USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 446 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 37 SER OG : rot -125:sc= 0.814 USER MOD Set 1.2: A 39 THR OG1 : rot 33:sc= 0.0616 USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= -0.0178 (180deg=-0.214) USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -0.0782 (180deg=-0.33) USER MOD Single : A 31 MET CE :methyl 159:sc= -0.194 (180deg=-0.692) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.56 K(o=-0.56,f=-3.1) USER MOD Single : A 41 THR OG1 : rot -77:sc= -0.415 USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= -0.0205 (180deg=-0.225) USER MOD Single : A 50 LYS NZ :NH3+ -117:sc= -3.68! (180deg=-7.23!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.013 USER MOD Single : A 57 MET CE :methyl -128:sc= 0 (180deg=-2.69!) USER MOD Single : A 59 SER OG : rot -153:sc= -0.0746 USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.0214 (180deg=-0.227) USER MOD Single : A 65 MET CE :methyl -130:sc= -0.445 (180deg=-3.81!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.67! USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N LEU A 25 -0.631 11.932 5.200 1.00 0.00 N ATOM 350 CA LEU A 25 0.686 11.526 4.709 1.00 0.00 C ATOM 351 C LEU A 25 1.004 12.087 3.323 1.00 0.00 C ATOM 352 O LEU A 25 2.124 11.934 2.841 1.00 0.00 O ATOM 353 CB LEU A 25 0.794 10.001 4.695 1.00 0.00 C ATOM 354 CG LEU A 25 2.222 9.452 4.708 1.00 0.00 C ATOM 355 CD1 LEU A 25 2.952 9.896 5.967 1.00 0.00 C ATOM 356 CD2 LEU A 25 2.211 7.934 4.605 1.00 0.00 C ATOM 0 HA LEU A 25 1.422 11.944 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.262 9.606 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.284 9.624 3.808 1.00 0.00 H new ATOM 0 HG LEU A 25 2.752 9.851 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.966 9.496 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.991 10.985 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.422 9.525 6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.235 7.561 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.664 7.516 5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.726 7.636 3.675 1.00 0.00 H new ATOM 368 N LYS A 26 0.021 12.712 2.681 1.00 0.00 N ATOM 369 CA LYS A 26 0.204 13.279 1.339 1.00 0.00 C ATOM 370 C LYS A 26 1.562 13.969 1.174 1.00 0.00 C ATOM 371 O LYS A 26 2.052 14.128 0.056 1.00 0.00 O ATOM 372 CB LYS A 26 -0.907 14.285 1.037 1.00 0.00 C ATOM 373 CG LYS A 26 -0.827 14.877 -0.361 1.00 0.00 C ATOM 374 CD LYS A 26 -1.920 15.906 -0.597 1.00 0.00 C ATOM 375 CE LYS A 26 -1.847 16.487 -1.999 1.00 0.00 C ATOM 376 NZ LYS A 26 -0.558 17.190 -2.243 1.00 0.00 N ATOM 0 H LYS A 26 -0.915 12.841 3.066 1.00 0.00 H new ATOM 0 HA LYS A 26 0.164 12.446 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.873 13.795 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.863 15.093 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.148 15.342 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.912 14.080 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.895 15.444 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.830 16.708 0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.968 15.687 -2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.673 17.182 -2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.630 17.754 -3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.347 17.817 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.205 16.491 -2.346 1.00 0.00 H new ATOM 390 N GLU A 27 2.164 14.380 2.286 1.00 0.00 N ATOM 391 CA GLU A 27 3.456 15.055 2.250 1.00 0.00 C ATOM 392 C GLU A 27 4.606 14.055 2.188 1.00 0.00 C ATOM 393 O GLU A 27 5.535 14.209 1.395 1.00 0.00 O ATOM 394 CB GLU A 27 3.615 15.941 3.484 1.00 0.00 C ATOM 395 CG GLU A 27 4.947 16.672 3.543 1.00 0.00 C ATOM 396 CD GLU A 27 5.170 17.577 2.348 1.00 0.00 C ATOM 397 OE1 GLU A 27 4.353 18.499 2.141 1.00 0.00 O ATOM 398 OE2 GLU A 27 6.162 17.365 1.619 1.00 0.00 O ATOM 0 H GLU A 27 1.778 14.257 3.222 1.00 0.00 H new ATOM 0 HA GLU A 27 3.488 15.668 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.808 16.673 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.508 15.327 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.991 17.265 4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.755 15.943 3.597 1.00 0.00 H new ATOM 405 N LEU A 28 4.543 13.044 3.045 1.00 0.00 N ATOM 406 CA LEU A 28 5.584 12.026 3.113 1.00 0.00 C ATOM 407 C LEU A 28 5.320 10.870 2.150 1.00 0.00 C ATOM 408 O LEU A 28 6.196 10.494 1.374 1.00 0.00 O ATOM 409 CB LEU A 28 5.692 11.499 4.543 1.00 0.00 C ATOM 410 CG LEU A 28 6.685 10.357 4.752 1.00 0.00 C ATOM 411 CD1 LEU A 28 8.099 10.798 4.401 1.00 0.00 C ATOM 412 CD2 LEU A 28 6.613 9.867 6.188 1.00 0.00 C ATOM 0 H LEU A 28 3.778 12.907 3.706 1.00 0.00 H new ATOM 0 HA LEU A 28 6.524 12.490 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.974 12.325 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.706 11.162 4.863 1.00 0.00 H new ATOM 0 HG LEU A 28 6.419 9.535 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.788 9.968 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.135 11.107 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.388 11.635 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.323 9.053 6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.859 10.686 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.605 9.511 6.401 1.00 0.00 H new ATOM 424 N PHE A 29 4.120 10.296 2.225 1.00 0.00 N ATOM 425 CA PHE A 29 3.744 9.165 1.377 1.00 0.00 C ATOM 426 C PHE A 29 4.218 9.343 -0.065 1.00 0.00 C ATOM 427 O PHE A 29 4.715 8.404 -0.686 1.00 0.00 O ATOM 428 CB PHE A 29 2.228 8.972 1.397 1.00 0.00 C ATOM 429 CG PHE A 29 1.798 7.624 0.904 1.00 0.00 C ATOM 430 CD1 PHE A 29 2.451 6.480 1.333 1.00 0.00 C ATOM 431 CD2 PHE A 29 0.746 7.498 0.017 1.00 0.00 C ATOM 432 CE1 PHE A 29 2.062 5.236 0.885 1.00 0.00 C ATOM 433 CE2 PHE A 29 0.351 6.256 -0.434 1.00 0.00 C ATOM 434 CZ PHE A 29 1.010 5.122 0.000 1.00 0.00 C ATOM 0 H PHE A 29 3.388 10.598 2.868 1.00 0.00 H new ATOM 0 HA PHE A 29 4.236 8.281 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.864 9.113 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.762 9.742 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.275 6.564 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.228 8.381 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.580 4.352 1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.473 6.170 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.702 4.149 -0.353 1.00 0.00 H new ATOM 444 N LYS A 30 4.051 10.545 -0.597 1.00 0.00 N ATOM 445 CA LYS A 30 4.457 10.833 -1.970 1.00 0.00 C ATOM 446 C LYS A 30 5.977 10.855 -2.089 1.00 0.00 C ATOM 447 O