USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=31 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 63 SER OG : rot 120:sc= 0.0671 USER MOD Set 1.2: A 667 LYS NZ :NH3+ -160:sc= 0.00298 (180deg=0) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -130:sc= 3.14 (180deg=0.693) USER MOD Set 2.2: A 77 TYR OH : rot -130:sc= 2.27 USER MOD Set 2.3: A 666 TYR OH : rot 180:sc= 0.572 USER MOD Set 3.1: A 68 SER OG : rot -141:sc= 0.444 USER MOD Set 3.2: A 70 MET CE :methyl -134:sc= -0.647 (180deg=-2.78) USER MOD Set 4.1: A 50 CYS SG : rot 157:sc= 3.47 USER MOD Set 4.2: A 52 SER OG : rot 85:sc= -1.04! USER MOD Set 4.3: A 53 CYS SG : rot -53:sc= 0.375 USER MOD Set 4.4: A 73 CYS SG : rot -135:sc= -0.439! USER MOD Set 4.5: A 75 ASN : amide:sc= 1.77 K(o=4.1,f=-3!) USER MOD Set 5.1: A 37 TYR OH : rot 90:sc= 1.07 USER MOD Set 5.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 39 MET CE :methyl 144:sc= -0.0516 (180deg=-0.614) USER MOD Set 6.2: A 66 THR OG1 : rot 46:sc= 1.21 USER MOD Set 7.1: A 23 CYS SG : rot 171:sc= 0.739 USER MOD Set 7.2: A 26 CYS SG : rot 53:sc= 2.14 USER MOD Set 7.3: A 44 HIS : no HE2:sc= -5.5! C(o=-3.7!,f=-4.3!) USER MOD Set 7.4: A 47 CYS SG : rot 131:sc= -1.04 USER MOD Single : A 21 LYS NZ :NH3+ -134:sc= 1.22 (180deg=0.0907) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 112:sc= 0.161 USER MOD Single : A 45 SER OG : rot 180:sc= 0.2 USER MOD Single : A 49 LYS NZ :NH3+ -113:sc= 2 (180deg=0.011) USER MOD Single : A 51 SER OG : rot 180:sc= -0.73 USER MOD Single : A 54 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.041) USER MOD Single : A 56 GLN : amide:sc= -0.434 K(o=-0.43,f=-2.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 64 SER OG : rot 86:sc= 1.2 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 665 GLN : amide:sc= -0.607! C(o=-0.61!,f=-0.63!) USER MOD Single : A 668 MET CE :methyl -117:sc= -2.15 (180deg=-3.46!) USER MOD Single : A 671 THR OG1 : rot -57:sc= 0.0163 USER MOD Single : A 675 THR OG1 : rot 173:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 12.922 -0.115 -6.105 1.00 0.00 N ATOM 327 CA LEU A 663 12.015 -1.046 -5.452 1.00 0.00 C ATOM 328 C LEU A 663 10.715 -1.129 -6.244 1.00 0.00 C ATOM 329 O LEU A 663 9.703 -1.634 -5.765 1.00 0.00 O ATOM 330 CB LEU A 663 11.741 -0.600 -4.011 1.00 0.00 C ATOM 331 CG LEU A 663 12.250 -1.549 -2.925 1.00 0.00 C ATOM 332 CD1 LEU A 663 13.740 -1.341 -2.683 1.00 0.00 C ATOM 333 CD2 LEU A 663 11.470 -1.344 -1.638 1.00 0.00 C ATOM 0 HA LEU A 663 12.475 -2.034 -5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 663 12.197 0.378 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 663 10.666 -0.474 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 663 12.099 -2.574 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 663 14.082 -2.026 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 663 14.289 -1.534 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 663 13.917 -0.314 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 663 11.843 -2.026 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 663 11.593 -0.316 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 663 10.413 -1.543 -1.817 1.00 0.00 H new ATOM 345 N SER A 664 10.769 -0.650 -7.480 1.00 0.00 N ATOM 346 CA SER A 664 9.589 -0.541 -8.322 1.00 0.00 C ATOM 347 C SER A 664 9.126 -1.905 -8.837 1.00 0.00 C ATOM 348 O SER A 664 7.961 -2.074 -9.198 1.00 0.00 O ATOM 349 CB SER A 664 9.883 0.398 -9.491 1.00 0.00 C ATOM 350 OG SER A 664 10.865 1.359 -9.130 1.00 0.00 O ATOM 0 H SER A 664 11.629 -0.328 -7.924 1.00 0.00 H new ATOM 0 HA SER A 664 8.778 -0.134 -7.718 1.00 0.00 H new ATOM 0 HB2 SER A 664 10.230 -0.179 -10.349 1.00 0.00 H new ATOM 0 HB3 SER A 664 8.967 0.904 -9.796 1.00 0.00 H new ATOM 0 HG SER A 664 11.041 1.950 -9.892 1.00 0.00 H new ATOM 356 N GLN A 665 10.027 -2.881 -8.855 1.00 0.00 N ATOM 357 CA GLN A 665 9.675 -4.225 -9.309 1.00 0.00 C ATOM 358 C GLN A 665 8.997 -4.998 -8.186 1.00 0.00 C ATOM 359 O GLN A 665 8.312 -5.993 -8.421 1.00 0.00 O ATOM 360 CB GLN A 665 10.917 -4.978 -9.790 1.00 0.00 C ATOM 361 CG GLN A 665 11.289 -4.693 -11.239 1.00 0.00 C ATOM 362 CD GLN A 665 10.081 -4.469 -12.131 1.00 0.00 C ATOM 363 OE1 GLN A 665 9.284 -5.381 -12.361 1.00 0.00 O ATOM 364 NE2 GLN A 665 9.930 -3.253 -12.631 1.00 0.00 N ATOM 0 H GLN A 665 10.998 -2.771 -8.564 1.00 0.00 H new ATOM 0 HA GLN A 665 8.982 -4.133 -10.146 1.00 0.00 H new ATOM 0 HB2 GLN A 665 11.760 -4.715 -9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 665 10.749 -6.049 -9.672 1.00 0.00 H new ATOM 0 HG2 GLN A 665 11.929 -3.812 -11.277 1.00 0.00 H new ATOM 0 HG3 GLN A 665 11.872 -5.528 -11.629 1.00 0.00 H new ATOM 0 HE21 GLN A 665 10.612 -2.525 -12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 665 9.132 -3.044 -13.230 1.00 0.00 H new ATOM 373 N TYR A 666 9.187 -4.524 -6.961 1.00 0.00 N ATOM 374 CA TYR A 666 8.565 -5.135 -5.795 1.00 0.00 C ATOM 375 C TYR A 666 7.213 -4.494 -5.525 1.00 0.00 C ATOM 376 O TYR A 666 6.467 -4.928 -4.645 1.00 0.00 O ATOM 377 CB TYR A 666 9.458 -4.978 -4.565 1.00 0.00 C ATOM 378 CG TYR A 666 10.806 -5.637 -4.707 1.00 0.00 C ATOM 379 CD1 TYR A 666 10.908 -7.003 -4.933 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.976 -4.897 -4.603 1.00 0.00 C ATOM 381 CE1 TYR A 666 12.139 -7.612 -5.052 1.00 0.00 C ATOM 382 CE2 TYR A 666 13.210 -5.499 -4.725 1.00 0.00 C ATOM 383 CZ TYR A 666 13.287 -6.855 -4.947 1.00 0.00 C ATOM 384 OH TYR A 666 14.519 -7.462 -5.056 1.00 0.00 O ATOM 0 H TYR A 666 9.770 -3.714 -6.750 1.00 0.00 H new ATOM 0 HA TYR A 666 8.427 -6.197 -5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.602 -3.916 -4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.947 -5.399 -3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 666 10.010 -7.597 -5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.918 -3.834 -4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 666 12.204 -8.676 -5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 666 14.112 -4.910 -4.647 1.00 0.00 H new ATOM 0 HH TYR A 666 15.225 -6.789 -4.960 1.00 0.00 H new ATOM 394 N LYS A 667 6.906 -3.465 -6.297 1.00 0.00 N ATOM 395 CA LYS A 667 5.674 -2.720 -6.131 1.00 0.00 C ATOM 396 C LYS A 667 4.516 -3.415 -6.836 1.00 0.00 C ATOM 397 O LYS A 667 4.711 -4.174 -7.791 1.00 0.00 O ATOM 398 CB LYS A 667 5.846 -1.306 -6.685 1.00 0.00 C ATOM 399 CG LYS A 667 4.889 -0.285 -6.094 1.00 0.00 C ATOM 400 CD LYS A 667 4.050 0.382 -7.175 1.00 0.00 C ATOM 401 CE LYS A 667 4.643 1.717 -7.595 1.00 0.00 C ATOM 402 NZ LYS A 667 3.593 2.714 -7.933 1.00 0.00 N ATOM 0 H LYS A 667 7.502 -3.126 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 667 5.445 -2.669 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 667 6.869 -0.978 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 667 5.709 -1.332 -7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 667 4.234 -0.773 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 667 5.453 0.473 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 667 3.981 -0.276 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 667 3.035 0.533 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 667 5.266 2.106 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 667 5.293 1.569 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 4.005 3.466 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 2.826 2.246 -8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 3.212 3.128 -7.058 1.00 0.00 H new ATOM 416 N MET A 668 3.316 -3.156 -6.355 1.00 0.00 N ATOM 417 CA MET A 668 2.107 -3.667 -6.977 1.00 0.00 C ATOM 418 C MET A 668 1.256 -2.498 -7.458 1.00 0.00 C ATOM 419 O MET A 668 1.277 -1.426 -6.851 1.00 0.00 O ATOM 420 CB MET A 668 1.330 -4.546 -5.984 1.00 0.00 C ATOM 421 CG MET A 668 0.295 -3.796 -5.153 1.00 0.00 C ATOM 422 SD MET A 668 0.938 -3.252 -3.557 1.00 0.00 S ATOM 423 CE MET A 668 1.474 -4.810 -2.853 1.00 0.00 C ATOM 0 H MET A 668 3.150 -2.587 -5.525 1.00 0.00 H new ATOM 0 HA MET A 668 2.369 -4.286 -7.835 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.828 -5.340 -6.537 1.00 0.00 H new ATOM 0 HB3 MET A 668 2.040 -5.026 -5.310 1.00 0.00 H new ATOM 0 HG2 MET A 668 -0.054 -2.929 -5.713 1.00 0.00 H new ATOM 0 HG3 MET A 668 -0.569 -4.440 -4.991 1.00 0.00 H new ATOM 0 HE1 MET A 668 0.897 -5.020 -1.952 1.00 0.00 H new ATOM 0 HE2 MET A 668 1.319 -5.609 -3.578 1.00 0.00 H new ATOM 0 HE3 MET A 668 2.532 -4.750 -2.600 1.00 0.00 H new ATOM 433 N ASP A 669 0.534 -2.685 -8.555 1.00 0.00 N ATOM 434 CA ASP A 669 -0.316 -1.623 -9.075 1.00 0.00 C ATOM 435 C ASP A 669 -1.578 -1.506 -8.243 1.00 0.00 C ATOM 436 O ASP A 669 -2.426 -2.402 -8.247 1.00 0.00 O ATOM 437 CB ASP A 669 -0.692 -1.854 -10.540 1.00 0.00 C ATOM 438 CG ASP A 669 -1.529 -0.712 -11.087 1.00 0.00 C ATOM 439 OD1 ASP A 669 -1.128 0.461 -10.909 1.00 0.00 O ATOM 440 OD2 ASP A 669 -2.596 -0.974 -11.687 1.00 0.00 O ATOM 0 H ASP A 669 0.519 -3.550 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 669 0.255 -0.696 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.214 -1.961 -11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -1.246 -2.788 -10.631 1.00 0.00 H new ATOM 445 N VAL A 670 -1.687 -0.408 -7.518 1.00 0.00 N ATOM 446 CA VAL A 670 -2.853 -0.151 -6.698 1.00 0.00 C ATOM 447 C VAL A 670 -3.929 0.541 -7.522 1.00 0.00 C ATOM 448 O VAL A 670 -3.893 1.756 -7.719 1.00 0.00 