USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=28 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 50 CYS SG : rot 162:sc= 3.63 USER MOD Set 1.2: A 52 SER OG : rot 92:sc= 1.4 USER MOD Set 1.3: A 53 CYS SG : rot -49:sc= -0.73 USER MOD Set 1.4: A 73 CYS SG : rot -135:sc= -3.23! USER MOD Set 2.1: A 39 MET CE :methyl 175:sc= -2.38! (180deg=-2.46) USER MOD Set 2.2: A 66 THR OG1 : rot 33:sc= 1.24 USER MOD Set 3.1: A 37 TYR OH : rot 93:sc= 1.32 USER MOD Set 3.2: A 42 TYR OH : rot 180:sc= 0.506 USER MOD Set 4.1: A 23 CYS SG : rot 73:sc= 1.72 USER MOD Set 4.2: A 26 CYS SG : rot -68:sc= -2.27! USER MOD Set 4.3: A 44 HIS :FLIP no HD1:sc= -3.44! C(o=-9!,f=-5.2!) USER MOD Set 4.4: A 47 CYS SG : rot 53:sc= -1.17! 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 106:sc= 0.44 USER MOD Single : A 45 SER OG : rot 109:sc= 0.98 USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= 2.06 (180deg=0.716) USER MOD Single : A 51 SER OG : rot 71:sc= 0.968 USER MOD Single : A 54 GLN : amide:sc=0.000188 X(o=0.00019,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.45! X(o=-0.45!,f=-0.0029) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 63 SER OG : rot 179:sc= 1.08 USER MOD Single : A 64 SER OG : rot 180:sc= -0.16 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 109:sc= 0.0229 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 77 TYR OH : rot -117:sc= 1.26 USER MOD Single : A 664 SER OG : rot 180:sc= 0.155 USER MOD Single : A 665 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.37) USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ -152:sc= 1.23 (180deg=1.04) USER MOD Single : A 668 MET CE :methyl 172:sc= -3.77! (180deg=-4.22!) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot -173:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 14.102 -2.581 -5.568 1.00 0.00 N ATOM 327 CA LEU A 663 12.768 -3.174 -5.390 1.00 0.00 C ATOM 328 C LEU A 663 11.728 -2.503 -6.292 1.00 0.00 C ATOM 329 O LEU A 663 10.555 -2.393 -5.934 1.00 0.00 O ATOM 330 CB LEU A 663 12.313 -3.109 -3.919 1.00 0.00 C ATOM 331 CG LEU A 663 13.281 -2.439 -2.934 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.514 -1.619 -1.913 1.00 0.00 C ATOM 333 CD2 LEU A 663 14.148 -3.475 -2.235 1.00 0.00 C ATOM 0 HA LEU A 663 12.848 -4.222 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 663 11.362 -2.577 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 663 12.124 -4.126 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 663 13.933 -1.774 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.215 -1.151 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 663 11.938 -0.848 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.837 -2.269 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.825 -2.975 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 663 13.513 -4.169 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.728 -4.024 -2.977 1.00 0.00 H new ATOM 345 N SER A 664 12.163 -2.086 -7.475 1.00 0.00 N ATOM 346 CA SER A 664 11.317 -1.328 -8.388 1.00 0.00 C ATOM 347 C SER A 664 10.138 -2.159 -8.882 1.00 0.00 C ATOM 348 O SER A 664 9.024 -1.656 -9.013 1.00 0.00 O ATOM 349 CB SER A 664 12.156 -0.844 -9.569 1.00 0.00 C ATOM 350 OG SER A 664 13.505 -1.271 -9.435 1.00 0.00 O ATOM 0 H SER A 664 13.104 -2.262 -7.826 1.00 0.00 H new ATOM 0 HA SER A 664 10.909 -0.472 -7.850 1.00 0.00 H new ATOM 0 HB2 SER A 664 11.738 -1.228 -10.500 1.00 0.00 H new ATOM 0 HB3 SER A 664 12.118 0.244 -9.627 1.00 0.00 H new ATOM 0 HG SER A 664 14.026 -0.953 -10.201 1.00 0.00 H new ATOM 356 N GLN A 665 10.385 -3.428 -9.160 1.00 0.00 N ATOM 357 CA GLN A 665 9.337 -4.318 -9.642 1.00 0.00 C ATOM 358 C GLN A 665 8.577 -4.966 -8.486 1.00 0.00 C ATOM 359 O GLN A 665 7.537 -5.591 -8.690 1.00 0.00 O ATOM 360 CB GLN A 665 9.932 -5.387 -10.558 1.00 0.00 C ATOM 361 CG GLN A 665 10.247 -4.871 -11.956 1.00 0.00 C ATOM 362 CD GLN A 665 9.029 -4.292 -12.649 1.00 0.00 C ATOM 363 OE1 GLN A 665 8.026 -4.976 -12.834 1.00 0.00 O ATOM 364 NE2 GLN A 665 9.107 -3.029 -13.035 1.00 0.00 N ATOM 0 H GLN A 665 11.300 -3.867 -9.061 1.00 0.00 H new ATOM 0 HA GLN A 665 8.625 -3.720 -10.211 1.00 0.00 H new ATOM 0 HB2 GLN A 665 10.845 -5.776 -10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 665 9.234 -6.221 -10.634 1.00 0.00 H new ATOM 0 HG2 GLN A 665 11.022 -4.107 -11.892 1.00 0.00 H new ATOM 0 HG3 GLN A 665 10.651 -5.685 -12.558 1.00 0.00 H new ATOM 0 HE21 GLN A 665 9.959 -2.495 -12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 665 8.316 -2.590 -13.505 1.00 0.00 H new ATOM 373 N TYR A 666 9.084 -4.795 -7.268 1.00 0.00 N ATOM 374 CA TYR A 666 8.514 -5.472 -6.105 1.00 0.00 C ATOM 375 C TYR A 666 7.371 -4.675 -5.486 1.00 0.00 C ATOM 376 O TYR A 666 6.642 -5.186 -4.635 1.00 0.00 O ATOM 377 CB TYR A 666 9.588 -5.724 -5.048 1.00 0.00 C ATOM 378 CG TYR A 666 10.515 -6.870 -5.383 1.00 0.00 C ATOM 379 CD1 TYR A 666 10.017 -8.103 -5.783 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.890 -6.716 -5.293 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.866 -9.149 -6.089 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.744 -7.756 -5.597 1.00 0.00 C ATOM 383 CZ TYR A 666 12.228 -8.971 -5.991 1.00 0.00 C ATOM 384 OH TYR A 666 13.078 -10.011 -6.296 1.00 0.00 O ATOM 0 H TYR A 666 9.884 -4.197 -7.060 1.00 0.00 H new ATOM 0 HA TYR A 666 8.116 -6.424 -6.455 1.00 0.00 H new ATOM 0 HB2 TYR A 666 10.178 -4.817 -4.920 1.00 0.00 H new ATOM 0 HB3 TYR A 666 9.104 -5.927 -4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.949 -8.247 -5.856 1.00 0.00 H new ATOM 0 HD2 TYR A 666 12.299 -5.767 -4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 666 10.464 -10.101 -6.403 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.813 -7.618 -5.526 1.00 0.00 H new ATOM 0 HH TYR A 666 14.006 -9.721 -6.177 1.00 0.00 H new ATOM 394 N LYS A 667 7.215 -3.426 -5.899 1.00 0.00 N ATOM 395 CA LYS A 667 6.152 -2.593 -5.363 1.00 0.00 C ATOM 396 C LYS A 667 4.844 -2.857 -6.093 1.00 0.00 C ATOM 397 O LYS A 667 4.760 -2.718 -7.315 1.00 0.00 O ATOM 398 CB LYS A 667 6.516 -1.105 -5.450 1.00 0.00 C ATOM 399 CG LYS A 667 7.236 -0.707 -6.729 1.00 0.00 C ATOM 400 CD LYS A 667 6.420 0.282 -7.546 1.00 0.00 C ATOM 401 CE LYS A 667 6.049 -0.298 -8.901 1.00 0.00 C ATOM 402 NZ LYS A 667 5.483 0.727 -9.814 1.00 0.00 N ATOM 0 H LYS A 667 7.805 -2.972 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 667 6.026 -2.852 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 667 5.604 -0.515 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 667 7.145 -0.847 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 667 8.202 -0.266 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 667 7.436 -1.596 -7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 667 5.514 0.548 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 667 6.990 1.201 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 667 6.933 -0.741 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 667 5.324 -1.101 -8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 4.834 0.272 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 4.964 1.437 -9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 6.254 1.191 -10.335 1.00 0.00 H new ATOM 416 N MET A 668 3.832 -3.247 -5.338 1.00 0.00 N ATOM 417 CA MET A 668 2.507 -3.453 -5.889 1.00 0.00 C ATOM 418 C MET A 668 1.765 -2.128 -5.904 1.00 0.00 C ATOM 419 O MET A 668 1.120 -1.755 -4.924 1.00 0.00 O ATOM 420 CB MET A 668 1.729 -4.486 -5.068 1.00 0.00 C ATOM 421 CG MET A 668 1.523 -5.805 -5.789 1.00 0.00 C ATOM 422 SD MET A 668 1.471 -7.208 -4.657 1.00 0.00 S ATOM 423 CE MET A 668 1.605 -8.571 -5.809 1.00 0.00 C ATOM 0 H MET A 668 3.905 -3.428 -4.337 1.00 0.00 H new ATOM 0 HA MET A 668 2.600 -3.835 -6.906 1.00 0.00 H new ATOM 0 HB2 MET A 668 2.261 -4.671 -4.135 1.00 0.00 H new ATOM 0 HB3 MET A 668 0.757 -4.070 -4.804 1.00 0.00 H new ATOM 0 HG2 MET A 668 0.593 -5.765 -6.356 1.00 0.00 H new ATOM 0 HG3 MET A 668 2.328 -5.952 -6.509 1.00 0.00 H new ATOM 0 HE1 MET A 668 1.730 -9.503 -5.257 1.00 0.00 H new ATOM 0 HE2 MET A 668 0.700 -8.626 -6.414 1.00 0.00 H new ATOM 0 HE3 MET A 668 2.466 -8.415 -6.458 1.00 0.00 H new ATOM 433 N ASP A 669 1.891 -1.407 -7.009 1.00 0.00 N ATOM 434 CA ASP A 669 1.289 -0.089 -7.134 1.00 0.00 C ATOM 435 C ASP A 669 -0.224 -0.185 -7.026 1.00 0.00 C ATOM 436 O ASP A 669 -0.870 -0.884 -7.805 1.00 0.00 O ATOM 437 CB ASP A 669 1.692 0.575 -8.449 1.00 0.00 C ATOM 438 CG ASP A 669 2.397 1.895 -8.218 1.00 0.00 C ATOM 439 OD1 ASP A 669 1.903 2.704 -7.403 1.00 0.00 O ATOM 440 OD2 ASP A 669 3.456 2.128 -8.839 1.00 0.00 O ATOM 0 H ASP A 669 2.406 -1.715 -7.834 1.00 0.00 H new ATOM 0 HA ASP A 669 1.658 0.531 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 669 2.346 -0.094 -9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 669 0.805 0.739 -9.061 1.00 0.00 H new ATOM 445 N VAL A 670 -0.784 0.547 -6.078 1.00 0.00 N ATOM 446 CA VAL A 670 -2.181 0.384 -5.727 1.00 0.00 C ATOM 447 C VAL A 670 -3.098 1.157 -6.664 1.00 0.00 C ATOM 448 O VAL A 670 -3.059 2.387 -6.727 1.00 0.00 O ATOM 449 CB VAL A 670 -2.444 0.829 -4.275 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.925 0.734 -3.942 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.622 -0.006 -3.306 1.00 0.00 C ATOM 0 H VAL A 670 -0.291 1.259 -5.539 1.00 0.00 H new ATOM 0 HA VAL A 670 -2.404 -0.678 -5.826 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.140 1.871 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -4.088 1.053 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.491 1.378 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -4.259 -0.297 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.820 0.321 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.894 -1.056 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.562 0.118 -3.528 1.00 0.00 H new ATOM 461 N THR A 671 -3.910 0.419 -7.397 1.00 0.00 N ATOM 462 CA THR A 671 -4.933 1.005 -8.240 1.00 0.00 C ATOM 463 C THR A 671 -6.214 1.194 -7.437 1.00 0.00 C ATOM 464 O THR A 671 -6.677 0.268 -6.774 1.00 0.00 O ATOM 465 CB THR A 671 -5.212 0.108 -9.464 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.048 -0.681 -9.761 1.00 0.00 O ATOM 467 CG2 THR A 671 -5.585 0.950 -10.676 1.00 0.00 C ATOM 0 H THR A 671 -3.879 -0.600 -7.425 1.00 0.00 H new ATOM 0 HA THR A 671 -4.578 1.973 -8.594 1.00 0.00 H new ATOM 0 HB THR A 671 -6.049 -0.549 -9.229 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.229 -1.251 -10.538 1.00 0.00 H new ATOM 0 HG21 THR A 671 -5.777 0.297 -11.527 1.00 0.00 H new ATOM 0 HG22 THR A 671 -6.481 1.530 -10.454 1.00 0.00 H new ATOM 0 HG23 THR A 671 -4.764 1.626 -10.916 1.00 0.00 H new ATOM 475 N VAL A 672 -6.769 2.392 -7.456 1.00 0.00 N ATOM 476 CA VAL A 672 -7.981 2.658 -6.700 1.00 0.00 C ATOM 477 C VAL A 672 -9.203 2.603 -7.615 1.00 0.00 C ATOM 478 O VAL A 672 -9.209 3.177 -8.708 1.00 0.00 O ATOM 479 CB VAL A 672 -7.907 4.012 -5.944 1.00 0.00 C ATOM 480 CG1 VAL A 672 -7.955 5.199 -6.897 1.00 0.00 C ATOM 481 CG2 VAL A 672 -9.018 4.104 -4.907 1.00 0.00 C ATOM 0 H VAL A 672 -6.406 3.188 -7.980 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.079 1.878 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 672 -6.946 4.050 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -7.901 6.126 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -7.112 5.147 -7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.887 5.175 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -8.951 5.059 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -9.986 4.028 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -8.913 3.291 -4.188 1.00 0.00 H new ATOM 491 N ILE A 673 -10.219 1.875 -7.181 1.00 0.00 N ATOM 492 CA ILE A 673 -11.422 1.708 -7.974 1.00 0.00 C ATOM 493 C ILE A 673 -12.430 2.803 -7.658 1.00 0.00 C ATOM 494 O ILE A 673 -12.821 2.986 -6.505 1.00 0.00 O ATOM 495 CB ILE A 673 -12.066 0.322 -7.749 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.204 -0.771 -8.391 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.480 0.291 -8.314 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.218 -1.408 -7.434 1.00 0.00 C ATOM 0 H ILE A 673 -10.233 1.391 -6.283 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.131 1.781 -9.022 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.124 0.134 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -11.856 -1.545 -8.796 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.657 -0.344 -9.231 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -13.917 -0.693 -8.146 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.087 1.048 -7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.449 0.496 -9.384 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -9.643 -2.172 -7.958 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -9.541 -0.646 -7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -10.759 -1.866 -6.606 1.00 0.00 H new ATOM 510 N ASP A 674 -12.822 3.538 -8.689 1.00 0.00 N ATOM 511 CA ASP A 674 -13.810 4.599 -8.548 1.00 0.00 C ATOM 512 C ASP A 674 -15.195 4.017 -8.291 1.00 0.00 C ATOM 513 O ASP A 674 -15.776 3.357 -9.156 1.00 0.00 O ATOM 514 CB ASP A 674 -13.830 5.477 -9.807 1.00 0.00 C ATOM 515 CG ASP A 674 -15.118 6.271 -9.962 1.00 0.00 C ATOM 516 OD1 ASP A 674 -15.369 7.179 -9.141 1.00 0.00 O ATOM 517 OD2 ASP A 674 -15.870 6.009 -10.925 1.00 0.00 O ATOM 0 H ASP A 674 -12.468 3.418 -9.638 1.00 0.00 H new ATOM 0 HA ASP A 674 -13.532 5.214 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -12.987 6.167 -9.775 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -13.692 4.846 -10.685 1.00 0.00 H new ATOM 522 N THR A 675 -15.698 4.226 -7.092 1.00 0.00 N ATOM 523 CA THR A 675 -17.054 3.843 -6.763 1.00 0.00 C ATOM 524 C THR A 675 -18.009 4.978 -7.108 1.00 0.00 C ATOM 525 O THR A 675 -18.199 5.909 -6.323 1.00 0.00 O ATOM 526 CB THR A 675 -17.180 3.480 -5.275 1.00 0.00 C ATOM 527 OG1 THR A 675 -15.874 3.262 -4.718 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.028 2.229 -5.097 1.00 0.00 C ATOM 0 H THR A 675 -15.184 4.661 -6.326 1.00 0.00 H new ATOM 0 HA THR A 675 -17.314 2.961 -7.349 1.00 0.00 H new ATOM 0 HB THR A 675 -17.666 4.306 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 675 -15.961 2.926 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 675 -18.105 1.989 -4.036 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.025 2.404 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 675 -17.563 1.396 -5.625 1.00 0.00 H new ATOM 806 N TRP A 20 -21.112 -7.480 -4.052 1.00 0.00 N ATOM 807 CA TRP A 20 -20.219 -6.425 -4.534 1.00 0.00 C ATOM 808 C TRP A 20 -18.806 -6.966 -4.755 1.00 0.00 C ATOM 809 O TRP A 20 -18.596 -7.888 -5.549 1.00 0.00 O ATOM 810 CB TRP A 20 -20.174 -5.231 -3.564 1.00 0.00 C ATOM 811 CG TRP A 20 -21.467 -4.946 -2.855 1.00 0.00 C ATOM 812 CD1 TRP A 20 -22.694 -4.714 -3.415 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.651 -4.845 -1.438 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.625 -4.487 -2.428 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.009 -4.560 -1.211 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.797 -4.976 -0.341 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.531 -4.397 0.067 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.316 -4.813 0.929 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.672 -4.527 1.124 1.00 0.00 C ATOM 0 HA TRP A 20 -20.620 -6.076 -5.486 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.400 -5.415 -2.819 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -19.876 -4.341 -4.119 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -22.901 -4.710 -4.475 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.615 -4.295 -2.580 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.750 -5.201 -0.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.577 -4.176 0.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.665 -4.908 1.785 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.048 -4.406 2.129 1.00 0.00 H new ATOM 830 N LYS A 21 -17.844 -6.396 -4.042 1.00 0.00 N ATOM 831 CA LYS A 21 -16.458 -6.811 -4.151 1.00 0.00 C ATOM 832 C LYS A 21 -16.022 -7.526 -2.880 1.00 0.00 C ATOM 833 O LYS A 21 -16.347 -7.097 -1.770 1.00 0.00 O ATOM 834 CB LYS A 21 -15.558 -5.603 -4.414 1.00 0.00 C ATOM 835 CG LYS A 21 -15.141 -5.454 -5.869 1.00 0.00 C ATOM 836 CD LYS A 21 -16.333 -5.169 -6.773 1.00 0.00 C ATOM 837 CE LYS A 21 -16.044 -4.040 -7.747 1.00 0.00 C ATOM 838 NZ LYS A 21 -17.280 -3.555 -8.417 1.00 0.00 N ATOM 0 H LYS A 21 -18.004 -5.639 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.367 -7.500 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.079 -4.698 -4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.664 -5.686 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.416 -4.645 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.644 -6.366 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.592 -6.071 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.198 -4.910 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.571 -3.214 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.334 -4.383 -8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.040 -2.785 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.718 -4.336 -8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.948 -3.204 -7.701 1.00 0.00 H new ATOM 852 N ARG A 22 -15.287 -8.611 -3.052 1.00 0.00 N ATOM 853 CA ARG A 22 -14.841 -9.435 -1.938 1.00 0.00 C ATOM 854 C ARG A 22 -13.681 -8.778 -1.196 1.00 0.00 C ATOM 855 O ARG A 22 -12.771 -8.228 -1.816 1.00 0.00 O ATOM 856 CB ARG A 22 -14.418 -10.814 -2.455 1.00 0.00 C ATOM 857 CG ARG A 22 -14.190 -11.835 -1.358 1.00 0.00 C ATOM 858 CD ARG A 22 -15.462 -12.596 -1.036 1.00 0.00 C ATOM 859 NE ARG A 22 -15.608 -12.831 0.397 1.00 0.00 N ATOM 860 CZ ARG A 22 -15.909 -14.013 0.930 1.00 0.00 C ATOM 861 NH1 ARG A 22 -16.139 -15.058 0.144 1.00 0.00 N ATOM 862 NH2 ARG A 22 -15.985 -14.149 2.248 1.00 0.00 N ATOM 0 H ARG A 22 -14.982 -8.947 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.670 -9.545 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.185 -11.188 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.502 -10.708 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.414 -12.535 -1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.828 -11.333 -0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.323 -12.036 -1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.457 -13.551 -1.562 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.471 -12.042 1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.085 -14.956 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.370 -15.963 