USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 664 SER OG : rot 180:sc= 0.0895 USER MOD Set 1.2: A 665 GLN : amide:sc= 0 X(o=0.089,f=0.0014) USER MOD Set 2.1: A 67 LYS NZ :NH3+ 148:sc= 1.88 (180deg=-0.584!) USER MOD Set 2.2: A 666 TYR OH : rot 130:sc= 0.721 USER MOD Set 3.1: A 50 CYS SG : rot -174:sc= 3.17 USER MOD Set 3.2: A 52 SER OG : rot 73:sc= -0.282! USER MOD Set 3.3: A 53 CYS SG : rot 124:sc= 0.52 USER MOD Set 3.4: A 73 CYS SG : rot 49:sc= -1.25! USER MOD Set 4.1: A 39 MET CE :methyl -135:sc= -0.0498 (180deg=-0.433) USER MOD Set 4.2: A 668 MET CE :methyl -152:sc= -2.57! (180deg=-3.82!) USER MOD Set 5.1: A 37 TYR OH : rot 93:sc= 0.703 USER MOD Set 5.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 23 CYS SG : rot -159:sc= 1.38 USER MOD Set 6.2: A 26 CYS SG : rot -27:sc= -0.166! USER MOD Set 6.3: A 44 HIS : no HE2:sc= -2.58! C(o=-3.1!,f=-9.9!) USER MOD Set 6.4: A 47 CYS SG : rot 150:sc= -1.74! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 112:sc= 1.35 USER MOD Single : A 45 SER OG : rot 180:sc= 0.172 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 1.32 (180deg=1.22) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.359 F(o=-0.96,f=-0.36) USER MOD Single : A 56 GLN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 64 SER OG : rot 180:sc= 0.157 USER MOD Single : A 65 TYR OH : rot 0:sc= 0.958 USER MOD Single : A 66 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 68 SER OG : rot 116:sc= 0.343 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0835 X(o=-0.084,f=-0.067) USER MOD Single : A 77 TYR OH : rot -112:sc= 0.552 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot 180:sc= -0.0372 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 13.118 -2.014 -6.555 1.00 0.00 N ATOM 327 CA LEU A 663 11.903 -2.777 -6.291 1.00 0.00 C ATOM 328 C LEU A 663 10.734 -2.267 -7.129 1.00 0.00 C ATOM 329 O LEU A 663 9.649 -2.016 -6.610 1.00 0.00 O ATOM 330 CB LEU A 663 11.545 -2.717 -4.802 1.00 0.00 C ATOM 331 CG LEU A 663 12.732 -2.664 -3.837 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.346 -1.934 -2.561 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.230 -4.066 -3.517 1.00 0.00 C ATOM 0 HA LEU A 663 12.096 -3.813 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.922 -1.839 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 663 10.940 -3.590 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 663 13.541 -2.116 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.201 -1.905 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.040 -0.916 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.520 -2.457 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.074 -4.004 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 663 12.427 -4.641 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 663 13.546 -4.558 -4.437 1.00 0.00 H new ATOM 345 N SER A 664 10.962 -2.126 -8.427 1.00 0.00 N ATOM 346 CA SER A 664 9.930 -1.663 -9.345 1.00 0.00 C ATOM 347 C SER A 664 8.823 -2.703 -9.482 1.00 0.00 C ATOM 348 O SER A 664 7.648 -2.409 -9.281 1.00 0.00 O ATOM 349 CB SER A 664 10.547 -1.388 -10.709 1.00 0.00 C ATOM 350 OG SER A 664 11.699 -2.191 -10.901 1.00 0.00 O ATOM 0 H SER A 664 11.858 -2.327 -8.871 1.00 0.00 H new ATOM 0 HA SER A 664 9.496 -0.746 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 664 9.818 -1.593 -11.493 1.00 0.00 H new ATOM 0 HB3 SER A 664 10.813 -0.334 -10.789 1.00 0.00 H new ATOM 0 HG SER A 664 12.084 -2.005 -11.783 1.00 0.00 H new ATOM 356 N GLN A 665 9.222 -3.927 -9.809 1.00 0.00 N ATOM 357 CA GLN A 665 8.280 -5.026 -9.993 1.00 0.00 C ATOM 358 C GLN A 665 7.704 -5.474 -8.657 1.00 0.00 C ATOM 359 O GLN A 665 6.697 -6.175 -8.605 1.00 0.00 O ATOM 360 CB GLN A 665 8.968 -6.208 -10.684 1.00 0.00 C ATOM 361 CG GLN A 665 10.122 -5.805 -11.590 1.00 0.00 C ATOM 362 CD GLN A 665 9.660 -5.376 -12.969 1.00 0.00 C ATOM 363 OE1 GLN A 665 8.973 -6.120 -13.667 1.00 0.00 O ATOM 364 NE2 GLN A 665 10.041 -4.177 -13.374 1.00 0.00 N ATOM 0 H GLN A 665 10.198 -4.185 -9.953 1.00 0.00 H new ATOM 0 HA GLN A 665 7.464 -4.670 -10.622 1.00 0.00 H new ATOM 0 HB2 GLN A 665 9.339 -6.895 -9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 665 8.230 -6.752 -11.273 1.00 0.00 H new ATOM 0 HG2 GLN A 665 10.675 -4.988 -11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 665 10.812 -6.643 -11.687 1.00 0.00 H new ATOM 0 HE21 GLN A 665 10.611 -3.590 -12.765 1.00 0.00 H new ATOM 0 HE22 GLN A 665 9.765 -3.839 -14.296 1.00 0.00 H new ATOM 373 N TYR A 666 8.350 -5.054 -7.580 1.00 0.00 N ATOM 374 CA TYR A 666 7.913 -5.407 -6.239 1.00 0.00 C ATOM 375 C TYR A 666 6.872 -4.414 -5.731 1.00 0.00 C ATOM 376 O TYR A 666 6.194 -4.666 -4.736 1.00 0.00 O ATOM 377 CB TYR A 666 9.108 -5.436 -5.285 1.00 0.00 C ATOM 378 CG TYR A 666 9.900 -6.722 -5.323 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.307 -7.921 -5.695 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.243 -6.737 -4.971 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.028 -9.095 -5.718 1.00 0.00 C ATOM 382 CE2 TYR A 666 11.972 -7.909 -4.989 1.00 0.00 C ATOM 383 CZ TYR A 666 11.358 -9.085 -5.364 1.00 0.00 C ATOM 384 OH TYR A 666 12.075 -10.260 -5.371 1.00 0.00 O ATOM 0 H TYR A 666 9.183 -4.466 -7.610 1.00 0.00 H new ATOM 0 HA TYR A 666 7.460 -6.398 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.772 -4.606 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.751 -5.272 -4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.263 -7.934 -5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.725 -5.816 -4.678 1.00 0.00 H new ATOM 0 HE1 TYR A 666 9.552 -10.019 -6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.016 -7.905 -4.711 1.00 0.00 H new ATOM 0 HH TYR A 666 12.908 -10.132 -5.871 1.00 0.00 H new ATOM 394 N LYS A 667 6.762 -3.285 -6.418 1.00 0.00 N ATOM 395 CA LYS A 667 5.829 -2.238 -6.030 1.00 0.00 C ATOM 396 C LYS A 667 4.400 -2.650 -6.349 1.00 0.00 C ATOM 397 O LYS A 667 4.080 -2.981 -7.492 1.00 0.00 O ATOM 398 CB LYS A 667 6.156 -0.930 -6.757 1.00 0.00 C ATOM 399 CG LYS A 667 7.140 -0.044 -6.015 1.00 0.00 C ATOM 400 CD LYS A 667 7.033 1.405 -6.462 1.00 0.00 C ATOM 401 CE LYS A 667 8.384 1.970 -6.866 1.00 0.00 C ATOM 402 NZ LYS A 667 8.285 2.831 -8.075 1.00 0.00 N ATOM 0 H LYS A 667 7.311 -3.071 -7.251 1.00 0.00 H new ATOM 0 HA LYS A 667 5.925 -2.084 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 667 6.563 -1.164 -7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 667 5.232 -0.375 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 667 6.953 -0.110 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 667 8.155 -0.404 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 667 6.343 1.476 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 667 6.615 2.005 -5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 667 8.797 2.549 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 667 9.077 1.151 -7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 9.227 3.197 -8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 7.915 2.272 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 7.643 3.627 -7.883 1.00 0.00 H new ATOM 416 N MET A 668 3.546 -2.642 -5.340 1.00 0.00 N ATOM 417 CA MET A 668 2.139 -2.920 -5.553 1.00 0.00 C ATOM 418 C MET A 668 1.413 -1.632 -5.917 1.00 0.00 C ATOM 419 O MET A 668 1.211 -0.757 -5.076 1.00 0.00 O ATOM 420 CB MET A 668 1.499 -3.577 -4.320 1.00 0.00 C ATOM 421 CG MET A 668 1.752 -2.847 -3.011 1.00 0.00 C ATOM 422 SD MET A 668 0.821 -3.552 -1.634 1.00 0.00 S ATOM 423 CE MET A 668 1.951 -4.829 -1.086 1.00 0.00 C ATOM 0 H MET A 668 3.801 -2.447 -4.372 1.00 0.00 H new ATOM 0 HA MET A 668 2.050 -3.628 -6.377 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.423 -3.647 -4.479 1.00 0.00 H new ATOM 0 HB3 MET A 668 1.875 -4.596 -4.231 1.00 0.00 H new ATOM 0 HG2 MET A 668 2.817 -2.880 -2.780 1.00 0.00 H new ATOM 0 HG3 MET A 668 1.484 -1.797 -3.127 1.00 0.00 H new ATOM 0 HE1 MET A 668 1.387 -5.640 -0.625 1.00 0.00 H new ATOM 0 HE2 MET A 668 2.507 -5.214 -1.941 1.00 0.00 H new ATOM 0 HE3 MET A 668 2.647 -4.411 -0.359 1.00 0.00 H new ATOM 433 N ASP A 669 1.062 -1.506 -7.187 1.00 0.00 N ATOM 434 CA ASP A 669 0.365 -0.325 -7.673 1.00 0.00 C ATOM 435 C ASP A 669 -1.024 -0.244 -7.059 1.00 0.00 C ATOM 436 O ASP A 669 -1.897 -1.060 -7.360 1.00 0.00 O ATOM 437 CB ASP A 669 0.268 -0.350 -9.199 1.00 0.00 C ATOM 438 CG ASP A 669 -0.114 0.994 -9.780 1.00 0.00 C ATOM 439 OD1 ASP A 669 0.773 1.862 -9.924 1.00 0.00 O ATOM 440 OD2 ASP A 669 -1.303 1.186 -10.108 1.00 0.00 O ATOM 0 H ASP A 669 1.249 -2.209 -7.902 1.00 0.00 H new ATOM 0 HA ASP A 669 0.932 0.558 -7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 669 1.226 -0.663 -9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.469 -1.095 -9.500 1.00 0.00 H new ATOM 445 N VAL A 670 -1.227 0.748 -6.207 1.00 0.00 N ATOM 446 CA VAL A 670 -2.466 0.856 -5.458 1.00 0.00 C ATOM 447 C VAL A 670 -3.544 1.532 -6.293 1.00 0.00 C ATOM 448 O VAL A 670 -3.631 2.759 -6.354 1.00 0.00 O ATOM 449 CB VAL A 670 -2.282 1.645 -4.141 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.216 1.109 -3.065 1.00 0.00 C ATOM 451 CG2 VAL A 670 -0.836 1.591 -3.665 1.00 0.00 C ATOM 0 H VAL A 670 -0.551 1.488 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.771 -0.161 -5.212 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.534 