USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 584 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 64 SER OG : rot -130:sc= -0.0393 USER MOD Set 1.2: A 668 MET CE :methyl 141:sc= -1.58 (180deg=-6.73!) USER MOD Set 2.1: A 67 LYS NZ :NH3+ 180:sc= 1.74 (180deg=1.73) USER MOD Set 2.2: A 77 TYR OH : rot -76:sc= 1.2 USER MOD Set 2.3: A 666 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 63 SER OG : rot -81:sc= 2.35 USER MOD Set 3.2: A 667 LYS NZ :NH3+ -177:sc= 1.21 (180deg=-0.0177) USER MOD Set 4.1: A 49 LYS NZ :NH3+ -125:sc= 1.79 (180deg=0.667) USER MOD Set 4.2: A 54 GLN : amide:sc= 0.598 K(o=2.4,f=-1.9) USER MOD Set 5.1: A 50 CYS SG : rot 143:sc= 3.58 USER MOD Set 5.2: A 52 SER OG : rot 82:sc= 0.353 USER MOD Set 5.3: A 53 CYS SG : rot -51:sc= 0.628 USER MOD Set 5.4: A 73 CYS SG : rot -135:sc= -2.47! USER MOD Set 6.1: A 39 MET CE :methyl -147:sc= -1.23 (180deg=-1.84!) USER MOD Set 6.2: A 66 THR OG1 : rot 85:sc= 1.3 USER MOD Set 7.1: A 37 TYR OH : rot 93:sc= 1.64 USER MOD Set 7.2: A 42 TYR OH : rot 180:sc= 0.235 USER MOD Set 8.1: A 23 CYS SG : rot 160:sc= 1.44 USER MOD Set 8.2: A 26 CYS SG : rot -33:sc= 0.482 USER MOD Set 8.3: A 44 HIS : no HE2:sc= -1.78 K(o=-0.032,f=-4) USER MOD Set 8.4: A 47 CYS SG : rot 109:sc= -0.172 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 108:sc= 0.27 USER MOD Single : A 45 SER OG : rot 94:sc= 0.969 USER MOD Single : A 51 SER OG : rot -74:sc= 0.521 USER MOD Single : A 56 GLN : amide:sc= 0.845 K(o=0.85,f=-3.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.66 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 129:sc= 0.544 USER MOD Single : A 70 MET CE :methyl 157:sc= -0.0171 (180deg=-0.577) USER MOD Single : A 75 ASN : amide:sc= -0.0868 K(o=-0.087,f=-1.8!) USER MOD Single : A 664 SER OG : rot 180:sc= 0.112 USER MOD Single : A 665 GLN : amide:sc= -0.375! C(o=-0.37!,f=-7.7!) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot -134:sc= 1.4 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 13.586 -1.923 -6.339 1.00 0.00 N ATOM 327 CA LEU A 663 12.430 -2.783 -6.127 1.00 0.00 C ATOM 328 C LEU A 663 11.309 -2.440 -7.107 1.00 0.00 C ATOM 329 O LEU A 663 10.206 -2.073 -6.701 1.00 0.00 O ATOM 330 CB LEU A 663 11.929 -2.654 -4.686 1.00 0.00 C ATOM 331 CG LEU A 663 13.021 -2.595 -3.613 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.469 -2.003 -2.324 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.589 -3.983 -3.362 1.00 0.00 C ATOM 0 HA LEU A 663 12.736 -3.814 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.320 -1.753 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.276 -3.499 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 663 13.825 -1.951 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.258 -1.968 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.104 -0.994 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.649 -2.623 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.364 -3.926 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 663 12.793 -4.646 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.018 -4.373 -4.285 1.00 0.00 H new ATOM 345 N SER A 664 11.602 -2.549 -8.395 1.00 0.00 N ATOM 346 CA SER A 664 10.617 -2.276 -9.434 1.00 0.00 C ATOM 347 C SER A 664 9.655 -3.450 -9.572 1.00 0.00 C ATOM 348 O SER A 664 8.441 -3.275 -9.661 1.00 0.00 O ATOM 349 CB SER A 664 11.337 -2.026 -10.756 1.00 0.00 C ATOM 350 OG SER A 664 12.737 -2.201 -10.601 1.00 0.00 O ATOM 0 H SER A 664 12.518 -2.826 -8.748 1.00 0.00 H new ATOM 0 HA SER A 664 10.041 -1.391 -9.162 1.00 0.00 H new ATOM 0 HB2 SER A 664 10.961 -2.710 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 664 11.127 -1.015 -11.105 1.00 0.00 H new ATOM 0 HG SER A 664 13.184 -2.039 -11.458 1.00 0.00 H new ATOM 356 N GLN A 665 10.218 -4.648 -9.557 1.00 0.00 N ATOM 357 CA GLN A 665 9.451 -5.879 -9.703 1.00 0.00 C ATOM 358 C GLN A 665 8.680 -6.174 -8.423 1.00 0.00 C ATOM 359 O GLN A 665 7.571 -6.704 -8.458 1.00 0.00 O ATOM 360 CB GLN A 665 10.384 -7.058 -10.028 1.00 0.00 C ATOM 361 CG GLN A 665 11.838 -6.662 -10.275 1.00 0.00 C ATOM 362 CD GLN A 665 12.634 -6.490 -8.990 1.00 0.00 C ATOM 363 OE1 GLN A 665 12.169 -5.871 -8.034 1.00 0.00 O ATOM 364 NE2 GLN A 665 13.844 -7.020 -8.962 1.00 0.00 N ATOM 0 H GLN A 665 11.221 -4.796 -9.443 1.00 0.00 H new ATOM 0 HA GLN A 665 8.746 -5.749 -10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 665 10.349 -7.771 -9.204 1.00 0.00 H new ATOM 0 HB3 GLN A 665 10.005 -7.573 -10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 665 12.316 -7.422 -10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 665 11.864 -5.730 -10.839 1.00 0.00 H new ATOM 0 HE21 GLN A 665 14.198 -7.527 -9.773 1.00 0.00 H new ATOM 0 HE22 GLN A 665 14.424 -6.922 -8.129 1.00 0.00 H new ATOM 373 N TYR A 666 9.280 -5.809 -7.295 1.00 0.00 N ATOM 374 CA TYR A 666 8.686 -6.058 -5.987 1.00 0.00 C ATOM 375 C TYR A 666 7.647 -4.999 -5.640 1.00 0.00 C ATOM 376 O TYR A 666 6.996 -5.079 -4.601 1.00 0.00 O ATOM 377 CB TYR A 666 9.771 -6.075 -4.907 1.00 0.00 C ATOM 378 CG TYR A 666 10.797 -7.167 -5.086 1.00 0.00 C ATOM 379 CD1 TYR A 666 10.416 -8.485 -5.308 1.00 0.00 C ATOM 380 CD2 TYR A 666 12.152 -6.877 -5.030 1.00 0.00 C ATOM 381 CE1 TYR A 666 11.359 -9.482 -5.464 1.00 0.00 C ATOM 382 CE2 TYR A 666 13.100 -7.867 -5.182 1.00 0.00 C ATOM 383 CZ TYR A 666 12.699 -9.165 -5.402 1.00 0.00 C ATOM 384 OH TYR A 666 13.643 -10.152 -5.549 1.00 0.00 O ATOM 0 H TYR A 666 10.183 -5.337 -7.261 1.00 0.00 H new ATOM 0 HA TYR A 666 8.193 -7.029 -6.028 1.00 0.00 H new ATOM 0 HB2 TYR A 666 10.279 -5.111 -4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 666 9.297 -6.192 -3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 666 9.366 -8.733 -5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 666 12.470 -5.858 -4.865 1.00 0.00 H new ATOM 0 HE1 TYR A 666 11.049 -10.503 -5.633 1.00 0.00 H new ATOM 0 HE2 TYR A 666 14.151 -7.625 -5.129 1.00 0.00 H new ATOM 0 HH TYR A 666 14.539 -9.761 -5.480 1.00 0.00 H new ATOM 394 N LYS A 667 7.497 -4.012 -6.509 1.00 0.00 N ATOM 395 CA LYS A 667 6.583 -2.911 -6.252 1.00 0.00 C ATOM 396 C LYS A 667 5.155 -3.287 -6.597 1.00 0.00 C ATOM 397 O LYS A 667 4.904 -4.051 -7.529 1.00 0.00 O ATOM 398 CB LYS A 667 6.982 -1.683 -7.062 1.00 0.00 C ATOM 399 CG LYS A 667 6.663 -0.362 -6.380 1.00 0.00 C ATOM 400 CD LYS A 667 6.098 0.651 -7.365 1.00 0.00 C ATOM 401 CE LYS A 667 6.776 2.005 -7.229 1.00 0.00 C ATOM 402 NZ LYS A 667 5.810 3.126 -7.367 1.00 0.00 N ATOM 0 H LYS A 667 7.995 -3.951 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 667 6.641 -2.684 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 667 8.052 -1.726 -7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 667 6.473 -1.715 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 667 5.945 -0.530 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 667 7.567 0.040 -5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 667 6.226 0.280 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 667 5.027 0.762 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 667 7.269 2.068 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 667 7.553 2.100 -7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 6.320 4.031 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 5.321 3.052 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 5.113 3.080 -6.597 1.00 0.00 H new ATOM 416 N MET A 668 4.229 -2.735 -5.838 1.00 0.00 N ATOM 417 CA MET A 668 2.815 -2.918 -6.092 1.00 0.00 C ATOM 418 C MET A 668 2.104 -1.583 -5.917 1.00 0.00 C ATOM 419 O MET A 668 2.257 -0.911 -4.894 1.00 0.00 O ATOM 420 CB MET A 668 2.248 -4.007 -5.167 1.00 0.00 C ATOM 421 CG MET A 668 1.597 -3.495 -3.887 1.00 0.00 C ATOM 422 SD MET A 668 0.853 -4.809 -2.905 1.00 0.00 S ATOM 423 CE MET A 668 0.448 -3.914 -1.408 1.00 0.00 C ATOM 0 H MET A 668 4.436 -2.148 -5.030 1.00 0.00 H new ATOM 0 HA MET A 668 2.654 -3.256 -7.116 1.00 0.00 H new ATOM 0 HB2 MET A 668 1.512 -4.587 -5.723 1.00 0.00 H new ATOM 0 HB3 MET A 668 3.054 -4.689 -4.898 1.00 0.00 H new ATOM 0 HG2 MET A 668 2.346 -2.979 -3.286 1.00 0.00 H new ATOM 0 HG3 MET A 668 0.832 -2.762 -4.143 1.00 0.00 H new ATOM 0 HE1 MET A 668 -0.517 -4.254 -1.031 1.00 0.00 H new ATOM 0 HE2 MET A 668 1.216 -4.096 -0.656 1.00 0.00 H new ATOM 0 HE3 MET A 668 0.397 -2.847 -1.624 1.00 0.00 H new ATOM 433 N ASP A 669 1.373 -1.167 -6.937 1.00 0.00 N ATOM 434 CA ASP A 669 0.726 0.136 -6.911 1.00 0.00 C ATOM 435 C ASP A 669 -0.738 0.010 -6.531 1.00 0.00 C ATOM 436 O ASP A 669 -1.403 -0.962 -6.894 1.00 0.00 O ATOM 437 CB ASP A 669 0.864 0.846 -8.254 1.00 0.00 C ATOM 438 CG ASP A 669 1.800 2.034 -8.168 1.00 0.00 C ATOM 439 OD1 ASP A 669 1.577 2.912 -7.305 1.00 0.00 O ATOM 440 OD2 ASP A 669 2.772 2.087 -8.948 1.00 0.00 O ATOM 0 H ASP A 669 1.213 -1.707 -7.788 1.00 0.00 H new ATOM 0 HA ASP A 669 1.229 0.736 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 669 1.236 0.144 -9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.117 1.180 -8.591 1.00 0.00 H new ATOM 445 N VAL A 670 -1.233 1.004 -5.809 1.00 0.00 N ATOM 446 CA VAL A 670 -2.592 0.979 -5.292 1.00 0.00 C ATOM 447 C VAL A 670 -3.566 1.645 -6.259 1.00 0.00 C ATOM 448 O VAL A 670 -3.574 2.869 -6.404 1.00 0.00 O ATOM 449 CB VAL A 670 -2.684 1.679 -3.916 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.946 1.258 -3.183 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.452 