LYS A 30 6.546 10.382 -3.073 1.00 0.00 O ATOM 448 CB LYS A 30 3.881 12.179 -2.419 1.00 0.00 C ATOM 449 CG LYS A 30 4.766 13.377 -2.104 1.00 0.00 C ATOM 450 CD LYS A 30 4.170 14.668 -2.643 1.00 0.00 C ATOM 451 CE LYS A 30 5.097 15.850 -2.413 1.00 0.00 C ATOM 452 NZ LYS A 30 6.408 15.670 -3.097 1.00 0.00 N ATOM 0 H LYS A 30 3.639 11.336 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 30 4.069 10.044 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.705 12.145 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.912 12.323 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.899 13.459 -1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.755 13.224 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.973 14.561 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.212 14.857 -2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.621 16.761 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.261 15.980 -1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.908 16.581 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.982 14.981 -2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.250 15.322 -4.064 1.00 0.00 H new ATOM 466 N MET A 31 6.618 11.430 -1.082 1.00 0.00 N ATOM 467 CA MET A 31 8.073 11.549 -1.058 1.00 0.00 C ATOM 468 C MET A 31 8.746 10.212 -0.753 1.00 0.00 C ATOM 469 O MET A 31 9.936 10.036 -1.019 1.00 0.00 O ATOM 470 CB MET A 31 8.496 12.597 -0.025 1.00 0.00 C ATOM 471 CG MET A 31 9.996 12.843 0.017 1.00 0.00 C ATOM 472 SD MET A 31 10.462 14.100 1.222 1.00 0.00 S ATOM 473 CE MET A 31 9.888 13.345 2.741 1.00 0.00 C ATOM 0 H MET A 31 6.152 11.824 -0.265 1.00 0.00 H new ATOM 0 HA MET A 31 8.396 11.864 -2.050 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.989 13.536 -0.245 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.161 12.277 0.962 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.506 11.910 0.256 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.338 13.149 -0.972 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.411 13.789 3.588 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.816 13.512 2.848 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.087 12.274 2.713 1.00 0.00 H new ATOM 483 N ILE A 32 7.988 9.268 -0.202 1.00 0.00 N ATOM 484 CA ILE A 32 8.536 7.956 0.121 1.00 0.00 C ATOM 485 C ILE A 32 8.326 6.996 -1.040 1.00 0.00 C ATOM 486 O ILE A 32 9.077 6.036 -1.216 1.00 0.00 O ATOM 487 CB ILE A 32 7.910 7.361 1.403 1.00 0.00 C ATOM 488 CG1 ILE A 32 8.651 6.087 1.813 1.00 0.00 C ATOM 489 CG2 ILE A 32 6.433 7.068 1.197 1.00 0.00 C ATOM 490 CD1 ILE A 32 10.109 6.319 2.145 1.00 0.00 C ATOM 0 H ILE A 32 7.001 9.386 0.028 1.00 0.00 H new ATOM 0 HA ILE A 32 9.602 8.091 0.301 1.00 0.00 H new ATOM 0 HB ILE A 32 8.005 8.096 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.154 5.650 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.582 5.359 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.014 6.650 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.910 7.991 0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.314 6.352 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.573 5.374 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.620 6.728 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.186 7.023 2.974 1.00 0.00 H new ATOM 502 N ASP A 33 7.305 7.278 -1.839 1.00 0.00 N ATOM 503 CA ASP A 33 6.993 6.459 -2.999 1.00 0.00 C ATOM 504 C ASP A 33 7.867 6.869 -4.177 1.00 0.00 C ATOM 505 O ASP A 33 7.903 8.039 -4.554 1.00 0.00 O ATOM 506 CB ASP A 33 5.514 6.601 -3.360 1.00 0.00 C ATOM 507 CG ASP A 33 5.134 5.793 -4.584 1.00 0.00 C ATOM 508 OD1 ASP A 33 5.342 4.561 -4.572 1.00 0.00 O ATOM 509 OD2 ASP A 33 4.621 6.390 -5.552 1.00 0.00 O ATOM 0 H ASP A 33 6.678 8.071 -1.703 1.00 0.00 H new ATOM 0 HA ASP A 33 7.195 5.415 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.905 6.281 -2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.286 7.652 -3.538 1.00 0.00 H new ATOM 514 N THR A 34 8.578 5.902 -4.745 1.00 0.00 N ATOM 515 CA THR A 34 9.462 6.163 -5.876 1.00 0.00 C ATOM 516 C THR A 34 8.690 6.802 -7.019 1.00 0.00 C ATOM 517 O THR A 34 9.228 7.595 -7.792 1.00 0.00 O ATOM 518 CB THR A 34 10.097 4.858 -6.350 1.00 0.00 C ATOM 519 OG1 THR A 34 11.238 5.113 -7.150 1.00 0.00 O ATOM 520 CG2 THR A 34 9.159 3.988 -7.161 1.00 0.00 C ATOM 0 H THR A 34 8.560 4.929 -4.441 1.00 0.00 H new ATOM 0 HA THR A 34 10.244 6.850 -5.554 1.00 0.00 H new ATOM 0 HB THR A 34 10.363 4.326 -5.437 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.630 4.263 -7.441 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.677 3.078 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.291 3.727 -6.556 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.833 4.532 -8.047 1.00 0.00 H new ATOM 528 N ASP A 35 7.423 6.434 -7.115 1.00 0.00 N ATOM 529 CA ASP A 35 6.551 6.949 -8.162 1.00 0.00 C ATOM 530 C ASP A 35 6.027 8.326 -7.797 1.00 0.00 C ATOM 531 O ASP A 35 5.595 9.085 -8.665 1.00 0.00 O ATOM 532 CB ASP A 35 5.395 5.982 -8.416 1.00 0.00 C ATOM 533 CG ASP A 35 4.725 6.220 -9.755 1.00 0.00 C ATOM 534 OD1 ASP A 35 5.439 6.238 -10.779 1.00 0.00 O ATOM 535 OD2 ASP A 35 3.488 6.371 -9.784 1.00 0.00 O ATOM 0 H ASP A 35 6.972 5.777 -6.478 1.00 0.00 H new ATOM 0 HA ASP A 35 7.133 7.040 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.766 4.958 -8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.657 6.085 -7.620 1.00 0.00 H new ATOM 540 N ASN A 36 6.074 8.645 -6.508 1.00 0.00 N ATOM 541 CA ASN A 36 5.607 9.939 -6.025 1.00 0.00 C ATOM 542 C ASN A 36 4.207 10.240 -6.547 1.00 0.00 C ATOM 543 O ASN A 36 3.776 11.393 -6.559 1.00 0.00 O ATOM 544 CB ASN A 36 6.569 11.051 -6.456 1.00 0.00 C ATOM 545 CG ASN A 36 7.971 10.856 -5.913 1.00 0.00 C ATOM 546 OD1 ASN A 36 8.635 9.865 -6.217 1.00 0.00 O ATOM 547 ND2 ASN A 36 8.431 11.806 -5.107 1.00 0.00 N ATOM 0 H ASN A 36 6.430 8.026 -5.780 1.00 0.00 H new ATOM 0 HA ASN A 36 5.573 9.898 -4.936 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.608 11.090 -7.545 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.183 12.012 -6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.369 11.731 -4.713 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.846 12.611 -4.882 1.00 0.00 H new ATOM 554 N SER A 37 3.496 9.199 -6.974 1.00 0.00 N ATOM 555 CA SER A 37 2.143 9.371 -7.487 1.00 0.00 C ATOM 556 C SER A 37 1.168 9.429 -6.331 1.00 0.00 C ATOM 557 O SER A 37 0.027 9.869 -6.475 1.00 0.00 O ATOM 558 CB SER A 37 1.770 8.226 -8.426 1.00 0.00 C ATOM 559 OG SER A 37 1.806 6.981 -7.751 1.00 0.00 O ATOM 0 H SER A 37 3.832 8.236 -6.975 1.00 0.00 H new ATOM 0 HA SER A 37 2.098 10.303 -8.050 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.772 8.395 -8.832 