USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 567 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 44 SER OG : rot 170:sc= -0.114 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.05) USER MOD Set 2.2: A 42 THR OG1 : rot -92:sc= 0.0873 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0353 USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 1.32 (180deg=1.19) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 100:sc= -0.0516 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 45 THR OG1 : rot -73:sc= 1.29 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 116:sc= 1.36 USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0594) USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 2.45 (180deg=2.34) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -145:sc= 1.03 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 139:sc= 0.846 (180deg=-0.515) USER MOD Single : A 91 LYS NZ :NH3+ -146:sc= 0.791 (180deg=0.179) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 2.873 -6.192 2.423 1.00 0.00 N ATOM 329 CA ALA A 22 3.723 -5.085 2.004 1.00 0.00 C ATOM 330 C ALA A 22 3.699 -3.960 3.034 1.00 0.00 C ATOM 331 O ALA A 22 2.664 -3.324 3.248 1.00 0.00 O ATOM 332 CB ALA A 22 3.288 -4.571 0.641 1.00 0.00 C ATOM 0 HA ALA A 22 4.747 -5.450 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.932 -3.744 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.364 -5.374 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.256 -4.225 0.695 1.00 0.00 H new ATOM 338 N GLU A 23 4.832 -3.731 3.679 1.00 0.00 N ATOM 339 CA GLU A 23 4.948 -2.680 4.673 1.00 0.00 C ATOM 340 C GLU A 23 5.866 -1.559 4.197 1.00 0.00 C ATOM 341 O GLU A 23 6.629 -1.720 3.241 1.00 0.00 O ATOM 342 CB GLU A 23 5.479 -3.251 5.984 1.00 0.00 C ATOM 343 CG GLU A 23 4.459 -4.063 6.760 1.00 0.00 C ATOM 344 CD GLU A 23 4.965 -4.460 8.130 1.00 0.00 C ATOM 345 OE1 GLU A 23 5.165 -3.561 8.977 1.00 0.00 O ATOM 346 OE2 GLU A 23 5.145 -5.669 8.382 1.00 0.00 O ATOM 0 H GLU A 23 5.689 -4.264 3.529 1.00 0.00 H new ATOM 0 HA GLU A 23 3.953 -2.264 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.343 -3.880 5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.828 -2.431 6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.542 -3.484 6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.205 -4.960 6.195 1.00 0.00 H new ATOM 353 N ILE A 24 5.778 -0.422 4.874 1.00 0.00 N ATOM 354 CA ILE A 24 6.631 0.723 4.587 1.00 0.00 C ATOM 355 C ILE A 24 7.835 0.716 5.528 1.00 0.00 C ATOM 356 O ILE A 24 7.694 0.409 6.713 1.00 0.00 O ATOM 357 CB ILE A 24 5.870 2.058 4.766 1.00 0.00 C ATOM 358 CG1 ILE A 24 4.568 2.060 3.957 1.00 0.00 C ATOM 359 CG2 ILE A 24 6.745 3.239 4.364 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.775 2.005 2.461 1.00 0.00 C ATOM 0 H ILE A 24 5.116 -0.268 5.635 1.00 0.00 H new ATOM 0 HA ILE A 24 6.955 0.642 3.549 1.00 0.00 H new ATOM 0 HB ILE A 24 5.618 2.159 5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.962 1.207 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.001 2.958 4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.188 4.167 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.639 3.258 4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.035 3.138 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.807 2.010 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.354 2.872 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.314 1.094 2.201 1.00 0.00 H new ATOM 372 N MET A 25 9.009 1.041 5.007 1.00 0.00 N ATOM 373 CA MET A 25 10.214 1.116 5.830 1.00 0.00 C ATOM 374 C MET A 25 11.019 2.368 5.509 1.00 0.00 C ATOM 375 O MET A 25 10.888 2.938 4.423 1.00 0.00 O ATOM 376 CB MET A 25 11.092 -0.123 5.631 1.00 0.00 C ATOM 377 CG MET A 25 10.517 -1.394 6.232 1.00 0.00 C ATOM 378 SD MET A 25 10.367 -1.312 8.029 1.00 0.00 S ATOM 379 CE MET A 25 9.649 -2.917 8.374 1.00 0.00 C ATOM 0 H MET A 25 9.156 1.257 4.021 1.00 0.00 H new ATOM 0 HA MET A 25 9.895 1.160 6.871 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.248 -0.277 4.563 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.071 0.064 6.072 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.535 -1.584 5.798 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.153 -2.238 5.963 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.494 -3.023 9.448 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.693 -3.006 7.858 1.00 0.00 H new ATOM 0 HE3 MET A 25 10.323 -3.700 8.026 1.00 0.00 H new ATOM 389 N LYS A 26 11.831 2.803 6.470 1.00 0.00 N ATOM 390 CA LYS A 26 12.755 3.908 6.262 1.00 0.00 C ATOM 391 C LYS A 26 13.979 3.422 5.502 1.00 0.00 C ATOM 392 O LYS A 26 14.034 2.266 5.103 1.00 0.00 O ATOM 393 CB LYS A 26 13.202 4.476 7.603 1.00 0.00 C ATOM 394 CG LYS A 26 12.072 4.951 8.492 1.00 0.00 C ATOM 395 CD LYS A 26 12.622 5.567 9.764 1.00 0.00 C ATOM 396 CE LYS A 26 11.526 6.007 10.715 1.00 0.00 C ATOM 397 NZ LYS A 26 12.100 6.513 11.988 1.00 0.00 N ATOM 0 H LYS A 26 11.865 2.401 7.407 1.00 0.00 H new ATOM 0 HA LYS A 26 12.247 4.683 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.770 3.713 8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.880 5.310 7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.465 5.683 7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.419 4.114 8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.266 4.844 10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.244 6.425 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.925 6.787 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.859 5.170 10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.331 6.808 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.654 5.759 12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.718 7.326 11.791 1.00 0.00 H new ATOM 411 N LYS A 27 14.970 4.288 5.324 1.00 0.00 N ATOM 412 CA LYS A 27 16.202 3.891 4.659 1.00 0.00 C ATOM 413 C LYS A 27 17.118 3.199 5.665 1.00 0.00 C ATOM 414 O LYS A 27 17.836 2.261 5.322 1.00 0.00 O ATOM 415 CB LYS A 27 16.898 5.106 4.027 1.00 0.00 C ATOM 416 CG LYS A 27 17.836 4.755 2.873 1.00 0.00 C ATOM 417 CD LYS A 27 19.159 4.171 3.351 1.00 0.00 C ATOM 418 CE LYS A 27 19.945 3.541 2.210 1.00 0.00 C ATOM 419 NZ LYS A 27 21.286 3.072 2.651 1.00 0.00 N ATOM 0 H LYS A 27 14.944 5.261 5.628 1.00 0.00 H new ATOM 0 HA LYS A 27 15.966 3.194 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.139 5.800 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.466 5.628 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.344 4.039 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.030 5.650 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.757 4.956 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.969 3.421 4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.383 2.701 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.061 4.267 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 21.789 2.650 1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 21.833 3.878 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.175 2.360 3.401 1.00 0.00 H new ATOM 433 N THR A 28 17.069 3.652 6.913 1.00 0.00 N ATOM 434 CA THR A 28 17.825 3.024 7.977 1.00 0.00 C ATOM 435 C THR A 28 17.296 1.617 8.231 1.00 0.00 C ATOM 436 O THR A 28 18.057 0.651 8.267 1.00 0.00 O ATOM 437 CB THR A 28 17.743 3.859 9.266 1.00 0.00 C ATOM 438 OG1 THR A 28 16.371 4.103 9.605 1.00 0.00 O ATOM 439 CG2 THR A 28 18.476 5.182 9.104 1.00 0.00 C ATOM 0 H THR A 28 16.511 4.453 7.207 1.00 0.00 H new ATOM 0 HA THR A 28 18.869 2.963 7.671 1.00 0.00 H new ATOM 0 HB THR A 28 18.220 3.296 10.068 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.327 4.634 10.428 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.403 5.754 10.029 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.525 4.991 8.877 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.026 5.750 8.290 1.00 0.00 H new ATOM 447 N ASP A 29 15.980 1.510 8.384 1.00 0.00 N ATOM 448 CA ASP A 29 15.316 0.216 8.514 1.00 0.00 C ATOM 449 C ASP A 29 15.533 -0.610 7.255 1.00 0.00 C ATOM 450 O ASP A 29 15.746 -1.812 7.335 1.00 0.00 O ATOM 451 CB ASP A 29 13.813 0.397 8.767 1.00 0.00 C ATOM 452 CG ASP A 29 13.501 1.008 10.124 1.00 0.00 C ATOM 453 OD1 ASP A 29 13.712 2.229 10.301 1.00 0.00 O ATOM 454 OD2 ASP A 29 13.017 0.279 11.015 1.00 0.00 O ATOM 0 H ASP A 29 15.348 2.310 8.421 1.00 0.00 H new ATOM 0 HA ASP A 29 15.749 -0.307 9.367 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.394 