USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=12 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= -3.33! USER MOD Set 1.2: A 64 CYS SG : rot -165:sc= 0.174 USER MOD Set 1.3: A 69 HIS :FLIP no HE2:sc= 1.01 F(o=-12!,f=-3.4) USER MOD Set 1.4: A 73 CYS SG : rot -107:sc= -1.26 USER MOD Set 2.1: A 28 CYS SG : rot 119:sc= 0.963 USER MOD Set 2.2: A 33 CYS SG : rot 159:sc= 0.118 USER MOD Set 2.3: A 48 CYS SG : rot 19:sc= 1.41 USER MOD Set 2.4: A 56 CYS SG : rot 166:sc= 0.582 USER MOD Single : A 23 MET CE :methyl -158:sc= -4.28! (180deg=-5.13!) USER MOD Single : A 43 GLN : amide:sc= -0.204 K(o=-0.2,f=-4.4!) 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+ 165:sc= -0.0556 (180deg=-0.373) USER MOD Single : A 68 TYR OH : rot -3:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 -30.876 48.156 -27.706 1.00 25.53 N ATOM 342 CA MET A 23 -31.358 49.504 -27.981 1.00 62.15 C ATOM 343 C MET A 23 -30.193 50.475 -28.135 1.00 42.22 C ATOM 344 O MET A 23 -29.268 50.486 -27.324 1.00 14.25 O ATOM 345 CB MET A 23 -32.287 49.976 -26.862 1.00 35.51 C ATOM 346 CG MET A 23 -33.252 51.068 -27.293 1.00 5.11 C ATOM 347 SD MET A 23 -32.466 52.687 -27.400 1.00 21.33 S ATOM 348 CE MET A 23 -32.927 53.178 -29.060 1.00 71.14 C ATOM 0 HA MET A 23 -31.915 49.480 -28.918 1.00 62.15 H new ATOM 0 HB2 MET A 23 -32.857 49.124 -26.491 1.00 35.51 H new ATOM 0 HB3 MET A 23 -31.684 50.342 -26.031 1.00 35.51 H new ATOM 0 HG2 MET A 23 -33.677 50.810 -28.263 1.00 5.11 H new ATOM 0 HG3 MET A 23 -34.080 51.116 -26.585 1.00 5.11 H new ATOM 0 HE1 MET A 23 -32.231 53.934 -29.422 1.00 71.14 H new ATOM 0 HE2 MET A 23 -32.895 52.310 -29.718 1.00 71.14 H new ATOM 0 HE3 MET A 23 -33.936 53.589 -29.051 1.00 71.14 H new ATOM 358 N GLY A 24 -30.242 51.293 -29.184 1.00 61.54 N ATOM 359 CA GLY A 24 -29.186 52.256 -29.424 1.00 41.21 C ATOM 360 C GLY A 24 -29.669 53.464 -30.203 1.00 13.14 C ATOM 361 O GLY A 24 -30.223 53.328 -31.291 1.00 45.35 O ATOM 0 H GLY A 24 -30.996 51.304 -29.871 1.00 61.54 H new ATOM 0 HA2 GLY A 24 -28.774 52.584 -28.470 1.00 41.21 H new ATOM 0 HA3 GLY A 24 -28.377 51.774 -29.972 1.00 41.21 H new ATOM 365 N GLY A 25 -29.459 54.651 -29.642 1.00 32.14 N ATOM 366 CA GLY A 25 -29.885 55.871 -30.303 1.00 23.42 C ATOM 367 C GLY A 25 -31.369 56.130 -30.141 1.00 25.20 C ATOM 368 O GLY A 25 -32.184 55.614 -30.906 1.00 3.22 O ATOM 0 H GLY A 25 -29.001 54.790 -28.741 1.00 32.14 H new ATOM 0 HA2 GLY A 25 -29.326 56.714 -29.898 1.00 23.42 H new ATOM 0 HA3 GLY A 25 -29.644 55.809 -31.364 1.00 23.42 H new ATOM 372 N VAL A 26 -31.722 56.932 -29.141 1.00 63.11 N ATOM 373 CA VAL A 26 -33.119 57.258 -28.881 1.00 32.15 C ATOM 374 C VAL A 26 -33.273 58.716 -28.462 1.00 64.23 C ATOM 375 O VAL A 26 -32.356 59.312 -27.897 1.00 11.04 O ATOM 376 CB VAL A 26 -33.712 56.355 -27.781 1.00 44.52 C ATOM 377 CG1 VAL A 26 -33.021 56.610 -26.450 1.00 41.31 C ATOM 378 CG2 VAL A 26 -35.212 56.575 -27.663 1.00 61.12 C ATOM 0 H VAL A 26 -31.060 57.367 -28.498 1.00 63.11 H new ATOM 0 HA VAL A 26 -33.662 57.089 -29.811 1.00 32.15 H new ATOM 0 HB VAL A 26 -33.541 55.315 -28.058 1.00 44.52 H new ATOM 0 HG11 VAL A 26 -33.453 55.964 -25.686 1.00 41.31 H new ATOM 0 HG12 VAL A 26 -31.956 56.397 -26.546 1.00 41.31 H new ATOM 0 HG13 VAL A 26 -33.158 57.653 -26.163 1.00 41.31 H new ATOM 0 HG21 VAL A 26 -35.614 55.930 -26.882 1.00 61.12 H new ATOM 0 HG22 VAL A 26 -35.408 57.617 -27.410 1.00 61.12 H new ATOM 0 HG23 VAL A 26 -35.691 56.336 -28.613 1.00 61.12 H new ATOM 388 N LEU A 27 -34.439 59.286 -28.745 1.00 35.23 N ATOM 389 CA LEU A 27 -34.717 60.677 -28.398 1.00 65.40 C ATOM 390 C LEU A 27 -35.754 60.762 -27.284 1.00 54.33 C ATOM 391 O LEU A 27 -36.434 59.774 -27.015 1.00 63.42 O ATOM 392 CB LEU A 27 -35.206 61.441 -29.629 1.00 33.23 C ATOM 393 CG LEU A 27 -36.375 60.813 -30.387 1.00 45.34 C ATOM 394 CD1 LEU A 27 -37.700 61.354 -29.871 1.00 32.55 C ATOM 395 CD2 LEU A 27 -36.240 61.070 -31.882 1.00 31.23 C ATOM 0 H LEU A 27 -35.208 58.807 -29.214 1.00 35.23 H new ATOM 0 HA LEU A 27 -33.792 61.131 -28.042 1.00 65.40 H new ATOM 0 HB2 LEU A 27 -35.498 62.444 -29.317 1.00 33.23 H new ATOM 0 HB3 LEU A 27 -34.369 61.552 -30.319 1.00 33.23 H new ATOM 0 HG LEU A 27 -36.355 59.736 -30.218 1.00 45.34 H new ATOM 0 HD11 LEU A 27 -38.520 60.895 -30.423 1.00 32.55 H new ATOM 0 HD12 LEU A 27 -37.800 61.120 -28.811 1.00 32.55 H new ATOM 0 HD13 LEU A 27 -37.730 62.435 -30.009 1.00 32.55 H new ATOM 0 HD21 LEU A 27 -37.081 60.616 -32.407 1.00 31.23 H new ATOM 0 HD22 LEU A 27 -36.234 62.144 -32.067 1.00 31.23 H new ATOM 0 HD23 LEU A 27 -35.309 60.634 -32.243 1.00 31.23 H new ATOM 407 N CYS A 28 -35.855 61.931 -26.668 1.00 42.55 N ATOM 408 CA CYS A 28 -36.812 62.132 -25.594 1.00 34.13 C ATOM 409 C CYS A 28 -38.190 61.690 -26.088 1.00 63.34 C ATOM 410 O CYS A 28 -38.769 62.234 -27.028 1.00 51.55 O ATOM 411 CB CYS A 28 -36.820 63.581 -25.105 1.00 23.14 C ATOM 412 SG CYS A 28 -36.704 63.628 -23.279 1.00 3.14 S ATOM 0 H CYS A 28 -35.289 62.749 -26.893 1.00 42.55 H new ATOM 0 HA CYS A 28 -36.525 61.529 -24.733 1.00 34.13 H new ATOM 0 HB2 CYS A 28 -35.985 64.126 -25.545 1.00 23.14 H new ATOM 0 HB3 CYS A 28 -37.733 64.079 -25.432 1.00 23.14 H new ATOM 0 HG CYS A 28 -35.627 64.266 -22.929 1.00 3.14 H new ATOM 417 N PRO A 29 -38.726 60.656 -25.422 1.00 54.14 N ATOM 418 CA PRO A 29 -40.040 60.096 -25.753 1.00 53.24 C ATOM 419 C PRO A 29 -41.181 61.044 -25.401 1.00 54.32 C ATOM 420 O PRO A 29 -42.309 60.874 -25.866 1.00 5.33 O ATOM 421 CB PRO A 29 -40.112 58.830 -24.898 1.00 34.42 C ATOM 422 CG PRO A 29 -39.201 59.096 -23.750 1.00 34.23 C ATOM 423 CD PRO A 29 -38.093 59.957 -24.291 1.00 20.52 C ATOM 0 HA PRO A 29 -40.146 59.911 -26.822 1.00 53.24 H new ATOM 0 HB2 PRO A 29 -41.130 58.638 -24.559 1.00 34.42 H new ATOM 0 HB3 PRO A 29 -39.793 57.953 -25.461 1.00 34.42 H new ATOM 0 HG2 PRO A 29 -39.729 59.602 -22.942 1.00 34.23 H new ATOM 0 HG3 PRO A 29 -38.808 58.166 -23.340 1.00 34.23 H new ATOM 0 HD2 PRO A 29 -37.725 60.657 -23.541 1.00 20.52 H new ATOM 0 HD3 PRO A 29 -37.241 59.359 -24.614 1.00 20.52 H new ATOM 431 N ARG A 30 -40.880 62.043 -24.577 1.00 72.31 N ATOM 432 CA ARG A 30 -41.883 63.018 -24.161 1.00 31.24 C ATOM 433 C ARG A 30 -42.241 63.952 -25.311 1.00 44.12 C ATOM 434 O ARG A 30 -41.447 64.190 -26.223 1.00 31.11 O ATOM 435 CB ARG A 30 -41.370 63.831 -22.969 1.00 65.14 C ATOM 436 CG ARG A 30 -41.030 62.982 -21.754 1.00 72.44 C ATOM 437 CD ARG A 30 -42.276 62.362 -21.143 1.00 12.33 C ATOM 438 NE ARG A 30 -42.287 62.479 -19.687 1.00 55.14 N ATOM 439 CZ ARG A 30 -42.727 63.552 -19.039 1.00 53.10 C ATOM 440 NH1 ARG A 30 -43.190 64.595 -19.715 1.00 0.35 N ATOM 441 NH2 ARG A 30 -42.705 63.583 -17.713 1.00 1.10 N ATOM 0 H ARG A 30 -39.951 62.199 -24.185 1.00 72.31 H new ATOM 0 HA ARG A 30 -42.781 62.476 -23.863 1.00 31.24 H new ATOM 0 HB2 ARG A 30 -40.483 64.386 -23.274 1.00 65.14 H new ATOM 0 HB3 ARG A 30 -42.125 64.565 -22.689 1.00 65.14 H new ATOM 0 HG2 ARG A 30 -40.334 62.194 -22.042 1.00 72.44 H new ATOM 0 HG3 ARG A 30 -40.525 63.597 -21.009 1.00 72.44 H new ATOM 0 HD2 ARG A 30 -43.161 62.848 -21.553 1.00 12.33 H new ATOM 0 HD3 ARG A 30 -42.332 61.310 -21.423 1.00 12.33 H new ATOM 0 HE ARG A 30 -41.938 61.694 -19.138 1.00 55.14 H new ATOM 0 HH11 ARG A 30 -43.209 64.574 -20.735 1.00 0.35 H new ATOM 0 HH12 ARG A 30 -43.527 65.418 -19.215 1.00 0.35 H new ATOM 0 HH21 ARG A 30 -42.350 62.782 -17.190 1.00 1.10 H new ATOM 0 HH22 ARG A 30 -43.043 64.407 -17.216 1.00 1.10 H new ATOM 455 N PRO A 31 -43.467 64.497 -25.271 1.00 50.04 N ATOM 456 CA PRO A 31 -43.958 65.414 -26.304 1.00 74.51 C ATOM 457 C PRO A 31 -43.251 66.765 -26.264 1.00 62.52 C ATOM 458 O PRO A 31 -42.917 67.270 -25.194 1.00 31.11 O ATOM 459 CB PRO A 31 -45.441 65.577 -25.956 1.00 34.25 C ATOM 460 CG PRO A 31 -45.520 65.294 -24.496 1.00 60.33 C ATOM 461 CD PRO A 31 -44.465 64.259 -24.216 1.00 52.13 C ATOM 0 HA PRO A 31 -43.780 65.030 -27.308 1.00 74.51 H new ATOM 0 HB2 PRO A 31 -45.793 66.583 -26.184 1.00 34.25 H new ATOM 0 HB3 PRO A 31 -46.060 64.886 -26.527 1.00 34.25 H new ATOM 0 HG2 PRO A 31 -45.344 66.198 -23.913 1.00 60.33 H new ATOM 0 HG3 PRO A 31 -46.509 64.927 -24.223 1.00 60.33 H new ATOM 0 HD2 PRO A 31 -44.036 64.381 -23.222 1.00 52.13 H new ATOM 0 HD3 PRO A 31 -44.870 63.248 -24.266 1.00 52.13 H new ATOM 469 N GLY A 32 -43.027 67.343 -27.440 1.00 12.30 N ATOM 470 CA GLY A 32 -42.359 68.631 -27.517 1.00 51.42 C ATOM 471 C GLY A 32 -40.850 68.501 -27.525 1.00 51.42 C ATOM 472 O GLY A 32 -40.221 68.886 -28.509 1.00 41.31 O ATOM 0 H GLY A 32 -43.295 66.944 -28.340 1.00 12.30 H new ATOM 0 HA2 GLY A 32 -42.681 69.150 -28.420 1.00 51.42 H new ATOM 0 HA3 GLY A 32 -42.663 69.246 -26.670 1.00 51.42 H new ATOM 476 N CYS A 33 -40.298 67.971 -26.444 1.00 41.42 N ATOM 477 CA CYS A 33 -38.858 67.801 -26.343 1.00 52.40 C ATOM 478 C CYS A 33 -38.384 66.993 -27.553 1.00 74.32 C ATOM 479 O CYS A 33 -38.555 65.777 -27.632 1.00 3.42 O ATOM 480 CB CYS A 33 -38.456 67.143 -25.022 1.00 51.12 C ATOM 481 SG CYS A 33 -36.633 67.056 -24.896 1.00 71.33 S ATOM 0 H CYS A 33 -40.822 67.653 -25.629 1.00 41.42 H new ATOM 0 HA CYS A 33 -38.373 68.777 -26.347 1.00 52.40 H new ATOM 0 HB2 CYS A 33 -38.860 67.712 -24.185 1.00 51.12 H new ATOM 0 HB3 CYS A 33 -38.881 66.141 -24.961 1.00 51.12 H new ATOM 0 HG CYS A 33 -36.290 66.924 -23.649 1.00 71.33 H new ATOM 486 N GLY A 34 -37.781 67.703 -28.501 1.00 43.23 N ATOM 487 CA GLY A 34 -37.282 67.060 -29.703 1.00 2.30 C ATOM 488 C GLY A 34 -35.840 66.616 -29.568 1.00 62.03 C ATOM 489 O GLY A 34 -35.072 66.677 -30.528 1.00 11.44 O ATOM 0 H GLY A 34 -37.629 68.711 -28.459 1.00 43.23 H new ATOM 0 HA2 GLY A 34 -37.905 66.196 -29.934 1.00 2.30 H new ATOM 0 HA3 GLY A 34 -37.369 