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 43 GLN : amide:sc= -4.49! C(o=-5.7!,f=-7.3!) USER MOD Set 1.2: A 61 CYS SG : rot 103:sc= -1.75 USER MOD Set 1.3: A 64 CYS SG : rot -162:sc= 0.49 USER MOD Set 1.4: A 69 HIS :FLIP no HE2:sc= 1.24 F(o=-12!,f=-5.7) USER MOD Set 1.5: A 73 CYS SG : rot -85:sc= -1.15! USER MOD Set 2.1: A 28 CYS SG : rot 142:sc= 1.17 USER MOD Set 2.2: A 33 CYS SG : rot 145:sc= -0.331 USER MOD Set 2.3: A 48 CYS SG : rot -159:sc= 1.5 USER MOD Set 2.4: A 56 CYS SG : rot 147:sc= 1.26 USER MOD Single : A 23 MET CE :methyl -116:sc= -0.747 (180deg=-3.63!) 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 27:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -32.964 50.412 -28.903 1.00 51.15 N ATOM 342 CA MET A 23 -32.561 51.095 -27.680 1.00 23.22 C ATOM 343 C MET A 23 -31.452 52.105 -27.960 1.00 4.03 C ATOM 344 O MET A 23 -31.400 53.170 -27.347 1.00 64.11 O ATOM 345 CB MET A 23 -32.090 50.081 -26.636 1.00 11.42 C ATOM 346 CG MET A 23 -30.650 49.637 -26.825 1.00 64.10 C ATOM 347 SD MET A 23 -30.434 48.583 -28.272 1.00 62.23 S ATOM 348 CE MET A 23 -28.861 49.176 -28.893 1.00 3.41 C ATOM 0 HA MET A 23 -33.427 51.631 -27.292 1.00 23.22 H new ATOM 0 HB2 MET A 23 -32.199 50.517 -25.643 1.00 11.42 H new ATOM 0 HB3 MET A 23 -32.739 49.206 -26.673 1.00 11.42 H new ATOM 0 HG2 MET A 23 -30.012 50.516 -26.922 1.00 64.10 H new ATOM 0 HG3 MET A 23 -30.320 49.100 -25.936 1.00 64.10 H new ATOM 0 HE1 MET A 23 -29.003 49.623 -29.877 1.00 3.41 H new ATOM 0 HE2 MET A 23 -28.459 49.924 -28.210 1.00 3.41 H new ATOM 0 HE3 MET A 23 -28.163 48.342 -28.971 1.00 3.41 H new ATOM 358 N GLY A 24 -30.567 51.762 -28.892 1.00 71.02 N ATOM 359 CA GLY A 24 -29.472 52.649 -29.237 1.00 23.14 C ATOM 360 C GLY A 24 -29.906 54.099 -29.324 1.00 24.24 C ATOM 361 O GLY A 24 -29.815 54.842 -28.347 1.00 72.23 O ATOM 0 H GLY A 24 -30.589 50.886 -29.414 1.00 71.02 H new ATOM 0 HA2 GLY A 24 -28.682 52.553 -28.492 1.00 23.14 H new ATOM 0 HA3 GLY A 24 -29.047 52.342 -30.193 1.00 23.14 H new ATOM 365 N GLY A 25 -30.377 54.504 -30.500 1.00 21.25 N ATOM 366 CA GLY A 25 -30.817 55.874 -30.690 1.00 32.22 C ATOM 367 C GLY A 25 -32.107 56.176 -29.953 1.00 22.45 C ATOM 368 O GLY A 25 -33.153 55.603 -30.256 1.00 24.44 O ATOM 0 H GLY A 25 -30.462 53.908 -31.324 1.00 21.25 H new ATOM 0 HA2 GLY A 25 -30.038 56.554 -30.346 1.00 32.22 H new ATOM 0 HA3 GLY A 25 -30.957 56.063 -31.754 1.00 32.22 H new ATOM 372 N VAL A 26 -32.031 57.077 -28.979 1.00 13.43 N ATOM 373 CA VAL A 26 -33.203 57.454 -28.194 1.00 41.34 C ATOM 374 C VAL A 26 -33.513 58.939 -28.351 1.00 71.23 C ATOM 375 O VAL A 26 -32.623 59.746 -28.622 1.00 53.11 O ATOM 376 CB VAL A 26 -33.003 57.137 -26.701 1.00 14.10 C ATOM 377 CG1 VAL A 26 -32.858 55.638 -26.488 1.00 74.01 C ATOM 378 CG2 VAL A 26 -31.794 57.881 -26.154 1.00 63.03 C ATOM 0 H VAL A 26 -31.172 57.559 -28.714 1.00 13.43 H new ATOM 0 HA VAL A 26 -34.041 56.869 -28.572 1.00 41.34 H new ATOM 0 HB VAL A 26 -33.885 57.474 -26.156 1.00 14.10 H new ATOM 0 HG11 VAL A 26 -32.717 55.433 -25.427 1.00 74.01 H new ATOM 0 HG12 VAL A 26 -33.757 55.132 -26.839 1.00 74.01 H new ATOM 0 HG13 VAL A 26 -31.995 55.273 -27.045 1.00 74.01 H new ATOM 0 HG21 VAL A 26 -31.669 57.644 -25.097 1.00 63.03 H new ATOM 0 HG22 VAL A 26 -30.902 57.578 -26.702 1.00 63.03 H new ATOM 0 HG23 VAL A 26 -31.944 58.954 -26.270 1.00 63.03 H new ATOM 388 N LEU A 27 -34.781 59.293 -28.175 1.00 54.44 N ATOM 389 CA LEU A 27 -35.210 60.682 -28.296 1.00 73.04 C ATOM 390 C LEU A 27 -36.249 61.026 -27.232 1.00 21.03 C ATOM 391 O LEU A 27 -36.795 60.117 -26.608 1.00 42.31 O ATOM 392 CB LEU A 27 -35.789 60.939 -29.688 1.00 71.25 C ATOM 393 CG LEU A 27 -36.817 59.923 -30.187 1.00 71.02 C ATOM 394 CD1 LEU A 27 -38.230 60.424 -29.932 1.00 41.02 C ATOM 395 CD2 LEU A 27 -36.609 59.636 -31.667 1.00 74.21 C ATOM 0 H LEU A 27 -35.530 58.638 -27.948 1.00 54.44 H new ATOM 0 HA LEU A 27 -34.338 61.319 -28.148 1.00 73.04 H new ATOM 0 HB2 LEU A 27 -36.253 61.925 -29.690 1.00 71.25 H new ATOM 0 HB3 LEU A 27 -34.965 60.972 -30.401 1.00 71.25 H new ATOM 0 HG LEU A 27 -36.678 58.994 -29.635 1.00 71.02 H new ATOM 0 HD11 LEU A 27 -38.948 59.688 -30.294 1.00 41.02 H new ATOM 0 HD12 LEU A 27 -38.374 60.577 -28.862 1.00 41.02 H new ATOM 0 HD13 LEU A 27 -38.382 61.367 -30.457 1.00 41.02 H new ATOM 0 HD21 LEU A 27 -37.350 58.911 -32.005 1.00 74.21 H new ATOM 0 HD22 LEU A 27 -36.720 60.559 -32.236 1.00 74.21 H new ATOM 0 HD23 LEU A 27 -35.609 59.232 -31.822 1.00 74.21 H new ATOM 407 N CYS A 28 -36.495 62.315 -27.050 1.00 71.33 N ATOM 408 CA CYS A 28 -37.466 62.760 -26.064 1.00 70.31 C ATOM 409 C CYS A 28 -38.816 62.933 -26.763 1.00 64.30 C ATOM 410 O CYS A 28 -38.985 63.709 -27.703 1.00 61.24 O ATOM 411 CB CYS A 28 -37.015 64.044 -25.366 1.00 55.14 C ATOM 412 SG CYS A 28 -36.394 63.662 -23.688 1.00 33.12 S ATOM 