1.379 -3.073 1.00 0.00 C ATOM 0 H VAL A 670 -0.708 1.844 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.866 -0.070 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.728 2.755 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.991 1.762 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.819 1.531 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -3.935 0.179 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.539 1.882 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.372 0.303 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.562 1.737 -3.590 1.00 0.00 H new ATOM 461 N THR A 671 -4.371 0.835 -6.929 1.00 0.00 N ATOM 462 CA THR A 671 -5.414 1.351 -7.800 1.00 0.00 C ATOM 463 C THR A 671 -6.694 1.566 -7.000 1.00 0.00 C ATOM 464 O THR A 671 -7.341 0.611 -6.572 1.00 0.00 O ATOM 465 CB THR A 671 -5.675 0.397 -8.984 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.450 -0.263 -9.343 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.219 1.159 -10.181 1.00 0.00 C ATOM 0 H THR A 671 -4.322 -0.183 -6.886 1.00 0.00 H new ATOM 0 HA THR A 671 -5.080 2.305 -8.209 1.00 0.00 H new ATOM 0 HB THR A 671 -6.417 -0.342 -8.682 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.614 -0.871 -10.094 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.395 0.466 -11.004 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.156 1.644 -9.908 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.496 1.914 -10.491 1.00 0.00 H new ATOM 475 N VAL A 672 -7.038 2.824 -6.780 1.00 0.00 N ATOM 476 CA VAL A 672 -8.171 3.164 -5.933 1.00 0.00 C ATOM 477 C VAL A 672 -9.480 3.114 -6.714 1.00 0.00 C ATOM 478 O VAL A 672 -9.667 3.854 -7.680 1.00 0.00 O ATOM 479 CB VAL A 672 -8.012 4.563 -5.304 1.00 0.00 C ATOM 480 CG1 VAL A 672 -8.944 4.720 -4.113 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.569 4.808 -4.886 1.00 0.00 C ATOM 0 H VAL A 672 -6.550 3.627 -7.176 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.198 2.420 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.280 5.306 -6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -8.819 5.713 -3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -9.976 4.594 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.706 3.966 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -6.482 5.801 -4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.270 4.058 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -5.921 4.741 -5.760 1.00 0.00 H new ATOM 491 N ILE A 673 -10.380 2.241 -6.292 1.00 0.00 N ATOM 492 CA ILE A 673 -11.675 2.117 -6.935 1.00 0.00 C ATOM 493 C ILE A 673 -12.678 3.064 -6.290 1.00 0.00 C ATOM 494 O ILE A 673 -12.868 3.049 -5.072 1.00 0.00 O ATOM 495 CB ILE A 673 -12.213 0.674 -6.864 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.397 -0.242 -7.779 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.688 0.638 -7.245 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.533 -1.231 -7.027 1.00 0.00 C ATOM 0 H ILE A 673 -10.236 1.607 -5.506 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.542 2.380 -7.984 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.115 0.314 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.077 -0.789 -8.433 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.762 0.370 -8.420 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.053 -0.388 -7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.257 1.263 -6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.811 1.013 -8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -9.983 -1.848 -7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -9.829 -0.691 -6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.164 -1.868 -6.407 1.00 0.00 H new ATOM 510 N ASP A 674 -13.308 3.886 -7.109 1.00 0.00 N ATOM 511 CA ASP A 674 -14.299 4.830 -6.634 1.00 0.00 C ATOM 512 C ASP A 674 -15.690 4.212 -6.676 1.00 0.00 C ATOM 513 O ASP A 674 -16.183 3.818 -7.738 1.00 0.00 O ATOM 514 CB ASP A 674 -14.257 6.140 -7.443 1.00 0.00 C ATOM 515 CG ASP A 674 -14.207 5.949 -8.953 1.00 0.00 C ATOM 516 OD1 ASP A 674 -13.570 4.981 -9.434 1.00 0.00 O ATOM 517 OD2 ASP A 674 -14.778 6.794 -9.672 1.00 0.00 O ATOM 0 H ASP A 674 -13.148 3.917 -8.116 1.00 0.00 H new ATOM 0 HA ASP A 674 -14.061 5.073 -5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -15.136 6.734 -7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -13.385 6.716 -7.133 1.00 0.00 H new ATOM 522 N THR A 675 -16.304 4.106 -5.508 1.00 0.00 N ATOM 523 CA THR A 675 -17.631 3.525 -5.375 1.00 0.00 C ATOM 524 C THR A 675 -18.710 4.538 -5.751 1.00 0.00 C ATOM 525 O THR A 675 -19.400 5.082 -4.888 1.00 0.00 O ATOM 526 CB THR A 675 -17.855 3.039 -3.932 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.930 3.693 -3.054 1.00 0.00 O ATOM 528 CG2 THR A 675 -17.672 1.533 -3.833 1.00 0.00 C ATOM 0 H THR A 675 -15.897 4.420 -4.627 1.00 0.00 H new ATOM 0 HA THR A 675 -17.699 2.677 -6.056 1.00 0.00 H new ATOM 0 HB THR A 675 -18.876 3.284 -3.641 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.528 3.033 -2.451 1.00 0.00 H new ATOM 0 HG21 THR A 675 -17.835 1.214 -2.804 1.00 0.00 H new ATOM 0 HG22 THR A 675 -18.389 1.036 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 675 -16.660 1.269 -4.139 1.00 0.00 H new ATOM 806 N TRP A 20 -21.999 -6.880 -2.786 1.00 0.00 N ATOM 807 CA TRP A 20 -21.006 -5.874 -3.165 1.00 0.00 C ATOM 808 C TRP A 20 -19.727 -6.536 -3.680 1.00 0.00 C ATOM 809 O TRP A 20 -19.764 -7.338 -4.614 1.00 0.00 O ATOM 810 CB TRP A 20 -20.682 -4.930 -1.993 1.00 0.00 C ATOM 811 CG TRP A 20 -21.854 -4.619 -1.123 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.031 -4.046 -1.504 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.956 -4.857 0.283 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.865 -3.925 -0.421 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.227 -4.414 0.687 1.00 0.00 C ATOM 816 CE3 TRP A 20 -21.099 -5.408 1.239 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.661 -4.502 2.002 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.531 -5.493 2.548 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.803 -5.045 2.919 1.00 0.00 C ATOM 0 HA TRP A 20 -21.439 -5.278 -3.969 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.899 -5.380 -1.383 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.280 -3.998 -2.391 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.271 -3.734 -2.509 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.807 -3.534 -0.439 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -20.117 -5.761 0.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.642 -4.154 2.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.876 -5.912 3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.114 -5.129 3.950 1.00 0.00 H new ATOM 830 N LYS A 21 -18.604 -6.203 -3.060 1.00 0.00 N ATOM 831 CA LYS A 21 -17.314 -6.743 -3.455 1.00 0.00 C ATOM 832 C LYS A 21 -16.802 -7.695 -2.385 1.00 0.00 C ATOM 833 O LYS A 21 -17.045 -7.487 -1.199 1.00 0.00 O ATOM 834 CB LYS A 21 -16.316 -5.603 -3.666 1.00 0.00 C ATOM 835 CG LYS A 21 -15.753 -5.525 -5.078 1.00 0.00 C ATOM 836 CD LYS A 21 -16.857 -5.497 -6.123 1.00 0.00 C ATOM 837 CE LYS A 21 -16.341 -5.930 -7.486 1.00 0.00 C ATOM 838 NZ LYS A 21 -16.287 -7.410 -7.616 1.00 0.00 N ATOM 0 H LYS A 21 -18.562 -5.555 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.427 -7.291 -4.390 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.804 -4.658 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.491 -5.721 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.137 -4.631 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.103 -6.381 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.669 -6.155 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.270 -4.491 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.985 -5.521 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.346 -5.515 -7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.930 -7.663 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.652 -7.799 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.241 -7.805 -7.490 1.00 0.00 H new ATOM 852 N ARG A 22 -16.101 -8.738 -2.801 1.00 0.00 N ATOM 853 CA ARG A 22 -15.568 -9.708 -1.857 1.00 0.00 C ATOM 854 C ARG A 22 -14.098 -9.424 -1.569 1.00 0.00 C ATOM 855 O ARG A 22 -13.326 -9.103 -2.477 1.00 0.00 O ATOM 856 CB ARG A 22 -15.740 -11.132 -2.388 1.00 0.00 C ATOM 857 CG ARG A 22 -16.204 -12.123 -1.332 1.00 0.00 C ATOM 858 CD ARG A 22 -15.037 -12.644 -0.507 1.00 0.00 C ATOM 859 NE ARG A 22 -15.083 -14.096 -0.345 1.00 0.00 N ATOM 860 CZ ARG A 22 -14.684 -14.962 -1.277 1.00 0.00 C ATOM 861 NH1 ARG A 22 -14.134 -14.524 -2.405 1.00 0.00 N ATOM 862 NH2 ARG A 22 -14.809 -16.269 -1.073 1.00 0.00 N ATOM 0 H ARG A 22 -15.889 -8.934 -3.779 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.128 -9.618 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.460 -11.121 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.792 -11.473 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.930 -11.644 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.712 -12.958 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.100 -12.363 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.047 -12.170 0.474 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.442 -14.469 0.534 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.016 -13.523 -2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.830 -15.189 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.211 -16.613 -0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.503 -16.928 -1.788 1.00 0.00 H new ATOM 876 N CYS A 23 -13.722 -9.557 -0.304 1.00 0.00 N ATOM 877 CA CYS A 23 -12.377 -9.236 0.142 1.00 0.00 C ATOM 878 C CYS A 23 -11.483 -10.471 0.183 1.00 0.00 C ATOM 879 O CYS A 23 -11.961 -11.602 0.295 1.00 0.00 O ATOM 880 CB CYS A 23 -12.435 -8.596 1.528 1.00 0.00 C ATOM 881 SG CYS A 23 -10.814 -8.146 2.222 1.00 0.00 S ATOM 0 H CYS A 23 -14.339 -9.889 0.437 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.946 -8.537 -0.575 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.054 -7.701 1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.930 -9.286 2.212 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.974 -7.258 3.158 1.00 0.00 H new ATOM 886 N ALA A 24 -10.183 -10.237 0.081 1.00 0.00 N ATOM 887 CA ALA A 24 -9.192 -11.295 0.192 1.00 0.00 C ATOM 888 C ALA A 24 -8.450 -11.192 1.523 1.00 0.00 C ATOM 889 O ALA A 24 -7.600 -12.023 1.841 1.00 0.00 O ATOM 890 CB ALA A 24 -8.211 -11.219 -0.968 1.00 0.00 C ATOM 0 H ALA A 24 -9.787 -9.311 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.703 -12.257 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.474 -12.016 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.750 -11.333 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.705 -10.254 -0.954 1.00 0.00 H new ATOM 896 N GLY A 25 -8.781 -10.165 2.294 1.00 0.00 N ATOM 897 CA GLY A 25 -8.122 -9.936 3.562 1.00 0.00 C ATOM 898 C GLY A 25 -8.887 -10.511 4.739 1.00 0.00 C ATOM 899 O GLY A 25 -8.306 -11.193 5.586 1.00 0.00 O ATOM 0 H GLY A 25 -9.501 -9.481 2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.126 -10.377 3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.991 -8.864 3.709 1.00 0.00 H new ATOM 903 N CYS A 26 -10.193 -10.254 4.805 1.00 0.00 N ATOM 904 CA CYS A 26 -10.982 -10.773 5.907 1.00 0.00 C ATOM 905 C CYS A 26 -11.720 -12.030 5.469 1.00 0.00 C ATOM 906 O CYS A 26 -11.703 -13.043 6.169 1.00 0.00 O ATOM 907 CB CYS A 26 -11.953 -9.726 6.489 1.00 0.00 C ATOM 908 SG CYS A 26 -12.803 -8.644 5.286 1.00 0.00 S ATOM 0 H CYS A 26 -10.712 -9.702 4.122 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.294 -11.027 6.714 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.711 -10.250 7.071 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.398 -9.095 7.183 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.017 -8.416 4.276 1.00 0.00 H new ATOM 913 N GLY A 27 -12.352 -11.969 4.305 1.00 0.00 N ATOM 914 CA GLY A 27 -12.978 -13.151 3.744 1.00 0.00 C ATOM 915 C GLY A 27 -14.437 -12.945 3.411 1.00 0.00 C ATOM 916 O GLY A 27 -15.007 -13.684 2.608 1.00 0.00 O ATOM 0 H GLY A 27 -12.443 -11.125 3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.443 -13.445 2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.885 -13.975 4.452 1.00 0.00 H new ATOM 920 N GLY A 28 -15.044 -11.948 4.031 1.00 0.00 N ATOM 921 CA GLY A 28 -16.437 -11.668 3.777 1.00 0.00 C ATOM 922 C GLY A 28 -16.623 -10.618 2.705 1.00 0.00 C ATOM 923 O GLY A 28 -15.828 -10.527 1.764 1.00 0.00 O ATOM 0 H GLY A 28 -14.596 -11.328 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.941 -12.586 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.912 -11.332 4.699 1.00 0.00 H new ATOM 927 N LYS A 29 -17.667 -9.820 2.846 1.00 0.00 N ATOM 928 CA LYS A 29 -17.954 -8.771 1.886 1.00 0.00 C ATOM 929 C LYS A 29 -17.318 -7.464 2.335 1.00 0.00 C ATOM 930 O LYS A 29 -17.221 -7.188 3.534 1.00 0.00 O ATOM 931 CB LYS A 29 -19.466 -8.589 1.718 1.00 0.00 C ATOM 932 CG LYS A 29 -20.268 -9.843 2.020 1.00 0.00 C ATOM 933 CD LYS A 29 -21.736 -9.667 1.665 1.00 0.00 C ATOM 934 CE LYS A 29 -22.507 -9.008 2.797 1.00 0.00 C ATOM 935 NZ LYS A 29 -23.746 -9.755 3.136 1.00 0.00 N ATOM 0 H LYS A 29 -18.331 -9.880 3.618 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.533 -9.060 0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.802 -7.786 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -19.674 -8.273 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.856 -10.683 1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -20.176 -10.089 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.823 -9.061 0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -22.176 -10.639 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.870 -8.943 3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -22.765 -7.988 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.241 -9.272 3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.366 -9.796 2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.499 -10.721 3.431 1.00 0.00 H new ATOM 949 N ILE A 30 -16.867 -6.678 1.374 1.00 0.00 N ATOM 950 CA ILE A 30 -16.284 -5.381 1.665 1.00 0.00 C ATOM 951 C ILE A 30 -17.385 -4.383 1.992 1.00 0.00 C ATOM 952 O ILE A 30 -18.144 -3.969 1.115 1.00 0.00 O ATOM 953 CB ILE A 30 -15.445 -4.854 0.475 1.00 0.00 C ATOM 954 CG1 ILE A 30 -14.245 -5.772 0.222 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.974 -3.427 0.732 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.530 -5.504 -1.086 1.00 0.00 C ATOM 0 H ILE A 30 -16.894 -6.916 0.383 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.621 -5.498 2.522 1.00 0.00 H new ATOM 0 HB ILE A 30 -16.078 -4.850 -0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.535 -5.660 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.584 -6.808 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.387 -3.079 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.839 -2.777 0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.359 -3.403 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.693 -6.194 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.223 -5.645 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.158 -4.479 -1.094 1.00 0.00 H new ATOM 968 N ALA A 31 -17.472 -4.011 3.258 1.00 0.00 N ATOM 969 CA ALA A 31 -18.456 -3.039 3.695 1.00 0.00 C ATOM 970 C ALA A 31 -17.795 -1.695 3.935 1.00 0.00 C ATOM 971 O ALA A 31 -18.364 -0.802 4.568 1.00 0.00 O ATOM 972 CB ALA A 31 -19.173 -3.527 4.942 1.00 0.00 C ATOM 0 H ALA A 31 -16.872 -4.369 4.001 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.201 -2.917 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.907 -2.784 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.679 -4.468 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.449 -3.680 5.742 1.00 0.00 H new ATOM 978 N ASP A 32 -16.580 -1.566 3.424 1.00 0.00 N ATOM 979 CA ASP A 32 -15.857 -0.307 3.475 1.00 0.00 C ATOM 980 C ASP A 32 -16.351 0.601 2.364 1.00 0.00 C ATOM 981 O ASP A 32 -17.166 0.186 1.538 1.00 0.00 O ATOM 982 CB ASP A 32 -14.357 -0.545 3.323 1.00 0.00 C ATOM 983 CG ASP A 32 -13.524 0.361 4.205 1.00 0.00 C ATOM 984 OD1 ASP A 32 -13.929 1.521 4.433 1.00 0.00 O ATOM 985 OD2 ASP A 32 -12.455 -0.089 4.678 1.00 0.00 O ATOM 0 H ASP A 32 -16.073 -2.324 2.967 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.035 0.166 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.133 -1.584 3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.073 -0.391 2.282 1.00 0.00 H new ATOM 990 N ARG A 33 -15.867 1.828 2.329 1.00 0.00 N ATOM 991 CA ARG A 33 -16.304 2.766 1.314 1.00 0.00 C ATOM 992 C ARG A 33 -15.528 2.556 0.024 1.00 0.00 C ATOM 993 O ARG A 33 -16.096 2.177 -1.001 1.00 0.00 O ATOM 994 CB ARG A 33 -16.147 4.205 1.803 1.00 0.00 C ATOM 995 CG ARG A 33 -17.463 4.963 1.851 1.00 0.00 C ATOM 996 CD ARG A 33 -17.439 6.194 0.957 1.00 0.00 C ATOM 997 NE ARG A 33 -18.788 6.613 0.565 1.00 0.00 N ATOM 998 CZ ARG A 33 -19.649 7.228 1.381 1.00 0.00 C ATOM 999 NH1 ARG A 33 -19.303 7.520 2.630 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -20.861 7.558 0.947 1.00 0.00 N ATOM 0 H ARG A 33 -15.178 2.196 2.985 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.360 2.585 1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.702 4.198 2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.454 4.732 1.147 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.274 4.304 1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.672 5.263 2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -16.942 7.012 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.851 5.982 0.064 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.088 6.423 -0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -18.374 7.275 2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -19.966 7.990 3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -21.136 7.342 -0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -21.516 8.027 1.572 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.234 2.806 0.073 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.395 2.677 -1.105 1.00 0.00 C ATOM 1016 C PHE A 34 -12.597 1.380 -1.076 1.00 0.00 C ATOM 1017 O PHE A 34 -11.900 1.090 -0.100 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.456 3.879 -1.225 1.00 0.00 C ATOM 1019 CG PHE A 34 -12.986 4.944 -2.140 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -14.305 5.354 -2.050 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -12.172 5.522 -3.097 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -14.804 6.322 -2.894 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -12.664 6.491 -3.948 1.00 0.00 C ATOM 1024 CZ PHE A 34 -13.984 6.890 -3.847 1.00 0.00 C ATOM 0 H PHE A 34 -13.740 3.100 0.915 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.046 2.650 -1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.292 4.306 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.487 3.541 -1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.952 4.909 -1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.141 5.212 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.834 6.635 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.019 6.937 -4.691 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.373 7.646 -4.514 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.710 0.598 -2.141 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.906 -0.603 -2.282 1.00 0.00 C ATOM 1036 C LEU A 35 -10.655 -0.284 -3.086 1.00 0.00 C ATOM 1037 O LEU A 35 -10.668 0.588 -3.959 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.691 -1.748 -2.940 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.767 -1.335 -3.944 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -13.725 -2.243 -5.161 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -15.142 -1.377 -3.300 1.00 0.00 C ATOM 0 H LEU A 35 -13.349 0.775 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.625 -0.941 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.982 -2.403 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.163 -2.337 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.569 -0.312 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.496 -1.939 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.747 -2.169 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.902 -3.273 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.895 -1.080 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.351 -2.389 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.168 -0.692 -2.453 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.576 -0.982 -2.791 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.291 -0.671 -3.392 1.00 0.00 C ATOM 1055 C LEU A 36 -7.652 -1.907 -4.005 1.00 0.00 C ATOM 1056 O LEU A 36 -7.811 -3.020 -3.500 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.348 -0.066 -2.347 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.974 1.003 -1.448 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.961 0.551 0.004 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -7.245 2.328 -1.608 1.00 0.00 C ATOM 0 H LEU A 36 -9.562 -1.767 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.464 0.054 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.965 -0.869 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.492 0.370 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.011 1.147 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.410 1.323 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.531 -0.373 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.933 0.379 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.704 3.076 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.198 2.203 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.310 2.656 -2.645 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.952 -1.695 -5.108 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.163 -2.734 -5.749 1.00 0.00 C ATOM 1074 C TYR A 37 -4.746 -2.693 -5.213 1.00 0.00 C ATOM 1075 O TYR A 37 -4.140 -1.628 -5.150 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.119 -2.507 -7.258 1.00 0.00 C ATOM 1077 CG TYR A 37 -6.993 -3.436 -8.057 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.053 -4.791 -7.771 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.749 -2.951 -9.110 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.849 -5.640 -8.512 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.547 -3.786 -9.855 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.595 -5.133 -9.557 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.392 -5.972 -10.303 1.00 0.00 O ATOM 0 H TYR A 37 -6.915 -0.794 -5.585 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.620 -3.701 -5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.417 -1.480 -7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.089 -2.615 -7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.467 -5.188 -6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.711 -1.899 -9.350 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.888 -6.693 -8.276 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.134 -3.390 -10.670 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.300 -5.974 -9.934 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.225 -3.837 -4.824 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.857 -3.910 -4.347 1.00 0.00 C ATOM 1095 C ALA A 38 -2.034 -4.840 -5.220 1.00 0.00 C ATOM 1096 O ALA A 38 -1.358 -4.405 -6.148 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.828 -4.369 -2.900 1.00 0.00 C ATOM 0 H ALA A 38 -4.724 -4.727 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.417 -2.914 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.795 -4.419 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.383 -3.662 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.285 -5.355 -2.822 1.00 0.00 H new ATOM 1103 N MET A 39 -2.109 -6.125 -4.925 1.00 0.00 N ATOM 1104 CA MET A 39 -1.359 -7.117 -5.671 1.00 0.00 C ATOM 1105 C MET A 39 -2.121 -7.550 -6.918 1.00 0.00 C ATOM 1106 O MET A 39 -1.568 -7.579 -8.013 1.00 0.00 O ATOM 1107 CB MET A 39 -1.075 -8.331 -4.788 1.00 0.00 C ATOM 1108 CG MET A 39 0.126 -8.157 -3.875 1.00 0.00 C ATOM 1109 SD MET A 39 0.429 -9.605 -2.852 1.00 0.00 S ATOM 1110 CE MET A 39 0.579 -8.834 -1.244 1.00 0.00 C ATOM 0 H MET A 39 -2.683 -6.506 -4.173 1.00 0.00 H new ATOM 0 HA MET A 39 -0.415 -6.669 -5.982 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.955 -8.540 -4.180 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.913 -9.201 -5.424 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.010 -7.951 -4.478 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.032 -7.290 -3.234 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.295 -9.391 -0.639 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.926 -7.808 -1.364 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.392 -8.834 -0.749 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.406 -7.854 -6.742 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.225 -8.422 -7.812 1.00 0.00 C ATOM 1122 C ASP A 40 -5.659 -8.635 -7.337 1.00 0.00 C ATOM 1123 O ASP A 40 -6.568 -8.843 -8.140 1.00 0.00 O ATOM 1124 CB ASP A 40 -3.642 -9.762 -8.287 1.00 0.00 C ATOM 1125 CG ASP A 40 -3.919 -10.908 -7.325 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -3.880 -10.689 -6.092 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -4.162 -12.039 -7.799 1.00 0.00 O ATOM 0 H ASP A 40 -3.905 -7.715 -5.863 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.224 -7.716 -8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.059 -10.007 -9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.565 -9.657 -8.417 1.00 0.00 H new ATOM 1132 N SER A 41 -5.849 -8.594 -6.027 1.00 0.00 N ATOM 1133 CA SER A 41 -7.146 -8.831 -5.429 1.00 0.00 C ATOM 1134 C SER A 41 -7.786 -7.516 -4.990 1.00 0.00 C ATOM 1135 O SER A 41 -7.144 -6.464 -5.038 1.00 0.00 O ATOM 1136 CB SER A 41 -6.973 -9.777 -4.241 1.00 0.00 C ATOM 1137 OG SER A 41 -5.603 -10.125 -4.068 1.00 0.00 O ATOM 0 H SER A 41 -5.109 -8.396 -5.354 1.00 0.00 H new ATOM 0 HA SER A 41 -7.810 -9.288 -6.163 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.350 -9.303 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.565 -10.679 -4.399 1.00 0.00 H new ATOM 0 HG SER A 41 -5.252 -9.682 -3.268 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.050 -7.574 -4.596 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.752 -6.401 -4.093 1.00 0.00 C ATOM 1145 C TYR A 42 -9.603 -6.313 -2.581 1.00 0.00 C ATOM 1146 O TYR A 42 -9.801 -7.301 -1.871 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.238 -6.457 -4.460 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.509 -6.400 -5.949 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.312 -7.513 -6.754 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -11.964 -5.230 -6.546 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.557 -7.467 -8.111 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.211 -5.175 -7.904 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.007 -6.297 -8.682 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.246 -6.244 -10.035 1.00 0.00 O ATOM 0 H TYR A 42 -9.613 -8.424 -4.615 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.312 -5.517 -4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.666 -7.375 -4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.753 -5.627 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.960 -8.433 -6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.127 -4.351 -5.939 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.397 -8.343 -8.722 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.562 -4.259 -8.355 1.00 0.00 H new ATOM 0 HH TYR A 42 -12.560 -5.348 -10.277 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.240 -5.138 -2.098 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.072 -4.915 -0.671 1.00 0.00 C ATOM 1166 C TRP A 43 -9.818 -3.658 -0.240 1.00 0.00 C ATOM 1167 O TRP A 43 -10.364 -2.938 -1.070 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.588 -4.761 -0.303 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.664 -5.712 -1.002 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.257 -5.660 -2.305 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.007 -6.843 -0.423 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.413 -6.708 -2.577 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.242 -7.446 -1.437 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.004 -7.413 0.853 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.472 -8.583 -1.213 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.239 -8.542 1.076 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.485 -9.120 0.044 1.00 0.00 C ATOM 0 H TRP A 43 -9.055 -4.318 -2.676 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.478 -5.784 -0.154 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.276 -3.741 -0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.479 -4.896 0.773 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.556 -4.905 -3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.983 -6.905 -3.481 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.589 -6.979 1.