USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 756 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 42 SER OG : rot 180:sc= 0.14 USER MOD Set 1.2: A 44 GLN : amide:sc= -1.85! K(o=-1.7!,f=-0.55) USER MOD Set 2.1: A 37 CYS SG : rot 17:sc= 0.189 USER MOD Set 2.2: A 43 THR OG1 : rot -120:sc= -0.854 USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= -0.0307 (180deg=-1.14) USER MOD Single : A 33 ASN : amide:sc= -0.768 K(o=-0.77,f=-0.057) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= -0.176 (180deg=-2.1!) USER MOD Single : A 51 ASN : amide:sc= -1.94! C(o=-1.9!,f=-7.7!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.148 K(o=-0.15,f=-2!) USER MOD Single : A 60 HIS : no HE2:sc= -3.22! K(o=-3.2!,f=-2.7) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -0.0134 (180deg=-0.158) USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00859 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0906 USER MOD Single : A 75 THR OG1 : rot 40:sc= 0.348 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 138:sc= -3.79! (180deg=-4.44!) USER MOD Single : A 83 GLN : amide:sc=-0.00943 X(o=-0.0094,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.654 K(o=-0.65,f=0) USER MOD Single : A 92 SER OG : rot 27:sc= 0.288 USER MOD Single : A 96 HIS : no HD1:sc= 0.879 K(o=0.88,f=-3.9!) USER MOD Single : A 97 SER OG : rot 70:sc= 1.08 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 130:sc= -0.763 USER MOD Single : A 106 THR OG1 : rot -108:sc= 0.0209 USER MOD Single : A 109 LYS NZ :NH3+ -156:sc= -0.0873 (180deg=-0.454) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 341 N ALA A 24 -10.538 -17.411 4.151 1.00 0.00 N ATOM 342 CA ALA A 24 -9.102 -17.176 4.078 1.00 0.00 C ATOM 343 C ALA A 24 -8.783 -15.689 4.182 1.00 0.00 C ATOM 344 O ALA A 24 -8.009 -15.154 3.388 1.00 0.00 O ATOM 345 CB ALA A 24 -8.538 -17.750 2.786 1.00 0.00 C ATOM 0 HA ALA A 24 -8.633 -17.681 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.464 -17.567 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.725 -18.823 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.020 -17.271 1.934 1.00 0.00 H new ATOM 351 N ILE A 25 -9.384 -15.027 5.165 1.00 0.00 N ATOM 352 CA ILE A 25 -9.163 -13.601 5.372 1.00 0.00 C ATOM 353 C ILE A 25 -7.691 -13.306 5.636 1.00 0.00 C ATOM 354 O ILE A 25 -6.927 -14.193 6.020 1.00 0.00 O ATOM 355 CB ILE A 25 -10.001 -13.066 6.548 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.447 -13.555 6.436 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.952 -11.546 6.586 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.112 -13.181 5.130 1.00 0.00 C ATOM 0 H ILE A 25 -10.028 -15.455 5.830 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.474 -13.097 4.457 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.579 -13.447 7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.465 -14.639 6.546 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.027 -13.141 7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.549 -11.184 7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.920 -11.218 6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.352 -11.146 5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.134 -13.560 5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.126 -12.096 5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.556 -13.617 4.300 1.00 0.00 H new ATOM 370 N LEU A 26 -7.298 -12.054 5.429 1.00 0.00 N ATOM 371 CA LEU A 26 -5.916 -11.639 5.646 1.00 0.00 C ATOM 372 C LEU A 26 -5.851 -10.421 6.561 1.00 0.00 C ATOM 373 O LEU A 26 -6.880 -9.892 6.982 1.00 0.00 O ATOM 374 CB LEU A 26 -5.241 -11.325 4.310 1.00 0.00 C ATOM 375 CG LEU A 26 -4.632 -12.516 3.569 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.493 -13.120 4.374 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.697 -13.564 3.278 1.00 0.00 C ATOM 0 H LEU A 26 -7.917 -11.308 5.111 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.387 -12.461 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.975 -10.853 3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.454 -10.592 4.487 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.230 -12.162 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.072 -13.966 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.719 -12.368 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.869 -13.459 5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.246 -14.404 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.129 -13.914 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.480 -13.125 2.659 1.00 0.00 H new ATOM 389 N ASP A 27 -4.635 -9.979 6.863 1.00 0.00 N ATOM 390 CA ASP A 27 -4.435 -8.820 7.726 1.00 0.00 C ATOM 391 C ASP A 27 -3.725 -7.699 6.973 1.00 0.00 C ATOM 392 O ASP A 27 -2.510 -7.741 6.778 1.00 0.00 O ATOM 393 CB ASP A 27 -3.626 -9.212 8.963 1.00 0.00 C ATOM 394 CG ASP A 27 -3.154 -8.007 9.752 1.00 0.00 C ATOM 395 OD1 ASP A 27 -2.298 -7.259 9.237 1.00 0.00 O ATOM 396 OD2 ASP A 27 -3.641 -7.812 10.886 1.00 0.00 O ATOM 0 H ASP A 27 -3.773 -10.405 6.523 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.414 -8.459 8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.235 -9.847 9.606 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.763 -9.803 8.657 1.00 0.00 H new ATOM 401 N PHE A 28 -4.491 -6.698 6.552 1.00 0.00 N ATOM 402 CA PHE A 28 -3.936 -5.566 5.819 1.00 0.00 C ATOM 403 C PHE A 28 -4.408 -4.245 6.420 1.00 0.00 C ATOM 404 O PHE A 28 -5.574 -4.078 6.777 1.00 0.00 O ATOM 405 CB PHE A 28 -4.337 -5.641 4.345 1.00 0.00 C ATOM 406 CG PHE A 28 -3.472 -6.564 3.535 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.710 -7.929 3.528 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.422 -6.067 2.779 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.916 -8.781 2.784 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.625 -6.914 2.033 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.873 -8.273 2.035 1.00 0.00 C ATOM 0 H PHE A 28 -5.498 -6.648 6.706 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.850 -5.612 5.896 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.373 -5.972 4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.292 -4.641 3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.525 -8.332 4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.224 -5.005 2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.111 -9.843 2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.809 -6.514 1.449 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.252 -8.937 1.452 1.00 0.00 H new ATOM 421 N PRO A 29 -3.480 -3.284 6.536 1.00 0.00 N ATOM 422 CA PRO A 29 -3.776 -1.961 7.093 1.00 0.00 C ATOM 423 C PRO A 29 -4.663 -1.129 6.173 1.00 0.00 C ATOM 424 O PRO A 29 -4.730 -1.377 4.969 1.00 0.00 O ATOM 425 CB PRO A 29 -2.394 -1.316 7.229 1.00 0.00 C ATOM 426 CG PRO A 29 -1.553 -2.004 6.211 1.00 0.00 C ATOM 427 CD PRO A 29 -2.070 -3.414 6.131 1.00 0.00 C ATOM 0 HA PRO A 29 -4.325 -2.028 8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.438 -0.242 7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.991 -1.452 8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.626 -1.506 5.244 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.502 -1.990 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.977 -3.819 5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.521 -4.082 6.795 1.00 0.00 H new ATOM 435 N ASP A 30 -5.343 -0.143 6.747 1.00 0.00 N ATOM 436 CA ASP A 30 -6.226 0.726 5.977 1.00 0.00 C ATOM 437 C ASP A 30 -5.448 1.473 4.898 1.00 0.00 C ATOM 438 O ASP A 30 -5.903 1.595 3.761 1.00 0.00 O ATOM 439 CB ASP A 30 -6.926 1.724 6.901 1.00 0.00 C ATOM 440 CG ASP A 30 -8.274 2.163 6.363 1.00 0.00 C ATOM 441 OD1 ASP A 30 -8.566 1.871 5.184 1.00 0.00 O ATOM 442 OD2 ASP A 30 -9.037 2.797 7.121 1.00 0.00 O ATOM 0 H ASP A 30 -5.300 0.075 7.743 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.977 0.102 5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.060 1.273 7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.289 2.598 7.036 1.00 0.00 H new ATOM 447 N LYS A 31 -4.271 1.972 5.263 1.00 0.00 N ATOM 448 CA LYS A 31 -3.429 2.707 4.327 1.00 0.00 C ATOM 449 C LYS A 31 -1.979 2.727 4.801 1.00 0.00 C ATOM 450 O LYS A 31 -1.703 2.594 5.994 1.00 0.00 O ATOM 451 CB LYS A 31 -3.942 4.139 4.163 1.00 0.00 C ATOM 452 CG LYS A 31 -3.992 4.921 5.465 1.00 0.00 C ATOM 453 CD LYS A 31 -3.983 6.419 5.216 1.00 0.00 C ATOM 454 CE LYS A 31 -5.393 6.964 5.039 1.00 0.00 C ATOM 455 NZ LYS A 31 -5.942 6.652 3.690 1.00 0.00 N ATOM 0 H LYS A 31 -3.879 1.880 6.200 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.472 2.200 3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.301 4.667 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.941 4.110 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.890 4.649 6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.139 4.649 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.499 6.925 6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.393 6.637 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.045 6.541 5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.387 8.044 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.670 7.352 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.176 6.684 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.364 5.702 3.698 1.00 0.00 H new ATOM 469 N LEU A 32 -1.056 2.895 3.860 1.00 0.00 N ATOM 470 CA LEU A 32 0.366 2.934 4.181 1.00 0.00 C ATOM 471 C LEU A 32 0.929 4.339 3.993 1.00 0.00 C ATOM 472 O LEU A 32 1.035 4.830 2.870 1.00 0.00 O ATOM 473 CB LEU A 32 1.135 1.943 3.305 1.00 0.00 C ATOM 474 CG LEU A 32 2.376 1.311 3.937 1.00 0.00 C ATOM 475 CD1 LEU A 32 2.719 0.001 3.245 1.00 0.00 C ATOM 476 CD2 LEU A 32 3.554 2.273 3.874 1.00 0.00 C ATOM 0 H LEU A 32 -1.267 3.006 2.868 1.00 0.00 H new ATOM 0 HA LEU A 32 0.484 2.652 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.454 1.144 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.438 2.455 2.392 1.00 0.00 H new ATOM 0 HG LEU A 32 2.160 1.099 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.605 -0.434 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.882 -0.691 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.916 0.188 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.429 1.807 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.771 2.515 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.307 3.186 4.415 1.00 0.00 H new ATOM 488 N ASN A 33 1.290 4.980 5.100 1.00 0.00 N ATOM 489 CA ASN A 33 1.843 6.328 5.057 1.00 0.00 C ATOM 490 C ASN A 33 3.366 6.289 4.975 1.00 0.00 C ATOM 491 O ASN A 33 4.044 6.000 5.962 1.00 0.00 O ATOM 492 CB ASN A 33 1.408 7.121 6.291 1.00 0.00 C ATOM 493 CG ASN A 33 0.060 7.790 6.102 1.00 0.00 C ATOM 494 OD1 ASN A 33 -0.053 8.795 5.400 1.00 0.00 O ATOM 495 ND2 ASN A 33 -0.969 7.235 6.731 1.00 0.00 N ATOM 0 H ASN A 33 1.209 4.587 6.038 1.00 0.00 H new ATOM 0 HA ASN A 33 1.461 6.821 4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.362 6.453 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.158 7.879 6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.900 7.642 6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.828 6.402 7.302 1.00 0.00 H new ATOM 502 N PHE A 34 3.898 6.581 3.793 1.00 0.00 N ATOM 503 CA PHE A 34 5.341 6.579 3.582 1.00 0.00 C ATOM 504 C PHE A 34 5.969 7.868 4.103 1.00 0.00 C ATOM 505 O PHE A 34 5.759 8.944 3.542 1.00 0.00 O ATOM 506 CB PHE A 34 5.660 6.407 2.095 1.00 0.00 C ATOM 507 CG PHE A 34 5.844 4.974 1.683 1.00 0.00 C ATOM 508 CD1 PHE A 34 4.748 4.158 1.455 1.00 0.00 C ATOM 509 CD2 PHE A 34 7.114 4.443 1.525 1.00 0.00 C ATOM 510 CE1 PHE A 34 4.914 2.840 1.076 1.00 0.00 C ATOM 511 CE2 PHE A 34 7.286 3.125 1.145 1.00 0.00 