0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.813 -13.347 2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.216 -15.055 2.655 1.00 0.00 H new ATOM 876 N CYS A 23 -13.722 -8.840 0.128 1.00 0.00 N ATOM 877 CA CYS A 23 -12.647 -8.327 0.949 1.00 0.00 C ATOM 878 C CYS A 23 -11.737 -9.496 1.335 1.00 0.00 C ATOM 879 O CYS A 23 -12.213 -10.550 1.760 1.00 0.00 O ATOM 880 CB CYS A 23 -13.240 -7.579 2.165 1.00 0.00 C ATOM 881 SG CYS A 23 -12.776 -8.209 3.809 1.00 0.00 S ATOM 0 H CYS A 23 -14.496 -9.245 0.654 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.038 -7.601 0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.939 -6.533 2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.327 -7.603 2.084 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.540 -7.895 4.061 1.00 0.00 H new ATOM 886 N ALA A 24 -10.436 -9.319 1.141 1.00 0.00 N ATOM 887 CA ALA A 24 -9.495 -10.432 1.222 1.00 0.00 C ATOM 888 C ALA A 24 -8.860 -10.577 2.601 1.00 0.00 C ATOM 889 O ALA A 24 -8.854 -11.672 3.169 1.00 0.00 O ATOM 890 CB ALA A 24 -8.414 -10.270 0.165 1.00 0.00 C ATOM 0 H ALA A 24 -10.008 -8.418 0.927 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.064 -11.344 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.714 -11.103 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.872 -10.256 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.880 -9.334 0.331 1.00 0.00 H new ATOM 896 N GLY A 25 -8.335 -9.479 3.134 1.00 0.00 N ATOM 897 CA GLY A 25 -7.584 -9.528 4.378 1.00 0.00 C ATOM 898 C GLY A 25 -8.397 -10.074 5.533 1.00 0.00 C ATOM 899 O GLY A 25 -8.012 -11.066 6.155 1.00 0.00 O ATOM 0 H GLY A 25 -8.416 -8.549 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.698 -10.148 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.236 -8.525 4.627 1.00 0.00 H new ATOM 903 N CYS A 26 -9.510 -9.420 5.827 1.00 0.00 N ATOM 904 CA CYS A 26 -10.426 -9.900 6.847 1.00 0.00 C ATOM 905 C CYS A 26 -11.155 -11.147 6.350 1.00 0.00 C ATOM 906 O CYS A 26 -11.232 -12.159 7.050 1.00 0.00 O ATOM 907 CB CYS A 26 -11.424 -8.801 7.218 1.00 0.00 C ATOM 908 SG CYS A 26 -10.843 -7.110 6.858 1.00 0.00 S ATOM 0 H CYS A 26 -9.800 -8.554 5.372 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.859 -10.164 7.740 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.356 -8.975 6.680 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.651 -8.876 8.281 1.00 0.00 H new ATOM 0 HG CYS A 26 -9.856 -6.813 7.650 1.00 0.00 H new ATOM 913 N GLY A 27 -11.684 -11.068 5.136 1.00 0.00 N ATOM 914 CA GLY A 27 -12.315 -12.218 4.528 1.00 0.00 C ATOM 915 C GLY A 27 -13.807 -12.046 4.355 1.00 0.00 C ATOM 916 O GLY A 27 -14.554 -13.022 4.371 1.00 0.00 O ATOM 0 H GLY A 27 -11.686 -10.225 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.860 -12.404 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.124 -13.098 5.142 1.00 0.00 H new ATOM 920 N GLY A 28 -14.242 -10.813 4.175 1.00 0.00 N ATOM 921 CA GLY A 28 -15.653 -10.543 4.018 1.00 0.00 C ATOM 922 C GLY A 28 -15.954 -9.900 2.683 1.00 0.00 C ATOM 923 O GLY A 28 -15.573 -10.424 1.634 1.00 0.00 O ATOM 0 H GLY A 28 -13.641 -9.990 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.214 -11.473 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.990 -9.888 4.822 1.00 0.00 H new ATOM 927 N LYS A 29 -16.635 -8.767 2.717 1.00 0.00 N ATOM 928 CA LYS A 29 -16.955 -8.021 1.509 1.00 0.00 C ATOM 929 C LYS A 29 -16.798 -6.534 1.776 1.00 0.00 C ATOM 930 O LYS A 29 -17.144 -6.056 2.856 1.00 0.00 O ATOM 931 CB LYS A 29 -18.377 -8.330 1.033 1.00 0.00 C ATOM 932 CG LYS A 29 -19.239 -9.025 2.075 1.00 0.00 C ATOM 933 CD LYS A 29 -20.431 -8.175 2.467 1.00 0.00 C ATOM 934 CE LYS A 29 -21.504 -8.211 1.395 1.00 0.00 C ATOM 935 NZ LYS A 29 -22.447 -9.338 1.596 1.00 0.00 N ATOM 0 H LYS A 29 -16.980 -8.339 3.576 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.267 -8.322 0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.861 -7.399 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.323 -8.957 0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.586 -9.981 1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.639 -9.242 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -20.843 -8.534 3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -20.110 -7.146 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -22.055 -7.271 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.035 -8.300 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.165 -9.328 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -21.925 -10.237 1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -22.913 -9.240 2.520 1.00 0.00 H new ATOM 949 N ILE A 30 -16.276 -5.805 0.805 1.00 0.00 N ATOM 950 CA ILE A 30 -15.978 -4.397 1.005 1.00 0.00 C ATOM 951 C ILE A 30 -17.250 -3.558 1.036 1.00 0.00 C ATOM 952 O ILE A 30 -17.900 -3.344 0.011 1.00 0.00 O ATOM 953 CB ILE A 30 -15.037 -3.853 -0.090 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.717 -4.618 -0.088 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.785 -2.362 0.104 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.183 -4.894 -1.472 1.00 0.00 C ATOM 0 H ILE A 30 -16.051 -6.161 -0.124 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.477 -4.320 1.970 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.522 -3.996 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.976 -4.048 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.854 -5.564 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.119 -2.001 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.731 -1.823 0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.324 -2.195 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.243 -5.441 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -13.906 -5.490 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.014 -3.951 -1.991 1.00 0.00 H new ATOM 968 N ALA A 31 -17.587 -3.076 2.223 1.00 0.00 N ATOM 969 CA ALA A 31 -18.703 -2.165 2.393 1.00 0.00 C ATOM 970 C ALA A 31 -18.193 -0.826 2.894 1.00 0.00 C ATOM 971 O ALA A 31 -18.940 -0.026 3.460 1.00 0.00 O ATOM 972 CB ALA A 31 -19.727 -2.746 3.352 1.00 0.00 C ATOM 0 H ALA A 31 -17.097 -3.305 3.088 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.194 -2.019 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -20.556 -2.048 3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.100 -3.691 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.261 -2.917 4.322 1.00 0.00 H new ATOM 978 N ASP A 32 -16.896 -0.604 2.694 1.00 0.00 N ATOM 979 CA ASP A 32 -16.258 0.659 3.055 1.00 0.00 C ATOM 980 C ASP A 32 -16.731 1.766 2.116 1.00 0.00 C ATOM 981 O ASP A 32 -17.665 2.504 2.434 1.00 0.00 O ATOM 982 CB ASP A 32 -14.730 0.512 2.990 1.00 0.00 C ATOM 983 CG ASP A 32 -13.995 1.676 3.628 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.039 2.789 3.071 1.00 0.00 O ATOM 985 OD2 ASP A 32 -13.358 1.472 4.684 1.00 0.00 O ATOM 0 H ASP A 32 -16.262 -1.288 2.281 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.537 0.924 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.438 -0.412 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.423 0.423 1.948 1.00 0.00 H new ATOM 990 N ARG A 33 -16.084 1.866 0.961 1.00 0.00 N ATOM 991 CA ARG A 33 -16.486 2.792 -0.091 1.00 0.00 C ATOM 992 C ARG A 33 -15.600 2.593 -1.309 1.00 0.00 C ATOM 993 O ARG A 33 -16.036 2.054 -2.324 1.00 0.00 O ATOM 994 CB ARG A 33 -16.409 4.251 0.373 1.00 0.00 C ATOM 995 CG ARG A 33 -17.191 5.204 -0.517 1.00 0.00 C ATOM 996 CD ARG A 33 -17.078 6.641 -0.038 1.00 0.00 C ATOM 997 NE ARG A 33 -18.345 7.360 -0.156 1.00 0.00 N ATOM 998 CZ ARG A 33 -18.465 8.595 -0.648 1.00 0.00 C ATOM 999 NH1 ARG A 33 -17.388 9.278 -1.020 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -19.666 9.153 -0.741 1.00 0.00 N ATOM 0 H ARG A 33 -15.264 1.306 0.727 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.525 2.580 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.789 4.322 1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.365 4.563 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.822 5.131 -1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.240 4.908 -0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -16.751 6.652 1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.313 7.157 -0.618 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.193 6.887 0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.462 8.859 -0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.487 10.221 -1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -20.492 8.638 -0.437 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.762 10.097 -1.116 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.352 3.015 -1.192 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.396 2.870 -2.274 1.00 0.00 C ATOM 1016 C PHE A 34 -12.526 1.645 -2.041 1.00 0.00 C ATOM 1017 O PHE A 34 -12.026 1.429 -0.935 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.534 4.128 -2.392 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.025 5.082 -3.441 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -14.287 5.648 -3.343 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -12.234 5.404 -4.528 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -14.750 6.515 -4.311 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -12.693 6.268 -5.503 1.00 0.00 C ATOM 1024 CZ PHE