2.688 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.074 1.675 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.249 1.210 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -2.995 0.058 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -0.737 2.154 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -0.548 0.554 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.186 2.026 -4.425 1.00 0.00 H new ATOM 461 N THR A 671 -4.356 0.713 -6.945 1.00 0.00 N ATOM 462 CA THR A 671 -5.458 1.203 -7.755 1.00 0.00 C ATOM 463 C THR A 671 -6.733 1.281 -6.923 1.00 0.00 C ATOM 464 O THR A 671 -7.259 0.262 -6.482 1.00 0.00 O ATOM 465 CB THR A 671 -5.687 0.293 -8.974 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.451 -0.342 -9.330 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.213 1.087 -10.159 1.00 0.00 C ATOM 0 H THR A 671 -4.270 -0.303 -6.927 1.00 0.00 H new ATOM 0 HA THR A 671 -5.200 2.201 -8.109 1.00 0.00 H new ATOM 0 HB THR A 671 -6.431 -0.459 -8.711 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.594 -0.924 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.366 0.418 -11.006 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.160 1.556 -9.891 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.491 1.857 -10.430 1.00 0.00 H new ATOM 475 N VAL A 672 -7.212 2.491 -6.700 1.00 0.00 N ATOM 476 CA VAL A 672 -8.399 2.704 -5.884 1.00 0.00 C ATOM 477 C VAL A 672 -9.659 2.616 -6.735 1.00 0.00 C ATOM 478 O VAL A 672 -9.701 3.127 -7.856 1.00 0.00 O ATOM 479 CB VAL A 672 -8.361 4.071 -5.168 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.210 4.042 -3.906 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.931 4.469 -4.831 1.00 0.00 C ATOM 0 H VAL A 672 -6.798 3.345 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.413 1.918 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.774 4.816 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.169 5.015 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -10.243 3.811 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.828 3.279 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -6.931 5.436 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.489 3.718 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -6.347 4.538 -5.749 1.00 0.00 H new ATOM 491 N ILE A 673 -10.677 1.954 -6.208 1.00 0.00 N ATOM 492 CA ILE A 673 -11.942 1.811 -6.913 1.00 0.00 C ATOM 493 C ILE A 673 -13.037 2.623 -6.238 1.00 0.00 C ATOM 494 O ILE A 673 -13.195 2.568 -5.017 1.00 0.00 O ATOM 495 CB ILE A 673 -12.380 0.336 -7.009 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.429 -0.429 -7.929 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.812 0.241 -7.521 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.585 -1.462 -7.216 1.00 0.00 C ATOM 0 H ILE A 673 -10.652 1.506 -5.292 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.785 2.190 -7.923 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.342 -0.111 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.011 -0.924 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.771 0.282 -8.427 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.107 -0.806 -7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.479 0.766 -6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.876 0.696 -8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -9.937 -1.962 -7.936 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -9.975 -0.972 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.234 -2.197 -6.741 1.00 0.00 H new ATOM 510 N ASP A 674 -13.785 3.375 -7.039 1.00 0.00 N ATOM 511 CA ASP A 674 -14.878 4.188 -6.529 1.00 0.00 C ATOM 512 C ASP A 674 -16.034 3.312 -6.065 1.00 0.00 C ATOM 513 O ASP A 674 -16.894 2.928 -6.859 1.00 0.00 O ATOM 514 CB ASP A 674 -15.373 5.170 -7.592 1.00 0.00 C ATOM 515 CG ASP A 674 -16.160 6.324 -6.998 1.00 0.00 C ATOM 516 OD1 ASP A 674 -17.212 6.080 -6.371 1.00 0.00 O ATOM 517 OD2 ASP A 674 -15.723 7.488 -7.151 1.00 0.00 O ATOM 0 H ASP A 674 -13.651 3.437 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 674 -14.498 4.753 -5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -14.519 5.563 -8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -15.999 4.639 -8.309 1.00 0.00 H new ATOM 522 N THR A 675 -16.030 3.001 -4.776 1.00 0.00 N ATOM 523 CA THR A 675 -17.090 2.229 -4.140 1.00 0.00 C ATOM 524 C THR A 675 -17.008 0.738 -4.490 1.00 0.00 C ATOM 525 O THR A 675 -16.402 0.343 -5.486 1.00 0.00 O ATOM 526 CB THR A 675 -18.491 2.787 -4.486 1.00 0.00 C ATOM 527 OG1 THR A 675 -18.447 4.224 -4.534 1.00 0.00 O ATOM 528 CG2 THR A 675 -19.517 2.351 -3.450 1.00 0.00 C ATOM 0 H THR A 675 -15.285 3.279 -4.137 1.00 0.00 H new ATOM 0 HA THR A 675 -16.939 2.328 -3.065 1.00 0.00 H new ATOM 0 HB THR A 675 -18.784 2.394 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 675 -19.336 4.571 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 675 -20.494 2.755 -3.714 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.569 1.263 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 675 -19.224 2.723 -2.468 1.00 0.00 H new ATOM 806 N TRP A 20 -21.474 -8.646 -2.998 1.00 0.00 N ATOM 807 CA TRP A 20 -20.808 -7.381 -3.320 1.00 0.00 C ATOM 808 C TRP A 20 -19.405 -7.630 -3.872 1.00 0.00 C ATOM 809 O TRP A 20 -19.242 -8.194 -4.956 1.00 0.00 O ATOM 810 CB TRP A 20 -20.743 -6.460 -2.089 1.00 0.00 C ATOM 811 CG TRP A 20 -21.950 -6.538 -1.204 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.253 -6.360 -1.569 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.959 -6.812 0.202 1.00 0.00 C ATOM 814 NE1 TRP A 20 -24.074 -6.508 -0.474 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.302 -6.787 0.625 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.959 -7.079 1.144 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.669 -7.019 1.951 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.326 -7.306 2.457 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.669 -7.276 2.850 1.00 0.00 C ATOM 0 HA TRP A 20 -21.398 -6.882 -4.088 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.859 -6.715 -1.504 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.617 -5.431 -2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.590 -6.136 -2.570 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -25.091 -6.424 -0.479 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.920 -7.107 0.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.704 -6.997 2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.563 -7.510 3.193 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -22.922 -7.459 3.884 1.00 0.00 H new ATOM 830 N LYS A 21 -18.401 -7.210 -3.120 1.00 0.00 N ATOM 831 CA LYS A 21 -17.016 -7.464 -3.471 1.00 0.00 C ATOM 832 C LYS A 21 -16.367 -8.291 -2.375 1.00 0.00 C ATOM 833 O LYS A 21 -16.809 -8.257 -1.232 1.00 0.00 O ATOM 834 CB LYS A 21 -16.265 -6.150 -3.672 1.00 0.00 C ATOM 835 CG LYS A 21 -15.709 -5.980 -5.077 1.00 0.00 C ATOM 836 CD LYS A 21 -16.783 -6.197 -6.133 1.00 0.00 C ATOM 837 CE LYS A 21 -16.497 -5.403 -7.396 1.00 0.00 C ATOM 838 NZ LYS A 21 -17.603 -4.468 -7.724 1.00 0.00 N ATOM 0 H LYS A 21 -18.523 -6.686 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.976 -8.018 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.936 -5.320 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.445 -6.096 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.289 -4.980 -5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.894 -6.687 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.845 -7.258 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.753 -5.905 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.572 -4.841 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.342 -6.089 -8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.370 -3.945 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.481 -5.006 -7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.734 -3.797 -6.940 1.00 0.00 H new ATOM 852 N ARG A 22 -15.328 -9.031 -2.717 1.00 0.00 N ATOM 853 CA ARG A 22 -14.746 -9.979 -1.781 1.00 0.00 C ATOM 854 C ARG A 22 -13.258 -9.736 -1.602 1.00 0.00 C ATOM 855 O ARG A 22 -12.490 -9.820 -2.563 1.00 0.00 O ATOM 856 CB ARG A 22 -14.986 -11.406 -2.271 1.00 0.00 C ATOM 857 CG ARG A 22 -16.422 -11.663 -2.690 1.00 0.00 C ATOM 858 CD ARG A 22 -16.795 -13.114 -2.488 1.00 0.00 C ATOM 859 NE ARG A 22 -17.204 -13.392 -1.114 1.00 0.00 N ATOM 860 CZ ARG A 22 -18.233 -14.174 -0.792 1.00 0.00 C ATOM 861 NH1 ARG A 22 -18.992 -14.711 -1.743 1.00 0.00 N ATOM 862 NH2 ARG A 22 -18.512 -14.427 0.479 1.00 0.00 N ATOM 0 H ARG A 22 -14.872 -8.996 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.229 -9.840 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.327 -11.609 -3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.715 -12.105 -1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.092 -11.028 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.552 -11.393 -3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.606 -13.377 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.945 -13.745 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.671 -12.963 -0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.787 -14.525 -2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.779 -15.309 -1.491 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.937 -14.022 