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 64 SER OG : rot -80:sc= -0.303 USER MOD Set 1.2: A 668 MET CE :methyl -169:sc= -0.602 (180deg=-0.365) USER MOD Set 2.1: A 65 TYR OH : rot 150:sc= 1.02 USER MOD Set 2.2: A 667 LYS NZ :NH3+ 151:sc= 1.19 (180deg=0) USER MOD Set 3.1: A 67 LYS NZ :NH3+ 170:sc= 0.869 (180deg=0.293) USER MOD Set 3.2: A 77 TYR OH : rot -105:sc= 1.29 USER MOD Set 3.3: A 666 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 50 CYS SG : rot 161:sc= 3.48 USER MOD Set 4.2: A 52 SER OG : rot 94:sc= 1.47 USER MOD Set 4.3: A 53 CYS SG : rot 53:sc= 0.517 USER MOD Set 4.4: A 73 CYS SG : rot -131:sc= -5.12! USER MOD Set 5.1: A 21 LYS NZ :NH3+ 180:sc= 1.47 (180deg=0.161) USER MOD Set 5.2: A 42 TYR OH : rot 180:sc= 0.911 USER MOD Set 6.1: A 23 CYS SG : rot 163:sc= 1.38 USER MOD Set 6.2: A 26 CYS SG : rot -29:sc= 0.211 USER MOD Set 6.3: A 44 HIS : no HE2:sc= -1.09! K(o=0.0065!,f=-3.2) USER MOD Set 6.4: A 47 CYS SG : rot 120:sc= -0.502 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 114:sc= 0.0135 USER MOD Single : A 39 MET CE :methyl -129:sc= -0.0509 (180deg=-0.952) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.112 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 70:sc= 1.18 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0784 F(o=-0.74,f=-0.078) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.22 F(o=-2.3!,f=-0.22) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 63 SER OG : rot 180:sc= 0.143 USER MOD Single : A 66 THR OG1 : rot 72:sc= 1.3 USER MOD Single : A 68 SER OG : rot 136:sc= 0.625 USER MOD Single : A 70 MET CE :methyl 149:sc= -0.311 (180deg=-1.23) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 664 SER OG : rot 180:sc= 0.164 USER MOD Single : A 665 GLN : amide:sc= -0.452 K(o=-0.45,f=-1.1) USER MOD Single : A 671 THR OG1 : rot -38:sc= 0.613 USER MOD Single : A 675 THR OG1 : rot -142:sc= 1.99 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 12.979 -1.883 -7.889 1.00 0.00 N ATOM 327 CA LEU A 663 12.228 -2.940 -7.224 1.00 0.00 C ATOM 328 C LEU A 663 10.840 -3.073 -7.847 1.00 0.00 C ATOM 329 O LEU A 663 9.874 -3.439 -7.176 1.00 0.00 O ATOM 330 CB LEU A 663 12.099 -2.643 -5.725 1.00 0.00 C ATOM 331 CG LEU A 663 13.417 -2.504 -4.967 1.00 0.00 C ATOM 332 CD1 LEU A 663 13.187 -1.815 -3.631 1.00 0.00 C ATOM 333 CD2 LEU A 663 14.058 -3.867 -4.761 1.00 0.00 C ATOM 0 HA LEU A 663 12.767 -3.879 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.531 -1.721 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.517 -3.440 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 663 14.096 -1.892 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 663 14.135 -1.723 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.768 -0.823 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 663 12.493 -2.405 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.996 -3.750 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 663 13.384 -4.503 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.253 -4.327 -5.730 1.00 0.00 H new ATOM 345 N SER A 664 10.756 -2.788 -9.139 1.00 0.00 N ATOM 346 CA SER A 664 9.488 -2.763 -9.856 1.00 0.00 C ATOM 347 C SER A 664 8.819 -4.138 -9.867 1.00 0.00 C ATOM 348 O SER A 664 7.596 -4.244 -9.903 1.00 0.00 O ATOM 349 CB SER A 664 9.740 -2.282 -11.281 1.00 0.00 C ATOM 350 OG SER A 664 11.121 -2.004 -11.471 1.00 0.00 O ATOM 0 H SER A 664 11.565 -2.568 -9.720 1.00 0.00 H new ATOM 0 HA SER A 664 8.809 -2.080 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 664 9.414 -3.042 -11.991 1.00 0.00 H new ATOM 0 HB3 SER A 664 9.151 -1.386 -11.479 1.00 0.00 H new ATOM 0 HG SER A 664 11.270 -1.698 -12.390 1.00 0.00 H new ATOM 356 N GLN A 665 9.629 -5.186 -9.803 1.00 0.00 N ATOM 357 CA GLN A 665 9.117 -6.551 -9.833 1.00 0.00 C ATOM 358 C GLN A 665 8.426 -6.901 -8.516 1.00 0.00 C ATOM 359 O GLN A 665 7.533 -7.747 -8.478 1.00 0.00 O ATOM 360 CB GLN A 665 10.253 -7.539 -10.113 1.00 0.00 C ATOM 361 CG GLN A 665 11.008 -7.248 -11.400 1.00 0.00 C ATOM 362 CD GLN A 665 12.243 -6.403 -11.168 1.00 0.00 C ATOM 363 OE1 GLN A 665 12.975 -6.604 -10.202 1.00 0.00 O ATOM 364 NE2 GLN A 665 12.480 -5.447 -12.051 1.00 0.00 N ATOM 0 H GLN A 665 10.644 -5.118 -9.730 1.00 0.00 H new ATOM 0 HA GLN A 665 8.382 -6.622 -10.635 1.00 0.00 H new ATOM 0 HB2 GLN A 665 10.954 -7.520 -9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 665 9.843 -8.548 -10.162 1.00 0.00 H new ATOM 0 HG2 GLN A 665 11.298 -8.189 -11.868 1.00 0.00 H new ATOM 0 HG3 GLN A 665 10.346 -6.735 -12.098 1.00 0.00 H new ATOM 0 HE21 GLN A 665 11.847 -5.313 -12.840 1.00 0.00 H new ATOM 0 HE22 GLN A 665 13.296 -4.844 -11.943 1.00 0.00 H new ATOM 373 N TYR A 666 8.830 -6.234 -7.444 1.00 0.00 N ATOM 374 CA TYR A 666 8.251 -6.474 -6.126 1.00 0.00 C ATOM 375 C TYR A 666 7.172 -5.446 -5.831 1.00 0.00 C ATOM 376 O TYR A 666 6.461 -5.537 -4.827 1.00 0.00 O ATOM 377 CB TYR A 666 9.327 -6.404 -5.047 1.00 0.00 C ATOM 378 CG TYR A 666 10.518 -7.291 -5.314 1.00 0.00 C ATOM 379 CD1 TYR A 666 10.408 -8.676 -5.251 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.755 -6.744 -5.629 1.00 0.00 C ATOM 381 CE1 TYR A 666 11.497 -9.488 -5.492 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.849 -7.551 -5.870 1.00 0.00 C ATOM 383 CZ TYR A 666 12.714 -8.920 -5.800 1.00 0.00 C ATOM 384 OH TYR A 666 13.806 -9.726 -6.037 1.00 0.00 O ATOM 0 H TYR A 666 9.558 -5.520 -7.460 1.00 0.00 H new ATOM 0 HA TYR A 666 7.811 -7.471 -6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.668 -5.373 -4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.886 -6.682 -4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 666 9.455 -9.123 -5.010 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.863 -5.671 -5.686 1.00 0.00 H new ATOM 0 HE1 TYR A 666 11.396 -10.562 -5.440 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.805 -7.111 -6.112 1.00 0.00 H new ATOM 0 HH TYR A 666 14.586 -9.169 -6.241 1.00 0.00 H new ATOM 394 N LYS A 667 7.053 -4.475 -6.720 1.00 0.00 N ATOM 395 CA LYS A 667 6.120 -3.375 -6.538 1.00 0.00 C ATOM 396 C LYS A 667 4.698 -3.803 -6.866 1.00 0.00 C ATOM 397 O LYS A 667 4.472 -4.673 -7.711 1.00 0.00 O ATOM 398 CB LYS A 667 6.515 -2.195 -7.425 1.00 0.00 C ATOM 399 CG LYS A 667 6.194 -0.839 -6.819 1.00 0.00 C ATOM 400 CD LYS A 667 6.917 0.278 -7.549 1.00 0.00 C ATOM 401 CE LYS A 667 6.678 1.624 -6.885 1.00 0.00 C ATOM 402 NZ LYS A 667 7.950 2.334 -6.604 1.00 0.00 N ATOM 0 H LYS A 667 7.596 -4.426 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 667 6.160 -3.073 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 667 7.584 -2.248 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 667 6.003 -2.285 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 667 5.119 -0.666 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 667 6.479 -0.832 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 667 7.986 0.067 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 667 6.578 0.317 -8.584 1.00 0.00 H new ATOM 0 HE2 LYS A 667 6.052 2.241 -7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 667 6.130 1.478 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 7.787 3.361 -6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 8.300 2.060 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 8.656 2.079 -7.324 1.00 0.00 H new ATOM 416 N MET A 668 3.746 -3.190 -6.187 1.00 0.00 N ATOM 417 CA MET A 668 2.341 -3.408 -6.473 1.00 0.00 C ATOM 418 C MET A 668 1.692 -2.077 -6.825 1.00 0.00 C ATOM 419 O MET A 668 2.172 -1.018 -6.410 1.00 0.00 O ATOM 420 CB MET A 668 1.632 -4.066 -5.279 1.00 0.00 C ATOM 421 CG MET A 668 1.373 -3.123 -4.115 1.00 0.00 C ATOM 422 SD MET A 668 -0.318 -2.499 -4.096 1.00 0.00 S ATOM 423 CE MET A 668 -0.551 -2.203 -2.346 1.00 0.00 C ATOM 0 H MET A 668 3.923 -2.532 -5.428 1.00 0.00 H new ATOM 0 HA MET A 668 2.249 -4.088 -7.320 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.681 -4.479 -5.617 1.00 0.00 H new ATOM 0 HB3 MET A 668 2.236 -4.903 -4.928 1.00 0.00 H new ATOM 0 HG2 MET A 668 1.576 -3.643 -3.179 1.00 0.00 H new ATOM 0 HG3 MET A 668 2.066 -2.284 -4.170 1.00 0.00 H new ATOM 0 HE1 MET A 668 -1.604 -2.002 -2.148 1.00 0.00 H new ATOM 0 HE2 MET A 668 -0.237 -3.082 -1.783 1.00 0.00 H new ATOM 0 HE3 MET A 668 0.046 -1.344 -2.040 1.00 0.00 H new ATOM 433 N ASP A 669 0.637 -2.119 -7.614 1.00 0.00 N ATOM 434 CA ASP A 669 -0.057 -0.902 -8.001 1.00 0.00 C ATOM 435 C ASP A 669 -1.288 -0.705 -7.145 1.00 0.00 C ATOM 436 O ASP A 669 -2.217 -1.514 -7.181 1.00 0.00 O ATOM 437 CB ASP A 669 -0.460 -0.934 -9.472 1.00 0.00 C ATOM 438 CG ASP A 669 -1.065 0.383 -9.916 1.00 0.00 C ATOM 439 OD1 ASP A 669 -0.299 1.331 -10.191 1.00 0.00 O ATOM 440 OD2 ASP A 669 -2.308 0.482 -9.995 1.00 0.00 O ATOM 0 H ASP A 669 0.241 -2.977 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 669 0.630 -0.069 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.414 -1.158 -10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -1.178 -1.738 -9.635 1.00 0.00 H new ATOM 445 N VAL A 670 -1.297 0.365 -6.378 1.00 0.00 N ATOM 446 CA VAL A 670 -2.431 0.663 -5.527 1.00 0.00 C ATOM 447 C VAL A 670 -3.493 1.402 -6.329 1.00 0.00 C ATOM 448 O VAL A 670 -3.435 2.624 -6.482 1.00 0.00 O ATOM 449 CB VAL A 670 -2.028 1.513 -4.301 1.00 0.00 C ATOM 450 CG1 VAL A 670 -2.896 1.164 -3.101 1.00 0.00 C ATOM 451 CG2 VAL A 670 -0.554 1.326 -3.964 1.00 0.00 C ATOM 0 H VAL A 670 -0.535 1.041 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.826 -0.285 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.186 2.562 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -2.598 1.772 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -3.942 1.360 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -2.771 0.109 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -0.299 1.936 -3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -0.363 0.277 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 670 0.055 1.631 -4.815 1.00 0.00 H new ATOM 461 N THR A 671 -4.441 0.649 -6.860 1.00 0.00 N ATOM 462 CA THR A 671 -5.531 1.224 -7.626 1.00 0.00 C ATOM 463 C THR A 671 -6.680 1.599 -6.702 1.00 0.00 C ATOM 464 O THR A 671 -7.301 0.734 -6.088 1.00 0.00 O ATOM 465 CB THR A 671 -6.033 0.244 -8.709 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.917 -0.422 -9.320 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.833 0.972 -9.777 1.00 0.00 C ATOM 0 H THR A 671 -4.477 -0.367 -6.773 1.00 0.00 H new ATOM 0 HA THR A 671 -5.155 2.119 -8.121 1.00 0.00 H new ATOM 0 HB THR A 671 -6.682 -0.488 -8.228 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.173 0.209 -9.418 1.00 0.00 H new ATOM 0 HG21 THR A 671 -7.174 0.258 -10.526 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.695 1.456 -9.319 1.00 0.00 H new ATOM 0 HG23 THR A 671 -6.204 1.725 -10.253 1.00 0.00 H new ATOM 475 N VAL A 672 -6.939 2.890 -6.584 1.00 0.00 N ATOM 476 CA VAL A 672 -8.014 3.373 -5.733 1.00 0.00 C ATOM 477 C VAL A 672 -9.305 3.481 -6.532 1.00 0.00 C ATOM 478 O VAL A 672 -9.456 4.375 -7.364 1.00 0.00 O ATOM 479 CB VAL A 672 -7.690 4.749 -5.110 1.00 0.00 C ATOM 480 CG1 VAL A 672 -8.296 4.859 -3.716 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.185 4.988 -5.063 1.00 0.00 C ATOM 0 H VAL A 672 -6.420 3.623 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.130 2.652 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.132 5.520 -5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -8.058 5.834 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -9.378 4.745 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -7.886 4.076 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -5.985 5.964 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -5.712 4.212 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -5.780 4.959 -6.075 1.00 0.00 H new ATOM 491 N ILE A 673 -10.223 2.558 -6.291 1.00 0.00 N ATOM 492 CA ILE A 673 -11.481 2.534 -7.016 1.00 0.00 C ATOM 493 C ILE A 673 -12.487 3.467 -6.356 1.00 0.00 C ATOM 494 O ILE A 673 -12.781 3.345 -5.165 1.00 0.00 O ATOM 495 CB ILE A 673 -12.060 1.100 -7.094 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.333 0.299 -8.179 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.559 1.135 -7.370 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.155 -0.502 -7.665 1.00 0.00 C ATOM 0 H ILE A 673 -10.119 1.816 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.287 2.876 -8.033 1.00 0.00 H new ATOM 0 HB ILE A 673 -11.905 0.611 -6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.042 -0.380 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.984 0.985 -8.951 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -13.944 0.116 -7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.064 1.674 -6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.743 1.640 -8.319 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -9.693 -1.041 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -9.424 0.172 -7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -10.499 -1.214 -6.915 1.00 0.00 H new ATOM 510 N ASP A 674 -13.002 4.406 -7.131 1.00 0.00 N ATOM 511 CA ASP A 674 -13.963 5.360 -6.616 1.00 0.00 C ATOM 512 C ASP A 674 -15.379 4.812 -6.728 1.00 0.00 C ATOM 513 O ASP A 674 -15.740 4.167 -7.717 1.00 0.00 O ATOM 514 CB ASP A 674 -13.829 6.709 -7.339 1.00 0.00 C ATOM 515 CG ASP A 674 -14.806 6.886 -8.486 1.00 0.00 C ATOM 516 OD1 ASP A 674 -14.488 6.442 -9.612 1.00 0.00 O ATOM 517 OD2 ASP A 674 -15.878 7.489 -8.275 1.00 0.00 O ATOM 0 H ASP A 674 -12.770 4.526 -8.117 1.00 0.00 H new ATOM 0 HA ASP A 674 -13.752 5.525 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -13.978 7.514 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -12.813 6.807 -7.721 1.00 0.00 H new ATOM 522 N THR A 675 -16.157 5.030 -5.686 1.00 0.00 N ATOM 523 CA THR A 675 -17.547 4.628 -5.672 1.00 0.00 C ATOM 524 C THR A 675 -18.427 5.790 -6.114 1.00 0.00 C ATOM 525 O THR A 675 -18.551 6.783 -5.402 1.00 0.00 O ATOM 526 CB THR A 675 -17.973 4.171 -4.265 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.982 4.568 -3.301 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.154 2.663 -4.219 1.00 0.00 C ATOM 0 H THR A 675 -15.844 5.488 -4.830 1.00 0.00 H new ATOM 0 HA THR A 675 -17.666 3.792 -6.362 1.00 0.00 H new ATOM 0 HB THR A 675 -18.926 4.643 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.877 3.861 -2.630 1.00 0.00 H new ATOM 0 HG21 THR A 675 -18.455 2.363 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 675 -18.923 2.367 -4.932 1.00 0.00 H new ATOM 0 HG23 THR A 675 -17.214 2.176 -4.477 1.00 0.00 H new ATOM 806 N TRP A 20 -21.121 -7.983 -4.481 1.00 0.00 N ATOM 807 CA TRP A 20 -20.313 -6.806 -4.797 1.00 0.00 C ATOM 808 C TRP A 20 -18.882 -7.222 -5.138 1.00 0.00 C ATOM 809 O TRP A 20 -18.647 -7.906 -6.140 1.00 0.00 O ATOM 810 CB TRP A 20 -20.323 -5.796 -3.636 1.00 0.00 C ATOM 811 CG TRP A 20 -21.632 -5.726 -2.906 1.00 0.00 C ATOM 812 CD1 TRP A 20 -22.871 -5.554 -3.456 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.831 -5.827 -1.492 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.827 -5.547 -2.472 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.216 -5.714 -1.256 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.976 -6.003 -0.400 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.761 -5.772 0.023 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.519 -6.060 0.869 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.899 -5.947 1.071 1.00 0.00 C ATOM 0 HA TRP A 20 -20.752 -6.317 -5.667 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.537 -6.061 -2.929 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.081 -4.807 -4.025 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.069 -5.440 -4.512 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.830 -5.436 -2.621 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.910 -6.093 -0.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.825 -5.682 0.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.867 -6.194 1.720 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.292 -5.999 2.076 1.00 0.00 H new ATOM 830 N LYS A 21 -17.935 -6.822 -4.305 1.00 0.00 N ATOM 831 CA LYS A 21 -16.543 -7.207 -4.482 1.00 0.00 C ATOM 832 C LYS A 21 -16.059 -7.966 -3.254 1.00 0.00 C ATOM 833 O LYS A 21 -16.150 -7.464 -2.136 1.00 0.00 O ATOM 834 CB LYS A 21 -15.663 -5.974 -4.717 1.00 0.00 C ATOM 835 CG LYS A 21 -16.204 -5.018 -5.774 1.00 0.00 C ATOM 836 CD LYS A 21 -15.664 -5.345 -7.160 1.00 0.00 C ATOM 837 CE LYS A 21 -15.187 -4.095 -7.891 1.00 0.00 C ATOM 838 NZ LYS A 21 -14.766 -4.386 -9.289 1.00 0.00 N ATOM 0 H LYS A 21 -18.106 -6.227 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.470 -7.852 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.553 -5.434 -3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.667 -6.303 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.293 -5.068 -5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.935 -3.995 -5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.839 -6.051 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.441 -5.835 -7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.987 -3.355 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.352 -3.654 -7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.450 -3.507 -9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.985 -5.072 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.569 -4.782 -9.818 1.00 0.00 H new ATOM 852 N ARG A 22 -15.558 -9.175 -3.462 1.00 0.00 N ATOM 853 CA ARG A 22 -15.107 -10.013 -2.360 1.00 0.00 C ATOM 854 C ARG A 22 -13.718 -9.586 -1.899 1.00 0.00 C ATOM 855 O ARG A 22 -12.809 -9.420 -2.716 1.00 0.00 O ATOM 856 CB ARG A 22 -15.094 -11.484 -2.786 1.00 0.00 C ATOM 857 CG ARG A 22 -14.551 -12.426 -1.725 1.00 0.00 C ATOM 858 CD ARG A 22 -15.642 -13.326 -1.168 1.00 0.00 C ATOM 859 NE ARG A 22 -15.168 -14.126 -0.042 1.00 0.00 N ATOM 860 CZ ARG A 22 -14.896 -15.430 -0.113 1.00 0.00 C ATOM 861 NH1 ARG A 22 -15.059 -16.086 -1.254 1.00 0.00 N ATOM 862 NH2 ARG A 22 -14.453 -16.076 0.957 1.00 0.00 N ATOM 0 H ARG A 22 -15.453 -9.598 -4.384 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.800 -9.894 -1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.109 -11.787 -3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.493 -11.585 -3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.756 -13.038 -2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.107 -11.847 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.488 -12.716 -0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.004 -13.987 -1.955 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.037 -13.658 0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.394 -15.593 