USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 261 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 44 LYS NZ :NH3+ 167:sc= -3.06! (180deg=-3.98!) USER MOD Set 1.2: A 45 SER OG : rot 112:sc= 1.11 USER MOD Set 2.1: A 30 GLN : amide:sc= 1 K(o=2.1,f=-1.4) USER MOD Set 2.2: A 32 TYR OH : rot 68:sc= 1.1 USER MOD Set 3.1: A 22 ASN : amide:sc= -1.25 K(o=-2.1,f=-3.1) USER MOD Set 3.2: A 24 HIS : no HE2:sc= -0.892 K(o=-2.1,f=-3.5!) USER MOD Single : A 21 SER OG : rot 38:sc= 0.133 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -28:sc= 1.16 USER MOD Single : A 34 ASN : amide:sc= 0.525 K(o=0.52,f=-7.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 53:sc= 0.0263 USER MOD Single : A 40 LYS NZ :NH3+ -105:sc= -1.19 (180deg=-3.34!) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 1.31 (180deg=1.3) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= 2.33 (180deg=-1.6!) USER MOD Single : A 53 HIS : no HD1:sc= -0.579 K(o=-0.58,f=-2.5) USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= 0.898 (180deg=-0.77!) USER MOD ----------------------------------------------------------------- ATOM 294 N SER A 21 -6.245 17.532 13.095 1.00 0.00 N ATOM 295 CA SER A 21 -6.593 17.243 14.436 1.00 0.00 C ATOM 296 C SER A 21 -7.965 16.642 14.519 1.00 0.00 C ATOM 297 O SER A 21 -8.992 17.310 14.589 1.00 0.00 O ATOM 298 CB SER A 21 -6.464 18.400 15.332 1.00 0.00 C ATOM 299 OG SER A 21 -5.165 18.972 15.232 1.00 0.00 O ATOM 0 HA SER A 21 -5.870 16.507 14.787 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.216 19.147 15.079 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.653 18.092 16.360 1.00 0.00 H new ATOM 0 HG SER A 21 -4.863 18.937 14.300 1.00 0.00 H new ATOM 305 N ASN A 22 -7.942 15.393 14.428 1.00 0.00 N ATOM 306 CA ASN A 22 -9.118 14.558 14.442 1.00 0.00 C ATOM 307 C ASN A 22 -9.126 13.766 15.734 1.00 0.00 C ATOM 308 O ASN A 22 -8.438 12.745 15.826 1.00 0.00 O ATOM 309 CB ASN A 22 -9.111 13.625 13.225 1.00 0.00 C ATOM 310 CG ASN A 22 -10.371 12.775 13.064 1.00 0.00 C ATOM 311 OD1 ASN A 22 -10.305 11.670 12.546 1.00 0.00 O ATOM 312 ND2 ASN A 22 -11.515 13.287 13.460 1.00 0.00 N ATOM 0 H ASN A 22 -7.075 14.864 14.336 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.019 15.169 14.388 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.977 14.225 12.325 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.249 12.962 13.298 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.379 12.759 13.338 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.538 14.212 13.889 1.00 0.00 H new ATOM 319 N PRO A 23 -9.840 14.230 16.764 1.00 0.00 N ATOM 320 CA PRO A 23 -9.828 13.578 18.063 1.00 0.00 C ATOM 321 C PRO A 23 -10.510 12.215 18.040 1.00 0.00 C ATOM 322 O PRO A 23 -11.379 11.949 17.206 1.00 0.00 O ATOM 323 CB PRO A 23 -10.552 14.552 19.000 1.00 0.00 C ATOM 324 CG PRO A 23 -10.796 15.793 18.199 1.00 0.00 C ATOM 325 CD PRO A 23 -10.719 15.402 16.751 1.00 0.00 C ATOM 0 HA PRO A 23 -8.809 13.370 18.390 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.490 14.126 19.355 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.947 14.769 19.880 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.772 16.217 18.433 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.053 16.555 18.433 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.702 15.163 16.346 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.309 16.205 16.139 1.00 0.00 H new ATOM 333 N HIS A 24 -10.121 11.383 18.951 1.00 0.00 N ATOM 334 CA HIS A 24 -10.563 10.009 19.045 1.00 0.00 C ATOM 335 C HIS A 24 -10.562 9.631 20.467 1.00 0.00 C ATOM 336 O HIS A 24 -9.581 9.832 21.182 1.00 0.00 O ATOM 337 CB HIS A 24 -9.584 9.064 18.321 1.00 0.00 C ATOM 338 CG HIS A 24 -9.643 9.009 16.803 1.00 0.00 C ATOM 339 ND1 HIS A 24 -9.352 10.055 15.959 1.00 0.00 N ATOM 340 CD2 HIS A 24 -9.964 7.968 15.989 1.00 0.00 C ATOM 341 CE1 HIS A 24 -9.503 9.635 14.708 1.00 0.00 C ATOM 342 NE2 HIS A 24 -9.872 8.366 14.663 1.00 0.00 N ATOM 0 H HIS A 24 -9.461 11.642 19.684 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.551 9.925 18.592 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.571 9.348 18.607 