O ATOM 449 CB VAL A 670 -2.513 0.718 -5.467 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.620 0.625 -4.431 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.184 0.298 -4.862 1.00 0.00 C ATOM 0 H VAL A 670 -0.977 0.323 -7.482 1.00 0.00 H new ATOM 0 HA VAL A 670 -3.218 -1.114 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.428 1.755 -5.793 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.365 1.243 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.556 0.977 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -3.734 -0.411 -4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -0.964 0.923 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.239 -0.745 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.394 0.414 -5.604 1.00 0.00 H new ATOM 461 N THR A 671 -4.870 -0.237 -8.025 1.00 0.00 N ATOM 462 CA THR A 671 -5.969 0.315 -8.789 1.00 0.00 C ATOM 463 C THR A 671 -7.105 0.713 -7.854 1.00 0.00 C ATOM 464 O THR A 671 -7.831 -0.139 -7.347 1.00 0.00 O ATOM 465 CB THR A 671 -6.484 -0.700 -9.827 1.00 0.00 C ATOM 466 OG1 THR A 671 -5.393 -1.501 -10.310 1.00 0.00 O ATOM 467 CG2 THR A 671 -7.158 0.005 -10.993 1.00 0.00 C ATOM 0 H THR A 671 -4.894 -1.251 -7.917 1.00 0.00 H new ATOM 0 HA THR A 671 -5.606 1.196 -9.318 1.00 0.00 H new ATOM 0 HB THR A 671 -7.220 -1.340 -9.341 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.704 -0.919 -10.693 1.00 0.00 H new ATOM 0 HG21 THR A 671 -7.512 -0.735 -11.710 1.00 0.00 H new ATOM 0 HG22 THR A 671 -8.003 0.588 -10.626 1.00 0.00 H new ATOM 0 HG23 THR A 671 -6.443 0.669 -11.479 1.00 0.00 H new ATOM 475 N VAL A 672 -7.231 2.007 -7.605 1.00 0.00 N ATOM 476 CA VAL A 672 -8.274 2.516 -6.729 1.00 0.00 C ATOM 477 C VAL A 672 -9.527 2.815 -7.535 1.00 0.00 C ATOM 478 O VAL A 672 -9.520 3.676 -8.418 1.00 0.00 O ATOM 479 CB VAL A 672 -7.822 3.791 -5.983 1.00 0.00 C ATOM 480 CG1 VAL A 672 -8.706 4.042 -4.774 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.358 3.686 -5.567 1.00 0.00 C ATOM 0 H VAL A 672 -6.623 2.725 -7.998 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.486 1.747 -5.986 1.00 0.00 H new ATOM 0 HB VAL A 672 -7.921 4.637 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -8.373 4.944 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -9.739 4.170 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.642 3.193 -4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -6.062 4.595 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.228 2.829 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -5.736 3.559 -6.453 1.00 0.00 H new ATOM 491 N ILE A 673 -10.593 2.093 -7.242 1.00 0.00 N ATOM 492 CA ILE A 673 -11.832 2.223 -7.993 1.00 0.00 C ATOM 493 C ILE A 673 -12.800 3.164 -7.286 1.00 0.00 C ATOM 494 O ILE A 673 -13.064 3.020 -6.092 1.00 0.00 O ATOM 495 CB ILE A 673 -12.512 0.850 -8.210 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.597 -0.079 -9.014 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.852 1.015 -8.919 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.927 -1.140 -8.171 1.00 0.00 C ATOM 0 H ILE A 673 -10.627 1.408 -6.487 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.574 2.639 -8.967 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.694 0.403 -7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.181 -0.563 -9.797 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.831 0.518 -9.510 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.312 0.037 -9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.509 1.640 -8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.695 1.486 -9.889 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.294 -1.762 -8.804 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -10.316 -0.663 -7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.687 -1.761 -7.696 1.00 0.00 H new ATOM 510 N ASP A 674 -13.306 4.143 -8.026 1.00 0.00 N ATOM 511 CA ASP A 674 -14.311 5.058 -7.500 1.00 0.00 C ATOM 512 C ASP A 674 -15.640 4.331 -7.337 1.00 0.00 C ATOM 513 O ASP A 674 -16.364 4.105 -8.310 1.00 0.00 O ATOM 514 CB ASP A 674 -14.471 6.271 -8.427 1.00 0.00 C ATOM 515 CG ASP A 674 -15.681 7.128 -8.092 1.00 0.00 C ATOM 516 OD1 ASP A 674 -15.805 7.570 -6.932 1.00 0.00 O ATOM 517 OD2 ASP A 674 -16.502 7.381 -8.999 1.00 0.00 O ATOM 0 H ASP A 674 -13.036 4.324 -8.993 1.00 0.00 H new ATOM 0 HA ASP A 674 -13.984 5.416 -6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -13.572 6.885 -8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -14.554 5.924 -9.457 1.00 0.00 H new ATOM 522 N THR A 675 -15.940 3.935 -6.110 1.00 0.00 N ATOM 523 CA THR A 675 -17.158 3.205 -5.818 1.00 0.00 C ATOM 524 C THR A 675 -18.370 4.130 -5.755 1.00 0.00 C ATOM 525 O THR A 675 -18.925 4.381 -4.682 1.00 0.00 O ATOM 526 CB THR A 675 -17.031 2.450 -4.491 1.00 0.00 C ATOM 527 OG1 THR A 675 -15.667 2.483 -4.046 1.00 0.00 O ATOM 528 CG2 THR A 675 -17.496 1.010 -4.640 1.00 0.00 C ATOM 0 H THR A 675 -15.350 4.110 -5.297 1.00 0.00 H new ATOM 0 HA THR A 675 -17.306 2.494 -6.631 1.00 0.00 H new ATOM 0 HB THR A 675 -17.666 2.938 -3.751 1.00 0.00 H new ATOM 0 HG1 THR A 675 -15.608 2.105 -3.144 1.00 0.00 H new ATOM 0 HG21 THR A 675 -17.396 0.495 -3.685 1.00 0.00 H new ATOM 0 HG22 THR A 675 -18.540 0.995 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 675 -16.886 0.506 -5.389 1.00 0.00 H new ATOM 806 N TRP A 20 -22.120 -5.996 -2.764 1.00 0.00 N ATOM 807 CA TRP A 20 -20.987 -5.102 -3.014 1.00 0.00 C ATOM 808 C TRP A 20 -19.826 -5.869 -3.644 1.00 0.00 C ATOM 809 O TRP A 20 -19.922 -6.335 -4.782 1.00 0.00 O ATOM 810 CB TRP A 20 -20.543 -4.406 -1.716 1.00 0.00 C ATOM 811 CG TRP A 20 -21.691 -3.941 -0.872 1.00 0.00 C ATOM 812 CD1 TRP A 20 -22.741 -3.169 -1.273 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.908 -4.226 0.515 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.600 -2.964 -0.223 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.111 -3.600 0.884 1.00 0.00 C ATOM 816 CE3 TRP A 20 -21.204 -4.951 1.479 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.629 -3.676 2.172 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.716 -5.027 2.762 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.920 -4.394 3.098 1.00 0.00 C ATOM 0 HA TRP A 20 -21.308 -4.332 -3.716 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.928 -5.093 -1.135 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -19.915 -3.551 -1.966 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -22.876 -2.777 -2.270 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.464 -2.424 -0.262 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -20.276 -5.444 1.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.556 -3.187 2.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -21.179 -5.583 3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.296 -4.474 4.107 1.00 0.00 H new ATOM 830 N LYS A 21 -18.742 -6.012 -2.903 1.00 0.00 N ATOM 831 CA LYS A 21 -17.598 -6.779 -3.364 1.00 0.00 C ATOM 832 C LYS A 21 -16.986 -7.537 -2.199 1.00 0.00 C ATOM 833 O LYS A 21 -16.815 -6.983 -1.115 1.00 0.00 O ATOM 834 CB LYS A 21 -16.556 -5.862 -4.006 1.00 0.00 C ATOM 835 CG LYS A 21 -16.154 -6.289 -5.412 1.00 0.00 C ATOM 836 CD LYS A 21 -17.104 -5.735 -6.463 1.00 0.00 C ATOM 837 CE LYS A 21 -17.568 -6.819 -7.427 1.00 0.00 C ATOM 838 NZ LYS A 21 -18.994 -7.178 -7.209 1.00 0.00 N ATOM 0 H LYS A 21 -18.629 -5.605 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.934 -7.491 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.950 -4.847 -4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.668 -5.837 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.141 -5.946 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.140 -7.377 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.969 -5.289 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.608 -4.940 -7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.432 -6.476 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.947 -7.706 -7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.094 -8.213 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.314 -6.791 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.573 -6.781 -7.976 1.00 0.00 H new ATOM 852 N ARG A 22 -16.678 -8.803 -2.421 1.00 0.00 N ATOM 853 CA ARG A 22 -16.099 -9.640 -1.381 1.00 0.00 C ATOM 854 C ARG A 22 -14.588 -9.408 -1.302 1.00 0.00 C ATOM 855 O ARG A 22 -13.890 -9.443 -2.323 1.00 0.00 O ATOM 856 CB ARG A 22 -16.448 -11.114 -1.654 1.00 0.00 C ATOM 857 CG ARG A 22 -15.293 -12.087 -1.493 1.00 0.00 C ATOM 858 CD ARG A 22 -15.320 -12.765 -0.134 1.00 0.00 C ATOM 859 NE ARG A 22 -13.975 -12.910 0.410 1.00 0.00 N ATOM 860 CZ ARG A 22 -13.210 -13.982 0.227 1.00 0.00 C ATOM 861 NH1 ARG A 22 -13.683 -15.043 -0.420 1.00 0.00 N ATOM 862 NH2 ARG A 22 -11.968 -13.987 0.697 1.00 0.00 N ATOM 0 H ARG A 22 -16.819 -9.276 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.518 -9.373 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.251 -11.412 -0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.835 -11.198 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.340 -12.842 -2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.349 -11.556 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.932 -12.182 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.787 -13.746 -0.223 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.598 -12.142 0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.638 -15.038 -0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.091 -15.862 -0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.608 -13.173 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.375 -14.805 0.561 1.00 0.00 H new ATOM 876 N CYS A 23 -14.092 -9.155 -0.095 1.00 0.00 N ATOM 877 CA CYS A 23 -12.695 -8.808 0.094 1.00 0.00 C ATOM 878 C CYS A 23 -11.883 -9.994 0.610 1.00 0.00 C ATOM 879 O CYS A 23 -12.415 -10.904 1.251 1.00 0.00 O ATOM 880 CB CYS A 23 -12.576 -7.618 1.037 1.00 0.00 C ATOM 881 SG CYS A 23 -13.209 -7.896 2.722 1.00 0.00 S ATOM 0 H CYS A 23 -14.640 -9.185 0.765 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.281 -8.533 -0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.527 -7.331 1.103 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.110 -6.774 0.600 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.888 -6.888 3.478 1.00 0.00 H new ATOM 886 N ALA A 24 -10.589 -9.964 0.330 1.00 0.00 N ATOM 887 CA ALA A 24 -9.711 -11.093 0.606 1.00 0.00 C ATOM 888 C ALA A 24 -9.304 -11.182 2.077 1.00 0.00 C ATOM 889 O ALA A 24 -9.359 -12.260 2.669 1.00 0.00 O ATOM 890 CB ALA A 24 -8.473 -11.023 -0.276 1.00 0.00 C ATOM 0 H ALA A 24 -10.120 -9.163 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.276 -11.997 0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.824 -11.872 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.771 -11.051 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.936 -10.096 -0.076 1.00 0.00 H new ATOM 896 N GLY A 25 -8.911 -10.055 2.661 1.00 0.00 N ATOM 897 CA GLY A 25 -8.352 -10.057 4.007 1.00 0.00 C ATOM 898 C GLY A 25 -9.333 -10.529 5.066 1.00 0.00 C ATOM 899 O GLY A 25 -9.102 -11.550 5.718 1.00 0.00 O ATOM 0 H GLY A 25 -8.969 -9.134 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.471 -10.699 4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.017 -9.050 4.255 1.00 0.00 H new ATOM 903 N CYS A 26 -10.416 -9.781 5.254 1.00 0.00 N ATOM 904 CA CYS A 26 -11.455 -10.171 6.201 1.00 0.00 C ATOM 905 C CYS A 26 -12.096 -11.483 5.770 1.00 0.00 C ATOM 906 O CYS A 26 -12.341 -12.371 6.588 1.00 0.00 O ATOM 907 CB CYS A 26 -12.543 -9.096 6.311 1.00 0.00 C ATOM 908 SG CYS A 26 -11.935 -7.382 6.248 1.00 0.00 S ATOM 0 H CYS A 26 -10.597 -8.904 4.765 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.981 -10.292 7.175 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.260 -9.242 5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -13.083 -9.241 7.247 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.189 -7.225 5.195 1.00 0.00 H new ATOM 913 N GLY A 27 -12.359 -11.593 4.478 1.00 0.00 N ATOM 914 CA GLY A 27 -13.045 -12.752 3.960 1.00 0.00 C ATOM 915 C GLY A 27 -14.538 -12.533 3.923 1.00 0.00 C ATOM 916 O GLY A 27 -15.316 -13.487 3.950 1.00 0.00 O ATOM 0 H GLY A 27 -12.107 -10.896 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.683 -12.974 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.818 -13.619 4.580 1.00 0.00 H new ATOM 920 N GLY A 28 -14.935 -11.268 3.872 1.00 0.00 N ATOM 921 CA GLY A 28 -16.340 -10.928 3.830 1.00 0.00 C ATOM 922 C GLY A 28 -16.651 -10.001 2.680 1.00 0.00 C ATOM 923 O GLY A 28 -16.128 -10.178 1.582 1.00 0.00 O ATOM 0 H GLY A 28 -14.302 -10.468 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.933 -11.838 3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.629 -10.455 4.768 1.00 0.00 H new ATOM 927 N LYS A 29 -17.493 -9.014 2.925 1.00 0.00 N ATOM 928 CA LYS A 29 -17.835 -8.038 1.902 1.00 0.00 C ATOM 929 C LYS A 29 -17.358 -6.659 2.324 1.00 0.00 C ATOM 930 O LYS A 29 -17.457 -6.297 3.500 1.00 0.00 O ATOM 931 CB LYS A 29 -19.346 -8.017 1.652 1.00 0.00 C ATOM 932 CG LYS A 29 -20.018 -9.370 1.824 1.00 0.00 C ATOM 933 CD LYS A 29 -21.478 -9.331 1.405 1.00 0.00 C ATOM 934 CE LYS A 29 -22.312 -8.495 2.364 1.00 0.00 C ATOM 935 NZ LYS A 29 -23.027 -9.335 3.355 1.00 0.00 N ATOM 0 H LYS A 29 -17.954 -8.865 3.823 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.339 -8.322 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.807 -7.304 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -19.532 -7.656 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.489 -10.117 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.947 -9.682 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.558 -8.920 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -21.874 -10.346 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.666 -7.789 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -23.035 -7.907 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.583 -8.726 3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.663 -9.991 2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -22.337 -9.877 3.913 1.00 0.00 H new ATOM 949 N ILE A 30 -16.831 -5.901 1.371 1.00 0.00 N ATOM 950 CA ILE A 30 -16.338 -4.561 1.647 1.00 0.00 C ATOM 951 C ILE A 30 -17.488 -3.637 2.027 1.00 0.00 C ATOM 952 O ILE A 30 -18.294 -3.241 1.183 1.00 0.00 O ATOM 953 CB ILE A 30 -15.584 -3.967 0.431 1.00 0.00 C ATOM 954 CG1 ILE A 30 -14.388 -4.845 0.066 1.00 0.00 C ATOM 955 CG2 ILE A 30 -15.121 -2.544 0.724 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.994 -4.758 -1.391 1.00 0.00 C ATOM 0 H ILE A 30 -16.735 -6.194 0.399 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.640 -4.640 2.481 1.00 0.00 H new ATOM 0 HB ILE A 30 -16.271 -3.939 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.536 -4.557 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.622 -5.882 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.594 -2.147 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.986 -1.917 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.451 -2.549 1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -13.138 -5.408 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.831 -5.074 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.728 -3.730 -1.635 1.00 0.00 H new ATOM 968 N ALA A 31 -17.546 -3.291 3.302 1.00 0.00 N ATOM 969 CA ALA A 31 -18.552 -2.369 3.799 1.00 0.00 C ATOM 970 C ALA A 31 -17.959 -0.980 3.964 1.00 0.00 C ATOM 971 O ALA A 31 -18.526 -0.115 4.633 1.00 0.00 O ATOM 972 CB ALA A 31 -19.138 -2.869 5.113 1.00 0.00 C ATOM 0 H ALA A 31 -16.904 -3.637 4.015 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.361 -2.312 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.889 -2.164 5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.600 -3.844 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.344 -2.958 5.855 1.00 0.00 H new ATOM 978 N ASP A 32 -16.810 -0.774 3.344 1.00 0.00 N ATOM 979 CA ASP A 32 -16.157 0.524 3.366 1.00 0.00 C ATOM 980 C ASP A 32 -16.515 1.302 2.108 1.00 0.00 C ATOM 981 O ASP A 32 -17.369 0.874 1.330 1.00 0.00 O ATOM 982 CB ASP A 32 -14.639 0.365 3.480 1.00 0.00 C ATOM 983 CG ASP A 32 -14.007 1.484 4.283 1.00 0.00 C ATOM 984 OD1 ASP A 32 -13.910 2.611 3.766 1.00 0.00 O ATOM 985 OD2 ASP A 32 -13.614 1.242 5.443 1.00 0.00 O ATOM 0 H ASP A 32 -16.309 -1.490 2.818 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.506 1.076 4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.409 -0.592 3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.201 0.344 2.482 1.00 0.00 H new ATOM 990 N ARG A 33 -15.866 2.437 1.903 1.00 0.00 N ATOM 991 CA ARG A 33 -16.174 3.282 0.762 1.00 0.00 C ATOM 992 C ARG A 33 -15.343 2.891 -0.455 1.00 0.00 C ATOM 993 O ARG A 33 -15.866 2.327 -1.416 1.00 0.00 O ATOM 994 CB ARG A 33 -15.950 4.757 1.100 1.00 0.00 C ATOM 995 CG ARG A 33 -16.680 5.709 0.165 1.00 0.00 C ATOM 996 CD ARG A 33 -16.163 7.134 0.295 1.00 0.00 C ATOM 997 NE ARG A 33 -16.219 7.614 1.674 1.00 0.00 N ATOM 998 CZ ARG A 33 -17.222 8.332 2.183 1.00 0.00 C ATOM 999 NH1 ARG A 33 -18.250 8.692 1.420 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -17.192 8.701 3.455 1.00 0.00 N ATOM 0 H ARG A 33 -15.126 2.793 2.509 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.226 3.135 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.278 4.941 2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -14.882 4.972 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.560 5.371 -0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.747 5.688 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.135 7.180 -0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.753 7.793 -0.342 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.438 7.385 2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -18.276 8.419 0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -19.012 9.241 1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.403 8.436 4.044 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.958 9.250 3.845 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.052 3.172 -0.405 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.194 2.988 -1.567 1.00 0.00 C ATOM 1016 C PHE A 34 -12.402 1.695 -1.472 1.00 0.00 C ATOM 1017 O PHE A 34 -11.733 1.434 -0.471 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.246 4.178 -1.716 1.00 0.00 C ATOM 1019 CG PHE A 34 -12.679 5.149 -2.775 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -13.929 5.751 -2.714 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -11.842 5.457 -3.832 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -14.332 6.640 -3.690 