1.031 7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.319 -0.572 8.690 1.00 0.00 H new ATOM 459 N PHE A 30 15.494 0.046 6.097 1.00 0.00 N ATOM 460 CA PHE A 30 15.765 -0.625 4.829 1.00 0.00 C ATOM 461 C PHE A 30 17.132 -1.289 4.849 1.00 0.00 C ATOM 462 O PHE A 30 17.262 -2.438 4.469 1.00 0.00 O ATOM 463 CB PHE A 30 15.685 0.350 3.651 1.00 0.00 C ATOM 464 CG PHE A 30 16.271 -0.201 2.383 1.00 0.00 C ATOM 465 CD1 PHE A 30 15.724 -1.319 1.780 1.00 0.00 C ATOM 466 CD2 PHE A 30 17.378 0.398 1.801 1.00 0.00 C ATOM 467 CE1 PHE A 30 16.274 -1.837 0.625 1.00 0.00 C ATOM 468 CE2 PHE A 30 17.931 -0.113 0.643 1.00 0.00 C ATOM 469 CZ PHE A 30 17.379 -1.232 0.053 1.00 0.00 C ATOM 0 H PHE A 30 15.278 1.039 6.011 1.00 0.00 H new ATOM 0 HA PHE A 30 14.999 -1.389 4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.642 0.613 3.477 1.00 0.00 H new ATOM 0 HB3 PHE A 30 16.206 1.270 3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.857 -1.792 2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 30 17.813 1.274 2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 30 15.842 -2.715 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 30 18.794 0.362 0.200 1.00 0.00 H new ATOM 0 HZ PHE A 30 17.808 -1.634 -0.853 1.00 0.00 H new ATOM 479 N ASP A 31 18.141 -0.565 5.303 1.00 0.00 N ATOM 480 CA ASP A 31 19.503 -1.096 5.354 1.00 0.00 C ATOM 481 C ASP A 31 19.578 -2.300 6.284 1.00 0.00 C ATOM 482 O ASP A 31 20.346 -3.235 6.059 1.00 0.00 O ATOM 483 CB ASP A 31 20.467 0.003 5.816 1.00 0.00 C ATOM 484 CG ASP A 31 21.896 -0.479 5.988 1.00 0.00 C ATOM 485 OD1 ASP A 31 22.616 -0.594 4.976 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.318 -0.714 7.145 1.00 0.00 O ATOM 0 H ASP A 31 18.048 0.392 5.643 1.00 0.00 H new ATOM 0 HA ASP A 31 19.791 -1.425 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.451 0.817 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.113 0.411 6.763 1.00 0.00 H new ATOM 491 N LYS A 32 18.755 -2.277 7.314 1.00 0.00 N ATOM 492 CA LYS A 32 18.744 -3.323 8.317 1.00 0.00 C ATOM 493 C LYS A 32 17.895 -4.513 7.885 1.00 0.00 C ATOM 494 O LYS A 32 18.175 -5.650 8.267 1.00 0.00 O ATOM 495 CB LYS A 32 18.254 -2.739 9.642 1.00 0.00 C ATOM 496 CG LYS A 32 19.380 -2.172 10.491 1.00 0.00 C ATOM 497 CD LYS A 32 20.122 -1.074 9.750 1.00 0.00 C ATOM 498 CE LYS A 32 21.400 -0.660 10.451 1.00 0.00 C ATOM 499 NZ LYS A 32 22.126 0.377 9.677 1.00 0.00 N ATOM 0 H LYS A 32 18.076 -1.534 7.479 1.00 0.00 H new ATOM 0 HA LYS A 32 19.759 -3.700 8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.527 -1.953 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.736 -3.515 10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 32 18.974 -1.777 11.422 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.075 -2.968 10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 32 20.359 -1.416 8.743 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.471 -0.206 9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.165 -0.278 11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.041 -1.531 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.037 0.579 10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.295 0.034 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.556 1.246 9.641 1.00 0.00 H new ATOM 513 N VAL A 33 16.865 -4.261 7.090 1.00 0.00 N ATOM 514 CA VAL A 33 16.046 -5.346 6.566 1.00 0.00 C ATOM 515 C VAL A 33 16.609 -5.891 5.251 1.00 0.00 C ATOM 516 O VAL A 33 16.375 -7.045 4.914 1.00 0.00 O ATOM 517 CB VAL A 33 14.566 -4.935 6.368 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.962 -4.459 7.680 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.420 -3.868 5.294 1.00 0.00 C ATOM 0 H VAL A 33 16.578 -3.327 6.796 1.00 0.00 H new ATOM 0 HA VAL A 33 16.077 -6.132 7.320 1.00 0.00 H new ATOM 0 HB VAL A 33 14.021 -5.818 6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.922 -4.175 7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.010 -5.262 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.521 -3.598 8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.368 -3.605 5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.987 -2.983 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.800 -4.251 4.347 1.00 0.00 H new ATOM 529 N ALA A 34 17.373 -5.069 4.526 1.00 0.00 N ATOM 530 CA ALA A 34 17.946 -5.473 3.236 1.00 0.00 C ATOM 531 C ALA A 34 18.868 -6.669 3.401 1.00 0.00 C ATOM 532 O ALA A 34 19.131 -7.405 2.449 1.00 0.00 O ATOM 533 CB ALA A 34 18.699 -4.320 2.590 1.00 0.00 C ATOM 0 H ALA A 34 17.610 -4.118 4.810 1.00 0.00 H new ATOM 0 HA ALA A 34 17.121 -5.758 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.114 -4.645 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.016 -3.487 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.508 -4.000 3.247 1.00 0.00 H new ATOM 539 N SER A 35 19.351 -6.843 4.620 1.00 0.00 N ATOM 540 CA SER A 35 20.154 -7.992 4.992 1.00 0.00 C ATOM 541 C SER A 35 19.402 -9.296 4.696 1.00 0.00 C ATOM 542 O SER A 35 20.004 -10.315 4.350 1.00 0.00 O ATOM 543 CB SER A 35 20.518 -7.881 6.481 1.00 0.00 C ATOM 544 OG SER A 35 21.165 -9.046 6.958 1.00 0.00 O ATOM 0 H SER A 35 19.195 -6.185 5.384 1.00 0.00 H new ATOM 0 HA SER A 35 21.070 -8.008 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 35 21.167 -7.018 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 35 19.613 -7.705 7.063 1.00 0.00 H new ATOM 0 HG SER A 35 21.381 -8.935 7.907 1.00 0.00 H new ATOM 550 N GLU A 36 18.080 -9.246 4.813 1.00 0.00 N ATOM 551 CA GLU A 36 17.233 -10.398 4.553 1.00 0.00 C ATOM 552 C GLU A 36 16.258 -10.110 3.415 1.00 0.00 C ATOM 553 O GLU A 36 15.254 -10.806 3.262 1.00 0.00 O ATOM 554 CB GLU A 36 16.441 -10.737 5.814 1.00 0.00 C ATOM 555 CG GLU A 36 17.196 -10.439 7.093 1.00 0.00 C ATOM 556 CD GLU A 36 16.427 -10.825 8.339 1.00 0.00 C ATOM 557 OE1 GLU A 36 16.279 -12.035 8.612 1.00 0.00 O ATOM 558 OE2 GLU A 36 15.982 -9.913 9.067 1.00 0.00 O ATOM 0 H GLU A 36 17.569 -8.408 5.090 1.00 0.00 H new ATOM 0 HA GLU A 36 17.868 -11.237 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.508 -10.174 5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.175 -11.794 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.146 -10.972 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.428 -9.375 7.131 1.00 0.00 H new ATOM 565 N TYR A 37 16.557 -9.097 2.608 1.00 0.00 N ATOM 566 CA TYR A 37 15.639 -8.677 1.554 1.00 0.00 C ATOM 567 C TYR A 37 16.317 -8.609 0.188 1.00 0.00 C ATOM 568 O TYR A 37 17.538 -8.689 0.082 1.00 0.00 O ATOM 569 CB TYR A 37 15.008 -7.327 1.893 1.00 0.00 C ATOM 570 CG TYR A 37 13.753 -7.440 2.729 1.00 0.00 C ATOM 571 CD1 TYR A 37 13.775 -8.023 3.989 1.00 0.00 C ATOM 572 CD2 TYR A 37 12.542 -6.965 2.251 1.00 0.00 C ATOM 573 CE1 TYR A 37 12.628 -8.132 4.746 1.00 0.00 C ATOM 574 CE2 TYR A 37 11.391 -7.068 3.002 1.00 0.00 C ATOM 575 CZ TYR A 37 11.439 -7.652 4.248 1.00 0.00 C ATOM 576 OH TYR A 37 10.293 -7.757 5.000 1.00 0.00 O ATOM 0 H TYR A 37 17.420 -8.556 2.662 1.00 0.00 H new ATOM 0 HA TYR A 37 14.858 -9.435 1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.737 -6.718 2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.772 -6.802 0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.708 -8.398 4.383 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.500 -6.507 1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.663 -8.591 5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.455 -6.692 2.615 1.00 0.00 H new ATOM 0 HH TYR A 37 10.109 -6.899 5.437 1.00 0.00 H new ATOM 586 N THR A 38 15.502 -8.466 -0.850 1.00 0.00 N ATOM 587 CA THR A 38 15.975 -8.439 -2.226 1.00 0.00 C ATOM 588 C THR A 38 15.125 -7.493 -3.082 1.00 0.00 C ATOM 589 O THR A 38 13.893 -7.551 -3.045 1.00 0.00 O ATOM 590 CB THR A 38 15.934 -9.858 -2.837 1.00 0.00 C ATOM 591 OG1 THR A 38 16.809 -10.726 -2.104 1.00 0.00 O ATOM 592 CG2 THR A 38 16.342 -9.848 -4.304 1.00 0.00 C ATOM 0 H THR A 38 14.491 -8.365 -0.759 1.00 0.00 H new ATOM 0 HA THR A 38 17.003 -8.076 -2.217 1.00 0.00 H new ATOM 0 HB THR A 38 14.908 -10.220 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.779 -11.625 -2.493 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.301 -10.863 -4.700 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.660 -9.211 -4.867 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.357 -9.463 -4.397 1.00 0.00 H new ATOM 600 N LYS A 39 15.784 -6.616 -3.837 1.00 0.00 N ATOM 601 CA LYS A 