USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=15 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 34 ASN : amide:sc= -1.29 K(o=-1.3,f=-8.8!) USER MOD Set 1.2: A 36 CYS SG : rot 180:sc=-0.00367 USER MOD Set 2.1: A 30 GLN : amide:sc= -0.364 K(o=2.1,f=-1.7!) USER MOD Set 2.2: A 32 TYR OH : rot 130:sc= 0.737 USER MOD Set 2.3: A 40 LYS NZ :NH3+ -158:sc= 1.72 (180deg=-0.00422) USER MOD Set 3.1: A 22 ASN : amide:sc= -0.0195 K(o=-0.67,f=-3.4) USER MOD Set 3.2: A 24 HIS : no HE2:sc= -0.648 K(o=-0.67,f=-5.2!) USER MOD Single : A 21 SER OG : rot -37:sc= 0.576 USER MOD Single : A 27 SER OG : rot 157:sc= 0.587 USER MOD Single : A 31 THR OG1 : rot 140:sc= -0.0572 USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 39 CYS SG : rot -77:sc= 0.358 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -1.14 (180deg=-1.67) USER MOD Single : A 45 SER OG : rot 90:sc= 0.0163 USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -0.553 (180deg=-2.59!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= 1.36 (180deg=0.462) USER MOD Single : A 53 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.3) USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= 0.796 (180deg=-1.02!) USER MOD ----------------------------------------------------------------- ATOM 294 N SER A 21 -6.605 14.743 11.317 1.00 0.00 N ATOM 295 CA SER A 21 -6.726 15.562 12.524 1.00 0.00 C ATOM 296 C SER A 21 -8.021 15.258 13.284 1.00 0.00 C ATOM 297 O SER A 21 -8.456 16.020 14.135 1.00 0.00 O ATOM 298 CB SER A 21 -6.779 16.980 12.058 1.00 0.00 C ATOM 299 OG SER A 21 -6.736 17.907 13.123 1.00 0.00 O ATOM 0 HA SER A 21 -5.890 15.362 13.195 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.943 17.168 11.384 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.692 17.135 11.484 1.00 0.00 H new ATOM 0 HG SER A 21 -7.247 17.557 13.882 1.00 0.00 H new ATOM 305 N ASN A 22 -8.602 14.181 12.942 1.00 0.00 N ATOM 306 CA ASN A 22 -9.867 13.713 13.539 1.00 0.00 C ATOM 307 C ASN A 22 -9.634 13.244 14.982 1.00 0.00 C ATOM 308 O ASN A 22 -8.997 12.219 15.173 1.00 0.00 O ATOM 309 CB ASN A 22 -10.401 12.531 12.739 1.00 0.00 C ATOM 310 CG ASN A 22 -11.825 12.152 13.131 1.00 0.00 C ATOM 311 OD1 ASN A 22 -12.047 11.361 14.017 1.00 0.00 O ATOM 312 ND2 ASN A 22 -12.796 12.716 12.453 1.00 0.00 N ATOM 0 H ASN A 22 -8.235 13.556 12.225 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.579 14.538 13.528 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.373 12.774 11.677 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.747 11.672 12.887 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.767 12.490 12.669 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.580 13.381 11.710 1.00 0.00 H new ATOM 319 N PRO A 23 -10.143 13.971 16.006 1.00 0.00 N ATOM 320 CA PRO A 23 -9.911 13.623 17.417 1.00 0.00 C ATOM 321 C PRO A 23 -10.674 12.370 17.842 1.00 0.00 C ATOM 322 O PRO A 23 -11.681 12.008 17.229 1.00 0.00 O ATOM 323 CB PRO A 23 -10.401 14.849 18.202 1.00 0.00 C ATOM 324 CG PRO A 23 -10.779 15.877 17.180 1.00 0.00 C ATOM 325 CD PRO A 23 -10.997 15.154 15.882 1.00 0.00 C ATOM 0 HA PRO A 23 -8.861 13.393 17.599 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.254 14.593 18.830 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.620 15.226 18.862 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.683 16.406 17.482 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.992 16.624 17.077 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.043 14.882 15.744 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.712 15.768 15.027 1.00 0.00 H new ATOM 333 N HIS A 24 -10.235 11.747 18.911 1.00 0.00 N ATOM 334 CA HIS A 24 -10.757 10.460 19.359 1.00 0.00 C ATOM 335 C HIS A 24 -10.608 10.345 20.825 1.00 0.00 C ATOM 336 O HIS A 24 -9.538 10.614 21.386 1.00 0.00 O ATOM 337 CB HIS A 24 -9.958 9.285 18.753 1.00 0.00 C ATOM 338 CG HIS A 24 -10.322 8.791 17.360 1.00 0.00 C ATOM 339 ND1 HIS A 24 -10.878 9.545 16.356 1.00 0.00 N ATOM 340 CD2 HIS A 24 -10.216 7.535 16.851 1.00 0.00 C ATOM 341 CE1 HIS A 24 -11.090 8.751 15.306 1.00 0.00 C ATOM 342 NE2 HIS A 24 -10.704 7.517 15.555 1.00 0.00 N ATOM 0 H HIS A 24 -9.495 12.118 19.507 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.800 