A 34 -13.949 6.825 -5.393 1.00 0.00 C ATOM 0 H PHE A 34 -13.978 3.462 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.939 2.737 -3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.511 4.637 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.509 3.838 -2.624 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.915 5.407 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.247 4.975 -4.616 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.735 6.950 -4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.068 6.507 -6.351 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.307 7.504 -6.153 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.371 0.832 -3.073 1.00 0.00 N ATOM 1035 CA LEU A 35 -11.577 -0.379 -2.964 1.00 0.00 C ATOM 1036 C LEU A 35 -10.195 -0.164 -3.565 1.00 0.00 C ATOM 1037 O LEU A 35 -10.037 0.560 -4.553 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.272 -1.569 -3.638 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.430 -1.225 -4.578 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -13.489 -2.229 -5.717 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -14.753 -1.198 -3.824 1.00 0.00 C ATOM 0 H LEU A 35 -12.783 0.988 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.470 -0.611 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.526 -2.128 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.647 -2.234 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.257 -0.231 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.316 -1.977 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.553 -2.201 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.640 -3.230 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.560 -0.951 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.940 -2.177 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.707 -0.447 -3.036 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.207 -0.797 -2.957 1.00 0.00 N ATOM 1054 CA LEU A 36 -7.822 -0.662 -3.368 1.00 0.00 C ATOM 1055 C LEU A 36 -7.328 -1.956 -4.007 1.00 0.00 C ATOM 1056 O LEU A 36 -7.806 -3.044 -3.678 1.00 0.00 O ATOM 1057 CB LEU A 36 -6.950 -0.308 -2.160 1.00 0.00 C ATOM 1058 CG LEU A 36 -6.959 1.171 -1.753 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -8.150 1.479 -0.851 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -5.659 1.530 -1.051 1.00 0.00 C ATOM 0 H LEU A 36 -9.344 -1.421 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.753 0.139 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.279 -0.904 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.923 -0.602 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.051 1.774 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.135 2.534 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.076 1.256 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.092 0.868 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.677 2.582 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.546 0.915 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.821 1.350 -1.724 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.387 -1.823 -4.924 1.00 0.00 N ATOM 1073 CA TYR A 37 -5.810 -2.960 -5.622 1.00 0.00 C ATOM 1074 C TYR A 37 -4.361 -3.160 -5.211 1.00 0.00 C ATOM 1075 O TYR A 37 -3.518 -2.305 -5.469 1.00 0.00 O ATOM 1076 CB TYR A 37 -5.874 -2.723 -7.129 1.00 0.00 C ATOM 1077 CG TYR A 37 -6.720 -3.718 -7.878 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -6.952 -4.988 -7.372 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -7.281 -3.382 -9.098 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.721 -5.898 -8.064 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.051 -4.281 -9.797 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.270 -5.540 -9.281 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.038 -6.448 -9.983 1.00 0.00 O ATOM 0 H TYR A 37 -6.000 -0.923 -5.207 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.380 -3.852 -5.361 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.265 -1.722 -7.311 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.862 -2.748 -7.532 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.523 -5.268 -6.421 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.111 -2.397 -9.508 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.894 -6.884 -7.658 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.483 -4.002 -10.747 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.983 -6.321 -9.757 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.075 -4.280 -4.571 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.709 -4.595 -4.177 1.00 0.00 C ATOM 1095 C ALA A 38 -2.193 -5.801 -4.948 1.00 0.00 C ATOM 1096 O ALA A 38 -1.786 -5.680 -6.101 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.627 -4.839 -2.678 1.00 0.00 C ATOM 0 H ALA A 38 -4.765 -4.985 -4.313 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.077 -3.741 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.598 -5.073 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.950 -3.945 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.273 -5.675 -2.410 1.00 0.00 H new ATOM 1103 N MET A 39 -2.221 -6.963 -4.301 1.00 0.00 N ATOM 1104 CA MET A 39 -1.753 -8.200 -4.911 1.00 0.00 C ATOM 1105 C MET A 39 -2.524 -8.501 -6.188 1.00 0.00 C ATOM 1106 O MET A 39 -1.957 -8.523 -7.280 1.00 0.00 O ATOM 1107 CB MET A 39 -1.908 -9.358 -3.924 1.00 0.00 C ATOM 1108 CG MET A 39 -0.928 -10.495 -4.154 1.00 0.00 C ATOM 1109 SD MET A 39 -0.133 -11.050 -2.631 1.00 0.00 S ATOM 1110 CE MET A 39 0.650 -9.537 -2.077 1.00 0.00 C ATOM 0 H MET A 39 -2.566 -7.072 -3.347 1.00 0.00 H new ATOM 0 HA MET A 39 -0.700 -8.080 -5.166 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.779 -8.979 -2.910 1.00 0.00 H new ATOM 0 HB3 MET A 39 -2.924 -9.747 -3.992 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.452 -11.334 -4.612 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.164 -10.173 -4.861 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.106 -9.700 -1.101 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.418 -9.242 -2.792 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.097 -8.747 -2.001 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.821 -8.715 -6.034 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.706 -9.023 -7.150 1.00 0.00 C ATOM 1122 C ASP A 40 -6.151 -9.012 -6.674 1.00 0.00 C ATOM 1123 O ASP A 40 -7.085 -9.145 -7.467 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.365 -10.390 -7.756 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.977 -11.547 -6.988 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.616 -11.745 -5.809 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.814 -12.272 -7.566 1.00 0.00 O ATOM 0 H ASP A 40 -4.292 -8.680 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.571 -8.264 -7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.714 -10.421 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.282 -10.510 -7.782 1.00 0.00 H new ATOM 1132 N SER A 41 -6.316 -8.835 -5.370 1.00 0.00 N ATOM 1133 CA SER A 41 -7.620 -8.853 -4.740 1.00 0.00 C ATOM 1134 C SER A 41 -8.085 -7.432 -4.453 1.00 0.00 C ATOM 1135 O SER A 41 -7.318 -6.480 -4.614 1.00 0.00 O ATOM 1136 CB SER A 41 -7.532 -9.651 -3.441 1.00 0.00 C ATOM 1137 OG SER A 41 -6.184 -10.010 -3.168 1.00 0.00 O ATOM 0 H SER A 41 -5.545 -8.675 -4.722 1.00 0.00 H new ATOM 0 HA SER A 41 -8.342 -9.321 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.931 -9.060 -2.617 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.146 -10.549 -3.516 1.00 0.00 H new ATOM 0 HG SER A 41 -5.839 -9.455 -2.438 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.333 -7.294 -4.040 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.879 -5.998 -3.679 1.00 0.00 C ATOM 1145 C TYR A 42 -9.791 -5.794 -2.172 1.00 0.00 C ATOM 1146 O TYR A 42 -10.138 -6.682 -1.394 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.329 -5.888 -4.147 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.485 -5.970 -5.645 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.069 -4.928 -6.459 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.053 -7.085 -6.244 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.210 -4.996 -7.828 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.198 -7.161 -7.615 1.00 0.00 C ATOM 1153 CZ TYR A 42 -11.776 -6.111 -8.400 1.00 0.00 C ATOM 1154 OH TYR A 42 -11.906 -6.181 -9.766 1.00 0.00 O ATOM 0 H TYR A 42 -9.990 -8.068 -3.946 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.295 -5.220 -4.171 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.913 -6.684 -3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.745 -4.943 -3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.627 -4.049 -6.013 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.387 -7.907 -5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -10.877 -4.177 -8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.639 -8.037 -8.068 1.00 0.00 H new ATOM 0 HH TYR A 42 -12.324 -7.033 -10.012 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.303 -4.632 -1.770 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.134 -4.322 -0.360 1.00 0.00 C ATOM 1166 C TRP A 43 -9.839 -3.016 -0.014 1.00 0.00 C ATOM 1167 O TRP A 43 -10.041 -2.166 -0.872 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.643 -4.213 -0.003 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.771 -5.264 -0.635 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.389 -5.330 -1.944 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.158 -6.385 0.017 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.601 -6.435 -2.151 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.437 -7.094 -0.964 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.150 -6.860 1.332 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.719 -8.252 -0.669 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.436 -8.006 1.622 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.728 -8.689 0.626 1.00 0.00 C ATOM 0 H TRP A 43 -9.016 -3.885 -2.403 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.577 -5.132 0.219 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.281 -3.230 -0.304 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.536 -4.274 1.080 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.666 -4.617 -2.706 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.202 -6.719 -3.046 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.693 -6.340 2.