39 15.093 -5.719 -4.755 1.00 0.00 C ATOM 602 C LYS A 39 14.649 -6.486 -5.995 1.00 0.00 C ATOM 603 O LYS A 39 15.481 -6.931 -6.785 1.00 0.00 O ATOM 604 CB LYS A 39 16.008 -4.563 -5.169 1.00 0.00 C ATOM 605 CG LYS A 39 15.276 -3.390 -5.804 1.00 0.00 C ATOM 606 CD LYS A 39 16.248 -2.295 -6.218 1.00 0.00 C ATOM 607 CE LYS A 39 15.558 -0.946 -6.352 1.00 0.00 C ATOM 608 NZ LYS A 39 14.498 -0.946 -7.398 1.00 0.00 N ATOM 0 H LYS A 39 16.798 -6.509 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 39 14.219 -5.312 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.548 -4.208 -4.291 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.753 -4.937 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.719 -3.734 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.549 -2.987 -5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.048 -2.222 -5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.712 -2.561 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.118 -0.671 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.300 -0.185 -6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.981 -0.044 -7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.934 -1.064 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.837 -1.730 -7.223 1.00 0.00 H new ATOM 622 N ILE A 40 13.343 -6.648 -6.157 1.00 0.00 N ATOM 623 CA ILE A 40 12.807 -7.388 -7.294 1.00 0.00 C ATOM 624 C ILE A 40 12.517 -6.469 -8.471 1.00 0.00 C ATOM 625 O ILE A 40 12.354 -6.927 -9.598 1.00 0.00 O ATOM 626 CB ILE A 40 11.533 -8.171 -6.923 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.522 -7.261 -6.219 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.896 -9.356 -6.047 1.00 0.00 C ATOM 629 CD1 ILE A 40 9.228 -7.955 -5.857 1.00 0.00 C ATOM 0 H ILE A 40 12.637 -6.279 -5.520 1.00 0.00 H new ATOM 0 HA ILE A 40 13.577 -8.102 -7.586 1.00 0.00 H new ATOM 0 HB ILE A 40 11.067 -8.540 -7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.976 -6.862 -5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.300 -6.411 -6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.992 -9.907 -5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.578 -10.012 -6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.379 -9.001 -5.137 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.562 -7.248 -5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.751 -8.330 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.437 -8.788 -5.185 1.00 0.00 H new ATOM 641 N GLY A 41 12.462 -5.172 -8.206 1.00 0.00 N ATOM 642 CA GLY A 41 12.231 -4.215 -9.265 1.00 0.00 C ATOM 643 C GLY A 41 11.552 -2.962 -8.767 1.00 0.00 C ATOM 644 O GLY A 41 11.303 -2.813 -7.564 1.00 0.00 O ATOM 0 H GLY A 41 12.573 -4.767 -7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.182 -3.951 -9.727 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.617 -4.675 -10.040 1.00 0.00 H new ATOM 648 N THR A 42 11.294 -2.050 -9.682 1.00 0.00 N ATOM 649 CA THR A 42 10.586 -0.822 -9.375 1.00 0.00 C ATOM 650 C THR A 42 9.170 -0.873 -9.941 1.00 0.00 C ATOM 651 O THR A 42 8.903 -1.575 -10.922 1.00 0.00 O ATOM 652 CB THR A 42 11.323 0.394 -9.968 1.00 0.00 C ATOM 653 OG1 THR A 42 12.738 0.251 -9.772 1.00 0.00 O ATOM 654 CG2 THR A 42 10.859 1.689 -9.319 1.00 0.00 C ATOM 0 H THR A 42 11.569 -2.138 -10.660 1.00 0.00 H new ATOM 0 HA THR A 42 10.543 -0.720 -8.291 1.00 0.00 H new ATOM 0 HB THR A 42 11.096 0.436 -11.033 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.998 0.688 -8.934 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.397 2.529 -9.758 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.789 1.816 -9.485 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.058 1.651 -8.248 1.00 0.00 H new ATOM 662 N ILE A 43 8.270 -0.133 -9.325 1.00 0.00 N ATOM 663 CA ILE A 43 6.913 0.009 -9.827 1.00 0.00 C ATOM 664 C ILE A 43 6.568 1.485 -9.902 1.00 0.00 C ATOM 665 O ILE A 43 7.234 2.311 -9.278 1.00 0.00 O ATOM 666 CB ILE A 43 5.871 -0.708 -8.935 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.886 -0.126 -7.522 1.00 0.00 C ATOM 668 CG2 ILE A 43 6.131 -2.206 -8.900 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.898 -0.779 -6.583 1.00 0.00 C ATOM 0 H ILE A 43 8.455 0.386 -8.466 1.00 0.00 H new ATOM 0 HA ILE A 43 6.876 -0.456 -10.812 1.00 0.00 H new ATOM 0 HB ILE A 43 4.883 -0.545 -9.365 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.889 -0.228 -7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.671 0.941 -7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.387 -2.690 -8.267 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.066 -2.610 -9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.126 -2.393 -8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.967 -0.313 -5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.888 -0.654 -6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.125 -1.842 -6.497 1.00 0.00 H new ATOM 681 N SER A 44 5.529 1.816 -10.640 1.00 0.00 N ATOM 682 CA SER A 44 5.139 3.201 -10.812 1.00 0.00 C ATOM 683 C SER A 44 3.645 3.297 -11.078 1.00 0.00 C ATOM 684 O SER A 44 2.962 2.279 -11.201 1.00 0.00 O ATOM 685 CB SER A 44 5.934 3.829 -11.962 1.00 0.00 C ATOM 686 OG SER A 44 5.716 5.228 -12.044 1.00 0.00 O ATOM 0 H SER A 44 4.938 1.145 -11.131 1.00 0.00 H new ATOM 0 HA SER A 44 5.360 3.749 -9.896 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.997 3.633 -11.820 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.647 3.360 -12.903 1.00 0.00 H new ATOM 0 HG SER A 44 6.353 5.622 -12.676 1.00 0.00 H new ATOM 692 N THR A 45 3.147 4.520 -11.153 1.00 0.00 N ATOM 693 CA THR A 45 1.740 4.760 -11.413 1.00 0.00 C ATOM 694 C THR A 45 1.525 5.169 -12.869 1.00 0.00 C ATOM 695 O THR A 45 2.327 5.910 -13.447 1.00 0.00 O ATOM 696 CB THR A 45 1.175 5.841 -10.472 1.00 0.00 C ATOM 697 OG1 THR A 45 2.107 6.925 -10.344 1.00 0.00 O ATOM 698 CG2 THR A 45 0.877 5.257 -9.100 1.00 0.00 C ATOM 0 H THR A 45 3.703 5.367 -11.036 1.00 0.00 H new ATOM 0 HA THR A 45 1.205 3.829 -11.224 1.00 0.00 H new ATOM 0 HB THR A 45 0.246 6.215 -10.903 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.861 6.644 -9.784 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.479 6.037 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.144 4.456 -9.197 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.794 4.858 -8.667 1.00 0.00 H new ATOM 706 N THR A 46 0.459 4.666 -13.465 1.00 0.00 N ATOM 707 CA THR A 46 0.151 4.969 -14.849 1.00 0.00 C ATOM 708 C THR A 46 -1.232 5.593 -14.965 1.00 0.00 C ATOM 709 O THR A 46 -2.251 4.928 -14.776 1.00 0.00 O ATOM 710 CB THR A 46 0.215 3.711 -15.725 1.00 0.00 C ATOM 711 OG1 THR A 46 1.421 2.980 -15.447 1.00 0.00 O ATOM 712 CG2 THR A 46 0.170 4.079 -17.200 1.00 0.00 C ATOM 0 H THR A 46 -0.209 4.044 -13.010 1.00 0.00 H new ATOM 0 HA THR A 46 0.901 5.678 -15.201 1.00 0.00 H new ATOM 0 HB THR A 46 -0.649 3.088 -15.494 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.454 2.178 -16.009 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.217 3.172 -17.803 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.757 4.610 -17.414 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.019 4.719 -17.441 1.00 0.00 H new ATOM 720 N GLY A 47 -1.253 6.879 -15.249 1.00 0.00 N ATOM 721 CA GLY A 47 -2.493 7.594 -15.406 1.00 0.00 C ATOM 722 C GLY A 47 -2.413 8.959 -14.773 1.00 0.00 C ATOM 723 O GLY A 47 -1.669 9.825 -15.238 1.00 0.00 O ATOM 0 H GLY A 47 -0.417 7.449 -15.376 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.728 7.694 -16.466 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.305 7.026 -14.952 1.00 0.00 H new ATOM 727 N GLU A 48 -3.165 9.135 -13.699 1.00 0.00 N ATOM 728 CA GLU A 48 -3.164 10.376 -12.927 1.00 0.00 C ATOM 729 C GLU A 48 -4.131 10.282 -11.746 1.00 0.00 C ATOM 730 O GLU A 48 -5.350 10.392 -11.904 1.00 0.00 O ATOM 731 CB GLU A 48 -3.497 11.589 -13.812 1.00 0.00 C ATOM 732 CG GLU A 48 -4.787 11.456 -14.603 1.00 0.00 C ATOM 733 CD GLU A 48 -4.937 12.538 -15.648 1.00 0.00 C ATOM 734 OE1 GLU A 48 -5.092 13.718 -15.273 1.00 0.00 O ATOM 735 OE2 GLU A 48 -4.881 12.216 -16.854 1.00 0.00 O ATOM 0 H GLU A 48 -3.796 8.422 -13.333 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.157 10.520 -12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.562 12.476 -13.182 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.674 11.752 -14.508 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.814 10.480 -15.088 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.635 