0 H CYS A 28 -36.039 63.066 -27.568 1.00 71.33 H new ATOM 0 HA CYS A 28 -37.559 62.011 -25.278 1.00 70.31 H new ATOM 0 HB2 CYS A 28 -36.233 64.529 -25.950 1.00 55.14 H new ATOM 0 HB3 CYS A 28 -37.847 64.745 -25.303 1.00 55.14 H new ATOM 0 HG CYS A 28 -35.366 64.413 -23.424 1.00 33.12 H new ATOM 417 N PRO A 29 -39.807 62.172 -26.275 1.00 53.32 N ATOM 418 CA PRO A 29 -41.168 62.204 -26.818 1.00 55.55 C ATOM 419 C PRO A 29 -41.887 63.514 -26.508 1.00 24.50 C ATOM 420 O PRO A 29 -43.038 63.708 -26.898 1.00 31.10 O ATOM 421 CB PRO A 29 -41.859 61.036 -26.112 1.00 34.45 C ATOM 422 CG PRO A 29 -41.101 60.858 -24.842 1.00 1.12 C ATOM 423 CD PRO A 29 -39.676 61.225 -25.156 1.00 32.33 C ATOM 0 HA PRO A 29 -41.174 62.127 -27.905 1.00 55.55 H new ATOM 0 HB2 PRO A 29 -42.909 61.256 -25.919 1.00 34.45 H new ATOM 0 HB3 PRO A 29 -41.829 60.132 -26.721 1.00 34.45 H new ATOM 0 HG2 PRO A 29 -41.504 61.495 -24.054 1.00 1.12 H new ATOM 0 HG3 PRO A 29 -41.170 59.830 -24.487 1.00 1.12 H new ATOM 0 HD2 PRO A 29 -39.180 61.681 -24.299 1.00 32.33 H new ATOM 0 HD3 PRO A 29 -39.088 60.351 -25.436 1.00 32.33 H new ATOM 431 N ARG A 30 -41.199 64.407 -25.805 1.00 43.31 N ATOM 432 CA ARG A 30 -41.772 65.697 -25.442 1.00 2.34 C ATOM 433 C ARG A 30 -42.311 66.418 -26.674 1.00 52.31 C ATOM 434 O ARG A 30 -41.908 66.151 -27.807 1.00 15.42 O ATOM 435 CB ARG A 30 -40.723 66.568 -24.746 1.00 53.23 C ATOM 436 CG ARG A 30 -40.637 66.337 -23.247 1.00 42.42 C ATOM 437 CD ARG A 30 -39.947 65.020 -22.925 1.00 52.45 C ATOM 438 NE ARG A 30 -40.899 63.988 -22.521 1.00 52.22 N ATOM 439 CZ ARG A 30 -41.341 63.843 -21.277 1.00 51.14 C ATOM 440 NH1 ARG A 30 -40.921 64.659 -20.321 1.00 25.23 N ATOM 441 NH2 ARG A 30 -42.207 62.879 -20.989 1.00 4.24 N ATOM 0 H ARG A 30 -40.245 64.261 -25.476 1.00 43.31 H new ATOM 0 HA ARG A 30 -42.599 65.519 -24.755 1.00 2.34 H new ATOM 0 HB2 ARG A 30 -39.748 66.373 -25.192 1.00 53.23 H new ATOM 0 HB3 ARG A 30 -40.954 67.617 -24.931 1.00 53.23 H new ATOM 0 HG2 ARG A 30 -40.091 67.158 -22.782 1.00 42.42 H new ATOM 0 HG3 ARG A 30 -41.640 66.338 -22.819 1.00 42.42 H new ATOM 0 HD2 ARG A 30 -39.391 64.679 -23.798 1.00 52.45 H new ATOM 0 HD3 ARG A 30 -39.221 65.176 -22.127 1.00 52.45 H new ATOM 0 HE ARG A 30 -41.243 63.344 -23.233 1.00 52.22 H new ATOM 0 HH11 ARG A 30 -40.256 65.401 -20.540 1.00 25.23 H new ATOM 0 HH12 ARG A 30 -41.262 64.545 -19.367 1.00 25.23 H new ATOM 0 HH21 ARG A 30 -42.533 62.250 -21.723 1.00 4.24 H new ATOM 0 HH22 ARG A 30 -42.547 62.767 -20.034 1.00 4.24 H new ATOM 455 N PRO A 31 -43.245 67.355 -26.451 1.00 4.22 N ATOM 456 CA PRO A 31 -43.859 68.134 -27.529 1.00 1.25 C ATOM 457 C PRO A 31 -42.883 69.119 -28.162 1.00 4.24 C ATOM 458 O PRO A 31 -43.153 69.685 -29.220 1.00 54.13 O ATOM 459 CB PRO A 31 -44.993 68.884 -26.825 1.00 33.12 C ATOM 460 CG PRO A 31 -44.559 68.979 -25.403 1.00 41.11 C ATOM 461 CD PRO A 31 -43.771 67.727 -25.127 1.00 15.24 C ATOM 0 HA PRO A 31 -44.194 67.499 -28.349 1.00 1.25 H new ATOM 0 HB2 PRO A 31 -45.144 69.872 -27.260 1.00 33.12 H new ATOM 0 HB3 PRO A 31 -45.938 68.348 -26.916 1.00 33.12 H new ATOM 0 HG2 PRO A 31 -43.950 69.868 -25.239 1.00 41.11 H new ATOM 0 HG3 PRO A 31 -45.418 69.054 -24.737 1.00 41.11 H new ATOM 0 HD2 PRO A 31 -42.968 67.907 -24.412 1.00 15.24 H new ATOM 0 HD3 PRO A 31 -44.400 66.941 -24.709 1.00 15.24 H new ATOM 469 N GLY A 32 -41.743 69.320 -27.507 1.00 31.22 N ATOM 470 CA GLY A 32 -40.743 70.238 -28.021 1.00 11.00 C ATOM 471 C GLY A 32 -39.394 70.058 -27.352 1.00 60.24 C ATOM 472 O GLY A 32 -38.871 71.020 -26.792 1.00 44.23 O ATOM 0 H GLY A 32 -41.494 68.863 -26.630 1.00 31.22 H new ATOM 0 HA2 GLY A 32 -40.635 70.089 -29.095 1.00 11.00 H new ATOM 0 HA3 GLY A 32 -41.085 71.263 -27.874 1.00 11.00 H new ATOM 476 N CYS A 33 -38.860 68.847 -27.421 1.00 12.44 N ATOM 477 CA CYS A 33 -37.571 68.563 -26.813 1.00 10.11 C ATOM 478 C CYS A 33 -36.601 68.142 -27.918 1.00 53.44 C ATOM 479 O CYS A 33 -35.419 68.479 -27.913 1.00 33.31 O ATOM 480 CB CYS A 33 -37.685 67.501 -25.718 1.00 20.32 C ATOM 481 SG CYS A 33 -36.055 67.246 -24.923 1.00 34.04 S ATOM 0 H CYS A 33 -39.296 68.052 -27.888 1.00 12.44 H new ATOM 0 HA CYS A 33 -37.192 69.459 -26.321 1.00 10.11 H new ATOM 0 HB2 CYS A 33 -38.418 67.812 -24.973 1.00 20.32 H new ATOM 0 HB3 CYS A 33 -38.042 66.564 -26.145 1.00 20.32 H new ATOM 0 HG CYS A 33 -36.223 67.005 -23.657 1.00 34.04 H new ATOM 486 N GLY A 34 -37.134 67.389 -28.876 1.00 71.24 N ATOM 487 CA GLY A 34 -36.326 66.919 -29.986 1.00 40.43 C ATOM 488 C GLY A 34 -34.905 66.593 -29.571 1.00 41.13 C ATOM 489 O GLY A 34 -33.955 66.913 -30.285 1.00 4.13 O ATOM 0 H GLY A 34 -38.111 67.096 -28.903 1.00 71.24 H new ATOM 0 HA2 GLY A 34 -36.788 66.031 -30.417 1.00 40.43 H new ATOM 0 HA3 GLY A 34 -36.308 67.680 -30.766 1.00 40.43 H new ATOM 493 N ALA A 35 -34.759 65.955 -28.415 1.00 