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -12.239 6.346 -4.810 1.00 0.00 C ATOM 1024 CZ PHE A 34 -13.485 6.938 -4.739 1.00 0.00 C ATOM 0 H PHE A 34 -13.575 3.527 0.424 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.832 2.926 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.175 4.699 -0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.248 3.811 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.593 5.521 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.867 4.997 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.307 7.101 -3.633 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.576 6.579 -5.630 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.797 7.634 -5.504 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.506 0.878 -2.507 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.746 -0.357 -2.576 1.00 0.00 C ATOM 1036 C LEU A 35 -10.539 -0.189 -3.492 1.00 0.00 C ATOM 1037 O LEU A 35 -10.575 0.586 -4.454 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.629 -1.518 -3.047 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.146 -1.422 -4.482 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -12.687 -2.626 -5.290 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -14.663 -1.319 -4.490 1.00 0.00 C ATOM 0 H LEU A 35 -13.110 1.049 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.388 -0.594 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.063 -2.444 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.485 -1.593 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.737 -0.522 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.063 -2.544 -6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.598 -2.660 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.071 -3.538 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.018 -1.251 -5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.090 -2.203 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.970 -0.429 -3.941 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.477 -0.917 -3.192 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.244 -0.826 -3.953 1.00 0.00 C ATOM 1055 C LEU A 36 -7.803 -2.203 -4.426 1.00 0.00 C ATOM 1056 O LEU A 36 -8.073 -3.213 -3.773 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.129 -0.187 -3.116 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.582 0.488 -1.818 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.151 -0.334 -0.614 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -7.027 1.900 -1.723 1.00 0.00 C ATOM 0 H LEU A 36 -9.445 -1.583 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.436 -0.196 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.398 -0.957 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.617 0.553 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.670 0.549 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.481 0.159 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.598 -1.326 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.065 -0.425 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.361 2.361 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.938 1.865 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.383 2.489 -2.568 1.00 0.00 H new ATOM 1072 N TYR A 37 -7.139 -2.229 -5.566 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.605 -3.459 -6.128 1.00 0.00 C ATOM 1074 C TYR A 37 -5.178 -3.682 -5.661 1.00 0.00 C ATOM 1075 O TYR A 37 -4.384 -2.745 -5.599 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.621 -3.378 -7.651 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.536 -4.368 -8.318 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.478 -5.718 -8.008 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -8.448 -3.948 -9.271 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -8.309 -6.623 -8.632 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -9.278 -4.843 -9.903 1.00 0.00 C ATOM 1082 CZ TYR A 37 -9.206 -6.180 -9.582 1.00 0.00 C ATOM 1083 OH TYR A 37 -10.024 -7.077 -10.227 1.00 0.00 O ATOM 0 H TYR A 37 -6.954 -1.399 -6.130 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.226 -4.289 -5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.918 -2.372 -7.946 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.607 -3.532 -8.021 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.772 -6.065 -7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.508 -2.899 -9.522 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.258 -7.672 -8.379 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.982 -4.500 -10.647 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.856 -7.184 -9.720 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.862 -4.922 -5.335 1.00 0.00 N ATOM 1094 CA ALA A 38 -3.511 -5.292 -4.963 1.00 0.00 C ATOM 1095 C ALA A 38 -3.264 -6.751 -5.282 1.00 0.00 C ATOM 1096 O ALA A 38 -4.005 -7.626 -4.822 1.00 0.00 O ATOM 1097 CB ALA A 38 -3.263 -5.031 -3.490 1.00 0.00 C ATOM 0 H ALA A 38 -5.529 -5.694 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.819 -4.679 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.242 -5.317 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.406 -3.971 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.963 -5.617 -2.894 1.00 0.00 H new ATOM 1103 N MET A 39 -2.251 -6.992 -6.111 1.00 0.00 N ATOM 1104 CA MET A 39 -1.821 -8.339 -6.485 1.00 0.00 C ATOM 1105 C MET A 39 -2.818 -8.995 -7.434 1.00 0.00 C ATOM 1106 O MET A 39 -2.496 -9.261 -8.593 1.00 0.00 O ATOM 1107 CB MET A 39 -1.610 -9.225 -5.248 1.00 0.00 C ATOM 1108 CG MET A 39 -0.230 -9.095 -4.623 1.00 0.00 C ATOM 1109 SD MET A 39 -0.190 -7.899 -3.274 1.00 0.00 S ATOM 1110 CE MET A 39 0.842 -8.761 -2.091 1.00 0.00 C ATOM 0 H MET A 39 -1.700 -6.252 -6.546 1.00 0.00 H new ATOM 0 HA MET A 39 -0.867 -8.238 -7.002 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.362 -8.972 -4.500 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.775 -10.266 -5.527 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.089 -10.068 -4.250 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.485 -8.797 -5.389 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.470 -8.042 -1.564 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.212 -9.287 -1.374 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.473 -9.479 -2.614 1.00 0.00 H new ATOM 1120 N ASP A 40 -4.032 -9.228 -6.949 1.00 0.00 N ATOM 1121 CA ASP A 40 -5.023 -9.985 -7.700 1.00 0.00 C ATOM 1122 C ASP A 40 -6.428 -9.814 -7.110 1.00 0.00 C ATOM 1123 O ASP A 40 -7.429 -10.046 -7.791 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.620 -11.467 -7.699 1.00 0.00 C ATOM 1125 CG ASP A 40 -5.666 -12.377 -8.306 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -5.926 -12.267 -9.524 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -6.220 -13.223 -7.570 1.00 0.00 O ATOM 0 H ASP A 40 -4.353 -8.902 -6.037 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.054 -9.607 -8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.686 -11.582 -8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.426 -11.782 -6.674 1.00 0.00 H new ATOM 1132 N SER A 41 -6.511 -9.376 -5.861 1.00 0.00 N ATOM 1133 CA SER A 41 -7.786 -9.359 -5.156 1.00 0.00 C ATOM 1134 C SER A 41 -8.272 -7.935 -4.902 1.00 0.00 C ATOM 1135 O SER A 41 -7.542 -6.965 -5.124 1.00 0.00 O ATOM 1136 CB SER A 41 -7.643 -10.109 -3.833 1.00 0.00 C ATOM 1137 OG SER A 41 -6.392 -10.776 -3.767 1.00 0.00 O ATOM 0 H SER A 41 -5.719 -9.031 -5.319 1.00 0.00 H new ATOM 0 HA SER A 41 -8.529 -9.851 -5.783 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.732 -9.410 -3.001 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.452 -10.832 -3.730 1.00 0.00 H new ATOM 0 HG SER A 41 -5.832 -10.355 -3.082 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.513 -7.821 -4.441 1.00 0.00 N ATOM 1144 CA TYR A 42 -10.081 -6.535 -4.063 1.00 0.00 C ATOM 1145 C TYR A 42 -9.910 -6.325 -2.565 1.00 0.00 C ATOM 1146 O TYR A 42 -10.279 -7.190 -1.768 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.574 -6.459 -4.407 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.941 -6.890 -5.811 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.983 -5.974 -6.857 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.281 -8.209 -6.082 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -12.345 -6.366 -8.129 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.647 -8.607 -7.352 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.678 -7.682 -8.372 1.00 0.00 C ATOM 1154 OH TYR A 42 -13.047 -8.075 -9.639 1.00 0.00 O ATOM 0 H TYR A 42 -10.147 -8.611 -4.320 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.556 -5.759 -4.621 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -12.124 -7.079 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.911 -5.433 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.729 -4.941 -6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.259 -8.937 -5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -12.368 -5.644 -8.932 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.907 -9.637 -7.545 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.248 -9.034 -9.638 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.335 -5.198 -2.183 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.176 -4.876 -0.770 1.00 0.00 C ATOM 1166 C TRP A 43 -9.719 -3.486 -0.465 1.00 0.00 C ATOM 1167 O TRP A 43 -10.084 -2.734 -1.363 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.706 -4.953 -0.315 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.861 -5.967 -1.024 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.477 -5.968 -2.331 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.268 -7.116 -0.435 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.698 -7.070 -2.592 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.554 -7.789 -1.439 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.284 -7.637 0.849 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.853 -8.966 -1.193 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.592 -8.807 1.100 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.885 -9.463 0.080 1.00 0.00 C ATOM 0 H TRP A 43 -8.972 -4.493 -2.824 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.745 -5.624 -0.218 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.251 -3.971 -0.447 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.686 -5.172 0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.745 -5.214 -3.056 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.294 -7.311 -3.497 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.827 -7.138 1.