11.495 -13.919 1.00 0.00 H new ATOM 742 N MET A 49 -3.581 10.056 -10.566 1.00 0.00 N ATOM 743 CA MET A 49 -4.379 9.953 -9.353 1.00 0.00 C ATOM 744 C MET A 49 -3.761 10.800 -8.260 1.00 0.00 C ATOM 745 O MET A 49 -2.606 11.211 -8.367 1.00 0.00 O ATOM 746 CB MET A 49 -4.479 8.500 -8.874 1.00 0.00 C ATOM 747 CG MET A 49 -5.230 7.581 -9.824 1.00 0.00 C ATOM 748 SD MET A 49 -6.947 8.079 -10.065 1.00 0.00 S ATOM 749 CE MET A 49 -7.523 6.778 -11.157 1.00 0.00 C ATOM 0 H MET A 49 -2.578 9.939 -10.420 1.00 0.00 H new ATOM 0 HA MET A 49 -5.383 10.311 -9.579 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.473 8.108 -8.727 1.00 0.00 H new ATOM 0 HB3 MET A 49 -4.973 8.483 -7.903 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.721 7.568 -10.788 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.203 6.563 -9.435 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.573 6.944 -11.399 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.933 6.785 -12.074 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.414 5.813 -10.662 1.00 0.00 H new ATOM 759 N SER A 50 -4.533 11.062 -7.220 1.00 0.00 N ATOM 760 CA SER A 50 -4.049 11.816 -6.076 1.00 0.00 C ATOM 761 C SER A 50 -2.987 11.014 -5.316 1.00 0.00 C ATOM 762 O SER A 50 -2.980 9.784 -5.380 1.00 0.00 O ATOM 763 CB SER A 50 -5.233 12.173 -5.179 1.00 0.00 C ATOM 764 OG SER A 50 -6.281 11.226 -5.331 1.00 0.00 O ATOM 0 H SER A 50 -5.505 10.761 -7.144 1.00 0.00 H new ATOM 0 HA SER A 50 -3.576 12.738 -6.413 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.911 12.203 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.597 13.169 -5.429 1.00 0.00 H new ATOM 0 HG SER A 50 -6.415 10.748 -4.486 1.00 0.00 H new ATOM 770 N PRO A 51 -2.075 11.698 -4.592 1.00 0.00 N ATOM 771 CA PRO A 51 -0.908 11.072 -3.953 1.00 0.00 C ATOM 772 C PRO A 51 -1.235 9.803 -3.168 1.00 0.00 C ATOM 773 O PRO A 51 -0.667 8.746 -3.434 1.00 0.00 O ATOM 774 CB PRO A 51 -0.367 12.162 -3.010 1.00 0.00 C ATOM 775 CG PRO A 51 -1.383 13.255 -3.025 1.00 0.00 C ATOM 776 CD PRO A 51 -2.099 13.143 -4.338 1.00 0.00 C ATOM 0 HA PRO A 51 -0.193 10.742 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.227 11.772 -2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.603 12.526 -3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.079 13.151 -2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.907 14.230 -2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.117 13.528 -4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.593 13.702 -5.125 1.00 0.00 H new ATOM 784 N LEU A 52 -2.162 9.894 -2.223 1.00 0.00 N ATOM 785 CA LEU A 52 -2.485 8.760 -1.359 1.00 0.00 C ATOM 786 C LEU A 52 -3.160 7.641 -2.145 1.00 0.00 C ATOM 787 O LEU A 52 -2.980 6.462 -1.838 1.00 0.00 O ATOM 788 CB LEU A 52 -3.376 9.187 -0.183 1.00 0.00 C ATOM 789 CG LEU A 52 -2.689 10.014 0.915 1.00 0.00 C ATOM 790 CD1 LEU A 52 -2.356 11.415 0.422 1.00 0.00 C ATOM 791 CD2 LEU A 52 -3.572 10.083 2.151 1.00 0.00 C ATOM 0 H LEU A 52 -2.703 10.737 -2.034 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.543 8.384 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.212 9.765 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.796 8.291 0.274 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.753 9.519 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.871 11.976 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.685 11.349 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.273 11.924 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.074 10.672 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.522 10.551 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.754 9.075 2.525 1.00 0.00 H new ATOM 803 N ASP A 53 -3.921 8.010 -3.164 1.00 0.00 N ATOM 804 CA ASP A 53 -4.600 7.030 -4.006 1.00 0.00 C ATOM 805 C ASP A 53 -3.588 6.316 -4.891 1.00 0.00 C ATOM 806 O ASP A 53 -3.671 5.106 -5.104 1.00 0.00 O ATOM 807 CB ASP A 53 -5.668 7.704 -4.871 1.00 0.00 C ATOM 808 CG ASP A 53 -6.754 8.359 -4.044 1.00 0.00 C ATOM 809 OD1 ASP A 53 -6.495 9.435 -3.459 1.00 0.00 O ATOM 810 OD2 ASP A 53 -7.877 7.813 -3.985 1.00 0.00 O ATOM 0 H ASP A 53 -4.086 8.981 -3.430 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.090 6.301 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.197 8.454 -5.506 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.116 6.963 -5.532 1.00 0.00 H new ATOM 815 N ALA A 54 -2.619 7.079 -5.386 1.00 0.00 N ATOM 816 CA ALA A 54 -1.532 6.530 -6.183 1.00 0.00 C ATOM 817 C ALA A 54 -0.678 5.596 -5.335 1.00 0.00 C ATOM 818 O ALA A 54 -0.130 4.614 -5.831 1.00 0.00 O ATOM 819 CB ALA A 54 -0.682 7.650 -6.770 1.00 0.00 C ATOM 0 H ALA A 54 -2.566 8.088 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.958 5.958 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.126 7.221 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.302 8.283 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.261 8.249 -5.962 1.00 0.00 H new ATOM 825 N ARG A 55 -0.579 5.910 -4.047 1.00 0.00 N ATOM 826 CA ARG A 55 0.126 5.063 -3.100 1.00 0.00 C ATOM 827 C ARG A 55 -0.549 3.703 -3.028 1.00 0.00 C ATOM 828 O ARG A 55 0.108 2.671 -3.117 1.00 0.00 O ATOM 829 CB ARG A 55 0.137 5.714 -1.715 1.00 0.00 C ATOM 830 CG ARG A 55 0.938 7.003 -1.641 1.00 0.00 C ATOM 831 CD ARG A 55 0.833 7.632 -0.264 1.00 0.00 C ATOM 832 NE ARG A 55 1.340 9.006 -0.236 1.00 0.00 N ATOM 833 CZ ARG A 55 1.272 9.801 0.832 1.00 0.00 C ATOM 834 NH1 ARG A 55 0.748 9.358 1.966 1.00 0.00 N ATOM 835 NH2 ARG A 55 1.729 11.043 0.768 1.00 0.00 N ATOM 0 H ARG A 55 -0.982 6.752 -3.636 1.00 0.00 H new ATOM 0 HA ARG A 55 1.155 4.936 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.890 5.920 -1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.544 5.004 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.983 6.799 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.576 7.704 -2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.209 7.626 0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.390 7.028 0.452 1.00 0.00 H new ATOM 0 HE ARG A 55 1.770 9.376 -1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.394 8.403 2.025 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.699 9.972 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.134 11.393 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.676 11.649 1.587 1.00 0.00 H new ATOM 849 N GLU A 56 -1.870 3.721 -2.897 1.00 0.00 N ATOM 850 CA GLU A 56 -2.659 2.497 -2.822 1.00 0.00 C ATOM 851 C GLU A 56 -2.428 1.620 -4.049 1.00 0.00 C ATOM 852 O GLU A 56 -2.309 0.402 -3.931 1.00 0.00 O ATOM 853 CB GLU A 56 -4.146 2.826 -2.697 1.00 0.00 C ATOM 854 CG GLU A 56 -4.497 3.638 -1.461 1.00 0.00 C ATOM 855 CD GLU A 56 -4.176 2.913 -0.171 1.00 0.00 C ATOM 856 OE1 GLU A 56 -4.887 1.944 0.165 1.00 0.00 O ATOM 857 OE2 GLU A 56 -3.216 3.311 0.520 1.00 0.00 O ATOM 0 H GLU A 56 -2.421 4.577 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.338 1.948 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.462 3.377 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.714 1.896 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.954 4.583 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.559 3.881 -1.481 1.00 0.00 H new ATOM 864 N ASP A 57 -2.342 2.249 -5.220 1.00 0.00 N ATOM 865 CA ASP A 57 -2.110 1.524 -6.467 1.00 0.00 C ATOM 866 C ASP A 57 -0.759 0.832 -6.414 1.00 0.00 C ATOM 867 O ASP A 57 -0.621 -0.335 -6.775 1.00 0.00 O ATOM 868 CB ASP A 57 -2.163 2.479 -7.666 1.00 0.00 C ATOM 869 CG ASP A 57 -1.842 1.792 -8.986 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.750 1.173 -9.578 1.00 0.00 O ATOM 871 OD2 ASP A 57 -0.686 1.893 -9.455 1.00 0.00 O ATOM 0 H ASP A 57 -2.430 3.259 -5.331 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.894 0.777 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.156 2.924 -7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.458 3.294 -7.506 1.00 0.00 H new ATOM 876 N LEU A 58 0.227 1.563 -5.923 1.00 0.00 N ATOM 877 CA LEU A 58 1.582 1.055 -5.779 1.00 0.00 C ATOM 878 C LEU A 58 1.631 -0.095 -4.778 1.00 0.00 C ATOM 879 O LEU A 58 2.167 -1.166 -5.063 1.00 0.00 O ATOM 880 CB LEU A 58 2.494 2.189 -5.313 1.00 0.00 C ATOM 881 CG LEU A 58 2.730 3.298 -6.336 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.546 4.426 -5.721 1.00 0.00 C ATOM 883 CD2 LEU A 58 3.432 2.743 -7.567 1.00 0.00 C ATOM 0 H LEU A 58 0.111 2.528 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 58 1.921 