67.749 -30.543 1.00 2.30 H new ATOM 493 N ALA A 35 -35.469 66.169 -28.372 1.00 54.44 N ATOM 494 CA ALA A 35 -34.108 65.714 -28.115 1.00 35.02 C ATOM 495 C ALA A 35 -33.694 64.633 -29.107 1.00 51.04 C ATOM 496 O ALA A 35 -34.477 64.236 -29.969 1.00 31.02 O ATOM 497 CB ALA A 35 -33.987 65.199 -26.689 1.00 22.42 C ATOM 0 H ALA A 35 -36.092 66.112 -27.566 1.00 54.44 H new ATOM 0 HA ALA A 35 -33.436 66.563 -28.243 1.00 35.02 H new ATOM 0 HB1 ALA A 35 -32.966 64.862 -26.509 1.00 22.42 H new ATOM 0 HB2 ALA A 35 -34.233 65.999 -25.991 1.00 22.42 H new ATOM 0 HB3 ALA A 35 -34.675 64.366 -26.543 1.00 22.42 H new ATOM 503 N GLY A 36 -32.457 64.163 -28.980 1.00 72.04 N ATOM 504 CA GLY A 36 -31.961 63.134 -29.875 1.00 24.21 C ATOM 505 C GLY A 36 -30.469 62.908 -29.729 1.00 2.44 C ATOM 506 O GLY A 36 -29.750 62.791 -30.722 1.00 51.51 O ATOM 0 H GLY A 36 -31.790 64.476 -28.274 1.00 72.04 H new ATOM 0 HA2 GLY A 36 -32.488 62.200 -29.678 1.00 24.21 H new ATOM 0 HA3 GLY A 36 -32.184 63.414 -30.905 1.00 24.21 H new ATOM 510 N LEU A 37 -29.999 62.851 -28.486 1.00 62.02 N ATOM 511 CA LEU A 37 -28.583 62.642 -28.213 1.00 22.54 C ATOM 512 C LEU A 37 -28.293 61.169 -27.937 1.00 61.44 C ATOM 513 O LEU A 37 -28.969 60.533 -27.128 1.00 72.21 O ATOM 514 CB LEU A 37 -28.142 63.492 -27.020 1.00 22.43 C ATOM 515 CG LEU A 37 -29.264 64.099 -26.178 1.00 2.02 C ATOM 516 CD1 LEU A 37 -29.910 63.034 -25.304 1.00 12.33 C ATOM 517 CD2 LEU A 37 -28.732 65.242 -25.325 1.00 63.44 C ATOM 0 H LEU A 37 -30.579 62.947 -27.653 1.00 62.02 H new ATOM 0 HA LEU A 37 -28.020 62.945 -29.096 1.00 22.54 H new ATOM 0 HB2 LEU A 37 -27.520 62.876 -26.371 1.00 22.43 H new ATOM 0 HB3 LEU A 37 -27.513 64.302 -27.389 1.00 22.43 H new ATOM 0 HG LEU A 37 -30.023 64.498 -26.851 1.00 2.02 H new ATOM 0 HD11 LEU A 37 -30.707 63.484 -24.711 1.00 12.33 H new ATOM 0 HD12 LEU A 37 -30.326 62.249 -25.935 1.00 12.33 H new ATOM 0 HD13 LEU A 37 -29.160 62.606 -24.639 1.00 12.33 H new ATOM 0 HD21 LEU A 37 -29.544 65.662 -24.732 1.00 63.44 H new ATOM 0 HD22 LEU A 37 -27.953 64.868 -24.660 1.00 63.44 H new ATOM 0 HD23 LEU A 37 -28.317 66.015 -25.971 1.00 63.44 H new ATOM 529 N LEU A 38 -27.282 60.633 -28.613 1.00 75.24 N ATOM 530 CA LEU A 38 -26.903 59.236 -28.441 1.00 22.33 C ATOM 531 C LEU A 38 -26.373 58.987 -27.033 1.00 2.24 C ATOM 532 O LEU A 38 -25.296 59.451 -26.656 1.00 40.30 O ATOM 533 CB LEU A 38 -25.843 58.843 -29.472 1.00 14.31 C ATOM 534 CG LEU A 38 -25.288 57.424 -29.358 1.00 24.32 C ATOM 535 CD1 LEU A 38 -26.392 56.399 -29.571 1.00 4.21 C ATOM 536 CD2 LEU A 38 -24.159 57.210 -30.355 1.00 63.43 C ATOM 0 H LEU A 38 -26.711 61.145 -29.285 1.00 75.24 H new ATOM 0 HA LEU A 38 -27.792 58.623 -28.591 1.00 22.33 H new ATOM 0 HB2 LEU A 38 -26.270 58.965 -30.467 1.00 14.31 H new ATOM 0 HB3 LEU A 38 -25.012 59.544 -29.394 1.00 14.31 H new ATOM 0 HG LEU A 38 -24.887 57.292 -28.353 1.00 24.32 H new ATOM 0 HD11 LEU A 38 -25.977 55.395 -29.486 1.00 4.21 H new ATOM 0 HD12 LEU A 38 -27.167 56.537 -28.817 1.00 4.21 H new ATOM 0 HD13 LEU A 38 -26.824 56.530 -30.563 1.00 4.21 H new ATOM 0 HD21 LEU A 38 -23.776 56.194 -30.259 1.00 63.43 H new ATOM 0 HD22 LEU A 38 -24.534 57.362 -31.367 1.00 63.43 H new ATOM 0 HD23 LEU A 38 -23.357 57.920 -30.154 1.00 63.43 H new ATOM 548 N PRO A 39 -27.144 58.234 -26.233 1.00 51.14 N ATOM 549 CA PRO A 39 -26.773 57.904 -24.855 1.00 4.30 C ATOM 550 C PRO A 39 -25.593 56.939 -24.789 1.00 21.53 C ATOM 551 O PRO A 39 -25.083 56.497 -25.816 1.00 62.21 O ATOM 552 CB PRO A 39 -28.035 57.245 -24.295 1.00 31.03 C ATOM 553 CG PRO A 39 -28.738 56.699 -25.489 1.00 11.14 C ATOM 554 CD PRO A 39 -28.440 57.648 -26.616 1.00 40.32 C ATOM 0 HA PRO A 39 -26.453 58.784 -24.297 1.00 4.30 H new ATOM 0 HB2 PRO A 39 -27.788 56.455 -23.585 1.00 31.03 H new ATOM 0 HB3 PRO A 39 -28.657 57.967 -23.765 1.00 31.03 H new ATOM 0 HG2 PRO A 39 -28.387 55.694 -25.722 1.00 11.14 H new ATOM 0 HG3 PRO A 39 -29.811 56.629 -25.312 1.00 11.14 H new ATOM 0 HD2 PRO A 39 -28.380 57.130 -27.573 1.00 40.32 H new ATOM 0 HD3 PRO A 39 -29.213 58.410 -26.715 1.00 40.32 H new ATOM 562 N GLU A 40 -25.165 56.618 -23.571 1.00 64.01 N ATOM 563 CA GLU A 40 -24.046 55.705 -23.372 1.00 1.23 C ATOM 564 C GLU A 40 -24.471 54.260 -23.618 1.00 62.22 C ATOM 565 O GLU A 40 -25.659 53.935 -23.670 1.00 2.24 O ATOM 566 CB GLU A 40 -23.487 55.848 -21.955 1.00 54.34 C ATOM 567 CG GLU A 40 -22.284 56.773 -21.866 1.00 42.41 C ATOM 568 CD GLU A 40 -21.711 56.852 -20.465 1.00 75.52 C ATOM 569 OE1 GLU A 40 -21.033 55.890 -20.047 1.00 4.31 O ATOM 570 OE2 GLU A 40 -21.941 57.874 -19.786 1.00 52.41 O ATOM 0 H GLU A 40 -25.576 56.976 -22.709 1.00 64.01 H new ATOM 0 HA GLU A 40 -23.268 55.964 -24.090 1.00 1.23 H new ATOM 0 HB2 GLU A 40 -24.273 56.224 -21.300 1.00 54.34 H new ATOM 0 HB3 GLU A 40 -23.206 54.863 -21.583 1.00 54.34 H new ATOM 0 HG2 GLU A 40 -21.511 