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.850 -17.083 -1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.320 -15.576 1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.245 -17.073 0.901 1.00 0.00 H new ATOM 876 N CYS A 23 -13.562 -9.408 -0.595 1.00 0.00 N ATOM 877 CA CYS A 23 -12.296 -8.991 -0.027 1.00 0.00 C ATOM 878 C CYS A 23 -11.401 -10.195 0.221 1.00 0.00 C ATOM 879 O CYS A 23 -11.879 -11.286 0.536 1.00 0.00 O ATOM 880 CB CYS A 23 -12.528 -8.237 1.284 1.00 0.00 C ATOM 881 SG CYS A 23 -10.996 -7.679 2.098 1.00 0.00 S ATOM 0 H CYS A 23 -14.304 -9.548 0.090 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.802 -8.328 -0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.159 -7.370 1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.078 -8.882 1.970 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.281 -6.768 2.980 1.00 0.00 H new ATOM 886 N ALA A 24 -10.105 -9.984 0.078 1.00 0.00 N ATOM 887 CA ALA A 24 -9.126 -11.017 0.363 1.00 0.00 C ATOM 888 C ALA A 24 -8.500 -10.777 1.731 1.00 0.00 C ATOM 889 O ALA A 24 -7.604 -11.507 2.158 1.00 0.00 O ATOM 890 CB ALA A 24 -8.058 -11.050 -0.718 1.00 0.00 C ATOM 0 H ALA A 24 -9.704 -9.100 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.627 -11.985 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.332 -11.830 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.522 -11.258 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.553 -10.085 -0.760 1.00 0.00 H new ATOM 896 N GLY A 25 -8.979 -9.742 2.407 1.00 0.00 N ATOM 897 CA GLY A 25 -8.463 -9.398 3.712 1.00 0.00 C ATOM 898 C GLY A 25 -9.293 -9.976 4.838 1.00 0.00 C ATOM 899 O GLY A 25 -8.771 -10.706 5.684 1.00 0.00 O ATOM 0 H GLY A 25 -9.722 -9.131 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.438 -9.758 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.429 -8.313 3.811 1.00 0.00 H new ATOM 903 N CYS A 26 -10.592 -9.676 4.854 1.00 0.00 N ATOM 904 CA CYS A 26 -11.445 -10.167 5.922 1.00 0.00 C ATOM 905 C CYS A 26 -12.123 -11.465 5.499 1.00 0.00 C ATOM 906 O CYS A 26 -12.600 -12.233 6.336 1.00 0.00 O ATOM 907 CB CYS A 26 -12.486 -9.120 6.377 1.00 0.00 C ATOM 908 SG CYS A 26 -13.224 -8.074 5.070 1.00 0.00 S ATOM 0 H CYS A 26 -11.064 -9.106 4.152 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.808 -10.364 6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.293 -9.643 6.890 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.013 -8.466 7.110 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.372 -7.927 4.099 1.00 0.00 H new ATOM 913 N GLY A 27 -12.147 -11.707 4.194 1.00 0.00 N ATOM 914 CA GLY A 27 -12.710 -12.938 3.672 1.00 0.00 C ATOM 915 C GLY A 27 -14.163 -12.781 3.282 1.00 0.00 C ATOM 916 O GLY A 27 -14.767 -13.694 2.710 1.00 0.00 O ATOM 0 H GLY A 27 -11.785 -11.070 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.135 -13.259 2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.620 -13.724 4.422 1.00 0.00 H new ATOM 920 N GLY A 28 -14.727 -11.623 3.586 1.00 0.00 N ATOM 921 CA GLY A 28 -16.108 -11.362 3.249 1.00 0.00 C ATOM 922 C GLY A 28 -16.233 -10.536 1.990 1.00 0.00 C ATOM 923 O GLY A 28 -15.493 -10.740 1.028 1.00 0.00 O ATOM 0 H GLY A 28 -14.250 -10.857 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.635 -12.307 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.591 -10.840 4.075 1.00 0.00 H new ATOM 927 N LYS A 29 -17.166 -9.604 1.994 1.00 0.00 N ATOM 928 CA LYS A 29 -17.364 -8.712 0.866 1.00 0.00 C ATOM 929 C LYS A 29 -17.037 -7.288 1.279 1.00 0.00 C ATOM 930 O LYS A 29 -17.220 -6.917 2.439 1.00 0.00 O ATOM 931 CB LYS A 29 -18.806 -8.794 0.366 1.00 0.00 C ATOM 932 CG LYS A 29 -19.387 -10.201 0.405 1.00 0.00 C ATOM 933 CD LYS A 29 -20.491 -10.325 1.442 1.00 0.00 C ATOM 934 CE LYS A 29 -21.722 -9.526 1.048 1.00 0.00 C ATOM 935 NZ LYS A 29 -22.939 -10.376 0.976 1.00 0.00 N ATOM 0 H LYS A 29 -17.805 -9.443 2.773 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.700 -9.015 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.429 -8.136 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.848 -8.421 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.781 -10.460 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.595 -10.916 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -20.761 -11.374 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -20.124 -9.977 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.881 -8.726 1.771 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.553 -9.053 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.755 -9.791 0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -22.798 -11.125 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.117 -10.808 1.905 1.00 0.00 H new ATOM 949 N ILE A 30 -16.546 -6.498 0.343 1.00 0.00 N ATOM 950 CA ILE A 30 -16.207 -5.116 0.622 1.00 0.00 C ATOM 951 C ILE A 30 -17.465 -4.262 0.683 1.00 0.00 C ATOM 952 O ILE A 30 -18.119 -4.021 -0.330 1.00 0.00 O ATOM 953 CB ILE A 30 -15.240 -4.539 -0.432 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.938 -5.340 -0.449 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.956 -3.067 -0.153 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.164 -5.206 -1.742 1.00 0.00 C ATOM 0 H ILE A 30 -16.373 -6.791 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.705 -5.095 1.589 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.711 -4.616 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.308 -5.012 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.166 -6.392 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.272 -2.679 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.889 -2.504 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.504 -2.964 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.252 -5.800 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -13.776 -5.561 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.905 -4.160 -1.904 1.00 0.00 H new ATOM 968 N ALA A 31 -17.800 -3.829 1.887 1.00 0.00 N ATOM 969 CA ALA A 31 -18.917 -2.926 2.098 1.00 0.00 C ATOM 970 C ALA A 31 -18.391 -1.557 2.493 1.00 0.00 C ATOM 971 O ALA A 31 -19.127 -0.701 2.990 1.00 0.00 O ATOM 972 CB ALA A 31 -19.856 -3.478 3.162 1.00 0.00 C ATOM 0 H ALA A 31 -17.308 -4.092 2.741 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.485 -2.831 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.687 -2.788 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.240 -4.446 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.314 -3.595 4.100 1.00 0.00 H new ATOM 978 N ASP A 32 -17.097 -1.371 2.279 1.00 0.00 N ATOM 979 CA ASP A 32 -16.452 -0.101 2.562 1.00 0.00 C ATOM 980 C ASP A 32 -16.740 0.901 1.452 1.00 0.00 C ATOM 981 O ASP A 32 -17.363 0.562 0.446 1.00 0.00 O ATOM 982 CB ASP A 32 -14.946 -0.294 2.710 1.00 0.00 C ATOM 983 CG ASP A 32 -14.371 0.533 3.835 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.232 1.761 3.662 1.00 0.00 O ATOM 985 OD2 ASP A 32 -14.059 -0.043 4.897 1.00 0.00 O ATOM 0 H ASP A 32 -16.472 -2.087 1.909 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.853 0.287 3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.733 -1.348 2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.454 -0.025 1.776 1.00 0.00 H new ATOM 990 N ARG A 33 -16.284 2.129 1.636 1.00 0.00 N ATOM 991 CA ARG A 33 -16.508 3.176 0.650 1.00 0.00 C ATOM 992 C ARG A 33 -15.567 3.002 -0.538 1.00 0.00 C ATOM 993 O ARG A 33 -15.996 2.695 -1.649 1.00 0.00 O ATOM 994 CB ARG A 33 -16.304 4.559 1.279 1.00 0.00 C ATOM 995 CG ARG A 33 -16.630 5.711 0.341 1.00 0.00 C ATOM 996 CD ARG A 33 -18.055 5.630 -0.188 1.00 0.00 C ATOM 997 NE ARG A 33 -18.640 6.954 -0.380 1.00 0.00 N ATOM 998 CZ ARG A 33 -18.562 7.651 -1.511 1.00 0.00 C ATOM 999 NH1 ARG A 33 -17.982 7.131 -2.588 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -19.079 8.868 -1.568 1.00 0.00 N ATOM 0 H ARG A 33 -15.757 2.426 2.457 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.537 3.098 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.928 4.639 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.268 4.650 1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.491 6.656 0.866 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.932 5.706 -0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.061 5.090 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -18.669 5.059 0.509 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.141 7.372 0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.592 6.189 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.927 7.674 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.535 9.268 -0.747 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.022 9.406 -2.432 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.285 3.217 -0.298 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.282 3.091 -1.339 1.00 0.00 C ATOM 1016 C PHE A 34 -12.542 1.773 -1.206 1.00 0.00 C ATOM 1017 O PHE A 34 -11.976 1.473 -0.151 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.296 4.258 -1.274 1.00 0.00 C ATOM 1019 CG PHE A 34 -12.643 5.366 -2.218 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -13.855 6.027 -2.109 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -11.765 5.742 -3.218 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -14.185 7.042 -2.981 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -12.090 