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.176 -8.784 -1.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.424 -8.382 2.634 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.177 -9.581 0.887 1.00 0.00 H new ATOM 1188 N HIS A 44 -10.228 -2.875 1.239 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.754 -1.612 1.752 1.00 0.00 C ATOM 1190 C HIS A 44 -9.724 -1.016 2.700 1.00 0.00 C ATOM 1191 O HIS A 44 -8.637 -1.581 2.859 1.00 0.00 O ATOM 1192 CB HIS A 44 -12.125 -1.786 2.462 1.00 0.00 C ATOM 1193 CG HIS A 44 -12.196 -2.954 3.404 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -11.673 -4.186 3.267 1.00 0.00 N flip ATOM 1195 CD2 HIS A 44 -12.777 -2.928 4.667 1.00 0.00 C flip ATOM 1196 CE1 HIS A 44 -11.899 -4.908 4.411 1.00 0.00 C flip ATOM 1197 NE2 HIS A 44 -12.565 -4.134 5.236 1.00 0.00 N flip ATOM 0 H HIS A 44 -10.191 -3.624 1.931 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.932 -0.939 0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.351 -0.875 3.016 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.900 -1.899 1.704 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -13.302 -2.095 5.112 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.587 -5.925 4.598 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.876 -4.404 6.169 1.00 0.00 H new ATOM 1205 N SER A 45 -10.059 0.099 3.326 1.00 0.00 N ATOM 1206 CA SER A 45 -9.129 0.822 4.189 1.00 0.00 C ATOM 1207 C SER A 45 -8.413 -0.086 5.200 1.00 0.00 C ATOM 1208 O SER A 45 -7.194 -0.007 5.354 1.00 0.00 O ATOM 1209 CB SER A 45 -9.878 1.939 4.909 1.00 0.00 C ATOM 1210 OG SER A 45 -10.889 2.481 4.072 1.00 0.00 O ATOM 0 H SER A 45 -10.980 0.531 3.253 1.00 0.00 H new ATOM 0 HA SER A 45 -8.348 1.240 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.325 1.553 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.180 2.724 5.201 1.00 0.00 H new ATOM 0 HG SER A 45 -11.770 2.209 4.405 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.158 -0.961 5.873 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.572 -1.797 6.922 1.00 0.00 C ATOM 1218 C ARG A 46 -8.103 -3.162 6.401 1.00 0.00 C ATOM 1219 O ARG A 46 -7.565 -3.971 7.164 1.00 0.00 O ATOM 1220 CB ARG A 46 -9.561 -1.975 8.085 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.653 -3.002 7.831 1.00 0.00 C ATOM 1222 CD ARG A 46 -10.412 -4.276 8.625 1.00 0.00 C ATOM 1223 NE ARG A 46 -11.140 -4.287 9.890 1.00 0.00 N ATOM 1224 CZ ARG A 46 -11.680 -5.382 10.430 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -11.620 -6.551 9.789 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -12.307 -5.302 11.598 1.00 0.00 N ATOM 0 H ARG A 46 -10.155 -1.110 5.715 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.685 -1.275 7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.006 -2.266 8.976 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.027 -1.013 8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.621 -2.580 8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.694 -3.237 6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.714 -5.136 8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.345 -4.383 8.821 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.242 -3.405 10.392 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.159 -6.612 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.035 -7.384 10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.375 -4.406 12.080 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.721 -6.137 12.013 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.294 -3.432 5.115 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.848 -4.698 4.548 1.00 0.00 C ATOM 1242 C CYS A 47 -6.394 -4.601 4.125 1.00 0.00 C ATOM 1243 O CYS A 47 -5.571 -5.432 4.516 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.705 -5.111 3.360 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.329 -6.819 3.465 1.00 0.00 S ATOM 0 H CYS A 47 -8.748 -2.802 4.454 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.951 -5.460 5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.551 -4.429 3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.120 -5.003 2.447 1.00 0.00 H new ATOM 0 HG CYS A 47 -9.933 -6.991 4.603 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.086 -3.584 3.339 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.726 -3.362 2.885 1.00 0.00 C ATOM 1252 C LEU A 48 -3.872 -2.834 4.025 1.00 0.00 C ATOM 1253 O LEU A 48 -3.775 -1.631 4.241 1.00 0.00 O ATOM 1254 CB LEU A 48 -4.702 -2.379 1.711 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.172 -2.941 0.389 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.600 -1.821 -0.465 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.126 -4.024 0.629 1.00 0.00 C ATOM 0 H LEU A 48 -6.762 -2.898 3.002 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.317 -4.314 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.715 -2.010 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.091 -1.521 1.991 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.005 -3.399 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.226 -2.233 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.380 -1.089 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.783 -1.337 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.769 -4.403 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.290 -3.604 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.571 -4.839 1.199 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.278 -3.746 4.771 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.392 -3.380 5.857 1.00 0.00 C ATOM 1271 C LYS A 49 -1.136 -4.225 5.798 1.00 0.00 C ATOM 1272 O LYS A 49 -1.184 -5.395 5.415 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.072 -3.548 7.224 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.302 -4.438 7.209 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.980 -5.846 7.678 1.00 0.00 C ATOM 1276 CE LYS A 49 -5.243 -6.621 8.022 1.00 0.00 C ATOM 1277 NZ LYS A 49 -6.300 -6.447 6.989 1.00 0.00 N ATOM 0 H LYS A 49 -3.395 -4.751 4.643 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.134 -2.327 5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.349 -3.961 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.355 -2.564 7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.071 -4.007 7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.712 -4.475 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.429 -6.373 6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.331 -5.800 8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.003 -7.680 8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.621 -6.288 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.901 -7.295 6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.882 -5.618 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.857 -6.307 6.059 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.020 -3.618 6.157 1.00 0.00 N ATOM 1292 CA CYS A 50 1.253 -4.308 6.203 1.00 0.00 C ATOM 1293 C CYS A 50 1.174 -5.473 7.185 1.00 0.00 C ATOM 1294 O CYS A 50 0.677 -5.324 8.300 1.00 0.00 O ATOM 1295 CB CYS A 50 2.341 -3.309 6.603 1.00 0.00 C ATOM 1296 SG CYS A 50 3.895 -4.032 7.222 1.00 0.00 S ATOM 0 H CYS A 50 0.028 -2.635 6.424 1.00 0.00 H new ATOM 0 HA CYS A 50 1.499 -4.718 5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.571 -2.686 5.738 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.938 -2.650 7.372 1.00 0.00 H new ATOM 0 HG CYS A 50 4.843 -3.144 7.157 1.00 0.00 H new ATOM 1301 N SER A 51 1.662 -6.628 6.765 1.00 0.00 N ATOM 1302 CA SER A 51 1.563 -7.834 7.575 1.00 0.00 C ATOM 1303 C SER A 51 2.588 -7.825 8.708 1.00 0.00 C ATOM 1304 O SER A 51 2.633 -8.746 9.523 1.00 0.00 O ATOM 1305 CB SER A 51 1.758 -9.083 6.702 1.00 0.00 C ATOM 1306 OG SER A 51 1.196 -8.908 5.406 1.00 0.00 O ATOM 0 H SER A 51 2.131 -6.758 5.868 1.00 0.00 H new ATOM 0 HA SER A 51 0.566 -7.858 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.822 -9.302 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.296 -9.943 7.187 1.00 0.00 H new ATOM 0 HG SER A 51 1.740 -8.271 4.897 1.00 0.00 H new ATOM 1312 N SER A 52 3.404 -6.781 8.767 1.00 0.00 N ATOM 1313 CA