USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 737 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 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 HIS : no HE2:sc= -3.1! C(o=-3.1!,f=-6.1!) USER MOD Set 2.1: A 61 THR OG1 : rot 68:sc= 0.622 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -5.54! C(o=-4.9!,f=-4!) USER MOD Set 3.1: A 42 MET CE :methyl 169:sc= -2.02 (180deg=-2.3) USER MOD Set 3.2: A 54 ASN : amide:sc= 0.15 K(o=-1.9,f=-5.1!) USER MOD Single : A 31 LYS NZ :NH3+ 140:sc= 0.721 (180deg=0.308) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0689) USER MOD Single : A 33 MET CE :methyl -167:sc= 0 (180deg=-0.0396) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 57:sc= 1.17 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.898 K(o=-0.9,f=-2.9) USER MOD Single : A 68 ASN : amide:sc= -3.42! K(o=-3.4!,f=-2.4) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc=-0.00834 X(o=-0.0083,f=-0.0018) USER MOD Single : A 80 GLN : amide:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.4) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 153:sc= -9.54! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -170:sc= -1.15 USER MOD Single : A 113 GLN : amide:sc= 0.279 K(o=0.28,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 298 N LEU A 24 -0.092 4.127 -12.452 1.00 0.00 N ATOM 299 CA LEU A 24 0.118 4.415 -11.043 1.00 0.00 C ATOM 300 C LEU A 24 -1.211 4.284 -10.297 1.00 0.00 C ATOM 301 O LEU A 24 -1.642 5.216 -9.620 1.00 0.00 O ATOM 302 CB LEU A 24 0.789 5.779 -10.869 1.00 0.00 C ATOM 303 CG LEU A 24 1.878 5.858 -9.797 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.303 5.570 -8.409 1.00 0.00 C ATOM 305 CD2 LEU A 24 3.049 4.934 -10.135 1.00 0.00 C ATOM 0 HA LEU A 24 0.804 3.690 -10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.225 6.072 -11.824 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.019 6.513 -10.632 1.00 0.00 H new ATOM 0 HG LEU A 24 2.266 6.876 -9.780 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.098 5.633 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.530 6.302 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.871 4.569 -8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.809 5.010 -9.357 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.694 3.905 -10.197 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.480 5.228 -11.092 1.00 0.00 H new ATOM 317 N VAL A 25 -1.825 3.119 -10.446 1.00 0.00 N ATOM 318 CA VAL A 25 -3.096 2.854 -9.795 1.00 0.00 C ATOM 319 C VAL A 25 -2.846 2.467 -8.336 1.00 0.00 C ATOM 320 O VAL A 25 -2.325 1.388 -8.057 1.00 0.00 O ATOM 321 CB VAL A 25 -3.870 1.787 -10.572 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.339 1.755 -10.145 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.742 2.007 -12.081 1.00 0.00 C ATOM 0 H VAL A 25 -1.465 2.348 -11.008 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.717 3.750 -9.792 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.432 0.817 -10.336 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.866 0.988 -10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.404 1.528 -9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.795 2.726 -10.337 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.301 1.235 -12.610 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.142 2.987 -12.341 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.692 1.955 -12.368 1.00 0.00 H new ATOM 333 N VAL A 26 -3.229 3.368 -7.444 1.00 0.00 N ATOM 334 CA VAL A 26 -3.053 3.134 -6.021 1.00 0.00 C ATOM 335 C VAL A 26 -4.376 2.658 -5.419 1.00 0.00 C ATOM 336 O VAL A 26 -5.371 3.380 -5.448 1.00 0.00 O ATOM 337 CB VAL A 26 -2.509 4.396 -5.347 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.499 4.243 -3.824 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.114 4.741 -5.872 1.00 0.00 C ATOM 0 H VAL A 26 -3.661 4.262 -7.679 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.318 2.348 -5.851 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.174 5.222 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.108 5.153 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.515 4.068 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.867 3.399 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.751 5.642 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.433 3.915 -5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.162 4.913 -6.947 1.00 0.00 H new ATOM 349 N PHE A 27 -4.345 1.445 -4.887 1.00 0.00 N ATOM 350 CA PHE A 27 -5.529 0.863 -4.279 1.00 0.00 C ATOM 351 C PHE A 27 -5.383 0.785 -2.758 1.00 0.00 C ATOM 352 O PHE A 27 -4.566 0.019 -2.248 1.00 0.00 O ATOM 353 CB PHE A 27 -5.670 -0.554 -4.839 1.00 0.00 C ATOM 354 CG PHE A 27 -6.651 -1.435 -4.064 1.00 0.00 C ATOM 355 CD1 PHE A 27 -6.227 -2.125 -2.971 1.00 0.00 C ATOM 356 CD2 PHE A 27 -7.946 -1.529 -4.467 1.00 0.00 C ATOM 357 CE1 PHE A 27 -7.137 -2.943 -2.251 1.00 0.00 C ATOM 358 CE2 PHE A 27 -8.857 -2.347 -3.747 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.433 -3.037 -2.654 1.00 0.00 C ATOM 0 H PHE A 27 -3.518 0.849 -4.865 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.401 1.477 -4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.995 -0.492 -5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.691 -1.032 -4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.198 -2.051 -2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.282 -0.981 -5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.800 -3.491 -1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.886 -2.421 -4.067 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.125 -3.659 -2.106 1.00 0.00 H new ATOM 369 N ILE A 28 -6.186 1.587 -2.076 1.00 0.00 N ATOM 370 CA ILE A 28 -6.157 1.619 -0.624 1.00 0.00 C ATOM 371 C ILE A 28 -6.960 0.437 -0.076 1.00 0.00 C ATOM 372 O ILE A 28 -8.063 0.162 -0.544 1.00 0.00 O ATOM 373 CB ILE A 28 -6.632 2.978 -0.107 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.671 4.091 -0.528 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.844 2.945 1.408 1.00 0.00 C ATOM 376 CD1 ILE A 28 -5.852 5.333 0.349 1.00 0.00 C ATOM 0 H ILE A 28 -6.862 2.221 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.135 1.507 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.598 3.198 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.643 3.736 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.844 4.350 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.181 3.924 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.596 2.196 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.905 2.692 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.157 6.109 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.874 5.700 0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.654 5.076 1.390 1.00 0.00 H new ATOM 388 N LEU A 29 -6.374 -0.230 0.908 1.00 0.00 N ATOM 389 CA LEU A 29 -7.022 -1.375 1.525 1.00 0.00 C ATOM 390 C LEU A 29 -7.792 -0.914 2.764 1.00 0.00 C ATOM 391 O LEU A 29 -7.211 -0.339 3.683 1.00 0.00 O ATOM 392 CB LEU A 29 -6.000 -2.478 1.811 1.00 0.00 C ATOM 393 CG LEU A 29 -6.572 -3.812 2.296 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.251 -4.566 1.151 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.493 -4.655 2.978 1.00 0.00 C ATOM 0 H LEU A 29 -5.458 0.001 1.293 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.750 -1.815 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.427 -2.660 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.299 -2.111 2.561 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.338 -3.604 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.649 -5.510 1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.065 -3.962 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.524 -4.764 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.926 -5.598 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.688 -4.856 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.096 -4.113 3.836 1.00 0.00 H new ATOM 407 N GLU A 30 -9.089 -1.184 2.749 1.00 0.00 N ATOM 408 CA GLU A 30 -9.946 -0.804 3.859 1.00 0.00 C ATOM 409 C GLU A 30 -9.449 -1.447 5.156 1.00 0.00 C ATOM 410 O GLU A 30 -9.319 -0.772 6.177 1.00 0.00 O ATOM 411 CB GLU A 30 -11.402 -1.182 3.583 1.00 0.00 C ATOM 412 CG GLU A 30 -12.313 -0.727 4.725 1.00 0.00 C ATOM 413 CD GLU A 30 -12.764 -1.917 5.574 1.00 0.00 C ATOM 414 OE1 GLU A 30 -13.565 -2.719 5.048 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.296 -1.999 6.731 1.00 0.00 O ATOM 0 H GLU A 30 -9.567 -1.662 1.985 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.902 0.279 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.729 -0.726 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.483 -2.262 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.785 -0.008 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.185 -0.215 4.318 1.00 0.00 H new ATOM 422 N LYS A 31 -9.186 -2.743 5.074 1.00 0.00 N ATOM 423 CA LYS A 31 -8.707 -3.483 6.228 1.00 0.00 C ATOM 424 C LYS A 31 -7.753 -2.601 7.036 1.00 0.00 C ATOM 425 O LYS A 31 -6.809 -2.035 6.485 1.00 0.00 O ATOM 426 CB LYS A 31 -8.092 -4.815 5.793 1.00 0.00 C ATOM 427 CG LYS A 31 -9.168 -5.774 5.278 1.00 0.00 C ATOM 428 CD LYS A 31 -9.047 -5.973 3.766 1.00 0.00 C ATOM 429 CE LYS A 31 -10.244 -6.752 3.218 1.00 0.00 C ATOM 430 NZ LYS A 31 -10.074 -8.202 3.461 1.00 0.00 N ATOM 0 H LYS A 31 -9.296 -3.299 4.226 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.537 -3.740 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.352 -4.640 5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.567 -5.269 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.075 -6.735 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.156 -5.381 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.983 -5.003 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.125 -6.508 3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.161 -6.403 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.348 -6.566 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.986 -8.617 3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.736 -8.662 2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.381 -8.347 4.222 1.00 0.00 H new ATOM 444 N LYS A 32 -8.032 -2.510 8.327 1.00 0.00 N ATOM 445 CA LYS A 32 -7.211 -1.705 9.216 1.00 0.00 C ATOM 446 C LYS A 32 -7.303 -0.236 8.798 1.00 0.00 C ATOM 447 O LYS A 32 -6.284 0.416 8.581 1.00 0.00 O ATOM 448 CB LYS A 32 -5.780 -2.244 9.257 1.00 0.00 C ATOM 449 CG LYS A 32 -5.658 -3.403 10.248 1.00 0.00 C ATOM 450 CD LYS A 32 -4.663 -4.452 9.747 1.00 