0.677 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.066 2.632 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.458 1.766 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 58 1.763 3.699 -6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.705 5.207 -6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.009 4.840 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.510 4.039 -5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.593 3.546 -8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.393 2.317 -7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.814 1.968 -8.020 1.00 0.00 H new ATOM 895 N ILE A 59 1.042 0.139 -3.616 1.00 0.00 N ATOM 896 CA ILE A 59 1.069 -0.813 -2.514 1.00 0.00 C ATOM 897 C ILE A 59 0.394 -2.127 -2.901 1.00 0.00 C ATOM 898 O ILE A 59 0.946 -3.202 -2.674 1.00 0.00 O ATOM 899 CB ILE A 59 0.382 -0.216 -1.262 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.128 1.045 -0.809 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.328 -1.236 -0.130 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.290 1.985 0.036 1.00 0.00 C ATOM 0 H ILE A 59 0.530 0.997 -3.409 1.00 0.00 H new ATOM 0 HA ILE A 59 2.114 -1.020 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.642 0.050 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.009 0.749 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.482 1.582 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.159 -0.791 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.236 -2.110 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.341 -1.537 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.888 2.852 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.578 2.312 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.043 1.467 0.935 1.00 0.00 H new ATOM 914 N LYS A 60 -0.781 -2.036 -3.510 1.00 0.00 N ATOM 915 CA LYS A 60 -1.550 -3.223 -3.871 1.00 0.00 C ATOM 916 C LYS A 60 -0.923 -3.955 -5.056 1.00 0.00 C ATOM 917 O LYS A 60 -0.962 -5.182 -5.125 1.00 0.00 O ATOM 918 CB LYS A 60 -2.996 -2.835 -4.182 1.00 0.00 C ATOM 919 CG LYS A 60 -3.693 -2.169 -3.009 1.00 0.00 C ATOM 920 CD LYS A 60 -5.058 -1.618 -3.386 1.00 0.00 C ATOM 921 CE LYS A 60 -5.650 -0.810 -2.243 1.00 0.00 C ATOM 922 NZ LYS A 60 -5.906 -1.648 -1.042 1.00 0.00 N ATOM 0 H LYS A 60 -1.224 -1.153 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.540 -3.905 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.010 -2.160 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.552 -3.727 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.806 -2.890 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.069 -1.360 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.969 -0.990 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.728 -2.439 -3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.969 0.000 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.583 -0.350 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.432 -1.093 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.465 -2.482 -1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.000 -1.956 -0.634 1.00 0.00 H new ATOM 936 N LYS A 61 -0.345 -3.202 -5.982 1.00 0.00 N ATOM 937 CA LYS A 61 0.319 -3.785 -7.137 1.00 0.00 C ATOM 938 C LYS A 61 1.570 -4.545 -6.712 1.00 0.00 C ATOM 939 O LYS A 61 1.850 -5.633 -7.218 1.00 0.00 O ATOM 940 CB LYS A 61 0.669 -2.678 -8.122 1.00 0.00 C ATOM 941 CG LYS A 61 0.313 -3.016 -9.550 1.00 0.00 C ATOM 942 CD LYS A 61 0.074 -1.763 -10.375 1.00 0.00 C ATOM 943 CE LYS A 61 1.247 -0.798 -10.296 1.00 0.00 C ATOM 944 NZ LYS A 61 0.959 0.470 -11.012 1.00 0.00 N ATOM 0 H LYS A 61 -0.323 -2.183 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.352 -4.496 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.150 -1.765 -7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.737 -2.470 -8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.117 -3.600 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.581 -3.639 -9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.098 -2.041 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.830 -1.265 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.473 -0.584 -9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.133 -1.266 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.822 1.048 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.636 0.258 -11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.217 0.994 -10.506 1.00 0.00 H new ATOM 958 N ALA A 62 2.318 -3.961 -5.785 1.00 0.00 N ATOM 959 CA ALA A 62 3.465 -4.635 -5.190 1.00 0.00 C ATOM 960 C ALA A 62 3.009 -5.836 -4.370 1.00 0.00 C ATOM 961 O ALA A 62 3.660 -6.879 -4.358 1.00 0.00 O ATOM 962 CB ALA A 62 4.256 -3.668 -4.324 1.00 0.00 C ATOM 0 H ALA A 62 2.151 -3.020 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 62 4.113 -4.991 -5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.109 -4.186 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.610 -2.838 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.617 -3.286 -3.528 1.00 0.00 H new ATOM 968 N ASP A 63 1.882 -5.675 -3.687 1.00 0.00 N ATOM 969 CA ASP A 63 1.268 -6.755 -2.919 1.00 0.00 C ATOM 970 C ASP A 63 0.907 -7.927 -3.829 1.00 0.00 C ATOM 971 O ASP A 63 1.136 -9.088 -3.488 1.00 0.00 O ATOM 972 CB ASP A 63 0.022 -6.232 -2.198 1.00 0.00 C ATOM 973 CG ASP A 63 -0.794 -7.330 -1.549 1.00 0.00 C ATOM 974 OD1 ASP A 63 -0.451 -7.753 -0.427 1.00 0.00 O ATOM 975 OD2 ASP A 63 -1.797 -7.763 -2.156 1.00 0.00 O ATOM 0 H ASP A 63 1.368 -4.795 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 63 1.984 -7.112 -2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.325 -5.514 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.604 -5.695 -2.911 1.00 0.00 H new ATOM 980 N GLU A 64 0.355 -7.609 -4.994 1.00 0.00 N ATOM 981 CA GLU A 64 0.022 -8.601 -6.006 1.00 0.00 C ATOM 982 C GLU A 64 1.260 -9.371 -6.450 1.00 0.00 C ATOM 983 O GLU A 64 1.205 -10.580 -6.692 1.00 0.00 O ATOM 984 CB GLU A 64 -0.607 -7.906 -7.211 1.00 0.00 C ATOM 985 CG GLU A 64 -1.968 -8.444 -7.560 1.00 0.00 C ATOM 986 CD GLU A 64 -2.467 -7.961 -8.904 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.132 -6.907 -8.953 1.00 0.00 O ATOM 988 OE2 GLU A 64 -2.206 -8.639 -9.921 1.00 0.00 O ATOM 0 H GLU A 64 0.125 -6.652 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.684 -9.310 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.687 -6.838 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.052 -8.017 -8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.933 -9.533 -7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.678 -8.149 -6.787 1.00 0.00 H new ATOM 995 N LYS A 65 2.373 -8.659 -6.551 1.00 0.00 N ATOM 996 CA LYS A 65 3.625 -9.250 -7.000 1.00 0.00 C ATOM 997 C LYS A 65 4.293 -10.017 -5.861 1.00 0.00 C ATOM 998 O LYS A 65 5.082 -10.937 -6.095 1.00 0.00 O ATOM 999 CB LYS A 65 4.558 -8.156 -7.542 1.00 0.00 C ATOM 1000 CG LYS A 65 5.787 -8.689 -8.267 1.00 0.00 C ATOM 1001 CD LYS A 65 5.408 -9.650 -9.385 1.00 0.00 C ATOM 1002 CE LYS A 65 4.418 -9.031 -10.361 1.00 0.00 C ATOM 1003 NZ LYS A 65 4.010 -9.990 -11.420 1.00 0.00 N ATOM 0 H LYS A 65 2.434 -7.666 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 65 3.414 -9.955 -7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.995 -7.519 -8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.883 -7.527 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.356 -7.856 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.438 -9.197 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.307 -9.952 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.976 -10.553 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.536 -8.693 -9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.865 -8.150 -10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.336 -9.530 -12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.848 -10.293 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.560 -10.819 -10.983 1.00 0.00 H new ATOM 1017 N GLY A 66 3.952 -9.648 -4.635 1.00 0.00 N ATOM 1018 CA GLY A 66 4.494 -10.329 -3.481 1.00 0.00 C ATOM 1019 C GLY A 66 5.696 -9.622 -2.895 1.00 0.00 C ATOM 1020 O GLY A 66 6.702 -10.255 -2.573 1.00 0.00 O ATOM 0 H GLY A 66 3.308 -8.887 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.720 -10.414 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.776 -11.343 -3.763 1.00 0.00 H new ATOM 1024 N ALA A 67 5.598 -8.307 -2.774 1.00 0.00 N ATOM 1025 CA