1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.302 -15.027 0.718 1.00 0.00 H new ATOM 876 N CYS A 23 -12.858 -9.431 -0.377 1.00 0.00 N ATOM 877 CA CYS A 23 -11.458 -9.232 -0.069 1.00 0.00 C ATOM 878 C CYS A 23 -10.807 -10.551 0.320 1.00 0.00 C ATOM 879 O CYS A 23 -11.480 -11.475 0.782 1.00 0.00 O ATOM 880 CB CYS A 23 -11.295 -8.206 1.053 1.00 0.00 C ATOM 881 SG CYS A 23 -12.394 -8.445 2.481 1.00 0.00 S ATOM 0 H CYS A 23 -13.487 -9.317 0.418 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.961 -8.849 -0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.262 -8.232 1.401 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.469 -7.211 0.643 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.499 -7.329 3.140 1.00 0.00 H new ATOM 886 N ALA A 24 -9.505 -10.639 0.130 1.00 0.00 N ATOM 887 CA ALA A 24 -8.767 -11.847 0.458 1.00 0.00 C ATOM 888 C ALA A 24 -8.196 -11.769 1.871 1.00 0.00 C ATOM 889 O ALA A 24 -7.438 -12.642 2.296 1.00 0.00 O ATOM 890 CB ALA A 24 -7.655 -12.072 -0.555 1.00 0.00 C ATOM 0 H ALA A 24 -8.933 -9.886 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.454 -12.692 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.108 -12.980 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.086 -12.176 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.973 -11.222 -0.541 1.00 0.00 H new ATOM 896 N GLY A 25 -8.574 -10.727 2.597 1.00 0.00 N ATOM 897 CA GLY A 25 -8.011 -10.502 3.911 1.00 0.00 C ATOM 898 C GLY A 25 -8.952 -10.860 5.046 1.00 0.00 C ATOM 899 O GLY A 25 -8.844 -11.939 5.631 1.00 0.00 O ATOM 0 H GLY A 25 -9.260 -10.034 2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.097 -11.087 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.729 -9.453 4.001 1.00 0.00 H new ATOM 903 N CYS A 26 -9.861 -9.948 5.371 1.00 0.00 N ATOM 904 CA CYS A 26 -10.712 -10.103 6.541 1.00 0.00 C ATOM 905 C CYS A 26 -11.928 -11.006 6.278 1.00 0.00 C ATOM 906 O CYS A 26 -11.795 -12.229 6.185 1.00 0.00 O ATOM 907 CB CYS A 26 -11.117 -8.718 7.109 1.00 0.00 C ATOM 908 SG CYS A 26 -12.359 -7.747 6.166 1.00 0.00 S ATOM 0 H CYS A 26 -10.026 -9.093 4.839 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.127 -10.619 7.303 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.502 -8.867 8.118 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.214 -8.114 7.198 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.304 -8.076 4.909 1.00 0.00 H new ATOM 913 N GLY A 27 -13.098 -10.407 6.146 1.00 0.00 N ATOM 914 CA GLY A 27 -14.327 -11.172 6.083 1.00 0.00 C ATOM 915 C GLY A 27 -14.586 -11.768 4.719 1.00 0.00 C ATOM 916 O GLY A 27 -15.414 -12.668 4.580 1.00 0.00 O ATOM 0 H GLY A 27 -13.221 -9.397 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.287 -11.973 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.163 -10.528 6.356 1.00 0.00 H new ATOM 920 N GLY A 28 -13.889 -11.270 3.708 1.00 0.00 N ATOM 921 CA GLY A 28 -14.097 -11.763 2.361 1.00 0.00 C ATOM 922 C GLY A 28 -15.352 -11.192 1.741 1.00 0.00 C ATOM 923 O GLY A 28 -15.823 -11.670 0.710 1.00 0.00 O ATOM 0 H GLY A 28 -13.186 -10.536 3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.237 -11.506 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.163 -12.851 2.378 1.00 0.00 H new ATOM 927 N LYS A 29 -15.897 -10.180 2.388 1.00 0.00 N ATOM 928 CA LYS A 29 -17.070 -9.482 1.900 1.00 0.00 C ATOM 929 C LYS A 29 -16.917 -8.003 2.199 1.00 0.00 C ATOM 930 O LYS A 29 -17.077 -7.570 3.341 1.00 0.00 O ATOM 931 CB LYS A 29 -18.342 -10.032 2.552 1.00 0.00 C ATOM 932 CG LYS A 29 -19.150 -10.935 1.638 1.00 0.00 C ATOM 933 CD LYS A 29 -20.161 -11.759 2.417 1.00 0.00 C ATOM 934 CE LYS A 29 -21.428 -10.967 2.704 1.00 0.00 C ATOM 935 NZ LYS A 29 -22.654 -11.714 2.318 1.00 0.00 N ATOM 0 H LYS A 29 -15.537 -9.818 3.271 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.159 -9.633 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.070 -10.587 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.967 -9.198 2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.669 -10.330 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.478 -11.600 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -20.413 -12.656 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -19.716 -12.088 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.471 -10.725 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.394 -10.022 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.493 -11.138 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -22.627 -11.923 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -22.701 -12.604 2.853 1.00 0.00 H new ATOM 949 N ILE A 30 -16.569 -7.237 1.183 1.00 0.00 N ATOM 950 CA ILE A 30 -16.295 -5.826 1.362 1.00 0.00 C ATOM 951 C ILE A 30 -17.585 -5.036 1.519 1.00 0.00 C ATOM 952 O ILE A 30 -18.341 -4.844 0.566 1.00 0.00 O ATOM 953 CB ILE A 30 -15.474 -5.251 0.184 1.00 0.00 C ATOM 954 CG1 ILE A 30 -14.109 -5.936 0.104 1.00 0.00 C ATOM 955 CG2 ILE A 30 -15.302 -3.743 0.332 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.436 -5.800 -1.245 1.00 0.00 C ATOM 0 H ILE A 30 -16.469 -7.570 0.224 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.705 -5.729 2.273 1.00 0.00 H new ATOM 0 HB ILE A 30 -16.018 -5.445 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.456 -5.516 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.230 -6.994 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.722 -3.359 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -16.281 -3.265 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.780 -3.526 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.473 -6.311 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.067 -6.246 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.282 -4.745 -1.470 1.00 0.00 H new ATOM 968 N ALA A 31 -17.823 -4.586 2.740 1.00 0.00 N ATOM 969 CA ALA A 31 -18.915 -3.673 3.028 1.00 0.00 C ATOM 970 C ALA A 31 -18.344 -2.288 3.277 1.00 0.00 C ATOM 971 O ALA A 31 -18.986 -1.422 3.875 1.00 0.00 O ATOM 972 CB ALA A 31 -19.715 -4.155 4.232 1.00 0.00 C ATOM 0 H ALA A 31 -17.267 -4.842 3.556 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.594 -3.636 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.528 -3.457 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.127 -5.142 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.063 -4.211 5.104 1.00 0.00 H new ATOM 978 N ASP A 32 -17.118 -2.101 2.817 1.00 0.00 N ATOM 979 CA ASP A 32 -16.411 -0.843 2.981 1.00 0.00 C ATOM 980 C ASP A 32 -16.822 0.138 1.893 1.00 0.00 C ATOM 981 O ASP A 32 -17.673 -0.172 1.056 1.00 0.00 O ATOM 982 CB ASP A 32 -14.902 -1.076 2.928 1.00 0.00 C ATOM 983 CG ASP A 32 -14.137 -0.189 3.887 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.476 1.007 3.996 1.00 0.00 O ATOM 985 OD2 ASP A 32 -13.189 -0.688 4.531 1.00 0.00 O ATOM 0 H ASP A 32 -16.586 -2.816 2.320 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.671 -0.422 3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.692 -2.120 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.547 -0.897 1.913 1.00 0.00 H new ATOM 990 N ARG A 33 -16.215 1.312 1.905 1.00 0.00 N ATOM 991 CA ARG A 33 -16.538 2.343 0.938 1.00 0.00 C ATOM 992 C ARG A 33 -15.798 2.110 -0.373 1.00 0.00 C ATOM 993 O ARG A 33 -16.399 1.721 -1.371 1.00 0.00 O ATOM 994 CB ARG A 33 -16.193 3.726 1.495 1.00 0.00 C ATOM 995 CG ARG A 33 -17.411 4.579 1.803 1.00 0.00 C ATOM 996 CD ARG A 33 -17.237 6.004 1.305 1.00 0.00 C ATOM 997 NE ARG A 33 -18.520 6.636 0.998 1.00 0.00 N ATOM 998 CZ ARG A 33 -18.880 7.033 -0.221 1.00 0.00 C ATOM 999 NH1 ARG A 33 -18.044 6.885 -1.244 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -20.069 7.591 -0.415 1.00 0.00 N ATOM 0 H ARG A 33 -15.494 1.574 2.577 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.609 2.297 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.605 3.606 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.564 4.251 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.293 4.136 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.587 4.588 2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -16.715 6.591 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.610 6.003 0.413 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.178 6.781 1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.126 6.467 -1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.321 7.190 -2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -20.708 7.716 0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -20.344 7.895 -1.349 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.494 2.347 -0.362 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.688 2.271 -1.571 1.00 0.00 C ATOM 1016 C PHE A 34 -12.897 0.970 -1.644 1.00 0.00 C ATOM 1017 O PHE A 34 -12.575 0.371 -0.616 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.742 3.470 -1.644 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.262 4.565 -2.526 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -14.587 4.959 -2.449 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -12.435 5.180 -3.450 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -15.077 5.949 -3.273 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -12.921 6.166 -4.282 1.00 0.00 C ATOM 1024 CZ PHE A 34 -14.243 6.551 -4.192 1.00 0.00 C ATOM 0 H PHE A 34 -13.969 2.595 0.477 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.366 