0.00 C ATOM 451 CE LYS A 32 -4.065 -5.242 10.912 1.00 0.00 C ATOM 452 NZ LYS A 32 -5.125 -5.974 11.640 1.00 0.00 N ATOM 0 H LYS A 32 -8.816 -2.981 8.780 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.581 -1.769 10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.485 -2.579 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.095 -1.445 9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.335 -3.024 11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.635 -3.864 10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.164 -5.134 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.866 -3.964 9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.320 -5.945 10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.550 -4.564 11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.691 -6.609 12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.744 -5.295 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.686 -6.533 10.966 1.00 0.00 H new ATOM 466 N MET A 33 -8.535 0.241 8.699 1.00 0.00 N ATOM 467 CA MET A 33 -8.774 1.621 8.311 1.00 0.00 C ATOM 468 C MET A 33 -10.269 1.948 8.343 1.00 0.00 C ATOM 469 O MET A 33 -10.726 2.693 9.209 1.00 0.00 O ATOM 470 CB MET A 33 -8.230 1.857 6.901 1.00 0.00 C ATOM 471 CG MET A 33 -7.550 3.224 6.797 1.00 0.00 C ATOM 472 SD MET A 33 -5.786 3.017 6.627 1.00 0.00 S ATOM 473 CE MET A 33 -5.682 2.662 4.880 1.00 0.00 C ATOM 0 H MET A 33 -9.378 -0.303 8.881 1.00 0.00 H new ATOM 0 HA MET A 33 -8.263 2.272 9.020 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.518 1.072 6.646 1.00 0.00 H new ATOM 0 HB3 MET A 33 -9.044 1.796 6.178 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.944 3.771 5.941 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.771 3.818 7.684 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.688 2.281 4.645 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.429 1.914 4.616 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.865 3.574 4.312 1.00 0.00 H new ATOM 483 N GLY A 34 -10.988 1.376 7.389 1.00 0.00 N ATOM 484 CA GLY A 34 -12.421 1.598 7.297 1.00 0.00 C ATOM 485 C GLY A 34 -12.792 2.233 5.955 1.00 0.00 C ATOM 486 O GLY A 34 -12.028 2.154 4.994 1.00 0.00 O ATOM 0 H GLY A 34 -10.605 0.759 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.948 0.651 7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.746 2.245 8.112 1.00 0.00 H new ATOM 490 N THR A 35 -13.966 2.848 5.933 1.00 0.00 N ATOM 491 CA THR A 35 -14.448 3.496 4.725 1.00 0.00 C ATOM 492 C THR A 35 -13.983 4.953 4.680 1.00 0.00 C ATOM 493 O THR A 35 -13.302 5.363 3.742 1.00 0.00 O ATOM 494 CB THR A 35 -15.969 3.342 4.680 1.00 0.00 C ATOM 495 OG1 THR A 35 -16.171 1.941 4.517 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.584 3.956 3.421 1.00 0.00 C ATOM 0 H THR A 35 -14.597 2.911 6.732 1.00 0.00 H new ATOM 0 HA THR A 35 -14.033 3.027 3.832 1.00 0.00 H new ATOM 0 HB THR A 35 -16.407 3.809 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 35 -17.132 1.751 4.480 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.665 3.819 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.354 5.021 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 35 -16.172 3.466 2.539 1.00 0.00 H new ATOM 504 N THR A 36 -14.371 5.696 5.706 1.00 0.00 N ATOM 505 CA THR A 36 -14.003 7.099 5.796 1.00 0.00 C ATOM 506 C THR A 36 -12.544 7.296 5.379 1.00 0.00 C ATOM 507 O THR A 36 -12.268 7.864 4.323 1.00 0.00 O ATOM 508 CB THR A 36 -14.297 7.575 7.220 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.720 7.639 7.278 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.850 9.019 7.459 1.00 0.00 C ATOM 0 H THR A 36 -14.937 5.353 6.482 1.00 0.00 H new ATOM 0 HA THR A 36 -14.590 7.706 5.107 1.00 0.00 H new ATOM 0 HB THR A 36 -13.798 6.918 7.932 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.998 7.938 8.169 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.082 9.307 8.484 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.776 9.099 7.294 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.374 9.681 6.769 1.00 0.00 H new ATOM 518 N ARG A 37 -11.649 6.814 6.228 1.00 0.00 N ATOM 519 CA ARG A 37 -10.226 6.930 5.961 1.00 0.00 C ATOM 520 C ARG A 37 -9.905 6.409 4.559 1.00 0.00 C ATOM 521 O ARG A 37 -9.444 7.162 3.703 1.00 0.00 O ATOM 522 CB ARG A 37 -9.407 6.145 6.989 1.00 0.00 C ATOM 523 CG ARG A 37 -8.808 7.080 8.042 1.00 0.00 C ATOM 524 CD ARG A 37 -7.350 6.718 8.331 1.00 0.00 C ATOM 525 NE ARG A 37 -6.812 7.595 9.394 1.00 0.00 N ATOM 526 CZ ARG A 37 -6.528 8.894 9.225 1.00 0.00 C ATOM 527 NH1 ARG A 37 -6.730 9.474 8.034 1.00 0.00 N ATOM 528 NH2 ARG A 37 -6.043 9.612 10.247 1.00 0.00 N ATOM 0 H ARG A 37 -11.882 6.342 7.102 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.960 7.985 6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.041 5.403 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.609 5.601 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.868 8.111 7.694 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.391 7.019 8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.280 5.675 8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.754 6.824 7.425 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.647 7.185 10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.100 8.927 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.514 10.462 7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.890 9.170 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.827 10.601 10.119 1.00 0.00 H new ATOM 542 N ARG A 38 -10.162 5.123 4.367 1.00 0.00 N ATOM 543 CA ARG A 38 -9.906 4.493 3.083 1.00 0.00 C ATOM 544 C ARG A 38 -10.254 5.451 1.942 1.00 0.00 C ATOM 545 O ARG A 38 -9.398 5.785 1.124 1.00 0.00 O ATOM 546 CB ARG A 38 -10.724 3.209 2.927 1.00 0.00 C ATOM 547 CG ARG A 38 -10.678 2.701 1.485 1.00 0.00 C ATOM 548 CD ARG A 38 -11.182 1.259 1.394 1.00 0.00 C ATOM 549 NE ARG A 38 -11.513 0.926 -0.009 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.697 1.179 -0.582 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.671 1.769 0.124 1.00 0.00 N ATOM 552 NH2 ARG A 38 -12.908 0.841 -1.862 1.00 0.00 N ATOM 0 H ARG A 38 -10.545 4.501 5.079 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.846 4.243 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.336 2.443 3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.758 3.395 3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.288 3.344 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.657 2.757 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.421 0.575 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.063 1.132 2.024 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.794 0.475 -0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.511 2.026 1.098 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.572 1.962 -0.313 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.167 0.391 -2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.810 1.034 -2.298 1.00 0.00 H new ATOM 566 N ALA A 39 -11.512 5.868 1.924 1.00 0.00 N ATOM 567 CA ALA A 39 -11.983 6.782 0.898 1.00 0.00 C ATOM 568 C ALA A 39 -11.191 8.088 0.981 1.00 0.00 C ATOM 569 O ALA A 39 -10.604 8.527 -0.007 1.00 0.00 O ATOM 570 CB ALA A 39 -13.489 7.001 1.061 1.00 0.00 C ATOM 0 H ALA A 39 -12.219 5.589 2.604 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.821 6.361 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.842 7.687 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.008 6.047 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.691 7.425 2.045 1.00 0.00 H new ATOM 576 N LEU A 40 -11.201 8.674 2.170 1.00 0.00 N ATOM 577 CA LEU A 40 -10.490 9.921 2.395 1.00 0.00 C ATOM 578 C LEU A 40 -9.124 9.856 1.709 1.00 0.00 C ATOM 579 O LEU A 40 -8.901 10.519 0.697 1.00 0.00 O ATOM 580 CB LEU A 40 -10.414 10.231 3.891 1.00 0.00 C ATOM 581 CG LEU A 40 -9.366 11.265 4.309 1.00 0.00 C ATOM 582 CD1 LEU A 40 -7.980 10.626 4.423 1.00 0.00 C ATOM 583 CD2 LEU A 40 -9.368 12.463 3.358 1.00 0.00 C ATOM 0 H LEU A 40 -11.690 8.308 2.987 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.031 10.755 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.392 10.581 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.212 9.302 4.425 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.631 11.639 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.254 11.382 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.005 9.833 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.692 10.207 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.614 13.183 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.141 12.125 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.350 12.936 3.371 1.00 0.00 H new ATOM 595 N LEU A 41 -8.245 9.052 2.288 1.00 0.00 N ATOM 596 CA LEU A 41 -6.907 8.892 1.745 1.00 0.00 C ATOM 597 C LEU A 41 -6.984 8.826 0.219 1.00 0.00 C ATOM 598 O LEU A 41 -6.395 9.655 -0.473 1.00 0.00 O ATOM 599 CB LEU A 41 -6.213 7.684 2.378 1.00 0.00 C ATOM 600 CG LEU A 41 -5.487 7.943 3.700 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.787 9.303 3.683 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.444 7.807 4.887 1.00 0.00 C ATOM 0 H LEU A 41 -8.433 8.504 3.128 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.289 9.754 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.959 6.907 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.492 7.288 1.662 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.714 7.184 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.279 9.463 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.058 9.327 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.525 10.090 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.903 7.996 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.254 8.529 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.858 6.799 4.907 1.00 0.00 H new ATOM 614 N MET A 42 -7.717 7.832 -0.262 1.00 0.00 N ATOM 615 CA MET A 42 -7.880 7.647 -1.694 1.00 0.00 C ATOM 616 C MET A 42 -8.170 8.979 -2.389 1.00 0.00 C ATOM 617 O MET A 42 -7.653 9.243 -3.474 1.00 0.00 O ATOM 618 CB MET A 42 -9.029 6.673 -1.956 1.00 0.00 C ATOM 619 CG MET A 42 -8.589 5.227 -1.717 1.00 0.00 C ATOM 620 SD MET A 42 -9.979 4.247 -1.176 1.00 0.00 S ATOM 621 CE MET A 42 -11.247 4.883 -2.259 1.00 0.00 C ATOM 0 H MET A 42 -8.205 7.146 0.315 1.00 0.00 H new ATOM 0 HA MET A 42 -6.951 7.243 -2.097 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.869 6.913 -1.305 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.379 6.785 -2.982 