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.751 8.055 18.699 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -9.069 10.992 16.245 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.248 6.981 16.324 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.344 10.253 13.836 1.00 0.00 H new ATOM 350 N CYS A 25 -11.633 9.128 20.881 1.00 0.00 N ATOM 351 CA CYS A 25 -11.735 8.592 22.166 1.00 0.00 C ATOM 352 C CYS A 25 -11.701 7.122 21.984 1.00 0.00 C ATOM 353 O CYS A 25 -12.689 6.519 21.558 1.00 0.00 O ATOM 354 CB CYS A 25 -13.002 8.999 22.876 1.00 0.00 C ATOM 355 SG CYS A 25 -12.969 8.508 24.637 1.00 0.00 S ATOM 0 H CYS A 25 -12.489 9.072 20.329 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.922 8.962 22.791 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -13.132 10.079 22.800 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.860 8.539 22.385 1.00 0.00 H new ATOM 360 N GLY A 26 -10.583 6.536 22.277 1.00 0.00 N ATOM 361 CA GLY A 26 -10.389 5.182 21.977 1.00 0.00 C ATOM 362 C GLY A 26 -11.124 4.323 22.915 1.00 0.00 C ATOM 363 O GLY A 26 -11.517 4.766 24.011 1.00 0.00 O ATOM 0 H GLY A 26 -9.792 6.994 22.729 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.720 4.981 20.958 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.326 4.946 22.019 1.00 0.00 H new ATOM 367 N SER A 27 -11.344 3.123 22.520 1.00 0.00 N ATOM 368 CA SER A 27 -11.953 2.141 23.368 1.00 0.00 C ATOM 369 C SER A 27 -11.013 1.782 24.556 1.00 0.00 C ATOM 370 O SER A 27 -11.397 1.063 25.454 1.00 0.00 O ATOM 371 CB SER A 27 -12.344 0.902 22.570 1.00 0.00 C ATOM 372 OG SER A 27 -13.200 1.268 21.503 1.00 0.00 O ATOM 0 H SER A 27 -11.107 2.781 21.589 1.00 0.00 H new ATOM 0 HA SER A 27 -12.867 2.565 23.784 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.451 0.413 22.180 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.844 0.183 23.219 1.00 0.00 H new ATOM 0 HG SER A 27 -13.447 0.469 20.993 1.00 0.00 H new ATOM 378 N ASP A 28 -9.775 2.362 24.533 1.00 0.00 N ATOM 379 CA ASP A 28 -8.780 2.270 25.624 1.00 0.00 C ATOM 380 C ASP A 28 -9.249 3.138 26.741 1.00 0.00 C ATOM 381 O ASP A 28 -8.706 3.175 27.827 1.00 0.00 O ATOM 382 CB ASP A 28 -7.390 2.716 25.128 1.00 0.00 C ATOM 383 CG ASP A 28 -6.225 2.215 25.996 1.00 0.00 C ATOM 384 OD1 ASP A 28 -5.744 1.070 25.768 1.00 0.00 O ATOM 385 OD2 ASP A 28 -5.737 2.944 26.875 1.00 0.00 O ATOM 0 H ASP A 28 -9.445 2.912 23.740 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.685 1.239 25.966 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.248 2.360 24.108 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.361 3.805 25.092 1.00 0.00 H new ATOM 390 N GLY A 29 -10.284 3.862 26.437 1.00 0.00 N ATOM 391 CA GLY A 29 -10.876 4.710 27.376 1.00 0.00 C ATOM 392 C GLY A 29 -10.463 6.090 27.111 1.00 0.00 C ATOM 393 O GLY A 29 -11.265 7.015 27.205 1.00 0.00 O ATOM 0 H GLY A 29 -10.730 3.867 25.520 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.962 4.627 27.324 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.581 4.417 28.384 1.00 0.00 H new ATOM 397 N GLN A 30 -9.254 6.202 26.662 1.00 0.00 N ATOM 398 CA GLN A 30 -8.609 7.477 26.509 1.00 0.00 C ATOM 399 C GLN A 30 -8.994 8.270 25.323 1.00 0.00 C ATOM 400 O GLN A 30 -9.439 7.750 24.320 1.00 0.00 O ATOM 401 CB GLN A 30 -7.138 7.350 26.604 1.00 0.00 C ATOM 402 CG GLN A 30 -6.794 6.843 27.918 1.00 0.00 C ATOM 403 CD GLN A 30 -5.308 6.694 28.158 1.00 0.00 C ATOM 404 OE1 GLN A 30 -4.496 7.459 27.644 1.00 0.00 O ATOM 405 NE2 GLN A 30 -4.936 5.683 28.889 1.00 0.00 N ATOM 0 H GLN A 30 -8.677 5.407 26.387 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.988 8.058 27.350 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.767 6.677 25.831 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.665 8.318 26.438 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.207 7.513 28.673 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.272 5.873 28.057 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.636 5.067 29.301 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.944 5.507 29.049 1.00 0.00 H new ATOM 414 N THR A 31 -8.819 9.538 25.463 1.00 0.00 N ATOM 415 CA THR A 31 -9.074 10.468 24.387 1.00 0.00 C