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.885 -9.026 -2.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.221 -8.986 2.060 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.903 -10.007 0.247 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.829 -3.407 1.056 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.381 -2.178 1.620 1.00 0.00 C ATOM 1190 C HIS A 44 -9.435 -1.687 2.706 1.00 0.00 C ATOM 1191 O HIS A 44 -8.512 -2.413 3.083 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.813 -2.376 2.179 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.978 -3.562 3.083 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.730 -3.576 4.254 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.438 -4.787 2.977 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.600 -4.802 4.803 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.824 -5.547 4.051 1.00 0.00 N ATOM 0 H HIS A 44 -9.455 -4.049 1.754 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.468 -1.434 0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.102 -1.478 2.725 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.504 -2.476 1.342 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -13.279 -2.802 4.628 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.800 -5.121 2.172 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.065 -5.122 5.724 1.00 0.00 H new ATOM 1205 N SER A 45 -9.669 -0.481 3.204 1.00 0.00 N ATOM 1206 CA SER A 45 -8.747 0.191 4.120 1.00 0.00 C ATOM 1207 C SER A 45 -8.283 -0.703 5.277 1.00 0.00 C ATOM 1208 O SER A 45 -7.121 -0.649 5.675 1.00 0.00 O ATOM 1209 CB SER A 45 -9.416 1.449 4.672 1.00 0.00 C ATOM 1210 OG SER A 45 -10.635 1.714 3.990 1.00 0.00 O ATOM 0 H SER A 45 -10.504 0.063 2.986 1.00 0.00 H new ATOM 0 HA SER A 45 -7.854 0.446 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.610 1.325 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.743 2.300 4.567 1.00 0.00 H new ATOM 0 HG SER A 45 -11.380 1.314 4.485 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.184 -1.528 5.803 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.889 -2.330 6.985 1.00 0.00 C ATOM 1218 C ARG A 46 -7.967 -3.519 6.695 1.00 0.00 C ATOM 1219 O ARG A 46 -7.149 -3.891 7.540 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.187 -2.829 7.612 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.201 -2.691 9.118 1.00 0.00 C ATOM 1222 CD ARG A 46 -10.128 -4.048 9.799 1.00 0.00 C ATOM 1223 NE ARG A 46 -11.462 -4.574 10.075 1.00 0.00 N ATOM 1224 CZ ARG A 46 -12.011 -5.599 9.425 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -11.293 -6.306 8.558 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -13.269 -5.939 9.672 1.00 0.00 N ATOM 0 H ARG A 46 -10.124 -1.658 5.429 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.357 -1.678 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.025 -2.272 7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.335 -3.876 7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.359 -2.076 9.437 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.109 -2.174 9.429 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.583 -4.747 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.569 -3.960 10.731 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.008 -4.128 10.812 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.317 -6.065 8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.718 -7.090 8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.813 -5.416 10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.692 -6.723 9.176 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.106 -4.131 5.527 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.314 -5.314 5.207 1.00 0.00 C ATOM 1242 C CYS A 47 -6.091 -4.959 4.379 1.00 0.00 C ATOM 1243 O CYS A 47 -5.048 -5.608 4.491 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.155 -6.340 4.460 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.347 -7.231 5.504 1.00 0.00 S ATOM 0 H CYS A 47 -8.750 -3.835 4.793 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.979 -5.743 6.151 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.696 -5.836 3.660 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.490 -7.064 3.988 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.553 -6.844 5.213 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.220 -3.936 3.543 1.00 0.00 N ATOM 1251 CA LEU A 48 -5.113 -3.485 2.729 1.00 0.00 C ATOM 1252 C LEU A 48 -4.122 -2.718 3.585 1.00 0.00 C ATOM 1253 O LEU A 48 -4.053 -1.490 3.541 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.612 -2.616 1.574 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.848 -2.766 0.255 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -4.240 -1.440 -0.144 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.772 -3.840 0.360 1.00 0.00 C ATOM 0 H LEU A 48 -7.083 -3.407 3.415 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.612 -4.355 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.661 -2.850 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.567 -1.572 1.883 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.553 -3.078 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.699 -1.556 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.031 -0.700 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.552 -1.107 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.247 -3.923 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.063 -3.570 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.235 -4.796 0.604 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.393 -3.461 4.400 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.403 -2.899 5.293 1.00 0.00 C ATOM 1271 C LYS A 49 -1.213 -3.836 5.402 1.00 0.00 C ATOM 1272 O LYS A 49 -1.198 -4.918 4.812 1.00 0.00 O ATOM 1273 CB LYS A 49 -2.994 -2.684 6.692 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.382 -2.062 6.703 1.00 0.00 C ATOM 1275 CD LYS A 49 -4.521 -1.038 7.812 1.00 0.00 C ATOM 1276 CE LYS A 49 -5.484 -1.510 8.885 1.00 0.00 C ATOM 1277 NZ LYS A 49 -5.014 -1.151 10.247 1.00 0.00 N ATOM 0 H LYS A 49 -3.474 -4.476 4.459 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.086 -1.939 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.036 -3.644 7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.320 -2.046 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.577 -1.588 5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.131 -2.843 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.544 -0.846 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.872 -0.094 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.466 -1.069 8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.604 -2.591 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.965 -2.008 10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.070 -0.719 10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.677 -0.474 10.676 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.232 -3.408 6.172 1.00 0.00 N ATOM 1292 CA CYS A 50 0.931 -4.212 6.472 1.00 0.00 C ATOM 1293 C CYS A 50 0.541 -5.387 7.361 1.00 0.00 C ATOM 1294 O CYS A 50 -0.275 -5.237 8.267 1.00 0.00 O ATOM 1295 CB CYS A 50 1.937 -3.326 7.191 1.00 0.00 C ATOM 1296 SG CYS A 50 3.611 -4.003 7.386 1.00 0.00 S ATOM 0 H CYS A 50 -0.222 -2.486 6.609 1.00 0.00 H new ATOM 0 HA CYS A 50 1.363 -4.610 5.554 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.010 -2.383 6.650 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.544 -3.096 8.181 1.00 0.00 H new ATOM 0 HG CYS A 50 4.484 -3.050 7.243 1.00 0.00 H new ATOM 1301 N SER A 51 1.108 -6.548 7.098 1.00 0.00 N ATOM 1302 CA SER A 51 0.897 -7.696 7.963 1.00 0.00 C ATOM 1303 C SER A 51 1.807 -7.605 9.189 1.00 0.00 C ATOM 1304 O SER A 51 1.646 -8.348 10.157 1.00 0.00 O ATOM 1305 CB SER A 51 1.149 -9.000 7.201 1.00 0.00 C ATOM 1306 OG SER A 51 2.093 -8.813 6.159 1.00 0.00 O ATOM 0 H SER A 51 1.715 -6.723 6.297 1.00 0.00 H new ATOM 0 HA SER A 51 -0.140 -7.694 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.511 -9.763 7.890 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.211 -9.367 6.784 1.00 0.00 H new ATOM 0 HG SER A 51 1.675 -8.318 5.424 1.00 0.00 H new ATOM 1312 