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.173 4.809 -2.634 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.799 5.198 -0.967 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.132 4.250 -2.194 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.505 5.899 -1.960 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.880 4.889 -3.285 1.00 0.00 H new ATOM 631 N GLU A 43 -8.997 9.783 -1.737 1.00 0.00 N ATOM 632 CA GLU A 43 -9.363 11.080 -2.278 1.00 0.00 C ATOM 633 C GLU A 43 -8.172 12.038 -2.212 1.00 0.00 C ATOM 634 O GLU A 43 -7.945 12.818 -3.136 1.00 0.00 O ATOM 635 CB GLU A 43 -10.574 11.659 -1.544 1.00 0.00 C ATOM 636 CG GLU A 43 -10.527 13.188 -1.530 1.00 0.00 C ATOM 637 CD GLU A 43 -11.877 13.775 -1.113 1.00 0.00 C ATOM 638 OE1 GLU A 43 -12.897 13.281 -1.640 1.00 0.00 O ATOM 639 OE2 GLU A 43 -11.859 14.704 -0.277 1.00 0.00 O ATOM 0 H GLU A 43 -9.424 9.560 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.642 10.950 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.491 11.324 -2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.598 11.283 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.752 13.525 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.257 13.556 -2.520 1.00 0.00 H new ATOM 646 N LEU A 44 -7.442 11.948 -1.109 1.00 0.00 N ATOM 647 CA LEU A 44 -6.280 12.797 -0.910 1.00 0.00 C ATOM 648 C LEU A 44 -5.256 12.520 -2.012 1.00 0.00 C ATOM 649 O LEU A 44 -4.654 13.446 -2.554 1.00 0.00 O ATOM 650 CB LEU A 44 -5.724 12.621 0.504 1.00 0.00 C ATOM 651 CG LEU A 44 -6.726 12.803 1.646 1.00 0.00 C ATOM 652 CD1 LEU A 44 -6.014 13.185 2.945 1.00 0.00 C ATOM 653 CD2 LEU A 44 -7.810 13.814 1.268 1.00 0.00 C ATOM 0 H LEU A 44 -7.633 11.300 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.558 13.848 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.292 11.623 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.910 13.332 0.644 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.222 11.848 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.749 13.308 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.311 12.399 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.474 14.121 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.509 13.925 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.349 14.778 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.345 13.461 0.387 1.00 0.00 H new ATOM 665 N ALA A 45 -5.088 11.240 -2.312 1.00 0.00 N ATOM 666 CA ALA A 45 -4.147 10.828 -3.340 1.00 0.00 C ATOM 667 C ALA A 45 -4.636 11.327 -4.701 1.00 0.00 C ATOM 668 O ALA A 45 -3.837 11.759 -5.531 1.00 0.00 O ATOM 669 CB ALA A 45 -3.981 9.308 -3.301 1.00 0.00 C ATOM 0 H ALA A 45 -5.588 10.474 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.166 11.267 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.275 8.999 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.604 9.008 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.945 8.832 -3.480 1.00 0.00 H new ATOM 675 N ARG A 46 -5.945 11.250 -4.889 1.00 0.00 N ATOM 676 CA ARG A 46 -6.549 11.688 -6.135 1.00 0.00 C ATOM 677 C ARG A 46 -6.196 13.151 -6.412 1.00 0.00 C ATOM 678 O ARG A 46 -5.907 13.519 -7.549 1.00 0.00 O ATOM 679 CB ARG A 46 -8.071 11.538 -6.092 1.00 0.00 C ATOM 680 CG ARG A 46 -8.498 10.142 -6.551 1.00 0.00 C ATOM 681 CD ARG A 46 -10.014 9.969 -6.444 1.00 0.00 C ATOM 682 NE ARG A 46 -10.332 8.807 -5.584 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.568 8.492 -5.174 1.00 0.00 C ATOM 684 NH1 ARG A 46 -12.610 9.249 -5.543 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.762 7.419 -4.395 1.00 0.00 N ATOM 0 H ARG A 46 -6.604 10.891 -4.199 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.155 11.058 -6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.429 11.717 -5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.532 12.291 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.182 9.982 -7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.999 9.387 -5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.463 10.872 -6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.443 9.826 -7.436 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.562 8.209 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.462 10.065 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.551 9.009 -5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.969 6.842 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.703 7.179 -4.083 1.00 0.00 H new ATOM 699 N ARG A 47 -6.231 13.945 -5.352 1.00 0.00 N ATOM 700 CA ARG A 47 -5.918 15.359 -5.466 1.00 0.00 C ATOM 701 C ARG A 47 -4.558 15.549 -6.140 1.00 0.00 C ATOM 702 O ARG A 47 -4.357 16.510 -6.882 1.00 0.00 O ATOM 703 CB ARG A 47 -5.896 16.031 -4.091 1.00 0.00 C ATOM 704 CG ARG A 47 -7.316 16.254 -3.567 1.00 0.00 C ATOM 705 CD ARG A 47 -7.323 16.386 -2.043 1.00 0.00 C ATOM 706 NE ARG A 47 -7.303 17.815 -1.658 1.00 0.00 N ATOM 707 CZ ARG A 47 -6.187 18.549 -1.553 1.00 0.00 C ATOM 708 NH1 ARG A 47 -4.994 17.994 -1.803 1.00 0.00 N ATOM 709 NH2 ARG A 47 -6.265 19.839 -1.197 1.00 0.00 N ATOM 0 H ARG A 47 -6.471 13.636 -4.410 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.696 15.823 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.338 15.412 -3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.375 16.986 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.736 17.154 -4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.953 15.422 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.209 15.903 -1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.457 15.875 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.195 18.269 -1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.935 17.012 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.145 18.553 -1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.174 20.261 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.416 20.398 -1.117 1.00 0.00 H new ATOM 723 N LYS A 48 -3.658 14.618 -5.860 1.00 0.00 N ATOM 724 CA LYS A 48 -2.323 14.670 -6.430 1.00 0.00 C ATOM 725 C LYS A 48 -2.392 14.304 -7.914 1.00 0.00 C ATOM 726 O LYS A 48 -1.476 14.609 -8.676 1.00 0.00 O ATOM 727 CB LYS A 48 -1.361 13.795 -5.625 1.00 0.00 C ATOM 728 CG LYS A 48 -1.473 14.091 -4.128 1.00 0.00 C ATOM 729 CD LYS A 48 -0.890 15.466 -3.796 1.00 0.00 C ATOM 730 CE LYS A 48 -1.383 15.956 -2.433 1.00 0.00 C ATOM 731 NZ LYS A 48 -1.644 17.412 -2.469 1.00 0.00 N ATOM 0 H LYS A 48 -3.828 13.822 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.923 15.682 -6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.580 12.743 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.338 13.971 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.519 14.052 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.947 13.323 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.199 15.413 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.174 16.181 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.293 15.424 -2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.639 15.733 -1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.978 17.728 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.767 17.916 -2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.371 17.617 -3.184 1.00 0.00 H new ATOM 745 N GLY A 49 -3.488 13.654 -8.280 1.00 0.00 N ATOM 746 CA GLY A 49 -3.688 13.243 -9.659 1.00 0.00 C ATOM 747 C GLY A 49 -3.461 11.738 -9.821 1.00 0.00 C ATOM 748 O GLY A 49 -3.400 11.233 -10.941 1.00 0.00 O ATOM 0 H GLY A 49 -4.246 13.402 -7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.699 13.498 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.004 13.790 -10.308 1.00 0.00 H new ATOM 752 N PHE A 50 -3.341 11.065 -8.686 1.00 0.00 N ATOM 753 CA PHE A 50 -3.121 9.628 -8.688 1.00 0.00 C ATOM 754 C PHE A 50 -4.405 8.878 -9.050 1.00 0.00 C ATOM 755 O PHE A 50 -5.483 9.213 -8.561 1.00 0.00 O ATOM 756 CB PHE A 50 -2.699 9.239 -7.270 1.00 0.00 C ATOM 757 CG PHE A 50 -1.193 9.333 -7.021 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.330 8.613 -7.788 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.716 10.138 -6.034 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.068 8.702 -7.557 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.682 10.226 -5.803 1.00 0.00 C ATOM 762 CZ PHE A 50 1.545 9.506 -6.569 1.00 0.00 C ATOM 0 H PHE A 50 -3.392 11.488 -7.759 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.361 9.368 -9.424 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.215 9.884 -6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.027 8.219 -7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.708 7.974 -8.572 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.401 10.710 -5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.753 8.131 -8.166 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.060 10.865 -5.019 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.608 9.573 -6.393 1.00 0.00 H new ATOM 772 N ARG A 51 -4.247 7.877 -9.904 1.00 0.00 N ATOM 773 CA ARG A 51 -5.379 7.077 -10.337 1.00 0.00 C ATOM 774 C ARG A 51 -5.775 6.082 -9.244 1.00 0.00 C ATOM 775 O ARG A 51 -5.477 4.892 -9.345 1.00 0.00 O ATOM 776 CB ARG A 51 -5.054 6.311 -11.621 1.00 0.00 C ATOM 777 CG ARG A 51 -6.248 5.471 -12.076 1.00 0.00 C ATOM 778 CD ARG A 51 -5.914 4.683 -13.344 1.00 0.00 C ATOM 779 NE ARG A 51 -6.877 5.018 -14.417 1.00 0.00 N ATOM 780 CZ ARG A 51 -6.946 4.377 -15.591 1.00 0.00 C ATOM 781 NH1 ARG A 51 -6.110 3.363 -15.851 1.00 0.00 N ATOM 782 NH2 ARG A 51 -7.852 4.749 -16.506 1.00 0.00 N ATOM 0 H ARG A 51 -3.351 7.602 -10.307 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.209 7.756 -10.533 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.778 7.013 -12.408 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.192 5.664 -11.455 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.537 4.783 -11.282 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.104 6.120 -12.262 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.900 4.914 -13.669 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.946 3.613 -13.136 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.529 5.785 -14.252 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.421 3.079 -15.155 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.163 2.875 -16.745 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.489 5.521 -16.308 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.904 4.261 -17.400 1.00 0.00 H new ATOM 796 N VAL A 52 -6.439 6.605 -8.224 1.00 0.00 N ATOM 797 CA VAL A 52 -6.878 5.778 -7.113 1.00 0.00 C ATOM 798 C VAL