C ATOM 512 CZ PHE A 34 6.185 2.323 0.921 1.00 0.00 C ATOM 0 H PHE A 34 3.351 6.822 2.966 1.00 0.00 H new ATOM 0 HA PHE A 34 5.763 5.741 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.855 6.846 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.567 6.964 1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.752 4.557 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.979 5.066 1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.051 2.215 0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.281 2.723 1.023 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.317 1.293 0.625 1.00 0.00 H new ATOM 522 N SER A 35 6.739 7.751 5.180 1.00 0.00 N ATOM 523 CA SER A 35 7.394 8.907 5.780 1.00 0.00 C ATOM 524 C SER A 35 8.179 9.691 4.732 1.00 0.00 C ATOM 525 O SER A 35 8.247 9.299 3.567 1.00 0.00 O ATOM 526 CB SER A 35 8.328 8.463 6.907 1.00 0.00 C ATOM 527 OG SER A 35 7.652 7.626 7.829 1.00 0.00 O ATOM 0 H SER A 35 6.924 6.867 5.655 1.00 0.00 H new ATOM 0 HA SER A 35 6.623 9.557 6.193 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.182 7.932 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.720 9.338 7.425 1.00 0.00 H new ATOM 0 HG SER A 35 8.271 7.354 8.539 1.00 0.00 H new ATOM 533 N THR A 36 8.773 10.803 5.156 1.00 0.00 N ATOM 534 CA THR A 36 9.552 11.644 4.256 1.00 0.00 C ATOM 535 C THR A 36 10.599 10.826 3.509 1.00 0.00 C ATOM 536 O THR A 36 11.425 10.147 4.122 1.00 0.00 O ATOM 537 CB THR A 36 10.256 12.782 5.020 1.00 0.00 C ATOM 538 OG1 THR A 36 9.378 13.320 6.014 1.00 0.00 O ATOM 539 CG2 THR A 36 10.688 13.886 4.067 1.00 0.00 C ATOM 0 H THR A 36 8.729 11.142 6.117 1.00 0.00 H new ATOM 0 HA THR A 36 8.852 12.075 3.540 1.00 0.00 H new ATOM 0 HB THR A 36 11.143 12.372 5.503 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.833 14.041 6.496 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.183 14.679 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.379 13.479 3.328 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.813 14.292 3.560 1.00 0.00 H new ATOM 547 N CYS A 37 10.561 10.895 2.183 1.00 0.00 N ATOM 548 CA CYS A 37 11.507 10.160 1.351 1.00 0.00 C ATOM 549 C CYS A 37 11.968 11.010 0.171 1.00 0.00 C ATOM 550 O CYS A 37 11.316 11.977 -0.221 1.00 0.00 O ATOM 551 CB CYS A 37 10.873 8.863 0.845 1.00 0.00 C ATOM 552 SG CYS A 37 10.868 7.522 2.057 1.00 0.00 S ATOM 0 H CYS A 37 9.885 11.453 1.661 1.00 0.00 H new ATOM 0 HA CYS A 37 12.377 9.916 1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.846 9.067 0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.409 8.532 -0.045 1.00 0.00 H new ATOM 0 HG CYS A 37 11.073 8.010 3.245 1.00 0.00 H new ATOM 558 N PRO A 38 13.120 10.642 -0.408 1.00 0.00 N ATOM 559 CA PRO A 38 13.695 11.358 -1.551 1.00 0.00 C ATOM 560 C PRO A 38 12.880 11.167 -2.825 1.00 0.00 C ATOM 561 O PRO A 38 12.454 10.055 -3.141 1.00 0.00 O ATOM 562 CB PRO A 38 15.082 10.728 -1.704 1.00 0.00 C ATOM 563 CG PRO A 38 14.946 9.367 -1.112 1.00 0.00 C ATOM 564 CD PRO A 38 13.951 9.499 0.007 1.00 0.00 C ATOM 0 HA PRO A 38 13.717 12.435 -1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.380 10.676 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.842 11.312 -1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.602 8.650 -1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.905 9.005 -0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.357 8.593 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.443 9.685 0.962 1.00 0.00 H new ATOM 572 N VAL A 39 12.665 12.257 -3.555 1.00 0.00 N ATOM 573 CA VAL A 39 11.902 12.208 -4.796 1.00 0.00 C ATOM 574 C VAL A 39 12.582 11.313 -5.825 1.00 0.00 C ATOM 575 O VAL A 39 12.038 10.284 -6.227 1.00 0.00 O ATOM 576 CB VAL A 39 11.718 13.614 -5.397 1.00 0.00 C ATOM 577 CG1 VAL A 39 13.037 14.372 -5.398 1.00 0.00 C ATOM 578 CG2 VAL A 39 11.146 13.521 -6.804 1.00 0.00 C ATOM 0 H VAL A 39 13.009 13.185 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 39 10.924 11.795 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 39 11.011 14.165 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.887 15.363 -5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.401 14.470 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.770 13.827 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.022 14.524 -7.214 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.827 12.952 -7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.178 13.021 -6.771 1.00 0.00 H new ATOM 588 N LYS A 40 13.778 11.710 -6.248 1.00 0.00 N ATOM 589 CA LYS A 40 14.536 10.943 -7.230 1.00 0.00 C ATOM 590 C LYS A 40 14.803 9.528 -6.727 1.00 0.00 C ATOM 591 O LYS A 40 14.315 8.553 -7.298 1.00 0.00 O ATOM 592 CB LYS A 40 15.860 11.643 -7.542 1.00 0.00 C ATOM 593 CG LYS A 40 15.822 12.480 -8.809 1.00 0.00 C ATOM 594 CD LYS A 40 15.099 13.798 -8.586 1.00 0.00 C ATOM 595 CE LYS A 40 15.944 14.765 -7.770 1.00 0.00 C ATOM 596 NZ LYS A 40 16.914 15.507 -8.621 1.00 0.00 N ATOM 0 H LYS A 40 14.243 12.559 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 40 13.942 10.879 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.130 12.283 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.645 10.892 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.839 12.675 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.324 11.920 -9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.856 14.248 -9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.155 13.614 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.293 15.474 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.484 14.215 -6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.471 16.155 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.552 14.832 -9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.398 16.053 -9.341 1.00 0.00 H new ATOM 610 N TYR A 41 15.579 9.424 -5.654 1.00 0.00 N ATOM 611 CA TYR A 41 15.912 8.128 -5.074 1.00 0.00 C ATOM 612 C TYR A 41 14.652 7.308 -4.814 1.00 0.00 C ATOM 613 O TYR A 41 13.601 7.853 -4.476 1.00 0.00 O ATOM 614 CB TYR A 41 16.691 8.313 -3.771 1.00 0.00 C ATOM 615 CG TYR A 41 18.041 8.968 -3.961 1.00 0.00 C ATOM 616 CD1 TYR A 41 19.013 8.380 -4.761 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.344 10.173 -3.340 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.248 8.974 -4.936 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.575 10.775 -3.511 1.00 0.00 C ATOM 620 CZ TYR A 41 20.524 10.172 -4.310 1.00 0.00 C ATOM 621 OH TYR A 41 21.752 10.768 -4.482 1.00 0.00 O ATOM 0 H TYR A 41 15.989 10.221 -5.168 1.00 0.00 H new ATOM 0 HA TYR A 41 16.535 7.589 -5.788 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.097 8.917 -3.085 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.831 7.340 -3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.800 7.443 -5.254 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.604 10.647 -2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.993 8.503 -5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.793 11.713 -3.022 1.00 0.00 H new ATOM 0 HH TYR A 41 21.783 11.606 -3.974 1.00 0.00 H new ATOM 631 N SER A 42 14.765 5.993 -4.973 1.00 0.00 N ATOM 632 CA SER A 42 13.636 5.096 -4.759 1.00 0.00 C ATOM 633 C SER A 42 13.441 4.813 -3.272 1.00 0.00 C ATOM 634 O SER A 42 14.377 4.922 -2.479 1.00 0.00 O ATOM 635 CB SER A 42 13.848 3.784 -5.516 1.00 0.00 C ATOM 636 OG SER A 42 14.928 3.048 -4.968 1.00 0.00 O ATOM 0 H SER A 42 15.628 5.525 -5.250 1.00 0.00 H new ATOM 0 HA SER A 42 12.739 5.585 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.938 3.186 -5.475 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.044 3.995 -6.567 1.00 0.00 H new ATOM 0 HG SER A 42 15.042 2.213 -5.468 1.00 0.00 H new ATOM 642 N THR A 43 12.218 4.449 -2.901 1.00 0.00 N ATOM 643 CA THR A 43 11.898 4.152 -1.511 1.00 0.00 C ATOM 644 C THR A 43 11.363 2.732 -1.361 1.00 0.00 C ATOM 645 O THR A 43 10.651 2.233 -2.233 1.00 0.00 O ATOM 646 CB THR A 43 10.860 5.141 -0.948 1.00 0.00 C ATOM 647 OG1 THR A 43 11.434 6.449 -0.848 1.00 0.00 O ATOM 648 CG2 THR A 43 10.369 4.691 0.419 1.00 0.00 C ATOM 0 H THR A 43 11.432 4.353 -3.544 1.00 0.00 H new ATOM 0 HA THR A 43 12.825 4.250 -0.946 1.00 0.00 H new ATOM 0 HB THR A 43 10.010 5.169 -1.630 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.414 6.745 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.637 5.405 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.906 3.708 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.211 4.637 1.109 1.00 0.00 H new ATOM 656 N GLN A 44 11.709 2.087 -0.252 1.00 0.00 N ATOM 657 CA GLN A 44 11.262 0.724 0.010 1.00 0.00 C ATOM 658 C GLN A 44 10.588 0.625 1.375 1.00 0.00 C ATOM 659 O GLN A 44 10.867 1.417 2.276 1.00 0.00 O ATOM 660 CB GLN A 44 12.444 -0.244 -0.060 1.00 0.00 C ATOM 661 CG GLN A 44 12.891 -0.558 -1.479 1.00 0.00 C ATOM 662 CD GLN A 44 13.847 0.480 -2.032 1.00 0.00 C ATOM 663 OE1 GLN A 44 15.038 0.473 -1.720 1.00 0.00 O ATOM 664 NE2 GLN A 44 13.329 1.380 -2.860 1.00 0.00 N ATOM 0 H GLN A 44 12.297 2.486 0.479 1.00 0.00 H new ATOM 0 HA GLN A 44 10.534 0.453 -0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.283 0.180 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.172 -1.173 0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.372 -1.536 -1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.016 -0.622 -2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.336 1.348 -3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.924 2.103 -3.265 1.00 0.00 H new ATOM 673 N LYS A 45 9.700 -0.352 1.521 1.00 0.00 N ATOM 674 CA LYS A 45 8.986 -0.556 2.775 1.00 0.00 C ATOM 675 C LYS A 45 8.542 -2.008 2.919 1.00 0.00 C ATOM 676 O LYS A 45 8.322 -2.701 1.924 1.00 0.00 O ATOM 677 CB LYS A 45 7.770 0.370 2.850 1.00 0.00 C ATOM 678 CG LYS A 45 7.270 0.605 4.266 1.00 0.00 C ATOM 679 CD LYS A 45 7.882 1.856 4.872 1.00 0.00 C ATOM 680 CE LYS A 45 7.076 3.097 4.521 1.00 0.00 C ATOM 681 NZ LYS A 45 7.793 4.348 4.894 1.00 0.00 N ATOM 0 H LYS A 45 9.457 -1.016 0.785 1.00 0.00 H new ATOM 0 HA LYS A 45 9.666 -0.320 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.026 1.329 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.962 -0.056 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.184 0.697 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.513 -0.258 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.934 1.749 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.905 1.972 4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.867 3.104 3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.115 3.063 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.245 4.860 5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.730 4.110 5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.905 4.948 4.052 1.00 0.00 H new ATOM 695 N ILE A 46 8.411 -2.462 4.160 1.00 0.00 N ATOM 696 CA ILE A 46 7.991 -3.832 4.432 1.00 0.00 C ATOM 697 C ILE A 46 6.580 -3.869 5.009 1.00 0.00 C ATOM 698 O ILE A 46 6.183 -2.982 5.765 1.00 0.00 O ATOM 699 CB ILE A 46 8.953 -4.532 5.411 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.370 -4.559 4.836 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.469 -5.943 5.710 1.00 0.00 C ATOM 702 CD1 ILE A 46 10.486 -5.350 3.552 1.00 0.00 C ATOM 0 H ILE A 46 8.589 -1.902 4.994 1.00 0.00 H new ATOM 0 HA ILE A 46 8.006 -4.362 3.480 1.00 0.00 H new ATOM 0 HB ILE A 46 8.971 -3.970 6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.699 -3.536 4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.046 -4.984 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.159 -6.425 6.403 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.476 -5.900 6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.425 -6.516 4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.518 -5.326 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.188 -6.383 3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.836 -4.912 2.795 1.00 0.00 H new ATOM 714 N LEU A 47 5.827 -4.903 4.649 1.00 0.00 N ATOM 715 CA LEU A 47 4.460 -5.058 5.132 1.00 0.00 C ATOM 716 C LEU A 47 4.217 -6.479 5.633 1.00 0.00 C ATOM 717 O LEU A 47 4.029 -7.404 4.841 1.00 0.00 O ATOM 718 CB LEU A 47 3.464 -4.719 4.022 1.00 0.00 C ATOM 719 CG LEU A 47 2.064 -5.317 4.170 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.339 -4.691 5.352 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.264 -5.126 2.890 1.00 0.00 C ATOM 0 H LEU A 47 6.140 -5.646 4.024 1.00 0.00 H new ATOM 0 HA LEU A 47 4.315 -4.369 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.370 -3.635 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.881 -5.053 3.072 1.00 0.00 H new ATOM 0 HG LEU A 47 2.164 -6.386 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.345 -5.128 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.903 -4.880 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.250 -3.616 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.271 -5.558 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.173 -4.062 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.775 -5.622 2.064 1.00 0.00 H new ATOM 733 N LEU A 48 4.220 -6.645 6.950 1.00 0.00 N ATOM 734 CA LEU A 48 3.998 -7.953 7.557 1.00 0.00 C ATOM 735 C LEU A 48 2.524 -8.341 7.491 1.00 0.00 C ATOM 736 O LEU A 48 1.669 -7.674 8.073 1.00 0.00 O ATOM 737 CB LEU A 48 4.471 -7.949 9.012 1.00 0.00 C ATOM 738 CG LEU A 48 4.605 -9.319 9.678 1.00 0.00 C ATOM 739 CD1 LEU A 48 3.273 -10.053 9.661 1.00 0.00 C ATOM 740 CD2 LEU A 48 5.679 -10.146 8.987 1.00 0.00 C ATOM 0 H LEU A 48 4.374 -5.890 7.619 1.00 0.00 H new ATOM 0 HA LEU A 48 4.574 -8.689 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.439 -7.449 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.775 -7.349 9.598 1.00 0.00 H new ATOM 0 HG LEU A 48 4.902 -9.169 10.716 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.388 -11.026 10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.529 -9.468 10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.947 -10.191 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.760 -11.117 9.475 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.412 -10.287 7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.635 -9.627 9.051 1.00 0.00 H new ATOM 752 N VAL A 49 2.235 -9.425 6.778 1.00 0.00 N ATOM 753 CA VAL A 49 0.865 -9.904 6.638 1.00 0.00 C ATOM 754 C VAL A 49 0.645 -11.183 7.439 1.00 0.00 C ATOM 755 O VAL A 49 1.432 -12.126 7.349 1.00 0.00 O ATOM 756 CB VAL A 49 0.511 -10.168 5.162 1.00 0.00 C ATOM 757 CG1 VAL A 49 -0.942 -10.600 5.030 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.787 -8.933 4.319 1.00 0.00 C ATOM 0 H VAL A 49 2.931 -9.988 6.289 1.00 0.00 H new ATOM 0 HA VAL A 49 0.214 -9.120 7.025 1.00 0.00 H new ATOM 0 HB VAL A 49 1.141 -10.978 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.174 -10.782 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.103 -11.514 5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.592 -9.813 5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.531 -9.138 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.184 -8.101 4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.843 -8.674 4.388 1.00 0.00 H new ATOM 768 N ARG A 50 -0.429 -11.208 8.220 1.00 0.00 N ATOM 769 CA ARG A 50 -0.752 -12.370 9.038 1.00 0.00 C ATOM 770 C ARG A 50 -2.089 -12.974 8.620 1.00 0.00 C ATOM 771 O ARG A 50 -3.113 -12.292 8.608 1.00 0.00 O ATOM 772 CB ARG A 50 -0.795 -11.984 10.518 1.00 0.00 C ATOM 773 CG ARG A 50 -1.112 -13.148 11.442 1.00 0.00 C ATOM 774 CD ARG A 50 -1.787 -12.676 12.721 1.00 0.00 C ATOM 775 NE ARG A 50 -1.871 -13.739 13.719 1.00 0.00 N ATOM 776 CZ ARG A 50 -1.200 -13.724 14.866 1.00 0.00 C ATOM 777 NH1 ARG A 50 -0.400 -12.707 15.157 1.00 0.00 N ATOM 778 NH2 ARG A 50 -1.328 -14.728 15.724 1.00 0.00 N ATOM 0 H ARG A 50 -1.091 -10.436 8.304 1.00 0.00 H new ATOM 0 HA ARG A 50 0.028 -13.116 8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.167 -11.558 10.802 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.543 -11.204 10.660 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.761 -13.857 10.927 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.193 -13.679 11.689 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.232 -11.834 13.134 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.789 -12.315 12.490 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.477 -14.536 13.525 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.299 -11.934 14.500 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.114 -12.698 16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.942 -15.512 15.503 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.813 -14.716 16.604 1.00 0.00 H new ATOM 792 N ASN A 51 -2.072 -14.259 8.278 1.00 0.00 N ATOM 793 CA ASN A 51 -3.283 -14.954 7.858 1.00 0.00 C ATOM 794 C ASN A 51 -4.258 -15.099 9.023 1.00 0.00 C ATOM 795 O ASN A 51 -4.025 -15.878 9.947 1.00 0.00 O ATOM 796 CB ASN A 51 -2.935 -16.334 7.295 1.00 0.00 C ATOM 797 CG ASN A 51 -4.083 -16.948 6.518 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.208 -17.030 7.013 1.00 0.00 O ATOM 799 ND2 ASN A 51 -3.804 -17.383 5.295 1.00 0.00 N ATOM 0 H ASN A 51 -1.233 -14.839 8.284 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.761 -14.361 7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.064 -16.249 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.658 -16.998 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.536 -17.806 4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.857 -17.294 4.926 1.00 0.00 H new ATOM 806 N ILE A 52 -5.351 -14.345 8.970 1.00 0.00 N ATOM 807 CA ILE A 52 -6.362 -14.391 10.019 1.00 0.00 C ATOM 808 C ILE A 52 -7.605 -15.141 9.551 1.00 0.00 C ATOM 809 O ILE A 52 -8.665 -15.053 10.170 1.00 0.00 O ATOM 810 CB ILE A 52 -6.769 -12.976 10.471 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.321 -12.178 9.288 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.582 -12.258 11.094 1.00 0.00 C ATOM 813 CD1 ILE A 52 -7.961 -10.868 9.689 1.00 0.00 C ATOM 0 H ILE A 52 -5.559 -13.695 8.212 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.918 -14.919 10.863 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.553 -13.062 11.224 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.512 -11.978 8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.056 -12.786 8.761 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.885 -11.259 11.409 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.230 -12.820 11.959 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.779 -12.180 10.361 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.330 -10.356 8.800 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.792 -11.062 10.367 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.223 -10.241 10.189 1.00 0.00 H new ATOM 825 N GLY A 53 -7.467 -15.880 8.455 1.00 0.00 N ATOM 826 CA GLY A 53 -8.586 -16.636 7.924 1.00 0.00 C ATOM 827 C GLY A 53 -8.649 -18.045 8.479 1.00 0.00 C ATOM 828 O GLY A 53 -7.940 -18.378 9.427 1.00 0.00 O ATOM 0 H GLY A 53 -6.600 -15.969 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.515 -16.115 8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.508 -16.680 6.838 1.00 0.00 H new ATOM 832 N ASN A 54 -9.502 -18.875 7.887 1.00 0.00 N ATOM 833 CA ASN A 54 -9.657 -20.256 8.330 1.00 0.00 C ATOM 834 C ASN A 54 -8.792 -21.195 7.495 1.00 0.00 C ATOM 835 O ASN A 54 -8.170 -22.118 8.022 1.00 0.00 O ATOM 836 CB ASN A 54 -11.124 -20.681 8.241 1.00 0.00 C ATOM 837 CG ASN A 54 -12.067 -19.616 8.768 1.00 0.00 C ATOM 838 OD1 ASN A 54 -12.329 -19.542 9.969 1.00 0.00 O ATOM 839 ND2 ASN A 54 -12.584 -18.786 7.869 1.00 0.00 N ATOM 0 H ASN A 54 -10.096 -18.615 7.100 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.331 -20.317 9.368 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.373 -20.902 7.203 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.268 -21.602 8.806 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.226 -18.050 8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.339 -18.884 6.884 1.00 0.00 H new ATOM 846 N LYS A 55 -8.757 -20.954 6.189 1.00 0.00 N ATOM 847 CA LYS A 55 -7.967 -21.775 5.280 1.00 0.00 C ATOM 848 C LYS A 55 -6.962 -20.924 4.511 1.00 0.00 C ATOM 849 O LYS A 55 -6.963 -19.699 4.617 1.00 0.00 O ATOM 850 CB LYS A 55 -8.883 -22.512 4.299 1.00 0.00 C ATOM 851 CG LYS A 55 -8.277 -23.788 3.742 1.00 0.00 C ATOM 852 CD LYS A 55 -9.344 -24.715 3.186 1.00 0.00 C ATOM 853 CE LYS A 55 -9.927 -24.179 1.887 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.588 -25.251 1.091 1.00 0.00 N ATOM 0 H LYS A 55 -9.267 -20.196 5.736 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.418 -22.505 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.820 -22.754 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.128 -21.845 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.564 -23.540 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.721 -24.301 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.916 -25.702 3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.140 -24.837 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.650 -23.394 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.134 -23.723 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.972 -24.845 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.893 -25.988 0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.361 -25.669 1.647 1.00 0.00 H new ATOM 868 N ASN A 56 -6.106 -21.582 3.736 1.00 0.00 N ATOM 869 CA ASN A 56 -5.096 -20.885 2.948 1.00 0.00 C ATOM 870 C ASN A 56 -5.729 -19.782 2.105 1.00 0.00 C ATOM 871 O ASN A 56 -6.771 -19.984 1.483 1.00 0.00 O ATOM 872 CB ASN A 56 -4.354 -21.871 2.044 1.00 0.00 C ATOM 873 CG ASN A 56 -5.154 -22.238 0.809 1.00 0.00 C ATOM 874 OD1 ASN A 56 -6.122 -22.995 0.885 1.00 0.00 O ATOM 875 ND2 ASN A 56 -4.752 -21.701 -0.337 1.00 0.00 N ATOM 0 H ASN A 56 -6.092 -22.597 3.637 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.385 -20.429 3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.402 -21.436 1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.126 -22.776 2.608 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.251 -21.911 -1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.944 -21.079 -0.353 1.00 0.00 H new ATOM 882 N ALA A 57 -5.091 -18.616 2.091 1.00 0.00 N ATOM 883 CA ALA A 57 -5.590 -17.483 1.322 1.00 0.00 C ATOM 884 C ALA A 57 -4.736 -17.242 0.082 1.00 0.00 C ATOM 885 O ALA A 57 -3.513 -17.371 0.123 1.00 0.00 O ATOM 886 CB ALA A 57 -5.628 -16.233 2.190 1.00 0.00 C ATOM 0 H ALA A 57 -4.228 -18.432 2.603 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.603 -17.716 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.003 -15.394 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.286 -16.402 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.623 -16.007 2.546 1.00 0.00 H new ATOM 892 N VAL A 58 -5.390 -16.892 -1.022 1.00 0.00 N ATOM 893 CA VAL A 58 -4.691 -16.633 -2.275 1.00 0.00 C ATOM 894 C VAL A 58 -4.998 -15.234 -2.796 1.00 0.00 C ATOM 895 O VAL A 58 -6.110 -14.957 -3.245 1.00 0.00 O ATOM 896 CB VAL A 58 -5.070 -17.666 -3.353 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.312 -17.394 -4.643 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.802 -19.078 -2.855 1.00 0.00 C ATOM 0 H VAL A 58 -6.403 -16.781 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.624 -16.713 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.136 -17.575 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.593 -18.134 