56.425 -22.551 1.00 42.41 H new ATOM 0 HG3 GLU A 40 -22.573 57.772 -22.193 1.00 42.41 H new ATOM 577 N PRO A 41 -23.480 53.370 -23.776 1.00 31.05 N ATOM 578 CA PRO A 41 -23.726 51.946 -24.019 1.00 63.34 C ATOM 579 C PRO A 41 -24.299 51.238 -22.795 1.00 45.12 C ATOM 580 O PRO A 41 -24.367 50.010 -22.751 1.00 41.41 O ATOM 581 CB PRO A 41 -22.336 51.397 -24.352 1.00 42.12 C ATOM 582 CG PRO A 41 -21.389 52.333 -23.681 1.00 71.34 C ATOM 583 CD PRO A 41 -22.042 53.686 -23.728 1.00 70.24 C ATOM 0 HA PRO A 41 -24.462 51.789 -24.808 1.00 63.34 H new ATOM 0 HB2 PRO A 41 -22.214 50.378 -23.984 1.00 42.12 H new ATOM 0 HB3 PRO A 41 -22.169 51.369 -25.429 1.00 42.12 H new ATOM 0 HG2 PRO A 41 -21.200 52.026 -22.652 1.00 71.34 H new ATOM 0 HG3 PRO A 41 -20.426 52.346 -24.191 1.00 71.34 H new ATOM 0 HD2 PRO A 41 -21.791 54.284 -22.852 1.00 70.24 H new ATOM 0 HD3 PRO A 41 -21.726 54.254 -24.603 1.00 70.24 H new ATOM 591 N ASP A 42 -24.708 52.022 -21.803 1.00 73.03 N ATOM 592 CA ASP A 42 -25.276 51.470 -20.579 1.00 52.32 C ATOM 593 C ASP A 42 -26.466 52.301 -20.109 1.00 45.43 C ATOM 594 O ASP A 42 -26.304 53.437 -19.664 1.00 3.13 O ATOM 595 CB ASP A 42 -24.214 51.410 -19.480 1.00 42.51 C ATOM 596 CG ASP A 42 -23.342 50.175 -19.583 1.00 61.41 C ATOM 597 OD1 ASP A 42 -23.900 49.063 -19.698 1.00 53.34 O ATOM 598 OD2 ASP A 42 -22.102 50.318 -19.547 1.00 43.42 O ATOM 0 H ASP A 42 -24.657 53.041 -21.823 1.00 73.03 H new ATOM 0 HA ASP A 42 -25.624 50.459 -20.793 1.00 52.32 H new ATOM 0 HB2 ASP A 42 -23.587 52.300 -19.536 1.00 42.51 H new ATOM 0 HB3 ASP A 42 -24.703 51.426 -18.506 1.00 42.51 H new ATOM 603 N GLN A 43 -27.660 51.728 -20.215 1.00 1.13 N ATOM 604 CA GLN A 43 -28.878 52.418 -19.801 1.00 65.20 C ATOM 605 C GLN A 43 -28.774 52.886 -18.354 1.00 20.13 C ATOM 606 O GLN A 43 -29.592 53.679 -17.889 1.00 34.15 O ATOM 607 CB GLN A 43 -30.089 51.500 -19.968 1.00 52.01 C ATOM 608 CG GLN A 43 -30.351 50.613 -18.761 1.00 45.25 C ATOM 609 CD GLN A 43 -29.317 49.515 -18.609 1.00 43.13 C ATOM 610 OE1 GLN A 43 -28.581 49.205 -19.546 1.00 60.43 O ATOM 611 NE2 GLN A 43 -29.255 48.921 -17.423 1.00 25.02 N ATOM 0 H GLN A 43 -27.811 50.789 -20.583 1.00 1.13 H new ATOM 0 HA GLN A 43 -29.004 53.294 -20.437 1.00 65.20 H new ATOM 0 HB2 GLN A 43 -30.972 52.109 -20.160 1.00 52.01 H new ATOM 0 HB3 GLN A 43 -29.939 50.871 -20.845 1.00 52.01 H new ATOM 0 HG2 GLN A 43 -30.360 51.226 -17.860 1.00 45.25 H new ATOM 0 HG3 GLN A 43 -31.341 50.165 -18.852 1.00 45.25 H new ATOM 0 HE21 GLN A 43 -29.885 49.210 -16.674 1.00 25.02 H new ATOM 0 HE22 GLN A 43 -28.578 48.176 -17.261 1.00 25.02 H new ATOM 620 N ARG A 44 -27.762 52.389 -17.648 1.00 55.15 N ATOM 621 CA ARG A 44 -27.553 52.757 -16.253 1.00 23.42 C ATOM 622 C ARG A 44 -28.012 54.188 -15.991 1.00 63.31 C ATOM 623 O ARG A 44 -28.760 54.450 -15.049 1.00 31.05 O ATOM 624 CB ARG A 44 -26.078 52.606 -15.880 1.00 50.52 C ATOM 625 CG ARG A 44 -25.837 51.664 -14.712 1.00 0.23 C ATOM 626 CD ARG A 44 -25.077 50.421 -15.145 1.00 33.15 C ATOM 627 NE ARG A 44 -25.305 49.297 -14.241 1.00 12.24 N ATOM 628 CZ ARG A 44 -26.342 48.472 -14.339 1.00 12.45 C ATOM 629 NH1 ARG A 44 -27.242 48.646 -15.295 1.00 64.31 N ATOM 630 NH2 ARG A 44 -26.478 47.473 -13.477 1.00 32.10 N ATOM 0 H ARG A 44 -27.076 51.732 -18.019 1.00 55.15 H new ATOM 0 HA ARG A 44 -28.148 52.086 -15.634 1.00 23.42 H new ATOM 0 HB2 ARG A 44 -25.528 52.242 -16.748 1.00 50.52 H new ATOM 0 HB3 ARG A 44 -25.672 53.587 -15.634 1.00 50.52 H new ATOM 0 HG2 ARG A 44 -25.275 52.183 -13.935 1.00 0.23 H new ATOM 0 HG3 ARG A 44 -26.792 51.374 -14.275 1.00 0.23 H new ATOM 0 HD2 ARG A 44 -25.382 50.143 -16.154 1.00 33.15 H new ATOM 0 HD3 ARG A 44 -24.011 50.644 -15.185 1.00 33.15 H new ATOM 0 HE ARG A 44 -24.631 49.136 -13.493 1.00 12.24 H new ATOM 0 HH11 ARG A 44 -27.140 49.414 -15.958 1.00 64.31 H new ATOM 0 HH12 ARG A 44 -28.037 48.011 -15.368 1.00 64.31 H new ATOM 0 HH21 ARG A 44 -25.787 47.338 -12.739 1.00 32.10 H new ATOM 0 HH22 ARG A 44 -27.274 46.840 -13.552 1.00 32.10 H new ATOM 644 N LYS A 45 -27.558 55.111 -16.832 1.00 74.23 N ATOM 645 CA LYS A 45 -27.921 56.516 -16.695 1.00 55.24 C ATOM 646 C LYS A 45 -27.905 57.218 -18.049 1.00 62.04 C ATOM 647 O LYS A 45 -26.851 57.371 -18.668 1.00 74.25 O ATOM 648 CB LYS A 45 -26.963 57.220 -15.732 1.00 50.33 C ATOM 649 CG LYS A 45 -27.206 58.715 -15.617 1.00 53.44 C ATOM 650 CD LYS A 45 -27.522 59.121 -14.187 1.00 63.53 C ATOM 651 CE LYS A 45 -29.015 59.325 -13.983 1.00 1.22 C ATOM 652 NZ LYS A 45 -29.297 60.355 -12.945 1.00 31.40 N ATOM 0 H LYS A 45 -26.937 54.911 -17.616 1.00 74.23 H new ATOM 0 HA LYS A 45 -28.933 56.566 -16.293 1.00 55.24 H new ATOM 0 HB2 LYS A 45 -27.057 56.768 -14.745 1.00 50.33 H new ATOM 0 HB3 LYS A 45 -25.939 57.051 -16.064 1.00 50.33 H new ATOM 0 HG2 LYS A 45 -26.325 59.255 -15.963 1.00 53.44 H new ATOM 0 HG3 LYS A 45 -28.032 59.001 -16.268 1.00 53.44 H new ATOM 0 HD2 LYS A 45 -27.161 58.354 -13.502 1.00 63.53 H new ATOM 0 HD3 LYS A 45 -26.991 60.041 -13.943 1.00 63.53 H new ATOM 0 HE2 LYS A 45 -29.473 59.625 -14.926 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -29.474 58.380 -13.692 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -30.325 60.465 -12.835 1.00 31.40 H new ATOM 0 HZ2 LYS A 45 -28.882 60.057 -12.039 1.00 31.40 H new ATOM 0 HZ3 LYS A 45 -28.881 61.263 -13.235 1.00 31.40 H new ATOM 666 N VAL A 46 -29.079 57.644 -18.505 1.00 23.13 N ATOM 667 CA VAL A 46 -29.199 58.332 -19.785 1.00 33.21 C ATOM 668 C VAL A 46 -29.856 59.697 -19.615 1.00 50.32 C ATOM 669 O VAL A 46 -31.054 59.793 -19.344 1.00 44.45 O ATOM 670 CB VAL A 46 -30.016 57.503 -20.794 1.00 25.33 C ATOM 671 CG1 VAL A 46 -30.726 58.413 -21.783 1.00 50.15 C ATOM 672 CG2 VAL A 46 -29.117 56.512 -21.519 1.00 13.12 C ATOM 0 H VAL A 46 -29.961 57.525 -18.007 1.00 23.13 H new ATOM 0 HA VAL A 46 -28.188 58.464 -20.170 1.00 33.21 H new ATOM 0 HB VAL A 46 -30.773 56.941 -20.248 1.00 25.33 H new ATOM 0 HG11 VAL A 46 -31.298 57.809 -22.488 1.00 50.15 H new ATOM 0 HG12 VAL A 46 -31.401 59.079 -21.245 1.00 50.15 H new ATOM 0 HG13 VAL A 46 -29.989 59.005 -22.327 1.00 50.15 H new ATOM 0 HG21 VAL A 46 -29.710 55.934 -22.228 1.00 13.12 H new ATOM 0 HG22 VAL A 46 -28.337 57.053 -22.054 1.00 13.12 H new ATOM 0 HG23 VAL A 46 -28.660 55.838 -20.795 1.00 13.12 H new ATOM 682 N THR A 47 -29.065 60.753 -19.779 1.00 74.33 N ATOM 683 CA THR A 47 -29.570 62.114 -19.645 1.00 33.14 C ATOM 684 C THR A 47 -29.891 62.718 -21.006 1.00 41.41 C ATOM 685 O THR A 47 -29.031 62.712 -21.885 1.00 5.04 O ATOM 686 CB THR A 47 -28.556 63.019 -18.918 1.00 73.04 C ATOM 687 OG1 THR A 47 -28.265 62.489 -17.621 1.00 33.43 O ATOM 688 CG2 THR A 47 -29.096 64.435 -18.784 1.00 14.31 C ATOM 0 H THR A 47 -28.072 60.692 -20.005 1.00 74.33 H new ATOM 0 HA THR A 47 -30.484 62.056 -19.053 1.00 33.14 H new ATOM 0 HB THR A 47 -27.641 63.049 -19.509 1.00 73.04 H new ATOM 0 HG1 THR A 47 -27.619 63.070 -17.168 1.00 33.43 H new ATOM 0 HG21 THR A 47 -28.364 65.056 -18.268 1.00 14.31 H new ATOM 0 HG22 THR A 47 -29.287 64.847 -19.775 1.00 14.31 H new ATOM 0 HG23 THR A 47 -30.024 64.418 -18.213 1.00 14.31 H new ATOM 696 N CYS A 48 -31.107 63.224 -21.150 1.00 52.44 N ATOM 697 CA CYS A 48 -31.523 63.827 -22.405 1.00 32.34 C ATOM 698 C CYS A 48 -30.928 65.235 -22.481 1.00 61.33 C ATOM 699 O CYS A 48 -30.830 65.844 -23.547 1.00 60.20 O ATOM 700 CB CYS A 48 -33.046 63.843 -22.547 1.00 54.13 C ATOM 701 SG CYS A 48 -33.589 65.422 -23.295 1.00 54.10 S ATOM 0 H CYS A 48 -31.818 63.229 -20.418 1.00 52.44 H new ATOM 0 HA CYS A 48 -31.152 63.231 -23.239 1.00 32.34 H new ATOM 0 HB2 CYS A 48 -33.370 63.007 -23.167 1.00 54.13 H new ATOM 0 HB3 CYS A 48 -33.512 63.715 -21.570 1.00 54.13 H new ATOM 0 HG CYS A 48 -32.582 65.990 -23.889 1.00 54.10 H new ATOM 706 N GLU A 49 -30.529 65.740 -21.320 1.00 15.25 N ATOM 707 CA GLU A 49 -29.942 67.072 -21.227 1.00 2.21 C ATOM 708 C GLU A 49 -28.719 67.190 -22.132 1.00 22.22 C ATOM 709 O GLU A 49 -28.163 66.187 -22.579 1.00 35.50 O ATOM 710 CB GLU A 49 -29.552 67.384 -19.781 1.00 31.45 C ATOM 711 CG GLU A 49 -28.050 67.437 -19.553 1.00 72.34 C ATOM 712 CD GLU A 49 -27.689 67.822 -18.132 1.00 53.01 C ATOM 713 OE1 GLU A 49 -28.206 68.850 -17.645 1.00 55.44 O ATOM 714 OE2 GLU A 49 -26.889 67.097 -17.506 1.00 13.12 O ATOM 0 H GLU A 49 -30.601 65.248 -20.430 1.00 15.25 H new ATOM 0 HA GLU A 49 -30.689 67.794 -21.556 1.00 2.21 H new ATOM 0 HB2 GLU A 49 -29.988 68.341 -19.494 1.00 31.45 H new ATOM 0 HB3 GLU A 49 -29.984 66.628 -19.126 1.00 31.45 H new ATOM 0 HG2 GLU A 49 -27.617 66.464 -19.783 1.00 72.34 H new ATOM 0 HG3 GLU A 49 -27.607 68.154 -20.244 1.00 72.34 H new ATOM 775 N GLY A 55 -32.231 71.008 -21.130 1.00 24.40 N ATOM 776 CA GLY A 55 -31.974 70.063 -20.058 1.00 4.54 C ATOM 777 C GLY A 55 -33.246 69.595 -19.380 1.00 42.14 C ATOM 778 O GLY A 55 -33.825 70.352 -18.603 1.00 32.13 O ATOM 0 HA2 GLY A 55 -31.441 69.201 -20.458 1.00 4.54 H new ATOM 0 HA3 GLY A 55 -31.321 70.526 -19.318 1.00 4.54 H new ATOM 782 N CYS A 56 -33.658 68.372 -19.684 1.00 34.23 N ATOM 783 CA CYS A 56 -34.866 67.822 -19.095 1.00 13.24 C ATOM 784 C CYS A 56 -34.653 67.702 -17.585 1.00 14.24 C ATOM 785 O CYS A 56 -35.451 68.169 -16.772 1.00 40.11 O ATOM 786 CB CYS A 56 -35.245 66.481 -19.726 1.00 31.15 C ATOM 787 SG CYS A 56 -36.384 66.750 -21.130 1.00 73.25 S ATOM 0 H CYS A 56 -33.176 67.747 -20.331 1.00 34.23 H new ATOM 0 HA CYS A 56 -35.705 68.490 -19.291 1.00 13.24 H new ATOM 0 HB2 CYS A 56 -34.348 65.965 -20.068 1.00 31.15 H new ATOM 0 HB3 CYS A 56 -35.717 65.840 -18.982 1.00 31.15 H new ATOM 0 HG CYS A 56 -36.463 65.663 -21.839 1.00 73.25 H new ATOM 792 N GLY A 57 -33.547 67.059 -17.222 1.00 2.41 N ATOM 793 CA GLY A 57 -33.221 66.873 -15.821 