SER A 52 4.449 -6.701 9.773 1.00 0.00 C ATOM 1314 C SER A 52 4.105 -5.688 10.865 1.00 0.00 C ATOM 1315 O SER A 52 4.132 -6.019 12.050 1.00 0.00 O ATOM 1316 CB SER A 52 5.780 -6.351 9.113 1.00 0.00 C ATOM 1317 OG SER A 52 5.654 -6.321 7.698 1.00 0.00 O ATOM 0 H SER A 52 3.361 -5.983 8.133 1.00 0.00 H new ATOM 0 HA SER A 52 4.533 -7.677 10.252 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.124 -5.381 9.472 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.535 -7.083 9.399 1.00 0.00 H new ATOM 0 HG SER A 52 5.435 -5.411 7.408 1.00 0.00 H new ATOM 1323 N CYS A 53 3.753 -4.465 10.479 1.00 0.00 N ATOM 1324 CA CYS A 53 3.456 -3.433 11.467 1.00 0.00 C ATOM 1325 C CYS A 53 1.980 -3.056 11.446 1.00 0.00 C ATOM 1326 O CYS A 53 1.548 -2.151 12.166 1.00 0.00 O ATOM 1327 CB CYS A 53 4.344 -2.202 11.252 1.00 0.00 C ATOM 1328 SG CYS A 53 3.986 -1.243 9.744 1.00 0.00 S ATOM 0 H CYS A 53 3.667 -4.168 9.507 1.00 0.00 H new ATOM 0 HA CYS A 53 3.677 -3.840 12.454 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.241 -1.544 12.115 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.384 -2.525 11.220 1.00 0.00 H new ATOM 0 HG CYS A 53 3.914 -2.047 8.725 1.00 0.00 H new ATOM 1333 N GLN A 54 1.221 -3.757 10.613 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.220 -3.562 10.507 1.00 0.00 C ATOM 1335 C GLN A 54 -0.564 -2.146 10.056 1.00 0.00 C ATOM 1336 O GLN A 54 -1.652 -1.647 10.341 1.00 0.00 O ATOM 1337 CB GLN A 54 -0.910 -3.880 11.835 1.00 0.00 C ATOM 1338 CG GLN A 54 -1.904 -5.025 11.739 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.347 -4.554 11.785 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.091 -4.892 12.704 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -3.753 -3.772 10.798 1.00 0.00 N ATOM 0 H GLN A 54 1.587 -4.478 9.991 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.587 -4.253 9.748 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.153 -4.127 12.579 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.427 -2.989 12.190 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.734 -5.571 10.811 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.728 -5.723 12.557 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.106 -3.513 10.053 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.713 -3.428 10.782 1.00 0.00 H new ATOM 1350 N ALA A 55 0.364 -1.507 9.352 1.00 0.00 N ATOM 1351 CA ALA A 55 0.128 -0.178 8.809 1.00 0.00 C ATOM 1352 C ALA A 55 -1.029 -0.213 7.826 1.00 0.00 C ATOM 1353 O ALA A 55 -0.984 -0.936 6.830 1.00 0.00 O ATOM 1354 CB ALA A 55 1.378 0.361 8.135 1.00 0.00 C ATOM 0 H ALA A 55 1.287 -1.890 9.145 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.128 0.489 9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.177 1.356 7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.188 0.418 8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.668 -0.304 7.321 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.066 0.559 8.117 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.263 0.578 7.290 1.00 0.00 C ATOM 1362 C GLN A 56 -3.021 1.381 6.017 1.00 0.00 C ATOM 1363 O GLN A 56 -3.292 2.578 5.962 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.442 1.159 8.074 1.00 0.00 C ATOM 1365 CG GLN A 56 -5.133 0.141 8.972 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.349 0.707 9.683 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -6.772 0.191 10.719 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -6.925 1.766 9.133 1.00 0.00 N ATOM 0 H GLN A 56 -2.102 1.183 8.923 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.505 -0.447 7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.088 1.990 8.685 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.170 1.566 7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.436 -0.717 8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.422 -0.223 9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.545 2.165 8.275 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.748 2.182 9.568 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.506 0.707 4.999 1.00 0.00 N ATOM 1378 CA LEU A 57 -2.185 1.347 3.732 1.00 0.00 C ATOM 1379 C LEU A 57 -3.454 1.627 2.933 1.00 0.00 C ATOM 1380 O LEU A 57 -3.425 2.377 1.956 1.00 0.00 O ATOM 1381 CB LEU A 57 -1.236 0.461 2.915 1.00 0.00 C ATOM 1382 CG LEU A 57 -0.277 -0.403 3.742 1.00 0.00 C ATOM 1383 CD1 LEU A 57 0.019 -1.718 3.033 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.013 0.353 4.028 1.00 0.00 C ATOM 0 H LEU A 57 -2.300 -0.292 5.027 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.691 2.296 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.832 -0.193 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.648 1.098 2.254 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.761 -0.632 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.702 -2.313 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.910 -2.269 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.477 -1.514 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.681 -0.276 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.497 0.616 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.786 1.262 4.586 1.00 0.00 H new ATOM 1396 N GLY A 58 -4.561 1.025 3.361 1.00 0.00 N ATOM 1397 CA GLY A 58 -5.827 1.189 2.670 1.00 0.00 C ATOM 1398 C GLY A 58 -6.314 2.623 2.658 1.00 0.00 C ATOM 1399 O GLY A 58 -6.547 3.196 1.593 1.00 0.00 O ATOM 0 H GLY A 58 -4.602 0.421 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.722 0.838 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.579 0.560 3.147 1.00 0.00 H new ATOM 1403 N ASP A 59 -6.451 3.225 3.830 1.00 0.00 N ATOM 1404 CA ASP A 59 -6.958 4.592 3.917 1.00 0.00 C ATOM 1405 C ASP A 59 -5.845 5.612 3.721 1.00 0.00 C ATOM 1406 O ASP A 59 -6.021 6.801 3.992 1.00 0.00 O ATOM 1407 CB ASP A 59 -7.678 4.841 5.244 1.00 0.00 C ATOM 1408 CG ASP A 59 -6.920 4.330 6.452 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -6.945 3.106 6.698 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -6.334 5.156 7.181 1.00 0.00 O ATOM 0 H ASP A 59 -6.222 2.797 4.727 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.680 4.715 3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.849 5.911 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.657 4.363 5.211 1.00 0.00 H new ATOM 1415 N ILE A 60 -4.712 5.142 3.231 1.00 0.00 N ATOM 1416 CA ILE A 60 -3.593 6.015 2.909 1.00 0.00 C ATOM 1417 C ILE A 60 -3.346 6.026 1.407 1.00 0.00 C ATOM 1418 O ILE A 60 -3.172 7.081 0.793 1.00 0.00 O ATOM 1419 CB ILE A 60 -2.304 5.589 3.645 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -2.513 5.650 5.162 1.00 0.00 C ATOM 1421 CG2 ILE A 60 -1.134 6.472 3.226 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -1.298 5.232 5.967 1.00 0.00 C ATOM 0 H ILE A 60 -4.540 4.154 3.046 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.857 7.019 3.243 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.070 4.560 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.789 6.667 5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.352 5.008 5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.234 6.158 3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.975 6.380 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.355 7.510 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.525 5.302 7.031 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.033 4.204 5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.461 5.889 5.730 1.00 0.00 H new ATOM 1434 N GLY A 61 -3.348 4.842 0.831 1.00 0.00 N ATOM 1435 CA GLY A 61 -3.148 4.696 -0.600 1.00 0.00 C ATOM 1436 C GLY A 61 -1.719 4.324 -0.944 1.00 0.00 C ATOM 1437 O GLY A 61 -1.286 4.474 -2.087 1.00 0.00 O ATOM 0 H GLY A 61 -3.486 3.964 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.823 3.931 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.409 5.630 -1.099 1.00 0.00 H new ATOM 1441 N THR A 62 -0.992 3.834 0.047 1.00 0.00 N ATOM 1442 CA THR A 62 0.408 3.491 -0.123 1.00 0.00 C ATOM 1443 C THR A 62 0.580 2.175 -0.874 1.00 0.00 C ATOM 1444 O THR A 62 0.043 1.142 -0.465 1.00 0.00 O ATOM 1445 CB THR A 62 1.100 3.382 1.245 1.00 0.00 C ATOM 1446 OG1 THR A 62 0.138 3.596 2.288 1.00 0.00 O ATOM 1447 CG2 THR A 62 2.228 4.395 1.368 1.00 0.00 C ATOM 0 H THR A 62 -1.354 3.664 0.985 1.00 0.00 H new ATOM 0 HA THR A 62 0.866 4.287 -0.710 1.00 0.00 H new ATOM 0 HB THR A 62 1.527 2.384 1.338 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.580 3.525 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.701 4.296 2.345 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.967 4.213 0.588 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.826 5.402 1.259 1.00 0.00 H new ATOM 1455 N SER A 63 1.321 2.221 -1.972 1.00 0.00 N ATOM 1456 CA SER A 63 1.648 1.019 -2.723 1.00 0.00 C ATOM 1457 C SER A 63 2.602 0.144 -1.918 1.00 0.00 C ATOM 1458 O SER A 63 3.768 0.493 -1.717 1.00 0.00 O ATOM 1459 CB SER A 63 2.267 1.395 -4.070 1.00 0.00 C ATOM 1460 OG SER A 63 1.411 2.272 -4.794 1.00 0.00 O ATOM 0 H SER A 63 1.708 3.080 -2.363 1.00 0.00 H new ATOM 0 HA SER A 63 0.734 0.454 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.233 1.873 -3.910 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.450 0.494 -4.655 1.00 0.00 H new ATOM 0 HG SER A 63 1.830 2.508 -5.648 1.00 0.00 H new ATOM 1466 N SER