USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot -130:sc= 1.01 USER MOD Set 1.2: A 667 LYS NZ :NH3+ 175:sc= 2.4 (180deg=1.03) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -166:sc= 1.21 (180deg=0.0227) USER MOD Set 2.2: A 666 TYR OH : rot 180:sc= 0.858 USER MOD Set 3.1: A 50 CYS SG : rot 142:sc= 3.22 USER MOD Set 3.2: A 52 SER OG : rot 86:sc= 1.5 USER MOD Set 3.3: A 53 CYS SG : rot 60:sc= 0.418 USER MOD Set 3.4: A 73 CYS SG : rot -137:sc= -1.94! USER MOD Set 4.1: A 23 CYS SG : rot 106:sc= 1.55 USER MOD Set 4.2: A 26 CYS SG : rot 180:sc= 0.481 USER MOD Set 4.3: A 44 HIS :FLIP no HD1:sc= -3.17! C(o=-3!,f=-1.7!) USER MOD Set 4.4: A 47 CYS SG : rot 55:sc= -0.578 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 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 144:sc= -0.468 (180deg=-3.34!) USER MOD Single : A 41 SER OG : rot 120:sc= 0.586 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 129:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0.0324 (180deg=0.0205) USER MOD Single : A 51 SER OG : rot 75:sc= 1.16 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.186 F(o=-2.6!,f=-0.19) USER MOD Single : A 56 GLN : amide:sc= 0.988 K(o=0.99,f=-0.071) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.084 USER MOD Single : A 64 SER OG : rot 180:sc= 0.113 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 68 SER OG : rot 161:sc= 0.572 USER MOD Single : A 70 MET CE :methyl -169:sc= -0.164 (180deg=-0.491) USER MOD Single : A 75 ASN : amide:sc= 0.748 K(o=0.75,f=-4.1!) USER MOD Single : A 77 TYR OH : rot -96:sc= 1.09 USER MOD Single : A 664 SER OG : rot 180:sc= 0.114 USER MOD Single : A 665 GLN : amide:sc= 0.446 K(o=0.45,f=-0.067) USER MOD Single : A 668 MET CE :methyl -120:sc= -0.586 (180deg=-5.2!) USER MOD Single : A 671 THR OG1 : rot 180:sc= -0.0492 USER MOD Single : A 675 THR OG1 : rot 87:sc= 0.519 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 12.845 -1.866 -7.137 1.00 0.00 N ATOM 327 CA LEU A 663 11.817 -2.318 -6.215 1.00 0.00 C ATOM 328 C LEU A 663 10.450 -2.161 -6.862 1.00 0.00 C ATOM 329 O LEU A 663 9.424 -2.464 -6.259 1.00 0.00 O ATOM 330 CB LEU A 663 11.881 -1.534 -4.903 1.00 0.00 C ATOM 331 CG LEU A 663 12.018 -2.388 -3.641 1.00 0.00 C ATOM 332 CD1 LEU A 663 13.350 -3.123 -3.628 1.00 0.00 C ATOM 333 CD2 LEU A 663 11.877 -1.526 -2.398 1.00 0.00 C ATOM 0 HA LEU A 663 11.987 -3.370 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 663 12.725 -0.846 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 663 10.979 -0.928 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 663 11.219 -3.129 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.425 -3.724 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 663 13.415 -3.773 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 663 14.165 -2.400 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 663 11.977 -2.150 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 663 12.655 -0.762 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 663 10.898 -1.047 -2.397 1.00 0.00 H new ATOM 345 N SER A 664 10.457 -1.697 -8.105 1.00 0.00 N ATOM 346 CA SER A 664 9.237 -1.501 -8.874 1.00 0.00 C ATOM 347 C SER A 664 8.614 -2.845 -9.242 1.00 0.00 C ATOM 348 O SER A 664 7.399 -2.958 -9.415 1.00 0.00 O ATOM 349 CB SER A 664 9.555 -0.693 -10.132 1.00 0.00 C ATOM 350 OG SER A 664 10.865 -0.142 -10.057 1.00 0.00 O ATOM 0 H SER A 664 11.309 -1.446 -8.607 1.00 0.00 H new ATOM 0 HA SER A 664 8.516 -0.951 -8.269 1.00 0.00 H new ATOM 0 HB2 SER A 664 9.474 -1.332 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 664 8.825 0.107 -10.251 1.00 0.00 H new ATOM 0 HG SER A 664 11.052 0.370 -10.871 1.00 0.00 H new ATOM 356 N GLN A 665 9.458 -3.864 -9.352 1.00 0.00 N ATOM 357 CA GLN A 665 8.995 -5.224 -9.594 1.00 0.00 C ATOM 358 C GLN A 665 8.278 -5.772 -8.361 1.00 0.00 C ATOM 359 O GLN A 665 7.422 -6.653 -8.463 1.00 0.00 O ATOM 360 CB GLN A 665 10.178 -6.124 -9.968 1.00 0.00 C ATOM 361 CG GLN A 665 9.786 -7.557 -10.289 1.00 0.00 C ATOM 362 CD GLN A 665 8.835 -7.654 -11.467 1.00 0.00 C ATOM 363 OE1 GLN A 665 9.262 -7.753 -12.617 1.00 0.00 O ATOM 364 NE2 GLN A 665 7.540 -7.618 -11.192 1.00 0.00 N ATOM 0 H GLN A 665 10.471 -3.773 -9.277 1.00 0.00 H new ATOM 0 HA GLN A 665 8.289 -5.210 -10.424 1.00 0.00 H new ATOM 0 HB2 GLN A 665 10.689 -5.696 -10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 665 10.892 -6.129 -9.145 1.00 0.00 H new ATOM 0 HG2 GLN A 665 10.684 -8.136 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 665 9.319 -8.007 -9.413 1.00 0.00 H new ATOM 0 HE21 GLN A 665 7.226 -7.535 -10.225 1.00 0.00 H new ATOM 0 HE22 GLN A 665 6.857 -7.673 -11.947 1.00 0.00 H new ATOM 373 N TYR A 666 8.625 -5.229 -7.201 1.00 0.00 N ATOM 374 CA TYR A 666 8.032 -5.653 -5.939 1.00 0.00 C ATOM 375 C TYR A 666 6.946 -4.674 -5.506 1.00 0.00 C ATOM 376 O TYR A 666 6.303 -4.856 -4.469 1.00 0.00 O ATOM 377 CB TYR A 666 9.103 -5.737 -4.851 1.00 0.00 C ATOM 378 CG TYR A 666 10.216 -6.716 -5.155 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.946 -8.063 -5.361 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.539 -6.292 -5.222 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.962 -8.960 -5.627 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.561 -7.186 -5.483 1.00 0.00 C ATOM 383 CZ TYR A 666 12.267 -8.519 -5.685 1.00 0.00 C ATOM 384 OH TYR A 666 13.280 -9.420 -5.928 1.00 0.00 O ATOM 0 H TYR A 666 9.320 -4.488 -7.108 1.00 0.00 H new ATOM 0 HA TYR A 666 7.589 -6.638 -6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.535 -4.747 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.630 -6.022 -3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.926 -8.414 -5.312 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.772 -5.249 -5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 666 10.735 -10.003 -5.789 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.584 -6.843 -5.529 1.00 0.00 H new ATOM 0 HH TYR A 666 14.140 -8.950 -5.939 1.00 0.00 H new ATOM 394 N LYS A 667 6.750 -3.637 -6.311 1.00 0.00 N ATOM 395 CA LYS A 667 5.811 -2.575 -5.984 1.00 0.00 C ATOM 396 C LYS A 667 4.375 -3.035 -6.175 1.00 0.00 C ATOM 397 O LYS A 667 4.023 -3.619 -7.198 1.00 0.00 O ATOM 398 CB LYS A 667 6.063 -1.346 -6.857 1.00 0.00 C ATOM 399 CG LYS A 667 6.257 -0.061 -6.071 1.00 0.00 C ATOM 400 CD LYS A 667 4.962 0.728 -5.971 1.00 0.00 C ATOM 401 CE LYS A 667 5.159 2.179 -6.380 1.00 0.00 C ATOM 402 NZ LYS A 667 3.862 2.871 -6.604 1.00 0.00 N ATOM 0 H LYS A 667 7.233 -3.510 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 667 5.964 -2.315 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 667 6.947 -1.523 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 667 5.223 -1.219 -7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 667 6.620 -0.296 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 667 7.021 0.550 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 667 4.205 0.269 -6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 667 4.587 0.685 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 667 5.721 2.702 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 667 5.756 2.222 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 4.035 3.878 -6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 3.374 2.441 -7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 3.268 2.779 -5.755 1.00 0.00 H new ATOM 416 N MET A 668 3.551 -2.761 -5.186 1.00 0.00 N ATOM 417 CA MET A 668 2.134 -3.051 -5.278 1.00 0.00 C ATOM 418 C MET A 668 1.378 -1.767 -5.574 1.00 0.00 C ATOM 419 O MET A 668 0.908 -1.086 -4.662 1.00 0.00 O ATOM 420 CB MET A 668 1.627 -3.676 -3.976 1.00 0.00 C ATOM 421 CG MET A 668 1.126 -5.101 -4.137 1.00 0.00 C ATOM 422 SD MET A 668 0.146 -5.654 -2.728 1.00 0.00 S ATOM 423 CE MET A 668 1.430 -5.906 -1.502 1.00 0.00 C ATOM 0 H MET A 668 3.839 -2.336 -4.305 1.00 0.00 H new ATOM 0 HA MET A 668 1.967 -3.765 -6.084 1.00 0.00 H new ATOM 0 HB2 MET A 668 2.431 -3.664 -3.240 1.00 0.00 H new ATOM 0 HB3 MET A 668 0.821 -3.060 -3.577 1.00 0.00 H new ATOM 0 HG2 MET A 668 0.524 -5.171 -5.043 1.00 0.00 H new ATOM 0 HG3 MET A 668 1.977 -5.769 -4.268 1.00 0.00 H new ATOM 0 HE1 MET A 668 1.426 -6.947 -1.180 1.00 0.00 H new ATOM 0 HE2 MET A 668 2.400 -5.664 -1.936 1.00 0.00 H new ATOM 0 HE3 MET A 668 1.245 -5.260 -0.644 1.00 0.00 H new ATOM 433 N ASP A 669 1.286 -1.424 -6.851 1.00 0.00 N ATOM 434 CA ASP A 669 0.638 -0.182 -7.251 1.00 0.00 C ATOM 435 C ASP A 669 -0.871 -0.290 -7.102 1.00 0.00 C ATOM 436 O ASP A 669 -1.516 -1.125 -7.741 1.00 0.00 O ATOM 437 CB ASP A 669 1.002 0.195 -8.685 1.00 0.00 C ATOM 438 CG ASP A 669 1.399 1.652 -8.797 1.00 0.00 C ATOM 439 OD1 ASP A 669 0.502 2.512 -8.930 1.00 0.00 O ATOM 440 OD2 ASP A 669 2.609 1.947 -8.735 1.00 0.00 O ATOM 0 H ASP A 669 1.649 -1.983 -7.623 1.00 0.00 H new ATOM 0 HA ASP A 669 0.999 0.607 -6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 669 1.823 -0.434 -9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 669 0.153 -0.002 -9.340 1.00 0.00 H new ATOM 445 N VAL A 670 -1.421 0.560 -6.254 1.00 0.00 N ATOM 446 CA VAL A 670 -2.829 0.491 -5.899 1.00 0.00 C ATOM 447 C VAL A 670 -3.700 1.223 -6.909 1.00 0.00 C ATOM 448 O VAL A 670 -3.483 2.400 -7.197 1.00 0.00 O ATOM 449 CB VAL A 670 -3.087 1.084 -4.496 1.00 0.00 C ATOM 450 CG1 VAL A 670 -4.369 0.523 -3.910 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.914 0.818 -3.565 1.00 0.00 C ATOM 0 H VAL A 670 -0.909 1.313 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 670 -3.094 -0.566 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 670 -3.195 2.164 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -4.535 0.951 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -5.207 0.775 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -4.287 -0.561 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -2.123 1.246 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.764 -0.257 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -1.013 1.274 -3.976 1.00 0.00 H new ATOM 461 N THR A 671 -4.672 0.513 -7.453 1.00 0.00 N ATOM 462 CA THR A 671 -5.656 1.109 -8.337 1.00 0.00 C ATOM 463 C THR A 671 -6.931 1.407 -7.547 1.00 0.00 C ATOM 464 O THR A 671 -7.332 0.614 -6.695 1.00 0.00 O ATOM 465 CB THR A 671 -5.965 0.174 -9.529 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.865 -0.733 -9.717 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.188 0.975 -10.803 1.00 0.00 C ATOM 0 H THR A 671 -4.801 -0.487 -7.296 1.00 0.00 H new ATOM 0 HA THR A 671 -5.253 2.039 -8.739 1.00 0.00 H new ATOM 0 HB THR A 671 -6.876 -0.383 -9.309 1.00 0.00 H new ATOM 0 HG1 THR A 671 -5.058 -1.329 -10.471 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.404 0.295 -11.627 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.029 1.654 -10.663 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.291 1.551 -11.033 1.00 0.00 H new ATOM 475 N VAL A 672 -7.548 2.554 -7.791 1.00 0.00 N ATOM 476 CA VAL A 672 -8.745 2.923 -7.047 1.00 0.00 C ATOM 477 C VAL A 672 -10.001 2.496 -7.803 1.00 0.00 C ATOM 478 O VAL A 672 -10.045 2.545 -9.035 1.00 0.00 O ATOM 479 CB VAL A 672 -8.789 4.442 -6.736 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.245 5.249 -7.945 1.00 0.00 C ATOM 481 CG2 VAL A 672 -9.689 4.716 -5.535 1.00 0.00 C ATOM 0 H VAL A 672 -7.246 3.236 -8.487 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.710 2.395 -6.094 1.00 0.00 H new ATOM 0 HB VAL A 672 -7.775 4.760 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.264 6.308 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -8.554 5.087 -8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -10.245 4.929 -8.240 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -9.708 5.787 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -10.700 4.370 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -9.303 4.188 -4.663 1.00 0.00 H new ATOM 491 N ILE A 673 -11.001 2.043 -7.068 1.00 0.00 N ATOM 492 CA ILE A 673 -12.257 1.632 -7.670 1.00 0.00 C ATOM 493 C ILE A 673 -13.352 2.646 -7.367 1.00 0.00 C ATOM 494 O ILE A 673 -13.627 2.949 -6.208 1.00 0.00 O ATOM 495 CB ILE A 673 -12.686 0.230 -7.181 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.831 -0.848 -7.852 1.00 0.00 C ATOM 497 CG2 ILE A 673 -14.163 -0.016 -7.459 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.711 -1.365 -6.977 1.00 0.00 C ATOM 0 H ILE A 673 -10.968 1.950 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 673 -12.104 1.584 -8.748 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.532 0.182 -6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.472 -1.682 -8.138 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -11.406 -0.443 -8.770 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.439 -1.009 -7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.761 0.733 -6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -14.348 0.052 -8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.148 -2.126 -7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -10.047 -0.542 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.130 -1.800 -6.070 1.00 0.00 H new ATOM 510 N ASP A 674 -13.960 3.169 -8.422 1.00 0.00 N ATOM 511 CA ASP A 674 -15.022 4.154 -8.293 1.00 0.00 C ATOM 512 C ASP A 674 -16.355 3.469 -7.997 1.00 0.00 C ATOM 513 O ASP A 674 -16.788 2.579 -8.734 1.00 0.00 O ATOM 514 CB ASP A 674 -15.112 4.993 -9.577 1.00 0.00 C ATOM 515 CG ASP A 674 -16.513 5.495 -9.874 1.00 0.00 C ATOM 516 OD1 ASP A 674 -16.897 6.555 -9.340 1.00 0.00 O ATOM 517 OD2 ASP A 674 -17.224 4.845 -10.673 1.00 0.00 O ATOM 0 H ASP A 674 -13.732 2.924 -9.386 1.00 0.00 H new ATOM 0 HA ASP A 674 -14.793 4.816 -7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -14.439 5.846 -9.492 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -14.763 4.394 -10.418 1.00 0.00 H new ATOM 522 N THR A 675 -16.973 3.858 -6.896 1.00 0.00 N ATOM 523 CA THR A 675 -18.287 3.357 -6.531 1.00 0.00 C ATOM 524 C THR A 675 -19.335 4.451 -6.707 1.00 0.00 C ATOM 525 O THR A 675 -19.248 5.511 -6.081 1.00 0.00 O ATOM 526 CB THR A 675 -18.299 2.853 -5.074 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.950 2.653 -4.618 1.00 0.00 O ATOM 528 CG2 THR A 675 -19.080 1.551 -4.961 1.00 0.00 C ATOM 0 H THR A 675 -16.581 4.526 -6.233 1.00 0.00 H new ATOM 0 HA THR A 675 -18.525 2.521 -7.189 1.00 0.00 H new ATOM 0 HB THR A 675 -18.786 3.604 -4.451 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.599 3.493 -4.255 1.00 0.00 H new ATOM 0 HG21 THR A 675 -19.076 1.213 -3.925 1.00 0.00 H new ATOM 0 HG22 THR A 675 -20.108 1.714 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 675 -18.616 0.793 -5.592 1.00 0.00 H new ATOM 806 N TRP A 20 -21.462 -6.312 -1.644 1.00 0.00 N ATOM 807 CA TRP A 20 -20.560 -5.342 -2.270 1.00 0.00 C ATOM 808 C TRP A 20 -19.446 -6.052 -3.027 1.00 0.00 C ATOM 809 O TRP A 20 -19.692 -6.702 -4.046 1.00 0.00 O ATOM 810 CB TRP A 20 -19.974 -4.395 -1.215 1.00 0.00 C ATOM 811 CG TRP A 20 -20.992 -3.922 -0.225 1.00 0.00 C ATOM 812 CD1 TRP A 20 -22.188 -3.343 -0.509 1.00 0.00 C ATOM 813 CD2 TRP A 20 -20.910 -3.996 1.199 1.00 0.00 C ATOM 814 NE1 TRP A 20 -22.860 -3.052 0.648 1.00 0.00 N ATOM 815 CE2 TRP A 20 -22.098 -3.440 1.712 1.00 0.00 C ATOM 816 CE3 TRP A 20 -19.952 -4.475 2.091 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -22.356 -3.355 3.072 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -20.207 -4.388 3.445 1.00 0.00 C ATOM 819 CH2 TRP A 20 -21.402 -3.832 3.925 1.00 0.00 C ATOM 0 HA TRP A 20 -21.135 -4.752 -2.983 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.169 -4.904 -0.685 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -19.532 -3.533 -1.714 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -22.556 -3.141 -1.504 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -23.780 -2.616 0.705 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.029 -4.905 1.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -23.276 -2.928 3.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -19.473 -4.755 4.147 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -21.571 -3.780 4.990 1.00 0.00 H new ATOM 830 N LYS A 21 -18.233 -5.940 -2.520 1.00 0.00 N ATOM 831 CA LYS A 21 -17.097 -6.618 -3.108 1.00 0.00 C ATOM 832 C LYS A 21 -16.435 -7.513 -2.075 1.00 0.00 C ATOM 833 O LYS A 21 -16.053 -7.050 -0.997 1.00 0.00 O ATOM 834 CB LYS A 21 -16.088 -5.612 -3.664 1.00 0.00 C ATOM 835 CG LYS A 21 -15.904 -5.705 -5.169 1.00 0.00 C ATOM 836 CD LYS A 21 -17.000 -4.958 -5.907 1.00 0.00 C ATOM 837 CE LYS A 21 -17.304 -5.596 -7.251 1.00 0.00 C ATOM 838 NZ LYS A 21 -17.967 -4.639 -8.173 1.00 0.00 N ATOM 0 H LYS A 21 -18.010 -5.381 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.453 -7.232 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.414 -4.604 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.125 -5.769 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.933 -5.295 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.906 -6.752 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.904 -4.942 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.698 -3.921 -6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.379 -5.955 -7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.945 -6.465 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.160 -5.108 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.862 -4.316 -7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.344 -3.821 -8.332 1.00 0.00 H new ATOM 852 N ARG A 22 -16.333 -8.794 -2.398 1.00 0.00 N ATOM 853 CA ARG A 22 -15.699 -9.761 -1.513 1.00 0.00 C ATOM 854 C ARG A 22 -14.221 -9.435 -1.345 1.00 0.00 C ATOM 855 O ARG A 22 -13.497 -9.263 -2.328 1.00 0.00 O ATOM 856 CB ARG A 22 -15.863 -11.177 -2.068 1.00 0.00 C ATOM 857 CG ARG A 22 -16.110 -12.231 -0.998 1.00 0.00 C ATOM 858 CD ARG A 22 -14.802 -12.793 -0.462 1.00 0.00 C ATOM 859 NE ARG A 22 -14.349 -13.955 -1.230 1.00 0.00 N ATOM 860 CZ ARG A 22 -13.116 -14.465 -1.168 1.00 0.00 C ATOM 861 NH1 ARG A 22 -12.185 -13.894 -0.414 1.00 0.00 N ATOM 862 NH2 ARG A 22 -12.812 -15.538 -1.884 1.00 0.00 N ATOM 0 H ARG A 22 -16.683 -9.190 -3.271 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.184 -9.707 -0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.694 -11.187 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.967 -11.444 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.683 -11.794 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.712 -13.039 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.036 -12.018 -0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.930 -13.076 0.583 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.019 -14.405 