10.414 19.046 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.907 9.574 18.736 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -10.045 8.440 19.436 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -11.092 10.541 16.405 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.813 6.682 17.377 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.522 9.078 14.372 1.00 0.00 H new ATOM 350 N CYS A 25 -11.661 9.980 21.425 1.00 0.00 N ATOM 351 CA CYS A 25 -11.669 9.581 22.776 1.00 0.00 C ATOM 352 C CYS A 25 -11.887 8.124 22.718 1.00 0.00 C ATOM 353 O CYS A 25 -12.983 7.685 22.414 1.00 0.00 O ATOM 354 CB CYS A 25 -12.797 10.199 23.587 1.00 0.00 C ATOM 355 SG CYS A 25 -12.724 9.689 25.363 1.00 0.00 S ATOM 0 H CYS A 25 -12.578 9.947 20.979 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.745 9.893 23.262 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -12.741 11.285 23.518 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.756 9.901 23.162 1.00 0.00 H new ATOM 360 N GLY A 26 -10.869 7.371 22.937 1.00 0.00 N ATOM 361 CA GLY A 26 -10.966 5.965 22.821 1.00 0.00 C ATOM 362 C GLY A 26 -11.793 5.367 23.900 1.00 0.00 C ATOM 363 O GLY A 26 -12.154 6.040 24.876 1.00 0.00 O ATOM 0 H GLY A 26 -9.946 7.715 23.202 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.397 5.711 21.853 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.967 5.530 22.849 1.00 0.00 H new ATOM 367 N SER A 27 -12.106 4.126 23.743 1.00 0.00 N ATOM 368 CA SER A 27 -12.847 3.386 24.744 1.00 0.00 C ATOM 369 C SER A 27 -12.003 3.263 26.017 1.00 0.00 C ATOM 370 O SER A 27 -12.530 3.066 27.096 1.00 0.00 O ATOM 371 CB SER A 27 -13.297 2.010 24.210 1.00 0.00 C ATOM 372 OG SER A 27 -12.198 1.250 23.730 1.00 0.00 O ATOM 0 H SER A 27 -11.860 3.580 22.917 1.00 0.00 H new ATOM 0 HA SER A 27 -13.759 3.932 24.988 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.802 1.459 25.003 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.021 2.150 23.408 1.00 0.00 H new ATOM 0 HG SER A 27 -12.427 0.297 23.747 1.00 0.00 H new ATOM 378 N ASP A 28 -10.680 3.464 25.837 1.00 0.00 N ATOM 379 CA ASP A 28 -9.681 3.501 26.900 1.00 0.00 C ATOM 380 C ASP A 28 -10.002 4.613 27.823 1.00 0.00 C ATOM 381 O ASP A 28 -9.938 4.503 29.033 1.00 0.00 O ATOM 382 CB ASP A 28 -8.304 3.734 26.267 1.00 0.00 C ATOM 383 CG ASP A 28 -7.166 3.732 27.267 1.00 0.00 C ATOM 384 OD1 ASP A 28 -6.990 4.741 27.967 1.00 0.00 O ATOM 385 OD2 ASP A 28 -6.428 2.747 27.316 1.00 0.00 O ATOM 0 H ASP A 28 -10.275 3.609 24.912 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.677 2.562 27.454 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.121 2.961 25.521 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.312 4.689 25.741 1.00 0.00 H new ATOM 390 N GLY A 29 -10.468 5.652 27.233 1.00 0.00 N ATOM 391 CA GLY A 29 -10.703 6.823 27.959 1.00 0.00 C ATOM 392 C GLY A 29 -9.818 7.872 27.465 1.00 0.00 C ATOM 393 O GLY A 29 -10.086 9.062 27.632 1.00 0.00 O ATOM 0 H GLY A 29 -10.693 5.705 26.239 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.744 7.128 27.855 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.526 6.650 29.021 1.00 0.00 H new ATOM 397 N GLN A 30 -8.790 7.440 26.785 1.00 0.00 N ATOM 398 CA GLN A 30 -7.839 8.386 26.249 1.00 0.00 C ATOM 399 C GLN A 30 -8.348 9.158 25.130 1.00 0.00 C ATOM 400 O GLN A 30 -8.958 8.647 24.210 1.00 0.00 O ATOM 401 CB GLN A 30 -6.564 7.760 25.829 1.00 0.00 C ATOM 402 CG GLN A 30 -5.869 7.266 26.969 1.00 0.00 C ATOM 403 CD GLN A 30 -4.575 6.516 26.636 1.00 0.00 C ATOM 404 OE1 GLN A 30 -3.829 6.858 25.677 1.00 0.00 O ATOM 405 NE2 GLN A 30 -4.377 5.425 27.306 1.00 0.00 N ATOM 0 H GLN A 30 -8.588 6.459 26.590 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.657 9.057 27.089 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.761 6.946 25.131 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.947 8.488 25.303 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.633 8.102 27.628 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.530 6.600 27.524 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.000 5.179 28.076 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.598 4.812 27.064 1.00 0.00 H