0 HB3 ALA A 67 -40.882 55.944 -17.220 1.00 33.14 H new ATOM 955 N TYR A 68 -37.129 55.933 -16.515 1.00 11.35 N ATOM 956 CA TYR A 68 -36.304 55.134 -15.616 1.00 23.12 C ATOM 957 C TYR A 68 -37.164 54.422 -14.576 1.00 50.34 C ATOM 958 O TYR A 68 -37.644 55.037 -13.624 1.00 55.41 O ATOM 959 CB TYR A 68 -35.268 56.017 -14.919 1.00 3.52 C ATOM 960 CG TYR A 68 -34.004 55.282 -14.536 1.00 32.12 C ATOM 961 CD1 TYR A 68 -32.945 55.169 -15.428 1.00 31.14 C ATOM 962 CD2 TYR A 68 -33.870 54.698 -13.282 1.00 1.12 C ATOM 963 CE1 TYR A 68 -31.789 54.497 -15.081 1.00 52.22 C ATOM 964 CE2 TYR A 68 -32.717 54.025 -12.927 1.00 2.24 C ATOM 965 CZ TYR A 68 -31.679 53.927 -13.830 1.00 50.14 C ATOM 966 OH TYR A 68 -30.529 53.257 -13.480 1.00 61.32 O ATOM 0 H TYR A 68 -36.831 56.904 -16.609 1.00 11.35 H new ATOM 0 HA TYR A 68 -35.788 54.381 -16.212 1.00 23.12 H new ATOM 0 HB2 TYR A 68 -35.010 56.848 -15.576 1.00 3.52 H new ATOM 0 HB3 TYR A 68 -35.714 56.447 -14.022 1.00 3.52 H new ATOM 0 HD1 TYR A 68 -33.027 55.614 -16.409 1.00 31.14 H new ATOM 0 HD2 TYR A 68 -34.681 54.772 -12.573 1.00 1.12 H new ATOM 0 HE1 TYR A 68 -30.975 54.418 -15.786 1.00 52.22 H new ATOM 0 HE2 TYR A 68 -32.629 53.578 -11.948 1.00 2.24 H new ATOM 0 HH TYR A 68 -29.751 53.738 -13.830 1.00 61.32 H new ATOM 976 N HIS A 69 -37.353 53.120 -14.764 1.00 65.15 N ATOM 977 CA HIS A 69 -38.153 52.322 -13.844 1.00 73.31 C ATOM 978 C HIS A 69 -37.428 52.136 -12.515 1.00 1.24 C ATOM 979 O HIS A 69 -37.937 51.481 -11.606 1.00 34.01 O ATOM 980 CB HIS A 69 -38.472 50.959 -14.460 1.00 44.13 C ATOM 981 CG HIS A 69 -37.452 50.498 -15.456 1.00 43.44 C ATOM 982 ND1 HIS A 69 -37.780 49.821 -16.611 1.00 4.41 N ATOM 983 CD2 HIS A 69 -36.104 50.625 -15.464 1.00 32.12 C ATOM 984 CE1 HIS A 69 -36.679 49.549 -17.287 1.00 21.04 C ATOM 985 NE2 HIS A 69 -35.647 50.025 -16.612 1.00 44.00 N ATOM 0 H HIS A 69 -36.962 52.595 -15.546 1.00 65.15 H new ATOM 0 HA HIS A 69 -39.086 52.854 -13.658 1.00 73.31 H new ATOM 0 HB2 HIS A 69 -38.550 50.219 -13.664 1.00 44.13 H new ATOM 0 HB3 HIS A 69 -39.446 51.008 -14.946 1.00 44.13 H new ATOM 0 HD2 HIS A 69 -35.501 51.108 -14.709 1.00 32.12 H new ATOM 0 HE1 HIS A 69 -36.630 49.026 -18.231 1.00 21.04 H new ATOM 0 HE2 HIS A 69 -34.670 49.958 -16.897 1.00 44.00 H new ATOM 993 N GLU A 70 -36.237 52.716 -12.410 1.00 25.23 N ATOM 994 CA GLU A 70 -35.441 52.611 -11.193 1.00 13.54 C ATOM 995 C GLU A 70 -35.283 51.154 -10.768 1.00 61.05 C ATOM 996 O GLU A 70 -35.384 50.826 -9.587 1.00 10.15 O ATOM 997 CB GLU A 70 -36.088 53.416 -10.062 