N SER A 52 2.760 -6.680 9.144 1.00 0.00 N ATOM 1313 CA SER A 52 3.738 -6.549 10.212 1.00 0.00 C ATOM 1314 C SER A 52 3.355 -5.443 11.198 1.00 0.00 C ATOM 1315 O SER A 52 3.279 -5.687 12.404 1.00 0.00 O ATOM 1316 CB SER A 52 5.120 -6.281 9.616 1.00 0.00 C ATOM 1317 OG SER A 52 5.102 -6.423 8.204 1.00 0.00 O ATOM 0 H SER A 52 2.874 -6.013 8.381 1.00 0.00 H new ATOM 0 HA SER A 52 3.760 -7.486 10.769 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.444 -5.274 9.880 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.845 -6.972 10.045 1.00 0.00 H new ATOM 0 HG SER A 52 4.768 -5.597 7.796 1.00 0.00 H new ATOM 1323 N CYS A 53 3.087 -4.240 10.696 1.00 0.00 N ATOM 1324 CA CYS A 53 2.752 -3.129 11.577 1.00 0.00 C ATOM 1325 C CYS A 53 1.290 -2.718 11.410 1.00 0.00 C ATOM 1326 O CYS A 53 0.744 -1.974 12.229 1.00 0.00 O ATOM 1327 CB CYS A 53 3.699 -1.942 11.349 1.00 0.00 C ATOM 1328 SG CYS A 53 3.536 -1.098 9.743 1.00 0.00 S ATOM 0 H CYS A 53 3.095 -4.013 9.702 1.00 0.00 H new ATOM 0 HA CYS A 53 2.884 -3.463 12.606 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.533 -1.212 12.141 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.725 -2.295 11.451 1.00 0.00 H new ATOM 0 HG CYS A 53 3.588 -1.975 8.785 1.00 0.00 H new ATOM 1333 N GLN A 54 0.669 -3.223 10.349 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.754 -3.008 10.078 1.00 0.00 C ATOM 1335 C GLN A 54 -1.099 -1.529 9.910 1.00 0.00 C ATOM 1336 O GLN A 54 -2.210 -1.104 10.234 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.612 -3.636 11.179 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.447 -4.810 10.698 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.883 -4.427 10.411 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.533 -3.756 11.213 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -4.388 -4.841 9.260 1.00 0.00 N ATOM 0 H GLN A 54 1.138 -3.796 9.648 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.975 -3.498 9.130 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.963 -3.969 11.989 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.273 -2.875 11.593 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.998 -5.224 9.795 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.429 -5.597 11.452 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.817 -5.395 8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.349 -4.606 9.010 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.150 -0.751 9.401 1.00 0.00 N ATOM 1351 CA ALA A 55 -0.407 0.645 9.072 1.00 0.00 C ATOM 1352 C ALA A 55 -1.389 0.730 7.913 1.00 0.00 C ATOM 1353 O ALA A 55 -1.408 -0.151 7.054 1.00 0.00 O ATOM 1354 CB ALA A 55 0.891 1.353 8.718 1.00 0.00 C ATOM 0 H ALA A 55 0.802 -1.063 9.208 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.842 1.138 9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.683 2.395 8.475 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.573 1.308 9.567 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.349 0.864 7.858 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.207 1.778 7.897 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.228 1.950 6.868 1.00 0.00 C ATOM 1362 C GLN A 56 -2.601 2.116 5.484 1.00 0.00 C ATOM 1363 O GLN A 56 -2.353 3.234 5.040 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.102 3.162 7.189 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.068 2.940 8.341 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.407 2.390 7.890 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -6.768 1.259 8.210 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -7.163 3.189 7.159 1.00 0.00 N ATOM 0 H GLN A 56 -2.182 2.526 8.590 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.845 1.051 6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.458 4.009 7.426 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.670 3.433 6.299 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.620 2.251 9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.226 3.884 8.863 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.830 4.121 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.079 2.874 6.841 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.364 1.000 4.805 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.731 1.014 3.490 1.00 0.00 C ATOM 1379 C LEU A 57 -2.694 1.543 2.434 1.00 0.00 C ATOM 1380 O LEU A 57 -2.275 2.035 1.389 1.00 0.00 O ATOM 1381 CB LEU A 57 -1.274 -0.398 3.115 1.00 0.00 C ATOM 1382 CG LEU A 57 0.239 -0.624 3.089 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.860 -0.341 4.449 1.00 0.00 C ATOM 1384 CD2 LEU A 57 0.555 -2.045 2.647 1.00 0.00 C ATOM 0 H LEU A 57 -2.602 0.068 5.145 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.865 1.674 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.715 -1.102 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.675 -0.640 2.131 1.00 0.00 H new ATOM 0 HG LEU A 57 0.671 0.072 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.936 -0.510 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.668 0.695 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.422 -1.005 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.635 -2.190 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.103 -2.752 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.154 -2.213 1.647 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.983 1.459 2.724 1.00 0.00 N ATOM 1397 CA GLY A 58 -4.981 1.939 1.797 1.00 0.00 C ATOM 1398 C GLY A 58 -5.332 3.395 2.028 1.00 0.00 C ATOM 1399 O GLY A 58 -6.188 3.949 1.341 1.00 0.00 O ATOM 0 H GLY A 58 -4.355 1.065 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.616 1.813 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.881 1.332 1.890 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.689 4.012 3.012 1.00 0.00 N ATOM 1404 CA ASP A 59 -4.949 5.414 3.322 1.00 0.00 C ATOM 1405 C ASP A 59 -3.855 6.306 2.767 1.00 0.00 C ATOM 1406 O ASP A 59 -3.751 7.485 3.115 1.00 0.00 O ATOM 1407 CB ASP A 59 -5.091 5.621 4.828 1.00 0.00 C ATOM 1408 CG ASP A 59 -6.502 6.009 5.214 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -7.241 6.514 4.346 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -6.886 5.798 6.381 1.00 0.00 O ATOM 0 H ASP A 59 -3.988 3.568 3.606 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.890 5.691 2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.811 4.705 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.399 6.397 5.155 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.039 5.733 1.910 1.00 0.00 N ATOM 1416 CA ILE A 60 -1.969 6.471 1.262 1.00 0.00 C ATOM 1417 C ILE A 60 -1.835 6.029 -0.182 1.00 0.00 C ATOM 1418 O ILE A 60 -1.941 4.844 -0.487 1.00 0.00 O ATOM 1419 CB ILE A 60 -0.605 6.285 1.971 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -0.666 5.158 3.002 1.00 0.00 C ATOM 1421 CG2 ILE A 60 -0.172 7.583 2.633 1.00 0.00 C ATOM 1422 CD1 ILE A 60 0.450 4.142 2.865 1.00 0.00 C ATOM 0 H ILE A 60 -3.094 4.750 1.642 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.236 7.526 1.318 1.00 0.00 H new ATOM 0 HB ILE A 60 0.132 6.011 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.630 5.591 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.624 4.646 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.788 7.437 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.076 8.363 1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.917 7.882 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.339 3.374 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.403 3.680 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.412 4.640 2.987 1.00 0.00 H new ATOM 1434 N GLY A 61 -1.606 6.983 -1.068 1.00 0.00 N ATOM 1435 CA GLY A 61 -1.431 6.664 -2.472 1.00 0.00 C ATOM 1436 C GLY A 61 -0.002 6.274 -2.801 1.00 0.00 C ATOM 1437 O GLY A 61 0.460 6.473 -3.925 1.00 0.00 O ATOM 0 H GLY A 61 -1.538 7.975 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.100 5.847 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.719 7.524 -3.076 1.00 0.00 H new ATOM 1441 N THR A 62 0.692 5.715 -1.822 1.00 0.00 N ATOM 1442 CA THR A 62 2.067 5.288 -2.002 1.00 0.00 C ATOM 1443 C THR A 62 2.136 3.783 -2.235 1.00 0.00 C ATOM 1444 O THR A 62 1.544 3.005 -1.487 1.00 0.00 O ATOM 1445 CB THR A 62 2.924 5.651 -0.776 1.00 0.00 C ATOM 1446 OG1 THR A 62 2.136 6.390 0.167 1.00 0.00 O ATOM 1447 CG2 THR A 62 4.128 6.478 -1.189 1.00 0.00 C ATOM 0 H THR A 62 0.320 5.546 -0.887 1.00 0.00 H new ATOM 0 HA THR A 62 2.460 5.808 -2.875 1.00 0.00 H new ATOM 0 HB THR A 62 3.275 4.727 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.686 6.617 0.946 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.720 6.724 -0.308 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.739 5.907 -1.889 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.791 7.397 -1.668 1.00 0.00 H new ATOM 1455 N SER A 63 2.849 3.383 -3.275 1.00 0.00 N ATOM 1456 CA SER A 63 2.980 1.978 -3.617 1.00 0.00 C ATOM 1457 C SER A 63 3.767 1.213 -2.553 1.00 0.00 C ATOM 1458 O SER A 63 4.783 1.693 -2.043 1.00 0.00 O ATOM 1459 CB SER A 63 3.665 1.847 -4.972 1.00 0.00 C ATOM 1460 OG SER A 63 3.653 3.086 -5.667 1.00 0.00 O ATOM 0 H SER A 63 3.348 4.016 -3.900 1.00 0.00 H new ATOM 0 HA SER A 63 1.982 1.543 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.693 1.513 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.160 1.086 -5.567 1.00 0.00 H new