A 52 -8.153 5.031 -7.512 1.00 0.00 C ATOM 799 O VAL A 52 -8.961 5.544 -8.284 1.00 0.00 O ATOM 800 CB VAL A 52 -7.056 6.636 -5.859 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.341 5.765 -4.634 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.835 7.527 -5.627 1.00 0.00 C ATOM 0 H VAL A 52 -6.684 7.592 -8.144 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.123 5.029 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.918 7.284 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.463 6.400 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.254 5.193 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.509 5.080 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.987 8.127 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.949 6.905 -5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.697 8.186 -6.484 1.00 0.00 H new ATOM 812 N GLU A 53 -8.292 3.831 -6.968 1.00 0.00 N ATOM 813 CA GLU A 53 -9.454 3.008 -7.258 1.00 0.00 C ATOM 814 C GLU A 53 -10.101 2.527 -5.957 1.00 0.00 C ATOM 815 O GLU A 53 -9.456 2.506 -4.910 1.00 0.00 O ATOM 816 CB GLU A 53 -9.079 1.826 -8.154 1.00 0.00 C ATOM 817 CG GLU A 53 -8.281 2.293 -9.373 1.00 0.00 C ATOM 818 CD GLU A 53 -9.201 2.920 -10.423 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.154 3.611 -10.003 1.00 0.00 O ATOM 820 OE2 GLU A 53 -8.930 2.693 -11.622 1.00 0.00 O ATOM 0 H GLU A 53 -7.619 3.409 -6.328 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.180 3.615 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.492 1.106 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.983 1.312 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.529 3.019 -9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.748 1.448 -9.809 1.00 0.00 H new ATOM 827 N ASN A 54 -11.367 2.152 -6.067 1.00 0.00 N ATOM 828 CA ASN A 54 -12.108 1.672 -4.913 1.00 0.00 C ATOM 829 C ASN A 54 -11.982 0.149 -4.828 1.00 0.00 C ATOM 830 O ASN A 54 -11.670 -0.393 -3.769 1.00 0.00 O ATOM 831 CB ASN A 54 -13.594 2.018 -5.030 1.00 0.00 C ATOM 832 CG ASN A 54 -13.964 3.168 -4.092 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.479 2.974 -3.003 1.00 0.00 O ATOM 834 ND2 ASN A 54 -13.676 4.373 -4.574 1.00 0.00 N ATOM 0 H ASN A 54 -11.898 2.171 -6.937 1.00 0.00 H new ATOM 0 HA ASN A 54 -11.695 2.150 -4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.827 2.293 -6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.195 1.141 -4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.886 5.206 -4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.245 4.465 -5.494 1.00 0.00 H new ATOM 841 N GLU A 55 -12.231 -0.497 -5.958 1.00 0.00 N ATOM 842 CA GLU A 55 -12.149 -1.946 -6.024 1.00 0.00 C ATOM 843 C GLU A 55 -10.880 -2.373 -6.764 1.00 0.00 C ATOM 844 O GLU A 55 -10.370 -1.635 -7.607 1.00 0.00 O ATOM 845 CB GLU A 55 -13.395 -2.535 -6.689 1.00 0.00 C ATOM 846 CG GLU A 55 -14.631 -2.339 -5.808 1.00 0.00 C ATOM 847 CD GLU A 55 -15.913 -2.394 -6.642 1.00 0.00 C ATOM 848 OE1 GLU A 55 -16.368 -3.527 -6.908 1.00 0.00 O ATOM 849 OE2 GLU A 55 -16.408 -1.302 -6.994 1.00 0.00 O ATOM 0 H GLU A 55 -12.489 -0.044 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.101 -2.334 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.555 -2.059 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.243 -3.598 -6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.660 -3.111 -5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.568 -1.380 -5.295 1.00 0.00 H new ATOM 856 N LEU A 56 -10.405 -3.561 -6.422 1.00 0.00 N ATOM 857 CA LEU A 56 -9.205 -4.095 -7.043 1.00 0.00 C ATOM 858 C LEU A 56 -9.438 -4.247 -8.547 1.00 0.00 C ATOM 859 O LEU A 56 -10.577 -4.194 -9.011 1.00 0.00 O ATOM 860 CB LEU A 56 -8.776 -5.392 -6.353 1.00 0.00 C ATOM 861 CG LEU A 56 -7.623 -6.152 -7.012 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.328 -5.338 -6.959 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.454 -7.539 -6.388 1.00 0.00 C ATOM 0 H LEU A 56 -10.830 -4.170 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.372 -3.404 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.491 -5.158 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.639 -6.055 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.868 -6.299 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.525 -5.901 -7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.470 -4.394 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.066 -5.138 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.628 -8.058 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.242 -7.436 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.372 -8.112 -6.521 1.00 0.00 H new ATOM 875 N SER A 57 -8.342 -4.432 -9.268 1.00 0.00 N ATOM 876 CA SER A 57 -8.414 -4.592 -10.710 1.00 0.00 C ATOM 877 C SER A 57 -7.008 -4.770 -11.287 1.00 0.00 C ATOM 878 O SER A 57 -6.016 -4.605 -10.578 1.00 0.00 O ATOM 879 CB SER A 57 -9.108 -3.396 -11.364 1.00 0.00 C ATOM 880 OG SER A 57 -10.498 -3.632 -11.571 1.00 0.00 O ATOM 0 H SER A 57 -7.399 -4.475 -8.880 1.00 0.00 H new ATOM 0 HA SER A 57 -9.005 -5.482 -10.926 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.980 -2.515 -10.736 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.631 -3.178 -12.320 1.00 0.00 H new ATOM 0 HG SER A 57 -10.923 -3.852 -10.716 1.00 0.00 H new ATOM 886 N ASP A 58 -6.966 -5.104 -12.569 1.00 0.00 N ATOM 887 CA ASP A 58 -5.698 -5.306 -13.249 1.00 0.00 C ATOM 888 C ASP A 58 -4.937 -3.981 -13.303 1.00 0.00 C ATOM 889 O ASP A 58 -3.711 -3.969 -13.406 1.00 0.00 O ATOM 890 CB ASP A 58 -5.914 -5.786 -14.686 1.00 0.00 C ATOM 891 CG ASP A 58 -5.253 -4.923 -15.762 1.00 0.00 C ATOM 892 OD1 ASP A 58 -4.006 -4.836 -15.732 1.00 0.00 O ATOM 893 OD2 ASP A 58 -6.008 -4.371 -16.590 1.00 0.00 O ATOM 0 H ASP A 58 -7.790 -5.240 -13.154 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.136 -6.060 -12.698 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.534 -6.804 -14.774 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.985 -5.827 -14.882 1.00 0.00 H new ATOM 898 N SER A 59 -5.694 -2.896 -13.231 1.00 0.00 N ATOM 899 CA SER A 59 -5.106 -1.568 -13.270 1.00 0.00 C ATOM 900 C SER A 59 -4.327 -1.303 -11.980 1.00 0.00 C ATOM 901 O SER A 59 -3.335 -0.576 -11.988 1.00 0.00 O ATOM 902 CB SER A 59 -6.178 -0.496 -13.473 1.00 0.00 C ATOM 903 OG SER A 59 -7.172 -0.906 -14.408 1.00 0.00 O ATOM 0 H SER A 59 -6.710 -2.910 -13.146 1.00 0.00 H new ATOM 0 HA SER A 59 -4.421 -1.522 -14.117 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.651 -0.270 -12.517 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.709 0.424 -13.822 1.00 0.00 H new ATOM 0 HG SER A 59 -7.839 -0.195 -14.509 1.00 0.00 H new ATOM 909 N VAL A 60 -4.806 -1.906 -10.902 1.00 0.00 N ATOM 910 CA VAL A 60 -4.167 -1.744 -9.607 1.00 0.00 C ATOM 911 C VAL A 60 -2.701 -2.169 -9.710 1.00 0.00 C ATOM 912 O VAL A 60 -2.404 -3.348 -9.891 1.00 0.00 O ATOM 913 CB VAL A 60 -4.942 -2.521 -8.541 1.00 0.00 C ATOM 914 CG1 VAL A 60 -4.208 -2.489 -7.198 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.368 -1.986 -8.400 1.00 0.00 C ATOM 0 H VAL A 60 -5.630 -2.508 -10.899 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.181 -0.698 -9.302 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.006 -3.560 -8.864 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.780 -3.048 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.222 -2.940 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.099 -1.456 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.897 -2.556 -7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.336 -0.935 -8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.890 -2.085 -9.352 1.00 0.00 H new ATOM 925 N THR A 61 -1.823 -1.183 -9.590 1.00 0.00 N ATOM 926 CA THR A 61 -0.395 -1.440 -9.667 1.00 0.00 C ATOM 927 C THR A 61 0.260 -1.227 -8.301 1.00 0.00 C ATOM 928 O THR A 61 1.418 -1.589 -8.100 1.00 0.00 O ATOM 929 CB THR A 61 0.187 -0.549 -10.766 1.00 0.00 C ATOM 930 OG1 THR A 61 -0.197 0.769 -10.383 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.500 -0.760 -12.117 1.00 0.00 C ATOM 0 H THR A 61 -2.073 -0.206 -9.440 1.00 0.00 H new ATOM 0 HA THR A 61 -0.194 -2.478 -9.930 1.00 0.00 H new ATOM 0 HB THR A 61 1.254 -0.748 -10.867 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.284 1.026 -9.569 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.049 -0.104 -12.861 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.380 -1.798 -12.428 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.561 -0.529 -12.025 1.00 0.00 H new ATOM 939 N HIS A 62 -0.510 -0.639 -7.397 1.00 0.00 N ATOM 940 CA HIS A 62 -0.020 -0.373 -6.055 1.00 0.00 C ATOM 941 C HIS A 62 -1.179 -0.452 -5.060 1.00 0.00 C ATOM 942 O HIS A 62 -2.171 0.260 -5.199 1.00 0.00 O ATOM 943 CB HIS A 62 0.717 0.968 -6.002 1.00 0.00 C ATOM 944 CG HIS A 62 1.674 1.188 -7.149 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.355 1.960 -8.253 1.00 0.00 N ATOM 946 CD2 HIS A 62 2.943 0.732 -7.351 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.393 1.960 -9.076 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.376 1.199 -8.516 1.00 0.00 N ATOM 0 H HIS A 62 -1.470 -0.339 -7.568 1.00 0.00 H new ATOM 0 HA HIS A 62 0.708 -1.134 -5.772 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.017 1.774 -5.995 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.269 1.031 -5.064 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.501 0.098 -6.678 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.451 2.473 -10.025 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.293 1.018 -8.925 1.00 0.00 H new ATOM 956 N ILE A 63 -1.014 -1.326 -4.077 1.00 0.00 N ATOM 957 CA ILE A 63 -2.034 -1.509 -3.059 1.00 0.00 C ATOM 958 C ILE A 63 -1.534 -0.930 -1.733 1.00 0.00 C ATOM 959 O ILE A 63 -0.501 -1.354 -1.218 1.00 0.00 O ATOM 960 CB ILE A 63 -2.447 -2.979 -2.971 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.275 -3.389 -4.190 1.00 0.00 C ATOM 962 CG2 ILE A 63 -3.178 -3.266 -1.658 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.547 -4.895 -4.188 1.00 0.00 C ATOM 0 H ILE A 63 -0.189 -1.915 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.940 -0.964 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.543 -3.589 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.220 -2.845 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.747 -3.113 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.460 -4.318 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.522 -3.037 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.074 -2.648 