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.305 -9.467 -1.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.595 -9.223 2.097 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.356 -10.377 0.305 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.782 -3.165 0.814 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.161 -1.835 1.282 1.00 0.00 C ATOM 1190 C HIS A 44 -9.133 -1.386 2.314 1.00 0.00 C ATOM 1191 O HIS A 44 -8.133 -2.075 2.518 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.587 -1.811 1.887 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.863 -2.936 2.841 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.310 -2.779 4.146 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.654 -4.257 2.677 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.340 -4.004 4.713 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.945 -4.907 3.848 1.00 0.00 N ATOM 0 H HIS A 44 -9.571 -3.821 1.566 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.176 -1.152 0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.735 -0.864 2.406 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.315 -1.848 1.077 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.568 -1.900 4.594 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.312 -4.728 1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.644 -4.210 5.729 1.00 0.00 H new ATOM 1205 N SER A 45 -9.391 -0.264 2.970 1.00 0.00 N ATOM 1206 CA SER A 45 -8.440 0.337 3.903 1.00 0.00 C ATOM 1207 C SER A 45 -7.957 -0.643 4.982 1.00 0.00 C ATOM 1208 O SER A 45 -6.759 -0.723 5.258 1.00 0.00 O ATOM 1209 CB SER A 45 -9.093 1.556 4.547 1.00 0.00 C ATOM 1210 OG SER A 45 -10.342 1.831 3.931 1.00 0.00 O ATOM 0 H SER A 45 -10.263 0.257 2.873 1.00 0.00 H new ATOM 0 HA SER A 45 -7.554 0.627 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.237 1.379 5.613 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.436 2.421 4.453 1.00 0.00 H new ATOM 0 HG SER A 45 -10.751 2.614 4.355 1.00 0.00 H new ATOM 1216 N ARG A 46 -8.882 -1.390 5.582 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.529 -2.288 6.680 1.00 0.00 C ATOM 1218 C ARG A 46 -8.143 -3.686 6.183 1.00 0.00 C ATOM 1219 O ARG A 46 -7.693 -4.527 6.963 1.00 0.00 O ATOM 1220 CB ARG A 46 -9.670 -2.360 7.712 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.551 -3.596 7.602 1.00 0.00 C ATOM 1222 CD ARG A 46 -10.462 -4.461 8.851 1.00 0.00 C ATOM 1223 NE ARG A 46 -11.023 -5.790 8.629 1.00 0.00 N ATOM 1224 CZ ARG A 46 -11.310 -6.658 9.596 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -11.093 -6.353 10.871 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -11.823 -7.836 9.277 1.00 0.00 N ATOM 0 H ARG A 46 -9.870 -1.392 5.330 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.648 -1.873 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.239 -2.326 8.713 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.296 -1.474 7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.586 -3.293 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.252 -4.180 6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.420 -4.552 9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.993 -3.974 9.669 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.208 -6.073 7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.702 -5.444 11.119 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.318 -7.028 11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.994 -8.070 8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.047 -8.510 10.009 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.314 -3.941 4.891 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.907 -5.218 4.321 1.00 0.00 C ATOM 1242 C CYS A 47 -6.472 -5.130 3.833 1.00 0.00 C ATOM 1243 O CYS A 47 -5.604 -5.888 4.273 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.817 -5.618 3.163 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.615 -7.243 3.369 1.00 0.00 S ATOM 0 H CYS A 47 -8.727 -3.288 4.225 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.985 -5.978 5.099 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.590 -4.859 3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.233 -5.626 2.243 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.888 -7.135 3.130 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.234 -4.191 2.934 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.911 -3.972 2.390 1.00 0.00 C ATOM 1252 C LEU A 48 -4.046 -3.264 3.417 1.00 0.00 C ATOM 1253 O LEU A 48 -4.087 -2.043 3.535 1.00 0.00 O ATOM 1254 CB LEU A 48 -4.991 -3.143 1.106 1.00 0.00 C ATOM 1255 CG LEU A 48 -3.709 -3.105 0.271 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.210 -4.514 -0.009 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.941 -2.350 -1.028 1.00 0.00 C ATOM 0 H LEU A 48 -6.949 -3.564 2.564 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.464 -4.937 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.796 -3.539 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.264 -2.121 1.369 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.943 -2.579 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.298 -4.465 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.002 -5.020 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.972 -5.067 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.019 -2.333 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.723 -2.847 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.248 -1.328 -0.805 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.314 -4.041 4.196 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.398 -3.490 5.182 1.00 0.00 C ATOM 1271 C LYS A 49 -1.167 -4.364 5.293 1.00 0.00 C ATOM 1272 O LYS A 49 -1.150 -5.496 4.805 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.060 -3.367 6.564 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.276 -4.260 6.759 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.920 -5.512 7.545 1.00 0.00 C ATOM 1276 CE LYS A 49 -5.161 -6.242 8.032 1.00 0.00 C ATOM 1277 NZ LYS A 49 -6.009 -6.708 6.904 1.00 0.00 N ATOM 0 H LYS A 49 -3.336 -5.060 4.165 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.116 -2.492 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.322 -3.606 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.357 -2.330 6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.055 -3.708 7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.683 -4.541 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.328 -6.179 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.299 -5.241 8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.864 -7.097 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.743 -5.581 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.909 -6.186 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.514 -6.539 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.199 -7.725 7.009 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.152 -3.828 5.944 1.00 0.00 N ATOM 1292 CA CYS A 50 1.078 -4.546 6.194 1.00 0.00 C ATOM 1293 C CYS A 50 0.817 -5.698 7.153 1.00 0.00 C ATOM 1294 O CYS A 50 0.236 -5.507 8.223 1.00 0.00 O ATOM 1295 CB CYS A 50 2.096 -3.569 6.774 1.00 0.00 C ATOM 1296 SG CYS A 50 3.672 -4.284 7.333 1.00 0.00 S ATOM 0 H CYS A 50 -0.160 -2.878 6.315 1.00 0.00 H new ATOM 0 HA CYS A 50 1.470 -4.966 5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.312 -2.812 6.020 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.635 -3.055 7.618 1.00 0.00 H new ATOM 0 HG CYS A 50 4.592 -3.365 7.327 1.00 0.00 H new ATOM 1301 N SER A 51 1.239 -6.891 6.769 1.00 0.00 N ATOM 1302 CA SER A 51 1.018 -8.070 7.593 1.00 0.00 C ATOM 1303 C SER A 51 2.035 -8.139 8.730 1.00 0.00 C ATOM 1304 O SER A 51 2.022 -9.071 9.532 1.00 0.00 O ATOM 1305 CB SER A 51 1.094 -9.340 6.741 1.00 0.00 C ATOM 1306 OG SER A 51 1.001 -9.035 5.360 1.00 0.00 O ATOM 0 H SER A 51 1.735 -7.070 5.896 1.00 0.00 H new ATOM 0 HA SER A 51 0.021 -7.996 8.027 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.032 -9.859 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.288 -10.019 7.022 1.00 0.00 H