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.408 -13.057 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.247 -14.292 -0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.518 -15.971 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.872 -15.931 -1.840 1.00 0.00 H new ATOM 876 N CYS A 23 -13.780 -9.350 -0.099 1.00 0.00 N ATOM 877 CA CYS A 23 -12.410 -8.992 0.189 1.00 0.00 C ATOM 878 C CYS A 23 -11.549 -10.243 0.356 1.00 0.00 C ATOM 879 O CYS A 23 -12.054 -11.321 0.685 1.00 0.00 O ATOM 880 CB CYS A 23 -12.365 -8.078 1.415 1.00 0.00 C ATOM 881 SG CYS A 23 -12.309 -8.912 3.031 1.00 0.00 S ATOM 0 H CYS A 23 -14.355 -9.525 0.725 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.991 -8.438 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.490 -7.433 1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.241 -7.430 1.393 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.114 -8.808 3.532 1.00 0.00 H new ATOM 886 N ALA A 24 -10.254 -10.100 0.108 1.00 0.00 N ATOM 887 CA ALA A 24 -9.359 -11.249 0.026 1.00 0.00 C ATOM 888 C ALA A 24 -8.753 -11.638 1.375 1.00 0.00 C ATOM 889 O ALA A 24 -8.697 -12.823 1.713 1.00 0.00 O ATOM 890 CB ALA A 24 -8.259 -10.977 -0.984 1.00 0.00 C ATOM 0 H ALA A 24 -9.798 -9.199 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.963 -12.097 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.595 -11.839 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.701 -10.796 -1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.690 -10.100 -0.675 1.00 0.00 H new ATOM 896 N GLY A 25 -8.300 -10.648 2.136 1.00 0.00 N ATOM 897 CA GLY A 25 -7.595 -10.919 3.381 1.00 0.00 C ATOM 898 C GLY A 25 -8.488 -11.533 4.441 1.00 0.00 C ATOM 899 O GLY A 25 -8.334 -12.707 4.785 1.00 0.00 O ATOM 0 H GLY A 25 -8.408 -9.658 1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.761 -11.591 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.172 -9.990 3.763 1.00 0.00 H new ATOM 903 N CYS A 26 -9.418 -10.741 4.968 1.00 0.00 N ATOM 904 CA CYS A 26 -10.397 -11.248 5.921 1.00 0.00 C ATOM 905 C CYS A 26 -11.259 -12.328 5.273 1.00 0.00 C ATOM 906 O CYS A 26 -11.478 -13.397 5.847 1.00 0.00 O ATOM 907 CB CYS A 26 -11.288 -10.113 6.443 1.00 0.00 C ATOM 908 SG CYS A 26 -10.535 -8.455 6.346 1.00 0.00 S ATOM 0 H CYS A 26 -9.513 -9.749 4.751 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.857 -11.681 6.763 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.219 -10.109 5.876 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.548 -10.320 7.481 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.369 -7.572 6.809 1.00 0.00 H new ATOM 913 N GLY A 27 -11.726 -12.042 4.068 1.00 0.00 N ATOM 914 CA GLY A 27 -12.590 -12.965 3.368 1.00 0.00 C ATOM 915 C GLY A 27 -14.040 -12.601 3.565 1.00 0.00 C ATOM 916 O GLY A 27 -14.903 -13.470 3.682 1.00 0.00 O ATOM 0 H GLY A 27 -11.520 -11.181 3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.351 -12.958 2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.413 -13.979 3.728 1.00 0.00 H new ATOM 920 N GLY A 28 -14.302 -11.307 3.616 1.00 0.00 N ATOM 921 CA GLY A 28 -15.645 -10.834 3.833 1.00 0.00 C ATOM 922 C GLY A 28 -16.092 -9.889 2.748 1.00 0.00 C ATOM 923 O GLY A 28 -16.166 -10.263 1.578 1.00 0.00 O ATOM 0 H GLY A 28 -13.602 -10.573 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.326 -11.684 3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.701 -10.330 4.798 1.00 0.00 H new ATOM 927 N LYS A 29 -16.375 -8.658 3.129 1.00 0.00 N ATOM 928 CA LYS A 29 -16.858 -7.661 2.189 1.00 0.00 C ATOM 929 C LYS A 29 -16.230 -6.309 2.485 1.00 0.00 C ATOM 930 O LYS A 29 -16.100 -5.913 3.649 1.00 0.00 O ATOM 931 CB LYS A 29 -18.387 -7.555 2.246 1.00 0.00 C ATOM 932 CG LYS A 29 -19.020 -8.258 3.439 1.00 0.00 C ATOM 933 CD LYS A 29 -20.534 -8.314 3.318 1.00 0.00 C ATOM 934 CE LYS A 29 -21.205 -7.490 4.405 1.00 0.00 C ATOM 935 NZ LYS A 29 -22.684 -7.486 4.270 1.00 0.00 N ATOM 0 H LYS A 29 -16.279 -8.322 4.087 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.571 -7.972 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.666 -6.502 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.803 -7.974 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.623 -9.270 3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.747 -7.736 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -20.837 -7.944 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -20.868 -9.349 3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -20.932 -7.888 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -20.835 -6.466 4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.101 -6.913 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -22.947 -7.082 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.041 -8.461 4.336 1.00 0.00 H new ATOM 949 N ILE A 30 -15.830 -5.613 1.434 1.00 0.00 N ATOM 950 CA ILE A 30 -15.237 -4.296 1.575 1.00 0.00 C ATOM 951 C ILE A 30 -16.293 -3.269 1.966 1.00 0.00 C ATOM 952 O ILE A 30 -17.151 -2.894 1.165 1.00 0.00 O ATOM 953 CB ILE A 30 -14.529 -3.859 0.274 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.334 -4.768 -0.003 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.077 -2.408 0.357 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.228 -5.201 -1.446 1.00 0.00 C ATOM 0 H ILE A 30 -15.906 -5.941 0.471 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.491 -4.353 2.368 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.241 -3.945 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.419 -4.248 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.407 -5.653 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.582 -2.127 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -14.943 -1.766 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.382 -2.290 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.357 -5.844 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.127 -5.749 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.124 -4.322 -2.083 1.00 0.00 H new ATOM 968 N ALA A 31 -16.215 -2.816 3.206 1.00 0.00 N ATOM 969 CA ALA A 31 -17.144 -1.825 3.717 1.00 0.00 C ATOM 970 C ALA A 31 -16.461 -0.472 3.817 1.00 0.00 C ATOM 971 O ALA A 31 -16.890 0.405 4.567 1.00 0.00 O ATOM 972 CB ALA A 31 -17.688 -2.255 5.068 1.00 0.00 C ATOM 0 H ALA A 31 -15.513 -3.122 3.880 1.00 0.00 H new ATOM 0 HA ALA A 31 -17.982 -1.739 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.383 -1.501 5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.207 -3.208 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.864 -2.366 5.773 1.00 0.00 H new ATOM 978 N ASP A 32 -15.385 -0.316 3.057 1.00 0.00 N ATOM 979 CA ASP A 32 -14.624 0.930 3.041 1.00 0.00 C ATOM 980 C ASP A 32 -15.189 1.903 2.016 1.00 0.00 C ATOM 981 O ASP A 32 -14.613 2.967 1.783 1.00 0.00 O ATOM 982 CB ASP A 32 -13.157 0.657 2.718 1.00 0.00 C ATOM 983 CG ASP A 32 -12.249 0.839 3.914 1.00 0.00 C ATOM 984 OD1 ASP A 32 -11.838 1.985 4.189 1.00 0.00 O ATOM 985 OD2 ASP A 32 -11.928 -0.170 4.581 1.00 0.00 O ATOM 0 H ASP A 32 -15.017 -1.040 2.440 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.702 1.376 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.056 -0.361 2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.835 1.325 1.919 1.00 0.00 H new ATOM 990 N ARG A 33 -16.318 1.520 1.406 1.00 0.00 N ATOM 991 CA ARG A 33 -16.966 2.306 0.347 1.00 0.00 C ATOM 992 C ARG A 33 -16.160 2.224 -0.948 1.00 0.00 C ATOM 993 O ARG A 33 -16.639 1.708 -1.957 1.00 0.00 O ATOM 994 CB ARG A 33 -17.157 3.769 0.771 1.00 0.00 C ATOM 995 CG ARG A 33 -18.468 4.374 0.306 1.00 0.00 C ATOM 996 CD ARG A 33 -18.424 5.892 0.369 1.00 0.00 C ATOM 997 NE ARG A 33 -19.465 6.437 1.240 1.00 0.00 N ATOM 998 CZ ARG A 33 -19.225 7.065 2.393 1.00 0.00 C ATOM 999 NH1 ARG A 33 -17.980 7.249 2.816 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -20.232 7.520 3.121 1.00 0.00 N ATOM 0 H ARG A 33 -16.809 0.655 1.633 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.954 1.880 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.103 3.833 1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.333 4.363 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.677 4.055 -0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -19.283 4.005 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -17.446 6.211 0.730 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -18.542 6.300 -0.635 1.00 0.00 H new ATOM 0 HE ARG A 33 -20.436 6.330 0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.196 6.909 2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.807 7.730 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -21.192 7.391 2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -20.048 8.000 4.002 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.939 2.739 -0.913 1.00 0.00 N ATOM 1015 CA PHE A 34 -14.020 2.631 -2.037 1.00 0.00 C ATOM 1016 C PHE A 34 -13.016 1.523 -1.757 1.00 0.00 C ATOM 1017 O PHE A 34 -12.397 1.496 -0.693 1.00 0.00 O ATOM 1018 CB PHE A 34 -13.301 3.963 -2.276 1.00 0.00 C ATOM 1019 CG PHE A 34 -14.009 4.855 -3.259 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -15.349 5.173 -3.090 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -13.337 5.374 -4.356 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -16.002 5.988 -3.994 