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.458 8.205 -9.271 1.00 0.00 H new ATOM 0 HG SER A 37 2.396 6.365 -8.233 1.00 0.00 H new ATOM 565 N GLY A 38 1.639 8.976 -5.179 1.00 0.00 N ATOM 566 CA GLY A 38 0.809 8.973 -3.989 1.00 0.00 C ATOM 567 C GLY A 38 0.311 7.586 -3.644 1.00 0.00 C ATOM 568 O GLY A 38 -0.642 7.430 -2.881 1.00 0.00 O ATOM 0 H GLY A 38 2.582 8.610 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.378 9.372 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.043 9.636 -4.140 1.00 0.00 H new ATOM 572 N THR A 39 0.966 6.580 -4.212 1.00 0.00 N ATOM 573 CA THR A 39 0.614 5.184 -3.978 1.00 0.00 C ATOM 574 C THR A 39 1.857 4.315 -4.103 1.00 0.00 C ATOM 575 O THR A 39 2.619 4.452 -5.061 1.00 0.00 O ATOM 576 CB THR A 39 -0.449 4.717 -4.979 1.00 0.00 C ATOM 577 OG1 THR A 39 0.020 4.858 -6.308 1.00 0.00 O ATOM 578 CG2 THR A 39 -1.758 5.470 -4.870 1.00 0.00 C ATOM 0 H THR A 39 1.754 6.708 -4.846 1.00 0.00 H new ATOM 0 HA THR A 39 0.204 5.093 -2.972 1.00 0.00 H new ATOM 0 HB THR A 39 -0.634 3.672 -4.732 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.989 4.710 -6.331 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.461 5.086 -5.609 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.172 5.337 -3.871 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.584 6.530 -5.052 1.00 0.00 H new ATOM 586 N ILE A 40 2.070 3.425 -3.140 1.00 0.00 N ATOM 587 CA ILE A 40 3.240 2.555 -3.174 1.00 0.00 C ATOM 588 C ILE A 40 2.864 1.138 -3.586 1.00 0.00 C ATOM 589 O ILE A 40 1.805 0.634 -3.218 1.00 0.00 O ATOM 590 CB ILE A 40 3.956 2.513 -1.805 1.00 0.00 C ATOM 591 CG1 ILE A 40 4.669 3.837 -1.545 1.00 0.00 C ATOM 592 CG2 ILE A 40 4.945 1.354 -1.744 1.00 0.00 C ATOM 593 CD1 ILE A 40 5.244 3.957 -0.149 1.00 0.00 C ATOM 0 H ILE A 40 1.457 3.288 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 40 3.920 2.974 -3.915 1.00 0.00 H new ATOM 0 HB ILE A 40 3.206 2.358 -1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.474 3.954 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.968 4.655 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.436 1.346 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.413 0.414 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.694 1.473 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.735 4.924 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.441 3.873 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.970 3.161 0.015 1.00 0.00 H new ATOM 605 N THR A 41 3.747 0.498 -4.345 1.00 0.00 N ATOM 606 CA THR A 41 3.518 -0.865 -4.800 1.00 0.00 C ATOM 607 C THR A 41 4.771 -1.709 -4.601 1.00 0.00 C ATOM 608 O THR A 41 5.877 -1.192 -4.643 1.00 0.00 O ATOM 609 CB THR A 41 3.111 -0.875 -6.274 1.00 0.00 C ATOM 610 OG1 THR A 41 4.141 -0.338 -7.082 1.00 0.00 O ATOM 611 CG2 THR A 41 1.852 -0.083 -6.553 1.00 0.00 C ATOM 0 H THR A 41 4.629 0.904 -4.658 1.00 0.00 H new ATOM 0 HA THR A 41 2.708 -1.292 -4.209 1.00 0.00 H new ATOM 0 HB THR A 41 2.924 -1.922 -6.514 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.137 0.639 -7.011 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.620 -0.132 -7.617 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.024 -0.502 -5.981 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.004 0.956 -6.262 1.00 0.00 H new ATOM 619 N PHE A 42 4.571 -3.005 -4.383 1.00 0.00 N ATOM 620 CA PHE A 42 5.652 -3.962 -4.172 1.00 0.00 C ATOM 621 C PHE A 42 6.897 -3.634 -4.997 1.00 0.00 C ATOM 622 O PHE A 42 7.969 -3.393 -4.440 1.00 0.00 O ATOM 623 CB PHE A 42 5.140 -5.360 -4.525 1.00 0.00 C ATOM 624 CG PHE A 42 6.218 -6.391 -4.652 1.00 0.00 C ATOM 625 CD1 PHE A 42 7.118 -6.604 -3.625 1.00 0.00 C ATOM 626 CD2 PHE A 42 6.325 -7.147 -5.805 1.00 0.00 C ATOM 627 CE1 PHE A 42 8.109 -7.553 -3.746 1.00 0.00 C ATOM 628 CE2 PHE A 42 7.314 -8.098 -5.933 1.00 0.00 C ATOM 629 CZ PHE A 42 8.209 -8.304 -4.901 1.00 0.00 C ATOM 0 H PHE A 42 3.642 -3.425 -4.347 1.00 0.00 H new ATOM 0 HA PHE A 42 5.951 -3.912 -3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.434 -5.681 -3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.590 -5.307 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.044 -6.021 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.626 -6.990 -6.613 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.808 -7.710 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.389 -8.681 -6.839 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.984 -9.050 -4.997 1.00 0.00 H new ATOM 639 N ASP A 43 6.755 -3.638 -6.319 1.00 0.00 N ATOM 640 CA ASP A 43 7.876 -3.349 -7.211 1.00 0.00 C ATOM 641 C ASP A 43 8.561 -2.044 -6.813 1.00 0.00 C ATOM 642 O ASP A 43 9.784 -1.923 -6.884 1.00 0.00 O ATOM 643 CB ASP A 43 7.391 -3.263 -8.661 1.00 0.00 C ATOM 644 CG ASP A 43 8.527 -3.080 -9.651 1.00 0.00 C ATOM 645 OD1 ASP A 43 9.701 -3.086 -9.222 1.00 0.00 O ATOM 646 OD2 ASP A 43 8.243 -2.936 -10.858 1.00 0.00 O ATOM 0 H ASP A 43 5.876 -3.838 -6.797 1.00 0.00 H new ATOM 0 HA ASP A 43 8.599 -4.161 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.841 -4.171 -8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.694 -2.431 -8.757 1.00 0.00 H new ATOM 651 N GLU A 44 7.760 -1.073 -6.396 1.00 0.00 N ATOM 652 CA GLU A 44 8.273 0.228 -5.986 1.00 0.00 C ATOM 653 C GLU A 44 8.654 0.227 -4.508 1.00 0.00 C ATOM 654 O GLU A 44 9.382 1.106 -4.045 1.00 0.00 O ATOM 655 CB GLU A 44 7.220 1.304 -6.250 1.00 0.00 C ATOM 656 CG GLU A 44 6.636 1.239 -7.650 1.00 0.00 C ATOM 657 CD GLU A 44 5.599 2.313 -7.905 1.00 0.00 C ATOM 658 OE1 GLU A 44 4.628 2.401 -7.124 1.00 0.00 O ATOM 659 OE2 GLU A 44 5.753 3.060 -8.894 1.00 0.00 O ATOM 0 H GLU A 44 6.746 -1.162 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 44 9.169 0.442 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.415 1.202 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.667 2.286 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.440 1.337 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.183 0.260 -7.805 1.00 0.00 H new ATOM 666 N LEU A 45 8.154 -0.761 -3.772 1.00 0.00 N ATOM 667 CA LEU A 45 8.437 -0.871 -2.350 1.00 0.00 C ATOM 668 C LEU A 45 9.909 -1.190 -2.116 1.00 0.00 C ATOM 669 O LEU A 45 10.636 -0.421 -1.488 1.00 0.00 O ATOM 670 CB LEU A 45 7.583 -1.956 -1.696 1.00 0.00 C ATOM 671 CG LEU A 45 7.769 -2.074 -0.182 1.00 0.00 C ATOM 672 CD1 LEU A 45 7.171 -0.869 0.528 1.00 0.00 C ATOM 673 CD2 LEU A 45 7.159 -3.364 0.335 1.00 0.00 C ATOM 0 H LEU A 45 7.550 -1.496 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 45 8.195 0.091 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.533 -1.752 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.820 -2.915 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 45 8.838 -2.097 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.314 -0.973 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.665 0.039 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.105 -0.809 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.303 -3.428 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.093 -3.378 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.643 -4.214 -0.146 1.00 0.00 H new ATOM 685 N LYS A 46 10.330 -2.344 -2.628 1.00 0.00 N ATOM 686 CA LYS A 46 11.704 -2.802 -2.488 1.00 0.00 C ATOM 687 C LYS A 46 12.684 -1.763 -3.011 1.00 0.00 C ATOM 688 O LYS A 46 13.785 -1.633 -2.493 1.00 0.00 O ATOM 689 CB LYS A 46 11.895 -4.116 -3.243 1.00 0.00 C ATOM 690 CG LYS A 46 11.593 -4.008 -4.728 1.00 0.00 C ATOM 691 CD LYS A 46 11.767 -5.342 -5.433 1.00 0.00 C ATOM 692 CE LYS A 46 11.436 -5.238 -6.913 1.00 0.00 C ATOM 693 NZ LYS A 46 12.313 -4.259 -7.613 1.00 0.00 N ATOM 0 H LYS A 46 9.729 -2.983 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 46 11.903 -2.958 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.923 -4.455 -3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.250 -4.876 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.572 -3.653 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.253 -3.268 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.794 -5.687 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.123 -6.088 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.543 -6.218 -7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.394 -4.941 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.198 -4.363 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.049 -3.293 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.305 -4.436 -7.356 1.00 0.00 H new ATOM 707 N ASP A 47 12.268 -1.030 -4.041 1.00 0.00 N ATOM 708 CA ASP A 47 13.101 0.004 -4.655 1.00 0.00 C ATOM 709 C ASP A 47 13.773 0.895 -3.610 1.00 0.00 C ATOM 710 O ASP A 47 14.728 1.605 -3.914 1.00 0.00 O ATOM 711 CB ASP A 47 12.257 0.852 -5.612 1.00 0.00 C ATOM 712 CG ASP A 47 13.052 1.951 -6.294 1.00 0.00 C ATOM 713 OD1 ASP A 47 13.468 2.906 -5.604 1.00 0.00 O ATOM 714 OD2 ASP A 47 13.260 1.856 -7.522 1.00 0.00 O ATOM 0 H ASP A 47 11.350 -1.134 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 47 13.893 -0.496 -5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.819 0.204 -6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.431 1.299 -5.059 1.00 0.00 H new ATOM 719 N GLY A 48 13.283 0.851 -2.377 1.00 0.00 N ATOM 720 CA GLY A 48 13.871 1.664 -1.330 1.00 0.00 C ATOM 721 C GLY A 48 15.262 1.192 -0.964 1.00 0.00 C ATOM 722 O GLY A 48 16.243 1.909 -1.165 1.00 0.00 O ATOM 0 H GLY A 48 12.496 0.272 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.914 2.703 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.233 1.635 -0.446 1.00 0.00 H new ATOM 726 N LEU A 49 15.348 -0.023 -0.437 1.00 0.00 N ATOM 727 CA LEU A 49 16.629 -0.603 -0.055 1.00 0.00 C ATOM 728 C LEU A 49 17.225 -1.406 -1.207 1.00 0.00 C ATOM 729 O LEU A 49 18.393 -1.783 -1.171 1.00 0.00 O ATOM 730 CB LEU A 49 16.471 -1.497 1.181 1.00 0.00 C ATOM 731 CG LEU A 49 16.203 -0.765 2.502 1.00 0.00 C ATOM 732 CD1 LEU A 49 17.338 0.195 2.824 1.00 0.00 C ATOM 733 CD2 LEU A 49 14.873 -0.026 2.455 1.00 0.00 C ATOM 0 H LEU A 49 14.544 -0.627 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 49 17.308 0.214 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.652 -2.194 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 49 17.377 -2.092 1.294 1.00 0.00 H new ATOM 0 HG LEU A 49 16.148 -1.510 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 49 17.128 0.704 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 49 18.271 -0.361 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.429 0.931 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.707 0.485 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.892 0.706 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.067 -0.739 2.280 1.00 0.00 H new ATOM 745 N LYS A 50 16.406 -1.682 -2.217 1.00 0.00 N ATOM 746 CA LYS A 50 16.844 -2.462 -3.371 1.00 0.00 C ATOM 747 C LYS A 50 17.494 -1.601 -4.451 1.00 0.00 C ATOM 748 O LYS A 50 18.159 -2.122 -5.346 1.00 0.00 O ATOM 749 CB LYS A 50 15.680 -3.265 -3.959 1.00 0.00 C ATOM 750 CG LYS A 50 15.421 -4.580 -3.234 1.00 0.00 C ATOM 751 CD LYS A 50 15.185 -4.371 -1.746 1.00 0.00 C ATOM 752 CE LYS A 50 15.174 -5.692 -0.995 1.00 0.00 C ATOM 753 NZ LYS A 50 15.061 -5.492 0.476 1.00 0.00 N ATOM 0 H LYS A 50 15.434 -1.377 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 50 17.606 -3.152 -3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.776 -2.657 -3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.886 -3.473 -5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.553 -5.072 -3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 50 16.272 -5.247 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.964 -3.726 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.236 -3.857 -1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.340 -6.301 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.087 -6.244 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.916 -5.858 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.961 -4.477 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.227 -6.001 0.833 1.00 0.00 H new ATOM 767 N ARG A 51 17.307 -0.288 -4.372 1.00 0.00 N ATOM 768 CA ARG A 51 17.890 0.614 -5.358 1.00 0.00 C ATOM 769 C ARG A 51 19.400 0.684 -5.180 1.00 0.00 C ATOM 770 O ARG A 51 20.117 1.209 -6.032 1.00 0.00 O ATOM 771 CB ARG A 51 17.280 2.013 -5.240 1.00 0.00 C ATOM 772 CG ARG A 51 17.746 2.980 -6.319 1.00 0.00 C ATOM 773 CD ARG A 51 17.372 2.489 -7.710 1.00 0.00 C ATOM 774 NE ARG A 51 17.816 3.406 -8.755 1.00 0.00 N ATOM 775 CZ ARG A 51 17.631 3.189 -10.054 1.00 0.00 C ATOM 776 NH1 ARG A 51 17.016 2.088 -10.466 1.00 0.00 N ATOM 777 NH2 ARG A 51 18.061 4.073 -10.943 1.00 0.00 N ATOM 0 H ARG A 51 16.762 0.172 -3.643 1.00 0.00 H new ATOM 0 HA ARG A 51 17.669 0.224 -6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.194 1.930 -5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 51 17.529 2.426 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.301 3.960 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.827 3.104 -6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 51 17.814 1.507 -7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.291 2.366 -7.772 1.00 0.00 H new ATOM 0 HE ARG A 51 18.295 4.261 -8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.683 1.405 -9.786 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.876 1.925 -11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 51 18.534 4.921 -10.631 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.918 3.905 -11.939 1.00 0.00 