43.44 N ATOM 494 CA ALA A 35 -33.444 65.586 -27.907 1.00 61.30 C ATOM 495 C ALA A 35 -32.708 64.684 -28.893 1.00 11.35 C ATOM 496 O ALA A 35 -31.595 64.992 -29.317 1.00 21.31 O ATOM 497 CB ALA A 35 -33.575 64.896 -26.556 1.00 44.43 C ATOM 0 H ALA A 35 -35.536 65.683 -27.812 1.00 43.44 H new ATOM 0 HA ALA A 35 -32.861 66.498 -27.783 1.00 61.30 H new ATOM 0 HB1 ALA A 35 -32.585 64.626 -26.188 1.00 44.43 H new ATOM 0 HB2 ALA A 35 -34.054 65.572 -25.847 1.00 44.43 H new ATOM 0 HB3 ALA A 35 -34.180 63.996 -26.664 1.00 44.43 H new ATOM 503 N GLY A 36 -33.338 63.570 -29.254 1.00 22.11 N ATOM 504 CA GLY A 36 -32.726 62.642 -30.186 1.00 34.43 C ATOM 505 C GLY A 36 -31.213 62.621 -30.076 1.00 34.41 C ATOM 506 O GLY A 36 -30.514 63.163 -30.932 1.00 51.11 O ATOM 0 H GLY A 36 -34.261 63.294 -28.918 1.00 22.11 H new ATOM 0 HA2 GLY A 36 -33.114 61.640 -30.004 1.00 34.43 H new ATOM 0 HA3 GLY A 36 -33.009 62.913 -31.203 1.00 34.43 H new ATOM 510 N LEU A 37 -30.708 61.994 -29.020 1.00 42.10 N ATOM 511 CA LEU A 37 -29.269 61.905 -28.800 1.00 52.00 C ATOM 512 C LEU A 37 -28.870 60.500 -28.359 1.00 34.00 C ATOM 513 O LEU A 37 -29.673 59.770 -27.774 1.00 72.35 O ATOM 514 CB LEU A 37 -28.830 62.925 -27.748 1.00 15.04 C ATOM 515 CG LEU A 37 -29.815 63.176 -26.604 1.00 71.44 C ATOM 516 CD1 LEU A 37 -29.788 62.021 -25.614 1.00 51.30 C ATOM 517 CD2 LEU A 37 -29.495 64.489 -25.904 1.00 63.14 C ATOM 0 H LEU A 37 -31.273 61.540 -28.303 1.00 42.10 H new ATOM 0 HA LEU A 37 -28.769 62.125 -29.743 1.00 52.00 H new ATOM 0 HB2 LEU A 37 -27.884 62.592 -27.320 1.00 15.04 H new ATOM 0 HB3 LEU A 37 -28.637 63.874 -28.249 1.00 15.04 H new ATOM 0 HG LEU A 37 -30.819 63.246 -27.022 1.00 71.44 H new ATOM 0 HD11 LEU A 37 -30.494 62.217 -24.807 1.00 51.30 H new ATOM 0 HD12 LEU A 37 -30.066 61.098 -26.124 1.00 51.30 H new ATOM 0 HD13 LEU A 37 -28.785 61.919 -25.201 1.00 51.30 H new ATOM 0 HD21 LEU A 37 -30.205 64.652 -25.093 1.00 63.14 H new ATOM 0 HD22 LEU A 37 -28.484 64.448 -25.498 1.00 63.14 H new ATOM 0 HD23 LEU A 37 -29.566 65.309 -26.619 1.00 63.14 H new ATOM 529 N LEU A 38 -27.627 60.128 -28.640 1.00 64.45 N ATOM 530 CA LEU A 38 -27.121 58.810 -28.271 1.00 61.34 C ATOM 531 C LEU A 38 -26.325 58.877 -26.971 1.00 32.22 C ATOM 532 O LEU A 38 -25.169 59.298 -26.944 1.00 24.42 O ATOM 533 CB LEU A 38 -26.244 58.246 -29.390 1.00 3.12 C ATOM 534 CG LEU A 38 -26.103 56.724 -29.432 1.00 3.12 C ATOM 535 CD1 LEU A 38 -27.058 56.127 -30.453 1.00 70.25 C ATOM 536 CD2 LEU A 38 -24.667 56.330 -29.747 1.00 75.43 C ATOM 0 H LEU A 38 -26.950 60.720 -29.122 1.00 64.45 H new ATOM 0 HA LEU A 38 -27.975 58.150 -28.120 1.00 61.34 H new ATOM 0 HB2 LEU A 38 -26.650 58.579 -30.345 1.00 3.12 H new ATOM 0 HB3 LEU A 38 -25.249 58.680 -29.298 1.00 3.12 H new ATOM 0 HG LEU A 38 -26.360 56.327 -28.450 1.00 3.12 H new ATOM 0 HD11 LEU A 38 -26.943 55.043 -30.469 1.00 70.25 H new ATOM 0 HD12 LEU A 38 -28.083 56.379 -30.183 1.00 70.25 H new ATOM 0 HD13 LEU A 38 -26.833 56.530 -31.441 1.00 70.25 H new ATOM 0 HD21 LEU A 38 -24.585 55.243 -29.773 1.00 75.43 H new ATOM 0 HD22 LEU A 38 -24.382 56.739 -30.716 1.00 75.43 H new ATOM 0 HD23 LEU A 38 -24.004 56.726 -28.977 1.00 75.43 H new ATOM 548 N PRO A 39 -26.957 58.450 -25.868 1.00 53.51 N ATOM 549 CA PRO A 39 -26.326 58.450 -24.544 1.00 71.42 C ATOM 550 C PRO A 39 -25.218 57.408 -24.431 1.00 40.44 C ATOM 551 O PRO A 39 -24.880 56.740 -25.407 1.00 53.24 O ATOM 552 CB PRO A 39 -27.481 58.107 -23.601 1.00 61.33 C ATOM 553 CG PRO A 39 -28.450 57.353 -24.446 1.00 73.21 C ATOM 554 CD PRO A 39 -28.336 57.936 -25.827 1.00 51.45 C ATOM 0 HA PRO A 39 -25.845 59.402 -24.321 1.00 71.42 H new ATOM 0 HB2 PRO A 39 -27.139 57.506 -22.759 1.00 61.33 H new ATOM 0 HB3 PRO A 39 -27.934 59.007 -23.187 1.00 61.33 H new ATOM 0 HG2 PRO A 39 -28.217 56.288 -24.451 1.00 73.21 H new ATOM 0 HG3 PRO A 39 -29.465 57.455 -24.062 1.00 73.21 H new ATOM 0 HD2 PRO A 39 -28.507 57.183 -26.596 1.00 51.45 H new ATOM 0 HD3 PRO A 39 -29.065 58.729 -25.990 1.00 51.45 H new ATOM 562 N GLU A 40 -24.658 57.276 -23.233 1.00 44.11 N ATOM 563 CA GLU A 40 -23.586 56.314 -22.994 1.00 54.15 C ATOM 564 C GLU A 40 -24.022 54.906 -23.388 1.00 33.44 C ATOM 565 O GLU A 40 -25.211 54.605 -23.497 1.00 52.42 O ATOM 566 CB GLU A 40 -23.169 56.339 -21.523 1.00 50.13 C ATOM 567 CG GLU A 40 -22.170 57.436 -21.192 1.00 34.34 C ATOM 568 CD GLU A 40 -20.782 57.142 -21.728 1.00 31.35 C ATOM 569 OE1 GLU A 40 -20.651 56.936 -22.951 1.00 51.24 O ATOM 570 OE2 GLU A 40 -19.828 57.116 -20.922 1.00 15.25 O ATOM 0 H GLU A 40 -24.927 57.821 -22.414 1.00 44.11 H new ATOM 0 HA GLU A 40 -22.733 56.597 -23.611 1.00 54.15 H new ATOM 0 HB2 GLU A 40 -24.057 56.469 -20.904 1.00 50.13 H new ATOM 0 HB3 GLU A 40 -22.736 55.374 -21.260 1.00 50.13 H new ATOM 0 HG2 GLU A 40 -22.523 58.381 -21.606 1.00 34.34 H new ATOM 0 HG3 GLU A 40 -22.119 57.561 -20.110 1.00 34.34 H new ATOM 577 N PRO A 41 -23.039 54.021 -23.605 1.00 44.22 N ATOM 578 CA PRO A 41 -23.295 52.630 -23.989 1.00 63.02 C ATOM 579 C PRO A 41 -23.906 51.818 -22.852 1.00 33.42 C ATOM 580 O PRO A 41 -24.075 50.604 -22.964 1.00 45.01 O ATOM 581 CB PRO A 41 -21.903 52.097 -24.340 1.00 13.14 C ATOM 582 CG PRO A 41 -20.963 52.949 -23.560 1.00 14.23 C ATOM 583 CD PRO A 41 -21.599 54.311 -23.492 1.00 21.31 C ATOM 0 HA PRO A 41 -24.012 52.558 -24.807 1.00 63.02 H new ATOM 0 HB2 PRO A 41 -21.802 51.046 -24.070 1.00 13.14 H new ATOM 0 HB3 PRO A 41 -21.709 52.171 -25.410 1.00 13.14 H new ATOM 0 HG2 PRO A 41 -20.804 52.542 -22.561 1.00 14.23 H new ATOM 0 HG3 PRO A 41 -19.987 52.997 -24.043 1.00 14.23 H new ATOM 0 HD2 PRO A 41 -21.363 54.818 -22.556 1.00 21.31 H new ATOM 0 HD3 PRO A 41 -21.254 54.956 -24.300 1.00 21.31 H new ATOM 591 N ASP A 42 -24.236 52.496 -21.758 1.00 41.01 N ATOM 592 CA ASP A 42 -24.831 51.837 -20.601 1.00 64.23 C ATOM 593 C ASP A 42 -26.072 52.587 -20.128 1.00 32.11 C ATOM 594 O ASP A 42 -25.972 53.627 -19.479 1.00 5.44 O ATOM 595 CB ASP A 42 -23.813 51.742 -19.463 1.00 61.25 C ATOM 596 CG ASP A 42 -22.946 52.981 -19.357 1.00 0.22 C ATOM 597 OD1 ASP A 42 -23.460 54.028 -18.910 1.00 43.14 O ATOM 598 OD2 ASP A 42 -21.754 52.903 -19.719 1.00 1.12 O ATOM 0 H ASP A 42 -24.102 53.501 -21.648 1.00 41.01 H new ATOM 0 HA ASP A 42 -25.127 50.831 -20.898 1.00 64.23 H new ATOM 0 HB2 ASP A 42 -24.339 51.588 -18.521 1.00 61.25 H new ATOM 0 HB3 ASP A 42 -23.178 50.870 -19.619 1.00 61.25 H new ATOM 603 N GLN A 43 -27.243 52.050 -20.457 1.00 65.33 N ATOM 604 CA GLN A 43 -28.503 52.668 -20.069 1.00 10.25 C ATOM 605 C GLN A 43 -28.530 52.955 -18.570 1.00 62.24 C ATOM 606 O GLN A 43 -29.352 53.736 -18.092 1.00 53.02 O ATOM 607 CB GLN A 43 -29.678 51.765 -20.447 1.00 53.22 C ATOM 608 CG GLN A 43 -29.490 50.315 -20.031 1.00 50.30 C ATOM 609 CD GLN A 43 -30.269 49.961 -18.780 1.00 51.23 C ATOM 610 OE1 GLN A 43 -31.336 49.351 -18.852 1.00 61.24 O ATOM 611 NE2 GLN A 43 -29.739 50.342 -17.625 1.00 54.23 N ATOM 0 H GLN A 43 -27.344 51.187 -20.992 1.00 65.33 H new ATOM 0 HA GLN A 43 -28.594 53.613 -20.604 1.00 10.25 H new ATOM 0 HB2 GLN A 43 -30.586 52.152 -19.985 1.00 53.22 H new ATOM 0 HB3 GLN A 43 -29.826 51.808 -21.526 1.00 53.22 H new ATOM 0 HG2 GLN A 43 -29.804 49.663 -20.846 1.00 50.30 H new ATOM 0 HG3 GLN A 43 -28.430 50.124 -19.861 1.00 50.30 H new ATOM 0 HE21 GLN A 43 -28.852 50.846 -17.612 1.00 54.23 H new ATOM 0 HE22 GLN A 43 -30.218 50.131 -16.750 1.00 54.23 H new ATOM 620 N ARG A 44 -27.625 52.317 -17.835 1.00 64.44 N ATOM 621 CA ARG A 44 -27.545 52.501 -16.391 1.00 42.25 C ATOM 622 C ARG A 44 -27.936 53.924 -16.003 1.00 53.53 C ATOM 623 O ARG A 44 -28.627 54.139 -15.008 1.00 52.34 O ATOM 624 CB ARG A 44 -26.131 52.197 -15.895 1.00 24.32 C ATOM 625 CG ARG A 44 -25.952 50.770 -15.403 1.00 24.10 C ATOM 626 CD ARG A 44 -24.505 50.318 -15.516 1.00 45.43 C ATOM 627 NE ARG A 44 -24.092 49.509 -14.373 1.00 4.45 N ATOM 628 CZ ARG A 44 -23.700 50.025 -13.212 1.00 35.12 C ATOM 629 NH1 ARG A 44 -23.669 51.339 -13.043 1.00 21.33 N ATOM 630 NH2 ARG A 44 -23.340 49.223 -12.217 1.00 52.03 N ATOM 0 H ARG A 44 -26.937 51.668 -18.216 1.00 64.44 H new ATOM 0 HA ARG A 44 -28.244 51.809 -15.922 1.00 42.25 H new ATOM 0 HB2 ARG A 44 -25.423 52.385 -16.702 1.00 24.32 H new ATOM 0 HB3 ARG A 44 -25.883 52.885 -15.087 1.00 24.32 H new ATOM 0 HG2 ARG A 44 -26.276 50.699 -14.365 1.00 24.10 H new ATOM 0 HG3 ARG A 44 -26.589 50.102 -15.982 1.00 24.10 H new ATOM 0 HD2 ARG A 44 -24.376 49.742 -16.433 1.00 45.43 H new ATOM 0 HD3 ARG A 44 -23.858 51.192 -15.594 1.00 45.43 H new ATOM 0 HE ARG A 44 -24.105 48.494 -14.470 1.00 4.45 H new ATOM 0 HH11 ARG A 44 -23.946 51.958 -13.805 1.00 21.33 H new ATOM 0 HH12 ARG A 44 -23.368 51.732 -12.151 1.00 21.33 H new ATOM 0 HH21 ARG A 44 -23.364 48.211 -12.343 1.00 52.03 H new ATOM 0 HH22 ARG A 44 -23.039 49.619 -11.326 1.00 52.03 H new ATOM 644 N LYS A 45 -27.489 54.893 -16.796 1.00 33.11 N ATOM 645 CA LYS A 45 -27.793 56.295 -16.537 1.00 13.34 C ATOM 646 C LYS A 45 -27.793 57.099 -17.833 1.00 12.22 C ATOM 647 O LYS A 45 -26.738 57.448 -18.360 1.00 74.41 O ATOM 648 CB LYS A 45 -26.775 56.886 -15.557 1.00 50.44 C ATOM 649 CG LYS A 45 -26.966 58.372 -15.306 1.00 4.02 C ATOM 650 CD LYS A 45 -26.615 58.745 -13.876 1.00 53.12 C ATOM 651 CE LYS A 45 -27.861 59.040 -13.055 1.00 54.11 C ATOM 652 NZ LYS A 45 -27.650 60.175 -12.116 1.00 21.23 N ATOM 0 H LYS A 45 -26.915 54.732 -17.624 1.00 33.11 H new ATOM 0 HA LYS A 45 -28.788 56.351 -16.095 1.00 13.34 H new ATOM 0 HB2 LYS A 45 -26.845 56.354 -14.608 1.00 50.44 H new ATOM 0 HB3 LYS A 45 -25.770 56.717 -15.944 1.00 50.44 H new ATOM 0 HG2 LYS A 45 -26.342 58.941 -15.995 1.00 4.02 H new ATOM 0 HG3 LYS A 45 -28.001 58.647 -15.511 1.00 4.02 H new ATOM 0 