ATOM 0 HG SER A 63 2.784 3.209 -6.102 1.00 0.00 H new ATOM 1466 N SER A 64 3.281 0.031 -2.217 1.00 0.00 N ATOM 1467 CA SER A 64 3.949 -0.835 -1.259 1.00 0.00 C ATOM 1468 C SER A 64 4.809 -1.858 -1.998 1.00 0.00 C ATOM 1469 O SER A 64 4.907 -1.817 -3.228 1.00 0.00 O ATOM 1470 CB SER A 64 2.905 -1.536 -0.389 1.00 0.00 C ATOM 1471 OG SER A 64 1.631 -0.938 -0.567 1.00 0.00 O ATOM 0 H SER A 64 2.417 -0.355 -2.598 1.00 0.00 H new ATOM 0 HA SER A 64 4.597 -0.239 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.857 -2.594 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.198 -1.478 0.659 1.00 0.00 H new ATOM 0 HG SER A 64 1.240 -0.735 0.308 1.00 0.00 H new ATOM 1477 N TYR A 65 5.429 -2.768 -1.259 1.00 0.00 N ATOM 1478 CA TYR A 65 6.283 -3.783 -1.861 1.00 0.00 C ATOM 1479 C TYR A 65 5.910 -5.166 -1.355 1.00 0.00 C ATOM 1480 O TYR A 65 5.233 -5.307 -0.335 1.00 0.00 O ATOM 1481 CB TYR A 65 7.758 -3.512 -1.558 1.00 0.00 C ATOM 1482 CG TYR A 65 8.219 -2.114 -1.903 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.408 -1.724 -3.225 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.467 -1.185 -0.904 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.829 -0.445 -3.536 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.888 0.094 -1.210 1.00 0.00 C ATOM 1487 CZ TYR A 65 9.067 0.459 -2.525 1.00 0.00 C ATOM 1488 OH TYR A 65 9.479 1.737 -2.827 1.00 0.00 O ATOM 0 H TYR A 65 5.357 -2.824 -0.243 1.00 0.00 H new ATOM 0 HA TYR A 65 6.132 -3.741 -2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.937 -3.689 -0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.367 -4.229 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.223 -2.431 -4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.329 -1.466 0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.971 -0.156 -4.567 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.076 0.806 -0.420 1.00 0.00 H new ATOM 0 HH TYR A 65 9.600 2.246 -1.998 1.00 0.00 H new ATOM 1498 N THR A 66 6.349 -6.181 -2.074 1.00 0.00 N ATOM 1499 CA THR A 66 6.117 -7.549 -1.675 1.00 0.00 C ATOM 1500 C THR A 66 7.265 -8.438 -2.137 1.00 0.00 C ATOM 1501 O THR A 66 8.171 -7.986 -2.838 1.00 0.00 O ATOM 1502 CB THR A 66 4.773 -8.081 -2.228 1.00 0.00 C ATOM 1503 OG1 THR A 66 4.373 -9.256 -1.508 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.868 -8.392 -3.719 1.00 0.00 C ATOM 0 H THR A 66 6.872 -6.079 -2.944 1.00 0.00 H new ATOM 0 HA THR A 66 6.064 -7.573 -0.587 1.00 0.00 H new ATOM 0 HB THR A 66 4.024 -7.301 -2.092 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.889 -8.994 -0.697 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.907 -8.763 -4.075 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.131 -7.485 -4.264 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.634 -9.150 -3.885 1.00 0.00 H new ATOM 1512 N LYS A 67 7.219 -9.695 -1.731 1.00 0.00 N ATOM 1513 CA LYS A 67 8.233 -10.665 -2.099 1.00 0.00 C ATOM 1514 C LYS A 67 7.664 -12.070 -1.964 1.00 0.00 C ATOM 1515 O LYS A 67 7.448 -12.765 -2.953 1.00 0.00 O ATOM 1516 CB LYS A 67 9.471 -10.508 -1.211 1.00 0.00 C ATOM 1517 CG LYS A 67 10.784 -10.762 -1.936 1.00 0.00 C ATOM 1518 CD LYS A 67 11.972 -10.658 -0.991 1.00 0.00 C ATOM 1519 CE LYS A 67 13.277 -11.018 -1.683 1.00 0.00 C ATOM 1520 NZ LYS A 67 13.880 -9.847 -2.372 1.00 0.00 N ATOM 0 H LYS A 67 6.479 -10.070 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 67 8.530 -10.494 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.484 -9.499 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.392 -11.196 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.764 -11.753 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.898 -10.042 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.037 -9.643 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.818 -11.320 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.981 -11.410 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.097 -11.812 -2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.768 -10.134 -2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.219 -9.488 -3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.076 -9.098 -1.677 1.00 0.00 H new ATOM 1534 N SER A 68 7.390 -12.461 -0.731 1.00 0.00 N ATOM 1535 CA SER A 68 6.838 -13.776 -0.444 1.00 0.00 C ATOM 1536 C SER A 68 5.308 -13.746 -0.425 1.00 0.00 C ATOM 1537 O SER A 68 4.676 -14.392 0.409 1.00 0.00 O ATOM 1538 CB SER A 68 7.382 -14.259 0.898 1.00 0.00 C ATOM 1539 OG SER A 68 8.515 -13.493 1.273 1.00 0.00 O ATOM 0 H SER A 68 7.542 -11.881 0.094 1.00 0.00 H new ATOM 0 HA SER A 68 7.138 -14.466 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.609 -14.177 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.653 -15.313 0.831 1.00 0.00 H new ATOM 0 HG SER A 68 8.398 -13.163 2.188 1.00 0.00 H new ATOM 1545 N GLY A 69 4.720 -12.977 -1.340 1.00 0.00 N ATOM 1546 CA GLY A 69 3.271 -12.901 -1.435 1.00 0.00 C ATOM 1547 C GLY A 69 2.628 -12.295 -0.200 1.00 0.00 C ATOM 1548 O GLY A 69 1.489 -12.616 0.136 1.00 0.00 O ATOM 0 H GLY A 69 5.223 -12.404 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.000 -12.307 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.869 -13.902 -1.593 1.00 0.00 H new ATOM 1552 N MET A 70 3.359 -11.420 0.474 1.00 0.00 N ATOM 1553 CA MET A 70 2.886 -10.827 1.717 1.00 0.00 C ATOM 1554 C MET A 70 2.727 -9.321 1.572 1.00 0.00 C ATOM 1555 O MET A 70 3.584 -8.656 0.990 1.00 0.00 O ATOM 1556 CB MET A 70 3.868 -11.134 2.847 1.00 0.00 C ATOM 1557 CG MET A 70 3.194 -11.566 4.135 1.00 0.00 C ATOM 1558 SD MET A 70 4.132 -12.829 5.017 1.00 0.00 S ATOM 1559 CE MET A 70 5.773 -12.109 5.010 1.00 0.00 C ATOM 0 H MET A 70 4.284 -11.104 0.181 1.00 0.00 H new ATOM 0 HA MET A 70 1.913 -11.258 1.953 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.549 -11.920 2.522 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.473 -10.249 3.042 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.063 -10.698 4.781 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.199 -11.949 3.910 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.358 -12.529 5.829 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.264 -12.331 4.062 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.697 -11.029 5.135 1.00 0.00 H new ATOM 1569 N ILE A 71 1.623 -8.792 2.082 1.00 0.00 N ATOM 1570 CA ILE A 71 1.394 -7.348 2.074 1.00 0.00 C ATOM 1571 C ILE A 71 2.178 -6.679 3.194 1.00 0.00 C ATOM 1572 O ILE A 71 1.854 -6.839 4.373 1.00 0.00 O ATOM 1573 CB ILE A 71 -0.102 -6.982 2.233 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.948 -8.231 2.458 1.00 0.00 C ATOM 1575 CG2 ILE A 71 -0.597 -6.223 1.014 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.519 -8.331 3.854 1.00 0.00 C ATOM 0 H ILE A 71 0.872 -9.337 2.506 1.00 0.00 H new ATOM 0 HA ILE A 71 1.733 -6.989 1.102 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.201 -6.340 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.766 -8.240 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.339 -9.113 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.650 -5.974 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.019 -5.306 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.477 -6.843 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.109 -9.243 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.705 -8.354 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.155 -7.468 4.050 1.00 0.00 H new ATOM 1588 N LEU A 72 3.214 -5.947 2.822 1.00 0.00 N ATOM 1589 CA LEU A 72 4.071 -5.276 3.784 1.00 0.00 C ATOM 1590 C LEU A 72 4.263 -3.818 3.387 1.00 0.00 C ATOM 1591 O LEU A 72 4.214 -3.484 2.199 1.00 0.00 O ATOM 1592 CB LEU A 72 5.431 -5.976 3.848 1.00 0.00 C ATOM 1593 CG LEU A 72 5.693 -6.786 5.118 1.00 0.00 C ATOM 1594 CD1 LEU A 72 4.998 -8.135 5.056 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.188 -6.975 5.327 1.00 0.00 C ATOM 0 H LEU A 72 3.484 -5.801 1.849 1.00 0.00 H new ATOM 0 HA LEU A 72 3.598 -5.318 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.519 -6.641 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.213 -5.223 3.750 1.00 0.00 H new ATOM 0 HG LEU A 72 5.286 -6.230 5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.201 -8.691 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.923 -7.986 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.371 -8.697 4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.358 -7.553 6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.610 -7.506 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.668 -6.001 5.422 1.00 0.00 H new ATOM 1607 N CYS A 73 4.473 -2.949 4.369 1.00 0.00 N ATOM 1608 CA CYS A 73 4.742 -1.555 4.076 1.00 0.00 C ATOM 1609 C CYS A 73 6.153 -1.400 3.518 1.00 0.00 C ATOM 1610 O CYS A 73 6.986 -2.304 3.637 1.00 0.00 O ATOM 1611 CB CYS A 73 4.551 -0.679 5.321 1.00 0.00 C ATOM 1612 SG CYS A 73 5.781 -0.948 6.641 1.00 0.00 S ATOM 0 H CYS A 73 4.462 -3.185 5.361 1.00 0.00 H new ATOM 0 HA CYS A 73 4.028 -1.219 3.324 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.585 0.368 5.020 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.556 -0.862 5.728 1.00 0.00 H new ATOM 0 HG CYS A 73 5.176 -1.023 7.789 1.00 0.00 H new ATOM 1617 N ARG A 74 6.415 -0.246 2.919 1.00 0.00 N ATOM 1618 CA ARG A 74 7.714 0.034 2.313 1.00 0.00 C ATOM 1619 C ARG A 74 8.823 -0.080 3.351 1.00 0.00 C ATOM 1620 O ARG A 74 9.904 -0.590 3.068 1.00 