1.00 5.35 C ATOM 794 C GLY A 57 -33.597 65.493 -15.315 1.00 41.25 C ATOM 795 O GLY A 57 -33.105 65.049 -14.279 1.00 23.02 O ATOM 0 H GLY A 57 -32.870 66.663 -17.875 1.00 2.41 H new ATOM 0 HA2 GLY A 57 -32.152 67.031 -15.676 1.00 5.35 H new ATOM 0 HA3 GLY A 57 -33.738 67.627 -15.228 1.00 5.35 H new ATOM 799 N PHE A 58 -34.471 64.816 -16.050 1.00 33.42 N ATOM 800 CA PHE A 58 -34.915 63.479 -15.670 1.00 54.13 C ATOM 801 C PHE A 58 -34.415 62.435 -16.664 1.00 2.54 C ATOM 802 O PHE A 58 -34.965 62.287 -17.754 1.00 50.32 O ATOM 803 CB PHE A 58 -36.442 63.429 -15.587 1.00 52.24 C ATOM 804 CG PHE A 58 -36.972 62.136 -15.037 1.00 53.20 C ATOM 805 CD1 PHE A 58 -37.015 60.997 -15.826 1.00 0.42 C ATOM 806 CD2 PHE A 58 -37.426 62.058 -13.730 1.00 51.52 C ATOM 807 CE1 PHE A 58 -37.500 59.806 -15.322 1.00 33.50 C ATOM 808 CE2 PHE A 58 -37.914 60.869 -13.221 1.00 45.41 C ATOM 809 CZ PHE A 58 -37.951 59.742 -14.019 1.00 12.24 C ATOM 0 H PHE A 58 -34.886 65.170 -16.912 1.00 33.42 H new ATOM 0 HA PHE A 58 -34.497 63.251 -14.690 1.00 54.13 H new ATOM 0 HB2 PHE A 58 -36.791 64.250 -14.961 1.00 52.24 H new ATOM 0 HB3 PHE A 58 -36.857 63.588 -16.582 1.00 52.24 H new ATOM 0 HD1 PHE A 58 -36.665 61.041 -16.847 1.00 0.42 H new ATOM 0 HD2 PHE A 58 -37.398 62.936 -13.102 1.00 51.52 H new ATOM 0 HE1 PHE A 58 -37.526 58.926 -15.947 1.00 33.50 H new ATOM 0 HE2 PHE A 58 -38.266 60.821 -12.201 1.00 45.41 H new ATOM 0 HZ PHE A 58 -38.332 58.812 -13.624 1.00 12.24 H new ATOM 819 N ALA A 59 -33.366 61.717 -16.279 1.00 24.14 N ATOM 820 CA ALA A 59 -32.790 60.686 -17.136 1.00 14.15 C ATOM 821 C ALA A 59 -33.805 59.588 -17.430 1.00 71.15 C ATOM 822 O ALA A 59 -34.813 59.457 -16.735 1.00 30.23 O ATOM 823 CB ALA A 59 -31.544 60.096 -16.488 1.00 70.24 C ATOM 0 H ALA A 59 -32.897 61.829 -15.380 1.00 24.14 H new ATOM 0 HA ALA A 59 -32.510 61.149 -18.082 1.00 14.15 H new ATOM 0 HB1 ALA A 59 -31.125 59.328 -17.138 1.00 70.24 H new ATOM 0 HB2 ALA A 59 -30.806 60.884 -16.334 1.00 70.24 H new ATOM 0 HB3 ALA A 59 -31.808 59.653 -15.528 1.00 70.24 H new ATOM 829 N PHE A 60 -33.535 58.801 -18.467 1.00 3.02 N ATOM 830 CA PHE A 60 -34.426 57.715 -18.856 1.00 24.33 C ATOM 831 C PHE A 60 -33.644 56.425 -19.086 1.00 41.15 C ATOM 832 O PHE A 60 -32.424 56.424 -18.927 1.00 61.13 O ATOM 833 CB PHE A 60 -35.199 58.089 -20.121 1.00 71.44 C ATOM 834 CG PHE A 60 -34.340 58.705 -21.188 1.00 10.41 C ATOM 835 CD1 PHE A 60 -33.807 59.974 -21.021 1.00 31.02 C ATOM 836 CD2 PHE A 60 -34.065 58.018 -22.359 1.00 3.22 C ATOM 837 CE1 PHE A 60 -33.017 60.544 -21.999 1.00 23.02 C ATOM 838 CE2 PHE A 60 -33.273 58.583 -23.342 1.00 53.33 C ATOM 839 CZ PHE A 60 -32.750 59.847 -23.161 1.00 44.40 C ATOM 0 H PHE A 60 -32.705 58.896 -19.053 1.00 3.02 H new ATOM 0 HA PHE A 60 -35.133 57.550 -18.043 1.00 24.33 H new ATOM 0 HB2 PHE A 60 -35.678 57.196 -20.522 1.00 71.44 H new ATOM 0 HB3 PHE A 60 -35.994 58.786 -19.858 1.00 71.44 H new ATOM 0 HD1 PHE A 60 -34.013 60.523 -20.114 1.00 31.02 H new ATOM 0 HD2 PHE A 60 -34.474 57.029 -22.506 1.00 3.22 H new ATOM 0 HE1 PHE A 60 -32.608 61.533 -21.856 1.00 23.02 H new ATOM 0 HE2 PHE A 60 -33.064 58.036 -24.250 1.00 53.33 H new ATOM 0 HZ PHE A 60 -32.132 60.291 -23.928 1.00 44.40 H new ATOM 849 N CYS A 61 -34.354 55.368 -19.452 1.00 72.51 N ATOM 850 CA CYS A 61 -33.717 54.086 -19.698 1.00 25.01 C ATOM 851 C CYS A 61 -33.683 53.849 -21.210 1.00 61.41 C ATOM 852 O CYS A 61 -34.714 53.733 -21.874 1.00 1.30 O ATOM 853 CB CYS A 61 -34.425 52.950 -18.959 1.00 2.41 C ATOM 854 SG CYS A 61 -33.580 51.362 -19.295 1.00 43.14 S ATOM 0 H CYS A 61 -35.365 55.374 -19.584 1.00 72.51 H new ATOM 0 HA CYS A 61 -32.699 54.104 -19.310 1.00 25.01 H new ATOM 0 HB2 CYS A 61 -34.429 53.149 -17.887 1.00 2.41 H new ATOM 0 HB3 CYS A 61 -35.466 52.892 -19.277 1.00 2.41 H new ATOM 0 HG CYS A 61 -33.533 50.656 -18.204 1.00 43.14 H new ATOM 859 N ARG A 62 -32.467 53.780 -21.741 1.00 34.34 N ATOM 860 CA ARG A 62 -32.268 53.559 -23.168 1.00 41.44 C ATOM 861 C ARG A 62 -32.680 52.143 -23.562 1.00 42.11 C ATOM 862 O ARG A 62 -33.066 51.895 -24.704 1.00 74.33 O ATOM 863 CB ARG A 62 -30.805 53.798 -23.544 1.00 4.30 C ATOM 864 CG ARG A 62 -29.895 52.623 -23.225 1.00 2.30 C ATOM 865 CD ARG A 62 -28.427 53.010 -23.334 1.00 14.44 C ATOM 866 NE ARG A 62 -27.553 51.842 -23.348 1.00 62.53 N ATOM 867 CZ ARG A 62 -27.259 51.157 -24.449 1.00 24.02 C ATOM 868 NH1 ARG A 62 -27.768 51.523 -25.617 1.00 71.05 N ATOM 869 NH2 ARG A 62 -26.455 50.103 -24.382 1.00 42.02 N ATOM 0 H ARG A 62 -31.605 53.874 -21.204 1.00 34.34 H new ATOM 0 HA ARG A 62 -32.896 54.266 -23.710 1.00 41.44 H new ATOM 0 HB2 ARG A 62 -30.743 54.015 -24.610 1.00 4.30 H new ATOM 0 HB3 ARG A 62 -30.443 54.681 -23.017 1.00 4.30 H new ATOM 0 HG2 ARG A 62 -30.104 52.263 -22.218 1.00 2.30 H new ATOM 0 HG3 ARG A 62 -30.107 51.801 -23.908 1.00 2.30 H new ATOM 0 HD2 ARG