new ATOM 414 N THR A 31 -8.074 10.384 25.214 1.00 0.00 N ATOM 415 CA THR A 31 -8.428 11.297 24.191 1.00 0.00 C ATOM 416 C THR A 31 -7.203 11.888 23.631 1.00 0.00 C ATOM 417 O THR A 31 -6.296 12.289 24.368 1.00 0.00 O ATOM 418 CB THR A 31 -9.331 12.451 24.652 1.00 0.00 C ATOM 419 OG1 THR A 31 -10.566 11.943 25.190 1.00 0.00 O ATOM 420 CG2 THR A 31 -9.607 13.421 23.464 1.00 0.00 C ATOM 0 H THR A 31 -7.588 10.806 26.005 1.00 0.00 H new ATOM 0 HA THR A 31 -8.992 10.718 23.460 1.00 0.00 H new ATOM 0 HB THR A 31 -8.819 13.002 25.441 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.817 12.464 25.981 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.248 14.236 23.801 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.664 13.828 23.100 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.103 12.878 22.659 1.00 0.00 H new ATOM 428 N TYR A 32 -7.148 11.914 22.360 1.00 0.00 N ATOM 429 CA TYR A 32 -6.129 12.571 21.700 1.00 0.00 C ATOM 430 C TYR A 32 -6.682 13.451 20.640 1.00 0.00 C ATOM 431 O TYR A 32 -7.841 13.302 20.216 1.00 0.00 O ATOM 432 CB TYR A 32 -5.089 11.635 21.165 1.00 0.00 C ATOM 433 CG TYR A 32 -4.175 11.083 22.225 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.026 11.772 22.587 1.00 0.00 C ATOM 435 CD2 TYR A 32 -4.450 9.890 22.861 1.00 0.00 C ATOM 436 CE1 TYR A 32 -2.179 11.283 23.550 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.613 9.399 23.824 1.00 0.00 C ATOM 438 CZ TYR A 32 -2.478 10.098 24.166 1.00 0.00 C ATOM 439 OH TYR A 32 -1.622 9.583 25.120 1.00 0.00 O ATOM 0 H TYR A 32 -7.830 11.466 21.748 1.00 0.00 H new ATOM 0 HA TYR A 32 -5.616 13.197 22.430 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.584 10.808 20.656 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.492 12.157 20.418 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.794 12.709 22.103 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.338 9.337 22.595 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.286 11.828 23.819 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.842 8.465 24.315 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.131 9.347 25.923 1.00 0.00 H new ATOM 449 N GLY A 33 -5.847 14.352 20.233 1.00 0.00 N ATOM 450 CA GLY A 33 -6.168 15.365 19.247 1.00 0.00 C ATOM 451 C GLY A 33 -6.552 14.795 17.910 1.00 0.00 C ATOM 452 O GLY A 33 -7.247 15.439 17.148 1.00 0.00 O ATOM 0 H GLY A 33 -4.890 14.416 20.581 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.987 15.979 19.621 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.309 16.023 19.120 1.00 0.00 H new ATOM 456 N ASN A 34 -6.087 13.597 17.617 1.00 0.00 N ATOM 457 CA ASN A 34 -6.440 12.936 16.400 1.00 0.00 C ATOM 458 C ASN A 34 -6.220 11.449 16.536 1.00 0.00 C ATOM 459 O ASN A 34 -5.622 11.002 17.530 1.00 0.00 O ATOM 460 CB ASN A 34 -5.710 13.533 15.174 1.00 0.00 C ATOM 461 CG ASN A 34 -4.196 13.520 15.263 1.00 0.00 C ATOM 462 OD1 ASN A 34 -3.614 12.683 15.907 1.00 0.00 O ATOM 463 ND2 ASN A 34 -3.555 14.446 14.598 1.00 0.00 N ATOM 0 H ASN A 34 -5.458 13.066 18.219 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.501 13.104 16.217 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.012 12.980 14.285 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.042 14.562 15.037 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.536 14.473 14.615 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.075 15.141 14.062 1.00 0.00 H new ATOM 470 N LYS A 35 -6.729 10.679 15.576 1.00 0.00 N ATOM 471 CA LYS A 35 -6.587 9.207 15.580 1.00 0.00 C ATOM 472 C LYS A 35 -5.156 8.795 15.577 1.00 0.00 C ATOM 473 O LYS A 35 -4.771 7.820 16.195 1.00 0.00 O ATOM 474 CB LYS A 35 -7.364 8.577 14.438 1.00 0.00 C ATOM 475 CG LYS A 35 -7.354 7.040 14.392 1.00 0.00 C ATOM 476 CD LYS A 35 -8.246 6.512 13.262 1.00 0.00 C ATOM 477 CE LYS A 35 -8.176 4.983 13.112 1.00 0.00 C ATOM 478 NZ LYS A 35 -6.863 4.514 12.618 1.00 0.00 N ATOM 0 H LYS A 35 -7.248 11.044 14.777 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.020 8.835 16.508 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.399 8.914 14.498 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.961 8.953 13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.333 6.685 14.249 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.699 6.643 15.347 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.278 6.807 13.452 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.949 6.979 12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.383 4.518 14.076 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.956 4.654 12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.889 3.483 12.