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.559 -16.397 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.240 -17.456 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.075 -19.795 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.743 -19.186 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.395 -19.267 -1.960 1.00 0.00 H new ATOM 908 N PHE A 59 -4.004 -14.354 -2.735 1.00 0.00 N ATOM 909 CA PHE A 59 -4.167 -12.982 -3.200 1.00 0.00 C ATOM 910 C PHE A 59 -3.191 -12.672 -4.332 1.00 0.00 C ATOM 911 O PHE A 59 -2.188 -13.364 -4.509 1.00 0.00 O ATOM 912 CB PHE A 59 -3.955 -12.000 -2.046 1.00 0.00 C ATOM 913 CG PHE A 59 -2.627 -12.156 -1.363 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.424 -13.162 -0.432 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.580 -11.295 -1.652 1.00 0.00 C ATOM 916 CE1 PHE A 59 -1.202 -13.308 0.197 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.356 -11.436 -1.025 1.00 0.00 C ATOM 918 CZ PHE A 59 -0.167 -12.443 -0.099 1.00 0.00 C ATOM 0 H PHE A 59 -3.077 -14.567 -2.368 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.183 -12.872 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.042 -10.982 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.750 -12.136 -1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.230 -13.840 -0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.722 -10.505 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.057 -14.098 0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.452 -10.759 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.788 -12.554 0.393 1.00 0.00 H new ATOM 928 N HIS A 60 -3.493 -11.627 -5.096 1.00 0.00 N ATOM 929 CA HIS A 60 -2.644 -11.224 -6.211 1.00 0.00 C ATOM 930 C HIS A 60 -2.673 -9.710 -6.397 1.00 0.00 C ATOM 931 O HIS A 60 -3.650 -9.157 -6.905 1.00 0.00 O ATOM 932 CB HIS A 60 -3.092 -11.917 -7.498 1.00 0.00 C ATOM 933 CG HIS A 60 -2.311 -11.501 -8.706 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.659 -11.865 -9.989 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.193 -10.746 -8.821 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.788 -11.354 -10.841 1.00 0.00 C ATOM 937 NE2 HIS A 60 -0.889 -10.670 -10.157 1.00 0.00 N ATOM 0 H HIS A 60 -4.319 -11.044 -4.963 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.621 -11.524 -5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.001 -12.996 -7.371 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.148 -11.704 -7.667 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.463 -12.439 -10.241 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.643 -10.289 -8.012 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.808 -11.475 -11.914 1.00 0.00 H new ATOM 946 N ILE A 61 -1.599 -9.047 -5.983 1.00 0.00 N ATOM 947 CA ILE A 61 -1.503 -7.597 -6.105 1.00 0.00 C ATOM 948 C ILE A 61 -1.035 -7.193 -7.499 1.00 0.00 C ATOM 949 O ILE A 61 -0.218 -7.878 -8.116 1.00 0.00 O ATOM 950 CB ILE A 61 -0.538 -7.007 -5.061 1.00 0.00 C ATOM 951 CG1 ILE A 61 -0.903 -7.502 -3.660 1.00 0.00 C ATOM 952 CG2 ILE A 61 -0.563 -5.487 -5.115 1.00 0.00 C ATOM 953 CD1 ILE A 61 0.232 -7.394 -2.666 1.00 0.00 C ATOM 0 H ILE A 61 -0.783 -9.490 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.502 -7.199 -5.930 1.00 0.00 H new ATOM 0 HB ILE A 61 0.473 -7.342 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.754 -6.929 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.222 -8.542 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.125 -5.085 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.259 -5.153 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.572 -5.132 -4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.098 -7.763 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.077 -7.990 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.537 -6.352 -2.574 1.00 0.00 H new ATOM 965 N LYS A 62 -1.556 -6.074 -7.991 1.00 0.00 N ATOM 966 CA LYS A 62 -1.191 -5.574 -9.311 1.00 0.00 C ATOM 967 C LYS A 62 -1.107 -4.051 -9.313 1.00 0.00 C ATOM 968 O LYS A 62 -2.013 -3.369 -8.833 1.00 0.00 O ATOM 969 CB LYS A 62 -2.207 -6.041 -10.355 1.00 0.00 C ATOM 970 CG LYS A 62 -2.000 -7.476 -10.807 1.00 0.00 C ATOM 971 CD LYS A 62 -0.770 -7.610 -11.690 1.00 0.00 C ATOM 972 CE LYS A 62 -1.105 -7.366 -13.153 1.00 0.00 C ATOM 973 NZ LYS A 62 -1.877 -8.495 -13.742 1.00 0.00 N ATOM 0 H LYS A 62 -2.233 -5.495 -7.494 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.209 -5.974 -9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.211 -5.940 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.151 -5.384 -11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.895 -8.122 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.880 -7.817 -11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.009 -6.899 -11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.345 -8.607 -11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.681 -6.445 -13.245 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.184 -7.223 -13.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.867 -8.418 -14.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.445 -9.397 -13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.859 -8.459 -13.401 1.00 0.00 H new ATOM 987 N THR A 63 -0.014 -3.524 -9.856 1.00 0.00 N ATOM 988 CA THR A 63 0.187 -2.082 -9.920 1.00 0.00 C ATOM 989 C THR A 63 1.355 -1.730 -10.834 1.00 0.00 C ATOM 990 O THR A 63 2.150 -2.595 -11.202 1.00 0.00 O ATOM 991 CB THR A 63 0.447 -1.488 -8.523 1.00 0.00 C ATOM 992 OG1 THR A 63 0.270 -0.067 -8.553 1.00 0.00 O ATOM 993 CG2 THR A 63 1.853 -1.819 -8.047 1.00 0.00 C ATOM 0 H THR A 63 0.745 -4.074 -10.258 1.00 0.00 H new ATOM 0 HA THR A 63 -0.730 -1.653 -10.324 1.00 0.00 H new ATOM 0 HB THR A 63 -0.268 -1.928 -7.827 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.436 0.302 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.013 -1.389 -7.058 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.975 -2.901 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.580 -1.405 -8.745 1.00 0.00 H new ATOM 1001 N CYS A 64 1.453 -0.456 -11.197 1.00 0.00 N ATOM 1002 CA CYS A 64 2.525 0.010 -12.070 1.00 0.00 C ATOM 1003 C CYS A 64 3.220 1.230 -11.473 1.00 0.00 C ATOM 1004 O CYS A 64 2.673 1.902 -10.598 1.00 0.00 O ATOM 1005 CB CYS A 64 1.972 0.350 -13.455 1.00 0.00 C ATOM 1006 SG CYS A 64 0.780 1.710 -13.461 1.00 0.00 S ATOM 0 H CYS A 64 0.804 0.273 -10.901 1.00 0.00 H new ATOM 0 HA CYS A 64 3.257 -0.792 -12.166 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.802 0.606 -14.113 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.496 -0.538 -13.872 1.00 0.00 H new ATOM 0 HG CYS A 64 0.372 1.924 -14.677 1.00 0.00 H new ATOM 1012 N ARG A 65 4.428 1.508 -11.950 1.00 0.00 N ATOM 1013 CA ARG A 65 5.200 2.645 -11.462 1.00 0.00 C ATOM 1014 C ARG A 65 4.373 3.927 -11.518 1.00 0.00 C ATOM 1015 O ARG A 65 3.404 4.038 -12.269 1.00 0.00 O ATOM 1016 CB ARG A 65 6.478 2.813 -12.285 1.00 0.00 C ATOM 1017 CG ARG A 65 6.243 3.426 -13.656 1.00 0.00 C ATOM 1018 CD ARG A 65 7.517 3.439 -14.486 1.00 0.00 C ATOM 1019 NE ARG A 65 7.789 2.139 -15.093 1.00 0.00 N ATOM 1020 CZ ARG A 65 7.299 1.759 -16.267 1.00 0.00 C ATOM 1021 NH1 ARG A 65 6.516 2.576 -16.959 1.00 0.00 N ATOM 1022 NH2 ARG A 65 7.592 0.559 -16.753 1.00 0.00 N ATOM 0 H ARG A 65 4.894 0.962 -12.674 1.00 0.00 H new ATOM 0 HA ARG A 65 5.469 2.451 -10.424 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.177 3.440 -11.731 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.952 1.839 -12.408 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.471 2.862 -14.180 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.871 4.444 -13.542 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.432 4.193 -15.268 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.358 3.727 -13.855 1.00 0.00 H new ATOM 0 HE ARG A 65 8.388 1.487 -14.587 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.289 3.499 -16.590 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.141 2.281 -17.861 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.194 -0.072 -16.224 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.215 0.268 -17.655 1.00 0.00 H new ATOM 1036 N PRO A 66 4.764 4.919 -10.704 1.00 0.00 N ATOM 1037 CA PRO A 66 5.916 4.798 -9.805 1.00 0.00 C ATOM 1038 C PRO A 66 5.657 3.827 -8.658 1.00 0.00 C ATOM 1039 O PRO A 66 6.530 3.588 -7.824 1.00 0.00 O ATOM 1040 CB PRO A 66 6.099 6.221 -9.270 1.00 0.00 C ATOM 1041 CG PRO A 66 4.750 6.843 -9.381 1.00 0.00 C ATOM 1042 CD PRO A 66 4.111 6.234 -10.598 1.00 0.00 C ATOM 0 HA PRO A 66 6.794 4.404 -10.318 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.448 6.214 -8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.838 6.771 -9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.155 6.647 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.827 7.926 -9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.032 6.138 -10.480 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.282 6.840 -11.488 1.00 0.00 H new ATOM 1050 N PHE A 67 4.451 3.270 -8.622 1.00 0.00 N ATOM 1051 CA PHE A 67 4.077 2.325 -7.576 1.00 0.00 C ATOM 1052 C PHE A 67 4.294 0.887 -8.039 1.00 0.00 C ATOM 1053 O PHE A 67 3.969 0.532 -9.172 1.00 0.00 O ATOM 1054 CB PHE A 67 2.614 2.527 -7.176 1.00 0.00 C ATOM 1055 CG PHE A 67 2.426 3.538 -6.081 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.108 3.414 -4.881 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.568 4.613 -6.252 1.00 0.00 C ATOM 1058 CE1 PHE A 67 2.938 4.343 -3.872 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.395 5.545 -5.246 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.079 5.409 -4.054 1.00 0.00 C ATOM 0 H PHE A 67 3.716 3.456 -9.305 1.00 0.00 H new ATOM 0 HA PHE A 67 4.713 2.510 -6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.046 2.842 -8.052 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.199 1.572 -6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.780 2.582 -4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.029 4.724 -7.181 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.476 4.235 -2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.725 6.379 -5.392 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.942 6.135 -3.266 1.00 0.00 H new ATOM 1070 N SER A 68 4.848 0.064 -7.154 1.00 0.00 N ATOM 1071 CA SER A 68 5.114 -1.334 -7.472 1.00 0.00 C ATOM 1072 C SER A 68 5.385 -2.138 -6.204 1.00 0.00 C ATOM 1073 O SER A 68 5.761 -1.581 -5.172 1.00 0.00 O ATOM 1074 CB SER A 68 6.307 -1.444 -8.424 1.00 0.00 C ATOM 1075 OG SER A 68 7.067 -2.609 -8.156 1.00 0.00 O ATOM 0 H SER A 68 5.121 0.341 -6.211 1.00 0.00 H new ATOM 0 HA SER A 68 4.230 -1.745 -7.959 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.953 -1.466 -9.455 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.940 -0.562 -8.323 1.00 0.00 H new ATOM 0 HG SER A 68 7.822 -2.657 -8.779 1.00 0.00 H new ATOM 1081 N ILE A 69 5.191 -3.449 -6.290 1.00 0.00 N ATOM 1082 CA ILE A 69 5.414 -4.330 -5.151 1.00 0.00 C ATOM 1083 C ILE A 69 5.872 -5.712 -5.606 1.00 0.00 C ATOM 1084 O ILE A 69 5.640 -6.108 -6.747 1.00 0.00 O ATOM 1085 CB ILE A 69 4.142 -4.479 -4.296 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.261 -5.603 -4.845 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.373 -3.167 -4.257 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.803 -5.372 -6.268 1.00 0.00 C ATOM 0 H ILE A 69 4.880 -3.925 -7.137 1.00 0.00 H new ATOM 0 HA ILE A 69 6.196 -3.871 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 69 4.435 -4.736 -3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.812 -6.542 -4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.386 -5.714 -4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.477 -3.289 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.002 -2.389 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.088 -2.882 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.183 -6.208 -6.591 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.224 -4.450 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.672 -5.291 -6.921 1.00 0.00 H new ATOM 1100 N GLU A 70 6.522 -6.441 -4.704 1.00 0.00 N ATOM 1101 CA GLU A 70 7.012 -7.779 -5.013 1.00 0.00 C ATOM 1102 C GLU A 70 7.218 -8.591 -3.737 1.00 0.00 C ATOM 1103 O GLU A 70 7.743 -8.102 -2.738 1.00 0.00 O ATOM 1104 CB GLU A 70 8.323 -7.698 -5.797 1.00 0.00 C ATOM 1105 CG GLU A 70 9.246 -8.883 -5.563 1.00 0.00 C ATOM 1106 CD GLU A 70 10.189 -9.126 -6.726 1.00 0.00 C ATOM 1107 OE1 GLU A 70 9.830 -8.763 -7.866 1.00 0.00 O ATOM 1108 OE2 GLU A 70 11.285 -9.678 -6.496 1.00 0.00 O ATOM 0 H GLU A 70 6.721 -6.128 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 70 6.262 -8.280 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.097 -7.629 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.845 -6.782 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.828 -8.712 -4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.647 -9.778 -5.393 1.00 0.00 H new ATOM 1115 N PRO A 71 6.793 -9.863 -3.771 1.00 0.00 N ATOM 1116 CA PRO A 71 6.165 -10.457 -4.956 1.00 0.00 C ATOM 1117 C PRO A 71 4.778 -9.884 -5.225 1.00 0.00 C ATOM 1118 O PRO A 71 4.036 -9.566 -4.296 1.00 0.00 O ATOM 1119 CB PRO A 71 6.070 -11.943 -4.600 1.00 0.00 C ATOM 1120 CG PRO A 71 6.043 -11.974 -3.110 1.00 0.00 C ATOM 1121 CD PRO A 71 6.893 -10.820 -2.656 1.00 0.00 C ATOM 0 HA PRO A 71 6.736 -10.258 -5.863 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.172 -12.395 -5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.921 -12.499 -4.992 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.024 -11.878 -2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.434 -12.919 -2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.524 -10.391 -1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.924 -11.125 -2.480 1.00 0.00 H new ATOM 1129 N ALA A 72 4.434 -9.754 -6.502 1.00 0.00 N ATOM 1130 CA ALA A 72 3.135 -9.222 -6.893 1.00 0.00 C ATOM 1131 C ALA A 72 2.010 -10.173 -6.498 1.00 0.00 C ATOM 1132 O ALA A 72 0.877 -9.748 -6.271 1.00 0.00 O ATOM 1133 CB ALA A 72 3.103 -8.956 -8.391 1.00 0.00 C ATOM 0 H ALA A 72 5.037 -10.010 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 72 2.981 -8.281 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.127 -8.559 -8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.876 -8.232 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.283 -9.886 -8.930 1.00 0.00 H new ATOM 1139 N ILE A 73 2.331 -11.460 -6.419 1.00 0.00 N ATOM 1140 CA ILE A 73 1.346 -12.470 -6.052 1.00 0.00 C ATOM 1141 C ILE A 73 1.948 -13.505 -5.106 1.00 0.00 C ATOM 1142 O ILE A 73 3.142 -13.796 -5.166 1.00 0.00 O ATOM 1143 CB ILE A 73 0.787 -13.190 -7.293 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.180 -14.299 -6.874 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.922 -13.758 -8.132 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -0.944 -14.903 -8.032 1.00 0.00 C ATOM 0 H ILE A 73 3.264 -11.828 -6.604 1.00 0.00 H new ATOM 0 HA ILE A 73 0.532 -11.949 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 73 0.240 -12.467 -7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.379 -15.086 -6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.890 -13.897 -6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.511 -14.264 -9.006 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.576 -12.948 -8.456 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.494 -14.470 -7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.610 -15.682 -7.662 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.531 -14.128 -8.525 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.242 -15.335 -8.745 1.00 0.00 H new ATOM 1158 N GLY A 74 1.111 -14.059 -4.234 1.00 0.00 N ATOM 1159 CA GLY A 74 1.578 -15.057 -3.289 1.00 0.00 C ATOM 1160 C GLY A 74 0.447 -15.668 -2.486 1.00 0.00 C ATOM 1161 O GLY A 74 -0.690 -15.197 -2.541 1.00 0.00 O ATOM 0 H GLY A 74 0.118 -13.835 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.104 -15.845 -3.828 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.297 -14.601 -2.609 1.00 0.00 H new ATOM 1165 N THR A 75 0.758 -16.721 -1.737 1.00 0.00 N ATOM 1166 CA THR A 75 -0.241 -17.400 -0.921 1.00 0.00 C ATOM 1167 C THR A 75 0.258 -17.600 0.506 1.00 0.00 C ATOM 1168 O THR A 75 1.253 -18.288 0.736 1.00 0.00 O ATOM 1169 CB THR A 75 -0.618 -18.769 -1.517 1.00 0.00 C ATOM 1170 OG1 THR A 75 0.563 -19.546 -1.745 1.00 0.00 O ATOM 1171 CG2 THR A 75 -1.380 -18.600 -2.822 1.00 0.00 C ATOM 0 H THR A 75 1.694 -17.122 -1.679 1.00 0.00 H new ATOM 0 HA THR A 75 -1.125 -16.762 -0.908 1.00 0.00 H new ATOM 0 HB THR A 75 -1.261 -19.286 -0.804 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.190 -19.413 -1.004 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.635 -19.581 -3.224 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.293 -18.034 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.758 -18.064 -3.540 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.439 -16.994 1.461 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.067 -17.106 2.867 1.00 0.00 C ATOM 1181 C LEU A 76 -0.884 -18.191 3.562 1.00 0.00 C ATOM 1182 O LEU A 76 -2.068 -18.367 3.280 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.270 -15.766 3.577 1.00 0.00 C ATOM 1184 CG LEU A 76 0.240 -15.686 5.017 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.752 -15.840 5.057 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.181 -14.372 5.659 1.00 0.00 C ATOM 0 H LEU A 76 -1.264 -16.420 1.287 1.00 0.00 H new ATOM 0 HA LEU A 76 0.986 -17.381 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.225 -14.990 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.335 -15.535 3.576 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.203 -16.504 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.097 -15.780 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.031 -16.806 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.214 -15.044 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.190 -14.332 6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.233 -13.540 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.269 -14.302 5.664 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.242 -18.915 4.473 1.00 0.00 N ATOM 1199 CA ASN A 77 -0.909 -19.983 5.210 1.00 0.00 C ATOM 1200 C ASN A 77 -1.550 -19.444 6.486 1.00 0.00 C ATOM 1201 O ASN A 77 -1.109 -18.436 7.038 1.00 0.00 O ATOM 1202 CB ASN A 77 0.086 -21.092 5.555 1.00 0.00 C ATOM 1203 CG ASN A 77 0.937 -21.495 4.367 1.00 0.00 C ATOM 1204 OD1 ASN A 77 0.453 -22.128 3.428 1.00 0.00 O ATOM 1205 ND2 ASN A 77 2.213 -21.129 4.402 1.00 0.00 N ATOM 0 H ASN A 77 0.739 -18.782 4.719 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.694 -20.394 4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.733 -20.756 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.457 -21.963 5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.835 -21.372 3.630 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.572 -20.605 5.200 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.594 -20.124 6.949 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.296 -19.716 8.161 1.00 0.00 C ATOM 1214 C VAL A 78 -2.362 -19.725 9.366 1.00 0.00 C ATOM 1215 O VAL A 78 -1.622 -20.684 9.584 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.497 -20.635 8.450 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.133 -20.279 9.785 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -5.517 -20.548 7.325 1.00 0.00 C ATOM 0 H VAL A 78 -2.973 -20.960 6.504 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.657 -18.701 7.992 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.140 -21.663 8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.980 -20.939 9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.398 -20.397 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.477 -19.245 9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.359 -21.204 7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.871 -19.521 7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.053 -20.856 6.388 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.401 -18.649 10.146 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.554 -18.554 11.321 1.00 0.00 C ATOM 1230 C GLY A 79 -0.190 -17.971 11.006 1.00 0.00 C ATOM 1231 O GLY A 79 0.285 -17.077 11.704 1.00 0.00 O ATOM 0 H GLY A 79 -3.004 -17.842 9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.046 -17.935 12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.430 -19.545 11.757 1.00 0.00 H new ATOM 1235 N GLU A 80 0.440 -18.480 9.952 1.00 0.00 N ATOM 1236 CA GLU A 80 1.758 -18.006 9.548 1.00 0.00 C ATOM 1237 C GLU A 80 1.664 -16.633 8.890 1.00 0.00 C ATOM 1238 O GLU A 80 0.634 -16.276 8.317 1.00 0.00 O ATOM 1239 CB GLU A 80 2.411 -19.001 8.587 1.00 0.00 C ATOM 1240 CG GLU A 80 2.615 -20.382 9.187 1.00 0.00 C ATOM 1241 CD GLU A 80 3.604 -20.379 10.336 1.00 0.00 C ATOM 1242 OE1 GLU A 80 4.264 -19.341 10.549 1.00 0.00 O ATOM 1243 OE2 GLU A 80 3.717 -21.416 11.023 1.00 0.00 O ATOM 0 H GLU A 80 0.059 -19.220 9.363 1.00 0.00 H new ATOM 0 HA GLU A 80 2.374 -17.920 10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.793 -19.090 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.376 -18.606 8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.657 -20.766 9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.967 -21.062 8.412 1.00 0.00 H new ATOM 1250 N SER A 81 2.747 -15.866 8.976 1.00 0.00 N ATOM 1251 CA SER A 81 2.786 -14.530 8.392 1.00 0.00 C ATOM 1252 C SER A 81 3.871 -14.436 7.324 1.00 0.00 C ATOM 1253 O SER A 81 4.605 -15.393 7.083 1.00 0.00 O ATOM 1254 CB SER A 81 3.032 -13.483 9.480 1.00 0.00 C ATOM 1255 OG SER A 81 2.135 -13.652 10.563 1.00 0.00 O ATOM 0 H SER A 81 3.609 -16.147 9.444 1.00 0.00 H new ATOM 0 HA SER A 81 1.822 -14.336 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.058 -13.561 9.838 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.916 -12.484 9.060 1.00 0.00 H new ATOM 0 HG SER A 81 2.314 -12.972 11.245 1.00 0.00 H new ATOM 1261 N MET A 82 3.964 -13.273 6.686 1.00 0.00 N ATOM 1262 CA MET A 82 4.960 -13.052 5.644 1.00 0.00 C ATOM 1263 C MET A 82 5.260 -11.565 5.485 1.00 0.00 C ATOM 1264 O MET A 82 4.523 -10.718 5.988 1.00 0.00 O ATOM 1265 CB MET A 82 4.474 -13.631 4.313 1.00 0.00 C ATOM 1266 CG MET A 82 3.236 -12.939 3.766 1.00 0.00 C ATOM 1267 SD MET A 82 2.474 -13.850 2.409 1.00 0.00 S ATOM 1268 CE MET A 82 3.204 -13.026 0.996 1.00 0.00 C ATOM 0 H MET A 82 3.363 -12.471 6.872 1.00 0.00 H new ATOM 0 HA MET A 82 5.878 -13.560 5.940 1.00 0.00 H new ATOM 0 HB2 MET A 82 5.276 -13.556 3.579 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.260 -14.692 4.444 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.509 -12.815 4.569 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.505 -11.940 3.422 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.485 -13.767 0.248 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.481 -12.332 0.566 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.090 -12.476 1.313 1.00 0.00 H new ATOM 1278 N GLN A 83 6.347 -11.257 4.785 1.00 0.00 N ATOM 1279 CA GLN A 83 6.744 -9.872 4.562 1.00 0.00 C ATOM 1280 C GLN A 83 6.661 -9.512 3.082 1.00 0.00 C ATOM 1281 O GLN A 83 7.092 -10.280 2.221 1.00 0.00 O ATOM 1282 CB GLN A 83 8.165 -9.637 5.077 1.00 0.00 C ATOM 1283 CG GLN A 83 8.265 -9.601 6.593 1.00 0.00 C ATOM 1284 CD GLN A 83 9.692 -9.725 7.088 