2.291 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.582 3.863 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.772 3.140 -2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.244 4.485 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.399 4.884 -3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.111 6.253 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.268 6.636 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.625 7.324 -4.842 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.585 0.534 -2.863 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.787 -0.670 -3.056 1.00 0.00 C ATOM 1036 C LEU A 35 -10.345 -0.298 -3.351 1.00 0.00 C ATOM 1037 O LEU A 35 -10.064 0.810 -3.805 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.328 -1.529 -4.203 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.845 -1.683 -4.272 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -14.220 -2.712 -5.326 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -14.406 -2.074 -2.918 1.00 0.00 C ATOM 0 H LEU A 35 -12.872 0.995 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.843 -1.250 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.984 -1.100 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.886 -2.522 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.279 -0.724 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.305 -2.813 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.850 -2.388 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.775 -3.674 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.489 -2.179 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.970 -3.022 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.163 -1.303 -2.187 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.439 -1.224 -3.100 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.030 -1.000 -3.363 1.00 0.00 C ATOM 1055 C LEU A 36 -7.400 -2.229 -4.003 1.00 0.00 C ATOM 1056 O LEU A 36 -7.652 -3.356 -3.585 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.297 -0.653 -2.069 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.611 0.731 -1.500 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.455 0.736 0.011 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -6.710 1.780 -2.135 1.00 0.00 C ATOM 0 H LEU A 36 -9.655 -2.142 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.942 -0.163 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.543 -1.403 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.224 -0.721 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.647 0.975 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.683 1.730 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.140 0.010 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.430 0.472 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.945 2.760 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.668 1.538 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.871 1.794 -3.213 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.607 -2.000 -5.036 1.00 0.00 N ATOM 1073 CA TYR A 37 -5.845 -3.060 -5.679 1.00 0.00 C ATOM 1074 C TYR A 37 -4.425 -3.065 -5.140 1.00 0.00 C ATOM 1075 O TYR A 37 -3.851 -2.008 -4.885 1.00 0.00 O ATOM 1076 CB TYR A 37 -5.803 -2.841 -7.190 1.00 0.00 C ATOM 1077 CG TYR A 37 -6.745 -3.721 -7.973 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -6.750 -5.096 -7.798 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.625 -3.170 -8.895 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.606 -5.902 -8.521 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.485 -3.966 -9.622 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.472 -5.333 -9.432 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.328 -6.132 -10.159 1.00 0.00 O ATOM 0 H TYR A 37 -6.473 -1.078 -5.452 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.327 -4.014 -5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.040 -1.798 -7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.786 -3.014 -7.542 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.074 -5.544 -7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.636 -2.101 -9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.598 -6.972 -8.374 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.164 -3.523 -10.335 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.189 -6.197 -9.695 1.00 0.00 H new ATOM 1093 N ALA A 38 -3.868 -4.249 -4.968 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.492 -4.377 -4.524 1.00 0.00 C ATOM 1095 C ALA A 38 -1.713 -5.277 -5.473 1.00 0.00 C ATOM 1096 O ALA A 38 -0.950 -4.804 -6.314 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.439 -4.918 -3.103 1.00 0.00 C ATOM 0 H ALA A 38 -4.346 -5.135 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.030 -3.390 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.400 -5.008 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.965 -4.236 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.914 -5.898 -3.069 1.00 0.00 H new ATOM 1103 N MET A 39 -1.915 -6.580 -5.338 1.00 0.00 N ATOM 1104 CA MET A 39 -1.254 -7.543 -6.205 1.00 0.00 C ATOM 1105 C MET A 39 -2.196 -8.021 -7.303 1.00 0.00 C ATOM 1106 O MET A 39 -1.834 -8.033 -8.478 1.00 0.00 O ATOM 1107 CB MET A 39 -0.744 -8.743 -5.398 1.00 0.00 C ATOM 1108 CG MET A 39 -0.164 -8.374 -4.043 1.00 0.00 C ATOM 1109 SD MET A 39 -1.417 -8.357 -2.747 1.00 0.00 S ATOM 1110 CE MET A 39 -0.459 -7.777 -1.349 1.00 0.00 C ATOM 0 H MET A 39 -2.530 -6.993 -4.637 1.00 0.00 H new ATOM 0 HA MET A 39 -0.403 -7.043 -6.667 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.565 -9.445 -5.252 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.019 -9.261 -5.979 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.619 -9.085 -3.779 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.305 -7.392 -4.106 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.688 -8.385 -0.474 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.604 -7.857 -1.578 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.709 -6.736 -1.144 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.412 -8.395 -6.913 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.377 -8.967 -7.852 1.00 0.00 C ATOM 1122 C ASP A 40 -5.776 -9.021 -7.244 1.00 0.00 C ATOM 1123 O ASP A 40 -6.775 -9.035 -7.965 1.00 0.00 O ATOM 1124 CB ASP A 40 -3.924 -10.379 -8.279 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.934 -11.472 -7.958 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.927 -11.985 -6.816 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.728 -11.835 -8.854 1.00 0.00 O ATOM 0 H ASP A 40 -3.753 -8.313 -5.955 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.419 -8.323 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.731 -10.379 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.981 -10.613 -7.785 1.00 0.00 H new ATOM 1132 N SER A 41 -5.848 -9.018 -5.921 1.00 0.00 N ATOM 1133 CA SER A 41 -7.105 -9.231 -5.234 1.00 0.00 C ATOM 1134 C SER A 41 -7.810 -7.913 -4.946 1.00 0.00 C ATOM 1135 O SER A 41 -7.208 -6.841 -5.040 1.00 0.00 O ATOM 1136 CB SER A 41 -6.831 -9.979 -3.934 1.00 0.00 C ATOM 1137 OG SER A 41 -5.433 -10.133 -3.740 1.00 0.00 O ATOM 0 H SER A 41 -5.048 -8.870 -5.305 1.00 0.00 H new ATOM 0 HA SER A 41 -7.763 -9.819 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.264 -9.434 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.311 -10.957 -3.961 1.00 0.00 H new ATOM 0 HG SER A 41 -5.148 -9.593 -2.973 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.089 -8.004 -4.618 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.856 -6.848 -4.191 1.00 0.00 C ATOM 1145 C TYR A 42 -9.628 -6.606 -2.706 1.00 0.00 C ATOM 1146 O TYR A 42 -9.767 -7.521 -1.897 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.349 -7.071 -4.447 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.757 -6.938 -5.895 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.310 -5.878 -6.674 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.602 -7.871 -6.480 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.691 -5.755 -7.994 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.990 -7.754 -7.800 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.532 -6.695 -8.553 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.920 -6.572 -9.866 1.00 0.00 O ATOM 0 H TYR A 42 -9.620 -8.875 -4.640 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.527 -5.980 -4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.622 -8.066 -4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.918 -6.355 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.654 -5.139 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.962 -8.703 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.333 -4.927 -8.587 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.649 -8.488 -8.240 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.511 -7.317 -10.104 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.251 -5.393 -2.351 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.089 -5.034 -0.953 1.00 0.00 C ATOM 1166 C TRP A 43 -9.870 -3.770 -0.637 1.00 0.00 C ATOM 1167 O TRP A 43 -10.537 -3.199 -1.500 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.617 -4.801 -0.594 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.667 -5.817 -1.148 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.095 -5.811 -2.386 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.152 -6.975 -0.476 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.277 -6.900 -2.533 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.292 -7.627 -1.375 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.345 -7.529 0.794 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.619 -8.798 -1.047 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.672 -8.693 1.120 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.820 -9.316 0.200 1.00 0.00 C ATOM 0 H TRP A 43 -9.051 -4.640 -3.009 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.468 -5.869 -0.364 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.322 -3.815 -0.953 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.520 -4.788 0.492 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.263 -5.057 -3.141 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.743 -7.131 -3.371 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.006 -7.057 1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.960 -9.281 -1.