ATOM 416 C THR A 31 -7.776 11.057 23.894 1.00 0.00 C ATOM 417 O THR A 31 -6.941 11.498 24.680 1.00 0.00 O ATOM 418 CB THR A 31 -10.040 11.606 24.775 1.00 0.00 C ATOM 419 OG1 THR A 31 -11.305 11.058 25.196 1.00 0.00 O ATOM 420 CG2 THR A 31 -10.260 12.560 23.586 1.00 0.00 C ATOM 0 H THR A 31 -8.494 9.974 26.326 1.00 0.00 H new ATOM 0 HA THR A 31 -9.559 9.896 23.596 1.00 0.00 H new ATOM 0 HB THR A 31 -9.597 12.167 25.598 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.450 10.195 24.756 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.944 13.356 23.880 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.306 12.994 23.286 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.686 12.006 22.749 1.00 0.00 H new ATOM 428 N TYR A 32 -7.609 11.038 22.608 1.00 0.00 N ATOM 429 CA TYR A 32 -6.455 11.556 21.984 1.00 0.00 C ATOM 430 C TYR A 32 -6.849 12.652 21.024 1.00 0.00 C ATOM 431 O TYR A 32 -7.871 12.555 20.336 1.00 0.00 O ATOM 432 CB TYR A 32 -5.685 10.435 21.306 1.00 0.00 C ATOM 433 CG TYR A 32 -5.241 9.385 22.298 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.093 9.564 23.058 1.00 0.00 C ATOM 435 CD2 TYR A 32 -5.993 8.239 22.506 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.701 8.626 23.988 1.00 0.00 C ATOM 437 CE2 TYR A 32 -5.615 7.303 23.434 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.466 7.498 24.174 1.00 0.00 C ATOM 439 OH TYR A 32 -4.089 6.558 25.098 1.00 0.00 O ATOM 0 H TYR A 32 -8.293 10.651 21.958 1.00 0.00 H new ATOM 0 HA TYR A 32 -5.790 11.996 22.727 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.311 9.973 20.542 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.814 10.847 20.797 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.497 10.454 22.918 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.891 8.081 21.928 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.801 8.775 24.566 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.214 6.417 23.585 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.169 6.935 25.999 1.00 0.00 H new ATOM 449 N GLY A 33 -6.061 13.700 21.044 1.00 0.00 N ATOM 450 CA GLY A 33 -6.282 14.908 20.244 1.00 0.00 C ATOM 451 C GLY A 33 -6.377 14.674 18.747 1.00 0.00 C ATOM 452 O GLY A 33 -7.111 15.369 18.059 1.00 0.00 O ATOM 0 H GLY A 33 -5.225 13.750 21.627 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.201 15.387 20.581 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.469 15.608 20.437 1.00 0.00 H new ATOM 456 N ASN A 34 -5.628 13.727 18.236 1.00 0.00 N ATOM 457 CA ASN A 34 -5.701 13.402 16.839 1.00 0.00 C ATOM 458 C ASN A 34 -5.443 11.926 16.659 1.00 0.00 C ATOM 459 O ASN A 34 -5.172 11.233 17.639 1.00 0.00 O ATOM 460 CB ASN A 34 -4.790 14.309 15.954 1.00 0.00 C ATOM 461 CG ASN A 34 -3.292 14.198 16.194 1.00 0.00 C ATOM 462 OD1 ASN A 34 -2.780 13.158 16.542 1.00 0.00 O ATOM 463 ND2 ASN A 34 -2.589 15.282 15.995 1.00 0.00 N ATOM 0 H ASN A 34 -4.961 13.169 18.770 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.708 13.615 16.481 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.987 14.075 14.908 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.086 15.347 16.110 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.578 15.267 16.133 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.051 16.143 15.702 1.00 0.00 H new ATOM 470 N LYS A 35 -5.503 11.430 15.442 1.00 0.00 N ATOM 471 CA LYS A 35 -5.385 9.991 15.233 1.00 0.00 C ATOM 472 C LYS A 35 -3.977 9.535 15.404 1.00 0.00 C ATOM 473 O LYS A 35 -3.705 8.426 15.779 1.00 0.00 O ATOM 474 CB LYS A 35 -5.934 9.598 13.901 1.00 0.00 C ATOM 475 CG LYS A 35 -6.206 8.112 13.737 1.00 0.00 C ATOM 476 CD LYS A 35 -7.114 7.861 12.547 1.00 0.00 C ATOM 477 CE LYS A 35 -7.592 6.422 12.512 1.00 0.00 C ATOM 478 NZ LYS A 35 -8.701 6.235 11.536 1.00 0.00 N ATOM 0 H LYS A 35 -5.630 11.983 14.594 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.982 9.490 15.995 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.862 10.144 13.731 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.233 9.912 13.128 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.265 7.578 13.602 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.668 7.720 