HD2 LYS A 45 -26.057 57.931 -13.413 1.00 53.12 H new ATOM 0 HD3 LYS A 45 -25.963 59.618 -13.876 1.00 53.12 H new ATOM 0 HE2 LYS A 45 -28.690 59.271 -13.724 1.00 54.11 H new ATOM 0 HE3 LYS A 45 -28.144 58.151 -12.492 1.00 54.11 H new ATOM 0 HZ1 LYS A 45 -28.522 60.345 -11.575 1.00 21.23 H new ATOM 0 HZ2 LYS A 45 -26.876 59.945 -11.461 1.00 21.23 H new ATOM 0 HZ3 LYS A 45 -27.405 61.030 -12.655 1.00 21.23 H new ATOM 666 N VAL A 46 -28.986 57.394 -18.340 1.00 41.23 N ATOM 667 CA VAL A 46 -29.126 58.161 -19.573 1.00 22.43 C ATOM 668 C VAL A 46 -29.794 59.505 -19.311 1.00 11.14 C ATOM 669 O VAL A 46 -30.983 59.571 -18.994 1.00 63.05 O ATOM 670 CB VAL A 46 -29.944 57.388 -20.625 1.00 3.04 C ATOM 671 CG1 VAL A 46 -30.464 58.335 -21.696 1.00 33.13 C ATOM 672 CG2 VAL A 46 -29.106 56.279 -21.242 1.00 62.44 C ATOM 0 H VAL A 46 -29.870 57.113 -17.916 1.00 41.23 H new ATOM 0 HA VAL A 46 -28.120 58.328 -19.958 1.00 22.43 H new ATOM 0 HB VAL A 46 -30.801 56.931 -20.131 1.00 3.04 H new ATOM 0 HG11 VAL A 46 -31.040 57.772 -22.431 1.00 33.13 H new ATOM 0 HG12 VAL A 46 -31.102 59.090 -21.236 1.00 33.13 H new ATOM 0 HG13 VAL A 46 -29.623 58.823 -22.190 1.00 33.13 H new ATOM 0 HG21 VAL A 46 -29.700 55.743 -21.983 1.00 62.44 H new ATOM 0 HG22 VAL A 46 -28.229 56.711 -21.724 1.00 62.44 H new ATOM 0 HG23 VAL A 46 -28.788 55.587 -20.462 1.00 62.44 H new ATOM 682 N THR A 47 -29.022 60.580 -19.446 1.00 32.01 N ATOM 683 CA THR A 47 -29.539 61.924 -19.225 1.00 2.12 C ATOM 684 C THR A 47 -29.926 62.589 -20.541 1.00 31.21 C ATOM 685 O THR A 47 -29.110 62.623 -21.461 1.00 14.25 O ATOM 686 CB THR A 47 -28.508 62.810 -18.500 1.00 12.01 C ATOM 687 OG1 THR A 47 -28.008 62.131 -17.340 1.00 52.43 O ATOM 688 CG2 THR A 47 -29.128 64.136 -18.089 1.00 2.11 C ATOM 0 H THR A 47 -28.037 60.545 -19.707 1.00 32.01 H new ATOM 0 HA THR A 47 -30.425 61.822 -18.599 1.00 2.12 H new ATOM 0 HB THR A 47 -27.686 63.009 -19.187 1.00 12.01 H new ATOM 0 HG1 THR A 47 -27.352 62.700 -16.885 1.00 52.43 H new ATOM 0 HG21 THR A 47 -28.381 64.744 -17.579 1.00 2.11 H new ATOM 0 HG22 THR A 47 -29.481 64.663 -18.975 1.00 2.11 H new ATOM 0 HG23 THR A 47 -29.967 63.953 -17.417 1.00 2.11 H new ATOM 696 N CYS A 48 -31.148 63.096 -20.603 1.00 51.44 N ATOM 697 CA CYS A 48 -31.626 63.753 -21.807 1.00 1.40 C ATOM 698 C CYS A 48 -30.831 65.047 -21.996 1.00 61.01 C ATOM 699 O CYS A 48 -30.543 65.478 -23.112 1.00 24.44 O ATOM 700 CB CYS A 48 -33.133 64.013 -21.751 1.00 70.14 C ATOM 701 SG CYS A 48 -33.531 65.576 -22.615 1.00 73.22 S ATOM 0 H CYS A 48 -31.822 63.065 -19.838 1.00 51.44 H new ATOM 0 HA CYS A 48 -31.468 63.101 -22.666 1.00 1.40 H new ATOM 0 HB2 CYS A 48 -33.671 63.185 -22.213 1.00 70.14 H new ATOM 0 HB3 CYS A 48 -33.463 64.067 -20.713 1.00 70.14 H new ATOM 0 HG CYS A 48 -34.680 66.021 -22.200 1.00 73.22 H new ATOM 706 N GLU A 49 -30.480 65.661 -20.870 1.00 1.13 N ATOM 707 CA GLU A 49 -29.720 66.905 -20.883 1.00 13.53 C ATOM 708 C GLU A 49 -28.340 66.693 -21.499 1.00 62.41 C ATOM 709 O GLU A 49 -27.946 67.400 -22.425 1.00 12.24 O ATOM 710 CB GLU A 49 -29.578 67.456 -19.463 1.00 12.41 C ATOM 711 CG GLU A 49 -28.260 68.171 -19.217 1.00 13.42 C ATOM 712 CD GLU A 49 -28.419 69.408 -18.352 1.00 15.12 C ATOM 713 OE1 GLU A 49 -29.223 69.363 -17.397 1.00 53.11 O ATOM 714 OE2 GLU A 49 -27.742 70.418 -18.630 1.00 10.13 O ATOM 0 H GLU A 49 -30.710 65.317 -19.938 1.00 1.13 H new ATOM 0 HA GLU A 49 -30.264 67.627 -21.492 1.00 13.53 H new ATOM 0 HB2 GLU A 49 -30.398 68.146 -19.266 1.00 12.41 H new ATOM 0 HB3 GLU A 49 -29.675 66.635 -18.752 1.00 12.41 H new ATOM 0 HG2 GLU A 49 -27.562 67.484 -18.738 1.00 13.42 H new ATOM 0 HG3 GLU A 49 -27.821 68.455 -20.173 1.00 13.42 H new ATOM 775 N GLY A 55 -32.282 70.364 -21.301 1.00 3.10 N ATOM 776 CA GLY A 55 -32.199 69.406 -20.215 1.00 11.25 C ATOM 777 C GLY A 55 -33.544 69.149 -19.563 1.00 61.10 C ATOM 778 O GLY A 55 -34.096 70.062 -18.951 1.00 51.11 O ATOM 0 HA2 GLY A 55 -31.797 68.466 -20.594 1.00 11.25 H new ATOM 0 HA3 GLY A 55 -31.499 69.773 -19.464 1.00 11.25 H new ATOM 782 N CYS A 56 -34.043 67.931 -19.705 1.00 61.01 N ATOM 783 CA CYS A 56 -35.326 67.576 -19.124 1.00 61.22 C ATOM 784 C CYS A 56 -35.168 67.528 -17.604 1.00 13.15 C ATOM 785 O CYS A 56 -36.027 67.973 -16.843 1.00 73.13 O ATOM 786 CB CYS A 56 -35.854 66.254 -19.685 1.00 74.12 C ATOM 787 SG CYS A 56 -36.759 66.553 -21.246 1.00 55.40 S ATOM 0 H CYS A 56 -33.582 67.177 -20.214 1.00 61.01 H new ATOM 0 HA CYS A 56 -36.068 68.329 -19.387 1.00 61.22 H new ATOM 0 HB2 CYS A 56 -35.026 65.568 -19.861 1.00 74.12 H new ATOM 0 HB3 CYS A 56 -36.513 65.779 -18.958 1.00 74.12 H new ATOM 0 HG CYS A 56 -36.598 65.538 -22.042 1.00 55.40 H new ATOM 792 N GLY A 57 -34.039 66.974 -17.173 1.00 71.13 N ATOM 793 CA GLY A 57 -33.760 66.864 -15.753 1.00 13.22 C ATOM 794 C GLY A 57 -34.171 65.521 -15.184 1.00 55.30 