new ATOM 0 HG SER A 51 1.054 -9.863 4.838 1.00 0.00 H new ATOM 1312 N SER A 52 2.911 -7.146 8.798 1.00 0.00 N ATOM 1313 CA SER A 52 3.949 -7.130 9.810 1.00 0.00 C ATOM 1314 C SER A 52 3.612 -6.172 10.954 1.00 0.00 C ATOM 1315 O SER A 52 3.635 -6.567 12.121 1.00 0.00 O ATOM 1316 CB SER A 52 5.285 -6.760 9.169 1.00 0.00 C ATOM 1317 OG SER A 52 5.171 -6.715 7.754 1.00 0.00 O ATOM 0 H SER A 52 2.921 -6.346 8.166 1.00 0.00 H new ATOM 0 HA SER A 52 4.021 -8.129 10.241 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.617 -5.791 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.044 -7.488 9.454 1.00 0.00 H new ATOM 0 HG SER A 52 4.843 -5.833 7.480 1.00 0.00 H new ATOM 1323 N CYS A 53 3.274 -4.922 10.635 1.00 0.00 N ATOM 1324 CA CYS A 53 2.986 -3.942 11.680 1.00 0.00 C ATOM 1325 C CYS A 53 1.504 -3.575 11.706 1.00 0.00 C ATOM 1326 O CYS A 53 1.057 -2.846 12.595 1.00 0.00 O ATOM 1327 CB CYS A 53 3.846 -2.686 11.505 1.00 0.00 C ATOM 1328 SG CYS A 53 3.465 -1.706 10.019 1.00 0.00 S ATOM 0 H CYS A 53 3.194 -4.570 9.681 1.00 0.00 H new ATOM 0 HA CYS A 53 3.236 -4.401 12.637 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.723 -2.052 12.383 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.895 -2.982 11.470 1.00 0.00 H new ATOM 0 HG CYS A 53 3.499 -2.475 8.972 1.00 0.00 H new ATOM 1333 N GLN A 54 0.758 -4.082 10.724 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.687 -3.890 10.642 1.00 0.00 C ATOM 1335 C GLN A 54 -1.047 -2.468 10.233 1.00 0.00 C ATOM 1336 O GLN A 54 -2.196 -2.046 10.385 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.370 -4.251 11.963 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.058 -5.601 11.932 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.553 -5.486 11.721 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.319 -6.344 12.156 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -3.978 -4.426 11.053 1.00 0.00 N ATOM 0 H GLN A 54 1.142 -4.639 9.961 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.052 -4.564 9.867 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.627 -4.248 12.761 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.104 -3.482 12.207 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.627 -6.206 11.134 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.866 -6.125 12.869 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.308 -3.738 10.709 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.975 -4.297 10.882 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.071 -1.736 9.709 1.00 0.00 N ATOM 1351 CA ALA A 55 -0.318 -0.398 9.196 1.00 0.00 C ATOM 1352 C ALA A 55 -1.252 -0.469 8.001 1.00 0.00 C ATOM 1353 O ALA A 55 -0.966 -1.171 7.032 1.00 0.00 O ATOM 1354 CB ALA A 55 0.985 0.282 8.808 1.00 0.00 C ATOM 0 H ALA A 55 0.897 -2.048 9.629 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.787 0.194 9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.775 1.281 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.631 0.356 9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.485 -0.303 8.036 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.377 0.229 8.092 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.356 0.245 7.015 1.00 0.00 C ATOM 1362 C GLN A 56 -2.740 0.831 5.750 1.00 0.00 C ATOM 1363 O GLN A 56 -2.292 1.979 5.742 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.590 1.046 7.431 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.005 0.816 8.879 1.00 0.00 C ATOM 1366 CD GLN A 56 -5.724 -0.506 9.087 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -6.933 -0.607 8.890 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -4.986 -1.528 9.498 1.00 0.00 N ATOM 0 H GLN A 56 -2.633 0.792 8.903 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.664 -0.780 6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.391 2.107 7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.421 0.783 6.777 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.120 0.846 9.514 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.654 1.631 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.985 -1.405 9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.419 -2.437 9.661 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.727 0.045 4.683 1.00 0.00 N ATOM 1378 CA LEU A 57 -2.063 0.436 3.446 1.00 0.00 C ATOM 1379 C LEU A 57 -3.040 1.122 2.497 1.00 0.00 C ATOM 1380 O LEU A 57 -2.762 1.296 1.310 1.00 0.00 O ATOM 1381 CB LEU A 57 -1.446 -0.794 2.772 1.00 0.00 C ATOM 1382 CG LEU A 57 0.058 -0.989 2.979 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.520 -0.421 4.312 1.00 0.00 C ATOM 1384 CD2 LEU A 57 0.422 -2.462 2.876 1.00 0.00 C ATOM 0 H LEU A 57 -3.171 -0.873 4.649 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.272 1.145 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.961 -1.682 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.640 -0.733 1.701 1.00 0.00 H new ATOM 0 HG LEU A 57 0.573 -0.441 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.593 -0.579 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.305 0.647 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.006 -0.924 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.495 -2.583 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.116 -3.024 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.149 -2.836 1.889 1.00 0.00 H new ATOM 1396 N GLY A 58 -4.189 1.505 3.025 1.00 0.00 N ATOM 1397 CA GLY A 58 -5.148 2.239 2.235 1.00 0.00 C ATOM 1398 C GLY A 58 -4.879 3.730 2.265 1.00 0.00 C ATOM 1399 O GLY A 58 -4.812 4.380 1.222 1.00 0.00 O ATOM 0 H GLY A 58 -4.474 1.320 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.117 1.885 1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.153 2.043 2.609 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.703 4.264 3.465 1.00 0.00 N ATOM 1404 CA ASP A 59 -4.501 5.698 3.652 1.00 0.00 C ATOM 1405 C ASP A 59 -3.027 6.023 3.859 1.00 0.00 C ATOM 1406 O ASP A 59 -2.610 6.385 4.960 1.00 0.00 O ATOM 1407 CB ASP A 59 -5.312 6.189 4.854 1.00 0.00 C ATOM 1408 CG ASP A 59 -6.068 7.469 4.570 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -5.562 8.317 3.805 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -7.177 7.639 5.117 1.00 0.00 O ATOM 0 H ASP A 59 -4.696 3.724 4.330 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.841 6.207 2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.018 5.414 5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.641 6.349 5.698 1.00 0.00 H new ATOM 1415 N ILE A 60 -2.236 5.895 2.805 1.00 0.00 N ATOM 1416 CA ILE A 60 -0.803 6.147 2.908 1.00 0.00 C ATOM 1417 C ILE A 60 -0.339 7.186 1.892 1.00 0.00 C ATOM 1418 O ILE A 60 -0.543 8.385 2.074 1.00 0.00 O ATOM 1419 CB ILE A 60 0.024 4.848 2.731 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -0.815 3.751 2.069 1.00 0.00 C ATOM 1421 CG2 ILE A 60 0.555 4.371 4.073 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.418 3.455 0.636 1.00 0.00 C ATOM 0 H ILE A 60 -2.556 5.621 1.876 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.632 6.536 3.912 1.00 0.00 H new ATOM 0 HB ILE A 60 0.869 5.070 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.728 2.837 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.864 4.046 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.133 3.458 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.193 5.141 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.280 4.171 4.744 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.057 2.668 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.532 4.356 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.621 3.128 0.607 1.00 0.00 H new ATOM 1434 N GLY A 61 0.287 6.711 0.833 1.00 0.00 N ATOM 1435 CA GLY A 61 0.841 7.588 -0.179 1.00 0.00 C ATOM 1436 C GLY A 61 1.931 6.892 -0.962 1.00 0.00 C ATOM 1437 O GLY A 61 1.911 6.864 -2.193 1.00 0.00 O ATOM 0 H GLY A 61 0.425 5.717 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.051 7.911 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.243 8.485 0.292 1.00 0.00 H new ATOM 1441 N THR A 62 2.881 6.322 -0.235 1.00 0.00 N ATOM 1442 CA THR A 62 3.897 5.472 -0.832 1.00 0.00 C ATOM 1443 C THR A 62 3.353 4.056 -0.981 1.00 0.00 C ATOM 1444 O THR A 62 2.765 3.516 -0.042 1.00 0.00 O ATOM 1445 CB THR A 62 5.174 5.446 0.031 1.00 0.00 C ATOM 1446 OG1 THR A 62 5.139 6.525 0.979 1.00 0.00 O ATOM 1447 CG2 THR A 62 6.416 5.565 -0.840 1.00 0.00 C ATOM 0 H THR A 62 2.968 6.435 0.775 1.00 0.00 H new ATOM 0 HA THR A 62 4.152 5.877 -1.811 1.00 0.00 H new ATOM 0 HB THR A 62 5.215 4.495 0.562 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.951 6.505 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.305 5.544 -0.210 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.449 4.732 -1.542 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.384 6.504 -1.393 1.00 0.00 H new ATOM 1455 N SER A 63 3.529 3.470 -2.158 1.00 0.00 N ATOM 1456 CA SER A 63 2.963 2.162 -2.457 1.00 0.00 C ATOM 1457 C SER A 63 3.592 1.054 -1.616 1.00 0.00 C ATOM 1458 O SER A 63 4.731 1.168 -1.155 1.00 0.00 O ATOM 1459 CB SER A 63 3.154 1.858 -3.939 1.00 0.00 C ATOM 1460 OG SER A 63 3.302 3.055 -4.686 1.00 0.00 O ATOM 0 H SER A 63 4.062 3.882 -2.924 1.00 0.00 H new ATOM 0 HA SER A 63 1.902 2.193 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.034 1.229 -4.075 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.298 