H new ATOM 791 N VAL A 52 19.876 0.146 -4.062 1.00 0.00 N ATOM 792 CA VAL A 52 21.299 0.142 -3.766 1.00 0.00 C ATOM 793 C VAL A 52 21.990 -1.053 -4.418 1.00 0.00 C ATOM 794 O VAL A 52 23.173 -0.991 -4.753 1.00 0.00 O ATOM 795 CB VAL A 52 21.556 0.118 -2.247 1.00 0.00 C ATOM 796 CG1 VAL A 52 21.157 -1.220 -1.645 1.00 0.00 C ATOM 797 CG2 VAL A 52 23.008 0.431 -1.951 1.00 0.00 C ATOM 0 H VAL A 52 19.295 -0.292 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 52 21.715 1.062 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 52 20.937 0.887 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 52 21.349 -1.208 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.096 -1.396 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.739 -2.016 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.172 0.410 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 52 23.645 -0.312 -2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 52 23.253 1.421 -2.336 1.00 0.00 H new ATOM 807 N GLY A 53 21.237 -2.135 -4.604 1.00 0.00 N ATOM 808 CA GLY A 53 21.786 -3.327 -5.226 1.00 0.00 C ATOM 809 C GLY A 53 22.915 -3.948 -4.426 1.00 0.00 C ATOM 810 O GLY A 53 23.974 -4.252 -4.977 1.00 0.00 O ATOM 0 H GLY A 53 20.256 -2.207 -4.335 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.991 -4.062 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.150 -3.075 -6.222 1.00 0.00 H new ATOM 814 N SER A 54 22.698 -4.141 -3.127 1.00 0.00 N ATOM 815 CA SER A 54 23.719 -4.733 -2.269 1.00 0.00 C ATOM 816 C SER A 54 23.724 -6.255 -2.406 1.00 0.00 C ATOM 817 O SER A 54 24.152 -6.791 -3.429 1.00 0.00 O ATOM 818 CB SER A 54 23.492 -4.323 -0.811 1.00 0.00 C ATOM 819 OG SER A 54 23.605 -2.920 -0.652 1.00 0.00 O ATOM 0 H SER A 54 21.830 -3.898 -2.649 1.00 0.00 H new ATOM 0 HA SER A 54 24.693 -4.361 -2.585 1.00 0.00 H new ATOM 0 HB2 SER A 54 22.504 -4.650 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 54 24.219 -4.824 -0.172 1.00 0.00 H new ATOM 0 HG SER A 54 23.454 -2.684 0.287 1.00 0.00 H new ATOM 825 N GLU A 55 23.240 -6.947 -1.378 1.00 0.00 N ATOM 826 CA GLU A 55 23.182 -8.403 -1.392 1.00 0.00 C ATOM 827 C GLU A 55 21.909 -8.873 -0.694 1.00 0.00 C ATOM 828 O GLU A 55 21.867 -9.944 -0.087 1.00 0.00 O ATOM 829 CB GLU A 55 24.423 -8.990 -0.709 1.00 0.00 C ATOM 830 CG GLU A 55 24.573 -10.494 -0.889 1.00 0.00 C ATOM 831 CD GLU A 55 25.822 -11.040 -0.225 1.00 0.00 C ATOM 832 OE1 GLU A 55 26.932 -10.598 -0.591 1.00 0.00 O ATOM 833 OE2 GLU A 55 25.691 -11.910 0.662 1.00 0.00 O ATOM 0 H GLU A 55 22.882 -6.520 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 55 23.165 -8.752 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 55 25.311 -8.496 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 55 24.380 -8.764 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.698 -10.995 -0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 55 24.600 -10.728 -1.953 1.00 0.00 H new ATOM 840 N LEU A 56 20.871 -8.049 -0.787 1.00 0.00 N ATOM 841 CA LEU A 56 19.586 -8.355 -0.169 1.00 0.00 C ATOM 842 C LEU A 56 18.760 -9.296 -1.027 1.00 0.00 C ATOM 843 O LEU A 56 19.073 -9.538 -2.193 1.00 0.00 O ATOM 844 CB LEU A 56 18.793 -7.072 0.103 1.00 0.00 C ATOM 845 CG LEU A 56 18.956 -5.957 -0.934 1.00 0.00 C ATOM 846 CD1 LEU A 56 18.368 -6.369 -2.275 1.00 0.00 C ATOM 847 CD2 LEU A 56 18.309 -4.676 -0.434 1.00 0.00 C ATOM 0 H LEU A 56 20.895 -7.160 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 56 19.796 -8.853 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.736 -7.328 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 56 19.090 -6.683 1.077 1.00 0.00 H new ATOM 0 HG LEU A 56 20.021 -5.776 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 56 18.497 -5.559 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.879 -7.261 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.306 -6.583 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 56 18.432 -3.891 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.247 -4.849 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 56 18.784 -4.368 0.498 1.00 0.00 H new ATOM 859 N MET A 57 17.696 -9.817 -0.433 1.00 0.00 N ATOM 860 CA MET A 57 16.803 -10.729 -1.123 1.00 0.00 C ATOM 861 C MET A 57 15.376 -10.197 -1.106 1.00 0.00 C ATOM 862 O MET A 57 14.784 -10.004 -0.044 1.00 0.00 O ATOM 863 CB MET A 57 16.859 -12.118 -0.483 1.00 0.00 C ATOM 864 CG MET A 57 16.675 -12.105 1.026 1.00 0.00 C ATOM 865 SD MET A 57 16.748 -13.755 1.750 1.00 0.00 S ATOM 866 CE MET A 57 16.530 -13.373 3.487 1.00 0.00 C ATOM 0 H MET A 57 17.431 -9.620 0.532 1.00 0.00 H new ATOM 0 HA MET A 57 17.129 -10.809 -2.160 1.00 0.00 H new ATOM 0 HB2 MET A 57 16.087 -12.745 -0.929 1.00 0.00 H new ATOM 0 HB3 MET A 57 17.818 -12.578 -0.719 1.00 0.00 H new ATOM 0 HG2 MET A 57 17.446 -11.480 1.477 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.715 -11.649 1.267 1.00 0.00 H new ATOM 0 HE1 MET A 57 17.329 -13.838 4.065 1.00 0.00 H new ATOM 0 HE2 MET A 57 16.561 -12.293 3.629 1.00 0.00 H new ATOM 0 HE3 MET A 57 15.567 -13.755 3.826 1.00 0.00 H new ATOM 876 N GLU A 58 14.831 -9.967 -2.295 1.00 0.00 N ATOM 877 CA GLU A 58 13.470 -9.463 -2.438 1.00 0.00 C ATOM 878 C GLU A 58 12.473 -10.409 -1.776 1.00 0.00 C ATOM 879 O GLU A 58 11.293 -10.087 -1.636 1.00 0.00 O ATOM 880 CB GLU A 58 13.115 -9.277 -3.917 1.00 0.00 C ATOM 881 CG GLU A 58 13.784 -8.077 -4.578 1.00 0.00 C ATOM 882 CD GLU A 58 15.300 -8.160 -4.588 1.00 0.00 C ATOM 883 OE1 GLU A 58 15.913 -8.052 -3.506 1.00 0.00 O ATOM 884 OE2 GLU A 58 15.876 -8.334 -5.683 1.00 0.00 O ATOM 0 H GLU A 58 15.315 -10.123 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 58 13.415 -8.494 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.394 -10.179 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.034 -9.171 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.426 -7.990 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.481 -7.169 -4.057 1.00 0.00 H new ATOM 891 N SER A 59 12.961 -11.578 -1.374 1.00 0.00 N ATOM 892 CA SER A 59 12.122 -12.581 -0.725 1.00 0.00 C ATOM 893 C SER A 59 11.584 -12.044 0.591 1.00 0.00 C ATOM 894 O SER A 59 10.596 -12.546 1.127 1.00 0.00 O ATOM 895 CB SER A 59 12.915 -13.866 -0.482 1.00 0.00 C ATOM 896 OG SER A 59 14.008 -13.633 0.389 1.00 0.00 O ATOM 0 H SER A 59 13.936 -11.855 -1.486 1.00 0.00 H new ATOM 0 HA SER A 59 11.283 -12.808 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.261 -14.626 -0.054 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.280 -14.257 -1.432 1.00 0.00 H new ATOM 0 HG SER A 59 14.717 -14.284 0.205 1.00 0.00 H new ATOM 902 N GLU A 60 12.240 -11.006 1.093 1.00 0.00 N ATOM 903 CA GLU A 60 11.837 -10.371 2.333 1.00 0.00 C ATOM 904 C GLU A 60 10.774 -9.324 2.044 1.00 0.00 C