14.643 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.973 8.531 12.595 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.581 8.092 11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.761 5.768 12.248 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.928 6.125 13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.002 5.240 11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.504 6.840 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.373 6.494 10.584 1.00 0.00 H new ATOM 492 N CYS A 36 -3.124 10.397 15.101 1.00 0.00 N ATOM 493 CA CYS A 36 -1.670 10.199 15.321 1.00 0.00 C ATOM 494 C CYS A 36 -1.366 9.993 16.777 1.00 0.00 C ATOM 495 O CYS A 36 -0.554 9.136 17.170 1.00 0.00 O ATOM 496 CB CYS A 36 -0.885 11.364 14.736 1.00 0.00 C ATOM 497 SG CYS A 36 0.636 10.873 13.821 1.00 0.00 S ATOM 0 H CYS A 36 -3.360 11.297 14.682 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.359 9.293 14.801 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.535 11.923 14.063 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.606 12.040 15.544 1.00 0.00 H new ATOM 0 HG CYS A 36 1.228 11.935 13.362 1.00 0.00 H new ATOM 502 N ALA A 37 -2.057 10.731 17.547 1.00 0.00 N ATOM 503 CA ALA A 37 -2.014 10.658 18.994 1.00 0.00 C ATOM 504 C ALA A 37 -2.644 9.342 19.438 1.00 0.00 C ATOM 505 O ALA A 37 -2.265 8.753 20.429 1.00 0.00 O ATOM 506 CB ALA A 37 -2.799 11.817 19.541 1.00 0.00 C ATOM 0 H ALA A 37 -2.702 11.440 17.198 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.988 10.702 19.359 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.783 11.786 20.630 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.355 12.751 19.198 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.830 11.756 19.192 1.00 0.00 H new ATOM 512 N PHE A 38 -3.599 8.906 18.677 1.00 0.00 N ATOM 513 CA PHE A 38 -4.280 7.650 18.914 1.00 0.00 C ATOM 514 C PHE A 38 -3.479 6.419 18.375 1.00 0.00 C ATOM 515 O PHE A 38 -3.743 5.327 18.773 1.00 0.00 O ATOM 516 CB PHE A 38 -5.718 7.718 18.332 1.00 0.00 C ATOM 517 CG PHE A 38 -6.581 6.494 18.547 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.732 5.938 19.809 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.256 5.915 17.484 1.00 0.00 C ATOM 520 CE1 PHE A 38 -7.530 4.830 20.003 1.00 0.00 C ATOM 521 CE2 PHE A 38 -8.058 4.805 17.673 1.00 0.00 C ATOM 522 CZ PHE A 38 -8.194 4.262 18.934 1.00 0.00 C ATOM 0 H PHE A 38 -3.940 9.412 17.860 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.349 7.499 19.991 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.226 8.577 18.771 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.646 7.903 17.260 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.218 6.379 20.650 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.154 6.337 16.495 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.635 4.407 20.991 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.577 4.364 16.835 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.819 3.394 19.085 1.00 0.00 H new ATOM 532 N CYS A 39 -2.476 6.618 17.510 1.00 0.00 N ATOM 533 CA CYS A 39 -1.684 5.487 16.956 1.00 0.00 C ATOM 534 C CYS A 39 -1.024 4.667 18.019 1.00 0.00 C ATOM 535 O CYS A 39 -1.272 3.495 18.102 1.00 0.00 O ATOM 536 CB CYS A 39 -0.662 5.956 15.924 1.00 0.00 C ATOM 537 SG CYS A 39 -1.330 6.350 14.280 1.00 0.00 S ATOM 0 H CYS A 39 -2.188 7.537 17.175 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.403 4.842 16.451 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.159 6.841 16.314 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.097 5.181 15.812 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.315 7.190 14.402 1.00 0.00 H new ATOM 542 N LYS A 40 -0.289 5.306 18.893 1.00 0.00 N ATOM 543 CA LYS A 40 0.467 4.662 19.928 1.00 0.00 C ATOM 544 C LYS A 40 -0.414 4.109 20.955 1.00 0.00 C ATOM 545 O LYS A 40 -0.084 3.233 21.708 1.00 0.00 O ATOM 546 CB LYS A 40 1.395 5.623 20.570 1.00 0.00 C ATOM 547 CG LYS A 40 0.825 6.934 21.106 1.00 0.00 C ATOM 548 CD LYS A 40 0.598 8.039 20.076 1.00 0.00 C ATOM 549 CE LYS A 40 1.866 8.510 19.298 1.00 0.00 C ATOM 550 NZ LYS A 40 2.357 7.572 18.242 1.00 0.00 N ATOM 0 H LYS A 40 -0.200 6.322 18.901 1.00 0.00 H new ATOM 0 HA LYS A 40 1.033 3.855 19.463 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.884 5.110 21.398 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.171 5.870 19.846 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.125 6.720 21.595 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.500 7.313 21.873 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.140 7.691 19.354 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.165 8.901 20.584 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.650 9.472 18.833 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.670 8.676 20.