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -13.986 6.188 -5.264 1.00 0.00 C ATOM 1024 CZ PHE A 34 -15.319 6.496 -5.083 1.00 0.00 C ATOM 0 H PHE A 34 -14.559 3.240 -0.110 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.582 2.389 -2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.200 4.489 -1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.293 3.763 -2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.888 4.778 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.293 5.139 -4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.045 6.228 -3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.451 6.583 -6.115 1.00 0.00 H new ATOM 0 HZ PHE A 34 -15.828 7.133 -5.791 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.873 0.599 -2.695 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.982 -0.533 -2.499 1.00 0.00 C ATOM 1036 C LEU A 35 -10.629 -0.285 -3.153 1.00 0.00 C ATOM 1037 O LEU A 35 -10.500 0.554 -4.047 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.602 -1.836 -3.030 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.671 -1.682 -4.115 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -13.573 -2.823 -5.111 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -15.063 -1.633 -3.501 1.00 0.00 C ATOM 0 H LEU A 35 -13.358 0.610 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.831 -0.644 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.801 -2.461 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.041 -2.374 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.497 -0.741 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.338 -2.703 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.588 -2.816 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.723 -3.771 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.806 -1.523 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.251 -2.556 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.130 -0.785 -2.820 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.628 -1.023 -2.697 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.267 -0.857 -3.172 1.00 0.00 C ATOM 1055 C LEU A 36 -7.847 -2.039 -4.035 1.00 0.00 C ATOM 1056 O LEU A 36 -8.098 -3.195 -3.691 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.310 -0.727 -1.984 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.352 0.608 -1.228 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -7.553 1.777 -2.183 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -8.438 0.587 -0.163 1.00 0.00 C ATOM 0 H LEU A 36 -9.738 -1.750 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.225 0.050 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.528 -1.528 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.293 -0.886 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.390 0.744 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.578 2.709 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.731 1.809 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.494 1.652 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.452 1.542 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.406 0.418 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.235 -0.214 0.548 1.00 0.00 H new ATOM 1072 N TYR A 37 -7.220 -1.736 -5.158 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.701 -2.752 -6.061 1.00 0.00 C ATOM 1074 C TYR A 37 -5.202 -2.921 -5.865 1.00 0.00 C ATOM 1075 O TYR A 37 -4.419 -2.087 -6.316 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.970 -2.337 -7.503 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.695 -3.364 -8.332 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.816 -4.680 -7.912 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -8.255 -3.005 -9.546 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -8.480 -5.612 -8.684 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.918 -3.925 -10.323 1.00 0.00 C ATOM 1082 CZ TYR A 37 -9.031 -5.231 -9.893 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.697 -6.156 -10.667 1.00 0.00 O ATOM 0 H TYR A 37 -7.056 -0.779 -5.471 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.199 -3.697 -5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.554 -1.417 -7.498 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.019 -2.108 -7.984 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.385 -4.980 -6.968 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.170 -1.984 -9.889 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.569 -6.634 -8.345 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.349 -3.626 -11.267 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.024 -5.724 -11.484 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.805 -3.985 -5.188 1.00 0.00 N ATOM 1094 CA ALA A 38 -3.391 -4.264 -4.995 1.00 0.00 C ATOM 1095 C ALA A 38 -2.960 -5.445 -5.855 1.00 0.00 C ATOM 1096 O ALA A 38 -2.927 -5.344 -7.082 1.00 0.00 O ATOM 1097 CB ALA A 38 -3.093 -4.518 -3.526 1.00 0.00 C ATOM 0 H ALA A 38 -5.436 -4.666 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.817 -3.391 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.030 -4.725 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.362 -3.638 -2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.673 -5.374 -3.180 1.00 0.00 H new ATOM 1103 N MET A 39 -2.655 -6.574 -5.221 1.00 0.00 N ATOM 1104 CA MET A 39 -2.214 -7.760 -5.949 1.00 0.00 C ATOM 1105 C MET A 39 -3.392 -8.499 -6.584 1.00 0.00 C ATOM 1106 O MET A 39 -3.721 -9.615 -6.184 1.00 0.00 O ATOM 1107 CB MET A 39 -1.419 -8.711 -5.042 1.00 0.00 C ATOM 1108 CG MET A 39 -2.006 -8.911 -3.655 1.00 0.00 C ATOM 1109 SD MET A 39 -0.728 -9.084 -2.393 1.00 0.00 S ATOM 1110 CE MET A 39 -1.569 -10.113 -1.197 1.00 0.00 C ATOM 0 H MET A 39 -2.705 -6.693 -4.209 1.00 0.00 H new ATOM 0 HA MET A 39 -1.556 -7.416 -6.747 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.345 -9.681 -5.533 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.404 -8.328 -4.939 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.646 -8.064 -3.408 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.638 -9.799 -3.654 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.857 -10.805 -0.747 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.005 -9.485 -0.420 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.359 -10.677 -1.694 1.00 0.00 H new ATOM 1120 N ASP A 40 -4.043 -7.839 -7.546 1.00 0.00 N ATOM 1121 CA ASP A 40 -5.082 -8.456 -8.387 1.00 0.00 C ATOM 1122 C ASP A 40 -6.405 -8.653 -7.638 1.00 0.00 C ATOM 1123 O ASP A 40 -7.451 -8.830 -8.256 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.586 -9.797 -8.954 1.00 0.00 C ATOM 1125 CG ASP A 40 -5.527 -10.394 -9.981 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -5.516 -9.940 -11.144 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -6.272 -11.334 -9.633 1.00 0.00 O ATOM 0 H ASP A 40 -3.867 -6.859 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.278 -7.766 -9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.606 -9.652 -9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.455 -10.505 -8.135 1.00 0.00 H new ATOM 1132 N SER A 41 -6.368 -8.592 -6.319 1.00 0.00 N ATOM 1133 CA SER A 41 -7.552 -8.857 -5.519 1.00 0.00 C ATOM 1134 C SER A 41 -8.189 -7.557 -5.037 1.00 0.00 C ATOM 1135 O SER A 41 -7.616 -6.476 -5.197 1.00 0.00 O ATOM 1136 CB SER A 41 -7.177 -9.738 -4.331 1.00 0.00 C ATOM 1137 OG SER A 41 -5.805 -10.092 -4.384 1.00 0.00 O ATOM 0 H SER A 41 -5.534 -8.362 -5.779 1.00 0.00 H new ATOM 0 HA SER A 41 -8.283 -9.377 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.386 -9.211 -3.400 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.791 -10.639 -4.332 1.00 0.00 H new ATOM 0 HG SER A 41 -5.351 -9.765 -3.579 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.381 -7.670 -4.462 1.00 0.00 N ATOM 1144 CA TYR A 42 -10.078 -6.523 -3.898 1.00 0.00 C ATOM 1145 C TYR A 42 -9.725 -6.368 -2.424 1.00 0.00 C ATOM 1146 O TYR A 42 -9.781 -7.335 -1.663 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.591 -6.689 -4.036 1.00 0.00 C ATOM 1148 CG TYR A 42 -12.085 -6.880 -5.451 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.804 -5.951 -6.446 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.853 -7.987 -5.787 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -12.275 -6.122 -7.734 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -13.331 -8.160 -7.070 1.00 0.00 C ATOM 1153 CZ TYR A 42 -13.038 -7.228 -8.038 1.00 0.00 C ATOM 1154 OH TYR A 42 -13.527 -7.398 -9.312 1.00 0.00 O ATOM 0 H TYR A 42 -9.887 -8.551 -4.375 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.765 -5.634 -4.446 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.903 -7.546 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.078 -5.811 -3.612 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.208 -5.082 -6.209 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.080 -8.725 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -12.046 -5.393 -8.497 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.933 -9.023 -7.313 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.043 -8.230 -9.356 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.354 -5.160 -2.022 1.00 0.00 N ATOM 1165 CA TRP A 43 -8.987 -4.904 -0.638 1.00 0.00 C ATOM 1166 C TRP A 43 -9.684 -3.657 -0.104 1.00 0.00 C ATOM 1167 O TRP A 43 -10.286 -2.893 -0.854 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.467 -4.731 -0.495 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.653 -5.724 -1.268 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.273 -5.631 -2.573 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.108 -6.952 -0.778 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.534 -6.732 -2.928 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.415 -7.554 -1.842 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.140 -7.601 0.458 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.764 -8.773 -1.707 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.490 -8.809 0.593 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.808 -9.384 -0.484 1.00 0.00 C ATOM 0 H TRP A 43 -9.300 -4.345 -2.633 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.308 -5.768 -0.056 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.196 -3.727 -0.820 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.203 -4.806 0.560 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.517 -4.811 -3.232 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.138 -6.908 -3.851 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.665 -7.164 1.