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.002 -10.580 7.917 1.00 0.00 O ATOM 1286 NE2 GLN A 83 10.571 -8.869 6.580 1.00 0.00 N ATOM 0 H GLN A 83 6.968 -11.947 4.363 1.00 0.00 H new ATOM 0 HA GLN A 83 6.055 -9.231 5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.815 -10.425 4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.537 -8.695 4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.838 -8.668 6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.668 -10.411 7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 83 10.270 -8.176 5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 83 11.547 -8.905 6.875 1.00 0.00 H new ATOM 1295 N LEU A 84 6.104 -8.341 2.793 1.00 0.00 N ATOM 1296 CA LEU A 84 5.964 -7.880 1.416 1.00 0.00 C ATOM 1297 C LEU A 84 6.738 -6.584 1.195 1.00 0.00 C ATOM 1298 O LEU A 84 6.549 -5.606 1.918 1.00 0.00 O ATOM 1299 CB LEU A 84 4.488 -7.670 1.076 1.00 0.00 C ATOM 1300 CG LEU A 84 3.602 -8.915 1.137 1.00 0.00 C ATOM 1301 CD1 LEU A 84 2.133 -8.528 1.066 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.956 -9.877 0.013 1.00 0.00 C ATOM 0 H LEU A 84 5.742 -7.694 3.493 1.00 0.00 H new ATOM 0 HA LEU A 84 6.377 -8.645 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.081 -6.925 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.423 -7.251 0.072 1.00 0.00 H new ATOM 0 HG LEU A 84 3.779 -9.417 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.517 -9.426 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.887 -7.878 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.940 -8.002 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.316 -10.757 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.808 -9.384 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.999 -10.180 0.108 1.00 0.00 H new ATOM 1314 N GLU A 85 7.608 -6.585 0.190 1.00 0.00 N ATOM 1315 CA GLU A 85 8.409 -5.408 -0.127 1.00 0.00 C ATOM 1316 C GLU A 85 7.729 -4.559 -1.197 1.00 0.00 C ATOM 1317 O GLU A 85 7.540 -5.001 -2.330 1.00 0.00 O ATOM 1318 CB GLU A 85 9.803 -5.825 -0.601 1.00 0.00 C ATOM 1319 CG GLU A 85 10.805 -5.996 0.528 1.00 0.00 C ATOM 1320 CD GLU A 85 12.068 -6.707 0.085 1.00 0.00 C ATOM 1321 OE1 GLU A 85 11.958 -7.691 -0.677 1.00 0.00 O ATOM 1322 OE2 GLU A 85 13.166 -6.281 0.499 1.00 0.00 O ATOM 0 H GLU A 85 7.776 -7.387 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 85 8.505 -4.811 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.725 -6.763 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.179 -5.077 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.066 -5.016 0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.341 -6.559 1.338 1.00 0.00 H new ATOM 1329 N VAL A 86 7.362 -3.336 -0.828 1.00 0.00 N ATOM 1330 CA VAL A 86 6.703 -2.423 -1.754 1.00 0.00 C ATOM 1331 C VAL A 86 7.652 -1.320 -2.208 1.00 0.00 C ATOM 1332 O VAL A 86 8.231 -0.610 -1.387 1.00 0.00 O ATOM 1333 CB VAL A 86 5.455 -1.782 -1.119 1.00 0.00 C ATOM 1334 CG1 VAL A 86 4.988 -0.591 -1.942 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.343 -2.810 -0.976 1.00 0.00 C ATOM 0 H VAL A 86 7.510 -2.955 0.106 1.00 0.00 H new ATOM 0 HA VAL A 86 6.399 -3.015 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 86 5.719 -1.424 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.105 -0.151 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.783 0.154 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.741 -0.921 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.469 -2.340 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.079 -3.200 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.683 -3.628 -0.341 1.00 0.00 H new ATOM 1345 N GLU A 87 7.807 -1.182 -3.521 1.00 0.00 N ATOM 1346 CA GLU A 87 8.687 -0.165 -4.084 1.00 0.00 C ATOM 1347 C GLU A 87 7.881 1.007 -4.636 1.00 0.00 C ATOM 1348 O GLU A 87 6.870 0.815 -5.312 1.00 0.00 O ATOM 1349 CB GLU A 87 9.557 -0.766 -5.189 1.00 0.00 C ATOM 1350 CG GLU A 87 10.800 0.051 -5.497 1.00 0.00 C ATOM 1351 CD GLU A 87 11.313 -0.176 -6.907 1.00 0.00 C ATOM 1352 OE1 GLU A 87 11.485 -1.351 -7.293 1.00 0.00 O ATOM 1353 OE2 GLU A 87 11.542 0.821 -7.622 1.00 0.00 O ATOM 0 H GLU A 87 7.335 -1.762 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 87 9.331 0.204 -3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.857 -1.772 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.961 -0.862 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.577 1.109 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.584 -0.204 -4.784 1.00 0.00 H new ATOM 1360 N PHE A 88 8.335 2.221 -4.343 1.00 0.00 N ATOM 1361 CA PHE A 88 7.656 3.424 -4.809 1.00 0.00 C ATOM 1362 C PHE A 88 8.631 4.595 -4.908 1.00 0.00 C ATOM 1363 O PHE A 88 9.068 5.139 -3.895 1.00 0.00 O ATOM 1364 CB PHE A 88 6.505 3.783 -3.867 1.00 0.00 C ATOM 1365 CG PHE A 88 6.106 5.230 -3.931 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.186 5.667 -4.870 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.652 6.153 -3.054 1.00 0.00 C ATOM 1368 CE1 PHE A 88 4.816 6.997 -4.932 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.286 7.484 -3.111 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.368 7.907 -4.052 1.00 0.00 C ATOM 0 H PHE A 88 9.170 2.398 -3.785 1.00 0.00 H new ATOM 0 HA PHE A 88 7.254 3.223 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.641 3.165 -4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.793 3.539 -2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.753 4.960 -5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.372 5.828 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.096 7.324 -5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.718 8.193 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.082 8.947 -4.100 1.00 0.00 H new ATOM 1380 N GLU A 89 8.966 4.975 -6.137 1.00 0.00 N ATOM 1381 CA GLU A 89 9.890 6.079 -6.369 1.00 0.00 C ATOM 1382 C GLU A 89 9.204 7.212 -7.127 1.00 0.00 C ATOM 1383 O GLU A 89 9.011 7.153 -8.342 1.00 0.00 O ATOM 1384 CB GLU A 89 11.112 5.595 -7.151 1.00 0.00 C ATOM 1385 CG GLU A 89 12.098 6.702 -7.487 1.00 0.00 C ATOM 1386 CD GLU A 89 13.019 6.335 -8.634 1.00 0.00 C ATOM 1387 OE1 GLU A 89 12.547 6.312 -9.790 1.00 0.00 O ATOM 1388 OE2 GLU A 89 14.212 6.070 -8.375 1.00 0.00 O ATOM 0 H GLU A 89 8.612 4.535 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 89 10.215 6.457 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.624 4.828 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.778 5.125 -8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.548 7.608 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.696 6.931 -6.605 1.00 0.00 H new ATOM 1395 N PRO A 90 8.825 8.269 -6.394 1.00 0.00 N ATOM 1396 CA PRO A 90 8.154 9.436 -6.975 1.00 0.00 C ATOM 1397 C PRO A 90 9.085 10.259 -7.859 1.00 0.00 C ATOM 1398 O PRO A 90 10.063 10.833 -7.380 1.00 0.00 O ATOM 1399 CB PRO A 90 7.727 10.247 -5.749 1.00 0.00 C ATOM 1400 CG PRO A 90 8.684 9.849 -4.679 1.00 0.00 C ATOM 1401 CD PRO A 90 9.022 8.407 -4.941 1.00 0.00 C ATOM 0 HA PRO A 90 7.326 9.149 -7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.777 11.318 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.699 10.022 -5.464 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.579 10.471 -4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.239 9.972 -3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.047 8.175 -4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.372 7.734 -4.382 1.00 0.00 H new ATOM 1409 N GLN A 91 8.774 10.312 -9.150 1.00 0.00 N ATOM 1410 CA GLN A 91 9.584 11.066 -10.100 1.00 0.00 C ATOM 1411 C GLN A 91 9.190 12.539 -10.104 1.00 0.00 C ATOM 1412 O GLN A 91 9.531 13.280 -11.025 1.00 0.00 O ATOM 1413 CB GLN A 91 9.435 10.482 -11.506 1.00 0.00 C ATOM 1414 CG GLN A 91 10.550 10.887 -12.455 1.00 0.00 C ATOM 1415 CD GLN A 91 11.761 9.981 -12.355 1.00 0.00 C ATOM 1416 OE1 GLN A 91 11.985 9.127 -13.213 1.00 0.00 O ATOM 1417 NE2 GLN A 91 12.551 10.163 -11.303 1.00 0.00 N ATOM 0 H GLN A 91 7.968 9.842 -9.562 1.00 0.00 H new ATOM 0 HA GLN A 91 10.626 10.989 -9.791 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.405 9.395 -11.437 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.480 10.801 -11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.174 10.873 -13.478 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.850 11.913 -12.240 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.327 10.883 -10.616 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.381 9.583 -11.182 1.00 0.00 H new ATOM 1426 N SER A 92 8.469 12.956 -9.068 1.00 0.00 N ATOM 1427 CA SER A 92 8.025 14.340 -8.954 1.00 0.00 C ATOM 1428 C SER A 92 7.873 14.744 -7.491 1.00 0.00 C ATOM 1429 O SER A 92 6.981 14.262 -6.791 1.00 0.00 O ATOM 1430 CB SER A 92 6.696 14.533 -9.689 1.00 0.00 C ATOM 1431 OG SER A 92 6.908 14.777 -11.069 1.00 0.00 O ATOM 0 H SER A 92 8.180 12.355 -8.296 1.00 0.00 H new ATOM 0 HA SER A 92 8.782 14.977 -9.411 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.076 13.646 -9.564 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.151 15.368 -9.248 1.00 0.00 H new ATOM 0 HG SER A 92 7.756 14.372 -11.346 1.00 0.00 H new ATOM 1437 N VAL A 93 8.751 15.631 -7.034 1.00 0.00 N ATOM 1438 CA VAL A 93 8.715 16.101 -5.654 1.00 0.00 C ATOM 1439 C VAL A 93 7.324 16.601 -5.280 1.00 0.00 C ATOM 1440 O VAL A 93 6.715 17.379 -6.013 1.00 0.00 O ATOM 1441 CB VAL A 93 9.735 17.230 -5.419 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.568 18.326 -6.461 1.00 0.00 C ATOM 1443 CG2 VAL A 93 9.592 17.794 -4.013 1.00 0.00 C ATOM 0 H VAL A 93 9.496 16.039 -7.599 1.00 0.00 H new ATOM 0 HA VAL A 93 8.974 15.251 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 93 10.738 16.816 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.297 19.115 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.725 17.909 -7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.562 18.740 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.321 18.591 -3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.586 18.193 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.766 17.003 -3.284 1.00 0.00 H new ATOM 1453 N GLY A 94 6.828 16.150 -4.132 1.00 0.00 N ATOM 1454 CA GLY A 94 5.512 16.563 -3.679 1.00 0.00 C ATOM 1455 C GLY A 94 4.766 15.449 -2.973 1.00 0.00 C ATOM 1456 O GLY A 94 5.300 14.355 -2.787 1.00 0.00 O ATOM 0 H GLY A 94 7.314 15.506 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.614 17.413 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.927 16.903 -4.534 1.00 0.00 H new ATOM 1460 N ASP A 95 3.528 15.726 -2.577 1.00 0.00 N ATOM 1461 CA ASP A 95 2.707 14.738 -1.887 1.00 0.00 C ATOM 1462 C ASP A 95 2.037 13.796 -2.882 1.00 0.00 C ATOM 1463 O ASP A 95 1.193 14.213 -3.676 1.00 0.00 O ATOM 1464 CB ASP A 95 1.647 15.433 -1.031 1.00 0.00 C ATOM 1465 CG ASP A 95 2.145 16.737 -0.439 1.00 0.00 C ATOM 1466 OD1 ASP A 95 2.311 17.710 -1.204 1.00 0.00 O ATOM 1467 OD2 ASP A 95 2.369 16.785 0.789 1.00 0.00 O ATOM 0 H ASP A 95 3.071 16.626 -2.722 1.00 0.00 H new ATOM 0 HA ASP A 95 3.358 14.150 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.763 15.627 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.340 14.766 -0.226 1.00 0.00 H new ATOM 1472 N HIS A 96 2.420 12.524 -2.836 1.00 0.00 N ATOM 1473 CA HIS A 96 1.856 11.523 -3.734 1.00 0.00 C ATOM 1474 C HIS A 96 1.067 10.475 -2.954 1.00 0.00 C ATOM 1475 O HIS A 96 1.438 10.108 -1.839 1.00 0.00 O ATOM 1476 CB HIS A 96 2.967 10.847 -4.539 1.00 0.00 C ATOM 1477 CG HIS A 96 3.521 11.706 -5.633 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.053 11.669 -6.930 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.510 12.631 -5.618 1.00 0.00 C ATOM 1480 CE1 HIS A 96 3.731 12.532 -7.665 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.621 13.129 -6.892 