ALA A 67 6.645 -7.516 -2.145 1.00 0.00 C ATOM 1026 C ALA A 67 6.400 -7.407 -0.645 1.00 0.00 C ATOM 1027 O ALA A 67 5.273 -7.178 -0.211 1.00 0.00 O ATOM 1028 CB ALA A 67 6.716 -6.132 -2.768 1.00 0.00 C ATOM 0 H ALA A 67 4.801 -7.763 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 67 7.599 -8.018 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.505 -5.555 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.933 -6.223 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.761 -5.624 -2.635 1.00 0.00 H new ATOM 1034 N ASP A 68 7.458 -7.578 0.133 1.00 0.00 N ATOM 1035 CA ASP A 68 7.369 -7.517 1.586 1.00 0.00 C ATOM 1036 C ASP A 68 7.450 -6.072 2.057 1.00 0.00 C ATOM 1037 O ASP A 68 6.708 -5.641 2.936 1.00 0.00 O ATOM 1038 CB ASP A 68 8.501 -8.326 2.229 1.00 0.00 C ATOM 1039 CG ASP A 68 8.404 -9.816 1.972 1.00 0.00 C ATOM 1040 OD1 ASP A 68 8.684 -10.252 0.840 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.095 -10.565 2.921 1.00 0.00 O ATOM 0 H ASP A 68 8.397 -7.762 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 68 6.412 -7.943 1.887 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.456 -7.962 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.496 -8.150 3.305 1.00 0.00 H new ATOM 1046 N VAL A 69 8.374 -5.328 1.479 1.00 0.00 N ATOM 1047 CA VAL A 69 8.540 -3.922 1.815 1.00 0.00 C ATOM 1048 C VAL A 69 8.486 -3.076 0.553 1.00 0.00 C ATOM 1049 O VAL A 69 9.014 -3.466 -0.488 1.00 0.00 O ATOM 1050 CB VAL A 69 9.868 -3.665 2.567 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.160 -2.177 2.677 1.00 0.00 C ATOM 1052 CG2 VAL A 69 9.827 -4.292 3.954 1.00 0.00 C ATOM 0 H VAL A 69 9.024 -5.673 0.772 1.00 0.00 H new ATOM 0 HA VAL A 69 7.722 -3.641 2.479 1.00 0.00 H new ATOM 0 HB VAL A 69 10.669 -4.129 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.099 -2.029 3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.238 -1.747 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.353 -1.687 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.769 -4.101 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.007 -3.857 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.675 -5.368 3.863 1.00 0.00 H new ATOM 1062 N VAL A 70 7.834 -1.929 0.643 1.00 0.00 N ATOM 1063 CA VAL A 70 7.759 -1.020 -0.481 1.00 0.00 C ATOM 1064 C VAL A 70 8.309 0.344 -0.076 1.00 0.00 C ATOM 1065 O VAL A 70 8.129 0.785 1.062 1.00 0.00 O ATOM 1066 CB VAL A 70 6.307 -0.871 -1.002 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.759 -2.213 -1.461 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.392 -0.269 0.052 1.00 0.00 C ATOM 0 H VAL A 70 7.351 -1.608 1.482 1.00 0.00 H new ATOM 0 HA VAL A 70 8.360 -1.435 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 70 6.337 -0.190 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.739 -2.085 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.382 -2.605 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.762 -2.913 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.383 -0.180 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.377 -0.913 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.759 0.718 0.332 1.00 0.00 H new ATOM 1078 N VAL A 71 8.996 1.000 -0.994 1.00 0.00 N ATOM 1079 CA VAL A 71 9.555 2.318 -0.727 1.00 0.00 C ATOM 1080 C VAL A 71 9.019 3.323 -1.733 1.00 0.00 C ATOM 1081 O VAL A 71 9.366 3.277 -2.913 1.00 0.00 O ATOM 1082 CB VAL A 71 11.100 2.316 -0.778 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.652 3.714 -0.541 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.667 1.348 0.247 1.00 0.00 C ATOM 0 H VAL A 71 9.182 0.644 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 71 9.253 2.599 0.282 1.00 0.00 H new ATOM 0 HB VAL A 71 11.404 1.990 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.741 3.687 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.277 4.389 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.334 4.069 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.756 1.361 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.347 1.647 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.305 0.342 0.036 1.00 0.00 H new ATOM 1094 N LEU A 72 8.163 4.219 -1.264 1.00 0.00 N ATOM 1095 CA LEU A 72 7.529 5.203 -2.130 1.00 0.00 C ATOM 1096 C LEU A 72 8.501 6.329 -2.461 1.00 0.00 C ATOM 1097 O LEU A 72 8.531 7.362 -1.793 1.00 0.00 O ATOM 1098 CB LEU A 72 6.270 5.766 -1.462 1.00 0.00 C ATOM 1099 CG LEU A 72 5.241 4.723 -1.024 1.00 0.00 C ATOM 1100 CD1 LEU A 72 4.074 5.392 -0.317 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.750 3.913 -2.215 1.00 0.00 C ATOM 0 H LEU A 72 7.890 4.285 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 72 7.241 4.711 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.570 6.345 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.790 6.458 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 72 5.724 4.040 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.351 4.635 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.437 5.922 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.595 6.099 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.019 3.178 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.286 4.580 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.593 3.401 -2.679 1.00 0.00 H new ATOM 1113 N THR A 73 9.318 6.104 -3.474 1.00 0.00 N ATOM 1114 CA THR A 73 10.277 7.091 -3.916 1.00 0.00 C ATOM 1115 C THR A 73 9.587 8.207 -4.696 1.00 0.00 C ATOM 1116 O THR A 73 9.905 9.387 -4.522 1.00 0.00 O ATOM 1117 CB THR A 73 11.371 6.432 -4.780 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.793 5.419 -5.622 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.456 5.819 -3.907 1.00 0.00 C ATOM 0 H THR A 73 9.333 5.236 -4.009 1.00 0.00 H new ATOM 0 HA THR A 73 10.745 7.528 -3.034 1.00 0.00 H new ATOM 0 HB THR A 73 11.823 7.204 -5.403 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.429 4.682 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.216 5.360 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.914 6.597 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.017 5.060 -3.260 1.00 0.00 H new ATOM 1127 N SER A 74 8.612 7.817 -5.517 1.00 0.00 N ATOM 1128 CA SER A 74 7.892 8.739 -6.390 1.00 0.00 C ATOM 1129 C SER A 74 8.862 9.463 -7.319 1.00 0.00 C ATOM 1130 O SER A 74 9.998 9.018 -7.506 1.00 0.00 O ATOM 1131 CB SER A 74 7.072 9.734 -5.559 1.00 0.00 C ATOM 1132 OG SER A 74 6.164 9.046 -4.716 1.00 0.00 O ATOM 0 H SER A 74 8.300 6.849 -5.594 1.00 0.00 H new ATOM 0 HA SER A 74 7.200 8.167 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.739 10.352 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.525 10.406 -6.221 1.00 0.00 H new ATOM 0 HG SER A 74 5.650 9.694 -4.191 1.00 0.00 H new ATOM 1138 N GLY A 75 8.404 10.541 -7.939 1.00 0.00 N ATOM 1139 CA GLY A 75 9.289 11.344 -8.758 1.00 0.00 C ATOM 1140 C GLY A 75 10.361 12.029 -7.930 1.00 0.00 C ATOM 1141 O GLY A 75 11.337 11.402 -7.514 1.00 0.00 O ATOM 0 H GLY A 75 7.441 10.873 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.760 10.712 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.707 12.095 -9.292 1.00 0.00 H new ATOM 1145 N GLN A 76 10.190 13.316 -7.697 1.00 0.00 N ATOM 1146 CA GLN A 76 11.100 14.064 -6.842 1.00 0.00 C ATOM 1147 C GLN A 76 10.320 14.895 -5.835 1.00 0.00 C ATOM 1148 O GLN A 76 10.901 15.536 -4.957 1.00 0.00 O ATOM 1149 CB GLN A 76 12.008 14.964 -7.684 1.00 0.00 C ATOM 1150 CG GLN A 76 13.012 14.195 -8.530 1.00 0.00 C ATOM 1151 CD GLN A 76 13.819 15.089 -9.447 1.00 0.00 C ATOM 1152 OE1 GLN A 76 14.881 15.589 -9.073 1.00 0.00 O ATOM 1153 NE2 GLN A 76 13.328 15.292 -10.659 1.00 0.00 N ATOM 0 H GLN A 76 9.428 13.870 -8.088 1.00 0.00 H new ATOM 0 HA GLN A 76 11.723 13.354 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.390 15.579 -8.338 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.547 15.643 -7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.690 13.650 -7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.483 13.453 -9.128 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.445 14.860 -10.931 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.833 15.881 -11.322 1.00 0.00 H new ATOM 1162 N THR A 77 8.999 14.850 -5.953 1.00 0.00 N ATOM 1163 CA THR A 77 8.116 15.635 -5.131 1.00 0.00 C ATOM 1164 C THR A 77 6.671 15.378 -5.545 1.00 0.00 C ATOM 1165 O THR A 77 6.317 15.449 -6.726 1.00 0.00 O ATOM 1166 CB THR A 77 8.428 17.154 -5.207 1.00 0.00 C ATOM 