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.211 7.085 18.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.619 6.870 18.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.583 8.108 17.380 1.00 0.00 H new ATOM 564 N ALA A 41 -1.467 4.695 20.995 1.00 0.00 N ATOM 565 CA ALA A 41 -2.549 4.327 21.820 1.00 0.00 C ATOM 566 C ALA A 41 -3.274 3.129 21.290 1.00 0.00 C ATOM 567 O ALA A 41 -3.918 2.458 22.015 1.00 0.00 O ATOM 568 CB ALA A 41 -3.450 5.376 21.816 1.00 0.00 C ATOM 0 H ALA A 41 -1.660 5.518 20.424 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.161 4.096 22.812 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.303 5.125 22.446 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.966 6.273 22.201 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.793 5.558 20.797 1.00 0.00 H new ATOM 574 N ILE A 42 -3.217 2.899 20.013 1.00 0.00 N ATOM 575 CA ILE A 42 -3.765 1.665 19.467 1.00 0.00 C ATOM 576 C ILE A 42 -2.823 0.604 19.858 1.00 0.00 C ATOM 577 O ILE A 42 -3.180 -0.483 20.322 1.00 0.00 O ATOM 578 CB ILE A 42 -3.817 1.828 17.972 1.00 0.00 C ATOM 579 CG1 ILE A 42 -4.950 2.709 17.678 1.00 0.00 C ATOM 580 CG2 ILE A 42 -3.907 0.519 17.271 1.00 0.00 C ATOM 581 CD1 ILE A 42 -4.789 3.444 16.414 1.00 0.00 C ATOM 0 H ILE A 42 -2.805 3.531 19.326 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.766 1.426 19.827 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.895 2.275 17.601 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.863 2.116 17.634 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.071 3.421 18.494 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.942 0.685 16.194 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.034 -0.086 17.517 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.811 -0.002 17.588 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.659 4.080 16.250 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.892 4.062 16.464 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.696 2.736 15.591 1.00 0.00 H new ATOM 593 N VAL A 43 -1.627 0.994 19.729 1.00 0.00 N ATOM 594 CA VAL A 43 -0.460 0.258 20.135 1.00 0.00 C ATOM 595 C VAL A 43 -0.521 -0.063 21.638 1.00 0.00 C ATOM 596 O VAL A 43 -0.035 -1.108 22.066 1.00 0.00 O ATOM 597 CB VAL A 43 0.766 1.108 19.795 1.00 0.00 C ATOM 598 CG1 VAL A 43 2.102 0.475 20.188 1.00 0.00 C ATOM 599 CG2 VAL A 43 0.711 1.455 18.325 1.00 0.00 C ATOM 0 H VAL A 43 -1.395 1.895 19.311 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.405 -0.696 19.610 1.00 0.00 H new ATOM 0 HB VAL A 43 0.722 2.014 20.399 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.917 1.144 19.911 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.122 0.305 21.265 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.221 -0.476 19.669 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.577 2.062 18.062 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.717 0.539 17.734 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.201 2.015 18.117 1.00 0.00 H new ATOM 609 N LYS A 44 -1.189 0.829 22.407 1.00 0.00 N ATOM 610 CA LYS A 44 -1.383 0.666 23.864 1.00 0.00 C ATOM 611 C LYS A 44 -1.876 -0.689 24.257 1.00 0.00 C ATOM 612 O LYS A 44 -1.419 -1.260 25.243 1.00 0.00 O ATOM 613 CB LYS A 44 -2.391 1.666 24.353 1.00 0.00 C ATOM 614 CG LYS A 44 -1.817 2.851 25.060 1.00 0.00 C ATOM 615 CD LYS A 44 -1.372 2.494 26.488 1.00 0.00 C ATOM 616 CE LYS A 44 -2.559 2.287 27.483 1.00 0.00 C ATOM 617 NZ LYS A 44 -3.497 1.168 27.143 1.00 0.00 N ATOM 0 H LYS A 44 -1.608 1.681 22.033 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.400 0.813 24.312 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.974 2.018 23.501 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.084 1.161 25.026 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.966 3.234 24.498 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.559 3.648 25.098 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.774 1.583 26.456 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.726 3.286 26.867 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.150 2.106 28.477 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.131 3.213 27.