1.00 0.00 N ATOM 0 H HIS A 96 3.118 12.162 -2.187 1.00 0.00 H new ATOM 0 HA HIS A 96 1.175 12.028 -4.420 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.775 10.567 -3.863 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.581 9.925 -4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.101 12.923 -4.763 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.583 12.718 -8.719 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.283 13.844 -7.193 1.00 0.00 H new ATOM 1490 N SER A 97 -0.022 9.999 -3.548 1.00 0.00 N ATOM 1491 CA SER A 97 -0.866 8.997 -2.907 1.00 0.00 C ATOM 1492 C SER A 97 -1.574 8.136 -3.948 1.00 0.00 C ATOM 1493 O SER A 97 -1.600 8.470 -5.132 1.00 0.00 O ATOM 1494 CB SER A 97 -1.897 9.673 -2.000 1.00 0.00 C ATOM 1495 OG SER A 97 -2.707 8.712 -1.344 1.00 0.00 O ATOM 0 H SER A 97 -0.341 10.291 -4.472 1.00 0.00 H new ATOM 0 HA SER A 97 -0.228 8.353 -2.302 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.386 10.289 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.525 10.340 -2.591 1.00 0.00 H new ATOM 0 HG SER A 97 -2.173 8.237 -0.673 1.00 0.00 H new ATOM 1501 N GLY A 98 -2.149 7.025 -3.497 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.850 6.132 -4.402 1.00 0.00 C ATOM 1503 C GLY A 98 -3.622 5.054 -3.669 1.00 0.00 C ATOM 1504 O GLY A 98 -4.258 5.320 -2.649 1.00 0.00 O ATOM 0 H GLY A 98 -2.142 6.727 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.537 6.711 -5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.132 5.666 -5.076 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.568 3.832 -4.189 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.271 2.710 -3.579 1.00 0.00 C ATOM 1510 C ARG A 99 -3.816 1.387 -4.190 1.00 0.00 C ATOM 1511 O ARG A 99 -3.374 1.341 -5.338 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.782 2.871 -3.753 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.336 2.148 -4.969 1.00 0.00 C ATOM 1514 CD ARG A 99 -7.601 2.814 -5.486 1.00 0.00 C ATOM 1515 NE ARG A 99 -7.306 3.980 -6.315 1.00 0.00 N ATOM 1516 CZ ARG A 99 -7.276 5.224 -5.850 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -7.522 5.463 -4.569 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -6.999 6.232 -6.667 1.00 0.00 N ATOM 0 H ARG A 99 -3.045 3.594 -5.031 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.034 2.701 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.284 2.499 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.019 3.932 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.584 2.132 -5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.549 1.111 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.179 2.094 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.222 3.116 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.112 3.831 -7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.735 4.691 -3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.498 6.419 -4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.809 6.052 -7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.976 7.187 -6.309 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.927 0.315 -3.414 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.527 -1.010 -3.877 1.00 0.00 C ATOM 1534 C LEU A 100 -4.736 -1.933 -3.996 1.00 0.00 C ATOM 1535 O LEU A 100 -5.503 -2.093 -3.046 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.499 -1.617 -2.922 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.043 -1.216 -3.160 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.147 -1.790 -2.073 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.580 -1.678 -4.534 1.00 0.00 C ATOM 0 H LEU A 100 -4.291 0.337 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.077 -0.902 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.770 -1.338 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.571 -2.703 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.975 -0.129 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.886 -1.494 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.464 -1.410 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.220 -2.878 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.459 -1.384 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.663 -2.763 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.203 -1.219 -5.301 1.00 0.00 H new ATOM 1551 N ILE A 101 -4.898 -2.540 -5.167 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.011 -3.449 -5.408 1.00 0.00 C ATOM 1553 C ILE A 101 -5.557 -4.904 -5.336 1.00 0.00 C ATOM 1554 O ILE A 101 -4.862 -5.393 -6.226 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.660 -3.193 -6.780 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.172 -1.753 -6.866 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -7.794 -4.179 -7.022 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.412 -1.281 -8.283 1.00 0.00 C ATOM 0 H ILE A 101 -4.272 -2.418 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.747 -3.261 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.907 -3.338 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.101 -1.672 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.451 -1.090 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.243 -3.985 -7.996 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.403 -5.196 -6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.549 -4.063 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.774 -0.253 -8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.480 -1.329 -8.845 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.156 -1.920 -8.758 1.00 0.00 H new ATOM 1570 N VAL A 102 -5.958 -5.591 -4.271 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.595 -6.991 -4.084 1.00 0.00 C ATOM 1572 C VAL A 102 -6.682 -7.916 -4.619 1.00 0.00 C ATOM 1573 O VAL A 102 -7.797 -7.948 -4.097 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.349 -7.313 -2.598 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -4.797 -8.721 -2.441 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.407 -6.290 -1.981 1.00 0.00 C ATOM 0 H VAL A 102 -6.534 -5.201 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.673 -7.157 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.301 -7.261 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.630 -8.930 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.511 -9.439 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -3.854 -8.804 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.244 -6.532 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.454 -6.308 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.847 -5.296 -2.060 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.350 -8.667 -5.663 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.298 -9.594 -6.271 1.00 0.00 C ATOM 1588 C CYS A 103 -7.244 -10.955 -5.585 1.00 0.00 C ATOM 1589 O CYS A 103 -6.186 -11.580 -5.506 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.005 -9.750 -7.764 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.269 -10.671 -8.672 1.00 0.00 S ATOM 0 H CYS A 103 -5.431 -8.652 -6.106 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.300 -9.184 -6.146 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.902 -8.760 -8.209 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.046 -10.254 -7.884 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.933 -10.748 -9.926 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.390 -11.407 -5.089 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.472 -12.693 -4.405 1.00 0.00 C ATOM 1599 C TYR A 104 -8.880 -13.799 -5.373 1.00 0.00 C ATOM 1600 O TYR A 104 -9.481 -13.538 -6.415 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.471 -12.616 -3.249 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.850 -12.189 -1.939 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.370 -10.897 -1.763 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.743 -13.077 -0.876 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -7.801 -10.503 -0.568 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -8.177 -12.691 0.324 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.707 -11.403 0.472 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.141 -11.014 1.665 1.00 0.00 O ATOM 0 H TYR A 104 -9.275 -10.903 -5.147 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.485 -12.929 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.264 -11.915 -3.511 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.939 -13.592 -3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.443 -10.189 -2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -9.109 -14.087 -0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.432 -9.495 -0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.103 -13.394 1.141 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.736 -11.259 2.404 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.550 -15.037 -5.019 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.883 -16.185 -5.854 1.00 0.00 C ATOM 1620 C ASP A 105 -10.389 -16.269 -6.087 1.00 0.00 C ATOM 1621 O ASP A 105 -10.841 -16.670 -7.160 1.00 0.00 O ATOM 1622 CB ASP A 105 -8.382 -17.476 -5.206 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.816 -18.713 -5.968 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -8.447 -18.839 -7.154 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -9.523 -19.555 -5.377 1.00 0.00 O ATOM 0 H ASP A 105 -8.052 -15.271 -4.160 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.391 -16.057 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.294 -17.452 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.754 -17.534 -4.183 1.00 0.00 H new ATOM 1630 N THR A 106 -11.161 -15.889 -5.074 1.00 0.00 N ATOM 1631 CA THR A 106 -12.615 -15.923 -5.168 1.00 0.00 C ATOM 1632 C THR A 106 -13.144 -14.733 -5.960 1.00 0.00 C ATOM 1633 O THR A 106 -14.162 -14.832 -6.643 1.00 0.00 O ATOM 1634 CB THR A 106 -13.268 -15.927 -3.772 1.00 0.00 C ATOM 1635 OG1 THR A 106 -14.681 -15.728 -3.892 1.00 0.00 O ATOM 1636 CG2 THR A 106 -12.670 -14.840 -2.892 1.00 0.00 C ATOM 0 H THR A 106 -10.804 -15.554 -4.179 1.00 0.00 H new ATOM 0 HA THR A 106 -12.876 -16.845 -5.687 1.00 0.00 H new ATOM 0 HB THR A 106 -13.076 -16.894 -3.308 1.00 0.00 H new ATOM 0 HG1 THR A 106 -14.912 -14.828 -3.581 1.00 0.00 H new ATOM 0 HG21 THR A 106 -13.146 -14.862 -1.912 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.599 -15.011 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.835 -13.866 -3.354 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.444 -13.606 -5.864 1.00 0.00 N ATOM 1645 CA GLY A 107 -12.859 -12.413 -6.578 1.00 0.00 C ATOM 1646 C GLY A 107 -12.858 -11.180 -5.696 1.00 0.00 C ATOM 1647 O GLY A 107 -12.919 -10.055 -6.191 1.00 0.00 O ATOM 0 H GLY A 107 -11.598 -13.498 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.193 -12.250 -7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.859 -12.565 -6.983 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.791 -11.392 -4.385 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.785 -10.288 -3.433 1.00 0.00 C ATOM 1653 C GLU A 108 -11.707 -9.268 -3.788 1.00 0.00 C ATOM 1654 O GLU A 108 -10.606 -9.630 -4.204 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.560 -10.811 -2.013 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.847 -11.114 -1.264 1.00 0.00 C ATOM 1657 CD GLU A 108 -14.963 -11.569 -2.184 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -14.821 -12.645 -2.802 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -15.979 -10.849 -2.286 1.00 0.00 O ATOM 0 H GLU A 108 -12.740 -12.317 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.756 -9.796 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.955 -11.717 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.987 -10.074 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.657 -11.887 -0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.167 -10.223 -0.724 1.00 0.00 H new ATOM 1666 N LYS A 109 -12.032 -7.990 -3.623 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.093 -6.916 -3.924 1.00 0.00 C ATOM 1668 C LYS A 109 -10.846 -6.048 -2.695 1.00 0.00 C ATOM 1669 O LYS A 109 -11.782 -5.676 -1.988 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.623 -6.055 -5.072 1.00 0.00 C ATOM 1671 CG LYS A 109 -11.135 -6.497 -6.441 1.00 0.00 C ATOM 1672 CD LYS A 109 -10.998 -5.319 -7.392 1.00 0.00 C ATOM 1673 CE LYS A 109 -12.293 -5.059 -8.146 1.00 0.00 C ATOM 1674 NZ LYS A 109 -12.618 -6.166 -9.088 1.00 0.00 N ATOM 0 H LYS A 109 -12.940 -7.673 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.147 -7.368 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.713 -6.078 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.325 -5.020 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.172 -6.998 -6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -11.831 -7.224 -6.859 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.717 -4.428 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.195 -5.515 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.109 -4.936 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.210 -4.124 -8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.232 -5.807 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.740 -6.539 -9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.109 -6.925 -8.575 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.580 -5.727 -2.447 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.211 -4.900 -1.304 1.00 0.00 C ATOM 1690 C VAL A 110 -8.538 -3.608 -1.756 1.00 0.00 C ATOM 1691 O VAL A 110 -7.726 -3.609 -2.680 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.265 -5.652 -0.349 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -7.906 -4.780 0.844 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -8.897 -6.959 0.106 1.00 0.00 C ATOM 0 H VAL A 110 -8.793 -6.027 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.133 -4.661 -0.775 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.346 -5.887 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.237 -5.328 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.410 -3.874 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.814 -4.512 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.215 -7.478 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.832 -6.750 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.097 -7.588 -0.762 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.882 -2.507 -1.096 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.312 -1.207 -1.429 1.00 0.00 C ATOM 1706 C PHE A 111 -7.491 -0.659 -0.265 1.00 0.00 C ATOM 1707 O PHE A 111 -7.989 -0.530 0.854 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.421 -0.219 -1.796 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.235 -0.646 -2.984 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -9.683 -0.648 -4.254 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -11.553 -1.046 -2.829 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -10.431 -1.040 -5.349 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -12.305 -1.440 -3.920 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.743 -1.437 -5.181 1.00 0.00 C ATOM 0 H PHE A 111 -9.553 -2.489 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.652 -1.336 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.082 -0.093 -0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.976 0.755 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.657 -0.340 -4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -11.998 -1.050 -1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -9.990 -1.036 -6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.331 -1.750 -3.786 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.328 -1.745 -6.035 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.230 -0.337 -0.537 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.340 0.198 0.486 1.00 0.00 C ATOM 1726 C VAL A 112 -4.646 1.466 0.001 1.00 0.00 C ATOM 1727 O VAL A 112 -3.706 1.407 -0.792 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.272 -0.834 0.896 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.308 -0.232 1.906 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -4.930 -2.087 1.455 1.00 0.00 C ATOM 0 H VAL A 112 -5.802 -0.438 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.958 0.434 1.352 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.703 -1.115 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.561 -0.975 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.813 0.633 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.858 0.079 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.161 -2.806 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.525 -1.826 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.576 -2.528 0.696 1.00 0.00 H new ATOM 1740 N SER A 113 -5.115 2.612 0.484 1.00 0.00 N ATOM 1741 CA SER A 113 -4.541 3.896 0.098 1.00 0.00 C ATOM 1742 C SER A 113 -3.028 3.896 0.294 1.00 0.00 C ATOM 1743 O SER A 113 -2.517 3.348 1.272 1.00 0.00 O ATOM 1744 CB SER A 113 -5.172 5.026 0.913 1.00 0.00 C ATOM 1745 OG SER A 113 -6.365 5.490 0.304 1.00 0.00 O ATOM 0 H SER A 113 -5.891 2.678 1.143 1.00 0.00 H new ATOM 0 HA SER A 113 -4.753 4.058 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.388 4.674 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.464 5.850 1.007 1.00 0.00 H new ATOM 0 HG SER A 113 -6.750 6.211 0.845 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.317 4.514 -0.642 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.861 4.586 -0.575 1.00 0.00 C ATOM 1753 C LEU A 114 -0.401 6.004 -0.250 1.00 0.00 C ATOM 1754 O LEU A 114 -1.212 6.927 -0.169 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.246 4.128 -1.898 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.491 2.669 -2.284 1.00 0.00 C ATOM 1757 CD1 LEU A 114 -0.283 2.469 -3.777 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.420 1.747 -1.488 1.00 0.00 C ATOM 0 H LEU A 114 -2.725 4.973 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.525 3.923 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.633 4.763 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.830 4.295 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.525 2.419 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.462 1.425 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.978 3.102 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.740 2.737 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.232 0.713 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.461 1.997 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.221 1.869 -0.423 1.00 0.00 H new ATOM 1770 N TYR A 115 0.904 6.169 -0.067 1.00 0.00 N ATOM 1771 CA TYR A 115 1.472 7.474 0.249 1.00 0.00 C ATOM 1772 C TYR A 115 2.977 7.488 -0.001 1.00 0.00 C ATOM 1773 O TYR A 115 3.591 6.445 -0.223 1.00 0.00 O ATOM 1774 CB TYR A 115 1.182 7.841 1.705 1.00 0.00 C ATOM 1775 CG TYR A 115 0.030 8.805 1.869 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.153 10.136 1.491 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.183 8.385 2.401 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.898 11.021 1.639 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.240 9.262 2.552 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.092 10.579 2.170 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.141 11.457 2.318 1.00 0.00 O ATOM 0 H TYR A 115 1.588 5.416 -0.132 1.00 0.00 H new ATOM 0 HA TYR A 115 1.007 8.212 -0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.965 6.931 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.077 8.280 2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.086 10.485 1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.302 7.355 2.702 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.785 12.053 1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.176 8.918 2.967 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.909 10.987 2.705 1.00 0.00 H new ATOM 1791 N GLY A 116 3.566 8.679 0.038 1.00 0.00 N ATOM 1792 CA GLY A 116 4.994 8.808 -0.185 1.00 0.00 C ATOM 1793 C GLY A 116 5.415 10.244 -0.431 1.00 0.00 C ATOM 1794 O GLY A 116 5.945 10.569 -1.493 1.00 0.00 O ATOM 0 H GLY A 116 3.080 9.557 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.530 8.418 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.282 8.197 -1.040 1.00 0.00 H new ATOM 1798 N ALA A 117 5.177 11.105 0.553 1.00 0.00 N ATOM 1799 CA ALA A 117 5.536 12.513 0.439 1.00 0.00 C ATOM 1800 C ALA A 117 6.996 12.677 0.030 1.00 0.00 C ATOM 1801 O ALA A 117 7.900 12.534 0.853 1.00 0.00 O ATOM 1802 CB ALA A 117 5.269 13.234 1.752 1.00 0.00 C ATOM 0 H ALA A 117 4.737 10.852 1.438 1.00 0.00 H new ATOM 0 HA ALA A 117 4.916 12.958 -0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.542 14.285 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.211 13.156 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.863 12.779 2.544 1.00 0.00 H new ATOM 1808 N ALA A 118 7.219 12.976 -1.245 1.00 0.00 N ATOM 1809 CA ALA A 118 8.569 13.160 -1.762 1.00 0.00 C ATOM 1810 C ALA A 118 9.118 14.532 -1.389 1.00 0.00 C ATOM 1811 O ALA A 118 8.394 15.378 -0.861 1.00 0.00 O ATOM 1812 CB ALA A 118 8.586 12.975 -3.272 1.00 0.00 C ATOM 0 H ALA A 118 6.482 13.096 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 118 9.211 12.405 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.601 13.115 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.245 11.970 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.925 13.707 -3.736 1.00 0.00 H new ATOM 1818 N ILE A 119 10.400 14.748 -1.665 1.00 0.00 N ATOM 1819 CA ILE A 119 11.044 16.018 -1.358 1.00 0.00 C ATOM 1820 C ILE A 119 12.222 16.277 -2.291 1.00 0.00 C ATOM 1821 O ILE A 119 12.879 15.343 -2.752 1.00 0.00 O ATOM 1822 CB ILE A 119 11.539 16.061 0.100 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.451 14.866 0.387 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.359 16.076 1.060 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.918 15.157 0.161 1.00 0.00 C ATOM 0 H ILE A 119 11.013 14.059 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 119 10.293 16.795 -1.501 1.00 0.00 H new ATOM 0 HB ILE A 119 12.113 16.976 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.307 14.549 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 119 12.153 14.031 -0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.725 16.106 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.745 16.956 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.760 15.177 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.504 14.266 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.076 15.445 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 119 14.232 15.971 0.815 1.00 0.00 H new ATOM 1837 N ASP A 120 12.485 17.550 -2.564 1.00 0.00 N ATOM 1838 CA ASP A 120 13.586 17.933 -3.440 1.00 0.00 C ATOM 1839 C ASP A 120 14.880 18.092 -2.648 1.00 0.00 C ATOM 1840 O ASP A 120 14.981 18.949 -1.771 1.00 0.00 O ATOM 1841 CB ASP A 120 13.257 19.236 -4.169 1.00 0.00 C ATOM 1842 CG ASP A 120 14.453 19.805 -4.907 1.00 0.00 C ATOM 1843 OD1 ASP A 120 15.364 19.024 -5.252 1.00 0.00 O ATOM 1844 OD2 ASP A 120 14.477 21.032 -5.140 1.00 0.00 O ATOM 0 H ASP A 120 11.951 18.335 -2.191 1.00 0.00 H new ATOM 0 HA ASP A 120 13.725 17.140 -4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.448 19.058 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 120 12.895 19.970 -3.449 1.00 0.00 H new