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.241 -9.223 -2.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.508 -9.319 1.545 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.306 -10.330 -0.347 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.595 -3.474 1.202 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.089 -2.274 1.877 1.00 0.00 C ATOM 1190 C HIS A 44 -9.029 -1.831 2.880 1.00 0.00 C ATOM 1191 O HIS A 44 -7.929 -2.384 2.886 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.448 -2.517 2.578 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.504 -3.764 3.410 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -11.091 -5.008 3.101 1.00 0.00 N flip ATOM 1195 CD2 HIS A 44 -11.956 -3.824 4.721 1.00 0.00 C flip ATOM 1196 CE1 HIS A 44 -11.261 -5.827 4.194 1.00 0.00 C flip ATOM 1197 NE2 HIS A 44 -11.783 -5.094 5.150 1.00 0.00 N flip ATOM 0 H HIS A 44 -9.175 -4.156 1.834 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.265 -1.492 1.138 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.673 -1.661 3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.230 -2.565 1.820 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.370 -3.007 5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.012 -6.876 4.254 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.023 -5.434 6.081 1.00 0.00 H new ATOM 1205 N SER A 45 -9.349 -0.884 3.752 1.00 0.00 N ATOM 1206 CA SER A 45 -8.357 -0.328 4.666 1.00 0.00 C ATOM 1207 C SER A 45 -7.944 -1.342 5.738 1.00 0.00 C ATOM 1208 O SER A 45 -6.905 -1.190 6.380 1.00 0.00 O ATOM 1209 CB SER A 45 -8.893 0.948 5.317 1.00 0.00 C ATOM 1210 OG SER A 45 -9.195 1.933 4.341 1.00 0.00 O ATOM 0 H SER A 45 -10.283 -0.485 3.847 1.00 0.00 H new ATOM 0 HA SER A 45 -7.468 -0.084 4.084 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.789 0.717 5.894 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.155 1.340 6.017 1.00 0.00 H new ATOM 0 HG SER A 45 -10.106 2.266 4.483 1.00 0.00 H new ATOM 1216 N ARG A 46 -8.754 -2.380 5.920 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.447 -3.410 6.905 1.00 0.00 C ATOM 1218 C ARG A 46 -7.840 -4.639 6.240 1.00 0.00 C ATOM 1219 O ARG A 46 -7.393 -5.562 6.917 1.00 0.00 O ATOM 1220 CB ARG A 46 -9.700 -3.800 7.684 1.00 0.00 C ATOM 1221 CG ARG A 46 -9.602 -3.502 9.172 1.00 0.00 C ATOM 1222 CD ARG A 46 -10.637 -4.285 9.965 1.00 0.00 C ATOM 1223 NE ARG A 46 -11.979 -3.732 9.797 1.00 0.00 N ATOM 1224 CZ ARG A 46 -12.664 -3.127 10.764 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -12.172 -3.057 11.995 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -13.856 -2.608 10.500 1.00 0.00 N ATOM 0 H ARG A 46 -9.621 -2.530 5.403 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.715 -2.999 7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.557 -3.268 7.270 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.888 -4.865 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.603 -3.751 9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.744 -2.434 9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.630 -5.327 9.644 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.369 -4.276 11.022 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.419 -3.815 8.880 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.263 -3.469 12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.703 -2.591 12.731 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.244 -2.674 9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.385 -2.143 11.238 1.00 0.00 H new ATOM 1240 N CYS A 47 -7.834 -4.651 4.915 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.216 -5.736 4.175 1.00 0.00 C ATOM 1242 C CYS A 47 -5.841 -5.312 3.678 1.00 0.00 C ATOM 1243 O CYS A 47 -4.835 -5.964 3.968 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.095 -6.165 3.002 1.00 0.00 C ATOM 1245 SG CYS A 47 -8.733 -7.864 3.143 1.00 0.00 S ATOM 0 H CYS A 47 -8.249 -3.923 4.334 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.104 -6.589 4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.936 -5.477 2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.521 -6.078 2.079 1.00 0.00 H new ATOM 0 HG CYS A 47 -9.365 -7.998 4.271 1.00 0.00 H new ATOM 1250 N LEU A 48 -5.812 -4.208 2.943 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.568 -3.650 2.441 1.00 0.00 C ATOM 1252 C LEU A 48 -3.828 -2.939 3.562 1.00 0.00 C ATOM 1253 O LEU A 48 -3.872 -1.713 3.678 1.00 0.00 O ATOM 1254 CB LEU A 48 -4.844 -2.678 1.291 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.444 -3.171 -0.103 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.996 -2.004 -0.962 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.344 -4.223 -0.025 1.00 0.00 C ATOM 0 H LEU A 48 -6.644 -3.679 2.681 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.946 -4.463 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.909 -2.446 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.316 -1.746 1.492 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.318 -3.635 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.714 -2.367 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.812 -1.288 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.139 -1.517 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.083 -4.552 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.465 -3.795 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.696 -5.076 0.556 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.187 -3.725 4.404 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.426 -3.204 5.523 1.00 0.00 C ATOM 1271 C LYS A 49 -1.195 -4.059 5.761 1.00 0.00 C ATOM 1272 O LYS A 49 -1.125 -5.202 5.305 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.288 -3.171 6.792 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.257 -4.340 6.920 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.657 -5.478 7.735 1.00 0.00 C ATOM 1276 CE LYS A 49 -4.653 -6.612 7.945 1.00 0.00 C ATOM 1277 NZ LYS A 49 -4.596 -7.624 6.855 1.00 0.00 N ATOM 0 H LYS A 49 -3.179 -4.742 4.332 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.115 -2.187 5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.632 -3.160 7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.855 -2.240 6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.178 -4.000 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.523 -4.703 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.772 -5.861 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.330 -5.098 8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.451 -7.098 8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.661 -6.201 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.378 -8.300 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.680 -7.148 5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.690 -8.132 6.900 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.228 -3.502 6.470 1.00 0.00 N ATOM 1292 CA CYS A 50 0.967 -4.238 6.827 1.00 0.00 C ATOM 1293 C CYS A 50 0.607 -5.372 7.777 1.00 0.00 C ATOM 1294 O CYS A 50 -0.117 -5.169 8.749 1.00 0.00 O ATOM 1295 CB CYS A 50 1.984 -3.298 7.478 1.00 0.00 C ATOM 1296 SG CYS A 50 3.592 -4.063 7.868 1.00 0.00 S ATOM 0 H CYS A 50 -0.250 -2.540 6.809 1.00 0.00 H new ATOM 0 HA CYS A 50 1.412 -4.662 5.927 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.152 -2.451 6.813 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.554 -2.901 8.397 1.00 0.00 H new ATOM 0 HG CYS A 50 4.546 -3.211 7.636 1.00 0.00 H new ATOM 1301 N SER A 51 1.111 -6.562 7.494 1.00 0.00 N ATOM 1302 CA SER A 51 0.876 -7.712 8.355 1.00 0.00 C ATOM 1303 C SER A 51 1.632 -7.556 9.675 1.00 0.00 C ATOM 1304 O SER A 51 1.429 -8.321 10.622 1.00 0.00 O ATOM 1305 CB SER A 51 1.302 -8.993 7.636 1.00 0.00 C ATOM 1306 OG SER A 51 0.776 -9.031 6.317 1.00 0.00 O ATOM 0 H SER A 51 1.686 -6.758 6.675 1.00 0.00 H new ATOM 0 HA SER A 51 -0.189 -7.774 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.390 -9.050 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.955 -9.862 8.196 1.00 0.00 H new ATOM 0 HG SER A 51 1.277 -8.411 5.747 1.00 0.00 H