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.110 0.969 27.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.083 1.442 26.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.950 0.316 26.905 1.00 0.00 H new ATOM 631 N SER A 45 -2.812 -1.173 23.530 1.00 0.00 N ATOM 632 CA SER A 45 -3.360 -2.456 23.823 1.00 0.00 C ATOM 633 C SER A 45 -3.504 -3.316 22.554 1.00 0.00 C ATOM 634 O SER A 45 -4.609 -3.609 22.078 1.00 0.00 O ATOM 635 CB SER A 45 -4.680 -2.348 24.632 1.00 0.00 C ATOM 636 OG SER A 45 -4.548 -1.402 25.720 1.00 0.00 O ATOM 0 H SER A 45 -3.221 -0.703 22.722 1.00 0.00 H new ATOM 0 HA SER A 45 -2.651 -2.977 24.467 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.490 -2.038 23.972 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.949 -3.327 25.028 1.00 0.00 H new ATOM 0 HG SER A 45 -5.111 -0.619 25.543 1.00 0.00 H new ATOM 642 N GLY A 46 -2.370 -3.582 21.934 1.00 0.00 N ATOM 643 CA GLY A 46 -2.280 -4.564 20.920 1.00 0.00 C ATOM 644 C GLY A 46 -2.656 -4.190 19.536 1.00 0.00 C ATOM 645 O GLY A 46 -2.646 -5.043 18.654 1.00 0.00 O ATOM 0 H GLY A 46 -1.490 -3.108 22.136 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.251 -4.924 20.898 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.906 -5.405 21.217 1.00 0.00 H new ATOM 649 N GLY A 47 -3.038 -2.999 19.317 1.00 0.00 N ATOM 650 CA GLY A 47 -3.460 -2.626 18.011 1.00 0.00 C ATOM 651 C GLY A 47 -4.940 -2.873 17.814 1.00 0.00 C ATOM 652 O GLY A 47 -5.582 -2.317 16.932 1.00 0.00 O ATOM 0 H GLY A 47 -3.072 -2.257 20.016 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.241 -1.571 17.844 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.894 -3.190 17.270 1.00 0.00 H new ATOM 656 N LYS A 48 -5.458 -3.702 18.654 1.00 0.00 N ATOM 657 CA LYS A 48 -6.800 -4.182 18.600 1.00 0.00 C ATOM 658 C LYS A 48 -7.824 -3.190 19.117 1.00 0.00 C ATOM 659 O LYS A 48 -9.022 -3.397 18.953 1.00 0.00 O ATOM 660 CB LYS A 48 -6.824 -5.459 19.378 1.00 0.00 C ATOM 661 CG LYS A 48 -5.717 -6.439 18.910 1.00 0.00 C ATOM 662 CD LYS A 48 -5.835 -6.706 17.411 1.00 0.00 C ATOM 663 CE LYS A 48 -4.587 -7.340 16.793 1.00 0.00 C ATOM 664 NZ LYS A 48 -3.557 -6.310 16.466 1.00 0.00 N ATOM 0 H LYS A 48 -4.931 -4.084 19.439 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.089 -4.340 17.561 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.693 -5.241 20.438 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.799 -5.933 19.268 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.735 -6.022 19.134 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.798 -7.377 19.460 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.688 -7.361 17.235 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.044 -5.766 16.900 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.167 -8.070 17.485 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.862 -7.881 15.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.731 -6.770 16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.957 -5.619 15.