1167 OG1 THR A 77 7.495 17.887 -4.403 1.00 0.00 O ATOM 1168 CG2 THR A 77 8.378 17.668 -6.638 1.00 0.00 C ATOM 0 H THR A 77 8.516 14.260 -6.630 1.00 0.00 H new ATOM 0 HA THR A 77 8.270 15.328 -4.097 1.00 0.00 H new ATOM 0 HB THR A 77 9.440 17.302 -4.829 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.700 18.844 -4.455 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.602 18.735 -6.649 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.114 17.136 -7.241 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.383 17.502 -7.050 1.00 0.00 H new ATOM 1176 N GLU A 78 5.866 15.029 -4.563 1.00 0.00 N ATOM 1177 CA GLU A 78 4.424 14.845 -4.735 1.00 0.00 C ATOM 1178 C GLU A 78 3.709 16.138 -5.138 1.00 0.00 C ATOM 1179 O GLU A 78 2.483 16.161 -5.247 1.00 0.00 O ATOM 1180 CB GLU A 78 3.822 14.306 -3.447 1.00 0.00 C ATOM 1181 CG GLU A 78 3.854 12.789 -3.348 1.00 0.00 C ATOM 1182 CD GLU A 78 3.694 12.284 -1.930 1.00 0.00 C ATOM 1183 OE1 GLU A 78 4.720 12.143 -1.226 1.00 0.00 O ATOM 1184 OE2 GLU A 78 2.552 12.018 -1.511 1.00 0.00 O ATOM 0 H GLU A 78 6.189 14.861 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 78 4.282 14.132 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.361 14.728 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.789 14.645 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.059 12.373 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.798 12.424 -3.753 1.00 0.00 H new ATOM 1191 N ASN A 79 4.475 17.206 -5.324 1.00 0.00 N ATOM 1192 CA ASN A 79 3.964 18.462 -5.866 1.00 0.00 C ATOM 1193 C ASN A 79 3.137 18.224 -7.128 1.00 0.00 C ATOM 1194 O ASN A 79 2.006 18.692 -7.234 1.00 0.00 O ATOM 1195 CB ASN A 79 5.132 19.395 -6.186 1.00 0.00 C ATOM 1196 CG ASN A 79 4.680 20.751 -6.688 1.00 0.00 C ATOM 1197 OD1 ASN A 79 4.509 20.959 -7.889 1.00 0.00 O ATOM 1198 ND2 ASN A 79 4.498 21.685 -5.773 1.00 0.00 N ATOM 0 H ASN A 79 5.471 17.227 -5.103 1.00 0.00 H new ATOM 0 HA ASN A 79 3.318 18.920 -5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.740 19.528 -5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.769 18.928 -6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.204 22.621 -6.051 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.651 21.470 -4.788 1.00 0.00 H new ATOM 1205 N LYS A 80 3.703 17.481 -8.078 1.00 0.00 N ATOM 1206 CA LYS A 80 2.990 17.149 -9.308 1.00 0.00 C ATOM 1207 C LYS A 80 2.559 15.687 -9.272 1.00 0.00 C ATOM 1208 O LYS A 80 2.111 15.126 -10.278 1.00 0.00 O ATOM 1209 CB LYS A 80 3.862 17.407 -10.545 1.00 0.00 C ATOM 1210 CG LYS A 80 4.951 16.367 -10.763 1.00 0.00 C ATOM 1211 CD LYS A 80 5.640 16.562 -12.099 1.00 0.00 C ATOM 1212 CE LYS A 80 6.510 15.371 -12.457 1.00 0.00 C ATOM 1213 NZ LYS A 80 7.206 15.575 -13.750 1.00 0.00 N ATOM 0 H LYS A 80 4.647 17.100 -8.019 1.00 0.00 H new ATOM 0 HA LYS A 80 2.111 17.789 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.223 17.439 -11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.325 18.389 -10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.685 16.432 -9.960 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.517 15.368 -10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.891 16.713 -12.877 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.252 17.463 -12.066 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.245 15.206 -11.669 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.895 14.473 -12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.792 14.743 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.503 15.708 -14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.812 16.418 -13.689 1.00 0.00 H new ATOM 1227 N ILE A 81 2.681 15.093 -8.089 1.00 0.00 N ATOM 1228 CA ILE A 81 2.368 13.682 -7.875 1.00 0.00 C ATOM 1229 C ILE A 81 3.276 12.792 -8.725 1.00 0.00 C ATOM 1230 O ILE A 81 4.485 13.021 -8.801 1.00 0.00 O ATOM 1231 CB ILE A 81 0.868 13.382 -8.147 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -0.002 14.542 -7.651 1.00 0.00 C ATOM 1233 CG2 ILE A 81 0.443 12.089 -7.443 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -1.477 14.342 -7.912 1.00 0.00 C ATOM 0 H ILE A 81 3.000 15.576 -7.249 1.00 0.00 H new ATOM 0 HA ILE A 81 2.556 13.454 -6.826 1.00 0.00 H new ATOM 0 HB ILE A 81 0.733 13.263 -9.222 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.155 14.672 -6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.323 15.463 -8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.610 11.894 -7.644 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.043 11.258 -7.815 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.594 12.193 -6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.033 15.201 -7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.647 14.242 -8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.817 13.439 -7.405 1.00 0.00 H new ATOM 1246 N HIS A 82 2.673 11.800 -9.354 1.00 0.00 N ATOM 1247 CA HIS A 82 3.379 10.735 -10.063 1.00 0.00 C ATOM 1248 C HIS A 82 4.149 9.884 -9.064 1.00 0.00 C ATOM 1249 O HIS A 82 5.296 10.177 -8.717 1.00 0.00 O ATOM 1250 CB HIS A 82 4.318 11.277 -11.148 1.00 0.00 C ATOM 1251 CG HIS A 82 5.074 10.197 -11.869 1.00 0.00 C ATOM 1252 ND1 HIS A 82 6.443 10.046 -11.786 1.00 0.00 N ATOM 1253 CD2 HIS A 82 4.636 9.193 -12.666 1.00 0.00 C ATOM 1254 CE1 HIS A 82 6.809 8.999 -12.497 1.00 0.00 C ATOM 1255 NE2 HIS A 82 5.735 8.463 -13.043 1.00 0.00 N ATOM 0 H HIS A 82 1.658 11.705 -9.390 1.00 0.00 H new ATOM 0 HA HIS A 82 2.635 10.122 -10.572 1.00 0.00 H new ATOM 0 HB2 HIS A 82 3.736 11.849 -11.871 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.028 11.967 -10.693 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.612 9.003 -12.952 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.821 8.639 -12.613 1.00 0.00 H new ATOM 0 HE2 HIS A 82 5.723 7.641 -13.646 1.00 0.00 H new ATOM 1264 N GLY A 83 3.494 8.838 -8.590 1.00 0.00 N ATOM 1265 CA GLY A 83 4.081 8.002 -7.575 1.00 0.00 C ATOM 1266 C GLY A 83 4.848 6.843 -8.151 1.00 0.00 C ATOM 1267 O GLY A 83 4.386 6.165 -9.070 1.00 0.00 O ATOM 0 H GLY A 83 2.562 8.554 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.748 8.602 -6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.295 7.624 -6.922 1.00 0.00 H new ATOM 1271 N THR A 84 6.017 6.633 -7.601 1.00 0.00 N ATOM 1272 CA THR A 84 6.877 5.530 -7.969 1.00 0.00 C ATOM 1273 C THR A 84 7.285 4.811 -6.693 1.00 0.00 C ATOM 1274 O THR A 84 7.289 5.417 -5.623 1.00 0.00 O ATOM 1275 CB THR A 84 8.139 6.033 -8.694 1.00 0.00 C ATOM 1276 OG1 THR A 84 7.819 7.167 -9.513 1.00 0.00 O ATOM 1277 CG2 THR A 84 8.744 4.949 -9.567 1.00 0.00 C ATOM 0 H THR A 84 6.407 7.232 -6.873 1.00 0.00 H new ATOM 0 HA THR A 84 6.342 4.862 -8.644 1.00 0.00 H new ATOM 0 HB THR A 84 8.865 6.316 -7.932 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.628 7.480 -9.969 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.633 5.337 -10.065 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.018 4.094 -8.948 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.016 4.637 -10.316 1.00 0.00 H new ATOM 1285 N ALA A 85 7.621 3.539 -6.788 1.00 0.00 N ATOM 1286 CA ALA A 85 8.000 2.791 -5.605 1.00 0.00 C ATOM 1287 C ALA A 85 9.012 1.708 -5.930 1.00 0.00 C ATOM 1288 O ALA A 85 8.856 0.958 -6.890 1.00 0.00 O ATOM 1289 CB ALA A 85 6.771 2.181 -4.944 1.00 0.00 C ATOM 0 H ALA A 85 7.640 3.008 -7.659 1.00 0.00 H new ATOM 0 HA ALA A 85 8.468 3.489 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.074 1.623 -4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.082 2.974 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.277 1.508 -5.645 1.00 0.00 H new ATOM 1295 N ASP A 86 10.048 1.633 -5.119 1.00 0.00 N ATOM 1296 CA ASP A 86 11.021 0.568 -5.220 1.00 0.00 C ATOM 1297 C ASP A 86 10.679 -0.490 -4.190 1.00 0.00 C ATOM 1298 O ASP A 86 10.621 -0.201 -2.995 1.00 0.00 O ATOM 1299 CB ASP A 86 12.430 1.106 -4.984 1.00 0.00 C ATOM 1300 CG ASP A 86 12.904 2.038 -6.084 1.00 0.00 C ATOM 1301 OD1 ASP A 86 12.554 3.238 -6.054 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.640 1.572 -6.983 1.00 0.00 O ATOM 0 H ASP A 86 10.237 2.305 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 86 10.994 0.136 -6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.455 1.635 -4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.123 0.269 -4.902 1.00 0.00 H new ATOM 1307 N ILE A 87 10.426 -1.701 -4.643 1.00 0.00 N ATOM 1308 CA ILE A 87 9.916 -2.731 -3.749 1.00 0.00 C ATOM 1309 C ILE A 