ATOM 905 O GLU A 60 9.780 -9.214 2.761 1.00 0.00 O ATOM 906 CB GLU A 60 13.047 -9.727 3.008 1.00 0.00 C ATOM 907 CG GLU A 60 14.127 -10.720 3.410 1.00 0.00 C ATOM 908 CD GLU A 60 13.659 -11.705 4.466 1.00 0.00 C ATOM 909 OE1 GLU A 60 12.724 -12.483 4.185 1.00 0.00 O ATOM 910 OE2 GLU A 60 14.231 -11.697 5.577 1.00 0.00 O ATOM 0 H GLU A 60 13.059 -10.586 0.654 1.00 0.00 H new ATOM 0 HA GLU A 60 11.424 -11.122 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.479 -8.989 2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.713 -9.189 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.455 -11.269 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.993 -10.175 3.787 1.00 0.00 H new ATOM 917 N ILE A 61 10.994 -8.565 0.972 1.00 0.00 N ATOM 918 CA ILE A 61 10.059 -7.524 0.554 1.00 0.00 C ATOM 919 C ILE A 61 8.642 -8.078 0.410 1.00 0.00 C ATOM 920 O ILE A 61 7.671 -7.326 0.415 1.00 0.00 O ATOM 921 CB ILE A 61 10.501 -6.889 -0.780 1.00 0.00 C ATOM 922 CG1 ILE A 61 11.913 -6.315 -0.644 1.00 0.00 C ATOM 923 CG2 ILE A 61 9.522 -5.804 -1.211 1.00 0.00 C ATOM 924 CD1 ILE A 61 12.009 -5.161 0.335 1.00 0.00 C ATOM 0 H ILE A 61 11.816 -8.653 0.375 1.00 0.00 H new ATOM 0 HA ILE A 61 10.059 -6.759 1.330 1.00 0.00 H new ATOM 0 HB ILE A 61 10.508 -7.662 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.589 -7.108 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.255 -5.979 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.853 -5.369 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.531 -6.239 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.481 -5.027 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.039 -4.806 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.359 -4.350 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.698 -5.496 1.324 1.00 0.00 H new ATOM 936 N LYS A 62 8.532 -9.399 0.291 1.00 0.00 N ATOM 937 CA LYS A 62 7.232 -10.052 0.161 1.00 0.00 C ATOM 938 C LYS A 62 6.516 -10.024 1.495 1.00 0.00 C ATOM 939 O LYS A 62 5.493 -9.362 1.649 1.00 0.00 O ATOM 940 CB LYS A 62 7.417 -11.491 -0.298 1.00 0.00 C ATOM 941 CG LYS A 62 8.465 -11.619 -1.377 1.00 0.00 C ATOM 942 CD LYS A 62 8.043 -10.909 -2.655 1.00 0.00 C ATOM 943 CE LYS A 62 6.810 -11.550 -3.274 1.00 0.00 C ATOM 944 NZ LYS A 62 7.052 -12.969 -3.655 1.00 0.00 N ATOM 0 H LYS A 62 9.327 -10.038 0.282 1.00 0.00 H new ATOM 0 HA LYS A 62 6.635 -9.520 -0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.700 -12.108 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.467 -11.876 -0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.407 -11.201 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.644 -12.673 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.838 -9.861 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.864 -10.932 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.982 -11.500 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.511 -10.984 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.286 -13.297 -4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.961 -13.044 -4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.078 -13.559 -2.799 1.00 0.00 H new ATOM 958 N ASP A 63 7.086 -10.719 2.472 1.00 0.00 N ATOM 959 CA ASP A 63 6.523 -10.738 3.808 1.00 0.00 C ATOM 960 C ASP A 63 6.460 -9.310 4.328 1.00 0.00 C ATOM 961 O ASP A 63 5.747 -9.008 5.284 1.00 0.00 O ATOM 962 CB ASP A 63 7.368 -11.607 4.742 1.00 0.00 C ATOM 963 CG ASP A 63 7.450 -13.050 4.279 1.00 0.00 C ATOM 964 OD1 ASP A 63 6.847 -13.375 3.234 1.00 0.00 O ATOM 965 OD2 ASP A 63 8.118 -13.855 4.962 1.00 0.00 O ATOM 0 H ASP A 63 7.935 -11.274 2.361 1.00 0.00 H new ATOM 0 HA ASP A 63 5.521 -11.166 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.374 -11.192 4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.944 -11.575 5.746 1.00 0.00 H new ATOM 970 N LEU A 64 7.221 -8.436 3.670 1.00 0.00 N ATOM 971 CA LEU A 64 7.268 -7.025 4.037 1.00 0.00 C ATOM 972 C LEU A 64 6.139 -6.240 3.367 1.00 0.00 C ATOM 973 O LEU A 64 5.566 -5.333 3.968 1.00 0.00 O ATOM 974 CB LEU A 64 8.627 -6.424 3.661 1.00 0.00 C ATOM 975 CG LEU A 64 9.796 -6.846 4.556 1.00 0.00 C ATOM 976 CD1 LEU A 64 11.094 -6.227 4.061 1.00 0.00 C ATOM 977 CD2 LEU A 64 9.535 -6.447 6.002 1.00 0.00 C ATOM 0 H LEU A 64 7.814 -8.683 2.878 1.00 0.00 H new ATOM 0 HA LEU A 64 7.134 -6.953 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.858 -6.703 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.545 -5.337 3.685 1.00 0.00 H new ATOM 0 HG LEU A 64 9.889 -7.931 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.915 -6.537 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.290 -6.559 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.009 -5.140 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.377 -6.755 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.415 -5.365 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.626 -6.934 6.356 1.00 0.00 H new ATOM 989 N MET A 65 5.826 -6.592 2.121 1.00 0.00 N ATOM 990 CA MET A 65 4.767 -5.917 1.374 1.00 0.00 C ATOM 991 C MET A 65 3.410 -6.568 1.623 1.00 0.00 C ATOM 992 O MET A 65 2.468 -5.910 2.064 1.00 0.00 O ATOM 993 CB MET A 65 5.076 -5.933 -0.124 1.00 0.00 C ATOM 994 CG MET A 65 4.025 -5.231 -0.969 1.00 0.00 C ATOM 995 SD MET A 65 3.810 -3.501 -0.509 1.00 0.00 S ATOM 996 CE MET A 65 2.536 -2.997 -1.662 1.00 0.00 C ATOM 0 H MET A 65 6.291 -7.341 1.608 1.00 0.00 H new ATOM 0 HA MET A 65 4.724 -4.886 1.724 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.042 -5.458 -0.292 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.167 -6.967 -0.457 1.00 0.00 H new ATOM 0 HG2 MET A 65 4.309 -5.291 -2.020 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.073 -5.752 -0.865 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.841 -2.078 -2.163 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.385 -3.781 -2.404 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.605 -2.824 -1.123 1.00 0.00 H new ATOM 1006 N ASP A 66 3.318 -7.861 1.319 1.00 0.00 N ATOM 1007 CA ASP A 66 2.075 -8.609 1.492 1.00 0.00 C ATOM 1008 C ASP A 66 1.439 -8.349 2.858 1.00 0.00 C ATOM 1009 O ASP A 66 0.226 -8.166 2.960 1.00 0.00 O ATOM 1010 CB ASP A 66 2.334 -10.107 1.320 1.00 0.00 C ATOM 1011 CG ASP A 66 1.074 -10.934 1.487 1.00 0.00 C ATOM 1012 OD1 ASP A 66 0.118 -10.724 0.710 1.00 0.00 O ATOM 1013 OD2 ASP A 66 1.042 -11.790 2.396 1.00 0.00 O ATOM 0 H ASP A 66 4.092 -8.414 0.951 1.00 0.00 H new ATOM 0 HA ASP A 66 1.378 -8.266 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.756 -10.289 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.077 -10.431 2.049 1.00 0.00 H new ATOM 1018 N ALA A 67 2.260 -8.342 3.904 1.00 0.00 N ATOM 1019 CA ALA A 67 1.767 -8.113 5.259 1.00 0.00 C ATOM 1020 C