A 62 -28.272 53.590 -24.244 1.00 14.44 H new ATOM 0 HD3 ARG A 62 -28.159 53.653 -22.496 1.00 14.44 H new ATOM 0 HE ARG A 62 -27.145 51.534 -22.465 1.00 62.53 H new ATOM 0 HH11 ARG A 62 -28.387 52.332 -25.673 1.00 71.05 H new ATOM 0 HH12 ARG A 62 -27.541 50.996 -26.460 1.00 71.05 H new ATOM 0 HH21 ARG A 62 -26.062 49.818 -23.485 1.00 42.02 H new ATOM 0 HH22 ARG A 62 -26.230 49.578 -25.227 1.00 42.02 H new ATOM 883 N GLU A 63 -32.595 51.220 -22.608 1.00 44.54 N ATOM 884 CA GLU A 63 -32.957 49.830 -22.858 1.00 12.43 C ATOM 885 C GLU A 63 -34.428 49.713 -23.247 1.00 64.04 C ATOM 886 O GLU A 63 -34.755 48.932 -24.140 1.00 51.42 O ATOM 887 CB GLU A 63 -32.677 48.978 -21.619 1.00 23.22 C ATOM 888 CG GLU A 63 -31.537 47.990 -21.805 1.00 3.41 C ATOM 889 CD GLU A 63 -32.024 46.589 -22.120 1.00 74.04 C ATOM 890 OE1 GLU A 63 -33.137 46.236 -21.679 1.00 74.42 O ATOM 891 OE2 GLU A 63 -31.293 45.847 -22.808 1.00 2.10 O ATOM 0 H GLU A 63 -32.279 51.410 -21.657 1.00 44.54 H new ATOM 0 HA GLU A 63 -32.350 49.465 -23.687 1.00 12.43 H new ATOM 0 HB2 GLU A 63 -32.444 49.635 -20.781 1.00 23.22 H new ATOM 0 HB3 GLU A 63 -33.581 48.431 -21.353 1.00 23.22 H new ATOM 0 HG2 GLU A 63 -30.890 48.335 -22.611 1.00 3.41 H new ATOM 0 HG3 GLU A 63 -30.932 47.965 -20.899 1.00 3.41 H new ATOM 898 N CYS A 64 -35.273 50.483 -22.576 1.00 72.41 N ATOM 899 CA CYS A 64 -36.698 50.455 -22.861 1.00 42.42 C ATOM 900 C CYS A 64 -37.116 51.844 -23.346 1.00 74.33 C ATOM 901 O CYS A 64 -38.294 52.134 -23.560 1.00 72.34 O ATOM 902 CB CYS A 64 -37.509 50.007 -21.645 1.00 32.32 C ATOM 903 SG CYS A 64 -37.030 50.988 -20.175 1.00 64.22 S ATOM 0 H CYS A 64 -34.998 51.130 -21.836 1.00 72.41 H new ATOM 0 HA CYS A 64 -36.902 49.721 -23.641 1.00 42.42 H new ATOM 0 HB2 CYS A 64 -38.574 50.130 -21.843 1.00 32.32 H new ATOM 0 HB3 CYS A 64 -37.340 48.947 -21.456 1.00 32.32 H new ATOM 0 HG CYS A 64 -37.472 50.404 -19.101 1.00 64.22 H new ATOM 908 N LYS A 65 -36.119 52.705 -23.516 1.00 72.43 N ATOM 909 CA LYS A 65 -36.355 54.068 -23.975 1.00 62.13 C ATOM 910 C LYS A 65 -37.544 54.690 -23.249 1.00 70.12 C ATOM 911 O LYS A 65 -38.266 55.512 -23.814 1.00 21.53 O ATOM 912 CB LYS A 65 -36.602 54.084 -25.486 1.00 15.25 C ATOM 913 CG LYS A 65 -37.362 52.870 -25.992 1.00 33.03 C ATOM 914 CD LYS A 65 -37.442 52.853 -27.508 1.00 45.51 C ATOM 915 CE LYS A 65 -38.547 53.764 -28.018 1.00 42.51 C ATOM 916 NZ LYS A 65 -38.011 55.062 -28.517 1.00 14.40 N ATOM 0 H LYS A 65 -35.139 52.483 -23.343 1.00 72.43 H new ATOM 0 HA LYS A 65 -35.466 54.658 -23.751 1.00 62.13 H new ATOM 0 HB2 LYS A 65 -37.159 54.984 -25.745 1.00 15.25 H new ATOM 0 HB3 LYS A 65 -35.643 54.143 -26.002 1.00 15.25 H new ATOM 0 HG2 LYS A 65 -36.872 51.961 -25.643 1.00 33.03 H new ATOM 0 HG3 LYS A 65 -38.369 52.870 -25.574 1.00 33.03 H new ATOM 0 HD2 LYS A 65 -36.487 53.168 -27.927 1.00 45.51 H new ATOM 0 HD3 LYS A 65 -37.621 51.834 -27.853 1.00 45.51 H new ATOM 0 HE2 LYS A 65 -39.089 53.263 -28.820 1.00 42.51 H new ATOM 0 HE3 LYS A 65 -39.262 53.950 -27.217 1.00 42.51 H new ATOM 0 HZ1 LYS A 65 -38.740 55.545 -29.080 1.00 14.40 H new ATOM 0 HZ2 LYS A 65 -37.744 55.661 -27.710 1.00 14.40 H new ATOM 0 HZ3 LYS A 65 -37.175 54.887 -29.110 1.00 14.40 H new ATOM 930 N GLU A 66 -37.738 54.294 -21.996 1.00 71.11 N ATOM 931 CA GLU A 66 -38.839 54.814 -21.192 1.00 61.23 C ATOM 932 C GLU A 66 -38.321 55.441 -19.901 1.00 73.41 C ATOM 933 O GLU A 66 -37.123 55.426 -19.629 1.00 1.13 O ATOM 934 CB GLU A 66 -39.833 53.697 -20.868 1.00 75.34 C ATOM 935 CG GLU A 66 -41.090 53.735 -21.723 1.00 2.20 C ATOM 936 CD GLU A 66 -41.927 54.975 -21.477 1.00 1.44 C ATOM 937 OE1 GLU A 66 -42.445 55.128 -20.351 1.00 3.24 O ATOM 938 OE2 GLU A 66 -42.064 55.794 -22.410 1.00 23.30 O ATOM 0 H GLU A 66 -37.148 53.615 -21.515 1.00 71.11 H new ATOM 0 HA GLU A 66 -39.347 55.586 -21.771 1.00 61.23 H new ATOM 0 HB2 GLU A 66 -39.341 52.734 -21.002 1.00 75.34 H new ATOM 0 HB3 GLU A 66 -40.116 53.767 -19.818 1.00 75.34 H new ATOM 0 HG2 GLU A 66 -40.810 53.693 -22.776 1.00 2.20 H new ATOM 0 HG3 GLU A 66 -41.691 52.849 -21.518 1.00 2.20 H new ATOM 945 N ALA A 67 -39.238 55.991 -19.109 1.00 64.45 N ATOM 946 CA ALA A 67 -38.875 56.622 -17.847 1.00 32.32 C ATOM 947 C ALA A 67 -38.030 55.686 -16.989 1.00 53.42 C ATOM 948 O ALA A 67 -38.304 54.489 -16.904 1.00 60.42 O ATOM 949 CB ALA A 67 -40.126 57.047 -17.092 1.00 35.13 C ATOM 0 H ALA A 67 -40.236 56.012 -19.320 1.00 64.45 H new ATOM 0 HA ALA A 67 -38.279 57.507 -18.069 1.00 32.32 H new ATOM 0 HB1 ALA A 67 -39.841 57.517 -16.151 1.00 35.13 H new ATOM 0 HB2 ALA A 67 -40.692 57.757 -17.695 1.00 35.13 H new ATOM 0 HB3 ALA A 67 -40.743 56.172 -16.888 1.00 35.13 H new ATOM 955 N TYR A 68 -37.002 56.239 -16.354 1.00 74.30 N ATOM 956 CA TYR A 68 -36.115 55.453 -15.505 1.00 51.52 C ATOM 957 C TYR A 68 -36.912 54.651 -14.481 1.00 3.01 C ATOM 958 O TYR