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.137 -5.159 -5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.601 -5.436 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.097 -5.164 -3.286 1.00 0.00 H new ATOM 975 N VAL A 64 -2.291 0.029 -1.220 1.00 0.00 N ATOM 976 CA VAL A 64 -1.937 0.669 0.035 1.00 0.00 C ATOM 977 C VAL A 64 -2.680 -0.020 1.181 1.00 0.00 C ATOM 978 O VAL A 64 -3.850 -0.374 1.044 1.00 0.00 O ATOM 979 CB VAL A 64 -2.223 2.170 -0.045 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.855 2.869 1.266 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.491 2.805 -1.229 1.00 0.00 C ATOM 0 H VAL A 64 -3.147 0.378 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.870 0.564 0.230 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.294 2.299 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.068 3.935 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.441 2.445 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.794 2.726 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.711 3.872 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.417 2.660 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.823 2.336 -2.156 1.00 0.00 H new ATOM 991 N ALA A 65 -1.970 -0.191 2.287 1.00 0.00 N ATOM 992 CA ALA A 65 -2.547 -0.831 3.456 1.00 0.00 C ATOM 993 C ALA A 65 -1.923 -0.236 4.719 1.00 0.00 C ATOM 994 O ALA A 65 -0.851 0.366 4.662 1.00 0.00 O ATOM 995 CB ALA A 65 -2.342 -2.345 3.363 1.00 0.00 C ATOM 0 H ALA A 65 -1.000 0.103 2.398 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.621 -0.649 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.775 -2.825 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.829 -2.724 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.276 -2.566 3.318 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.619 -0.424 5.831 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.147 0.088 7.106 1.00 0.00 C ATOM 1003 C GLU A 66 -2.218 -1.004 8.175 1.00 0.00 C ATOM 1004 O GLU A 66 -3.258 -1.634 8.356 1.00 0.00 O ATOM 1005 CB GLU A 66 -2.943 1.323 7.530 1.00 0.00 C ATOM 1006 CG GLU A 66 -2.396 1.907 8.835 1.00 0.00 C ATOM 1007 CD GLU A 66 -3.531 2.413 9.727 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -4.075 1.579 10.482 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -3.828 3.624 9.634 1.00 0.00 O ATOM 0 H GLU A 66 -3.507 -0.924 5.875 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.106 0.390 6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.898 2.076 6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.992 1.057 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.823 1.147 9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.711 2.725 8.613 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.097 -1.195 8.856 1.00 0.00 N ATOM 1017 CA ASN A 67 -1.019 -2.200 9.902 1.00 0.00 C ATOM 1018 C ASN A 67 -1.206 -3.588 9.285 1.00 0.00 C ATOM 1019 O ASN A 67 -1.804 -4.469 9.900 1.00 0.00 O ATOM 1020 CB ASN A 67 -2.118 -1.995 10.946 1.00 0.00 C ATOM 1021 CG ASN A 67 -2.048 -0.590 11.547 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -1.109 0.158 11.333 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -3.092 -0.275 12.309 1.00 0.00 N ATOM 0 H ASN A 67 -0.236 -0.671 8.703 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.044 -2.112 10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.094 -2.150 10.487 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.016 -2.738 11.737 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.140 0.641 12.756 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.845 -0.949 12.447 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.682 -3.739 8.077 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.784 -5.005 7.371 1.00 0.00 C ATOM 1032 C ASN A 68 0.544 -5.301 6.672 1.00 0.00 C ATOM 1033 O ASN A 68 1.077 -4.454 5.958 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.879 -4.953 6.303 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.258 -5.188 6.921 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.583 -6.268 7.386 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -4.050 -4.119 6.899 1.00 0.00 N ATOM 0 H ASN A 68 -0.186 -3.006 7.570 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.027 -5.779 8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.860 -3.984 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.685 -5.707 5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.992 -4.174 7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.715 -3.245 6.494 1.00 0.00 H new ATOM 1044 N SER A 69 1.041 -6.508 6.902 1.00 0.00 N ATOM 1045 CA SER A 69 2.297 -6.927 6.304 1.00 0.00 C ATOM 1046 C SER A 69 2.066 -7.365 4.856 1.00 0.00 C ATOM 1047 O SER A 69 0.974 -7.808 4.504 1.00 0.00 O ATOM 1048 CB SER A 69 2.937 -8.062 7.105 1.00 0.00 C ATOM 1049 OG SER A 69 3.034 -7.748 8.492 1.00 0.00 O ATOM 0 H SER A 69 0.596 -7.209 7.495 1.00 0.00 H new ATOM 0 HA SER A 69 2.981 -6.079 6.316 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.349 -8.971 6.979 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.932 -8.269 6.710 1.00 0.00 H new ATOM 0 HG SER A 69 3.446 -8.498 8.969 1.00 0.00 H new ATOM 1055 N GLY A 70 3.112 -7.225 4.055 1.00 0.00 N ATOM 1056 CA GLY A 70 3.038 -7.601 2.653 1.00 0.00 C ATOM 1057 C GLY A 70 2.169 -8.846 2.465 1.00 0.00 C ATOM 1058 O GLY A 70 1.269 -8.859 1.627 1.00 0.00 O ATOM 0 H GLY A 70 4.016 -6.856 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.627 -6.775 2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.041 -7.792 2.270 1.00 0.00 H new ATOM 1062 N SER A 71 2.470 -9.864 3.259 1.00 0.00 N ATOM 1063 CA SER A 71 1.729 -11.111 3.190 1.00 0.00 C ATOM 1064 C SER A 71 0.238 -10.847 3.416 1.00 0.00 C ATOM 1065 O SER A 71 -0.601 -11.313 2.647 1.00 0.00 O ATOM 1066 CB SER A 71 2.250 -12.119 4.216 1.00 0.00 C ATOM 1067 OG SER A 71 2.468 -11.520 5.490 1.00 0.00 O ATOM 0 H SER A 71 3.217 -9.850 3.953 1.00 0.00 H new ATOM 0 HA SER A 71 1.870 -11.538 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.535 -12.936 4.317 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.182 -12.554 3.856 1.00 0.00 H new ATOM 0 HG SER A 71 2.799 -12.196 6.117 1.00 0.00 H new ATOM 1073 N ASP A 72 -0.044 -10.101 4.473 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.419 -9.770 4.809 1.00 0.00 C ATOM 1075 C ASP A 72 -2.136 -9.257 3.559 1.00 0.00 C ATOM 1076 O ASP A 72 -3.344 -9.438 3.413 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.476 -8.670 5.871 1.00 0.00 C ATOM 1078 CG ASP A 72 -0.835 -9.032 7.212 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -0.108 -10.048 7.238 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -1.086 -8.284 8.182 1.00 0.00 O ATOM 0 H ASP A 72 0.655 -9.716 5.108 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.898 -10.670 5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.983 -7.781 5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.519 -8.406 6.044 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.361 -8.628 2.687 1.00 0.00 N ATOM 1086 CA VAL A 73 -1.907 -8.088 1.454 1.00 0.00 C ATOM 1087 C VAL A 73 -1.728 -9.111 0.331 1.00 0.00 C ATOM 1088 O VAL A 73 -2.530 -9.164 -0.600 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.258 -6.738 1.141 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.919 -6.080 -0.072 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.303 -5.813 2.359 1.00 0.00 C ATOM 0 H VAL A 73 -0.359 -8.481 2.810 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.976 -7.903 1.559 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.211 -6.918 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.439 -5.122 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.812 -6.729 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.977 -5.920 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.835 -4.860 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.340 -5.643 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.766 -6.275 3.187 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.670 -9.900 0.455 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.376 -10.919 -0.538 1.00 0.00 C ATOM 1103 C LEU A 74 -1.414 -12.039 -0.436 1.00 0.00 C ATOM 1104 O LEU A 74 -1.978 -12.460 -1.445 1.00 0.00 O ATOM 1105 CB LEU A 74 1.068 -11.404 -0.395 1.00 0.00 C ATOM 1106 CG LEU A 74 1.250 -12.807 0.187 1.00 0.00 C ATOM 1107 CD1 LEU A 74 0.738 -13.874 -0.784 1.00 0.00 C ATOM 1108 CD2 LEU A 74 2.706 -13.050 0.589 1.00 0.00 C ATOM 0 H LEU A 74 -0.006 -9.854 1.228 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.451 -10.505 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.539 -11.376 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.607 -10.698 0.237 1.00 0.00 H new ATOM 0 HG LEU A 74 0.649 -12.881 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.879 -14.862 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.322 -13.711 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.292 -13.810 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.807 -14.055 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.347 -12.950 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.003 -12.319 1.341 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.634 -12.488 0.791 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.594 -13.551 1.037 1.00 0.00 C ATOM 1122 C GLU A 75 -3.988 -13.126 0.569 1.00 0.00 C ATOM 1123 O GLU A 75 -4.716 -13.919 -0.025 1.00 0.00 O ATOM 1124 CB GLU A 75 -2.608 -13.945 2.515 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.198 -14.277 3.007 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.128 -15.705 3.551 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -1.994 -16.035 4.391 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -0.212 -16.434 3.115 1.00 0.00 O ATOM 0 H GLU A 75 -1.164 -12.135 1.625 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.292 -14.428 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.022 -13.130 3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.260 -14.807 2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.487 -14.161 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.906 -13.573 3.786 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.317 -11.875 0.856 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.611 -11.335 0.473 1.00 0.00 C ATOM 1137 C TRP A 76 -5.673 -11.297 -1.055 1.00 0.00 C ATOM 1138 O TRP A 76 -6.705 -11.612 -1.646 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.846 -9.967 1.115 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.035 -9.201 0.532 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.286 -9.133 1.008 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -7.035 -8.393 -0.664 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.088 -8.343 0.209 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.303 -7.879 -0.840 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.996 -8.106 -1.568 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.652 -7.047 -1.910 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.361 -7.273 -2.632 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.634 -6.748 -2.823 1.00 0.00 C ATOM 0 H TRP A 76 -3.710 -11.220 1.349 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.418 -11.970 0.839 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.003 -10.102 2.185 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.946 -9.363 0.999 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.624 -9.633 1.904 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -10.076 -8.137 0.361 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.996 -8.497 -1.