ALA A 67 1.515 -6.631 5.520 1.00 0.00 C ATOM 1021 O ALA A 67 0.762 -6.271 6.426 1.00 0.00 O ATOM 1022 CB ALA A 67 2.751 -8.668 6.280 1.00 0.00 C ATOM 0 H ALA A 67 3.267 -8.492 3.840 1.00 0.00 H new ATOM 0 HA ALA A 67 0.816 -8.636 5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.371 -8.490 7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.873 -9.740 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.715 -8.172 6.164 1.00 0.00 H new ATOM 1028 N ALA A 68 2.153 -5.776 4.728 1.00 0.00 N ATOM 1029 CA ALA A 68 2.003 -4.332 4.880 1.00 0.00 C ATOM 1030 C ALA A 68 0.625 -3.859 4.427 1.00 0.00 C ATOM 1031 O ALA A 68 0.069 -2.917 4.991 1.00 0.00 O ATOM 1032 CB ALA A 68 3.089 -3.605 4.103 1.00 0.00 C ATOM 0 H ALA A 68 2.779 -6.057 3.974 1.00 0.00 H new ATOM 0 HA ALA A 68 2.103 -4.098 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.965 -2.529 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.067 -3.903 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.014 -3.861 3.046 1.00 0.00 H new ATOM 1038 N ASP A 69 0.079 -4.510 3.404 1.00 0.00 N ATOM 1039 CA ASP A 69 -1.232 -4.142 2.880 1.00 0.00 C ATOM 1040 C ASP A 69 -2.247 -5.262 3.097 1.00 0.00 C ATOM 1041 O ASP A 69 -2.001 -6.417 2.749 1.00 0.00 O ATOM 1042 CB ASP A 69 -1.128 -3.789 1.396 1.00 0.00 C ATOM 1043 CG ASP A 69 -2.469 -3.431 0.790 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -3.309 -4.339 0.627 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -2.684 -2.239 0.489 1.00 0.00 O ATOM 0 H ASP A 69 0.522 -5.292 2.923 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.583 -3.266 3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.442 -2.951 1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.702 -4.633 0.854 1.00 0.00 H new ATOM 1050 N ILE A 70 -3.383 -4.905 3.690 1.00 0.00 N ATOM 1051 CA ILE A 70 -4.444 -5.864 3.980 1.00 0.00 C ATOM 1052 C ILE A 70 -5.345 -6.100 2.766 1.00 0.00 C ATOM 1053 O ILE A 70 -5.940 -7.168 2.627 1.00 0.00 O ATOM 1054 CB ILE A 70 -5.292 -5.382 5.185 1.00 0.00 C ATOM 1055 CG1 ILE A 70 -6.341 -6.430 5.603 1.00 0.00 C ATOM 1056 CG2 ILE A 70 -5.957 -4.049 4.863 1.00 0.00 C ATOM 1057 CD1 ILE A 70 -7.622 -6.408 4.787 1.00 0.00 C ATOM 0 H ILE A 70 -3.593 -3.950 3.981 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.968 -6.812 4.230 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.619 -5.244 6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.895 -7.421 5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.592 -6.274 6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.549 -3.722 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.192 -3.304 4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.606 -4.166 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.300 -7.179 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.098 -5.432 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.389 -6.597 3.739 1.00 0.00 H new ATOM 1069 N ASP A 71 -5.447 -5.102 1.891 1.00 0.00 N ATOM 1070 CA ASP A 71 -6.289 -5.215 0.701 1.00 0.00 C ATOM 1071 C ASP A 71 -5.698 -6.176 -0.325 1.00 0.00 C ATOM 1072 O ASP A 71 -6.283 -6.381 -1.389 1.00 0.00 O ATOM 1073 CB ASP A 71 -6.493 -3.842 0.059 1.00 0.00 C ATOM 1074 CG ASP A 71 -7.218 -2.876 0.973 1.00 0.00 C ATOM 1075 OD1 ASP A 71 -8.351 -3.191 1.393 1.00 0.00 O ATOM 1076 OD2 ASP A 71 -6.654 -1.801 1.266 1.00 0.00 O ATOM 0 H ASP A 71 -4.960 -4.210 1.982 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.250 -5.614 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.524 -3.423 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.059 -3.957 -0.865 1.00 0.00 H new ATOM 1081 N LYS A 72 -4.541 -6.760 0.003 1.00 0.00 N ATOM 1082 CA LYS A 72 -3.852 -7.701 -0.882 1.00 0.00 C ATOM 1083 C LYS A 72 -4.047 -7.325 -2.348 1.00 0.00 C ATOM 1084 O LYS A 72 -4.185 -8.191 -3.213 1.00 0.00 O ATOM 1085 CB LYS A 72 -4.316 -9.143 -0.635 1.00 0.00 C ATOM 1086 CG LYS A 72 -5.805 -9.373 -0.845 1.00 0.00 C ATOM 1087 CD LYS A 72 -6.617 -9.011 0.389 1.00 0.00 C ATOM 1088 CE LYS A 72 -8.108 -9.180 0.144 1.00 0.00 C ATOM 1089 NZ LYS A 72 -8.914 -8.779 1.329 1.00 0.00 N ATOM 0 H LYS A 72 -4.058 -6.594 0.886 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.788 -7.642 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.762 -9.808 -1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.059 -9.424 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.148 -8.778 -1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.978 -10.419 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.311 -9.640 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.409 -7.980 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.405 -8.580 -0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.320 -10.220 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.925 -8.909 1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.649 -9.368 2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.732 -7.779 1.551 1.00 0.00 H new ATOM 1103 N SER A 73 -4.059 -6.024 -2.611 1.00 0.00 N ATOM 1104 CA SER A 73 -4.238 -5.512 -3.962 1.00 0.00 C ATOM 1105 C SER A 73 -2.890 -5.307 -4.638 1.00 0.00 C ATOM 1106 O SER A 73 -2.819 -4.911 -5.801 1.00 0.00 O ATOM 1107 CB SER A 73 -5.015 -4.194 -3.923 1.00 0.00 C ATOM 1108 OG SER A 73 -4.386 -3.252 -3.068 1.00 0.00 O ATOM 0 H SER A 73 -3.946 -5.301 -1.901 1.00 0.00 H new ATOM 0 HA SER A 73 -4.806 -6.242 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.089 -3.783 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.033 -4.379 -3.579 1.00 0.00 H new ATOM 0 HG SER A 73 -4.902 -2.419 -3.063 1.00 0.00 H new ATOM 1114 N GLY A 74 -1.822 -5.577 -3.894 1.00 0.00 N ATOM 1115 CA GLY A 74 -0.485 -5.412 -4.432 1.00 0.00 C ATOM 1116 C GLY A 74 0.006 -3.988 -4.291 1.00 0.00 C ATOM 1117 O GLY A 74 1.183 -3.700 -4.510 1.00 0.00 O ATOM 0 H GLY A 74 -1.859 -5.907 -2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.200 -6.085 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.479 -5.696 -5.484 1.00 0.00 H new ATOM 1121 N THR A 75 -0.906 -3.098 -3.915 1.00 0.00 N ATOM 1122 CA THR A 75 -0.579 -1.691 -3.731 1.00 0.00 C ATOM 1123 C THR A 75 -0.948 -1.253 -2.321 1.00 0.00 C ATOM 1124 O THR A 75 -2.078 -1.456 -1.879 1.00 0.00 O ATOM 1125 CB THR A 75 -1.325 -0.836 -4.758 1.00 0.00 C ATOM 1126 OG1 THR A 75 -0.967 -1.209 -6.077 1.00 0.00 O ATOM 1127 CG2 THR A 75 -1.059 0.647 -4.613 1.00 0.00 C ATOM 0 H THR A 75 -1.882 -3.329 -3.731 1.00 0.00 H new ATOM 0 HA THR A 75 0.493 -1.556 -3.876 1.00 0.00 H new ATOM 0 HB THR A 75 -2.383 -1.018 -4.568 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.456 -0.652 -6.718 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.619 1.193 -5.372 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.372 0.978 