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.650 4.972 11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.125 4.757 13.309 1.00 0.00 H new ATOM 492 N CYS A 36 -4.418 9.554 14.902 1.00 0.00 N ATOM 493 CA CYS A 36 -2.967 9.432 14.839 1.00 0.00 C ATOM 494 C CYS A 36 -2.355 9.339 16.238 1.00 0.00 C ATOM 495 O CYS A 36 -1.653 8.393 16.587 1.00 0.00 O ATOM 496 CB CYS A 36 -2.371 10.650 14.073 1.00 0.00 C ATOM 497 SG CYS A 36 -0.693 11.265 14.639 1.00 0.00 S ATOM 0 H CYS A 36 -4.783 10.323 14.340 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.724 8.512 14.307 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.298 10.385 13.018 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.078 11.476 14.146 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.332 12.277 13.907 1.00 0.00 H new ATOM 502 N ALA A 37 -2.717 10.274 17.010 1.00 0.00 N ATOM 503 CA ALA A 37 -2.207 10.489 18.344 1.00 0.00 C ATOM 504 C ALA A 37 -2.613 9.350 19.284 1.00 0.00 C ATOM 505 O ALA A 37 -1.883 8.975 20.206 1.00 0.00 O ATOM 506 CB ALA A 37 -2.779 11.795 18.817 1.00 0.00 C ATOM 0 H ALA A 37 -3.417 10.965 16.738 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.117 10.514 18.339 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.422 12.005 19.825 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.463 12.595 18.147 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.867 11.735 18.822 1.00 0.00 H new ATOM 512 N PHE A 38 -3.771 8.823 19.048 1.00 0.00 N ATOM 513 CA PHE A 38 -4.318 7.739 19.860 1.00 0.00 C ATOM 514 C PHE A 38 -4.040 6.336 19.268 1.00 0.00 C ATOM 515 O PHE A 38 -4.308 5.330 19.925 1.00 0.00 O ATOM 516 CB PHE A 38 -5.837 7.987 20.089 1.00 0.00 C ATOM 517 CG PHE A 38 -6.548 6.935 20.891 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.160 6.648 22.190 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.583 6.213 20.332 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.795 5.664 22.910 1.00 0.00 C ATOM 521 CE2 PHE A 38 -8.217 5.228 21.049 1.00 0.00 C ATOM 522 CZ PHE A 38 -7.819 4.954 22.339 1.00 0.00 C ATOM 0 H PHE A 38 -4.381 9.121 18.287 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.805 7.745 20.822 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.959 8.947 20.591 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.325 8.071 19.118 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.351 7.203 22.641 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.897 6.425 19.321 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.488 5.451 23.923 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.026 4.669 20.602 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.315 4.177 22.902 1.00 0.00 H new ATOM 532 N CYS A 39 -3.397 6.266 18.106 1.00 0.00 N ATOM 533 CA CYS A 39 -3.231 4.994 17.397 1.00 0.00 C ATOM 534 C CYS A 39 -2.479 4.054 18.186 1.00 0.00 C ATOM 535 O CYS A 39 -2.915 2.977 18.413 1.00 0.00 O ATOM 536 CB CYS A 39 -2.626 5.168 15.988 1.00 0.00 C ATOM 537 SG CYS A 39 -0.806 5.541 15.736 1.00 0.00 S ATOM 0 H CYS A 39 -2.983 7.070 17.634 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.231 4.585 17.249 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.840 4.252 15.437 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.183 5.969 15.502 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.580 6.795 15.995 1.00 0.00 H new ATOM 542 N LYS A 40 -1.467 4.552 18.749 1.00 0.00 N ATOM 543 CA LYS A 40 -0.475 3.842 19.457 1.00 0.00 C ATOM 544 C LYS A 40 -0.986 3.035 20.584 1.00 0.00 C ATOM 545 O LYS A 40 -0.514 1.934 20.878 1.00 0.00 O ATOM 546 CB LYS A 40 0.608 4.795 19.871 1.00 0.00 C ATOM 547 CG LYS A 40 0.224 6.179 20.506 1.00 0.00 C ATOM 548 CD LYS A 40 -0.460 6.036 21.853 1.00 0.00 C ATOM 549 CE LYS A 40 -0.668 7.349 22.590 1.00 0.00 C ATOM 550 NZ LYS A 40 -1.311 7.139 23.936 1.00 0.00 N ATOM 0 H LYS A 40 -1.285 5.555 18.731 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.062 3.095 18.780 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.245 4.274 20.586 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.217 4.998 18.990 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.124 6.783 20.622 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.435 6.717 19.824 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.428 5.557 21.707 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.133 5.371 22.480 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.292 7.849 22.720 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.292 8.009 21.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.770 8.020 24.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.023 6.384 23.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.585 6.868 24.629 1.00 0.00 H new ATOM 564 N ALA A 41 -1.928 3.576 21.158 1.00 0.00 N ATOM 565 CA ALA A 41 -2.607 3.007 22.270 1.00 0.00 C ATOM 566 C ALA A 41 -3.366 1.807 21.804 1.00 0.00 C ATOM 567 O ALA A 41 -3.355 0.756 22.446 1.00 0.00 O ATOM 568 CB ALA A 41 -3.545 4.015 22.774 1.00 0.00 C ATOM 0 H ALA A 41 -2.299 4.484 20.878 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.908 2.710 23.052 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.086 3.613 23.631 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.994 4.905 23.078 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.253 4.278 21.988 1.00 0.00 H new ATOM 574 N ILE A 42 -3.945 1.943 20.625 1.00 0.00 N ATOM 575 CA ILE A 42 -4.763 0.901 20.053 1.00 0.00 C ATOM 576 C ILE A 42 -3.893 -0.250 19.682 1.00 0.00 C ATOM 577 O ILE A 42 -4.129 -1.394 20.055 1.00 0.00 O ATOM 578 CB ILE A 42 -5.409 1.475 18.811 1.00 0.00 C ATOM 579 CG1 ILE A 42 -6.380 2.491 19.257 1.00 0.00 C ATOM 580 CG2 ILE A 42 -6.035 0.405 17.961 1.00 0.00 C ATOM 581 CD1 ILE A 42 -6.641 3.528 18.240 1.00 0.00 C ATOM 0 H ILE A 42 -3.859 2.776 20.043 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.520 0.557 20.757 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.661 1.939 18.168 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.318 2.000 19.515 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.008 2.966 20.165 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.488 0.859 17.079 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.270 -0.307 17.650 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.802 -0.114 18.536 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.363 4.245 18.629 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.711 4.044 17.999 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.041 3.062 17.340 1.00 0.00 H new ATOM 593 N VAL A 43 -2.863 0.121 19.025 1.00 0.00 N ATOM 594 CA VAL A 43 -1.844 -0.742 18.451 1.00 0.00 C ATOM 595 C VAL A 43 -1.317 -1.720 19.450 1.00 0.00 C ATOM 596 O VAL A 43 -1.286 -2.920 19.219 1.00 0.00 O ATOM 597 CB VAL A 43 -0.686 0.144 18.014 1.00 0.00 C ATOM 598 CG1 VAL A 43 0.387 -0.576 17.285 1.00 0.00 C ATOM 599 CG2 VAL A 43 -1.176 1.172 17.170 1.00 0.00 C ATOM 0 H VAL A 43 -2.673 1.107 18.847 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.284 -1.298 17.623 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.247 0.536 18.931 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.174 0.126 17.009 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.803 -1.354 17.925 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.026 -1.030 16.384 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.349 1.809 16.855 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.648 0.729 16.293 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.908 1.770 17.712 1.00 0.00 H new ATOM 609 N LYS A 44 -0.948 -1.201 20.557 1.00 0.00 N ATOM 610 CA LYS A 44 -0.287 -1.971 21.558 1.00 0.00 C ATOM 611 C LYS A 44 -1.218 -2.810 22.347 1.00 0.00 C ATOM 612 O LYS A 44 -0.881 -3.907 22.756 1.00 0.00 O ATOM 613 CB LYS A 44 0.545 -1.079 22.390 1.00 0.00 C ATOM 614 CG LYS A 44 1.775 -0.580 21.613 1.00 0.00 C ATOM 615 CD LYS A 44 2.773 -1.733 21.353 1.00 0.00 C ATOM 616 CE LYS A 44 3.716 -1.452 20.179 1.00 0.00 C ATOM 617 NZ LYS A 44 3.007 -1.499 18.867 1.00 0.00 N ATOM 0 H LYS A 44 -1.093 -0.222 20.805 1.00 0.00 H new ATOM 0 HA LYS A 44 0.370 -2.689 21.068 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.049 -0.227 22.721 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.868 -1.610 23.286 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.459 -0.147 20.664 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.268 0.212 22.176 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.363 -1.906 22.253 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.218 -2.650 21.155 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.173 -0.471 20.309 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.524 -2.183 20.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.676 -1.777 18.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.234 -2.193 18.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.617 -0.560 18.649 1.00 0.00 H new ATOM 631 N SER A 45 -2.385 -2.318 22.523 1.00 0.00 N ATOM 632 CA SER A 45 -3.405 -3.082 23.185 1.00 0.00 C ATOM 633 C SER A 45 -4.062 -4.092 22.212 1.00 0.00 C ATOM 634 O SER A 45 -5.025 -4.782 22.551 1.00 0.00 O ATOM 635 CB SER A 45 -4.408 -2.156 23.793 1.00 0.00 C ATOM 636 OG SER A 45 -3.747 -1.195 24.600 1.00 0.00 O ATOM 0 H SER A 45 -2.672 -1.387 22.221 1.00 0.00 H new ATOM 0 HA SER A 45 -2.953 -3.668 23.985 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.977 -1.656 23.009 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.121 -2.721 24.394 1.00 0.00 H new ATOM 0 HG SER A 45 -3.524 -0.410 24.057 1.00 0.00 H new ATOM 642 N GLY A 46 -3.549 -4.162 20.993 1.00 0.00 N ATOM 643 CA GLY A 46 -3.948 -5.145 20.102 1.00 0.00 C ATOM 644 C GLY A 46 -5.078 -4.816 19.231 1.00 0.00 C ATOM 645 O GLY A 46 -5.760 -5.739 18.755 1.00 0.00 O ATOM 0 H GLY A 46 -2.845 -3.519 20.630 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.096 -5.402 19.473 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.205 -6.038 20.672 1.00 0.00 H new ATOM 649 N GLY A 47 -5.354 -3.564 19.090 1.00 0.00 N ATOM 650 CA GLY A 47 -6.449 -3.128 18.253 1.00 0.00 C ATOM 651 C GLY A 47 -7.766 -3.356 18.940 1.00 0.00 C ATOM 652 O GLY A 47 -8.811 -3.080 18.398 1.00 0.00 O ATOM 0 H GLY A 47 -4.839 -2.809 19.543 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.334 -2.070 18.018 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.428 -3.669 17.307 1.00 0.00 H new ATOM 656 N LYS A 48 -7.690 -3.908 20.148 1.00 0.00 N ATOM 657 CA LYS A 48 -8.857 -4.201 20.931 1.00 0.00 C ATOM 658 C LYS A 48 -9.533 -2.961 21.486 1.00 0.00 C ATOM 659 O LYS A 48 -10.687 -3.010 21.894 1.00 0.00 O ATOM 660 CB LYS A 48 -8.450 -5.148 21.995 1.00 0.00 C ATOM 661 CG LYS A 48 -7.944 -6.443 21.389 1.00 0.00 C ATOM 662 CD LYS A 48 -7.021 -7.162 22.310 1.00 0.00 C ATOM 663 CE LYS A 48 -6.455 -8.417 21.653 1.00 0.00 C ATOM 664 NZ LYS A 48 -5.595 -8.097 20.471 1.00 0.00 N ATOM 0 H LYS A 48 -6.811 -4.160 20.600 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.617 -4.653 20.294 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.671 -4.699 22.611 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.296 -5.353 22.651 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.790 -7.086 21.148 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.429 -6.229 20.452 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.205 -6.501 22.601 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.552 -7.434 23.222 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.871 -8.976 22.384 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.275 -9.062 21.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.763 -8.796 19.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.829 -7.147 20.