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.806 -9.128 2.099 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.311 -10.226 0.483 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.768 -3.347 0.608 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.340 -2.092 1.072 1.00 0.00 C ATOM 1190 C HIS A 44 -9.412 -1.520 2.134 1.00 0.00 C ATOM 1191 O HIS A 44 -8.411 -2.155 2.472 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.771 -2.283 1.622 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.902 -3.376 2.643 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.411 -3.194 3.918 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.557 -4.684 2.561 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.343 -4.376 4.558 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.834 -5.291 3.768 1.00 0.00 N ATOM 0 H HIS A 44 -9.281 -3.869 1.336 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.427 -1.398 0.236 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.105 -1.345 2.067 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.441 -2.498 0.790 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.772 -2.321 4.303 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.135 -5.170 1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.662 -4.547 5.576 1.00 0.00 H new ATOM 1205 N SER A 45 -9.737 -0.351 2.663 1.00 0.00 N ATOM 1206 CA SER A 45 -8.849 0.352 3.592 1.00 0.00 C ATOM 1207 C SER A 45 -8.524 -0.482 4.836 1.00 0.00 C ATOM 1208 O SER A 45 -7.432 -0.374 5.395 1.00 0.00 O ATOM 1209 CB SER A 45 -9.487 1.675 3.997 1.00 0.00 C ATOM 1210 OG SER A 45 -10.706 1.875 3.300 1.00 0.00 O ATOM 0 H SER A 45 -10.611 0.137 2.468 1.00 0.00 H new ATOM 0 HA SER A 45 -7.905 0.533 3.077 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.671 1.683 5.071 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.802 2.496 3.785 1.00 0.00 H new ATOM 0 HG SER A 45 -11.103 2.728 3.573 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.463 -1.323 5.256 1.00 0.00 N ATOM 1217 CA ARG A 46 -9.277 -2.131 6.458 1.00 0.00 C ATOM 1218 C ARG A 46 -8.494 -3.411 6.164 1.00 0.00 C ATOM 1219 O ARG A 46 -7.955 -4.032 7.077 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.630 -2.484 7.078 1.00 0.00 C ATOM 1221 CG ARG A 46 -11.153 -1.431 8.039 1.00 0.00 C ATOM 1222 CD ARG A 46 -10.906 -1.826 9.486 1.00 0.00 C ATOM 1223 NE ARG A 46 -11.057 -0.688 10.393 1.00 0.00 N ATOM 1224 CZ ARG A 46 -11.521 -0.779 11.638 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -11.836 -1.962 12.150 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -11.659 0.318 12.376 1.00 0.00 N ATOM 0 H ARG A 46 -10.357 -1.463 4.785 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.698 -1.535 7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.359 -2.630 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.541 -3.433 7.606 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.668 -0.476 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.221 -1.288 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.603 -2.614 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.902 -2.238 9.584 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.790 0.235 10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.723 -2.807 11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.191 -2.027 13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.410 1.228 11.989 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.014 0.250 13.330 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.431 -3.808 4.896 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.720 -5.026 4.524 1.00 0.00 C ATOM 1242 C CYS A 47 -6.337 -4.710 3.969 1.00 0.00 C ATOM 1243 O CYS A 47 -5.365 -5.402 4.282 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.523 -5.835 3.503 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.196 -7.401 4.157 1.00 0.00 S ATOM 0 H CYS A 47 -8.859 -3.309 4.116 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.599 -5.624 5.427 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.347 -5.222 3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.885 -6.055 2.647 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.298 -7.694 3.533 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.244 -3.663 3.158 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.976 -3.275 2.563 1.00 0.00 C ATOM 1252 C LEU A 48 -4.134 -2.488 3.562 1.00 0.00 C ATOM 1253 O LEU A 48 -3.865 -1.296 3.385 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.198 -2.456 1.290 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.702 -3.106 -0.006 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -4.224 -2.041 -0.978 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.594 -4.115 0.272 1.00 0.00 C ATOM 0 H LEU A 48 -7.032 -3.069 2.899 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.437 -4.183 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.264 -2.254 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.701 -1.493 1.407 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.536 -3.644 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.874 -2.516 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.047 -1.365 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.408 -1.477 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.263 -4.559 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.755 -3.611 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.971 -4.897 0.931 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.738 -3.172 4.614 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.889 -2.600 5.639 1.00 0.00 C ATOM 1271 C LYS A 49 -1.657 -3.466 5.801 1.00 0.00 C ATOM 1272 O LYS A 49 -1.632 -4.609 5.338 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.631 -2.501 6.978 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.738 -3.529 7.145 1.00 0.00 C ATOM 1275 CD LYS A 49 -4.231 -4.800 7.810 1.00 0.00 C ATOM 1276 CE LYS A 49 -5.266 -5.911 7.754 1.00 0.00 C ATOM 1277 NZ LYS A 49 -5.035 -6.830 6.607 1.00 0.00 N ATOM 0 H LYS A 49 -3.996 -4.144 4.784 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.603 -1.593 5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.913 -2.619 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.058 -1.503 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.544 -3.102 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.159 -3.772 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.316 -5.129 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.976 -4.591 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.240 -6.478 8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.262 -5.475 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.588 -7.700 6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.331 -6.365 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.024 -7.068 6.551 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.642 -2.923 6.449 1.00 0.00 N ATOM 1292 CA CYS A 50 0.571 -3.664 6.714 1.00 0.00 C ATOM 1293 C CYS A 50 0.285 -4.870 7.594 1.00 0.00 C ATOM 1294 O CYS A 50 -0.505 -4.799 8.536 1.00 0.00 O ATOM 1295 CB CYS A 50 1.601 -2.770 7.393 1.00 0.00 C ATOM 1296 SG CYS A 50 3.204 -3.580 7.688 1.00 0.00 S ATOM 0 H CYS A 50 -0.637 -1.966 6.802 1.00 0.00 H new ATOM 0 HA CYS A 50 0.969 -4.011 5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.761 -1.885 6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.198 -2.427 8.346 1.00 0.00 H new ATOM 0 HG CYS A 50 3.969 -2.789 8.380 1.00 0.00 H new ATOM 1301 N SER A 51 0.934 -5.970 7.277 1.00 0.00 N ATOM 1302 CA SER A 51 0.824 -7.180 8.068 1.00 0.00 C ATOM 1303 C SER A 51 1.730 -7.101 9.301 1.00 0.00 C ATOM 1304 O SER A 51 1.676 -7.961 10.186 1.00 0.00 O ATOM 1305 CB SER A 51 1.193 -8.392 7.208 1.00 0.00 C ATOM 1306 OG SER A 51 0.989 -8.125 5.825 1.00 0.00 O ATOM 0 H SER A 51 1.550 -6.052 6.468 1.00 0.00 H new ATOM 0 HA SER A 51 -0.205 -7.287 8.411 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.236 -8.658 7.379 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.591 -9.250 7.508 1.00 0.00 H new ATOM 0 HG SER A 51 1.234 -8.915 5.300 1.00 0.00 H new ATOM 1312 N SER A 52 2.559 -6.063 9.355 1.00 0.00 N ATOM 1313 CA SER A 52 3.519 -5.909 