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.006 0.840 -4.739 1.00 0.00 H new ATOM 1135 N ILE A 76 0.007 -0.658 -1.616 1.00 0.00 N ATOM 1136 CA ILE A 76 -0.231 -0.207 -0.254 1.00 0.00 C ATOM 1137 C ILE A 76 -0.559 1.279 -0.202 1.00 0.00 C ATOM 1138 O ILE A 76 0.070 2.098 -0.882 1.00 0.00 O ATOM 1139 CB ILE A 76 0.980 -0.483 0.659 1.00 0.00 C ATOM 1140 CG1 ILE A 76 0.699 0.032 2.075 1.00 0.00 C ATOM 1141 CG2 ILE A 76 2.232 0.164 0.086 1.00 0.00 C ATOM 1142 CD1 ILE A 76 1.822 -0.226 3.057 1.00 0.00 C ATOM 0 H ILE A 76 0.949 -0.478 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.088 -0.775 0.108 1.00 0.00 H new ATOM 0 HB ILE A 76 1.147 -1.559 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.509 1.104 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.211 -0.438 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.079 -0.039 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.433 -0.245 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.083 1.241 0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.547 0.168 4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.999 -1.299 3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.730 0.267 2.709 1.00 0.00 H new ATOM 1154 N ASP A 77 -1.543 1.614 0.624 1.00 0.00 N ATOM 1155 CA ASP A 77 -1.965 2.993 0.800 1.00 0.00 C ATOM 1156 C ASP A 77 -1.802 3.407 2.257 1.00 0.00 C ATOM 1157 O ASP A 77 -1.403 2.602 3.096 1.00 0.00 O ATOM 1158 CB ASP A 77 -3.422 3.164 0.365 1.00 0.00 C ATOM 1159 CG ASP A 77 -3.636 2.796 -1.090 1.00 0.00 C ATOM 1160 OD1 ASP A 77 -3.372 1.630 -1.453 1.00 0.00 O ATOM 1161 OD2 ASP A 77 -4.069 3.673 -1.867 1.00 0.00 O ATOM 0 H ASP A 77 -2.065 0.941 1.185 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.338 3.632 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.061 2.543 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.727 4.198 0.524 1.00 0.00 H new ATOM 1166 N TYR A 78 -2.108 4.663 2.549 1.00 0.00 N ATOM 1167 CA TYR A 78 -1.993 5.186 3.906 1.00 0.00 C ATOM 1168 C TYR A 78 -2.825 4.359 4.884 1.00 0.00 C ATOM 1169 O TYR A 78 -2.461 4.209 6.050 1.00 0.00 O ATOM 1170 CB TYR A 78 -2.447 6.646 3.945 1.00 0.00 C ATOM 1171 CG TYR A 78 -2.196 7.330 5.270 1.00 0.00 C ATOM 1172 CD1 TYR A 78 -0.928 7.345 5.834 1.00 0.00 C ATOM 1173 CD2 TYR A 78 -3.224 7.969 5.951 1.00 0.00 C ATOM 1174 CE1 TYR A 78 -0.689 7.976 7.038 1.00 0.00 C ATOM 1175 CE2 TYR A 78 -2.995 8.605 7.156 1.00 0.00 C ATOM 1176 CZ TYR A 78 -1.725 8.606 7.695 1.00 0.00 C ATOM 1177 OH TYR A 78 -1.492 9.238 8.895 1.00 0.00 O ATOM 0 H TYR A 78 -2.439 5.342 1.863 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.947 5.124 4.206 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.931 7.198 3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.513 6.691 3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.114 6.854 5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.219 7.969 5.532 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.304 7.976 7.463 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.805 9.098 7.673 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.327 9.632 9.225 1.00 0.00 H new ATOM 1187 N GLY A 79 -3.947 3.835 4.400 1.00 0.00 N ATOM 1188 CA GLY A 79 -4.824 3.037 5.240 1.00 0.00 C ATOM 1189 C GLY A 79 -4.171 1.769 5.763 1.00 0.00 C ATOM 1190 O GLY A 79 -4.356 1.408 6.925 1.00 0.00 O ATOM 0 H GLY A 79 -4.266 3.949 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.154 3.641 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.715 2.770 4.672 1.00 0.00 H new ATOM 1194 N GLU A 80 -3.411 1.086 4.909 1.00 0.00 N ATOM 1195 CA GLU A 80 -2.742 -0.150 5.308 1.00 0.00 C ATOM 1196 C GLU A 80 -1.410 0.145 5.987 1.00 0.00 C ATOM 1197 O GLU A 80 -1.008 -0.553 6.919 1.00 0.00 O ATOM 1198 CB GLU A 80 -2.517 -1.064 4.099 1.00 0.00 C ATOM 1199 CG GLU A 80 -3.803 -1.554 3.448 1.00 0.00 C ATOM 1200 CD GLU A 80 -4.523 -0.470 2.670 1.00 0.00 C ATOM 1201 OE1 GLU A 80 -3.985 -0.026 1.633 1.00 0.00 O ATOM 1202 OE2 GLU A 80 -5.626 -0.065 3.097 1.00 0.00 O ATOM 0 H GLU A 80 -3.244 1.365 3.942 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.391 -0.661 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.926 -0.528 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.929 -1.926 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.572 -2.382 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.468 -1.944 4.219 1.00 0.00 H new ATOM 1209 N PHE A 81 -0.731 1.181 5.509 1.00 0.00 N ATOM 1210 CA PHE A 81 0.560 1.580 6.059 1.00 0.00 C ATOM 1211 C PHE A 81 0.488 1.753 7.575 1.00 0.00 C ATOM 1212 O PHE A 81 1.373 1.300 8.303 1.00 0.00 O ATOM 1213 CB PHE A 81 1.022 2.886 5.410 1.00 0.00 C ATOM 1214 CG PHE A 81 2.377 3.343 5.869 1.00 0.00 C ATOM 1215 CD1 PHE A 81 3.488 2.531 5.710 1.00 0.00 C ATOM 1216 CD2 PHE A 81 2.538 4.588 6.453 1.00 0.00 C ATOM 1217 CE1 PHE A 81 4.736 2.953 6.129 1.00 0.00 C ATOM 1218 CE2 PHE A 81 3.783 5.016 6.874 1.00 0.00 C ATOM 1219 CZ PHE A 81 4.884 4.197 6.711 1.00 0.00 C ATOM 0 H PHE A 81 -1.055 1.763 4.737 1.00 0.00 H new ATOM 0 HA PHE A 81 1.278 0.790 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.039 2.757 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.293 3.667 5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.378 1.558 5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.681 5.232 6.581 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.595 2.311 6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.895 5.989 7.330 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.858 4.529 7.038 1.00 0.00 H new ATOM 1229 N ILE A 82 -0.565 2.417 8.043 1.00 0.00 N ATOM 1230 CA ILE A 82 -0.749 2.657 9.472 1.00 0.00 C ATOM 1231 C ILE A 82 -1.317 1.426 10.175 1.00 0.00 C ATOM 1232 O ILE A 82 -0.974 1.142 11.324 1.00 0.00 O ATOM 1233 CB ILE A 82 -1.686 3.859 9.720 1.00 0.00 C ATOM 1234 CG1 ILE A 82 -1.836 4.126 11.221 1.00 0.00 C ATOM 1235 CG2 ILE A 82 -3.045 3.612 9.083 1.00 0.00 C ATOM 1236 CD1 ILE A 82 -0.537 4.495 11.906 1.00 0.00 C ATOM 0 H ILE A 82 -1.305 2.799 7.454 1.00 0.00 H new ATOM 0 HA ILE A 82 0.235 2.879 9.885 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.243 4.742 9.259 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.555 4.932 11.368 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.249 3.238 11.700 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.694 4.468 9.267 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.923 3.473 8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.493 2.718 9.516 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.721 4.669 12.966 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.179 3.681 11.791 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.132 5.401 11.454 1.00 0.00 H new