0.00 O ATOM 1621 CB ARG A 74 7.737 1.435 1.685 1.00 0.00 C ATOM 1622 CG ARG A 74 6.381 2.122 1.638 1.00 0.00 C ATOM 1623 CD ARG A 74 6.522 3.635 1.695 1.00 0.00 C ATOM 1624 NE ARG A 74 7.366 4.064 2.813 1.00 0.00 N ATOM 1625 CZ ARG A 74 8.575 4.607 2.671 1.00 0.00 C ATOM 1626 NH1 ARG A 74 9.084 4.779 1.456 1.00 0.00 N ATOM 1627 NH2 ARG A 74 9.268 4.984 3.740 1.00 0.00 N ATOM 0 H ARG A 74 5.742 0.517 2.839 1.00 0.00 H new ATOM 0 HA ARG A 74 7.881 -0.704 1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.429 2.061 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.128 1.359 0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.859 1.838 0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.770 1.781 2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.949 3.995 0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.535 4.088 1.791 1.00 0.00 H new ATOM 0 HE ARG A 74 7.006 3.939 3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.550 4.496 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.009 5.194 1.345 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.875 4.858 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.193 5.399 3.628 1.00 0.00 H new ATOM 1641 N ASN A 75 8.527 0.371 4.560 1.00 0.00 N ATOM 1642 CA ASN A 75 9.504 0.378 5.638 1.00 0.00 C ATOM 1643 C ASN A 75 9.777 -1.035 6.142 1.00 0.00 C ATOM 1644 O ASN A 75 10.929 -1.423 6.342 1.00 0.00 O ATOM 1645 CB ASN A 75 9.000 1.248 6.790 1.00 0.00 C ATOM 1646 CG ASN A 75 10.123 1.783 7.658 1.00 0.00 C ATOM 1647 OD1 ASN A 75 11.280 1.829 7.241 1.00 0.00 O ATOM 1648 ND2 ASN A 75 9.786 2.205 8.868 1.00 0.00 N ATOM 0 H ASN A 75 7.612 0.739 4.820 1.00 0.00 H new ATOM 0 HA ASN A 75 10.436 0.789 5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.430 2.084 6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.316 0.665 7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.498 2.585 9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.815 2.149 9.175 1.00 0.00 H new ATOM 1655 N ASP A 76 8.715 -1.808 6.320 1.00 0.00 N ATOM 1656 CA ASP A 76 8.824 -3.137 6.917 1.00 0.00 C ATOM 1657 C ASP A 76 9.445 -4.130 5.958 1.00 0.00 C ATOM 1658 O ASP A 76 10.204 -5.002 6.375 1.00 0.00 O ATOM 1659 CB ASP A 76 7.457 -3.654 7.352 1.00 0.00 C ATOM 1660 CG ASP A 76 7.282 -3.626 8.853 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.172 -4.146 9.576 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.262 -3.086 9.320 1.00 0.00 O ATOM 0 H ASP A 76 7.766 -1.540 6.060 1.00 0.00 H new ATOM 0 HA ASP A 76 9.470 -3.039 7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.678 -3.050 6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.326 -4.675 6.993 1.00 0.00 H new ATOM 1667 N TYR A 77 9.115 -4.008 4.677 1.00 0.00 N ATOM 1668 CA TYR A 77 9.617 -4.938 3.673 1.00 0.00 C ATOM 1669 C TYR A 77 11.141 -4.952 3.656 1.00 0.00 C ATOM 1670 O TYR A 77 11.759 -6.017 3.663 1.00 0.00 O ATOM 1671 CB TYR A 77 9.091 -4.594 2.275 1.00 0.00 C ATOM 1672 CG TYR A 77 9.814 -5.345 1.179 1.00 0.00 C ATOM 1673 CD1 TYR A 77 9.840 -6.734 1.169 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.494 -4.670 0.173 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.523 -7.425 0.192 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.175 -5.358 -0.812 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.188 -6.734 -0.797 1.00 0.00 C ATOM 1678 OH TYR A 77 11.882 -7.421 -1.766 1.00 0.00 O ATOM 0 H TYR A 77 8.505 -3.277 4.311 1.00 0.00 H new ATOM 0 HA TYR A 77 9.254 -5.929 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.026 -4.823 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.195 -3.522 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.317 -7.281 1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.490 -3.590 0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.537 -8.505 0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.695 -4.819 -1.590 1.00 0.00 H new ATOM 0 HH TYR A 77 12.727 -7.749 -1.393 1.00 0.00 H new ATOM 1688 N ILE A 78 11.739 -3.770 3.649 1.00 0.00 N ATOM 1689 CA ILE A 78 13.191 -3.654 3.589 1.00 0.00 C ATOM 1690 C ILE A 78 13.829 -4.122 4.898 1.00 0.00 C ATOM 1691 O ILE A 78 14.953 -4.628 4.914 1.00 0.00 O ATOM 1692 CB ILE A 78 13.632 -2.205 3.276 1.00 0.00 C ATOM 1693 CG1 ILE A 78 12.836 -1.655 2.088 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.125 -2.154 2.985 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.034 -0.171 1.857 1.00 0.00 C ATOM 0 H ILE A 78 11.244 -2.879 3.684 1.00 0.00 H new ATOM 0 HA ILE A 78 13.534 -4.297 2.779 1.00 0.00 H new ATOM 0 HB ILE A 78 13.431 -1.583 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.125 -2.196 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.776 -1.850 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.418 -1.127 2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.677 -2.512 3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.350 -2.786 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.440 0.146 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.718 0.380 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.088 0.029 1.662 1.00 0.00 H new ATOM 1707 N ARG A 79 13.092 -3.969 5.991 1.00 0.00 N ATOM 1708 CA ARG A 79 13.565 -4.397 7.300 1.00 0.00 C ATOM 1709 C ARG A 79 13.498 -5.917 7.432 1.00 0.00 C ATOM 1710 O ARG A 79 14.323 -6.530 8.108 1.00 0.00 O ATOM 1711 CB ARG A 79 12.727 -3.749 8.405 1.00 0.00 C ATOM 1712 CG ARG A 79 13.194 -2.355 8.794 1.00 0.00 C ATOM 1713 CD ARG A 79 12.047 -1.521 9.341 1.00 0.00 C ATOM 1714 NE ARG A 79 12.503 -0.528 10.313 1.00 0.00 N ATOM 1715 CZ ARG A 79 12.391 -0.670 11.634 1.00 0.00 C ATOM 1716 NH1 ARG A 79 11.838 -1.763 12.146 1.00 0.00 N ATOM 1717 NH2 ARG A 79 12.832 0.287 12.445 1.00 0.00 N ATOM 0 H ARG A 79 12.162 -3.550 5.996 1.00 0.00 H new ATOM 0 HA ARG A 79 14.603 -4.082 7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.689 -3.696 8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.750 -4.389 9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.982 -2.429 9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.626 -1.858 7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.542 -1.016 8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.314 -2.177 9.810 1.00 0.00 H new ATOM 0 HE ARG A 79 12.933 0.326 9.958 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.496 -2.499 11.528 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.755 -1.867 13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.256 1.130 12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.746 0.179 13.456 1.00 0.00 H new ATOM 1731 N LEU A 80 12.512 -6.516 6.775 1.00 0.00 N ATOM 1732 CA LEU A 80 12.289 -7.952 6.867 1.00 0.00 C ATOM 1733 C LEU A 80 13.069 -8.708 5.796 1.00 0.00 C ATOM 1734 O LEU A 80 13.776 -9.673 6.093 1.00 0.00 O ATOM 1735 CB LEU A 80 10.794 -8.257 6.733 1.00 0.00 C ATOM 1736 CG LEU A 80 10.254 -9.287 7.728 1.00 0.00 C ATOM 1737 CD1 LEU A 80 8.752 -9.120 7.896 1.00 0.00 C ATOM 1738 CD2 LEU A 80 10.590 -10.700 7.270 1.00 0.00 C ATOM 0 H LEU A 80 11.852 -6.026 6.171 1.00 0.00 H new ATOM 0 HA LEU A 80 12.645 -8.285 7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.236 -7.328 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.600 -8.614 5.722 1.00 0.00 H new ATOM 0 HG LEU A 80 10.730 -9.120 8.694 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.381 -9.859 8.606 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.537 -8.118 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.260 -9.263 6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.198 -11.419 7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.141 -10.883 6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.672 -10.812 7.198 1.00 0.00 H new ATOM 1750 N PHE A 81 12.939 -8.272 4.554 1.00 0.00 N ATOM 1751 CA PHE A 81 13.559 -8.972 3.439 1.00 0.00 C ATOM 1752 C PHE A 81 14.643 -8.117 2.794 1.00 0.00 C ATOM 1753 O PHE A 81 15.788 -8.091 3.250 1.00 0.00 O ATOM 1754 CB PHE A 81 12.506 -9.352 2.389 1.00 0.00 C ATOM 1755 CG PHE A 81 11.373 -10.188 2.922 1.00 0.00 C ATOM 1756 CD1 PHE A 81 11.486 -11.566 2.996 1.00 0.00 C ATOM 1757 CD2 PHE A 81 10.192 -9.593 3.337 1.00 0.00 C ATOM 1758 CE1 PHE A 81 10.441 -12.334 3.477 1.00 0.00 C ATOM 1759 CE2 PHE A 81 9.147 -10.356 3.819 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.271 -11.727 3.888 1.00 0.00 C ATOM 0 H PHE A 81 12.412 -7.439 4.292 1.00 0.00 H new ATOM 0 HA PHE A 81 14.017 -9.881 3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.096 -8.440 1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.995 -9.897 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.399 -12.046 2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.088 -8.519 3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.540 -13.408 3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.233 -9.879 4.142 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.454 -12.326 4.263 1.00 0.00 H new ATOM 1770 N GLY A 82 14.270 -7.410 1.738 1.00 0.00 N ATOM 1771 CA GLY A 82 15.223 -6.628 0.987 1.00 0.00 C ATOM 1772 C GLY A 82 15.391 -7.175 -0.413 1.00 0.00 C ATOM 1773 O GLY A 82 16.527 -7.169 -0.933 1.00 0.00 O ATOM 1774 OXT GLY A 82 14.383 -7.641 -0.990 1.00 0.00 O ATOM 0 H GLY A 82 13.313 -7.366 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.890 -5.591 0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.185 -6.630 1.500 1.00 0.00 H new