10.440 1.00 0.00 C ATOM 1314 C SER A 52 3.202 -4.688 11.311 1.00 0.00 C ATOM 1315 O SER A 52 3.094 -4.806 12.532 1.00 0.00 O ATOM 1316 CB SER A 52 4.931 -5.808 9.861 1.00 0.00 C ATOM 1317 OG SER A 52 4.900 -5.854 8.443 1.00 0.00 O ATOM 0 H SER A 52 2.584 -5.317 8.660 1.00 0.00 H new ATOM 0 HA SER A 52 3.452 -6.786 11.083 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.397 -4.879 10.189 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.544 -6.624 10.242 1.00 0.00 H new ATOM 0 HG SER A 52 4.542 -5.010 8.096 1.00 0.00 H new ATOM 1323 N CYS A 53 3.030 -3.521 10.693 1.00 0.00 N ATOM 1324 CA CYS A 53 2.710 -2.308 11.444 1.00 0.00 C ATOM 1325 C CYS A 53 1.197 -2.113 11.529 1.00 0.00 C ATOM 1326 O CYS A 53 0.696 -1.429 12.427 1.00 0.00 O ATOM 1327 CB CYS A 53 3.354 -1.069 10.804 1.00 0.00 C ATOM 1328 SG CYS A 53 5.018 -1.334 10.104 1.00 0.00 S ATOM 0 H CYS A 53 3.106 -3.389 9.684 1.00 0.00 H new ATOM 0 HA CYS A 53 3.115 -2.428 12.449 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.698 -0.706 10.013 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.414 -0.281 11.555 1.00 0.00 H new ATOM 0 HG CYS A 53 5.025 -0.978 8.854 1.00 0.00 H new ATOM 1333 N GLN A 54 0.486 -2.726 10.582 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.971 -2.630 10.489 1.00 0.00 C ATOM 1335 C GLN A 54 -1.410 -1.217 10.122 1.00 0.00 C ATOM 1336 O GLN A 54 -2.484 -0.764 10.520 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.645 -3.084 11.786 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.402 -4.397 11.641 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.905 -4.200 11.566 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.338 -3.222 10.786 1.00 0.00 O flip ATOM 1341 NE2 GLN A 54 -4.670 -4.928 12.197 1.00 0.00 N flip ATOM 0 H GLN A 54 0.906 -3.305 9.855 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.289 -3.302 9.692 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.888 -3.192 12.563 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.335 -2.309 12.120 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.062 -4.911 10.742 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.166 -5.043 12.486 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.296 -5.671 12.787 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.678 -4.789 12.130 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.572 -0.524 9.363 1.00 0.00 N ATOM 1351 CA ALA A 55 -0.922 0.792 8.853 1.00 0.00 C ATOM 1352 C ALA A 55 -1.663 0.645 7.533 1.00 0.00 C ATOM 1353 O ALA A 55 -1.325 -0.223 6.728 1.00 0.00 O ATOM 1354 CB ALA A 55 0.326 1.647 8.675 1.00 0.00 C ATOM 0 H ALA A 55 0.354 -0.852 9.088 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.572 1.291 9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.044 2.628 8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.828 1.763 9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.001 1.163 7.969 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.674 1.475 7.315 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.484 1.393 6.110 1.00 0.00 C ATOM 1362 C GLN A 56 -2.707 1.924 4.908 1.00 0.00 C ATOM 1363 O GLN A 56 -2.868 3.077 4.510 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.779 2.187 6.291 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.498 1.914 7.603 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.944 2.371 7.577 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -7.835 1.684 8.085 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -7.190 3.534 6.993 1.00 0.00 N ATOM 0 H GLN A 56 -2.952 2.215 7.960 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.733 0.347 5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.552 3.251 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.452 1.956 5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.461 0.846 7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.974 2.421 8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.425 4.072 6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.144 3.892 6.951 1.00 0.00 H new ATOM 1377 N LEU A 57 -1.868 1.071 4.336 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.006 1.456 3.224 1.00 0.00 C ATOM 1379 C LEU A 57 -1.821 1.811 1.985 1.00 0.00 C ATOM 1380 O LEU A 57 -1.328 2.484 1.086 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.020 0.328 2.906 1.00 0.00 C ATOM 1382 CG LEU A 57 1.006 0.043 4.002 1.00 0.00 C ATOM 1383 CD1 LEU A 57 1.811 -1.200 3.669 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.924 1.239 4.193 1.00 0.00 C ATOM 0 H LEU A 57 -1.765 0.099 4.626 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.449 2.344 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.584 -0.584 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.511 0.577 1.987 1.00 0.00 H new ATOM 0 HG LEU A 57 0.473 -0.135 4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.536 -1.387 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.141 -2.055 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.335 -1.052 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.649 1.020 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.449 1.447 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.333 2.109 4.478 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.066 1.354 1.947 1.00 0.00 N ATOM 1397 CA GLY A 58 -3.943 1.684 0.844 1.00 0.00 C ATOM 1398 C GLY A 58 -4.610 3.039 1.016 1.00 0.00 C ATOM 1399 O GLY A 58 -5.068 3.640 0.044 1.00 0.00 O ATOM 0 H GLY A 58 -3.484 0.759 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.372 1.679 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.709 0.915 0.751 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.658 3.524 2.253 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.317 4.796 2.549 1.00 0.00 C ATOM 1405 C ASP A 59 -4.293 5.912 2.633 1.00 0.00 C ATOM 1406 O ASP A 59 -4.610 7.096 2.506 1.00 0.00 O ATOM 1407 CB ASP A 59 -6.164 4.673 3.831 1.00 0.00 C ATOM 1408 CG ASP A 59 -5.962 5.797 4.836 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -6.570 6.878 4.666 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -5.226 5.592 5.820 1.00 0.00 O ATOM 0 H ASP A 59 -4.251 3.059 3.065 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.000 5.049 1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.217 4.638 3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.930 3.725 4.315 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.061 5.505 2.788 1.00 0.00 N ATOM 1416 CA ILE A 60 -1.931 6.415 2.768 1.00 0.00 C ATOM 1417 C ILE A 60 -1.247 6.319 1.411 1.00 0.00 C ATOM 1418 O ILE A 60 -1.194 5.243 0.824 1.00 0.00 O ATOM 1419 CB ILE A 60 -0.918 6.090 3.894 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.645 5.910 5.229 1.00 0.00 C ATOM 1421 CG2 ILE A 60 0.134 7.187 4.006 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.760 5.381 6.339 1.00 0.00 C ATOM 0 H ILE A 60 -2.805 4.528 2.933 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.296 7.428 2.937 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.414 5.157 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.064 6.868 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.482 5.227 5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.835 6.939 4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.673 7.272 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.352 8.136 4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.345 5.280 7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.361 4.408 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.063 6.075 6.510 1.00 0.00 H new ATOM 1434 N GLY A 61 -0.754 7.441 0.905 1.00 0.00 N ATOM 1435 CA GLY A 61 -0.118 7.459 -0.407 1.00 0.00 C ATOM 1436 C GLY A 61 1.252 6.793 -0.427 1.00 0.00 C ATOM 1437 O GLY A 61 2.246 7.414 -0.810 1.00 0.00 O ATOM 0 H GLY A 61 -0.781 8.344 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.768 6.957 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.016 8.492 -0.738 1.00 0.00 H new ATOM 1441 N THR A 62 1.303 5.535 -0.024 1.00 0.00 N ATOM 1442 CA THR A 62 2.548 4.791 0.025 1.00 0.00 C ATOM 1443 C THR A 62 2.684 3.847 -1.165 1.00 0.00 C ATOM 1444 O THR A 62 1.724 3.184 -1.556 1.00 0.00 O ATOM 1445 CB THR A 62 2.641 3.965 1.319 1.00 0.00 C ATOM 1446 OG1 THR A 62 2.000 4.668 2.393 1.00 0.00 O ATOM 1447 CG2 THR A 62 4.091 3.676 1.678 1.00 0.00 C ATOM 0 H THR A 62 0.486 5.003 0.277 1.00 0.00 H new ATOM 0 HA THR A 62 3.354 5.524 -0.006 1.00 0.00 H new ATOM 0 HB THR A 62 2.134 3.014 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.061 4.137 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.129 3.091 2.597 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.561 3.114 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.624 4.616 1.824 1.00 0.00 H new ATOM 1455 N SER A 63 3.875 3.795 -1.737 1.00 0.00 N ATOM 1456 CA SER A 63 4.186 2.809 -2.755 1.00 0.00 C ATOM 1457 C SER A 63 4.777 1.570 -2.089 1.00 0.00 C ATOM 1458 O SER A 63 5.995 1.382 -2.056 1.00 0.00 O ATOM 1459 CB SER A 63 5.159 3.395 -3.778 1.00 0.00 C ATOM 1460 OG SER A 63 5.411 4.769 -3.511 1.00 0.00 O ATOM 0 H SER A 63 4.644 4.427 -1.512 1.00 0.00 H new ATOM 0 HA SER A 63 3.275 2.527 -3.283 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.096 2.838 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.748 3.285 -4.781 1.00 0.00 H new ATOM 0 HG SER A 63 6.037 5.122 -4.177 1.00 0.00 H new ATOM 1466 N SER A 64 3.905 0.744 -1.527 1.00 0.00 N ATOM 1467 CA SER A 64 4.325 -0.430 -0.782 1.00 0.00 C ATOM 1468 C SER A 64 4.899 -1.496 -1.709 1.00 0.00 C ATOM 1469 O SER A 64 4.618 -1.515 -2.912 1.00 0.00 O ATOM 1470 CB SER A 64 3.132 -0.986 -0.008 1.00 0.00 C ATOM 1471 OG SER A 64 1.955 -0.262 -0.323 1.00 0.00 O ATOM 0 H SER A 64 2.894 0.869 -1.575 1.00 0.00 H new ATOM 0 HA SER A 64 5.112 -0.141 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.993 -2.040 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.326 -0.927 1.063 1.00 0.00 H new ATOM 0 HG SER A 64 1.199 -0.632 0.180 1.00 0.00 H new ATOM 1477 N TYR A 65 5.702 -2.383 -1.144 1.00 0.00 N ATOM 1478 CA TYR A 65 6.324 -3.449 -1.912 1.00 0.00 C ATOM 1479 C TYR A 65 5.876 -4.799 -1.382 1.00 0.00 C ATOM 1480 O TYR A 65 5.326 -4.894 -0.282 1.00 0.00 O ATOM 1481 CB TYR A 65 7.851 -3.349 -1.852 1.00 0.00 C ATOM 1482 CG TYR A 65 8.376 -1.931 -1.830 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.452 -1.179 -2.994 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.793 -1.345 -0.641 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.929 0.116 -2.975 1.00 0.00 C ATOM 1486 CE2 TYR A 65 9.272 -0.050 -0.615 1.00 0.00 C ATOM 1487 CZ TYR A 65 9.338 0.676 -1.785 1.00 0.00 C ATOM 1488 OH TYR A 65 9.817 1.966 -1.762 1.00 0.00 O ATOM 0 H TYR A 65 5.939 -2.385 -0.152 1.00 0.00 H new ATOM 0 HA TYR A 65 6.013 -3.346 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.204 -3.870 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.273 -3.868 -2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.133 -1.614 -3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.742 -1.911 0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.981 0.688 -3.890 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.593 0.392 0.317 1.00 0.00 H new ATOM 0 HH TYR A 65 9.800 2.337 -2.669 1.00 0.00 H new ATOM 1498 N THR A 66 6.099 -5.836 -2.166 1.00 0.00 N ATOM 1499 CA THR A 66 5.721 -7.172 -1.768 1.00 0.00 C ATOM 1500 C THR A 66 6.608 -8.217 -2.429 1.00 0.00 C ATOM 1501 O THR A 66 7.378 -7.915 -3.339 1.00 0.00 O ATOM 1502 CB THR A 66 4.239 -7.459 -2.100 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.764 -8.552 -1.307 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.042 -7.767 -3.579 1.00 0.00 C ATOM 0 H THR A 66 6.541 -5.776 -3.083 1.00 0.00 H new ATOM 0 HA THR A 66 5.854 -7.233 -0.688 1.00 0.00 H new ATOM 0 HB THR A 66 3.666 -6.561 -1.868 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.638 -8.254 -0.382 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.987 -7.963 -3.772 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.368 -6.914 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.630 -8.644 -3.849 1.00 0.00 H new ATOM 1512 N LYS A 67 6.493 -9.442 -1.947 1.00 0.00 N ATOM 1513 CA LYS A 67 7.245 -10.562 -2.480 1.00 0.00 C ATOM 1514 C LYS A 67 6.352 -11.794 -2.529 1.00 0.00 C ATOM 1515 O LYS A 67 5.983 -12.271 -3.599 1.00 0.00 O ATOM 1516 CB LYS A 67 8.479 -10.826 -1.614 1.00 0.00 C ATOM 1517 CG LYS A 67 9.771 -10.957 -2.407 1.00 0.00 C ATOM 1518 CD LYS A 67 10.988 -10.646 -1.552 1.00 0.00 C ATOM 1519 CE LYS A 67 12.261 -11.220 -2.153 1.00 0.00 C ATOM 1520 NZ LYS A 67 13.140 -10.157 -2.708 1.00 0.00 N ATOM 0 H LYS A 67 5.874 -9.687 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 67 7.580 -10.327 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.586 -10.014 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.321 -11.740 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.854 -11.969 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.744 -10.281 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.091 -9.566 -1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.843 -11.053 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.803 -11.778 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.004 -11.927 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.135 -10.442 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.921 -10.016 -3.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.980 -9.269 -2.191 1.00 0.00 H new ATOM 1534 N SER A 68 5.979 -12.283 -1.356 1.00 0.00 N ATOM 1535 CA SER A 68 5.104 -13.437 -1.245 1.00 0.00 C ATOM 1536 C SER A 68 3.644 -13.008 -1.083 1.00 0.00 C ATOM 1537 O SER A 68 2.828 -13.739 -0.525 1.00 0.00 O ATOM 1538 CB SER A 68 5.547 -14.279 -0.050 1.00 0.00 C ATOM 1539 OG SER A 68 6.891 -13.981 0.294 1.00 0.00 O ATOM 0 H SER A 68 6.273 -11.893 -0.460 1.00 0.00 H new ATOM 0 HA SER A 68 5.173 -14.027 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.895 -14.084 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.452 -15.338 -0.288 1.00 0.00 H new ATOM 0 HG SER A 68 6.920 -13.591 1.192 1.00 0.00 H new ATOM 1545 N GLY A 69 3.320 -11.811 -1.566 1.00 0.00 N ATOM 1546 CA GLY A 69 1.958 -11.317 -1.468 1.00 0.00 C ATOM 1547 C GLY A 69 1.655 -10.723 -0.107 1.00 0.00 C ATOM 1548 O GLY A 69 0.497 -10.516 0.247 1.00 0.00 O ATOM 0 H GLY A 69 3.975 -11.176 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.792 -10.562 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.263 -12.133 -1.668 1.00 0.00 H new ATOM 1552 N MET A 70 2.702 -10.448 0.660 1.00 0.00 N ATOM 1553 CA MET A 70 2.545 -9.862 1.984 1.00 0.00 C ATOM 1554 C MET A 70 2.561 -8.339 1.893 1.00 0.00 C ATOM 1555 O MET A 70 3.410 -7.764 1.212 1.00 0.00 O ATOM 1556 CB MET A 70 3.662 -10.343 2.914 1.00 0.00 C ATOM 1557 CG MET A 70 3.230 -11.441 3.876 1.00 0.00 C ATOM 1558 SD MET A 70 4.451 -11.748 5.171 1.00 0.00 S ATOM 1559 CE MET A 70 4.450 -13.540 5.217 1.00 0.00 C ATOM 0 H MET A 70 3.669 -10.622 0.387 1.00 0.00 H new ATOM 0 HA MET A 70 1.586 -10.181 2.393 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.493 -10.708 2.310 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.034 -9.495 3.489 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.281 -11.164 4.335 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.058 -12.361 3.318 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.157 -13.885 5.971 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.451 -13.897 5.466 1.00 0.00 H new ATOM 0 HE3 MET A 70 4.742 -13.929 4.241 1.00 0.00 H new ATOM 1569 N ILE A 71 1.620 -7.695 2.566 1.00 0.00 N ATOM 1570 CA ILE A 71 1.542 -6.236 2.568 1.00 0.00 C ATOM 1571 C ILE A 71 2.448 -5.668 3.651 1.00 0.00 C ATOM 1572 O ILE A 71 2.217 -5.892 4.841 1.00 0.00 O ATOM 1573 CB ILE A 71 0.101 -5.725 2.798 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.929 -6.746 2.306 1.00 0.00 C ATOM 1575 CG2 ILE A 71 -0.102 -4.387 2.101 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.486 -7.624 3.408 1.00 0.00 C ATOM 0 H ILE A 71 0.898 -8.157 3.119 1.00 0.00 H new ATOM 0 HA ILE A 71 1.867 -5.898 1.584 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.045 -5.588 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.751 -6.217 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.468 -7.378 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.121 -4.039 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.602 -3.658 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.067 -4.505 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.209 -8.322 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.674 -8.181 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.977 -7.001 4.156 1.00 0.00 H new ATOM 1588 N LEU A 72 3.485 -4.957 3.236 1.00 0.00 N ATOM 1589 CA LEU A 72 4.458 -4.403 4.167 1.00 0.00 C ATOM 1590 C LEU A 72 4.911 -3.022 3.699 1.00 0.00 C ATOM 1591 O LEU A 72 4.788 -2.693 2.514 1.00 0.00 O ATOM 1592 CB LEU A 72 5.661 -5.345 4.279 1.00 0.00 C ATOM 1593 CG LEU A 72 5.652 -6.279 5.493 1.00 0.00 C ATOM 1594 CD1 LEU A 72 4.876 -7.553 5.206 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.069 -6.620 5.911 1.00 0.00 C ATOM 0 H LEU A 72 3.676 -4.749 2.256 1.00 0.00 H new ATOM 0 HA LEU A 72 3.993 -4.301 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.711 -5.952 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.570 -4.744 4.311 1.00 0.00 H new ATOM 0 HG LEU A 72 5.155 -5.754 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.889 -8.194 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.845 -7.302 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.336 -8.078 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.044 -7.284 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.582 -7.116 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.601 -5.705 6.172 1.00 0.00 H new ATOM 1607 N CYS A 73 5.434 -2.219 4.623 1.00 0.00 N ATOM 1608 CA CYS A 73 5.873 -0.870 4.295 1.00 0.00 C ATOM 1609 C CYS A 73 7.304 -0.879 3.759 1.00 0.00 C ATOM 1610 O CYS A 73 7.876 -1.933 3.497 1.00 0.00 O ATOM 1611 CB CYS A 73 5.770 0.066 5.505 1.00 0.00 C ATOM 1612 SG CYS A 73 4.279 -0.166 6.523 1.00 0.00 S ATOM 0 H CYS A 73 5.563 -2.480 5.601 1.00 0.00 H new ATOM 0 HA CYS A 73 5.208 -0.493 3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.649 -0.078 6.134 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.796 1.097 5.153 1.00 0.00 H new ATOM 0 HG CYS A 73 4.127 -1.429 6.789 1.00 0.00 H new ATOM 1617 N ARG A 74 7.877 0.304 3.617 1.00 0.00 N ATOM 1618 CA ARG A 74 9.178 0.462 2.977 1.00 0.00 C ATOM 1619 C ARG A 74 10.301 -0.191 3.786 1.00 0.00 C ATOM 1620 O ARG A 74 11.016 -1.060 3.281 1.00 0.00 O ATOM 1621 CB ARG A 