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.265 -5.822 17.337 1.00 0.00 H new ATOM 678 N ILE A 49 -7.362 -2.138 19.734 1.00 0.00 N ATOM 679 CA ILE A 49 -8.247 -1.098 20.215 1.00 0.00 C ATOM 680 C ILE A 49 -8.989 -0.452 19.042 1.00 0.00 C ATOM 681 O ILE A 49 -8.481 -0.376 17.918 1.00 0.00 O ATOM 682 CB ILE A 49 -7.448 -0.031 20.961 1.00 0.00 C ATOM 683 CG1 ILE A 49 -6.634 -0.695 22.036 1.00 0.00 C ATOM 684 CG2 ILE A 49 -8.359 1.041 21.580 1.00 0.00 C ATOM 685 CD1 ILE A 49 -5.671 0.222 22.654 1.00 0.00 C ATOM 0 H ILE A 49 -6.373 -1.972 19.919 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.971 -1.546 20.895 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.796 0.472 20.246 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.301 -1.088 22.803 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.101 -1.546 21.611 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.750 1.780 22.101 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.930 1.532 20.792 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.044 0.572 22.287 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.108 -0.306 23.424 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.984 0.595 21.894 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.204 1.060 23.104 1.00 0.00 H new ATOM 697 N SER A 50 -10.167 -0.015 19.315 1.00 0.00 N ATOM 698 CA SER A 50 -11.004 0.603 18.360 1.00 0.00 C ATOM 699 C SER A 50 -11.404 1.939 18.929 1.00 0.00 C ATOM 700 O SER A 50 -10.922 2.324 20.002 1.00 0.00 O ATOM 701 CB SER A 50 -12.217 -0.285 18.100 1.00 0.00 C ATOM 702 OG SER A 50 -11.795 -1.580 17.686 1.00 0.00 O ATOM 0 H SER A 50 -10.585 -0.082 20.243 1.00 0.00 H new ATOM 0 HA SER A 50 -10.498 0.746 17.405 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.821 -0.363 19.004 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.848 0.163 17.332 1.00 0.00 H new ATOM 0 HG SER A 50 -12.580 -2.143 17.523 1.00 0.00 H new ATOM 708 N LEU A 51 -12.177 2.665 18.230 1.00 0.00 N ATOM 709 CA LEU A 51 -12.612 3.857 18.633 1.00 0.00 C ATOM 710 C LEU A 51 -14.005 3.842 19.210 1.00 0.00 C ATOM 711 O LEU A 51 -14.858 3.104 18.743 1.00 0.00 O ATOM 712 CB LEU A 51 -12.659 4.692 17.477 1.00 0.00 C ATOM 713 CG LEU A 51 -12.968 6.027 17.831 1.00 0.00 C ATOM 714 CD1 LEU A 51 -11.838 6.541 18.595 1.00 0.00 C ATOM 715 CD2 LEU A 51 -13.288 6.779 16.668 1.00 0.00 C ATOM 0 H LEU A 51 -12.522 2.391 17.310 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.936 4.200 19.416 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.699 4.661 16.962 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.407 4.314 16.780 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.856 6.098 18.460 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.036 7.572 18.889 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.694 5.931 19.487 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.938 6.505 17.982 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.524 7.805 16.951 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.436 6.777 15.988 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.149 6.332 16.171 1.00 0.00 H new ATOM 727 N LYS A 52 -14.208 4.623 20.253 1.00 0.00 N ATOM 728 CA LYS A 52 -15.545 4.878 20.687 1.00 0.00 C ATOM 729 C LYS A 52 -16.085 6.045 19.926 1.00 0.00 C ATOM 730 O LYS A 52 -17.101 5.974 19.256 1.00 0.00 O ATOM 731 CB LYS A 52 -15.681 5.277 22.128 1.00 0.00 C ATOM 732 CG LYS A 52 -14.829 4.625 23.135 1.00 0.00 C ATOM 733 CD LYS A 52 -15.438 4.898 24.511 1.00 0.00 C ATOM 734 CE LYS A 52 -14.476 4.710 25.660 1.00 0.00 C ATOM 735 NZ LYS A 52 -13.442 5.760 25.654 1.00 0.00 N ATOM 0 H LYS A 52 -13.475 5.078 20.798 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.070 3.936 20.528 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.500 6.350 22.190 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.718 5.111 22.418 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.771 3.553 22.949 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.812 5.013 23.084 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.817 5.920 24.532 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.293 4.238 24.655 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.021 4.735 26.604 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.005 3.729 25.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.203 6.018 26.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.591 5.407 25.