1.295 -4.312 1.00 0.00 H new ATOM 0 HG SER A 63 4.172 3.054 -5.136 1.00 0.00 H new ATOM 1466 N SER A 64 2.830 -0.013 -1.415 1.00 0.00 N ATOM 1467 CA SER A 64 3.303 -1.176 -0.693 1.00 0.00 C ATOM 1468 C SER A 64 4.186 -2.039 -1.588 1.00 0.00 C ATOM 1469 O SER A 64 4.136 -1.933 -2.818 1.00 0.00 O ATOM 1470 CB SER A 64 2.103 -1.983 -0.206 1.00 0.00 C ATOM 1471 OG SER A 64 0.907 -1.524 -0.822 1.00 0.00 O ATOM 0 H SER A 64 1.869 -0.092 -1.749 1.00 0.00 H new ATOM 0 HA SER A 64 3.898 -0.851 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.252 -3.039 -0.432 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.016 -1.898 0.877 1.00 0.00 H new ATOM 0 HG SER A 64 0.789 -1.976 -1.684 1.00 0.00 H new ATOM 1477 N TYR A 65 4.987 -2.891 -0.972 1.00 0.00 N ATOM 1478 CA TYR A 65 5.875 -3.770 -1.715 1.00 0.00 C ATOM 1479 C TYR A 65 5.671 -5.215 -1.280 1.00 0.00 C ATOM 1480 O TYR A 65 5.137 -5.478 -0.200 1.00 0.00 O ATOM 1481 CB TYR A 65 7.337 -3.358 -1.499 1.00 0.00 C ATOM 1482 CG TYR A 65 7.615 -1.897 -1.791 1.00 0.00 C ATOM 1483 CD1 TYR A 65 7.679 -1.431 -3.097 1.00 0.00 C ATOM 1484 CD2 TYR A 65 7.815 -0.985 -0.759 1.00 0.00 C ATOM 1485 CE1 TYR A 65 7.934 -0.100 -3.369 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.069 0.349 -1.023 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.128 0.785 -2.328 1.00 0.00 C ATOM 1488 OH TYR A 65 8.391 2.110 -2.597 1.00 0.00 O ATOM 0 H TYR A 65 5.041 -2.993 0.041 1.00 0.00 H new ATOM 0 HA TYR A 65 5.640 -3.684 -2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.615 -3.571 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.975 -3.973 -2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.527 -2.120 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.771 -1.324 0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.981 0.246 -4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.220 1.044 -0.211 1.00 0.00 H new ATOM 0 HH TYR A 65 8.501 2.599 -1.755 1.00 0.00 H new ATOM 1498 N THR A 66 6.079 -6.150 -2.125 1.00 0.00 N ATOM 1499 CA THR A 66 5.974 -7.558 -1.799 1.00 0.00 C ATOM 1500 C THR A 66 7.154 -8.340 -2.366 1.00 0.00 C ATOM 1501 O THR A 66 7.821 -7.896 -3.304 1.00 0.00 O ATOM 1502 CB THR A 66 4.646 -8.159 -2.305 1.00 0.00 C ATOM 1503 OG1 THR A 66 4.362 -9.375 -1.603 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.682 -8.422 -3.805 1.00 0.00 C ATOM 0 H THR A 66 6.485 -5.956 -3.040 1.00 0.00 H new ATOM 0 HA THR A 66 5.991 -7.640 -0.712 1.00 0.00 H new ATOM 0 HB THR A 66 3.857 -7.432 -2.113 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.504 -9.239 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.729 -8.845 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.858 -7.486 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.484 -9.124 -4.032 1.00 0.00 H new ATOM 1512 N LYS A 67 7.401 -9.503 -1.782 1.00 0.00 N ATOM 1513 CA LYS A 67 8.508 -10.355 -2.178 1.00 0.00 C ATOM 1514 C LYS A 67 8.310 -11.755 -1.611 1.00 0.00 C ATOM 1515 O LYS A 67 8.528 -12.753 -2.291 1.00 0.00 O ATOM 1516 CB LYS A 67 9.829 -9.767 -1.678 1.00 0.00 C ATOM 1517 CG LYS A 67 11.042 -10.223 -2.469 1.00 0.00 C ATOM 1518 CD LYS A 67 12.282 -10.306 -1.588 1.00 0.00 C ATOM 1519 CE LYS A 67 13.559 -10.221 -2.408 1.00 0.00 C ATOM 1520 NZ LYS A 67 14.062 -8.825 -2.525 1.00 0.00 N ATOM 0 H LYS A 67 6.838 -9.881 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 67 8.540 -10.413 -3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.769 -8.679 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.965 -10.041 -0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.843 -11.199 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.224 -9.530 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.264 -9.498 -0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.270 -11.242 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.326 -10.844 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.376 -10.624 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.257 -8.609 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.344 -8.166 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.937 -8.724 -1.972 1.00 0.00 H new ATOM 1534 N SER A 68 7.881 -11.813 -0.355 1.00 0.00 N ATOM 1535 CA SER A 68 7.634 -13.076 0.324 1.00 0.00 C ATOM 1536 C SER A 68 6.174 -13.507 0.179 1.00 0.00 C ATOM 1537 O SER A 68 5.680 -14.339 0.943 1.00 0.00 O ATOM 1538 CB SER A 68 7.991 -12.921 1.800 1.00 0.00 C ATOM 1539 OG SER A 68 8.206 -11.552 2.117 1.00 0.00 O ATOM 0 H SER A 68 7.696 -10.989 0.217 1.00 0.00 H new ATOM 0 HA SER A 68 8.253 -13.849 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.188 -13.322 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.887 -13.498 2.026 1.00 0.00 H new ATOM 0 HG SER A 68 8.957 -11.475 2.742 1.00 0.00 H new ATOM 1545 N GLY A 69 5.486 -12.937 -0.803 1.00 0.00 N ATOM 1546 CA GLY A 69 4.082 -13.238 -1.001 1.00 0.00 C ATOM 1547 C GLY A 69 3.211 -12.659 0.097 1.00 0.00 C ATOM 1548 O GLY A 69 2.115 -13.151 0.367 1.00 0.00 O ATOM 0 H GLY A 69 5.878 -12.270 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.760 -12.843 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.946 -14.319 -1.038 1.00 0.00 H new ATOM 1552 N MET A 70 3.710 -11.616 0.747 1.00 0.00 N ATOM 1553 CA MET A 70 2.974 -10.940 1.806 1.00 0.00 C ATOM 1554 C MET A 70 2.992 -9.441 1.558 1.00 0.00 C ATOM 1555 O MET A 70 3.961 -8.916 1.005 1.00 0.00 O ATOM 1556 CB MET A 70 3.589 -11.240 3.179 1.00 0.00 C ATOM 1557 CG MET A 70 3.863 -12.714 3.434 1.00 0.00 C ATOM 1558 SD MET A 70 4.610 -13.012 5.051 1.00 0.00 S ATOM 1559 CE MET A 70 6.105 -12.033 4.921 1.00 0.00 C ATOM 0 H MET A 70 4.629 -11.217 0.557 1.00 0.00 H new ATOM 0 HA MET A 70 1.947 -11.305 1.801 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.524 -10.687 3.274 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.918 -10.868 3.954 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.929 -13.271 3.361 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.524 -13.097 2.656 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.953 -12.615 5.282 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.270 -11.758 3.879 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.002 -11.130 5.523 1.00 0.00 H new ATOM 1569 N ILE A 71 1.929 -8.757 1.948 1.00 0.00 N ATOM 1570 CA ILE A 71 1.858 -7.310 1.796 1.00 0.00 C ATOM 1571 C ILE A 71 2.571 -6.634 2.952 1.00 0.00 C ATOM 1572 O ILE A 71 2.136 -6.726 4.101 1.00 0.00 O ATOM 1573 CB ILE A 71 0.406 -6.788 1.731 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.588 -7.940 1.595 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.250 -5.814 0.575 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.171 -8.385 2.916 1.00 0.00 C ATOM 0 H ILE A 71 1.103 -9.179 2.372 1.00 0.00 H new ATOM 0 HA ILE A 71 2.342 -7.069 0.850 1.00 0.00 H new ATOM 0 HB ILE A 71 0.190 -6.267 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.398 -7.635 0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.090 -8.786 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.778 -5.453 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.926 -4.971 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.490 -6.319 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.869 -9.205 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.369 -8.720 3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.697 -7.551 3.381 1.00 0.00 H new ATOM 1588 N LEU A 72 3.670 -5.972 2.645 1.00 0.00 N ATOM 1589 CA LEU A 72 4.486 -5.337 3.662 1.00 0.00 C ATOM 1590 C LEU A 72 4.626 -3.852 3.369 1.00 0.00 C ATOM 1591 O LEU A 72 4.680 -3.445 2.203 1.00 0.00 O ATOM 1592 CB LEU A 72 5.865 -6.001 3.721 1.00 0.00 C ATOM 1593 CG LEU A 72 6.031 -7.053 4.819 1.00 0.00 C ATOM 1594 CD1 LEU A 72 5.281 -8.331 4.478 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.501 -7.351 5.043 1.00 0.00 C ATOM 0 H LEU A 72 4.020 -5.860 1.693 1.00 0.00 H new ATOM 0 HA LEU A 72 4.000 -5.456 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.068 -6.469 2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.618 -5.226 3.864 1.00 0.00 H new ATOM 0 HG LEU A 72 5.606 -6.649 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.419 -9.058 5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.219 -8.111 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.666 -8.741 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.605 -8.101 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.941 -7.728 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.016 -6.438 5.344 1.00 0.00 H new ATOM 1607 N CYS A 73 4.665 -3.039 4.417 1.00 0.00 N ATOM 1608 CA CYS A 73 4.816 -1.606 4.246 1.00 0.00 C ATOM 1609 C CYS A 73 6.243 -1.250 3.847 1.00 0.00 C ATOM 1610 O CYS A 73 7.166 -2.061 3.977 1.00 0.00 O ATOM 1611 CB CYS A 73 4.412 -0.852 5.520 1.00 0.00 C ATOM 1612 SG CYS A 73 5.585 -0.996 6.911 1.00 0.00 S ATOM 0 H CYS A 73 4.594 -3.348 5.387 1.00 0.00 H new ATOM 0 HA CYS A 73 4.149 -1.298 3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.290 0.203 5.276 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.439 -1.218 5.847 1.00 0.00 H new ATOM 0 HG CYS A 73 4.930 -1.237 8.008 1.00 0.00 H new ATOM 1617 N ARG A 74 6.403 -0.025 3.362 1.00 0.00 N ATOM 1618 CA ARG A 74 7.702 0.507 2.959 1.00 0.00 C ATOM 1619 C ARG A 74 8.753 0.315 4.051 1.00 0.00 C ATOM 1620 O ARG A 74 