new ATOM 1312 N SER A 52 2.492 -6.549 9.728 1.00 0.00 N ATOM 1313 CA SER A 52 3.281 -6.271 10.912 1.00 0.00 C ATOM 1314 C SER A 52 2.785 -5.007 11.619 1.00 0.00 C ATOM 1315 O SER A 52 2.587 -5.004 12.835 1.00 0.00 O ATOM 1316 CB SER A 52 4.749 -6.125 10.515 1.00 0.00 C ATOM 1317 OG SER A 52 4.924 -6.418 9.137 1.00 0.00 O ATOM 0 H SER A 52 2.660 -5.906 8.954 1.00 0.00 H new ATOM 0 HA SER A 52 3.176 -7.101 11.611 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.089 -5.110 10.723 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.363 -6.796 11.116 1.00 0.00 H new ATOM 0 HG SER A 52 4.759 -5.610 8.607 1.00 0.00 H new ATOM 1323 N CYS A 53 2.567 -3.942 10.852 1.00 0.00 N ATOM 1324 CA CYS A 53 2.119 -2.671 11.415 1.00 0.00 C ATOM 1325 C CYS A 53 0.619 -2.674 11.677 1.00 0.00 C ATOM 1326 O CYS A 53 0.153 -2.090 12.659 1.00 0.00 O ATOM 1327 CB CYS A 53 2.463 -1.518 10.470 1.00 0.00 C ATOM 1328 SG CYS A 53 4.242 -1.173 10.326 1.00 0.00 S ATOM 0 H CYS A 53 2.693 -3.934 9.840 1.00 0.00 H new ATOM 0 HA CYS A 53 2.637 -2.536 12.364 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.068 -1.745 9.480 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.957 -0.617 10.816 1.00 0.00 H new ATOM 0 HG CYS A 53 4.853 -2.226 9.868 1.00 0.00 H new ATOM 1333 N GLN A 54 -0.122 -3.341 10.797 1.00 0.00 N ATOM 1334 CA GLN A 54 -1.584 -3.338 10.831 1.00 0.00 C ATOM 1335 C GLN A 54 -2.111 -1.925 10.601 1.00 0.00 C ATOM 1336 O GLN A 54 -3.204 -1.569 11.046 1.00 0.00 O ATOM 1337 CB GLN A 54 -2.112 -3.906 12.154 1.00 0.00 C ATOM 1338 CG GLN A 54 -1.688 -5.345 12.411 1.00 0.00 C ATOM 1339 CD GLN A 54 -2.656 -6.365 11.841 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -3.879 -5.943 11.548 1.00 0.00 O flip ATOM 1341 NE2 GLN A 54 -2.307 -7.535 11.669 1.00 0.00 N flip ATOM 0 H GLN A 54 0.272 -3.899 10.040 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.945 -3.983 10.029 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.761 -3.280 12.974 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.201 -3.851 12.155 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.701 -5.509 11.978 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.595 -5.503 13.485 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -1.358 -7.824 11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.967 -8.214 11.290 1.00 0.00 H new ATOM 1350 N ALA A 55 -1.312 -1.128 9.902 1.00 0.00 N ATOM 1351 CA ALA A 55 -1.677 0.239 9.574 1.00 0.00 C ATOM 1352 C ALA A 55 -2.268 0.296 8.172 1.00 0.00 C ATOM 1353 O ALA A 55 -1.971 -0.560 7.341 1.00 0.00 O ATOM 1354 CB ALA A 55 -0.463 1.152 9.685 1.00 0.00 C ATOM 0 H ALA A 55 -0.398 -1.412 9.549 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.429 0.586 10.283 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.752 2.173 9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.077 1.122 10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.310 0.815 8.994 1.00 0.00 H new ATOM 1360 N GLN A 56 -3.094 1.302 7.917 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.793 1.426 6.642 1.00 0.00 C ATOM 1362 C GLN A 56 -2.812 1.656 5.494 1.00 0.00 C ATOM 1363 O GLN A 56 -2.383 2.783 5.240 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.809 2.566 6.713 1.00 0.00 C ATOM 1365 CG GLN A 56 -6.186 2.127 7.190 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.175 1.554 8.598 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -6.124 2.292 9.579 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -6.227 0.237 8.707 1.00 0.00 N ATOM 0 H GLN A 56 -3.298 2.049 8.580 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.319 0.491 6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.430 3.337 7.384 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.903 3.019 5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.864 2.980 7.156 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.580 1.379 6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.269 -0.343 7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.226 -0.199 9.629 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.483 0.577 4.794 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.494 0.611 3.724 1.00 0.00 C ATOM 1379 C LEU A 57 -2.076 1.208 2.446 1.00 0.00 C ATOM 1380 O LEU A 57 -1.343 1.653 1.566 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.978 -0.802 3.446 1.00 0.00 C ATOM 1382 CG LEU A 57 0.512 -1.016 3.697 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.907 -0.538 5.085 1.00 0.00 C ATOM 1384 CD2 LEU A 57 0.875 -2.478 3.507 1.00 0.00 C ATOM 0 H LEU A 57 -2.893 -0.344 4.952 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.669 1.245 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.538 -1.503 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.194 -1.051 2.407 1.00 0.00 H new ATOM 0 HG LEU A 57 1.068 -0.424 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.974 -0.703 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.687 0.525 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.344 -1.094 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.941 -2.615 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.306 -3.088 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.640 -2.782 2.487 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.395 1.206 2.344 1.00 0.00 N ATOM 1397 CA GLY A 58 -4.042 1.790 1.188 1.00 0.00 C ATOM 1398 C GLY A 58 -4.167 3.296 1.303 1.00 0.00 C ATOM 1399 O GLY A 58 -4.381 3.989 0.307 1.00 0.00 O ATOM 0 H GLY A 58 -4.029 0.811 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.474 1.542 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.033 1.353 1.069 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.018 3.807 2.518 1.00 0.00 N ATOM 1404 CA ASP A 59 -4.200 5.232 2.778 1.00 0.00 C ATOM 1405 C ASP A 59 -2.862 5.957 2.883 1.00 0.00 C ATOM 1406 O ASP A 59 -2.689 6.853 3.714 1.00 0.00 O ATOM 1407 CB ASP A 59 -5.012 5.441 4.059 1.00 0.00 C ATOM 1408 CG ASP A 59 -6.001 6.586 3.944 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -5.568 7.740 3.743 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -7.222 6.341 4.063 1.00 0.00 O ATOM 0 H ASP A 59 -3.771 3.257 3.341 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.746 5.654 1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.550 4.524 4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.332 5.636 4.888 1.00 0.00 H new ATOM 1415 N ILE A 60 -1.910 5.566 2.048 1.00 0.00 N ATOM 1416 CA ILE A 60 -0.611 6.228 2.009 1.00 0.00 C ATOM 1417 C ILE A 60 -0.121 6.372 0.574 1.00 0.00 C ATOM 1418 O ILE A 60 -0.348 5.494 -0.261 1.00 0.00 O ATOM 1419 CB ILE A 60 0.465 5.487 2.836 1.00 0.00 C ATOM 1420 CG1 ILE A 60 0.047 4.044 3.123 1.00 0.00 C ATOM 1421 CG2 ILE A 60 0.733 6.231 4.136 1.00 0.00 C ATOM 1422 CD1 ILE A 60 1.210 3.124 3.423 1.00 0.00 C ATOM 0 H ILE A 60 -2.011 4.795 1.388 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.760 7.211 2.455 1.00 0.00 H new ATOM 0 HB ILE A 60 1.383 5.458 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.640 4.035 3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.500 3.656 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.492 5.699 4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.086 7.238 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.187 6.289 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.838 2.118 3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.887 3.102 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.745 3.488 4.300 1.00 0.00 H new ATOM 1434 N GLY A 61 0.535 7.493 0.295 1.00 0.00 N ATOM 1435 CA GLY A 61 1.062 7.758 -1.030 1.00 0.00 C ATOM 1436 C GLY A 61 2.108 6.751 -1.457 1.00 0.00 C ATOM 1437 O GLY A 61 2.167 6.371 -2.628 1.00 0.00 O ATOM 0 H GLY A 61 0.713 8.233 0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.243 7.752 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.497 8.757 -1.050 1.00 0.00 H new ATOM 1441 N THR A 62 2.939 6.322 -0.519 1.00 0.00 N ATOM 1442 CA THR A 62 3.921 5.288 -0.795 1.00 0.00 C ATOM 1443 C THR A 62 3.255 3.918 -0.766 1.00 0.00 C ATOM 1444 O THR A 62 2.722 3.499 0.264 1.00 0.00 O ATOM 1445 CB THR A 62 5.069 5.320 0.225 1.00 0.00 C ATOM 1446 OG1 THR A 62 4.974 6.508 1.021 1.00 0.00 O ATOM 1447 CG2 THR A 62 6.418 5.279 -0.476 1.00 0.00 C ATOM 0 H THR A 62 2.952 6.674 0.438 1.00 0.00 H new ATOM 0 HA THR A 62 4.336 5.477 -1.785 1.00 0.00 H new ATOM 0 HB THR A 62 4.987 4.442 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.706 6.525 1.672 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.215 5.303 0.267 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.496 4.363 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.511 6.141 -1.136 1.00 0.00 H new ATOM 1455 N SER A 63 3.288 3.228 -1.894 1.00 0.00 N ATOM 1456 CA SER A 63 2.609 1.951 -2.029 1.00 0.00 C ATOM 1457 C SER A 63 3.338 0.849 -1.264 1.00 0.00 C ATOM 1458 O SER A 63 4.508 0.991 -0.907 1.00 0.00 O ATOM 1459 CB SER A 63 2.489 1.591 -3.509 1.00 0.00 C ATOM 1460 OG SER A 63 2.289 2.758 -4.294 1.00 0.00 O ATOM 0 H SER A 63 3.781 3.533 -2.733 1.00 0.00 H new ATOM 0 HA SER A 63 1.612 2.041 -1.598 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.392 1.076 -3.838 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.657 0.902 -3.655 1.00 0.00 H new ATOM 0 HG SER A 63 1.525 2.622 -4.893 1.00 0.00 H