C ATOM 795 O GLY A 57 -34.083 65.297 -13.976 1.00 41.54 O ATOM 0 H GLY A 57 -33.312 66.599 -17.782 1.00 71.13 H new ATOM 0 HA2 GLY A 57 -32.694 67.017 -15.582 1.00 13.22 H new ATOM 0 HA3 GLY A 57 -34.285 67.657 -15.220 1.00 13.22 H new ATOM 799 N PHE A 58 -34.623 64.624 -16.053 1.00 54.35 N ATOM 800 CA PHE A 58 -35.052 63.296 -15.631 1.00 21.44 C ATOM 801 C PHE A 58 -34.532 62.227 -16.586 1.00 65.35 C ATOM 802 O PHE A 58 -35.074 62.037 -17.675 1.00 63.44 O ATOM 803 CB PHE A 58 -36.578 63.230 -15.554 1.00 30.51 C ATOM 804 CG PHE A 58 -37.094 61.943 -14.977 1.00 30.23 C ATOM 805 CD1 PHE A 58 -37.108 60.784 -15.737 1.00 13.51 C ATOM 806 CD2 PHE A 58 -37.565 61.891 -13.675 1.00 54.11 C ATOM 807 CE1 PHE A 58 -37.582 59.597 -15.209 1.00 44.10 C ATOM 808 CE2 PHE A 58 -38.040 60.708 -13.142 1.00 72.34 C ATOM 809 CZ PHE A 58 -38.049 59.559 -13.911 1.00 13.15 C ATOM 0 H PHE A 58 -34.702 64.793 -17.056 1.00 54.35 H new ATOM 0 HA PHE A 58 -34.637 63.105 -14.641 1.00 21.44 H new ATOM 0 HB2 PHE A 58 -36.940 64.061 -14.948 1.00 30.51 H new ATOM 0 HB3 PHE A 58 -36.990 63.361 -16.554 1.00 30.51 H new ATOM 0 HD1 PHE A 58 -36.744 60.808 -16.754 1.00 13.51 H new ATOM 0 HD2 PHE A 58 -37.561 62.785 -13.070 1.00 54.11 H new ATOM 0 HE1 PHE A 58 -37.587 58.701 -15.812 1.00 44.10 H new ATOM 0 HE2 PHE A 58 -38.404 60.681 -12.126 1.00 72.34 H new ATOM 0 HZ PHE A 58 -38.421 58.634 -13.497 1.00 13.15 H new ATOM 819 N ALA A 59 -33.478 61.532 -16.172 1.00 33.43 N ATOM 820 CA ALA A 59 -32.886 60.480 -16.990 1.00 14.22 C ATOM 821 C ALA A 59 -33.908 59.397 -17.316 1.00 11.11 C ATOM 822 O ALA A 59 -34.970 59.323 -16.695 1.00 0.04 O ATOM 823 CB ALA A 59 -31.681 59.876 -16.283 1.00 51.01 C ATOM 0 H ALA A 59 -33.016 61.678 -15.274 1.00 33.43 H new ATOM 0 HA ALA A 59 -32.557 60.926 -17.928 1.00 14.22 H new ATOM 0 HB1 ALA A 59 -31.249 59.092 -16.905 1.00 51.01 H new ATOM 0 HB2 ALA A 59 -30.936 60.652 -16.107 1.00 51.01 H new ATOM 0 HB3 ALA A 59 -31.994 59.451 -15.329 1.00 51.01 H new ATOM 829 N PHE A 60 -33.584 58.557 -18.294 1.00 1.31 N ATOM 830 CA PHE A 60 -34.476 57.479 -18.703 1.00 64.01 C ATOM 831 C PHE A 60 -33.685 56.214 -19.028 1.00 35.45 C ATOM 832 O PHE A 60 -32.459 56.227 -18.927 1.00 61.44 O ATOM 833 CB PHE A 60 -35.300 57.904 -19.919 1.00 53.23 C ATOM 834 CG PHE A 60 -34.471 58.464 -21.039 1.00 14.51 C ATOM 835 CD1 PHE A 60 -33.790 59.660 -20.884 1.00 15.30 C ATOM 836 CD2 PHE A 60 -34.376 57.796 -22.249 1.00 64.33 C ATOM 837 CE1 PHE A 60 -33.027 60.179 -21.912 1.00 64.44 C ATOM 838 CE2 PHE A 60 -33.613 58.309 -23.281 1.00 71.03 C ATOM 839 CZ PHE A 60 -32.939 59.503 -23.113 1.00 34.12 C ATOM 0 H PHE A 60 -32.710 58.603 -18.818 1.00 1.31 H new ATOM 0 HA PHE A 60 -35.150 57.264 -17.874 1.00 64.01 H new ATOM 0 HB2 PHE A 60 -35.860 57.044 -20.287 1.00 53.23 H new ATOM 0 HB3 PHE A 60 -36.031 58.651 -19.610 1.00 53.23 H new ATOM 0 HD1 PHE A 60 -33.856 60.194 -19.947 1.00 15.30 H new ATOM 0 HD2 PHE A 60 -34.904 56.864 -22.387 1.00 64.33 H new ATOM 0 HE1 PHE A 60 -32.500 61.112 -21.777 1.00 64.44 H new ATOM 0 HE2 PHE A 60 -33.544 57.777 -24.218 1.00 71.03 H new ATOM 0 HZ PHE A 60 -32.345 59.907 -23.919 1.00 34.12 H new ATOM 849 N CYS A 61 -34.395 55.161 -19.405 1.00 15.22 N ATOM 850 CA CYS A 61 -33.751 53.903 -19.738 1.00 73.32 C ATOM 851 C CYS A 61 -33.822 53.713 -21.254 1.00 54.33 C ATOM 852 O CYS A 61 -34.896 53.629 -21.851 1.00 22.02 O ATOM 853 CB CYS A 61 -34.380 52.729 -18.986 1.00 34.45 C ATOM 854 SG CYS A 61 -33.555 51.165 -19.462 1.00 43.44 S ATOM 0 H CYS A 61 -35.412 55.154 -19.487 1.00 15.22 H new ATOM 0 HA CYS A 61 -32.707 53.932 -19.425 1.00 73.32 H new ATOM 0 HB2 CYS A 61 -34.289 52.885 -17.911 1.00 34.45 H new ATOM 0 HB3 CYS A 61 -35.445 52.671 -19.211 1.00 34.45 H new ATOM 0 HG CYS A 61 -32.731 50.806 -18.523 1.00 43.44 H new ATOM 859 N ARG A 62 -32.646 53.649 -21.868 1.00 61.41 N ATOM 860 CA ARG A 62 -32.546 53.470 -23.311 1.00 41.12 C ATOM 861 C ARG A 62 -33.011 52.075 -23.721 1.00 41.34 C ATOM 862 O ARG A 62 -33.639 51.903 -24.765 1.00 53.24 O ATOM 863 CB ARG A 62 -31.107 53.696 -23.777 1.00 63.21 C ATOM 864 CG ARG A 62 -30.536 52.536 -24.575 1.00 43.33 C ATOM 865 CD ARG A 62 -29.214 52.907 -25.230 1.00 5.45 C ATOM 866 NE ARG A 62 -28.119 52.952 -24.263 1.00 53.33 N ATOM 867 CZ ARG A 62 -27.525 51.870 -23.775 1.00 61.01 C ATOM 868 NH1 ARG A 62 -27.919 50.663 -24.159 1.00 25.40 N ATOM 869 NH2 ARG A 62 -26.535 51.992 -22.900 1.00 43.30 N ATOM 0 H ARG A 62 -31.748 53.718 -21.389 1.00 61.41 H new ATOM 0 HA ARG A 62 -33.195 54.205 -23.787 1.00 41.12 H new ATOM 0 HB2 ARG A 62 -31.069 54.599 -24.387 1.00 63.21 H new ATOM 0 HB3 ARG A 62 -30.476 53.873 -22.906 1.00 63.21 H new ATOM 0 HG2 ARG A 62 -30.390 51.678 -23.918 1.00 43.33 H new ATOM 0 HG3 ARG A 62 -31.250 52.233 -25.341 1.00 43.33 H new ATOM 0 HD2 ARG A 62 -28.980 52.183 -26.010 1.00 