9.869 -0.122 3.776 1.00 0.00 O ATOM 1621 CB ARG A 74 7.578 1.999 2.619 1.00 0.00 C ATOM 1622 CG ARG A 74 6.259 2.632 3.057 1.00 0.00 C ATOM 1623 CD ARG A 74 6.340 3.172 4.479 1.00 0.00 C ATOM 1624 NE ARG A 74 5.662 2.299 5.444 1.00 0.00 N ATOM 1625 CZ ARG A 74 5.222 2.702 6.641 1.00 0.00 C ATOM 1626 NH1 ARG A 74 5.393 3.958 7.029 1.00 0.00 N ATOM 1627 NH2 ARG A 74 4.621 1.833 7.451 1.00 0.00 N ATOM 0 H ARG A 74 5.633 0.632 3.236 1.00 0.00 H new ATOM 0 HA ARG A 74 8.026 -0.046 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.401 2.537 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.689 2.125 1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.999 3.441 2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.461 1.892 2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.386 3.283 4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.893 4.166 4.514 1.00 0.00 H new ATOM 0 HE ARG A 74 5.517 1.323 5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.862 4.623 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.055 4.260 7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.498 0.864 7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.284 2.136 8.365 1.00 0.00 H new ATOM 1641 N ASN A 75 8.382 0.618 5.287 1.00 0.00 N ATOM 1642 CA ASN A 75 9.322 0.578 6.400 1.00 0.00 C ATOM 1643 C ASN A 75 9.649 -0.859 6.792 1.00 0.00 C ATOM 1644 O ASN A 75 10.772 -1.160 7.199 1.00 0.00 O ATOM 1645 CB ASN A 75 8.757 1.367 7.596 1.00 0.00 C ATOM 1646 CG ASN A 75 8.629 0.554 8.878 1.00 0.00 C ATOM 1647 OD1 ASN A 75 9.590 0.400 9.635 1.00 0.00 O ATOM 1648 ND2 ASN A 75 7.440 0.025 9.130 1.00 0.00 N ATOM 0 H ASN A 75 7.435 0.895 5.545 1.00 0.00 H new ATOM 0 HA ASN A 75 10.253 1.048 6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.401 2.226 7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.775 1.758 7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.297 -0.531 9.973 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.668 0.174 8.481 1.00 0.00 H new ATOM 1655 N ASP A 76 8.676 -1.748 6.646 1.00 0.00 N ATOM 1656 CA ASP A 76 8.843 -3.128 7.081 1.00 0.00 C ATOM 1657 C ASP A 76 9.622 -3.948 6.069 1.00 0.00 C ATOM 1658 O ASP A 76 10.561 -4.654 6.435 1.00 0.00 O ATOM 1659 CB ASP A 76 7.487 -3.781 7.345 1.00 0.00 C ATOM 1660 CG ASP A 76 7.227 -3.961 8.822 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.014 -4.670 9.494 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.257 -3.377 9.335 1.00 0.00 O ATOM 0 H ASP A 76 7.767 -1.540 6.232 1.00 0.00 H new ATOM 0 HA ASP A 76 9.415 -3.104 8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.698 -3.168 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.448 -4.751 6.849 1.00 0.00 H new ATOM 1667 N TYR A 77 9.250 -3.846 4.800 1.00 0.00 N ATOM 1668 CA TYR A 77 9.869 -4.664 3.765 1.00 0.00 C ATOM 1669 C TYR A 77 11.373 -4.423 3.685 1.00 0.00 C ATOM 1670 O TYR A 77 12.155 -5.373 3.700 1.00 0.00 O ATOM 1671 CB TYR A 77 9.239 -4.405 2.395 1.00 0.00 C ATOM 1672 CG TYR A 77 10.022 -5.041 1.264 1.00 0.00 C ATOM 1673 CD1 TYR A 77 10.328 -6.396 1.294 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.474 -4.288 0.186 1.00 0.00 C ATOM 1675 CE1 TYR A 77 11.065 -6.980 0.284 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.206 -4.870 -0.831 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.500 -6.216 -0.775 1.00 0.00 C ATOM 1678 OH TYR A 77 12.248 -6.796 -1.775 1.00 0.00 O ATOM 0 H TYR A 77 8.527 -3.209 4.464 1.00 0.00 H new ATOM 0 HA TYR A 77 9.694 -5.703 4.043 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.220 -4.792 2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.173 -3.330 2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.984 -7.001 2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.250 -3.232 0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 77 11.300 -8.033 0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.546 -4.274 -1.665 1.00 0.00 H new ATOM 0 HH TYR A 77 13.048 -6.255 -1.941 1.00 0.00 H new ATOM 1688 N ILE A 78 11.771 -3.159 3.602 1.00 0.00 N ATOM 1689 CA ILE A 78 13.182 -2.812 3.455 1.00 0.00 C ATOM 1690 C ILE A 78 13.985 -3.252 4.678 1.00 0.00 C ATOM 1691 O ILE A 78 15.143 -3.652 4.567 1.00 0.00 O ATOM 1692 CB ILE A 78 13.369 -1.295 3.229 1.00 0.00 C ATOM 1693 CG1 ILE A 78 12.529 -0.833 2.033 1.00 0.00 C ATOM 1694 CG2 ILE A 78 14.839 -0.961 3.008 1.00 0.00 C ATOM 1695 CD1 ILE A 78 12.496 0.671 1.858 1.00 0.00 C ATOM 0 H ILE A 78 11.140 -2.358 3.634 1.00 0.00 H new ATOM 0 HA ILE A 78 13.553 -3.342 2.578 1.00 0.00 H new ATOM 0 HB ILE A 78 13.030 -0.767 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.925 -1.287 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.509 -1.199 2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.949 0.112 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.416 -1.260 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.206 -1.495 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.883 0.923 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.072 1.132 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 78 13.510 1.042 1.705 1.00 0.00 H new ATOM 1707 N ARG A 79 13.353 -3.192 5.840 1.00 0.00 N ATOM 1708 CA ARG A 79 14.000 -3.580 7.084 1.00 0.00 C ATOM 1709 C ARG A 79 14.134 -5.097 7.176 1.00 0.00 C ATOM 1710 O ARG A 79 15.194 -5.618 7.525 1.00 0.00 O ATOM 1711 CB ARG A 79 13.199 -3.051 8.272 1.00 0.00 C ATOM 1712 CG ARG A 79 13.987 -2.992 9.569 1.00 0.00 C ATOM 1713 CD ARG A 79 13.089 -3.186 10.784 1.00 0.00 C ATOM 1714 NE ARG A 79 11.828 -2.455 10.661 1.00 0.00 N ATOM 1715 CZ ARG A 79 10.642 -3.039 10.509 1.00 0.00 C ATOM 1716 NH1 ARG A 79 10.533 -4.364 10.525 1.00 0.00 N ATOM 1717 NH2 ARG A 79 9.555 -2.297 10.360 1.00 0.00 N ATOM 0 H ARG A 79 12.389 -2.877 5.948 1.00 0.00 H new ATOM 0 HA ARG A 79 15.000 -3.147 7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.833 -2.052 8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.324 -3.684 8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.759 -3.761 9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.496 -2.031 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.880 -4.248 10.914 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.614 -2.853 11.679 1.00 0.00 H new ATOM 0 HE ARG A 79 11.860 -1.436 10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.363 -4.942 10.655 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.619 -4.802 10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.628 -1.280 10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.645 -2.743 10.243 1.00 0.00 H new ATOM 1731 N LEU A 80 13.055 -5.798 6.857 1.00 0.00 N ATOM 1732 CA LEU A 80 13.019 -7.249 6.977 1.00 0.00 C ATOM 1733 C LEU A 80 13.801 -7.931 5.857 1.00 0.00 C ATOM 1734 O LEU A 80 14.655 -8.779 6.116 1.00 0.00 O ATOM 1735 CB LEU A 80 11.569 -7.747 6.968 1.00 0.00 C ATOM 1736 CG LEU A 80 10.829 -7.588 8.298 1.00 0.00 C ATOM 1737 CD1 LEU A 80 9.334 -7.441 8.067 1.00 0.00 C ATOM 1738 CD2 LEU A 80 11.114 -8.771 9.206 1.00 0.00 C ATOM 0 H LEU A 80 12.189 -5.383 6.512 1.00 0.00 H new ATOM 0 HA LEU A 80 13.491 -7.508 7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 80 11.019 -7.209 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.563 -8.800 6.688 1.00 0.00 H new ATOM 0 HG LEU A 80 11.189 -6.682 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.827 -7.329 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.146 -6.561 7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.956 -8.327 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.581 -8.643 10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.781 -9.689 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.185 -8.831 9.401 1.00 0.00 H new ATOM 1750 N PHE A 81 13.507 -7.561 4.622 1.00 0.00 N ATOM 1751 CA PHE A 81 14.098 -8.223 3.467 1.00 0.00 C ATOM 1752 C PHE A 81 14.995 -7.267 2.685 1.00 0.00 C ATOM 1753 O PHE A 81 16.134 -7.008 3.073 1.00 0.00 O ATOM 1754 CB PHE A 81 13.001 -8.767 2.548 1.00 0.00 C ATOM 1755 CG PHE A 81 12.313 -10.000 3.060 1.00 0.00 C ATOM 1756 CD1 PHE A 81 11.312 -9.907 4.013 1.00 0.00 C ATOM 1757 CD2 PHE A 81 12.662 -11.252 2.580 1.00 0.00 C ATOM 1758 CE1 PHE A 81 10.670 -11.037 4.476 1.00 0.00 C ATOM 1759 CE2 PHE A 81 12.024 -12.388 3.042 1.00 0.00 C ATOM 1760 CZ PHE A 81 11.027 -12.279 3.991 1.00 0.00 C ATOM 0 H PHE A 81 12.862 -6.805 4.391 1.00 0.00 H new ATOM 0 HA PHE A 81 14.707 -9.050 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.255 -7.988 2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 81 13.437 -8.988 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.031 -8.938 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 81 13.441 -11.341 1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.889 -10.950 5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.305 -13.359 2.661 1.00 0.00 H new ATOM 0 HZ PHE A 81 10.527 -13.165 4.354 1.00 0.00 H new ATOM 1770 N GLY A 82 14.462 -6.740 1.592 1.00 0.00 N ATOM 1771 CA GLY A 82 15.236 -5.894 0.710 1.00 0.00 C ATOM 1772 C GLY A 82 15.251 -6.455 -0.695 1.00 0.00 C ATOM 1773 O GLY A 82 14.688 -5.817 -1.605 1.00 0.00 O ATOM 1774 OXT GLY A 82 15.785 -7.569 -0.887 1.00 0.00 O ATOM 0 H GLY A 82 13.496 -6.886 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.815 -4.889 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.256 -5.809 1.083 1.00 0.00 H new