74 9.488 1.947 2.769 1.00 0.00 C ATOM 1622 CG ARG A 74 8.275 2.785 2.391 1.00 0.00 C ATOM 1623 CD ARG A 74 8.224 3.039 0.895 1.00 0.00 C ATOM 1624 NE ARG A 74 7.584 4.314 0.574 1.00 0.00 N ATOM 1625 CZ ARG A 74 7.590 4.857 -0.644 1.00 0.00 C ATOM 1626 NH1 ARG A 74 8.216 4.240 -1.638 1.00 0.00 N ATOM 1627 NH2 ARG A 74 6.974 6.011 -0.862 1.00 0.00 N ATOM 0 H ARG A 74 7.460 1.178 3.938 1.00 0.00 H new ATOM 0 HA ARG A 74 9.127 -0.042 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.923 2.348 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.242 2.044 1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.365 2.274 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.308 3.736 2.923 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.237 3.031 0.492 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.681 2.229 0.409 1.00 0.00 H new ATOM 0 HE ARG A 74 7.107 4.816 1.323 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.691 3.353 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.222 4.653 -2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.494 6.485 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.980 6.424 -1.795 1.00 0.00 H new ATOM 1641 N ASN A 75 10.439 0.206 5.043 1.00 0.00 N ATOM 1642 CA ASN A 75 11.574 -0.225 5.858 1.00 0.00 C ATOM 1643 C ASN A 75 11.404 -1.665 6.338 1.00 0.00 C ATOM 1644 O ASN A 75 12.339 -2.465 6.279 1.00 0.00 O ATOM 1645 CB ASN A 75 11.771 0.740 7.044 1.00 0.00 C ATOM 1646 CG ASN A 75 11.668 0.074 8.410 1.00 0.00 C ATOM 1647 OD1 ASN A 75 12.649 -0.454 8.938 1.00 0.00 O ATOM 1648 ND2 ASN A 75 10.480 0.102 8.993 1.00 0.00 N ATOM 0 H ASN A 75 9.784 0.823 5.522 1.00 0.00 H new ATOM 0 HA ASN A 75 12.470 -0.199 5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.749 1.213 6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.026 1.533 6.981 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.352 -0.323 9.911 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.692 0.549 8.524 1.00 0.00 H new ATOM 1655 N ASP A 76 10.203 -1.999 6.785 1.00 0.00 N ATOM 1656 CA ASP A 76 9.936 -3.304 7.372 1.00 0.00 C ATOM 1657 C ASP A 76 10.009 -4.406 6.323 1.00 0.00 C ATOM 1658 O ASP A 76 10.442 -5.520 6.619 1.00 0.00 O ATOM 1659 CB ASP A 76 8.573 -3.343 8.090 1.00 0.00 C ATOM 1660 CG ASP A 76 7.580 -2.300 7.592 1.00 0.00 C ATOM 1661 OD1 ASP A 76 7.946 -1.100 7.543 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.439 -2.682 7.256 1.00 0.00 O ATOM 0 H ASP A 76 9.393 -1.380 6.752 1.00 0.00 H new ATOM 0 HA ASP A 76 10.713 -3.480 8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.136 -4.334 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.732 -3.197 9.158 1.00 0.00 H new ATOM 1667 N TYR A 77 9.605 -4.100 5.094 1.00 0.00 N ATOM 1668 CA TYR A 77 9.669 -5.083 4.020 1.00 0.00 C ATOM 1669 C TYR A 77 11.120 -5.415 3.684 1.00 0.00 C ATOM 1670 O TYR A 77 11.466 -6.581 3.489 1.00 0.00 O ATOM 1671 CB TYR A 77 8.944 -4.586 2.768 1.00 0.00 C ATOM 1672 CG TYR A 77 9.329 -5.336 1.518 1.00 0.00 C ATOM 1673 CD1 TYR A 77 8.962 -6.663 1.338 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.082 -4.721 0.526 1.00 0.00 C ATOM 1675 CE1 TYR A 77 9.331 -7.356 0.202 1.00 0.00 C ATOM 1676 CE2 TYR A 77 10.458 -5.407 -0.611 1.00 0.00 C ATOM 1677 CZ TYR A 77 10.078 -6.723 -0.768 1.00 0.00 C ATOM 1678 OH TYR A 77 10.463 -7.414 -1.889 1.00 0.00 O ATOM 0 H TYR A 77 9.234 -3.190 4.820 1.00 0.00 H new ATOM 0 HA TYR A 77 9.169 -5.986 4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.868 -4.675 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.159 -3.527 2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.379 -7.161 2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.378 -3.689 0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.036 -8.387 0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.046 -4.916 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 77 11.435 -7.542 -1.877 1.00 0.00 H new ATOM 1688 N ILE A 78 11.961 -4.389 3.619 1.00 0.00 N ATOM 1689 CA ILE A 78 13.377 -4.577 3.316 1.00 0.00 C ATOM 1690 C ILE A 78 14.039 -5.434 4.389 1.00 0.00 C ATOM 1691 O ILE A 78 14.855 -6.305 4.088 1.00 0.00 O ATOM 1692 CB ILE A 78 14.114 -3.222 3.198 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.613 -2.453 1.974 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.623 -3.420 3.121 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.715 -3.232 0.679 1.00 0.00 C ATOM 0 H ILE A 78 11.688 -3.418 3.772 1.00 0.00 H new ATOM 0 HA ILE A 78 13.445 -5.086 2.355 1.00 0.00 H new ATOM 0 HB ILE A 78 13.898 -2.640 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.573 -2.169 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.184 -1.530 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.113 -2.450 3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.970 -3.927 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.866 -4.025 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.341 -2.622 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 78 14.757 -3.493 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 78 13.121 -4.143 0.754 1.00 0.00 H new ATOM 1707 N ARG A 79 13.665 -5.190 5.637 1.00 0.00 N ATOM 1708 CA ARG A 79 14.199 -5.952 6.759 1.00 0.00 C ATOM 1709 C ARG A 79 13.745 -7.412 6.691 1.00 0.00 C ATOM 1710 O ARG A 79 14.553 -8.333 6.840 1.00 0.00 O ATOM 1711 CB ARG A 79 13.748 -5.319 8.077 1.00 0.00 C ATOM 1712 CG ARG A 79 14.024 -6.178 9.301 1.00 0.00 C ATOM 1713 CD ARG A 79 15.143 -5.602 10.151 1.00 0.00 C ATOM 1714 NE ARG A 79 15.577 -6.540 11.184 1.00 0.00 N ATOM 1715 CZ ARG A 79 16.065 -6.173 12.368 1.00 0.00 C ATOM 1716 NH1 ARG A 79 16.192 -4.883 12.671 1.00 0.00 N ATOM 1717 NH2 ARG A 79 16.438 -7.093 13.247 1.00 0.00 N ATOM 0 H ARG A 79 12.993 -4.469 5.899 1.00 0.00 H new ATOM 0 HA ARG A 79 15.287 -5.932 6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 79 14.251 -4.359 8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.679 -5.114 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.117 -6.260 9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.289 -7.187 8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.989 -5.346 9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.805 -4.677 10.618 1.00 0.00 H new ATOM 0 HE ARG A 79 15.502 -7.538 10.986 1.00 0.00 H new ATOM 0 HH11 ARG A 79 15.915 -4.171 11.995 1.00 0.00 H new ATOM 0 HH12 ARG A 79 16.566 -4.607 13.579 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.351 -8.083 13.017 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.812 -6.811 14.153 1.00 0.00 H new ATOM 1731 N LEU A 80 12.451 -7.608 6.451 1.00 0.00 N ATOM 1732 CA LEU A 80 11.852 -8.935 6.451 1.00 0.00 C ATOM 1733 C LEU A 80 12.237 -9.736 5.206 1.00 0.00 C ATOM 1734 O LEU A 80 12.801 -10.827 5.309 1.00 0.00 O ATOM 1735 CB LEU A 80 10.330 -8.810 6.549 1.00 0.00 C ATOM 1736 CG LEU A 80 9.674 -9.756 7.553 1.00 0.00 C ATOM 1737 CD1 LEU A 80 8.540 -9.060 8.284 1.00 0.00 C ATOM 1738 CD2 LEU A 80 9.170 -11.002 6.849 1.00 0.00 C ATOM 0 H LEU A 80 11.793 -6.854 6.252 1.00 0.00 H new ATOM 0 HA LEU A 80 12.234 -9.477 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.080 -7.784 6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.900 -8.993 5.564 1.00 0.00 H new ATOM 0 HG LEU A 80 10.422 -10.051 8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.086 -9.751 8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.929 -8.194 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.789 -8.734 7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.705 -11.668 7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.437 -10.721 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.006 -11.513 6.372 1.00 0.00 H new ATOM 1750 N PHE A 81 11.933 -9.192 4.037 1.00 0.00 N ATOM 1751 CA PHE A 81 12.166 -9.898 2.783 1.00 0.00 C ATOM 1752 C PHE A 81 13.331 -9.297 2.006 1.00 0.00 C ATOM 1753 O PHE A 81 14.337 -9.963 1.762 1.00 0.00 O ATOM 1754 CB PHE A 81 10.916 -9.855 1.907 1.00 0.00 C ATOM 1755 CG PHE A 81 9.749 -10.622 2.455 1.00 0.00 C ATOM 1756 CD1 PHE A 81 9.649 -11.991 2.263 1.00 0.00 C ATOM 1757 CD2 PHE A 81 8.746 -9.971 3.152 1.00 0.00 C ATOM 1758 CE1 PHE A 81 8.569 -12.696 2.758 1.00 0.00 C ATOM 1759 CE2 PHE A 81 7.664 -10.672 3.650 1.00 0.00 C ATOM 1760 CZ PHE A 81 7.575 -12.038 3.452 1.00 0.00 C ATOM 0 H PHE A 81 11.524 -8.264 3.929 1.00 0.00 H new ATOM 0 HA PHE A 81 12.409 -10.930 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 81 10.619 -8.815 1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 81 11.164 -10.249 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.424 -12.512 1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 81 8.810 -8.904 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.503 -13.763 2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.888 -10.153 4.194 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.730 -12.588 3.840 1.00 0.00 H new ATOM 1770 N GLY A 82 13.183 -8.038 1.618 1.00 0.00 N ATOM 1771 CA GLY A 82 14.168 -7.406 0.768 1.00 0.00 C ATOM 1772 C GLY A 82 14.079 -7.916 -0.656 1.00 0.00 C ATOM 1773 O GLY A 82 15.126 -8.262 -1.240 1.00 0.00 O ATOM 1774 OXT GLY A 82 12.952 -7.994 -1.193 1.00 0.00 O ATOM 0 H GLY A 82 12.396 -7.443 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.021 -6.326 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.166 -7.596 1.162 1.00 0.00 H new