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.801 6.598 25.153 1.00 0.00 H new ATOM 749 N HIS A 53 -15.359 7.105 20.014 1.00 0.00 N ATOM 750 CA HIS A 53 -15.882 8.404 19.572 1.00 0.00 C ATOM 751 C HIS A 53 -14.936 9.129 18.679 1.00 0.00 C ATOM 752 O HIS A 53 -13.734 9.198 18.977 1.00 0.00 O ATOM 753 CB HIS A 53 -16.128 9.377 20.760 1.00 0.00 C ATOM 754 CG HIS A 53 -17.166 9.026 21.789 1.00 0.00 C ATOM 755 ND1 HIS A 53 -17.450 9.843 22.859 1.00 0.00 N ATOM 756 CD2 HIS A 53 -17.978 7.949 21.920 1.00 0.00 C ATOM 757 CE1 HIS A 53 -18.394 9.256 23.593 1.00 0.00 C ATOM 758 NE2 HIS A 53 -18.753 8.098 23.068 1.00 0.00 N ATOM 0 H HIS A 53 -14.407 7.126 20.381 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.808 8.151 19.055 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.179 9.506 21.281 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -16.396 10.347 20.341 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -18.018 7.109 21.242 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.811 9.672 24.498 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -19.452 7.448 23.428 1.00 0.00 H new ATOM 766 N PRO A 54 -15.429 9.664 17.559 1.00 0.00 N ATOM 767 CA PRO A 54 -14.700 10.662 16.827 1.00 0.00 C ATOM 768 C PRO A 54 -14.892 11.952 17.620 1.00 0.00 C ATOM 769 O PRO A 54 -15.989 12.511 17.673 1.00 0.00 O ATOM 770 CB PRO A 54 -15.422 10.742 15.464 1.00 0.00 C ATOM 771 CG PRO A 54 -16.422 9.627 15.472 1.00 0.00 C ATOM 772 CD PRO A 54 -16.702 9.326 16.914 1.00 0.00 C ATOM 0 HA PRO A 54 -13.637 10.467 16.685 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.912 11.707 15.336 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.717 10.631 14.640 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -17.334 9.918 14.951 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -16.029 8.748 14.960 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.526 9.926 17.302 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.970 8.280 17.066 1.00 0.00 H new ATOM 780 N GLY A 55 -13.858 12.389 18.238 1.00 0.00 N ATOM 781 CA GLY A 55 -13.955 13.439 19.202 1.00 0.00 C ATOM 782 C GLY A 55 -13.562 12.875 20.538 1.00 0.00 C ATOM 783 O GLY A 55 -13.106 11.734 20.613 1.00 0.00 O ATOM 0 H GLY A 55 -12.913 12.032 18.094 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.302 14.268 18.930 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.971 13.832 19.237 1.00 0.00 H new ATOM 787 N LYS A 56 -13.675 13.649 21.567 1.00 0.00 N ATOM 788 CA LYS A 56 -13.389 13.189 22.871 1.00 0.00 C ATOM 789 C LYS A 56 -14.555 12.408 23.443 1.00 0.00 C ATOM 790 O LYS A 56 -15.627 12.302 22.837 1.00 0.00 O ATOM 791 CB LYS A 56 -13.123 14.386 23.794 1.00 0.00 C ATOM 792 CG LYS A 56 -14.384 15.140 24.206 1.00 0.00 C ATOM 793 CD LYS A 56 -14.097 16.138 25.316 1.00 0.00 C ATOM 794 CE LYS A 56 -15.378 16.576 26.031 1.00 0.00 C ATOM 795 NZ LYS A 56 -16.046 15.445 26.747 1.00 0.00 N ATOM 0 H LYS A 56 -13.971 14.624 21.518 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.514 12.542 22.810 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.612 14.035 24.690 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.446 15.077 23.291 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.795 15.663 23.342 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.141 14.430 24.540 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.412 15.692 26.037 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.596 17.012 24.899 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.141 17.365 26.745 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.070 17.001 25.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.662 15.823 27.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.617 14.896 26.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.324 14.828 27.172 1.00 0.00 H new ATOM 809 N CYS A 57 -14.324 11.862 24.581 1.00 0.00 N ATOM 810 CA CYS A 57 -15.410 11.355 25.374 1.00 0.00 C ATOM 811 C CYS A 57 -15.907 12.505 26.230 1.00 0.00 C ATOM 812 O CYS A 57 -15.249 12.865 27.224 1.00 0.00 O ATOM 813 CB CYS A 57 -15.028 10.127 26.209 1.00 0.00 C ATOM 814 SG CYS A 57 -14.888 8.565 25.241 1.00 0.00 S ATOM 815 OXT CYS A 57 -16.889 13.169 25.833 1.00 0.00 O ATOM 0 H CYS A 57 -13.398 11.750 24.994 1.00 0.00 H new ATOM 0 HA CYS A 57 -16.204 10.992 24.721 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -14.076 10.320 26.704 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -15.773 9.989 26.993 1.00 0.00 H new