6.755 -4.096 1.00 0.00 C ATOM 1024 CZ PHE A 34 -13.301 7.406 -3.977 1.00 0.00 C ATOM 0 H PHE A 34 -13.914 3.481 0.614 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.785 3.112 -2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.270 4.649 -0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.294 3.894 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.549 5.744 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.815 5.237 -3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.133 7.551 -2.885 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.398 7.038 -4.875 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.557 8.200 -4.663 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.555 0.986 -2.265 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.805 -0.254 -2.287 1.00 0.00 C ATOM 1036 C LEU A 35 -10.490 -0.040 -3.020 1.00 0.00 C ATOM 1037 O LEU A 35 -10.405 0.767 -3.949 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.623 -1.389 -2.919 1.00 0.00 C ATOM 1039 CG LEU A 35 -12.891 -1.269 -4.418 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -12.101 -2.320 -5.185 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -14.379 -1.408 -4.702 1.00 0.00 C ATOM 0 H LEU A 35 -13.076 1.183 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.588 -0.554 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.103 -2.329 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.581 -1.450 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.566 -0.283 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.303 -2.221 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.036 -2.179 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.398 -3.314 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.555 -1.320 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.726 -2.382 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.924 -0.622 -4.180 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.465 -0.748 -2.590 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.132 -0.551 -3.124 1.00 0.00 C ATOM 1055 C LEU A 36 -7.613 -1.834 -3.748 1.00 0.00 C ATOM 1056 O LEU A 36 -8.120 -2.922 -3.471 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.180 -0.081 -2.021 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.416 1.351 -1.532 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -8.128 1.350 -0.188 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -6.097 2.105 -1.443 1.00 0.00 C ATOM 0 H LEU A 36 -9.530 -1.467 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.182 0.217 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.269 -0.759 -1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.156 -0.160 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.056 1.860 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.286 2.377 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.091 0.849 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.518 0.823 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.282 3.121 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.433 1.596 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.630 2.139 -2.427 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.608 -1.697 -4.592 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.010 -2.833 -5.268 1.00 0.00 C ATOM 1074 C TYR A 37 -4.611 -3.098 -4.746 1.00 0.00 C ATOM 1075 O TYR A 37 -3.851 -2.166 -4.485 1.00 0.00 O ATOM 1076 CB TYR A 37 -5.950 -2.579 -6.769 1.00 0.00 C ATOM 1077 CG TYR A 37 -6.708 -3.592 -7.582 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -6.361 -4.935 -7.553 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.768 -3.204 -8.382 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.055 -5.864 -8.298 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.466 -4.123 -9.132 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.104 -5.454 -9.088 1.00 0.00 C ATOM 1083 OH TYR A 37 -8.789 -6.378 -9.841 1.00 0.00 O ATOM 0 H TYR A 37 -6.185 -0.799 -4.828 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.630 -3.707 -5.070 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.349 -1.586 -6.977 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.907 -2.577 -7.087 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.534 -5.257 -6.937 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.052 -2.163 -8.419 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -6.777 -6.907 -8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.292 -3.805 -9.751 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.706 -6.459 -9.504 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.289 -4.370 -4.594 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.957 -4.791 -4.196 1.00 0.00 C ATOM 1095 C ALA A 38 -2.679 -6.180 -4.734 1.00 0.00 C ATOM 1096 O ALA A 38 -3.453 -7.112 -4.481 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.808 -4.773 -2.684 1.00 0.00 C ATOM 0 H ALA A 38 -4.942 -5.139 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.233 -4.091 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.802 -5.092 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.980 -3.762 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.536 -5.451 -2.239 1.00 0.00 H new ATOM 1103 N MET A 39 -1.600 -6.298 -5.502 1.00 0.00 N ATOM 1104 CA MET A 39 -1.187 -7.559 -6.116 1.00 0.00 C ATOM 1105 C MET A 39 -2.164 -7.970 -7.214 1.00 0.00 C ATOM 1106 O MET A 39 -1.848 -7.870 -8.399 1.00 0.00 O ATOM 1107 CB MET A 39 -1.050 -8.674 -5.071 1.00 0.00 C ATOM 1108 CG MET A 39 0.388 -8.943 -4.657 1.00 0.00 C ATOM 1109 SD MET A 39 1.060 -7.646 -3.596 1.00 0.00 S ATOM 1110 CE MET A 39 0.416 -8.151 -2.004 1.00 0.00 C ATOM 0 H MET A 39 -0.982 -5.516 -5.718 1.00 0.00 H new ATOM 0 HA MET A 39 -0.206 -7.402 -6.565 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.630 -8.407 -4.188 1.00 0.00 H new ATOM 0 HB3 MET A 39 -1.482 -9.591 -5.471 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.439 -9.898 -4.134 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.008 -9.035 -5.549 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.080 -7.305 -1.527 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.300 -8.961 -2.142 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.235 -8.494 -1.372 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.353 -8.410 -6.815 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.368 -8.857 -7.767 1.00 0.00 C ATOM 1122 C ASP A 40 -5.746 -8.989 -7.107 1.00 0.00 C ATOM 1123 O ASP A 40 -6.732 -9.304 -7.769 1.00 0.00 O ATOM 1124 CB ASP A 40 -3.959 -10.203 -8.374 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.777 -10.564 -9.596 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.867 -9.733 -10.523 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.328 -11.683 -9.636 1.00 0.00 O ATOM 0 H ASP A 40 -3.639 -8.467 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.440 -8.103 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.904 -10.169 -8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.071 -10.985 -7.623 1.00 0.00 H new ATOM 1132 N SER A 41 -5.824 -8.735 -5.808 1.00 0.00 N ATOM 1133 CA SER A 41 -7.063 -8.957 -5.076 1.00 0.00 C ATOM 1134 C SER A 41 -7.753 -7.639 -4.737 1.00 0.00 C ATOM 1135 O SER A 41 -7.181 -6.564 -4.928 1.00 0.00 O ATOM 1136 CB SER A 41 -6.767 -9.749 -3.806 1.00 0.00 C ATOM 1137 OG SER A 41 -5.560 -10.481 -3.951 1.00 0.00 O ATOM 0 H SER A 41 -5.052 -8.379 -5.244 1.00 0.00 H new ATOM 0 HA SER A 41 -7.743 -9.527 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.689 -9.071 -2.956 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.591 -10.431 -3.595 1.00 0.00 H new ATOM 0 HG SER A 41 -5.381 -10.983 -3.129 1.00 0.00 H new ATOM 1143 N TYR A 42 -8.984 -7.733 -4.255 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.738 -6.561 -3.835 1.00 0.00 C ATOM 1145 C TYR A 42 -9.541 -6.316 -2.345 1.00 0.00 C ATOM 1146 O TYR A 42 -9.586 -7.253 -1.546 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.226 -6.752 -4.115 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.613 -6.646 -5.570 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.106 -5.641 -6.382 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.511 -7.546 -6.123 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.481 -5.542 -7.706 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.886 -7.455 -7.445 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.373 -6.449 -8.230 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.763 -6.345 -9.544 1.00 0.00 O ATOM 0 H TYR A 42 -9.484 -8.615 -4.145 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.373 -5.703 -4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.529 -7.731 -3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.787 -6.008 -3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.408 -4.926 -5.972 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.923 -8.331 -5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.077 -4.757 -8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.579 -8.170 -7.863 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.395 -7.063 -9.755 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.311 -5.063 -1.976 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.129 -4.701 -0.574 1.00 0.00 C ATOM 1166 C TRP A 43 -9.871 -3.410 -0.238 1.00 0.00 C ATOM 1167 O TRP A 43 -10.501 -2.798 -1.093 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.643 -4.515 -0.237 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.718 -5.491 -0.899 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.280 -5.458 -2.190 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.098 -6.629 -0.295 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.443 -6.518 -2.431 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.313 -7.249 -1.284 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.135 -7.190 0.983 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.570 -8.397 -1.038 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.395 -8.332 1.230 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.621 -8.924 0.221 1.00 0.00 C ATOM 0 H TRP A 43 -9.246 -4.280 -2.626 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.536 -5.520 0.019 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.345 -3.505 -0.520 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.518 -4.594 0.843 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.552 -4.707 -2.917 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.991 -6.726 -3.321 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.730 -6.741 1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.974 -8.856 -1.