A 64 2.092 -0.978 -1.440 1.00 0.00 N ATOM 1467 CA SER A 64 2.862 -1.876 -0.599 1.00 0.00 C ATOM 1468 C SER A 64 3.845 -2.694 -1.433 1.00 0.00 C ATOM 1469 O SER A 64 3.696 -2.812 -2.650 1.00 0.00 O ATOM 1470 CB SER A 64 1.906 -2.792 0.161 1.00 0.00 C ATOM 1471 OG SER A 64 0.556 -2.450 -0.118 1.00 0.00 O ATOM 0 H SER A 64 1.138 -1.290 -1.623 1.00 0.00 H new ATOM 0 HA SER A 64 3.443 -1.290 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.089 -3.830 -0.119 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.093 -2.713 1.232 1.00 0.00 H new ATOM 0 HG SER A 64 -0.042 -3.049 0.376 1.00 0.00 H new ATOM 1477 N TYR A 65 4.851 -3.247 -0.783 1.00 0.00 N ATOM 1478 CA TYR A 65 5.846 -4.053 -1.473 1.00 0.00 C ATOM 1479 C TYR A 65 5.596 -5.524 -1.195 1.00 0.00 C ATOM 1480 O TYR A 65 4.938 -5.871 -0.210 1.00 0.00 O ATOM 1481 CB TYR A 65 7.255 -3.674 -1.023 1.00 0.00 C ATOM 1482 CG TYR A 65 7.757 -2.367 -1.592 1.00 0.00 C ATOM 1483 CD1 TYR A 65 7.297 -1.155 -1.100 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.701 -2.347 -2.610 1.00 0.00 C ATOM 1485 CE1 TYR A 65 7.756 0.041 -1.610 1.00 0.00 C ATOM 1486 CE2 TYR A 65 9.165 -1.151 -3.126 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.691 0.039 -2.620 1.00 0.00 C ATOM 1488 OH TYR A 65 9.153 1.231 -3.126 1.00 0.00 O ATOM 0 H TYR A 65 5.003 -3.154 0.221 1.00 0.00 H new ATOM 0 HA TYR A 65 5.763 -3.865 -2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.273 -3.614 0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.942 -4.470 -1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.567 -1.148 -0.304 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.078 -3.279 -3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.383 0.976 -1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.895 -1.150 -3.922 1.00 0.00 H new ATOM 0 HH TYR A 65 9.809 1.054 -3.832 1.00 0.00 H new ATOM 1498 N THR A 66 6.118 -6.390 -2.046 1.00 0.00 N ATOM 1499 CA THR A 66 5.889 -7.808 -1.893 1.00 0.00 C ATOM 1500 C THR A 66 7.027 -8.628 -2.492 1.00 0.00 C ATOM 1501 O THR A 66 7.937 -8.088 -3.117 1.00 0.00 O ATOM 1502 CB THR A 66 4.548 -8.220 -2.537 1.00 0.00 C ATOM 1503 OG1 THR A 66 4.049 -9.408 -1.910 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.699 -8.449 -4.035 1.00 0.00 C ATOM 0 H THR A 66 6.699 -6.134 -2.844 1.00 0.00 H new ATOM 0 HA THR A 66 5.847 -8.015 -0.824 1.00 0.00 H new ATOM 0 HB THR A 66 3.839 -7.405 -2.390 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.303 -9.410 -0.964 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.737 -8.738 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.043 -7.531 -4.511 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.425 -9.243 -4.210 1.00 0.00 H new ATOM 1512 N LYS A 67 6.957 -9.934 -2.276 1.00 0.00 N ATOM 1513 CA LYS A 67 7.921 -10.873 -2.815 1.00 0.00 C ATOM 1514 C LYS A 67 7.337 -12.277 -2.752 1.00 0.00 C ATOM 1515 O LYS A 67 6.841 -12.801 -3.747 1.00 0.00 O ATOM 1516 CB LYS A 67 9.235 -10.804 -2.033 1.00 0.00 C ATOM 1517 CG LYS A 67 10.468 -10.884 -2.917 1.00 0.00 C ATOM 1518 CD LYS A 67 11.740 -10.995 -2.096 1.00 0.00 C ATOM 1519 CE LYS A 67 12.635 -12.111 -2.611 1.00 0.00 C ATOM 1520 NZ LYS A 67 14.073 -11.785 -2.452 1.00 0.00 N ATOM 0 H LYS A 67 6.224 -10.371 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 67 8.135 -10.615 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.263 -9.874 -1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.262 -11.619 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.386 -11.746 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.520 -9.999 -3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.280 -10.049 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.487 -11.182 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.410 -13.033 -2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.418 -12.294 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.649 -12.571 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.294 -10.919 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.286 -11.636 -1.445 1.00 0.00 H new ATOM 1534 N SER A 68 7.355 -12.858 -1.562 1.00 0.00 N ATOM 1535 CA SER A 68 6.814 -14.193 -1.345 1.00 0.00 C ATOM 1536 C SER A 68 5.336 -14.131 -0.953 1.00 0.00 C ATOM 1537 O SER A 68 4.892 -14.824 -0.037 1.00 0.00 O ATOM 1538 CB SER A 68 7.630 -14.889 -0.257 1.00 0.00 C ATOM 1539 OG SER A 68 8.949 -14.369 -0.217 1.00 0.00 O ATOM 0 H SER A 68 7.742 -12.422 -0.725 1.00 0.00 H new ATOM 0 HA SER A 68 6.882 -14.761 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.149 -14.751 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.661 -15.962 -0.448 1.00 0.00 H new ATOM 0 HG SER A 68 9.066 -13.837 0.597 1.00 0.00 H new ATOM 1545 N GLY A 69 4.581 -13.282 -1.643 1.00 0.00 N ATOM 1546 CA GLY A 69 3.157 -13.153 -1.373 1.00 0.00 C ATOM 1547 C GLY A 69 2.851 -12.315 -0.142 1.00 0.00 C ATOM 1548 O GLY A 69 1.691 -12.040 0.160 1.00 0.00 O ATOM 0 H GLY A 69 4.930 -12.678 -2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.669 -12.705 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.728 -14.146 -1.243 1.00 0.00 H new ATOM 1552 N MET A 70 3.889 -11.907 0.569 1.00 0.00 N ATOM 1553 CA MET A 70 3.727 -11.114 1.779 1.00 0.00 C ATOM 1554 C MET A 70 3.590 -9.636 1.440 1.00 0.00 C ATOM 1555 O MET A 70 4.408 -9.086 0.708 1.00 0.00 O ATOM 1556 CB MET A 70 4.921 -11.328 2.704 1.00 0.00 C ATOM 1557 CG MET A 70 4.549 -11.898 4.059 1.00 0.00 C ATOM 1558 SD MET A 70 5.948 -11.942 5.194 1.00 0.00 S ATOM 1559 CE MET A 70 6.556 -13.605 4.916 1.00 0.00 C ATOM 0 H MET A 70 4.859 -12.113 0.328 1.00 0.00 H new ATOM 0 HA MET A 70 2.817 -11.437 2.285 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.629 -12.000 2.219 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.433 -10.376 2.848 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.750 -11.299 4.495 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.157 -12.907 3.930 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.425 -13.785 5.549 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.774 -14.324 5.160 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.840 -13.719 3.870 1.00 0.00 H new ATOM 1569 N ILE A 71 2.554 -9.005 1.968 1.00 0.00 N ATOM 1570 CA ILE A 71 2.319 -7.589 1.727 1.00 0.00 C ATOM 1571 C ILE A 71 2.863 -6.767 2.883 1.00 0.00 C ATOM 1572 O ILE A 71 2.349 -6.831 4.002 1.00 0.00 O ATOM 1573 CB ILE A 71 0.819 -7.270 1.539 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.005 -8.557 1.394 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.620 -6.369 0.330 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.366 -8.481 2.049 1.00 0.00 C ATOM 0 H ILE A 71 1.860 -9.451 2.568 1.00 0.00 H new ATOM 0 HA ILE A 71 2.837 -7.330 0.803 1.00 0.00 H new ATOM 0 HB ILE A 71 0.468 -6.746 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.133 -8.779 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.553 -9.387 1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.441 -6.152 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.167 -5.437 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.992 -6.871 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.892 -9.425 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.246 -8.290 3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.942 -7.673 1.598 1.00 0.00 H new ATOM 1588 N LEU A 72 3.913 -6.010 2.615 1.00 0.00 N ATOM 1589 CA LEU A 72 4.567 -5.224 3.648 1.00 0.00 C ATOM 1590 C LEU A 72 4.685 -3.770 3.216 1.00 0.00 C ATOM 1591 O LEU A 72 4.638 -3.464 2.020 1.00 0.00 O ATOM 1592 CB LEU A 72 5.954 -5.801 3.949 1.00 0.00 C ATOM 1593 CG LEU A 72 6.104 -7.302 3.678 1.00 0.00 C ATOM 1594 CD1 LEU A 72 7.533 -7.640 3.285 1.00 0.00 C ATOM 1595 CD2 LEU A 72 5.687 -8.108 4.896 1.00 0.00 C ATOM 0 H LEU A 72 4.332 -5.923 1.689 1.00 0.00 H new ATOM 0 HA LEU A 72 3.962 -5.267 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.692 -5.264 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.191 -5.611 4.996 1.00 0.00 H new ATOM 0 HG LEU A 72 5.449 -7.563 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.615 -8.711 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.801 -7.092 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.209 -7.360 4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.800 -9.171 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.316 -7.837 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.645 -7.894 5.134 1.00 0.00 H new ATOM 1607 N CYS A 73 4.841 -2.876 4.184 1.00 0.00 N ATOM 1608 CA CYS A 73 4.914 -1.455 3.896 1.00 0.00 C ATOM 1609 C CYS A 73 6.252 -1.087 3.252 1.00 0.00 C ATOM 1610 O CYS A 73 7.151 -1.925 3.119 1.00 0.00 O ATOM 1611 CB CYS A 73 4.696 -0.634 5.174 1.00 0.00 C ATOM 1612 SG CYS A 73 5.966 -0.875 6.462 1.00 0.00 S ATOM 0 H CYS A 73 4.919 -3.112 5.173 1.00 0.00 H new ATOM 0 HA CYS A 73 4.121 -1.219 3.187 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.663 0.423 4.909 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.722 -0.889 5.591 1.00 0.00 H new ATOM 0 HG CYS A 73 5.390 -1.009 7.620 1.00 0.00 H new ATOM 1617 N ARG A 74 6.372 0.180 2.874 1.00 0.00 N ATOM 1618 CA ARG A 74 7.583 0.701 2.245 1.00 0.00 C ATOM 1619 C ARG A 74 8.774 0.581 3.194 1.00 0.00 C ATOM 1620 O ARG A 74 9.914 0.398 2.766 1.00 0.00 O ATOM 1621 CB ARG A 74 7.376 2.169 1.849 1.00 0.00 C