5.45 H new ATOM 0 HD3 ARG A 62 -29.310 53.878 -25.715 1.00 5.45 H new ATOM 0 HE ARG A 62 -27.793 53.865 -23.946 1.00 53.33 H new ATOM 0 HH11 ARG A 62 -28.680 50.565 -24.831 1.00 25.40 H new ATOM 0 HH12 ARG A 62 -27.461 49.833 -23.782 1.00 25.40 H new ATOM 0 HH21 ARG A 62 -26.229 52.918 -22.601 1.00 43.30 H new ATOM 0 HH22 ARG A 62 -26.080 51.160 -22.526 1.00 43.30 H new ATOM 883 N GLU A 63 -32.699 51.085 -22.891 1.00 4.32 N ATOM 884 CA GLU A 63 -33.083 49.706 -23.170 1.00 34.14 C ATOM 885 C GLU A 63 -34.572 49.612 -23.491 1.00 43.11 C ATOM 886 O GLU A 63 -34.947 48.867 -24.395 1.00 44.21 O ATOM 887 CB GLU A 63 -32.750 48.811 -21.975 1.00 34.33 C ATOM 888 CG GLU A 63 -31.522 47.943 -22.188 1.00 24.13 C ATOM 889 CD GLU A 63 -31.750 46.848 -23.211 1.00 55.24 C ATOM 890 OE1 GLU A 63 -32.491 47.094 -24.187 1.00 22.02 O ATOM 891 OE2 GLU A 63 -31.191 45.746 -23.038 1.00 64.21 O ATOM 0 H GLU A 63 -32.182 51.212 -22.021 1.00 4.32 H new ATOM 0 HA GLU A 63 -32.519 49.365 -24.039 1.00 34.14 H new ATOM 0 HB2 GLU A 63 -32.594 49.436 -21.096 1.00 34.33 H new ATOM 0 HB3 GLU A 63 -33.605 48.170 -21.763 1.00 34.33 H new ATOM 0 HG2 GLU A 63 -30.691 48.570 -22.512 1.00 24.13 H new ATOM 0 HG3 GLU A 63 -31.231 47.493 -21.239 1.00 24.13 H new ATOM 898 N CYS A 64 -35.379 50.359 -22.751 1.00 63.42 N ATOM 899 CA CYS A 64 -36.815 50.350 -22.967 1.00 61.32 C ATOM 900 C CYS A 64 -37.248 51.758 -23.376 1.00 53.21 C ATOM 901 O CYS A 64 -38.430 52.050 -23.565 1.00 73.31 O ATOM 902 CB CYS A 64 -37.568 49.857 -21.731 1.00 75.52 C ATOM 903 SG CYS A 64 -37.035 50.798 -20.255 1.00 51.40 S ATOM 0 H CYS A 64 -35.065 50.975 -22.001 1.00 63.42 H new ATOM 0 HA CYS A 64 -37.062 49.650 -23.765 1.00 61.32 H new ATOM 0 HB2 CYS A 64 -38.642 49.974 -21.879 1.00 75.52 H new ATOM 0 HB3 CYS A 64 -37.381 48.794 -21.581 1.00 75.52 H new ATOM 0 HG CYS A 64 -37.363 50.143 -19.181 1.00 51.40 H new ATOM 908 N LYS A 65 -36.259 52.633 -23.512 1.00 70.15 N ATOM 909 CA LYS A 65 -36.507 54.017 -23.900 1.00 53.14 C ATOM 910 C LYS A 65 -37.684 54.596 -23.123 1.00 33.04 C ATOM 911 O LYS A 65 -38.420 55.441 -23.631 1.00 50.12 O ATOM 912 CB LYS A 65 -36.782 54.107 -25.403 1.00 61.31 C ATOM 913 CG LYS A 65 -37.548 52.917 -25.952 1.00 53.24 C ATOM 914 CD LYS A 65 -37.644 52.966 -27.468 1.00 72.12 C ATOM 915 CE LYS A 65 -38.977 53.538 -27.924 1.00 72.12 C ATOM 916 NZ LYS A 65 -39.078 53.595 -29.408 1.00 52.44 N ATOM 0 H LYS A 65 -35.276 52.409 -23.359 1.00 70.15 H new ATOM 0 HA LYS A 65 -35.616 54.599 -23.665 1.00 53.14 H new ATOM 0 HB2 LYS A 65 -37.346 55.017 -25.607 1.00 61.31 H new ATOM 0 HB3 LYS A 65 -35.834 54.194 -25.933 1.00 61.31 H new ATOM 0 HG2 LYS A 65 -37.055 51.994 -25.648 1.00 53.24 H new ATOM 0 HG3 LYS A 65 -38.550 52.899 -25.524 1.00 53.24 H new ATOM 0 HD2 LYS A 65 -36.831 53.574 -27.866 1.00 72.12 H new ATOM 0 HD3 LYS A 65 -37.520 51.962 -27.874 1.00 72.12 H new ATOM 0 HE2 LYS A 65 -39.789 52.927 -27.528 1.00 72.12 H new ATOM 0 HE3 LYS A 65 -39.102 54.540 -27.513 1.00 72.12 H new ATOM 0 HZ1 LYS A 65 -40.001 53.991 -29.678 1.00 52.44 H new ATOM 0 HZ2 LYS A 65 -38.319 54.198 -29.785 1.00 52.44 H new ATOM 0 HZ3 LYS A 65 -38.984 52.636 -29.799 1.00 52.44 H new ATOM 930 N GLU A 66 -37.855 54.136 -21.887 1.00 13.24 N ATOM 931 CA GLU A 66 -38.944 54.610 -21.039 1.00 5.24 C ATOM 932 C GLU A 66 -38.400 55.280 -19.780 1.00 22.21 C ATOM 933 O GLU A 66 -37.190 55.334 -19.566 1.00 24.00 O ATOM 934 CB GLU A 66 -39.864 53.450 -20.658 1.00 11.31 C ATOM 935 CG GLU A 66 -41.313 53.664 -21.064 1.00 45.42 C ATOM 936 CD GLU A 66 -41.588 53.230 -22.491 1.00 30.10 C ATOM 937 OE1 GLU A 66 -40.812 52.406 -23.021 1.00 35.41 O ATOM 938 OE2 GLU A 66 -42.578 53.714 -23.079 1.00 10.03 O ATOM 0 H GLU A 66 -37.254 53.436 -21.451 1.00 13.24 H new ATOM 0 HA GLU A 66 -39.516 55.347 -21.602 1.00 5.24 H new ATOM 0 HB2 GLU A 66 -39.496 52.537 -21.125 1.00 11.31 H new ATOM 0 HB3 GLU A 66 -39.816 53.298 -19.580 1.00 11.31 H new ATOM 0 HG2 GLU A 66 -41.962 53.108 -20.387 1.00 45.42 H new ATOM 0 HG3 GLU A 66 -41.566 54.719 -20.954 1.00 45.42 H new ATOM 945 N ALA A 67 -39.306 55.787 -18.949 1.00 45.14 N ATOM 946 CA ALA A 67 -38.919 56.452 -17.712 1.00 32.35 C ATOM 947 C ALA A 67 -37.985 55.573 -16.886 1.00 24.53 C ATOM 948 O ALA A 67 -38.221 54.374 -16.730 1.00 43.02 O ATOM 949 CB ALA A 67 -40.153 56.819 -16.902 1.00 1.31 C ATOM 0 H ALA A 67 -40.312 55.749 -19.111 1.00 45.14 H new ATOM 0 HA ALA A 67 -38.383 57.365 -17.971 1.00 32.35 H new ATOM 0 HB1 ALA A 67 -39.849 57.315 -15.980 1.00 1.31 H new ATOM 0 HB2 ALA A 67 -40.784 57.490 -17.484 1.00 1.31 H new ATOM 0 HB3 ALA A 67 -40.712 55.915 -16.660 1.00 1.31 H new ATOM 955 N TYR A 68 -36.925 56.175 -16.359 1.00 64.42 N ATOM 956 CA TYR A 68 -35.953 55.446 -15.552 1.00 53.13 C ATOM 957 C TYR A 68 -36.646 54.671 -14.435 1.00 45.32 C ATOM 958 O TYR A 68 -37.039 55.243 -13.418 1.00 63.14 O ATOM 959 CB TYR A 68 -34.926 56.411 -14.958 1.00 32.24 C ATOM 960 CG TYR A 68 -33.670 55.729 -14.464 1.00 75.33 C ATOM 961 CD1 TYR A 68 -32.651 55.388 -15.344 1.00 64.40 C ATOM 962 CD2 TYR A 68 -33.504 55.425 -13.119 1.00 54.42 C ATOM 963 CE1 TYR A 68 -31.501 54.763 -14.897 1.00 40.04 C ATOM 964 CE2 TYR A 68 -32.358 54.802 -12.663 1.00 13.31 C ATOM 965 CZ TYR A 68 -31.359 54.473 -13.557 1.00 14.13 C ATOM 966 OH TYR A 68 -30.217 53.852 -13.107 1.00 32.34 O ATOM 0 H TYR A 68 -36.716 57.167 -16.476 1.00 64.42 H new ATOM 0 HA TYR A 68 -35.440 54.735 -16.200 1.00 53.13 H new ATOM 0 HB2 TYR A 68 -34.656 57.150 -15.712 1.00 32.24 H new ATOM 0 HB3 TYR A 68 -35.385 56.953 -14.131 1.00 32.24 H new ATOM 0 HD1 TYR A 68 -32.758 55.615 -16.394 1.00 64.40 H new ATOM 0 HD2 TYR A 68 -34.284 55.680 -12.417 1.00 54.42 H new ATOM 0 HE1 TYR A 68 -30.718 54.504 -15.594 1.00 40.04 H new ATOM 0 HE2 TYR A 68 -32.245 54.574 -11.613 1.00 13.31 H new ATOM 0 HH TYR A 68 -29.473 54.059 -13.710 1.00 32.34 H new ATOM 976 N HIS A 69 -36.791 53.364 -14.633 1.00 22.44 N ATOM 977 CA HIS A 69 -37.434 52.508 -13.642 1.00 11.40 C ATOM 978 C HIS A 69 -36.397 51.848 -12.738 1.00 42.43 C ATOM 979 O HIS A 69 -35.351 51.398 -13.205 1.00 74.53 O ATOM 980 CB HIS A 69 -38.280 51.439 -14.334 1.00 31.12 C ATOM 981 CG HIS A 69 -37.585 50.777 -15.484 1.00 4.24 C ATOM 982 ND1 HIS A 69 -36.287 50.801 -15.866 1.00 64.32 N flip ATOM 983 CD2 HIS A 69 -38.238 49.979 -16.399 1.00 24.15 C flip ATOM 984 CE1 HIS A 69 -36.179 50.023 -16.994 1.00 54.41 C flip ATOM 985 NE2 HIS A 69 -37.370 49.539 -17.294 1.00 10.54 N flip ATOM 0 H HIS A 69 -36.472 52.875 -15.470 1.00 22.44 H new ATOM 0 HA HIS A 69 -38.082 53.131 -13.025 1.00 11.40 H new ATOM 0 HB2 HIS A 69 -38.560 50.680 -13.604 1.00 31.12 H new ATOM 0 HB3 HIS A 69 -39.204 51.894 -14.691 1.00 31.12 H new ATOM 0 HD1 HIS A 69 -35.530 51.303 -15.403 1.00 64.32 H new ATOM 0 HD2 HIS A 69 -39.293 49.749 -16.387 1.00 24.15 H new ATOM 0 HE1 HIS A 69 -35.269 49.838 -17.545 1.00 54.41 H new ATOM 993 N GLU A 70 -36.695 51.797 -11.444 1.00 30.43 N ATOM 994 CA GLU A 70 -35.787 51.194 -10.476 1.00 35.43 C ATOM 995 C GLU A 70 -35.821 49.670 -10.572 1.00 13.31 C ATOM 996 O GLU A 70 -36.746 49.027 -10.080 1.00 21.32 O ATOM 997 CB GLU A 70 -36.153 51.632 -9.057 1.00 2.23 C ATOM 998 CG GLU A 70 -35.954 53.118 -8.809 1.00 43.24 C ATOM 999 CD GLU A 70 -36.637 53.595 -7.542 1.00 4.41 C ATOM 1000 OE1 GLU A 70 -36.708 52.811 -6.574 1.00 73.21 O ATOM 1001 OE2 GLU A 70 -37.098 54.756 -7.519 1.00 53.33 O ATOM 0 H GLU A 70 -37.557 52.165 -11.042 1.00 30.43 H new ATOM 0 HA GLU A 70 -34.777 51.534 -10.705 1.00 35.43 H new ATOM 0 HB2 GLU A 70 -37.195 51.376 -8.864 1.00 2.23 H new ATOM 0 HB3 GLU A 70 -35.549 51.069 -8.345 1.00 2.23 H new ATOM 0 HG2 GLU A 70 -34.887 53.332 -8.745 1.00 43.24 H new ATOM 0 HG3 GLU A 70 -36.341 53.679 -9.659 1.00 43.24 H new ATOM 1008 N GLY A 71 -34.804 49.101 -11.214 1.00 31.55 N ATOM 1009 CA GLY A 71 -34.737 47.659 -11.364 1.00 53.11 C ATOM 1010 C GLY A 71 -34.174 47.243 -12.708 1.00 52.11 C ATOM 1011 O GLY A 71 -32.969 47.343 -12.941 1.00 14.33 O ATOM 0 H GLY A 71 -34.027 49.612 -11.632 1.00 31.55 H new ATOM 0 HA2 GLY A 71 -34.118 47.242 -10.569 1.00 53.11 H new ATOM 0 HA3 GLY A 71 -35.735 47.237 -11.245 1.00 53.11 H new ATOM 1015 N GLU A 72 -35.046 46.772 -13.594 1.00 72.20 N ATOM 1016 CA GLU A 72 -34.627 46.337 -14.921 1.00 61.24 C ATOM 1017 C GLU A 72 -35.831 46.161 -15.842 1.00 33.02 C ATOM 1018 O GLU A 72 -36.940 45.956 -15.352 1.00 74.21 O ATOM 1019 CB GLU A 72 -33.846 45.024 -14.829 1.00 22.30 C ATOM 1020 CG GLU A 72 -32.571 45.013 -15.656 1.00 13.21 C ATOM 1021 CD GLU A 72 -31.416 44.345 -14.939 1.00 2.13 C ATOM 1022 OE1 GLU A 72 -31.675 43.527 -14.031 1.00 12.25 O ATOM 1023 OE2 GLU A 72 -30.253 44.638 -15.283 1.00 53.43 O ATOM 0 H GLU A 72 -36.046 46.682 -13.417 1.00 72.20 H new ATOM 0 HA GLU A 72 -33.980 47.108 -15.340 1.00 61.24 H new ATOM 0 HB2 GLU A 72 -33.594 44.834 -13.786 1.00 22.30 H new ATOM 0 HB3 GLU A 72 -34.488 44.206 -15.156 1.00 22.30 H new ATOM 0 HG2 GLU A 72 -32.757 44.496 -16.597 1.00 13.21 H new ATOM 0 HG3 GLU A 72 -32.295 46.038 -15.905 1.00 13.21 H new ATOM 1030 N CYS A 73 -35.589 46.245 -17.142 1.00 45.43 N ATOM 1031 CA CYS A 73 -36.660 46.096 -18.114 1.00 22.31 C ATOM 1032 C CYS A 73 -37.344 44.750 -17.870 1.00 31.40 C ATOM 1033 O CYS A 73 -38.565 44.650 -17.757 1.00 62.12 O ATOM 1034 CB CYS A 73 -36.143 46.222 -19.548 1.00 24.34 C ATOM 1035 SG CYS A 73 -34.995 47.641 -19.676 1.00 63.35 S ATOM 0 H CYS A 73 -34.667 46.414 -17.545 1.00 45.43 H new ATOM 0 HA CYS A 73 -37.385 46.900 -17.987 1.00 22.31 H new ATOM 0 HB2 CYS A 73 -35.634 45.304 -19.842 1.00 24.34 H new ATOM 0 HB3 CYS A 73 -36.979 46.357 -20.234 1.00 24.34 H new ATOM 0 HG CYS A 73 -35.674 48.732 -19.876 1.00 63.35 H new