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.413 -8.775 2.215 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.053 -9.815 0.444 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.779 -3.012 1.023 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.308 -1.738 1.509 1.00 0.00 C ATOM 1190 C HIS A 44 -9.403 -1.260 2.640 1.00 0.00 C ATOM 1191 O HIS A 44 -8.425 -1.936 2.964 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.791 -1.837 1.973 1.00 0.00 C ATOM 1193 CG HIS A 44 -12.097 -3.013 2.851 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.955 -2.993 3.945 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.594 -4.256 2.800 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.911 -4.220 4.513 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -12.096 -4.995 3.836 1.00 0.00 N ATOM 0 H HIS A 44 -9.330 -3.569 1.749 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.311 -1.019 0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.051 -0.924 2.508 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.431 -1.883 1.092 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -13.514 -2.200 4.261 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.900 -4.617 2.056 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.464 -4.517 5.392 1.00 0.00 H new ATOM 1205 N SER A 45 -9.738 -0.127 3.241 1.00 0.00 N ATOM 1206 CA SER A 45 -8.863 0.558 4.196 1.00 0.00 C ATOM 1207 C SER A 45 -8.261 -0.360 5.273 1.00 0.00 C ATOM 1208 O SER A 45 -7.041 -0.407 5.432 1.00 0.00 O ATOM 1209 CB SER A 45 -9.644 1.696 4.848 1.00 0.00 C ATOM 1210 OG SER A 45 -10.815 1.987 4.098 1.00 0.00 O ATOM 0 H SER A 45 -10.626 0.349 3.083 1.00 0.00 H new ATOM 0 HA SER A 45 -8.011 0.937 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.916 1.421 5.867 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.017 2.585 4.914 1.00 0.00 H new ATOM 0 HG SER A 45 -11.306 2.717 4.529 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.107 -1.083 5.999 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.660 -1.836 7.177 1.00 0.00 C ATOM 1218 C ARG A 46 -7.944 -3.144 6.830 1.00 0.00 C ATOM 1219 O ARG A 46 -7.208 -3.675 7.660 1.00 0.00 O ATOM 1220 CB ARG A 46 -9.849 -2.118 8.105 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.654 -3.356 7.733 1.00 0.00 C ATOM 1222 CD ARG A 46 -10.525 -4.440 8.790 1.00 0.00 C ATOM 1223 NE ARG A 46 -10.102 -5.719 8.222 1.00 0.00 N ATOM 1224 CZ ARG A 46 -10.155 -6.880 8.874 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -10.679 -6.948 10.092 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -9.713 -7.984 8.283 1.00 0.00 N ATOM 0 H ARG A 46 -10.103 -1.167 5.798 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.928 -1.208 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.480 -2.231 9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.512 -1.253 8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.703 -3.087 7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.311 -3.740 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.805 -4.124 9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.482 -4.568 9.295 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.744 -5.723 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.046 -6.107 10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.715 -7.842 10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.336 -7.940 7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.750 -8.876 8.776 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.156 -3.676 5.633 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.537 -4.943 5.260 1.00 0.00 C ATOM 1242 C CYS A 47 -6.258 -4.720 4.465 1.00 0.00 C ATOM 1243 O CYS A 47 -5.294 -5.474 4.597 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.503 -5.793 4.451 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.726 -6.702 5.450 1.00 0.00 S ATOM 0 H CYS A 47 -8.744 -3.257 4.912 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.284 -5.468 6.181 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.032 -5.150 3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.931 -6.508 3.860 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.925 -6.331 5.111 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.254 -3.692 3.634 1.00 0.00 N ATOM 1251 CA LEU A 48 -5.074 -3.358 2.868 1.00 0.00 C ATOM 1252 C LEU A 48 -4.104 -2.595 3.751 1.00 0.00 C ATOM 1253 O LEU A 48 -4.145 -1.370 3.816 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.451 -2.525 1.640 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.576 -2.729 0.398 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.747 -1.485 0.135 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.677 -3.950 0.550 1.00 0.00 C ATOM 0 H LEU A 48 -7.053 -3.078 3.475 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.598 -4.275 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.484 -2.752 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.417 -1.471 1.916 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.231 -2.904 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.129 -1.640 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.409 -0.635 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.107 -1.286 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.069 -4.068 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.027 -3.818 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.292 -4.839 0.691 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.265 -3.331 4.465 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.307 -2.738 5.384 1.00 0.00 C ATOM 1271 C LYS A 49 -1.008 -3.528 5.394 1.00 0.00 C ATOM 1272 O LYS A 49 -0.897 -4.565 4.739 1.00 0.00 O ATOM 1273 CB LYS A 49 -2.883 -2.686 6.805 1.00 0.00 C ATOM 1274 CG LYS A 49 -3.963 -3.723 7.080 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.379 -5.046 7.550 1.00 0.00 C ATOM 1276 CE LYS A 49 -4.445 -6.126 7.621 1.00 0.00 C ATOM 1277 NZ LYS A 49 -3.860 -7.481 7.795 1.00 0.00 N ATOM 0 H LYS A 49 -3.229 -4.350 4.424 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.103 -1.723 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.071 -2.825 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.296 -1.693 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.648 -3.340 7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.547 -3.886 6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.587 -5.358 6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.924 -4.917 8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.120 -5.914 8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.043 -6.104 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.624 -8.186 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.236 -7.696 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.311 -7.511 8.677 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.031 -3.025 6.141 1.00 0.00 N ATOM 1292 CA CYS A 50 1.224 -3.727 6.338 1.00 0.00 C ATOM 1293 C CYS A 50 0.997 -4.929 7.249 1.00 0.00 C ATOM 1294 O CYS A 50 0.283 -4.830 8.244 1.00 0.00 O ATOM 1295 CB CYS A 50 2.267 -2.784 6.961 1.00 0.00 C ATOM 1296 SG CYS A 50 3.936 -3.500 7.140 1.00 0.00 S ATOM 0 H CYS A 50 -0.089 -2.127 6.621 1.00 0.00 H new ATOM 0 HA CYS A 50 1.597 -4.071 5.373 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.336 -1.886 6.348 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.913 -2.472 7.944 1.00 0.00 H new ATOM 0 HG CYS A 50 4.805 -2.544 7.282 1.00 0.00 H new ATOM 1301 N SER A 51 1.598 -6.055 6.913 1.00 0.00 N ATOM 1302 CA SER A 51 1.496 -7.242 7.751 1.00 0.00 C ATOM 1303 C SER A 51 2.458 -7.139 8.931 1.00 0.00 C ATOM 1304 O SER A 51 2.479 -7.998 9.814 1.00 0.00 O ATOM 1305 CB SER A 51 1.786 -8.509 6.939 1.00 0.00 C ATOM 1306 OG SER A 51 1.230 -8.432 5.635 1.00 0.00 O ATOM 0 H SER A 51 2.160 -6.176 6.070 1.00 0.00 H new ATOM 0 HA SER A 51 0.476 -7.306 8.131 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.863 -8.658 6.868 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.378 -9.376 7.458 1.00 0.00 H new ATOM 0 HG SER A 51 1.727 -7.773 5.106 1.00 0.00 H new ATOM 1312 N SER A 52 3.257 -6.081 8.933 1.00 0.00 N ATOM 1313 CA SER A 52 4.213 -5.844 9.999 1.00 0.00 C ATOM 1314 C SER A 52 3.793 -4.644 10.846 1.00 0.00 C ATOM 1315 O SER A 52 3.957 -4.643 12.067 1.00 0.00 O ATOM 1316 CB SER A 52 5.602 -5.620 9.402 1.00 0.00 C ATOM 1317 OG SER A 52 5.586 -5.841 8.000 1.00 0.00 O ATOM 0 H SER A 52 3.259 -5.370 8.202 1.00 0.00 H new ATOM 0 HA SER A 52 4.241 -6.719 10.648 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.934 -4.603 9.611 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.319 -6.292 9.873 1.00 0.00 H new ATOM 0 HG SER A 52 5.438 -4.990 7.536 1.00 0.00 H new ATOM 1323 N CYS A 53 3.243 -3.623 10.195 1.00 0.00 N ATOM 1324 CA CYS A 53 2.774 -2.435 10.899 1.00 0.00 C ATOM 1325 C CYS A 53 1.311 -2.573 11.298 1.00 0.00 C ATOM 1326 O CYS A 53 0.898 -2.076 12.345 1.00 0.00 O ATOM 1327 CB CYS A 53 2.926 -1.193 10.016 1.00 0.00 C ATOM 1328 SG CYS A 53 4.644 -0.685 9.710 1.00 0.00 S ATOM 0 H CYS A 53 3.112 -3.595 9.184 1.00 0.00 H new ATOM 0 HA CYS A 53 3.382 -2.329 11.797 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.442 -1.383 9.058 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.394 -0.364 10.483 1.00 0.00 H new ATOM 0 HG CYS A 53 5.323 -1.699 9.262 1.00 0.00 H new ATOM 1333 N GLN A 54 0.544 -3.240 10.438 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.913 -3.300 10.546 1.00 0.00 C ATOM 1335 C GLN A 54 -1.524 -1.924 10.311 1.00 0.00 C ATOM 1336 O GLN A 54 -2.725 -1.724 10.505 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.359 -3.862 11.893 1.00 0.00 C ATOM 1338 CG GLN A 54 -1.752 -5.321 11.819 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.235 -5.524 11.548 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -3.914 -4.490 11.061 1.00 0.00 O flip ATOM 1341 NE2 GLN A 54 -3.771 -6.607 11.774 1.00 0.00 N flip ATOM 0 H GLN A 54 0.918 -3.757 9.642 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.271 -3.980 9.773 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.552 -3.744 12.616 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.204 -3.281 12.262 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.175 -5.808 11.033 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.489 -5.810 12.757 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.221 -7.380 12.148 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.766 -6.732 11.588 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.690 -0.991 9.867 1.00 0.00 N ATOM 1351 CA ALA A 55 -1.136 0.352 9.559 1.00 0.00 C ATOM 1352 C ALA A 55 -1.919 0.337 8.263 1.00 0.00 C ATOM 1353 O ALA A 55 -1.405 -0.106 7.240 1.00 0.00 O ATOM 1354 CB ALA A 55 0.053 1.296 9.454 1.00 0.00 C ATOM 0 H ALA A 55 0.306 -1.147 9.713 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.781 0.709 10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.300 2.301 9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.591 1.310 10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.720 0.954 8.663 1.00 0.00 H new ATOM 1360 N GLN A 56 -3.162 0.794 8.324 1.00 0.00 N ATOM 1361 CA GLN A 56 -4.056 0.773 7.175 1.00 0.00 C ATOM 1362 C GLN A 56 -3.431 1.483 5.978 1.00 0.00 C ATOM 1363 O GLN A 56 -3.416 2.710 5.904 1.00 0.00 O ATOM 1364 CB GLN A 56 -5.390 1.414 7.550 1.00 0.00 C ATOM 1365 CG GLN A 56 -6.187 0.599 8.562 1.00 0.00 C ATOM 1366 CD GLN A 56 -7.545 1.196 8.884 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -7.847 2.342 8.301 1.00 0.00 O flip ATOM 1368 NE2 GLN A 56 -8.320 0.625 9.651 1.00 0.00 N flip ATOM 0 H GLN A 56 -3.578 1.188 9.168 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.229 -0.264 6.887 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.206 2.408 7.958 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.988 1.546 6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.325 -0.411 8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.610 0.512 9.482 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.051 -0.259 10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.231 1.036 9.855 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.927 0.694 5.041 1.00 0.00 N ATOM 1378 CA LEU A 57 -2.240 1.218 3.868 1.00 0.00 C ATOM 1379 C LEU A 57 -3.228 1.927 2.950 1.00 0.00 C ATOM 1380 O LEU A 57 -2.851 2.796 2.166 1.00 0.00 O ATOM 1381 CB LEU A 57 -1.561 0.072 3.109 1.00 0.00 C ATOM 1382 CG LEU A 57 -0.045 -0.054 3.278 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.401 0.341 4.676 1.00 0.00 C ATOM 1384 CD2 LEU A 57 0.400 -1.473 2.968 1.00 0.00 C ATOM 0 H LEU A 57 -2.982 -0.324 5.071 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.485 1.934 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.019 -0.865 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.777 0.190 2.047 1.00 0.00 H new ATOM 0 HG LEU A 57 0.424 0.634 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.483 0.238 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.120 1.376 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.080 -0.308 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.480 -1.551 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.094 -2.166 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.133 -1.722 1.941 1.00 0.00 H new ATOM 1396 N GLY A 58 -4.500 1.564 3.077 1.00 0.00 N ATOM 1397 CA GLY A 58 -5.543 2.208 2.305 1.00 0.00 C ATOM 1398 C GLY A 58 -5.944 3.542 2.901 1.00 0.00 C ATOM 1399 O GLY A 58 -6.678 4.314 2.284 1.00 0.00 O ATOM 0 H GLY A 58 -4.827 0.830 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.198 2.356 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.415 1.555 2.256 1.00 0.00 H new ATOM 1403 N ASP A 59 -5.463 3.807 4.109 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.736 5.068 4.790 1.00 0.00 C ATOM 1405 C ASP A 59 -4.546 6.003 4.656 1.00 0.00 C ATOM 1406 O ASP A 59 -4.530 7.103 5.202 1.00 0.00 O ATOM 1407 CB ASP A 59 -6.052 4.823 6.270 1.00 0.00 C ATOM 1408 CG ASP A 59 -7.263 5.599 6.753 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -7.259 6.844 6.664 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -8.229 4.966 7.230 1.00 0.00 O ATOM 0 H ASP A 59 -4.878 3.162 4.641 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.605 5.533 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.223 3.758 6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.186 5.100 6.872 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.555 5.545 3.917 1.00 0.00 N ATOM 1416 CA ILE A 60 -2.326 6.299 3.718 1.00 0.00 C ATOM 1417 C ILE A 60 -2.017 6.446 2.236 1.00 0.00 C ATOM 1418 O ILE A 60 -1.694 7.533 1.751 1.00 0.00 O ATOM 1419 CB ILE A 60 -1.132 5.619 4.422 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.422 5.434 5.916 1.00 0.00 C ATOM 1421 CG2 ILE A 60 0.140 6.429 4.217 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.389 4.595 6.643 1.00 0.00 C ATOM 0 H ILE A 60 -3.575 4.645 3.438 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.477 7.286 4.155 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.986 4.634 3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.478 6.414 6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.401 4.968 6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.971 5.935 4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.355 6.506 3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.006 7.428 4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.664 4.510 7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.348 3.601 6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.589 5.070 6.561 1.00 0.00 H new ATOM 1434 N GLY A 61 -2.127 5.342 1.531 1.00 0.00 N ATOM 1435 CA GLY A 61 -1.862 5.328 0.108 1.00 0.00 C ATOM 1436 C GLY A 61 -0.422 4.973 -0.187 1.00 0.00 C ATOM 1437 O GLY A 61 0.103 5.289 -1.258 1.00 0.00 O ATOM 0 H GLY A 61 -2.399 4.439 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.521 4.609 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.090 6.306 -0.315 1.00 0.00 H new ATOM 1441 N THR A 62 0.211 4.315 0.769 1.00 0.00 N ATOM 1442 CA THR A 62 1.605 3.931 0.655 1.00 0.00 C ATOM 1443 C THR A 62 1.793 2.829 -0.382 1.00 0.00 C ATOM 1444 O THR A 62 1.118 1.799 -0.337 1.00 0.00 O ATOM 1445 CB THR A 62 2.135 3.441 2.014 1.00 0.00 C ATOM 1446 OG1 THR A 62 1.046 3.319 2.943 1.00 0.00 O ATOM 1447 CG2 THR A 62 3.181 4.397 2.570 1.00 0.00 C ATOM 0 H THR A 62 -0.228 4.033 1.645 1.00 0.00 H new ATOM 0 HA THR A 62 2.164 4.811 0.336 1.00 0.00 H new ATOM 0 HB THR A 62 2.604 2.468 1.869 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.386 3.005 3.807 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.538 4.027 3.531 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.017 4.466 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.738 5.384 2.704 1.00 0.00 H new ATOM 1455 N SER A 63 2.699 3.060 -1.320 1.00 0.00 N ATOM 1456 CA SER A 63 3.050 2.060 -2.312 1.00 0.00 C ATOM 1457 C SER A 63 3.872 0.946 -1.663 1.00 0.00 C ATOM 1458 O SER A 63 5.099 1.016 -1.601 1.00 0.00 O ATOM 1459 CB SER A 63 3.832 2.726 -3.450 1.00 0.00 C ATOM 1460 OG SER A 63 3.724 4.143 -3.371 1.00 0.00 O ATOM 0 H SER A 63 3.207 3.939 -1.413 1.00 0.00 H new ATOM 0 HA SER A 63 2.143 1.616 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.880 2.433 -3.398 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.451 2.380 -4.411 1.00 0.00 H new ATOM 0 HG SER A 63 4.231 4.551 -4.104 