1.00 61.45 C ATOM 998 CG GLU A 70 -35.464 54.785 -9.855 1.00 12.13 C ATOM 999 CD GLU A 70 -35.840 55.400 -8.521 1.00 4.23 C ATOM 1000 OE1 GLU A 70 -36.990 55.868 -8.386 1.00 63.03 O ATOM 1001 OE2 GLU A 70 -34.983 55.417 -7.613 1.00 33.23 O ATOM 0 H GLU A 70 -35.802 53.263 -13.153 1.00 25.23 H new ATOM 0 HA GLU A 70 -34.452 53.019 -11.401 1.00 13.54 H new ATOM 0 HB2 GLU A 70 -37.150 53.539 -10.276 1.00 61.45 H new ATOM 0 HB3 GLU A 70 -36.013 52.848 -9.135 1.00 61.45 H new ATOM 0 HG2 GLU A 70 -34.379 54.699 -9.919 1.00 12.13 H new ATOM 0 HG3 GLU A 70 -35.779 55.450 -10.659 1.00 12.13 H new ATOM 1008 N GLY A 71 -35.036 50.284 -11.742 1.00 31.34 N ATOM 1009 CA GLY A 71 -34.870 48.872 -11.451 1.00 44.12 C ATOM 1010 C GLY A 71 -34.292 48.103 -12.623 1.00 0.21 C ATOM 1011 O GLY A 71 -33.086 48.140 -12.862 1.00 23.31 O ATOM 0 H GLY A 71 -34.948 50.532 -12.728 1.00 31.34 H new ATOM 0 HA2 GLY A 71 -34.216 48.757 -10.587 1.00 44.12 H new ATOM 0 HA3 GLY A 71 -35.835 48.444 -11.180 1.00 44.12 H new ATOM 1015 N GLU A 72 -35.155 47.403 -13.353 1.00 44.32 N ATOM 1016 CA GLU A 72 -34.722 46.619 -14.504 1.00 44.42 C ATOM 1017 C GLU A 72 -35.875 46.399 -15.478 1.00 73.21 C ATOM 1018 O GLU A 72 -36.998 46.159 -15.037 1.00 1.30 O ATOM 1019 CB GLU A 72 -34.158 45.271 -14.049 1.00 54.33 C ATOM 1020 CG GLU A 72 -32.686 45.086 -14.372 1.00 71.33 C ATOM 1021 CD GLU A 72 -32.444 44.786 -15.838 1.00 45.14 C ATOM 1022 OE1 GLU A 72 -32.747 45.660 -16.680 1.00 32.34 O ATOM 1023 OE2 GLU A 72 -31.952 43.681 -16.146 1.00 73.20 O ATOM 0 H GLU A 72 -36.157 47.363 -13.168 1.00 44.32 H new ATOM 0 HA GLU A 72 -33.939 47.177 -15.017 1.00 44.42 H new ATOM 0 HB2 GLU A 72 -34.300 45.172 -12.973 1.00 54.33 H new ATOM 0 HB3 GLU A 72 -34.728 44.471 -14.521 1.00 54.33 H new ATOM 0 HG2 GLU A 72 -32.141 45.988 -14.095 1.00 71.33 H new ATOM 0 HG3 GLU A 72 -32.285 44.273 -13.767 1.00 71.33 H new ATOM 1030 N CYS A 73 -35.576 46.484 -16.765 1.00 53.42 N ATOM 1031 CA CYS A 73 -36.595 46.293 -17.784 1.00 40.10 C ATOM 1032 C CYS A 73 -37.390 45.031 -17.439 1.00 33.12 C ATOM 1033 O CYS A 73 -38.616 45.042 -17.328 1.00 22.23 O ATOM 1034 CB CYS A 73 -35.987 46.218 -19.185 1.00 74.34 C ATOM 1035 SG CYS A 73 -34.826 47.610 -19.438 1.00 72.03 S ATOM 0 H CYS A 73 -34.643 46.683 -17.126 1.00 53.42 H new ATOM 0 HA CYS A 73 -37.266 47.152 -17.796 1.00 40.10 H new ATOM 0 HB2 CYS A 73 -35.465 45.270 -19.314 1.00 74.34 H new ATOM 0 HB3 CYS A 73 -36.777 46.251 -19.936 1.00 74.34 H new ATOM 0 HG CYS A 73 -35.491 48.672 -19.786 1.00 72.03 H new