ATOM 1622 CG ARG A 74 8.108 2.574 0.576 1.00 0.00 C ATOM 1623 CD ARG A 74 9.541 3.008 0.858 1.00 0.00 C ATOM 1624 NE ARG A 74 9.607 4.154 1.762 1.00 0.00 N ATOM 1625 CZ ARG A 74 10.256 4.148 2.925 1.00 0.00 C ATOM 1626 NH1 ARG A 74 10.908 3.062 3.325 1.00 0.00 N ATOM 1627 NH2 ARG A 74 10.248 5.228 3.691 1.00 0.00 N ATOM 0 H ARG A 74 5.635 0.875 2.994 1.00 0.00 H new ATOM 0 HA ARG A 74 7.791 0.114 1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.310 2.353 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.711 2.807 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.113 1.737 -0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.570 3.389 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.092 2.174 1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.033 3.260 -0.081 1.00 0.00 H new ATOM 0 HE ARG A 74 9.127 5.010 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.914 2.226 2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.403 3.064 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.745 6.063 3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.745 5.225 4.582 1.00 0.00 H new ATOM 1641 N ASN A 75 8.495 0.689 4.483 1.00 0.00 N ATOM 1642 CA ASN A 75 9.532 0.649 5.504 1.00 0.00 C ATOM 1643 C ASN A 75 9.893 -0.793 5.848 1.00 0.00 C ATOM 1644 O ASN A 75 11.068 -1.141 5.986 1.00 0.00 O ATOM 1645 CB ASN A 75 9.043 1.385 6.759 1.00 0.00 C ATOM 1646 CG ASN A 75 10.155 1.676 7.755 1.00 0.00 C ATOM 1647 OD1 ASN A 75 10.585 0.796 8.503 1.00 0.00 O ATOM 1648 ND2 ASN A 75 10.613 2.920 7.792 1.00 0.00 N ATOM 0 H ASN A 75 7.551 0.806 4.850 1.00 0.00 H new ATOM 0 HA ASN A 75 10.425 1.142 5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.575 2.324 6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.274 0.786 7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.345 3.174 8.455 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.233 3.622 7.157 1.00 0.00 H new ATOM 1655 N ASP A 76 8.871 -1.634 5.949 1.00 0.00 N ATOM 1656 CA ASP A 76 9.039 -2.992 6.456 1.00 0.00 C ATOM 1657 C ASP A 76 9.651 -3.924 5.433 1.00 0.00 C ATOM 1658 O ASP A 76 10.455 -4.779 5.790 1.00 0.00 O ATOM 1659 CB ASP A 76 7.708 -3.573 6.914 1.00 0.00 C ATOM 1660 CG ASP A 76 7.623 -3.687 8.418 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.513 -4.335 9.029 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.668 -3.136 8.995 1.00 0.00 O ATOM 0 H ASP A 76 7.914 -1.399 5.686 1.00 0.00 H new ATOM 0 HA ASP A 76 9.723 -2.914 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.895 -2.943 6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.571 -4.558 6.468 1.00 0.00 H new ATOM 1667 N TYR A 77 9.274 -3.780 4.166 1.00 0.00 N ATOM 1668 CA TYR A 77 9.761 -4.697 3.140 1.00 0.00 C ATOM 1669 C TYR A 77 11.284 -4.708 3.085 1.00 0.00 C ATOM 1670 O TYR A 77 11.897 -5.768 2.988 1.00 0.00 O ATOM 1671 CB TYR A 77 9.208 -4.360 1.753 1.00 0.00 C ATOM 1672 CG TYR A 77 9.861 -5.184 0.667 1.00 0.00 C ATOM 1673 CD1 TYR A 77 9.670 -6.559 0.610 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.692 -4.598 -0.276 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.297 -7.325 -0.351 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.314 -5.358 -1.246 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.114 -6.720 -1.278 1.00 0.00 C ATOM 1678 OH TYR A 77 11.752 -7.480 -2.227 1.00 0.00 O ATOM 0 H TYR A 77 8.645 -3.052 3.829 1.00 0.00 H new ATOM 0 HA TYR A 77 9.403 -5.687 3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.132 -4.532 1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.364 -3.301 1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.021 -7.036 1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.855 -3.531 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.147 -8.394 -0.375 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.955 -4.887 -1.977 1.00 0.00 H new ATOM 0 HH TYR A 77 12.722 -7.403 -2.110 1.00 0.00 H new ATOM 1688 N ILE A 78 11.888 -3.531 3.164 1.00 0.00 N ATOM 1689 CA ILE A 78 13.340 -3.421 3.089 1.00 0.00 C ATOM 1690 C ILE A 78 13.979 -3.974 4.356 1.00 0.00 C ATOM 1691 O ILE A 78 15.105 -4.468 4.338 1.00 0.00 O ATOM 1692 CB ILE A 78 13.796 -1.961 2.885 1.00 0.00 C ATOM 1693 CG1 ILE A 78 12.820 -1.213 1.975 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.197 -1.927 2.298 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.088 0.275 1.894 1.00 0.00 C ATOM 0 H ILE A 78 11.400 -2.643 3.279 1.00 0.00 H new ATOM 0 HA ILE A 78 13.662 -4.004 2.226 1.00 0.00 H new ATOM 0 HB ILE A 78 13.809 -1.464 3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.872 -1.638 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.804 -1.372 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.508 -0.892 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.888 -2.425 2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.201 -2.440 1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.358 0.741 1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.008 0.714 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.092 0.443 1.503 1.00 0.00 H new ATOM 1707 N ARG A 79 13.243 -3.889 5.453 1.00 0.00 N ATOM 1708 CA ARG A 79 13.699 -4.415 6.730 1.00 0.00 C ATOM 1709 C ARG A 79 13.591 -5.940 6.757 1.00 0.00 C ATOM 1710 O ARG A 79 14.438 -6.625 7.329 1.00 0.00 O ATOM 1711 CB ARG A 79 12.870 -3.806 7.863 1.00 0.00 C ATOM 1712 CG ARG A 79 13.321 -4.228 9.252 1.00 0.00 C ATOM 1713 CD ARG A 79 12.241 -3.968 10.294 1.00 0.00 C ATOM 1714 NE ARG A 79 11.028 -4.743 10.038 1.00 0.00 N ATOM 1715 CZ ARG A 79 10.862 -6.018 10.386 1.00 0.00 C ATOM 1716 NH1 ARG A 79 11.823 -6.680 11.024 1.00 0.00 N ATOM 1717 NH2 ARG A 79 9.718 -6.621 10.104 1.00 0.00 N ATOM 0 H ARG A 79 12.320 -3.457 5.484 1.00 0.00 H new ATOM 0 HA ARG A 79 14.747 -4.146 6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.917 -2.719 7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.826 -4.089 7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.575 -5.288 9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.227 -3.685 9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.626 -4.215 11.283 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.996 -2.906 10.304 1.00 0.00 H new ATOM 0 HE ARG A 79 10.257 -4.276 9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.700 -6.212 11.252 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.683 -7.656 11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.976 -6.110 9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.578 -7.597 10.365 1.00 0.00 H new ATOM 1731 N LEU A 80 12.542 -6.463 6.136 1.00 0.00 N ATOM 1732 CA LEU A 80 12.306 -7.898 6.096 1.00 0.00 C ATOM 1733 C LEU A 80 13.144 -8.571 5.015 1.00 0.00 C ATOM 1734 O LEU A 80 13.967 -9.438 5.307 1.00 0.00 O ATOM 1735 CB LEU A 80 10.824 -8.182 5.845 1.00 0.00 C ATOM 1736 CG LEU A 80 9.979 -8.341 7.105 1.00 0.00 C ATOM 1737 CD1 LEU A 80 8.659 -7.604 6.958 1.00 0.00 C ATOM 1738 CD2 LEU A 80 9.742 -9.812 7.397 1.00 0.00 C ATOM 0 H LEU A 80 11.837 -5.909 5.650 1.00 0.00 H new ATOM 0 HA LEU A 80 12.599 -8.308 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.410 -7.370 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.739 -9.092 5.251 1.00 0.00 H new ATOM 0 HG LEU A 80 10.521 -7.905 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.070 -7.729 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.851 -6.544 6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.108 -8.010 6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.138 -9.911 8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.219 -10.270 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.699 -10.312 7.545 1.00 0.00 H new ATOM 1750 N PHE A 81 12.938 -8.166 3.771 1.00 0.00 N ATOM 1751 CA PHE A 81 13.611 -8.797 2.642 1.00 0.00 C ATOM 1752 C PHE A 81 14.692 -7.879 2.077 1.00 0.00 C ATOM 1753 O PHE A 81 15.784 -7.771 2.640 1.00 0.00 O ATOM 1754 CB PHE A 81 12.599 -9.162 1.546 1.00 0.00 C ATOM 1755 CG PHE A 81 11.640 -10.256 1.929 1.00 0.00 C ATOM 1756 CD1 PHE A 81 11.943 -11.586 1.678 1.00 0.00 C ATOM 1757 CD2 PHE A 81 10.426 -9.953 2.527 1.00 0.00 C ATOM 1758 CE1 PHE A 81 11.056 -12.589 2.019 1.00 0.00 C ATOM 1759 CE2 PHE A 81 9.535 -10.952 2.869 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.850 -12.271 2.614 1.00 0.00 C ATOM 0 H PHE A 81 12.310 -7.403 3.516 1.00 0.00 H new ATOM 0 HA PHE A 81 14.085 -9.712 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.029 -8.271 1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 81 13.143 -9.468 0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.883 -11.840 1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.174 -8.922 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.305 -13.621 1.821 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.594 -10.701 3.335 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.155 -13.054 2.879 1.00 0.00 H new ATOM 1770 N GLY A 82 14.385 -7.223 0.969 1.00 0.00 N ATOM 1771 CA GLY A 82 15.338 -6.339 0.339 1.00 0.00 C ATOM 1772 C GLY A 82 15.375 -6.534 -1.160 1.00 0.00 C ATOM 1773 O GLY A 82 16.413 -6.224 -1.779 1.00 0.00 O ATOM 1774 OXT GLY A 82 14.366 -7.010 -1.722 1.00 0.00 O ATOM 0 H GLY A 82 13.485 -7.289 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.080 -5.305 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.330 -6.518 0.754 1.00 0.00 H new