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.594 -8.125 20.752 1.00 0.00 H new ATOM 678 N ILE A 49 -8.818 -1.872 21.541 1.00 0.00 N ATOM 679 CA ILE A 49 -9.441 -0.632 21.953 1.00 0.00 C ATOM 680 C ILE A 49 -10.199 -0.054 20.772 1.00 0.00 C ATOM 681 O ILE A 49 -9.731 -0.091 19.643 1.00 0.00 O ATOM 682 CB ILE A 49 -8.409 0.388 22.414 1.00 0.00 C ATOM 683 CG1 ILE A 49 -7.504 -0.225 23.445 1.00 0.00 C ATOM 684 CG2 ILE A 49 -9.093 1.631 23.006 1.00 0.00 C ATOM 685 CD1 ILE A 49 -6.289 0.588 23.693 1.00 0.00 C ATOM 0 H ILE A 49 -7.826 -1.810 21.313 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.109 -0.845 22.787 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.822 0.692 21.547 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.053 -0.346 24.379 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.209 -1.222 23.117 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.335 2.345 23.328 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.727 2.092 22.249 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.702 1.338 23.861 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.671 0.099 24.446 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.722 0.687 22.767 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.579 1.577 24.048 1.00 0.00 H new ATOM 697 N SER A 50 -11.324 0.486 21.046 1.00 0.00 N ATOM 698 CA SER A 50 -12.171 1.055 20.052 1.00 0.00 C ATOM 699 C SER A 50 -12.373 2.500 20.408 1.00 0.00 C ATOM 700 O SER A 50 -11.782 2.992 21.375 1.00 0.00 O ATOM 701 CB SER A 50 -13.502 0.314 20.033 1.00 0.00 C ATOM 702 OG SER A 50 -13.299 -1.074 19.835 1.00 0.00 O ATOM 0 H SER A 50 -11.699 0.550 21.992 1.00 0.00 H new ATOM 0 HA SER A 50 -11.726 0.973 19.060 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.029 0.479 20.973 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.134 0.711 19.239 1.00 0.00 H new ATOM 0 HG SER A 50 -14.165 -1.533 19.827 1.00 0.00 H new ATOM 708 N LEU A 51 -13.116 3.203 19.639 1.00 0.00 N ATOM 709 CA LEU A 51 -13.401 4.468 19.905 1.00 0.00 C ATOM 710 C LEU A 51 -14.649 4.650 20.735 1.00 0.00 C ATOM 711 O LEU A 51 -15.609 3.914 20.592 1.00 0.00 O ATOM 712 CB LEU A 51 -13.575 5.167 18.664 1.00 0.00 C ATOM 713 CG LEU A 51 -13.705 6.569 18.894 1.00 0.00 C ATOM 714 CD1 LEU A 51 -12.441 7.037 19.496 1.00 0.00 C ATOM 715 CD2 LEU A 51 -14.041 7.237 17.690 1.00 0.00 C ATOM 0 H LEU A 51 -13.537 2.850 18.780 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.570 4.863 20.490 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.724 4.977 18.010 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.461 4.793 18.150 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.518 6.792 19.584 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.504 8.108 19.687 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.268 6.511 20.435 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.616 6.838 18.812 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.137 8.306 17.881 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.258 7.070 16.950 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.987 6.850 17.311 1.00 0.00 H new ATOM 727 N LYS A 52 -14.582 5.592 21.642 1.00 0.00 N ATOM 728 CA LYS A 52 -15.696 6.008 22.352 1.00 0.00 C ATOM 729 C LYS A 52 -16.380 7.144 21.617 1.00 0.00 C ATOM 730 O LYS A 52 -17.546 7.071 21.279 1.00 0.00 O ATOM 731 CB LYS A 52 -15.328 6.440 23.751 1.00 0.00 C ATOM 732 CG LYS A 52 -16.527 6.868 24.483 1.00 0.00 C ATOM 733 CD LYS A 52 -16.293 7.524 25.858 1.00 0.00 C ATOM 734 CE LYS A 52 -15.425 6.715 26.825 1.00 0.00 C ATOM 735 NZ LYS A 52 -13.971 6.967 26.630 1.00 0.00 N ATOM 0 H LYS A 52 -13.721 6.081 21.889 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.381 5.164 22.433 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.846 5.617 24.278 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.608 7.257 23.709 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -17.076 7.572 23.858 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.170 5.999 24.624 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.827 8.497 25.704 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.261 7.704 26.327 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.700 6.964 27.850 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.628 5.653 26.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.464 6.782 27.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.606 6.338 25.