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.652 -6.657 -2.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.600 -7.020 -3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.837 -6.112 -3.672 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.555 -10.909 -1.652 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.470 -10.826 -3.100 1.00 0.00 C ATOM 1161 C LEU A 77 -5.001 -12.123 -3.713 1.00 0.00 C ATOM 1162 O LEU A 77 -5.892 -12.093 -4.561 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.044 -10.480 -3.533 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.907 -9.326 -4.528 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.104 -9.276 -5.479 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.698 -7.996 -3.800 1.00 0.00 C ATOM 0 H LEU A 77 -3.701 -10.649 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.098 -10.017 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.464 -10.237 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.593 -11.369 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.020 -9.504 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.981 -8.447 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.166 -10.211 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.019 -9.135 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.604 -7.192 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.551 -7.798 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.790 -8.049 -3.199 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.433 -13.231 -3.260 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.839 -14.536 -3.754 1.00 0.00 C ATOM 1180 C GLN A 78 -6.311 -14.793 -3.427 1.00 0.00 C ATOM 1181 O GLN A 78 -6.988 -15.535 -4.137 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.949 -15.640 -3.180 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.521 -15.529 -3.718 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.920 -16.914 -3.969 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -1.984 -17.806 -3.140 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -1.335 -17.042 -5.156 1.00 0.00 N ATOM 0 H GLN A 78 -3.695 -13.252 -2.556 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.721 -14.546 -4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.938 -15.574 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.363 -16.615 -3.436 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.521 -14.955 -4.645 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.902 -14.984 -3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.317 -16.254 -5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.904 -17.928 -5.419 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.764 -14.164 -2.352 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.144 -14.315 -1.923 1.00 0.00 C ATOM 1197 C ALA A 79 -9.064 -13.609 -2.920 1.00 0.00 C ATOM 1198 O ALA A 79 -10.239 -13.954 -3.038 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.298 -13.772 -0.501 1.00 0.00 C ATOM 0 H ALA A 79 -6.200 -13.549 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.427 -15.367 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.333 -13.885 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.645 -14.327 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.025 -12.717 -0.483 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.496 -12.632 -3.612 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.251 -11.874 -4.595 1.00 0.00 C ATOM 1207 C GLN A 80 -9.583 -12.753 -5.802 1.00 0.00 C ATOM 1208 O GLN A 80 -8.846 -13.686 -6.117 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.488 -10.619 -5.023 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.163 -9.735 -3.817 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.417 -9.465 -2.982 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -10.271 -8.670 -3.338 1.00 0.00 O ATOM 1213 NE2 GLN A 80 -9.479 -10.169 -1.856 1.00 0.00 N ATOM 0 H GLN A 80 -7.522 -12.348 -3.511 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.186 -11.552 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.565 -10.905 -5.528 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.083 -10.055 -5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.408 -10.220 -3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.738 -8.791 -4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.729 -10.818 -1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.277 -10.060 -1.230 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.692 -12.423 -6.447 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.131 -13.171 -7.613 1.00 0.00 C ATOM 1224 C LYS A 81 -10.817 -12.367 -8.876 1.00 0.00 C ATOM 1225 O LYS A 81 -10.948 -12.876 -9.988 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.606 -13.555 -7.479 1.00 0.00 C ATOM 1227 CG LYS A 81 -13.091 -14.308 -8.720 1.00 0.00 C ATOM 1228 CD LYS A 81 -14.102 -15.392 -8.343 1.00 0.00 C ATOM 1229 CE LYS A 81 -15.097 -15.633 -9.480 1.00 0.00 C ATOM 1230 NZ LYS A 81 -16.483 -15.647 -8.961 1.00 0.00 N ATOM 0 H LYS A 81 -11.300 -11.647 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.586 -14.112 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.745 -14.177 -6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.208 -12.658 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.547 -13.608 -9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.241 -14.760 -9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.577 -16.319 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.639 -15.096 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.993 -14.853 -10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.876 -16.581 -9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.146 -15.812 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.583 -16.407 -8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.696 -14.732 -8.514 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.407 -11.125 -8.663 1.00 0.00 N ATOM 1245 CA VAL A 82 -10.073 -10.247 -9.771 1.00 0.00 C ATOM 1246 C VAL A 82 -8.705 -10.639 -10.332 1.00 0.00 C ATOM 1247 O VAL A 82 -7.694 -10.537 -9.640 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.138 -8.786 -9.318 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.836 -7.838 -10.480 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -11.495 -8.467 -8.689 1.00 0.00 C ATOM 0 H VAL A 82 -10.299 -10.706 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.798 -10.356 -10.578 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.373 -8.637 -8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.889 -6.807 -10.131 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.836 -8.040 -10.864 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.568 -7.991 -11.274 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.515 -7.423 -8.376 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.285 -8.642 -9.420 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.654 -9.109 -7.822 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.718 -11.079 -11.582 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.491 -11.486 -12.245 1.00 0.00 C ATOM 1262 C GLN A 83 -6.704 -10.258 -12.707 1.00 0.00 C ATOM 1263 O GLN A 83 -7.055 -9.632 -13.706 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.786 -12.422 -13.418 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.610 -11.710 -14.493 1.00 0.00 C ATOM 1266 CD GLN A 83 -9.499 -12.700 -15.249 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -9.084 -13.350 -16.194 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -10.741 -12.779 -14.780 1.00 0.00 N ATOM 0 H GLN A 83 -9.559 -11.162 -12.153 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.880 -12.036 -11.529 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.850 -12.778 -13.848 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.327 -13.299 -13.061 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.228 -10.940 -14.032 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.943 -11.207 -15.193 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.023 -12.206 -13.985 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.411 -13.413 -15.216 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.655 -9.951 -11.958 1.00 0.00 N ATOM 1278 CA VAL A 84 -4.816 -8.809 -12.279 1.00 0.00 C ATOM 1279 C VAL A 84 -3.799 -9.213 -13.349 1.00 0.00 C ATOM 1280 O VAL A 84 -3.375 -10.366 -13.404 1.00 0.00 O ATOM 1281 CB VAL A 84 -4.161 -8.267 -11.007 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -3.186 -9.287 -10.415 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.462 -6.933 -11.275 1.00 0.00 C ATOM 0 H VAL A 84 -5.367 -10.473 -11.130 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.417 -7.998 -12.691 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.949 -8.091 -10.274 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.734 -8.877 -9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.723 -10.203 -10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.405 -9.509 -11.143 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.005 -6.570 -10.354 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.691 -7.072 -12.033 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.191 -6.205 -11.629 1.00 0.00 H new ATOM 1293 N SER A 85 -3.438 -8.241 -14.173 1.00 0.00 N ATOM 1294 CA SER A 85 -2.479 -8.480 -15.239 1.00 0.00 C ATOM 1295 C SER A 85 -1.081 -8.679 -14.650 1.00 0.00 C ATOM 1296 O SER A 85 -0.153 -9.060 -15.361 1.00 0.00 O ATOM 1297 CB SER A 85 -2.473 -7.327 -16.244 1.00 0.00 C ATOM 1298 OG SER A 85 -3.613 -7.357 -17.099 1.00 0.00 O ATOM 0 H SER A 85 -3.792 -7.286 -14.124 1.00 0.00 H new ATOM 0 HA SER A 85 -2.775 -9.385 -15.769 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.447 -6.379 -15.707 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.566 -7.377 -16.847 1.00 0.00 H new ATOM 0 HG SER A 85 -3.573 -6.604 -17.725 1.00 0.00 H new ATOM 1304 N SER A 86 -0.975 -8.412 -13.356 1.00 0.00 N ATOM 1305 CA SER A 86 0.294 -8.557 -12.664 1.00 0.00 C ATOM 1306 C SER A 86 0.142 -8.137 -11.200 1.00 0.00 C ATOM 1307 O SER A 86 -0.379 -7.062 -10.910 1.00 0.00 O ATOM 1308 CB SER A 86 1.389 -7.731 -13.342 1.00 0.00 C ATOM 1309 OG SER A 86 2.617 -7.778 -12.621 1.00 0.00 O ATOM 0 H SER A 86 -1.747 -8.096 -12.769 1.00 0.00 H new ATOM 0 HA SER A 86 0.589 -9.605 -12.706 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.549 -8.102 -14.354 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.060 -6.696 -13.430 1.00 0.00 H new ATOM 0 HG SER A 86 3.291 -7.240 -13.087 1.00 0.00 H new ATOM 1315 N GLN A 87 0.607 -9.008 -10.317 1.00 0.00 N ATOM 1316 CA GLN A 87 0.530 -8.742 -8.891 1.00 0.00 C ATOM 1317 C GLN A 87 0.943 -7.298 -8.598 1.00 0.00 C ATOM 1318 O GLN A 87 2.030 -6.869 -8.982 1.00 0.00 O ATOM 1319 CB GLN A 87 1.391 -9.729 -8.101 1.00 0.00 C ATOM 1320 CG GLN A 87 0.621 -10.293 -6.905 1.00 0.00 C ATOM 1321 CD GLN A 87 1.578 -10.861 -5.855 1.00 0.00 C ATOM 1322 OE1 GLN A 87 2.566 -10.249 -5.483 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.231 -12.061 -5.399 1.00 0.00 N ATOM 0 H GLN A 87 1.039 -9.899 -10.562 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.503 -8.876 -8.572 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.706 -10.544 -8.752 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.296 -9.231 -7.753 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.010 -9.508 -6.459 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.060 -11.074 -7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.391 -12.518 -5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.805 -12.525 -4.695 1.00 0.00 H new ATOM 1332 N PRO A 88 0.030 -6.569 -7.902 1.00 0.00 N ATOM 1333 CA PRO A 88 0.289 -5.182 -7.553 1.00 0.00 C ATOM 1334 C PRO A 88 1.294 -5.084 -6.404 1.00 0.00 C ATOM 1335 O PRO A 88 1.579 -6.078 -5.737 1.00 0.00 O ATOM 1336 CB PRO A 88 -1.073 -4.604 -7.201 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.971 -5.797 -6.917 1.00 0.00 C ATOM 1338 CD PRO A 88 -1.267 -7.043 -7.430 1.00 0.00 C ATOM 0 HA PRO A 88 0.747 -4.622 -8.368 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.007 -3.949 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.467 -4.005 -8.022 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.166 -5.882 -5.848 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.936 -5.674 -7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.154 -7.787 -6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.833 -7.515 -8.234 1.00 0.00 H new ATOM 1346 N GLU A 89 1.805 -3.878 -6.208 1.00 0.00 N ATOM 1347 CA GLU A 89 2.772 -3.637 -5.151 1.00 0.00 C ATOM 1348 C GLU A 89 2.057 -3.268 -3.850 1.00 0.00 C ATOM 1349 O GLU A 89 1.126 -2.464 -3.856 1.00 0.00 O ATOM 1350 CB GLU A 89 3.768 -2.549 -5.556 1.00 0.00 C ATOM 1351 CG GLU A 89 5.125 -3.155 -5.921 1.00 0.00 C ATOM 1352 CD GLU A 89 5.609 -4.112 -4.829 1.00 0.00 C ATOM 1353 OE1 GLU A 89 5.401 -3.772 -3.644 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.177 -5.160 -5.204 1.00 0.00 O ATOM 0 H GLU A 89 1.567 -3.056 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 89 3.335 -4.556 -4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.375 -1.990 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.891 -1.840 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.046 -3.688 -6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.856 -2.359 -6.063 1.00 0.00 H new ATOM 1361 N LEU A 90 2.519 -3.873 -2.765 1.00 0.00 N ATOM 1362 CA LEU A 90 1.935 -3.618 -1.460 1.00 0.00 C ATOM 1363 C LEU A 90 2.862 -2.700 -0.661 1.00 0.00 C ATOM 1364 O LEU A 90 3.960 -3.101 -0.278 1.00 0.00 O ATOM 1365 CB LEU A 90 1.613 -4.935 -0.750 1.00 0.00 C ATOM 1366 CG LEU A 90 1.151 -6.085 -1.647 1.00 0.00 C ATOM 1367 CD1 LEU A 90 0.245 -5.574 -2.770 1.00 0.00 C ATOM 1368 CD2 LEU A 90 2.345 -6.873 -2.188 1.00 0.00 C ATOM 0 H LEU A 90 3.291 -4.539 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 90 0.983 -3.098 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.501 -5.258 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.837 -4.745 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 90 0.559 -6.773 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.069 -6.411 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.633 -5.093 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.791 -4.854 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.988 -7.684 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.984 -6.210 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.915 -7.287 -1.356 1.00 0.00 H new ATOM 1380 N LEU A 91 2.387 -1.484 -0.434 1.00 0.00 N ATOM 1381 CA LEU A 91 3.160 -0.505 0.311 1.00 0.00 C ATOM 1382 C LEU A 91 2.341 -0.021 1.509 1.00 0.00 C ATOM 1383 O LEU A 91 1.113 -0.088 1.494 1.00 0.00 O ATOM 1384 CB LEU A 91 3.628 0.623 -0.610 1.00 0.00 C ATOM 1385 CG LEU A 91 3.979 0.216 -2.043 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.571 1.305 -3.037 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.461 -0.144 -2.164 1.00 0.00 C ATOM 0 H LEU A 91 1.476 -1.154 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 91 4.069 -0.959 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.846 1.381 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.504 1.092 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 91 3.409 -0.679 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.831 0.991 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.495 1.471 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.095 2.230 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.683 -0.429 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.069 0.718 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.689 -0.977 -1.499 1.00 0.00 H new ATOM 1399 N ASP A 92 3.054 0.457 2.519 1.00 0.00 N ATOM 1400 CA ASP A 92 2.408 0.953 3.722 1.00 0.00 C ATOM 1401 C ASP A 92 1.799 2.328 3.440 1.00 0.00 C ATOM 1402 O ASP A 92 2.332 3.094 2.639 1.00 0.00 O ATOM 1403 CB ASP A 92 3.415 1.108 4.864 1.00 0.00 C ATOM 1404 CG ASP A 92 2.837 0.915 6.267 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.916 1.687 6.612 1.00 0.00 O ATOM 1406 OD2 ASP A 92 3.329 0.001 6.963 1.00 0.00 O ATOM 0 H ASP A 92 4.073 0.511 2.528 1.00 0.00 H new ATOM 0 HA ASP A 92 1.640 0.236 4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.221 0.389 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.859 2.102 4.804 1.00 0.00 H new ATOM 1411 N VAL A 93 0.690 2.598 4.113 1.00 0.00 N ATOM 1412 CA VAL A 93 0.002 3.866 3.944 1.00 0.00 C ATOM 1413 C VAL A 93 1.032 4.997 3.894 1.00 0.00 C ATOM 1414 O VAL A 93 0.797 6.028 3.265 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.034 4.051 5.054 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.364 4.097 6.429 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.877 5.305 4.814 1.00 0.00 C ATOM 0 H VAL A 93 0.251 1.960 4.777 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.545 3.881 3.001 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.701 3.189 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.123 4.229 7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.172 3.164 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.338 4.931 6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.606 5.413 5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.228 6.181 4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.398 5.216 3.861 1.00 0.00 H new ATOM 1427 N SER A 94 2.151 4.765 4.564 1.00 0.00 N ATOM 1428 CA SER A 94 3.218 5.751 4.604 1.00 0.00 C ATOM 1429 C SER A 94 3.548 6.222 3.186 1.00 0.00 C ATOM 1430 O SER A 94 3.555 7.421 2.912 1.00 0.00 O ATOM 1431 CB SER A 94 4.468 5.184 5.279 1.00 0.00 C ATOM 1432 OG SER A 94 4.163 4.548 6.517 1.00 0.00 O ATOM 0 H SER A 94 2.342 3.908 5.084 1.00 0.00 H new ATOM 0 HA SER A 94 2.875 6.602 5.193 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.947 4.468 4.612 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.184 5.988 5.451 1.00 0.00 H new ATOM 0 HG SER A 94 4.986 4.197 6.916 1.00 0.00 H new ATOM 1438 N TRP A 95 3.813 5.253 2.322 1.00 0.00 N ATOM 1439 CA TRP A 95 4.144 5.553 0.939 1.00 0.00 C ATOM 1440 C TRP A 95 3.163 6.616 0.439 1.00 0.00 C ATOM 1441 O TRP A 95 3.576 7.646 -0.091 1.00 0.00 O ATOM 1442 CB TRP A 95 4.136 4.283 0.086 1.00 0.00 C ATOM 1443 CG TRP A 95 4.557 4.508 -1.368 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.770 4.838 -1.834 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.712 4.405 -2.534 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.768 4.955 -3.209 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.477 4.683 -3.648 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.347 4.088 -2.643 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 3.966 4.672 -4.951 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.851 4.081 -3.952 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.608 4.358 -5.084 1.00 0.00 C ATOM 0 H TRP A 95 3.805 4.259 2.553 1.00 0.00 H new ATOM 0 HA TRP A 95 5.156 5.949 0.861 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.804 3.550 0.538 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.134 3.853 0.101 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.639 4.993 -1.212 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.567 5.197 -3.796 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.730 3.867 -1.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.586 4.894 -5.