new ATOM 1466 N SER A 64 2.630 -0.237 -1.003 1.00 0.00 N ATOM 1467 CA SER A 64 3.197 -1.371 -0.298 1.00 0.00 C ATOM 1468 C SER A 64 4.064 -2.208 -1.239 1.00 0.00 C ATOM 1469 O SER A 64 4.052 -2.004 -2.457 1.00 0.00 O ATOM 1470 CB SER A 64 2.064 -2.212 0.282 1.00 0.00 C ATOM 1471 OG SER A 64 0.809 -1.606 0.012 1.00 0.00 O ATOM 0 H SER A 64 1.653 -0.356 -1.272 1.00 0.00 H new ATOM 0 HA SER A 64 3.833 -1.015 0.512 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.091 -3.214 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.198 -2.321 1.358 1.00 0.00 H new ATOM 0 HG SER A 64 0.092 -2.157 0.388 1.00 0.00 H new ATOM 1477 N TYR A 65 4.816 -3.140 -0.674 1.00 0.00 N ATOM 1478 CA TYR A 65 5.681 -4.002 -1.462 1.00 0.00 C ATOM 1479 C TYR A 65 5.449 -5.458 -1.091 1.00 0.00 C ATOM 1480 O TYR A 65 4.966 -5.760 0.001 1.00 0.00 O ATOM 1481 CB TYR A 65 7.152 -3.641 -1.240 1.00 0.00 C ATOM 1482 CG TYR A 65 7.519 -2.246 -1.696 1.00 0.00 C ATOM 1483 CD1 TYR A 65 7.933 -2.006 -3.000 1.00 0.00 C ATOM 1484 CD2 TYR A 65 7.450 -1.171 -0.822 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.265 -0.732 -3.417 1.00 0.00 C ATOM 1486 CE2 TYR A 65 7.778 0.106 -1.232 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.185 0.320 -2.528 1.00 0.00 C ATOM 1488 OH TYR A 65 8.510 1.592 -2.939 1.00 0.00 O ATOM 0 H TYR A 65 4.844 -3.318 0.330 1.00 0.00 H new ATOM 0 HA TYR A 65 5.440 -3.856 -2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.383 -3.738 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.776 -4.361 -1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.996 -2.828 -3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.134 -1.336 0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.586 -0.560 -4.434 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.715 0.932 -0.539 1.00 0.00 H new ATOM 0 HH TYR A 65 8.399 2.216 -2.191 1.00 0.00 H new ATOM 1498 N THR A 66 5.782 -6.353 -2.002 1.00 0.00 N ATOM 1499 CA THR A 66 5.640 -7.773 -1.749 1.00 0.00 C ATOM 1500 C THR A 66 6.784 -8.552 -2.381 1.00 0.00 C ATOM 1501 O THR A 66 7.560 -8.009 -3.163 1.00 0.00 O ATOM 1502 CB THR A 66 4.285 -8.311 -2.260 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.964 -9.539 -1.588 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.301 -8.543 -3.766 1.00 0.00 C ATOM 0 H THR A 66 6.153 -6.121 -2.924 1.00 0.00 H new ATOM 0 HA THR A 66 5.672 -7.913 -0.669 1.00 0.00 H new ATOM 0 HB THR A 66 3.527 -7.558 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.610 -9.341 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.330 -8.921 -4.086 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.511 -7.603 -4.277 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.074 -9.271 -4.014 1.00 0.00 H new ATOM 1512 N LYS A 67 6.881 -9.824 -2.025 1.00 0.00 N ATOM 1513 CA LYS A 67 7.933 -10.693 -2.525 1.00 0.00 C ATOM 1514 C LYS A 67 7.587 -12.136 -2.206 1.00 0.00 C ATOM 1515 O LYS A 67 7.424 -12.962 -3.099 1.00 0.00 O ATOM 1516 CB LYS A 67 9.277 -10.325 -1.889 1.00 0.00 C ATOM 1517 CG LYS A 67 10.487 -10.862 -2.641 1.00 0.00 C ATOM 1518 CD LYS A 67 11.767 -10.168 -2.203 1.00 0.00 C ATOM 1519 CE LYS A 67 12.984 -11.051 -2.428 1.00 0.00 C ATOM 1520 NZ LYS A 67 13.923 -10.470 -3.427 1.00 0.00 N ATOM 0 H LYS A 67 6.234 -10.281 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 67 8.016 -10.568 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.353 -9.239 -1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.300 -10.704 -0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.576 -11.935 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.343 -10.721 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.885 -9.236 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.697 -9.905 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.506 -11.195 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.659 -12.035 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.605 -11.196 -3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.388 -10.137 -4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.433 -9.671 -3.000 1.00 0.00 H new ATOM 1534 N SER A 68 7.451 -12.419 -0.921 1.00 0.00 N ATOM 1535 CA SER A 68 7.118 -13.755 -0.455 1.00 0.00 C ATOM 1536 C SER A 68 5.604 -13.955 -0.366 1.00 0.00 C ATOM 1537 O SER A 68 5.128 -14.847 0.336 1.00 0.00 O ATOM 1538 CB SER A 68 7.774 -13.975 0.907 1.00 0.00 C ATOM 1539 OG SER A 68 8.855 -13.073 1.083 1.00 0.00 O ATOM 0 H SER A 68 7.568 -11.733 -0.175 1.00 0.00 H new ATOM 0 HA SER A 68 7.494 -14.487 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.039 -13.832 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.132 -15.002 0.985 1.00 0.00 H new ATOM 0 HG SER A 68 9.065 -12.996 2.037 1.00 0.00 H new ATOM 1545 N GLY A 69 4.854 -13.126 -1.087 1.00 0.00 N ATOM 1546 CA GLY A 69 3.405 -13.236 -1.092 1.00 0.00 C ATOM 1547 C GLY A 69 2.768 -12.654 0.154 1.00 0.00 C ATOM 1548 O GLY A 69 1.653 -13.028 0.525 1.00 0.00 O ATOM 0 H GLY A 69 5.226 -12.377 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.009 -12.725 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.125 -14.286 -1.181 1.00 0.00 H new ATOM 1552 N MET A 70 3.472 -11.735 0.795 1.00 0.00 N ATOM 1553 CA MET A 70 2.990 -11.123 2.023 1.00 0.00 C ATOM 1554 C MET A 70 2.756 -9.634 1.819 1.00 0.00 C ATOM 1555 O MET A 70 3.411 -9.008 0.985 1.00 0.00 O ATOM 1556 CB MET A 70 3.994 -11.334 3.157 1.00 0.00 C ATOM 1557 CG MET A 70 3.731 -12.577 3.993 1.00 0.00 C ATOM 1558 SD MET A 70 4.740 -12.628 5.489 1.00 0.00 S ATOM 1559 CE MET A 70 6.389 -12.516 4.795 1.00 0.00 C ATOM 0 H MET A 70 4.382 -11.395 0.484 1.00 0.00 H new ATOM 0 HA MET A 70 2.046 -11.598 2.291 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.996 -11.399 2.734 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.979 -10.460 3.809 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.677 -12.610 4.268 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.932 -13.464 3.393 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.125 -12.730 5.570 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.493 -13.239 3.986 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.553 -11.511 4.407 1.00 0.00 H new ATOM 1569 N ILE A 71 1.824 -9.075 2.575 1.00 0.00 N ATOM 1570 CA ILE A 71 1.545 -7.647 2.513 1.00 0.00 C ATOM 1571 C ILE A 71 2.276 -6.916 3.633 1.00 0.00 C ATOM 1572 O ILE A 71 1.933 -7.054 4.811 1.00 0.00 O ATOM 1573 CB ILE A 71 0.034 -7.346 2.616 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.777 -8.393 1.853 1.00 0.00 C ATOM 1575 CG2 ILE A 71 -0.268 -5.951 2.088 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -2.109 -8.707 2.495 1.00 0.00 C ATOM 0 H ILE A 71 1.246 -9.589 3.240 1.00 0.00 H new ATOM 0 HA ILE A 71 1.898 -7.296 1.543 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.253 -7.388 3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.947 -8.040 0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.193 -9.310 1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.337 -5.755 2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.281 -5.214 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.036 -5.884 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.631 -9.457 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.946 -9.090 3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.712 -7.800 2.545 1.00 0.00 H new ATOM 1588 N LEU A 72 3.295 -6.156 3.263 1.00 0.00 N ATOM 1589 CA LEU A 72 4.077 -5.397 4.227 1.00 0.00 C ATOM 1590 C LEU A 72 4.234 -3.963 3.752 1.00 0.00 C ATOM 1591 O LEU A 72 4.131 -3.683 2.553 1.00 0.00 O ATOM 1592 CB LEU A 72 5.456 -6.037 4.432 1.00 0.00 C ATOM 1593 CG LEU A 72 5.445 -7.551 4.664 1.00 0.00 C ATOM 1594 CD1 LEU A 72 6.758 -8.172 4.211 1.00 0.00 C ATOM 1595 CD2 LEU A 72 5.185 -7.869 6.128 1.00 0.00 C ATOM 0 H LEU A 72 3.601 -6.048 2.296 1.00 0.00 H new ATOM 0 HA LEU A 72 3.550 -5.403 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.071 -5.824 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.938 -5.558 5.285 1.00 0.00 H new ATOM 0 HG LEU A 72 4.637 -7.980 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.730 -9.248 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.904 -7.979 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.581 -7.735 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.181 -8.950 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.969 -7.425 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.218 -7.461 6.423 1.00 0.00 H new ATOM 1607 N CYS A 73 4.469 -3.058 4.690 1.00 0.00 N ATOM 1608 CA CYS A 73 4.657 -1.657 4.358 1.00 0.00 C ATOM 1609 C CYS A 73 6.008 -1.443 3.675 1.00 0.00 C ATOM 1610 O CYS A 73 6.844 -2.353 3.634 1.00 0.00 O ATOM 1611 CB CYS A 73 4.553 -0.797 5.621 1.00 0.00 C ATOM 1612 SG CYS A 73 5.879 -1.080 6.839 1.00 0.00 S ATOM 0 H CYS A 73 4.534 -3.270 5.686 1.00 0.00 H new ATOM 0 HA CYS A 73 3.872 -1.356 3.664 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.561 0.254 5.331 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.592 -0.989 6.098 1.00 0.00 H new ATOM 0 HG CYS A 73 5.370 -1.117 8.034 1.00 0.00 H new ATOM 1617 N ARG A 74 6.221 -0.235 3.154 1.00 0.00 N ATOM 1618 CA ARG A 74 7.472 0.099 2.478 1.00 0.00 C ATOM 1619 C ARG A 74 8.651 0.000 3.442 1.00 0.00 C ATOM 1620 O ARG A 74 9.784 -0.237 3.030 1.00 0.00 O ATOM 1621 CB ARG