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.825 7.957 26.348 1.00 0.00 H new ATOM 749 N HIS A 53 -15.626 8.144 21.339 1.00 0.00 N ATOM 750 CA HIS A 53 -16.170 9.382 20.762 1.00 0.00 C ATOM 751 C HIS A 53 -15.264 9.925 19.700 1.00 0.00 C ATOM 752 O HIS A 53 -14.035 9.906 19.870 1.00 0.00 O ATOM 753 CB HIS A 53 -16.297 10.535 21.803 1.00 0.00 C ATOM 754 CG HIS A 53 -17.242 10.367 22.956 1.00 0.00 C ATOM 755 ND1 HIS A 53 -17.139 11.105 24.113 1.00 0.00 N ATOM 756 CD2 HIS A 53 -18.335 9.581 23.113 1.00 0.00 C ATOM 757 CE1 HIS A 53 -18.138 10.757 24.921 1.00 0.00 C ATOM 758 NE2 HIS A 53 -18.898 9.833 24.365 1.00 0.00 N ATOM 0 H HIS A 53 -14.618 8.158 21.493 1.00 0.00 H new ATOM 0 HA HIS A 53 -17.149 9.097 20.377 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.304 10.719 22.214 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -16.591 11.436 21.264 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -18.709 8.874 22.387 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.304 11.176 25.902 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -19.726 9.394 24.767 1.00 0.00 H new ATOM 766 N PRO A 54 -15.824 10.382 18.575 1.00 0.00 N ATOM 767 CA PRO A 54 -15.085 11.199 17.643 1.00 0.00 C ATOM 768 C PRO A 54 -15.027 12.591 18.266 1.00 0.00 C ATOM 769 O PRO A 54 -16.042 13.279 18.378 1.00 0.00 O ATOM 770 CB PRO A 54 -15.954 11.208 16.367 1.00 0.00 C ATOM 771 CG PRO A 54 -17.063 10.235 16.625 1.00 0.00 C ATOM 772 CD PRO A 54 -17.193 10.128 18.115 1.00 0.00 C ATOM 0 HA PRO A 54 -14.074 10.856 17.421 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.347 12.205 16.168 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.371 10.915 15.494 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -17.995 10.580 16.178 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -16.838 9.264 16.184 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.897 10.859 18.514 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.547 9.144 18.421 1.00 0.00 H new ATOM 780 N GLY A 55 -13.877 12.972 18.691 1.00 0.00 N ATOM 781 CA GLY A 55 -13.740 14.150 19.489 1.00 0.00 C ATOM 782 C GLY A 55 -13.244 13.736 20.836 1.00 0.00 C ATOM 783 O GLY A 55 -12.946 12.563 21.041 1.00 0.00 O ATOM 0 H GLY A 55 -13.003 12.482 18.500 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.044 14.847 19.024 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.697 14.665 19.576 1.00 0.00 H new ATOM 787 N LYS A 56 -13.105 14.658 21.732 1.00 0.00 N ATOM 788 CA LYS A 56 -12.695 14.350 23.047 1.00 0.00 C ATOM 789 C LYS A 56 -13.845 13.810 23.870 1.00 0.00 C ATOM 790 O LYS A 56 -14.998 13.772 23.433 1.00 0.00 O ATOM 791 CB LYS A 56 -12.176 15.618 23.739 1.00 0.00 C ATOM 792 CG LYS A 56 -13.276 16.572 24.183 1.00 0.00 C ATOM 793 CD LYS A 56 -12.729 17.676 25.074 1.00 0.00 C ATOM 794 CE LYS A 56 -13.836 18.348 25.888 1.00 0.00 C ATOM 795 NZ LYS A 56 -14.472 17.411 26.866 1.00 0.00 N ATOM 0 H LYS A 56 -13.276 15.649 21.563 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.912 13.594 22.978 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.586 15.330 24.609 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.506 16.143 23.058 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.753 17.012 23.307 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.046 16.017 24.720 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.981 17.261 25.750 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.225 18.422 24.460 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.422 19.202 26.424 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.598 18.735 25.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.926 17.957 27.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.188 16.835 26.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.745 16.789 27.274 1.00 0.00 H new ATOM 809 N CYS A 57 -13.510 13.386 25.031 1.00 0.00 N ATOM 810 CA CYS A 57 -14.494 13.132 26.028 1.00 0.00 C ATOM 811 C CYS A 57 -14.694 14.425 26.796 1.00 0.00 C ATOM 812 O CYS A 57 -13.813 14.819 27.582 1.00 0.00 O ATOM 813 CB CYS A 57 -14.127 11.952 26.931 1.00 0.00 C ATOM 814 SG CYS A 57 -14.466 10.304 26.176 1.00 0.00 S ATOM 815 OXT CYS A 57 -15.670 15.147 26.511 1.00 0.00 O ATOM 0 H CYS A 57 -12.550 13.204 25.322 1.00 0.00 H new ATOM 0 HA CYS A 57 -15.432 12.827 25.563 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -13.068 12.015 27.183 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -14.683 12.035 27.865 1.00 0.00 H new