87 10.938 -3.834 -3.510 1.00 0.00 C ATOM 1310 O ILE A 87 11.805 -4.098 -4.352 1.00 0.00 O ATOM 1311 CB ILE A 87 8.604 -3.332 -4.286 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.821 -3.995 -5.647 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.546 -2.244 -4.392 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.562 -4.598 -6.227 1.00 0.00 C ATOM 0 H ILE A 87 10.561 -1.998 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 87 9.715 -2.248 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 87 8.264 -4.098 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.216 -3.256 -6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.576 -4.775 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.619 -2.674 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.368 -1.812 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.891 -1.466 -5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.787 -5.051 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.178 -5.360 -5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.812 -3.818 -6.359 1.00 0.00 H new ATOM 1326 N TYR A 88 10.821 -4.476 -2.353 1.00 0.00 N ATOM 1327 CA TYR A 88 11.771 -5.484 -1.927 1.00 0.00 C ATOM 1328 C TYR A 88 11.041 -6.671 -1.314 1.00 0.00 C ATOM 1329 O TYR A 88 10.043 -6.498 -0.612 1.00 0.00 O ATOM 1330 CB TYR A 88 12.731 -4.885 -0.894 1.00 0.00 C ATOM 1331 CG TYR A 88 13.384 -3.596 -1.348 1.00 0.00 C ATOM 1332 CD1 TYR A 88 14.560 -3.613 -2.083 1.00 0.00 C ATOM 1333 CD2 TYR A 88 12.811 -2.364 -1.052 1.00 0.00 C ATOM 1334 CE1 TYR A 88 15.148 -2.438 -2.514 1.00 0.00 C ATOM 1335 CE2 TYR A 88 13.391 -1.187 -1.481 1.00 0.00 C ATOM 1336 CZ TYR A 88 14.559 -1.228 -2.210 1.00 0.00 C ATOM 1337 OH TYR A 88 15.141 -0.057 -2.643 1.00 0.00 O ATOM 0 H TYR A 88 10.065 -4.309 -1.689 1.00 0.00 H new ATOM 0 HA TYR A 88 12.335 -5.824 -2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.186 -4.700 0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.508 -5.615 -0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 88 15.024 -4.559 -2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.897 -2.327 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.064 -2.467 -3.086 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.931 -0.238 -1.246 1.00 0.00 H new ATOM 0 HH TYR A 88 14.602 0.706 -2.346 1.00 0.00 H new ATOM 1347 N LYS A 89 11.533 -7.870 -1.580 1.00 0.00 N ATOM 1348 CA LYS A 89 10.947 -9.069 -1.004 1.00 0.00 C ATOM 1349 C LYS A 89 11.892 -9.686 0.013 1.00 0.00 C ATOM 1350 O LYS A 89 13.080 -9.376 0.027 1.00 0.00 O ATOM 1351 CB LYS A 89 10.622 -10.091 -2.077 1.00 0.00 C ATOM 1352 CG LYS A 89 11.823 -10.714 -2.749 1.00 0.00 C ATOM 1353 CD LYS A 89 11.370 -11.900 -3.561 1.00 0.00 C ATOM 1354 CE LYS A 89 12.516 -12.566 -4.300 1.00 0.00 C ATOM 1355 NZ LYS A 89 12.057 -13.739 -5.089 1.00 0.00 N ATOM 0 H LYS A 89 12.334 -8.039 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 89 10.021 -8.778 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.021 -10.884 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.006 -9.613 -2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.316 -9.984 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.553 -11.026 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.894 -12.627 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.616 -11.579 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.988 -11.843 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.274 -12.884 -3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.868 -14.167 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.629 -14.440 -4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.352 -13.432 -5.789 1.00 0.00 H new ATOM 1369 N LYS A 90 11.359 -10.549 0.861 1.00 0.00 N ATOM 1370 CA LYS A 90 12.165 -11.253 1.843 1.00 0.00 C ATOM 1371 C LYS A 90 12.928 -12.385 1.164 1.00 0.00 C ATOM 1372 O LYS A 90 12.428 -13.006 0.225 1.00 0.00 O ATOM 1373 CB LYS A 90 11.277 -11.804 2.964 1.00 0.00 C ATOM 1374 CG LYS A 90 12.055 -12.301 4.174 1.00 0.00 C ATOM 1375 CD LYS A 90 11.154 -12.926 5.235 1.00 0.00 C ATOM 1376 CE LYS A 90 10.155 -11.929 5.817 1.00 0.00 C ATOM 1377 NZ LYS A 90 8.874 -11.891 5.056 1.00 0.00 N ATOM 0 H LYS A 90 10.366 -10.780 0.889 1.00 0.00 H new ATOM 0 HA LYS A 90 12.880 -10.557 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.585 -11.025 3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.675 -12.622 2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.792 -13.036 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.605 -11.469 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.612 -13.765 4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.770 -13.329 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.949 -12.190 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.601 -10.934 5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.077 -11.828 5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.868 -11.062 4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.782 -12.757 4.487 1.00 0.00 H new ATOM 1391 N LYS A 91 14.143 -12.639 1.623 1.00 0.00 N ATOM 1392 CA LYS A 91 14.979 -13.669 1.026 1.00 0.00 C ATOM 1393 C LYS A 91 14.698 -15.037 1.624 1.00 0.00 C ATOM 1394 O LYS A 91 13.788 -15.214 2.436 1.00 0.00 O ATOM 1395 CB LYS A 91 16.459 -13.374 1.239 1.00 0.00 C ATOM 1396 CG LYS A 91 16.940 -12.062 0.675 1.00 0.00 C ATOM 1397 CD LYS A 91 18.450 -12.015 0.713 1.00 0.00 C ATOM 1398 CE LYS A 91 19.047 -12.760 -0.469 1.00 0.00 C ATOM 1399 NZ LYS A 91 20.509 -12.971 -0.320 1.00 0.00 N ATOM 0 H LYS A 91 14.572 -12.147 2.406 1.00 0.00 H new ATOM 0 HA LYS A 91 14.741 -13.670 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.665 -13.388 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.042 -14.179 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.588 -11.945 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.526 -11.234 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.786 -10.978 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.808 -12.455 1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.552 -13.725 -0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.854 -12.200 -1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.963 -12.926 -1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.906 -12.231 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.684 -13.904 0.106 1.00 0.00 H new ATOM 1413 N LEU A 92 15.534 -15.991 1.245 1.00 0.00 N ATOM 1414 CA LEU A 92 15.471 -17.327 1.802 1.00 0.00 C ATOM 1415 C LEU A 92 16.464 -17.434 2.950 1.00 0.00 C ATOM 1416 O LEU A 92 16.345 -18.294 3.820 1.00 0.00 O ATOM 1417 CB LEU A 92 15.718 -18.407 0.733 1.00 0.00 C ATOM 1418 CG LEU A 92 16.983 -18.252 -0.115 1.00 0.00 C ATOM 1419 CD1 LEU A 92 17.481 -19.618 -0.557 1.00 0.00 C ATOM 1420 CD2 LEU A 92 16.715 -17.390 -1.343 1.00 0.00 C ATOM 0 H LEU A 92 16.268 -15.860 0.549 1.00 0.00 H new ATOM 0 HA LEU A 92 14.465 -17.504 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.757 -19.376 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.858 -18.427 0.063 1.00 0.00 H new ATOM 0 HG LEU A 92 17.742 -17.763 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.381 -19.499 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.709 -20.224 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.711 -20.112 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.630 -17.296 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.941 -17.856 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.382 -16.401 -1.028 1.00 0.00 H new ATOM 1432 N GLU A 93 17.430 -16.528 2.950 1.00 0.00 N ATOM 1433 CA GLU A 93 18.314 -16.357 4.090 1.00 0.00 C ATOM 1434 C GLU A 93 17.703 -15.332 5.032 1.00 0.00 C ATOM 1435 O GLU A 93 17.693 -14.137 4.734 1.00 0.00 O ATOM 1436 CB GLU A 93 19.714 -15.880 3.676 1.00 0.00 C ATOM 1437 CG GLU A 93 20.477 -16.832 2.770 1.00 0.00 C ATOM 1438 CD GLU A 93 20.088 -16.699 1.317 1.00 0.00 C ATOM 1439 OE1 GLU A 93 20.028 -15.553 0.814 1.00 0.00 O ATOM 1440 OE2 GLU A 93 19.866 -17.736 0.665 1.00 0.00 O ATOM 0 H GLU A 93 17.621 -15.899 2.170 1.00 0.00 H new ATOM 0 HA GLU A 93 18.425 -17.326 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 93 19.619 -14.919 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 93 20.304 -15.709 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 93 21.546 -16.645 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 93 20.299 -17.857 3.096 1.00 0.00 H new