A 68 -37.689 55.209 -13.705 1.00 54.14 O ATOM 959 CB TYR A 68 -35.118 56.368 -14.790 1.00 31.44 C ATOM 960 CG TYR A 68 -33.836 55.671 -14.393 1.00 43.22 C ATOM 961 CD1 TYR A 68 -32.853 55.394 -15.335 1.00 43.23 C ATOM 962 CD2 TYR A 68 -33.609 55.289 -13.078 1.00 1.23 C ATOM 963 CE1 TYR A 68 -31.679 54.759 -14.977 1.00 64.35 C ATOM 964 CE2 TYR A 68 -32.438 54.654 -12.711 1.00 64.21 C ATOM 965 CZ TYR A 68 -31.477 54.391 -13.663 1.00 64.32 C ATOM 966 OH TYR A 68 -30.310 53.756 -13.302 1.00 71.24 O ATOM 0 H TYR A 68 -36.763 57.229 -16.411 1.00 74.30 H new ATOM 0 HA TYR A 68 -35.568 54.756 -16.139 1.00 51.52 H new ATOM 0 HB2 TYR A 68 -34.878 57.209 -15.440 1.00 31.44 H new ATOM 0 HB3 TYR A 68 -35.590 56.779 -13.898 1.00 31.44 H new ATOM 0 HD1 TYR A 68 -33.009 55.680 -16.365 1.00 43.23 H new ATOM 0 HD2 TYR A 68 -34.360 55.492 -12.329 1.00 1.23 H new ATOM 0 HE1 TYR A 68 -30.924 54.552 -15.721 1.00 64.35 H new ATOM 0 HE2 TYR A 68 -32.277 54.365 -11.683 1.00 64.21 H new ATOM 0 HH TYR A 68 -29.762 53.601 -14.099 1.00 71.24 H new ATOM 976 N HIS A 69 -36.711 53.337 -14.483 1.00 1.32 N ATOM 977 CA HIS A 69 -37.409 52.456 -13.554 1.00 24.44 C ATOM 978 C HIS A 69 -36.417 51.701 -12.673 1.00 44.51 C ATOM 979 O HIS A 69 -35.504 51.046 -13.172 1.00 63.42 O ATOM 980 CB HIS A 69 -38.286 51.464 -14.319 1.00 33.15 C ATOM 981 CG HIS A 69 -37.600 50.841 -15.494 1.00 30.32 C ATOM 982 ND1 HIS A 69 -36.289 50.791 -15.831 1.00 41.45 N flip ATOM 983 CD2 HIS A 69 -38.276 50.168 -16.490 1.00 30.14 C flip ATOM 984 CE1 HIS A 69 -36.198 50.095 -17.011 1.00 71.23 C flip ATOM 985 NE2 HIS A 69 -37.410 49.731 -17.388 1.00 4.22 N flip ATOM 0 H HIS A 69 -36.071 52.859 -15.117 1.00 1.32 H new ATOM 0 HA HIS A 69 -38.042 53.071 -12.915 1.00 24.44 H new ATOM 0 HB2 HIS A 69 -38.609 50.677 -13.638 1.00 33.15 H new ATOM 0 HB3 HIS A 69 -39.185 51.976 -14.663 1.00 33.15 H new ATOM 0 HD1 HIS A 69 -35.514 51.195 -15.306 1.00 41.45 H new ATOM 0 HD2 HIS A 69 -39.345 50.021 -16.530 1.00 30.14 H new ATOM 0 HE1 HIS A 69 -35.284 49.880 -17.544 1.00 71.23 H new ATOM 993 N GLU A 70 -36.603 51.800 -11.361 1.00 74.30 N ATOM 994 CA GLU A 70 -35.726 51.127 -10.411 1.00 43.41 C ATOM 995 C GLU A 70 -35.878 49.613 -10.506 1.00 62.45 C ATOM 996 O GLU A 70 -36.838 49.042 -9.989 1.00 71.44 O ATOM 997 CB GLU A 70 -36.026 51.593 -8.984 1.00 44.21 C ATOM 998 CG GLU A 70 -35.361 52.911 -8.622 1.00 21.33 C ATOM 999 CD GLU A 70 -35.726 53.384 -7.228 1.00 61.15 C ATOM 1000 OE1 GLU A 70 -36.098 52.534 -6.392 1.00 13.30 O ATOM 1001 OE2 GLU A 70 -35.639 54.604 -6.973 1.00 42.33 O ATOM 0 H GLU A 70 -37.354 52.340 -10.931 1.00 74.30 H new ATOM 0 HA GLU A 70 -34.697 51.387 -10.661 1.00 43.41 H new ATOM 0 HB2 GLU A 70 -37.105 51.694 -8.863 1.00 44.21 H new ATOM 0 HB3 GLU A 70 -35.697 50.825 -8.283 1.00 44.21 H new ATOM 0 HG2 GLU A 70 -34.279 52.799 -8.692 1.00 21.33 H new ATOM 0 HG3 GLU A 70 -35.651 53.671 -9.347 1.00 21.33 H new ATOM 1008 N GLY A 71 -34.925 48.967 -11.170 1.00 32.33 N ATOM 1009 CA GLY A 71 -34.973 47.524 -11.322 1.00 11.32 C ATOM 1010 C GLY A 71 -34.388 47.060 -12.640 1.00 62.25 C ATOM 1011 O GLY A 71 -33.173 46.914 -12.769 1.00 21.50 O ATOM 0 H GLY A 71 -34.120 49.417 -11.606 1.00 32.33 H new ATOM 0 HA2 GLY A 71 -34.428 47.057 -10.502 1.00 11.32 H new ATOM 0 HA3 GLY A 71 -36.007 47.188 -11.249 1.00 11.32 H new ATOM 1015 N GLU A 72 -35.254 46.826 -13.621 1.00 2.33 N ATOM 1016 CA GLU A 72 -34.814 46.374 -14.936 1.00 21.54 C ATOM 1017 C GLU A 72 -36.001 46.217 -15.883 1.00 35.32 C ATOM 1018 O GLU A 72 -37.139 46.154 -15.417 1.00 41.40 O ATOM 1019 CB GLU A 72 -34.065 45.044 -14.817 1.00 3.50 C ATOM 1020 CG GLU A 72 -33.156 44.750 -16.000 1.00 33.03 C ATOM 1021 CD GLU A 72 -31.697 44.646 -15.602 1.00 51.13 C ATOM 1022 OE1 GLU A 72 -31.353 43.711 -14.849 1.00 22.10 O ATOM 1023 OE2 GLU A 72 -30.898 45.498 -16.044 1.00 55.42 O ATOM 0 H GLU A 72 -36.263 46.942 -13.530 1.00 2.33 H new ATOM 0 HA GLU A 72 -34.142 47.128 -15.345 1.00 21.54 H new ATOM 0 HB2 GLU A 72 -33.469 45.053 -13.905 1.00 3.50 H new ATOM 0 HB3 GLU A 72 -34.790 44.236 -14.717 1.00 3.50 H new ATOM 0 HG2 GLU A 72 -33.468 43.817 -16.470 1.00 33.03 H new ATOM 0 HG3 GLU A 72 -33.270 45.537 -16.746 1.00 33.03 H new ATOM 1030 N CYS A 73 -35.714 46.160 -17.175 1.00 15.15 N ATOM 1031 CA CYS A 73 -36.763 46.013 -18.168 1.00 52.42 C ATOM 1032 C CYS A 73 -37.165 44.537 -18.229 1.00 55.44 C ATOM 1033 O CYS A 73 -36.485 43.700 -18.820 1.00 44.13 O ATOM 1034 CB CYS A 73 -36.325 46.541 -19.535 1.00 45.33 C ATOM 1035 SG CYS A 73 -35.052 47.840 -19.327 1.00 21.51 S ATOM 0 H CYS A 73 -34.770 46.213 -17.557 1.00 15.15 H new ATOM 0 HA CYS A 73 -37.627 46.612 -17.879 1.00 52.42 H new ATOM 0 HB2 CYS A 73 -35.928 45.725 -20.139 1.00 45.33 H new ATOM 0 HB3 CYS A 73 -37.184 46.945 -20.070 1.00 45.33 H new ATOM 0 HG CYS A 73 -35.572 49.003 -19.586 1.00 21.51 H new