A 74 7.404 1.506 1.862 1.00 0.00 C ATOM 1622 CG ARG A 74 7.518 2.640 2.870 1.00 0.00 C ATOM 1623 CD ARG A 74 8.708 3.537 2.567 1.00 0.00 C ATOM 1624 NE ARG A 74 9.710 3.493 3.630 1.00 0.00 N ATOM 1625 CZ ARG A 74 11.003 3.240 3.431 1.00 0.00 C ATOM 1626 NH1 ARG A 74 11.462 3.021 2.204 1.00 0.00 N ATOM 1627 NH2 ARG A 74 11.831 3.196 4.468 1.00 0.00 N ATOM 0 H ARG A 74 5.544 0.527 3.188 1.00 0.00 H new ATOM 0 HA ARG A 74 7.621 -0.622 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.203 1.607 1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.462 1.608 1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.603 3.232 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.618 2.227 3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.164 3.229 1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.365 4.563 2.434 1.00 0.00 H new ATOM 0 HE ARG A 74 9.400 3.667 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.824 3.046 1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.453 2.828 2.057 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.476 3.355 5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.822 3.003 4.322 1.00 0.00 H new ATOM 1641 N ASN A 75 8.369 0.164 4.727 1.00 0.00 N ATOM 1642 CA ASN A 75 9.402 0.109 5.750 1.00 0.00 C ATOM 1643 C ASN A 75 9.706 -1.331 6.121 1.00 0.00 C ATOM 1644 O ASN A 75 10.865 -1.743 6.168 1.00 0.00 O ATOM 1645 CB ASN A 75 8.965 0.883 6.996 1.00 0.00 C ATOM 1646 CG ASN A 75 8.995 2.381 6.789 1.00 0.00 C ATOM 1647 OD1 ASN A 75 10.054 2.972 6.590 1.00 0.00 O ATOM 1648 ND2 ASN A 75 7.829 3.006 6.831 1.00 0.00 N ATOM 0 H ASN A 75 7.430 0.337 5.086 1.00 0.00 H new ATOM 0 HA ASN A 75 10.304 0.569 5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.956 0.578 7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.617 0.622 7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.787 4.016 6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.973 2.478 6.999 1.00 0.00 H new ATOM 1655 N ASP A 76 8.652 -2.099 6.362 1.00 0.00 N ATOM 1656 CA ASP A 76 8.792 -3.472 6.829 1.00 0.00 C ATOM 1657 C ASP A 76 9.445 -4.348 5.784 1.00 0.00 C ATOM 1658 O ASP A 76 10.312 -5.155 6.109 1.00 0.00 O ATOM 1659 CB ASP A 76 7.436 -4.063 7.214 1.00 0.00 C ATOM 1660 CG ASP A 76 7.282 -4.198 8.712 1.00 0.00 C ATOM 1661 OD1 ASP A 76 7.865 -5.148 9.295 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.602 -3.347 9.314 1.00 0.00 O ATOM 0 H ASP A 76 7.687 -1.793 6.241 1.00 0.00 H new ATOM 0 HA ASP A 76 9.432 -3.444 7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.640 -3.429 6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.322 -5.042 6.748 1.00 0.00 H new ATOM 1667 N TYR A 77 9.042 -4.186 4.529 1.00 0.00 N ATOM 1668 CA TYR A 77 9.593 -5.003 3.460 1.00 0.00 C ATOM 1669 C TYR A 77 11.098 -4.799 3.344 1.00 0.00 C ATOM 1670 O TYR A 77 11.852 -5.766 3.273 1.00 0.00 O ATOM 1671 CB TYR A 77 8.935 -4.704 2.110 1.00 0.00 C ATOM 1672 CG TYR A 77 9.719 -5.283 0.950 1.00 0.00 C ATOM 1673 CD1 TYR A 77 9.954 -6.652 0.864 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.261 -4.463 -0.031 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.696 -7.183 -0.171 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.011 -4.990 -1.064 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.224 -6.349 -1.129 1.00 0.00 C ATOM 1678 OH TYR A 77 11.985 -6.872 -2.147 1.00 0.00 O ATOM 0 H TYR A 77 8.344 -3.504 4.231 1.00 0.00 H new ATOM 0 HA TYR A 77 9.384 -6.041 3.719 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.924 -5.112 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.845 -3.625 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.549 -7.309 1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.093 -3.397 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.861 -8.249 -0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.429 -4.339 -1.818 1.00 0.00 H new ATOM 0 HH TYR A 77 12.934 -6.806 -1.913 1.00 0.00 H new ATOM 1688 N ILE A 78 11.529 -3.544 3.333 1.00 0.00 N ATOM 1689 CA ILE A 78 12.943 -3.228 3.169 1.00 0.00 C ATOM 1690 C ILE A 78 13.731 -3.650 4.405 1.00 0.00 C ATOM 1691 O ILE A 78 14.856 -4.144 4.304 1.00 0.00 O ATOM 1692 CB ILE A 78 13.158 -1.722 2.881 1.00 0.00 C ATOM 1693 CG1 ILE A 78 12.538 -1.360 1.527 1.00 0.00 C ATOM 1694 CG2 ILE A 78 14.642 -1.365 2.904 1.00 0.00 C ATOM 1695 CD1 ILE A 78 12.689 0.100 1.152 1.00 0.00 C ATOM 0 H ILE A 78 10.922 -2.730 3.435 1.00 0.00 H new ATOM 0 HA ILE A 78 13.310 -3.788 2.309 1.00 0.00 H new ATOM 0 HB ILE A 78 12.666 -1.145 3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.998 -1.973 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.478 -1.612 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.764 -0.301 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.056 -1.595 3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.167 -1.944 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.225 0.276 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.203 0.721 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 78 13.748 0.355 1.100 1.00 0.00 H new ATOM 1707 N ARG A 79 13.125 -3.469 5.567 1.00 0.00 N ATOM 1708 CA ARG A 79 13.731 -3.885 6.821 1.00 0.00 C ATOM 1709 C ARG A 79 13.893 -5.403 6.861 1.00 0.00 C ATOM 1710 O ARG A 79 14.925 -5.915 7.295 1.00 0.00 O ATOM 1711 CB ARG A 79 12.871 -3.418 7.993 1.00 0.00 C ATOM 1712 CG ARG A 79 13.665 -2.871 9.169 1.00 0.00 C ATOM 1713 CD ARG A 79 12.816 -2.817 10.430 1.00 0.00 C ATOM 1714 NE ARG A 79 12.056 -4.049 10.621 1.00 0.00 N ATOM 1715 CZ ARG A 79 10.731 -4.136 10.512 1.00 0.00 C ATOM 1716 NH1 ARG A 79 9.997 -3.058 10.251 1.00 0.00 N ATOM 1717 NH2 ARG A 79 10.129 -5.302 10.675 1.00 0.00 N ATOM 0 H ARG A 79 12.208 -3.034 5.668 1.00 0.00 H new ATOM 0 HA ARG A 79 14.719 -3.431 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.185 -2.647 7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.261 -4.253 8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.540 -3.498 9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.031 -1.872 8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.458 -2.648 11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.130 -1.972 10.372 1.00 0.00 H new ATOM 0 HE ARG A 79 12.573 -4.897 10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.448 -2.151 10.132 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.983 -3.139 10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.679 -6.135 10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.115 -5.368 10.592 1.00 0.00 H new ATOM 1731 N LEU A 80 12.871 -6.112 6.394 1.00 0.00 N ATOM 1732 CA LEU A 80 12.885 -7.570 6.389 1.00 0.00 C ATOM 1733 C LEU A 80 13.759 -8.111 5.260 1.00 0.00 C ATOM 1734 O LEU A 80 14.769 -8.770 5.506 1.00 0.00 O ATOM 1735 CB LEU A 80 11.457 -8.106 6.243 1.00 0.00 C ATOM 1736 CG LEU A 80 11.061 -9.202 7.239 1.00 0.00 C ATOM 1737 CD1 LEU A 80 9.573 -9.492 7.142 1.00 0.00 C ATOM 1738 CD2 LEU A 80 11.859 -10.473 6.997 1.00 0.00 C ATOM 0 H LEU A 80 12.020 -5.699 6.013 1.00 0.00 H new ATOM 0 HA LEU A 80 13.306 -7.907 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.762 -7.273 6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 80 11.335 -8.496 5.232 1.00 0.00 H new ATOM 0 HG LEU A 80 11.287 -8.843 8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.307 -10.272 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.010 -8.586 7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.332 -9.826 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.558 -11.234 7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.670 -10.835 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.922 -10.263 7.114 1.00 0.00 H new ATOM 1750 N PHE A 81 13.374 -7.823 4.026 1.00 0.00 N ATOM 1751 CA PHE A 81 14.083 -8.338 2.862 1.00 0.00 C ATOM 1752 C PHE A 81 14.870 -7.232 2.169 1.00 0.00 C ATOM 1753 O PHE A 81 16.100 -7.269 2.116 1.00 0.00 O ATOM 1754 CB PHE A 81 13.100 -8.962 1.867 1.00 0.00 C ATOM 1755 CG PHE A 81 12.186 -9.990 2.469 1.00 0.00 C ATOM 1756 CD1 PHE A 81 12.640 -11.272 2.727 1.00 0.00 C ATOM 1757 CD2 PHE A 81 10.867 -9.678 2.764 1.00 0.00 C ATOM 1758 CE1 PHE A 81 11.799 -12.223 3.272 1.00 0.00 C ATOM 1759 CE2 PHE A 81 10.021 -10.626 3.309 1.00 0.00 C ATOM 1760 CZ PHE A 81 10.489 -11.900 3.564 1.00 0.00 C ATOM 0 H PHE A 81 12.572 -7.234 3.803 1.00 0.00 H new ATOM 0 HA PHE A 81 14.779 -9.102 3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.496 -8.170 1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 81 13.664 -9.424 1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 81 13.663 -11.532 2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.497 -8.683 2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 81 12.166 -13.219 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.996 -10.371 3.535 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.831 -12.642 3.991 1.00 0.00 H new ATOM 1770 N GLY A 82 14.154 -6.248 1.644 1.00 0.00 N ATOM 1771 CA GLY A 82 14.789 -5.175 0.906 1.00 0.00 C ATOM 1772 C GLY A 82 15.134 -5.591 -0.507 1.00 0.00 C ATOM 1773 O GLY A 82 16.114 -5.056 -1.063 1.00 0.00 O ATOM 1774 OXT GLY A 82 14.437 -6.469 -1.053 1.00 0.00 O ATOM 0 H GLY A 82 13.139 -6.174 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.125 -4.311 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.696 -4.864 1.425 1.00 0.00 H new