1.00 0.00 H new ATOM 1466 N SER A 64 3.177 -0.060 -1.151 1.00 0.00 N ATOM 1467 CA SER A 64 3.810 -1.167 -0.452 1.00 0.00 C ATOM 1468 C SER A 64 4.489 -2.132 -1.425 1.00 0.00 C ATOM 1469 O SER A 64 4.325 -2.024 -2.644 1.00 0.00 O ATOM 1470 CB SER A 64 2.751 -1.900 0.365 1.00 0.00 C ATOM 1471 OG SER A 64 1.454 -1.453 0.006 1.00 0.00 O ATOM 0 H SER A 64 2.161 -0.131 -1.209 1.00 0.00 H new ATOM 0 HA SER A 64 4.585 -0.771 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.832 -2.974 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.920 -1.730 1.428 1.00 0.00 H new ATOM 0 HG SER A 64 1.264 -0.604 0.457 1.00 0.00 H new ATOM 1477 N TYR A 65 5.244 -3.077 -0.879 1.00 0.00 N ATOM 1478 CA TYR A 65 5.958 -4.057 -1.687 1.00 0.00 C ATOM 1479 C TYR A 65 5.707 -5.459 -1.148 1.00 0.00 C ATOM 1480 O TYR A 65 5.126 -5.628 -0.073 1.00 0.00 O ATOM 1481 CB TYR A 65 7.464 -3.765 -1.688 1.00 0.00 C ATOM 1482 CG TYR A 65 7.843 -2.487 -2.402 1.00 0.00 C ATOM 1483 CD1 TYR A 65 7.793 -1.264 -1.749 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.249 -2.506 -3.729 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.133 -0.094 -2.397 1.00 0.00 C ATOM 1486 CE2 TYR A 65 8.593 -1.341 -4.384 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.535 -0.138 -3.717 1.00 0.00 C ATOM 1488 OH TYR A 65 8.871 1.026 -4.374 1.00 0.00 O ATOM 0 H TYR A 65 5.378 -3.185 0.126 1.00 0.00 H new ATOM 0 HA TYR A 65 5.589 -3.992 -2.711 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.814 -3.710 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.985 -4.599 -2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.483 -1.227 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.296 -3.447 -4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.085 0.850 -1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.907 -1.373 -5.417 1.00 0.00 H new ATOM 0 HH TYR A 65 9.541 0.832 -5.062 1.00 0.00 H new ATOM 1498 N THR A 66 6.138 -6.461 -1.894 1.00 0.00 N ATOM 1499 CA THR A 66 5.993 -7.834 -1.464 1.00 0.00 C ATOM 1500 C THR A 66 7.172 -8.673 -1.939 1.00 0.00 C ATOM 1501 O THR A 66 8.084 -8.169 -2.594 1.00 0.00 O ATOM 1502 CB THR A 66 4.665 -8.447 -1.968 1.00 0.00 C ATOM 1503 OG1 THR A 66 4.361 -9.639 -1.228 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.734 -8.766 -3.456 1.00 0.00 C ATOM 0 H THR A 66 6.591 -6.346 -2.801 1.00 0.00 H new ATOM 0 HA THR A 66 5.974 -7.837 -0.374 1.00 0.00 H new ATOM 0 HB THR A 66 3.875 -7.712 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.087 -9.398 -0.318 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.786 -9.195 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.928 -7.851 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.537 -9.480 -3.638 1.00 0.00 H new ATOM 1512 N LYS A 67 7.142 -9.948 -1.591 1.00 0.00 N ATOM 1513 CA LYS A 67 8.189 -10.879 -1.972 1.00 0.00 C ATOM 1514 C LYS A 67 7.722 -12.305 -1.732 1.00 0.00 C ATOM 1515 O LYS A 67 7.560 -13.086 -2.664 1.00 0.00 O ATOM 1516 CB LYS A 67 9.467 -10.608 -1.177 1.00 0.00 C ATOM 1517 CG LYS A 67 10.727 -11.087 -1.876 1.00 0.00 C ATOM 1518 CD LYS A 67 11.877 -11.242 -0.898 1.00 0.00 C ATOM 1519 CE LYS A 67 13.181 -11.535 -1.617 1.00 0.00 C ATOM 1520 NZ LYS A 67 13.509 -10.488 -2.619 1.00 0.00 N ATOM 0 H LYS A 67 6.393 -10.366 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 67 8.406 -10.744 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.549 -9.537 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.392 -11.096 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.533 -12.041 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.004 -10.378 -2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.981 -10.330 -0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.656 -12.049 -0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.989 -11.606 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.112 -12.503 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.479 -10.631 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.844 -10.550 -3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.434 -9.549 -2.178 1.00 0.00 H new ATOM 1534 N SER A 68 7.481 -12.626 -0.474 1.00 0.00 N ATOM 1535 CA SER A 68 7.045 -13.960 -0.097 1.00 0.00 C ATOM 1536 C SER A 68 5.549 -13.985 0.219 1.00 0.00 C ATOM 1537 O SER A 68 5.105 -14.682 1.133 1.00 0.00 O ATOM 1538 CB SER A 68 7.858 -14.430 1.110 1.00 0.00 C ATOM 1539 OG SER A 68 9.029 -13.640 1.257 1.00 0.00 O ATOM 0 H SER A 68 7.580 -11.979 0.308 1.00 0.00 H new ATOM 0 HA SER A 68 7.212 -14.636 -0.935 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.251 -14.364 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.132 -15.478 0.986 1.00 0.00 H new ATOM 0 HG SER A 68 9.145 -13.400 2.200 1.00 0.00 H new ATOM 1545 N GLY A 69 4.776 -13.205 -0.531 1.00 0.00 N ATOM 1546 CA GLY A 69 3.333 -13.183 -0.351 1.00 0.00 C ATOM 1547 C GLY A 69 2.881 -12.195 0.709 1.00 0.00 C ATOM 1548 O GLY A 69 1.748 -11.720 0.678 1.00 0.00 O ATOM 0 H GLY A 69 5.124 -12.585 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.858 -12.932 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.991 -14.181 -0.078 1.00 0.00 H new ATOM 1552 N MET A 70 3.768 -11.881 1.642 1.00 0.00 N ATOM 1553 CA MET A 70 3.447 -10.955 2.723 1.00 0.00 C ATOM 1554 C MET A 70 3.399 -9.523 2.207 1.00 0.00 C ATOM 1555 O MET A 70 4.237 -9.120 1.401 1.00 0.00 O ATOM 1556 CB MET A 70 4.485 -11.069 3.841 1.00 0.00 C ATOM 1557 CG MET A 70 3.894 -10.963 5.239 1.00 0.00 C ATOM 1558 SD MET A 70 4.008 -12.511 6.160 1.00 0.00 S ATOM 1559 CE MET A 70 5.778 -12.808 6.112 1.00 0.00 C ATOM 0 H MET A 70 4.717 -12.253 1.674 1.00 0.00 H new ATOM 0 HA MET A 70 2.465 -11.217 3.118 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.004 -12.023 3.747 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.232 -10.286 3.712 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.412 -10.178 5.790 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.848 -10.664 5.166 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.083 -13.337 7.015 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.022 -13.411 5.238 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.305 -11.856 6.054 1.00 0.00 H new ATOM 1569 N ILE A 71 2.415 -8.765 2.669 1.00 0.00 N ATOM 1570 CA ILE A 71 2.267 -7.373 2.266 1.00 0.00 C ATOM 1571 C ILE A 71 2.948 -6.464 3.277 1.00 0.00 C ATOM 1572 O ILE A 71 2.475 -6.316 4.402 1.00 0.00 O ATOM 1573 CB ILE A 71 0.781 -6.964 2.148 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.075 -8.149 1.689 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.628 -5.791 1.189 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.284 -8.400 2.563 1.00 0.00 C ATOM 0 H ILE A 71 1.705 -9.091 3.325 1.00 0.00 H new ATOM 0 HA ILE A 71 2.733 -7.267 1.286 1.00 0.00 H new ATOM 0 HB ILE A 71 0.432 -6.655 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.408 -7.971 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.543 -9.047 1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.424 -5.515 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.202 -4.941 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.997 -6.076 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.841 -9.253 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.959 -8.610 3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.924 -7.518 2.561 1.00 0.00 H new ATOM 1588 N LEU A 72 4.060 -5.869 2.888 1.00 0.00 N ATOM 1589 CA LEU A 72 4.811 -5.012 3.791 1.00 0.00 C ATOM 1590 C LEU A 72 4.884 -3.599 3.238 1.00 0.00 C ATOM 1591 O LEU A 72 4.869 -3.404 2.019 1.00 0.00 O ATOM 1592 CB LEU A 72 6.220 -5.563 4.010 1.00 0.00 C ATOM 1593 CG LEU A 72 6.352 -7.080 3.873 1.00 0.00 C ATOM 1594 CD1 LEU A 72 7.577 -7.434 3.046 1.00 0.00 C ATOM 1595 CD2 LEU A 72 6.418 -7.735 5.244 1.00 0.00 C ATOM 0 H LEU A 72 4.464 -5.962 1.956 1.00 0.00 H new ATOM 0 HA LEU A 72 4.294 -4.990 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.894 -5.089 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.556 -5.273 5.006 1.00 0.00 H new ATOM 0 HG LEU A 72 5.470 -7.460 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.656 -8.518 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.484 -6.995 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.470 -7.043 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.512 -8.815 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.281 -7.353 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.508 -7.508 5.800 1.00 0.00 H new ATOM 1607 N CYS A 73 4.951 -2.616 4.131 1.00 0.00 N ATOM 1608 CA CYS A 73 5.040 -1.227 3.718 1.00 0.00 C ATOM 1609 C CYS A 73 6.352 -0.956 2.979 1.00 0.00 C ATOM 1610 O CYS A 73 7.253 -1.800 2.955 1.00 0.00 O ATOM 1611 CB CYS A 73 4.884 -0.285 4.924 1.00 0.00 C ATOM 1612 SG CYS A 73 6.181 -0.439 6.196 1.00 0.00 S ATOM 0 H CYS A 73 4.945 -2.759 5.141 1.00 0.00 H new ATOM 0 HA CYS A 73 4.220 -1.030 3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.871 0.743 4.563 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.916 -0.472 5.389 1.00 0.00 H new ATOM 0 HG CYS A 73 5.629 -0.539 7.369 1.00 0.00 H new ATOM 1617 N ARG A 74 6.437 0.228 2.384 1.00 0.00 N ATOM 1618 CA ARG A 74 7.589 0.639 1.587 1.00 0.00 C ATOM 1619 C ARG A 74 8.901 0.401 2.328 1.00 0.00 C ATOM 1620 O ARG A 74 9.835 -0.196 1.791 1.00 0.00 O ATOM 1621 CB ARG A 74 7.458 2.122 1.233 1.00 0.00 C ATOM 1622 CG ARG A 74 7.811 2.452 -0.205 1.00 0.00 C ATOM 1623 CD ARG A 74 7.494 3.904 -0.534 1.00 0.00 C ATOM 1624 NE ARG A 74 8.529 4.809 -0.042 1.00 0.00 N ATOM 1625 CZ ARG A 74 8.557 6.119 -0.281 1.00 0.00 C ATOM 1626 NH1 ARG A 74 7.566 6.697 -0.950 1.00 0.00 N ATOM 1627 NH2 ARG A 74 9.570 6.847 0.173 1.00 0.00 N ATOM 0 H ARG A 74 5.704 0.935 2.441 1.00 0.00 H new ATOM 0 HA ARG A 74 7.606 0.036 0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.434 2.441 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.102 2.700 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.871 2.262 -0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.258 1.796 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.394 4.019 -1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.534 4.175 -0.094 1.00 0.00 H new ATOM 0 HE ARG A 74 9.280 4.412 0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.781 6.137 -1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.590 7.700 -1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.321 6.403 0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.598 7.851 -0.007 1.00 0.00 H new ATOM 1641 N ASN A 75 8.953 0.860 3.568 1.00 0.00 N ATOM 1642 CA ASN A 75 10.167 0.781 4.370 1.00 0.00 C ATOM 1643 C ASN A 75 10.359 -0.620 4.945 1.00 0.00 C ATOM 1644 O ASN A 75 11.489 -1.096 5.075 1.00 0.00 O ATOM 1645 CB ASN A 75 10.116 1.819 5.498 1.00 0.00 C ATOM 1646 CG ASN A 75 11.174 1.607 6.566 1.00 0.00 C ATOM 1647 OD1 ASN A 75 12.367 1.814 6.333 1.00 0.00 O ATOM 1648 ND2 ASN A 75 10.741 1.216 7.756 1.00 0.00 N ATOM 0 H ASN A 75 8.163 1.295 4.045 1.00 0.00 H new ATOM 0 HA ASN A 75 11.018 0.996 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.237 2.814 5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.131 1.790 5.963 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.403 1.076 8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.745 1.055 7.909 1.00 0.00 H new ATOM 1655 N ASP A 76 9.256 -1.286 5.267 1.00 0.00 N ATOM 1656 CA ASP A 76 9.321 -2.580 5.942 1.00 0.00 C ATOM 1657 C ASP A 76 9.916 -3.652 5.052 1.00 0.00 C ATOM 1658 O ASP A 76 10.673 -4.492 5.523 1.00 0.00 O ATOM 1659 CB ASP A 76 7.946 -3.031 6.420 1.00 0.00 C ATOM 1660 CG ASP A 76 7.919 -3.277 7.914 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.860 -3.926 8.435 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.973 -2.813 8.584 1.00 0.00 O ATOM 0 H ASP A 76 8.311 -0.955 5.074 1.00 0.00 H new ATOM 0 HA ASP A 76 9.971 -2.442 6.806 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.206 -2.273 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.661 -3.944 5.897 1.00 0.00 H new ATOM 1667 N TYR A 77 9.584 -3.629 3.768 1.00 0.00 N ATOM 1668 CA TYR A 77 10.099 -4.635 2.846 1.00 0.00 C ATOM 1669 C TYR A 77 11.628 -4.623 2.826 1.00 0.00 C ATOM 1670 O TYR A 77 12.262 -5.678 2.861 1.00 0.00 O ATOM 1671 CB TYR A 77 9.562 -4.425 1.426 1.00 0.00 C ATOM 1672 CG TYR A 77 10.239 -5.315 0.408 1.00 0.00 C ATOM 1673 CD1 TYR A 77 10.286 -6.692 0.591 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.853 -4.779 -0.718 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.920 -7.509 -0.322 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.494 -5.592 -1.633 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.524 -6.956 -1.431 1.00 0.00 C ATOM 1678 OH TYR A 77 12.170 -7.771 -2.332 1.00 0.00 O ATOM 0 H TYR A 77 8.968 -2.935 3.344 1.00 0.00 H new ATOM 0 HA TYR A 77 9.754 -5.605 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.489 -4.619 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.701 -3.382 1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.819 -7.129 1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.829 -3.711 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.943 -8.578 -0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.969 -5.162 -2.502 1.00 0.00 H new ATOM 0 HH TYR A 77 13.139 -7.678 -2.221 1.00 0.00 H new ATOM 1688 N ILE A 78 12.208 -3.429 2.788 1.00 0.00 N ATOM 1689 CA ILE A 78 13.658 -3.285 2.739 1.00 0.00 C ATOM 1690 C ILE A 78 14.288 -3.740 4.052 1.00 0.00 C ATOM 1691 O ILE A 78 15.371 -4.330 4.070 1.00 0.00 O ATOM 1692 CB ILE A 78 14.079 -1.825 2.455 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.111 -1.157 1.474 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.498 -1.782 1.907 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.077 0.350 1.595 1.00 0.00 C ATOM 0 H ILE A 78 11.696 -2.547 2.790 1.00 0.00 H new ATOM 0 HA ILE A 78 14.013 -3.914 1.923 1.00 0.00 H new ATOM 0 HB ILE A 78 14.047 -1.273 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.394 -1.426 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.108 -1.550 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.781 -0.748 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.183 -2.214 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.547 -2.353 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.371 0.757 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.765 0.627 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.071 0.753 1.399 1.00 0.00 H new ATOM 1707 N ARG A 79 13.593 -3.472 5.147 1.00 0.00 N ATOM 1708 CA ARG A 79 14.069 -3.839 6.473 1.00 0.00 C ATOM 1709 C ARG A 79 13.904 -5.336 6.714 1.00 0.00 C ATOM 1710 O ARG A 79 14.736 -5.967 7.363 1.00 0.00 O ATOM 1711 CB ARG A 79 13.303 -3.050 7.538 1.00 0.00 C ATOM 1712 CG ARG A 79 14.120 -2.745 8.782 1.00 0.00 C ATOM 1713 CD ARG A 79 13.644 -3.555 9.977 1.00 0.00 C ATOM 1714 NE ARG A 79 13.935 -4.978 9.826 1.00 0.00 N ATOM 1715 CZ ARG A 79 13.561 -5.914 10.689 1.00 0.00 C ATOM 1716 NH1 ARG A 79 12.903 -5.593 11.795 1.00 0.00 N ATOM 1717 NH2 ARG A 79 13.851 -7.181 10.448 1.00 0.00 N ATOM 0 H ARG A 79 12.690 -2.998 5.143 1.00 0.00 H new ATOM 0 HA ARG A 79 15.130 -3.596 6.538 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.957 -2.112 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.416 -3.614 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 79 15.171 -2.962 8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.051 -1.682 9.012 1.00 0.00 H new ATOM 0 HD2 ARG A 79 14.123 -3.181 10.882 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.570 -3.416 10.104 1.00 0.00 H new ATOM 0 HE ARG A 79 14.461 -5.272 9.003 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.679 -4.617 11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.621 -6.322 12.450 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.360 -7.436 9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.566 -7.904 11.108 1.00 0.00 H new ATOM 1731 N LEU A 80 12.821 -5.894 6.198 1.00 0.00 N ATOM 1732 CA LEU A 80 12.486 -7.289 6.440 1.00 0.00 C ATOM 1733 C LEU A 80 13.228 -8.227 5.493 1.00 0.00 C ATOM 1734 O LEU A 80 14.003 -9.075 5.933 1.00 0.00 O ATOM 1735 CB LEU A 80 10.976 -7.497 6.300 1.00 0.00 C ATOM 1736 CG LEU A 80 10.301 -8.165 7.502 1.00 0.00 C ATOM 1737 CD1 LEU A 80 8.983 -7.481 7.832 1.00 0.00 C ATOM 1738 CD2 LEU A 80 10.078 -9.645 7.243 1.00 0.00 C ATOM 0 H LEU A 80 12.155 -5.399 5.605 1.00 0.00 H new ATOM 0 HA LEU A 80 12.798 -7.530 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.505 -6.529 6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.788 -8.103 5.414 1.00 0.00 H new ATOM 0 HG LEU A 80 10.966 -8.062 8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.522 -7.973 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.166 -6.433 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.314 -7.546 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.598 -10.098 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.439 -9.769 6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.037 -10.132 7.064 1.00 0.00 H new ATOM 1750 N PHE A 81 12.998 -8.078 4.198 1.00 0.00 N ATOM 1751 CA PHE A 81 13.560 -9.003 3.226 1.00 0.00 C ATOM 1752 C PHE A 81 14.699 -8.366 2.434 1.00 0.00 C ATOM 1753 O PHE A 81 15.860 -8.430 2.838 1.00 0.00 O ATOM 1754 CB PHE A 81 12.470 -9.504 2.276 1.00 0.00 C ATOM 1755 CG PHE A 81 11.445 -10.373 2.943 1.00 0.00 C ATOM 1756 CD1 PHE A 81 11.684 -11.724 3.147 1.00 0.00 C ATOM 1757 CD2 PHE A 81 10.241 -9.838 3.364 1.00 0.00 C ATOM 1758 CE1 PHE A 81 10.738 -12.523 3.761 1.00 0.00 C ATOM 1759 CE2 PHE A 81 9.290 -10.631 3.977 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.539 -11.974 4.177 1.00 0.00 C ATOM 0 H PHE A 81 12.430 -7.331 3.797 1.00 0.00 H new ATOM 0 HA PHE A 81 13.971 -9.850 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.970 -8.647 1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.936 -10.063 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.619 -12.156 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.042 -8.788 3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.935 -13.574 3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.353 -10.201 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.798 -12.595 4.658 1.00 0.00 H new ATOM 1770 N GLY A 82 14.363 -7.758 1.306 1.00 0.00 N ATOM 1771 CA GLY A 82 15.376 -7.210 0.432 1.00 0.00 C ATOM 1772 C GLY A 82 15.575 -8.076 -0.791 1.00 0.00 C ATOM 1773 O GLY A 82 14.577 -8.365 -1.481 1.00 0.00 O ATOM 1774 OXT GLY A 82 16.722 -8.500 -1.048 1.00 0.00 O ATOM 0 H GLY A 82 13.404 -7.635 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.089 -6.204 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.317 -7.121 0.974 1.00 0.00 H new