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.807 3.844 -4.092 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.151 4.331 -6.062 1.00 0.00 H new ATOM 1462 N LEU A 96 1.883 6.328 0.624 1.00 0.00 N ATOM 1463 CA LEU A 96 0.841 7.246 0.198 1.00 0.00 C ATOM 1464 C LEU A 96 1.097 8.623 0.815 1.00 0.00 C ATOM 1465 O LEU A 96 1.287 9.603 0.096 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.541 6.675 0.522 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.705 7.226 -0.304 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.317 7.359 -1.778 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -2.962 6.374 -0.117 1.00 0.00 C ATOM 0 H LEU A 96 1.544 5.472 1.063 1.00 0.00 H new ATOM 0 HA LEU A 96 0.863 7.372 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.506 5.594 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.750 6.859 1.576 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.938 8.227 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.162 7.753 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.470 8.039 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.042 6.380 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.774 6.788 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.760 5.352 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.249 6.375 0.935 1.00 0.00 H new ATOM 1481 N ILE A 97 1.093 8.653 2.139 1.00 0.00 N ATOM 1482 CA ILE A 97 1.322 9.894 2.860 1.00 0.00 C ATOM 1483 C ILE A 97 2.433 10.684 2.166 1.00 0.00 C ATOM 1484 O ILE A 97 2.302 11.888 1.950 1.00 0.00 O ATOM 1485 CB ILE A 97 1.599 9.611 4.338 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.330 9.146 5.055 1.00 0.00 C ATOM 1487 CG2 ILE A 97 2.230 10.827 5.020 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.671 8.417 6.356 1.00 0.00 C ATOM 0 H ILE A 97 0.935 7.838 2.732 1.00 0.00 H new ATOM 0 HA ILE A 97 0.428 10.517 2.841 1.00 0.00 H new ATOM 0 HB ILE A 97 2.320 8.796 4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.305 10.005 5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.239 8.485 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.417 10.599 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.172 11.072 4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.552 11.677 4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.249 8.097 6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.286 7.545 6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.219 9.089 7.017 1.00 0.00 H new ATOM 1500 N GLU A 98 3.503 9.975 1.836 1.00 0.00 N ATOM 1501 CA GLU A 98 4.636 10.594 1.171 1.00 0.00 C ATOM 1502 C GLU A 98 4.277 10.944 -0.275 1.00 0.00 C ATOM 1503 O GLU A 98 4.553 12.050 -0.736 1.00 0.00 O ATOM 1504 CB GLU A 98 5.867 9.688 1.226 1.00 0.00 C ATOM 1505 CG GLU A 98 6.406 9.581 2.654 1.00 0.00 C ATOM 1506 CD GLU A 98 7.850 10.080 2.735 1.00 0.00 C ATOM 1507 OE1 GLU A 98 8.693 9.496 2.020 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.078 11.034 3.509 1.00 0.00 O ATOM 0 H GLU A 98 3.609 8.977 2.017 1.00 0.00 H new ATOM 0 HA GLU A 98 4.881 11.516 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.609 8.696 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.643 10.082 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.778 10.164 3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.356 8.545 2.988 1.00 0.00 H new ATOM 1515 N CYS A 99 3.667 9.980 -0.949 1.00 0.00 N ATOM 1516 CA CYS A 99 3.268 10.173 -2.333 1.00 0.00 C ATOM 1517 C CYS A 99 2.397 11.428 -2.411 1.00 0.00 C ATOM 1518 O CYS A 99 2.285 12.045 -3.470 1.00 0.00 O ATOM 1519 CB CYS A 99 2.547 8.943 -2.889 1.00 0.00 C ATOM 1520 SG CYS A 99 3.673 7.500 -2.880 1.00 0.00 S ATOM 0 H CYS A 99 3.439 9.064 -0.563 1.00 0.00 H new ATOM 0 HA CYS A 99 4.153 10.307 -2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.662 8.728 -2.290 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.204 9.141 -3.905 1.00 0.00 H new ATOM 0 HG CYS A 99 2.976 6.406 -2.788 1.00 0.00 H new ATOM 1526 N ILE A 100 1.803 11.770 -1.277 1.00 0.00 N ATOM 1527 CA ILE A 100 0.946 12.941 -1.205 1.00 0.00 C ATOM 1528 C ILE A 100 1.803 14.179 -0.938 1.00 0.00 C ATOM 1529 O ILE A 100 1.815 15.114 -1.737 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.165 12.729 -0.174 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.120 11.618 -0.618 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -0.902 14.038 0.115 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.152 11.316 0.470 1.00 0.00 C ATOM 0 H ILE A 100 1.898 11.257 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 100 0.440 13.102 -2.157 1.00 0.00 H new ATOM 0 HB ILE A 100 0.293 12.405 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.629 11.916 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.553 10.716 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.686 13.859 0.851 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.198 14.773 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.347 14.416 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.818 10.523 0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.641 10.995 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.734 12.214 0.679 1.00 0.00 H new ATOM 1545 N GLY A 101 2.501 14.146 0.188 1.00 0.00 N ATOM 1546 CA GLY A 101 3.359 15.254 0.570 1.00 0.00 C ATOM 1547 C GLY A 101 4.456 15.482 -0.472 1.00 0.00 C ATOM 1548 O GLY A 101 5.096 16.533 -0.486 1.00 0.00 O ATOM 0 H GLY A 101 2.489 13.369 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.762 16.160 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.811 15.051 1.541 1.00 0.00 H new ATOM 1552 N ALA A 102 4.640 14.481 -1.320 1.00 0.00 N ATOM 1553 CA ALA A 102 5.648 14.559 -2.363 1.00 0.00 C ATOM 1554 C ALA A 102 4.987 14.988 -3.675 1.00 0.00 C ATOM 1555 O ALA A 102 5.644 15.547 -4.552 1.00 0.00 O ATOM 1556 CB ALA A 102 6.364 13.212 -2.484 1.00 0.00 C ATOM 0 H ALA A 102 4.108 13.611 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 102 6.401 15.307 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.120 13.271 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.842 12.967 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.641 12.437 -2.736 1.00 0.00 H new ATOM 1562 N GLY A 103 3.695 14.710 -3.767 1.00 0.00 N ATOM 1563 CA GLY A 103 2.937 15.059 -4.957 1.00 0.00 C ATOM 1564 C GLY A 103 3.369 14.207 -6.152 1.00 0.00 C ATOM 1565 O GLY A 103 3.134 14.578 -7.301 1.00 0.00 O ATOM 0 H GLY A 103 3.154 14.247 -3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.873 14.916 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.081 16.115 -5.188 1.00 0.00 H new ATOM 1569 N LYS A 104 3.993 13.081 -5.840 1.00 0.00 N ATOM 1570 CA LYS A 104 4.459 12.173 -6.874 1.00 0.00 C ATOM 1571 C LYS A 104 4.680 10.786 -6.267 1.00 0.00 C ATOM 1572 O LYS A 104 4.657 10.627 -5.048 1.00 0.00 O ATOM 1573 CB LYS A 104 5.697 12.743 -7.570 1.00 0.00 C ATOM 1574 CG LYS A 104 6.979 12.274 -6.881 1.00 0.00 C ATOM 1575 CD LYS A 104 8.217 12.721 -7.661 1.00 0.00 C ATOM 1576 CE LYS A 104 9.233 13.396 -6.738 1.00 0.00 C ATOM 1577 NZ LYS A 104 9.874 14.541 -7.422 1.00 0.00 N ATOM 0 H LYS A 104 4.187 12.777 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 104 3.705 12.065 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.707 12.432 -8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.654 13.832 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.019 12.675 -5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.973 11.187 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.677 11.859 -8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.923 13.412 -8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.737 13.739 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.992 12.675 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.561 14.988 -6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.364 14.205 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.148 15.236 -7.690 1.00 0.00 H new ATOM 1591 N PRO A 105 4.896 9.791 -7.169 1.00 0.00 N ATOM 1592 CA PRO A 105 5.121 8.423 -6.735 1.00 0.00 C ATOM 1593 C PRO A 105 6.529 8.254 -6.161 1.00 0.00 C ATOM 1594 O PRO A 105 7.443 7.823 -6.863 1.00 0.00 O ATOM 1595 CB PRO A 105 4.879 7.573 -7.972 1.00 0.00 C ATOM 1596 CG PRO A 105 4.983 8.520 -9.156 1.00 0.00 C ATOM 1597 CD PRO A 105 4.931 9.942 -8.621 1.00 0.00 C ATOM 0 HA PRO A 105 4.455 8.124 -5.925 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.616 6.773 -8.046 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.897 7.100 -7.935 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.912 8.350 -9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.167 8.346 -9.857 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.801 10.517 -8.938 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.050 10.470 -8.986 1.00 0.00 H new ATOM 1605 N VAL A 106 6.661 8.604 -4.890 1.00 0.00 N ATOM 1606 CA VAL A 106 7.942 8.497 -4.213 1.00 0.00 C ATOM 1607 C VAL A 106 8.587 7.153 -4.561 1.00 0.00 C ATOM 1608 O VAL A 106 7.907 6.232 -5.008 1.00 0.00 O ATOM 1609 CB VAL A 106 7.758 8.699 -2.708 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.340 10.138 -2.395 1.00 0.00 C ATOM 1611 CG2 VAL A 106 6.749 7.699 -2.139 1.00 0.00 C ATOM 0 H VAL A 106 5.901 8.962 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 106 8.619 9.281 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 106 8.718 8.516 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.216 10.255 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.109 10.825 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.397 10.360 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.637 7.865 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.785 7.835 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.105 6.684 -2.314 1.00 0.00 H new ATOM 1621 N GLU A 107 9.892 7.085 -4.342 1.00 0.00 N ATOM 1622 CA GLU A 107 10.637 5.870 -4.627 1.00 0.00 C ATOM 1623 C GLU A 107 10.341 4.807 -3.567 1.00 0.00 C ATOM 1624 O GLU A 107 9.840 5.122 -2.489 1.00 0.00 O ATOM 1625 CB GLU A 107 12.137 6.155 -4.715 1.00 0.00 C ATOM 1626 CG GLU A 107 12.737 6.372 -3.324 1.00 0.00 C ATOM 1627 CD GLU A 107 13.928 7.330 -3.384 1.00 0.00 C ATOM 1628 OE1 GLU A 107 14.899 6.985 -4.091 1.00 0.00 O ATOM 1629 OE2 GLU A 107 13.841 8.386 -2.721 1.00 0.00 O ATOM 0 H GLU A 107 10.453 7.852 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 107 10.317 5.488 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.641 5.322 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.307 7.038 -5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.976 6.773 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.055 5.416 -2.908 1.00 0.00 H new ATOM 1636 N MET A 108 10.665 3.569 -3.911 1.00 0.00 N ATOM 1637 CA MET A 108 10.441 2.457 -3.003 1.00 0.00 C ATOM 1638 C MET A 108 11.763 1.944 -2.428 1.00 0.00 C ATOM 1639 O MET A 108 12.400 1.069 -3.013 1.00 0.00 O ATOM 1640 CB MET A 108 9.734 1.323 -3.749 1.00 0.00 C ATOM 1641 CG MET A 108 8.216 1.511 -3.720 1.00 0.00 C ATOM 1642 SD MET A 108 7.414 0.129 -4.516 1.00 0.00 S ATOM 1643 CE MET A 108 7.536 0.639 -6.222 1.00 0.00 C ATOM 0 H MET A 108 11.081 3.312 -4.806 1.00 0.00 H new ATOM 0 HA MET A 108 9.819 2.805 -2.179 1.00 0.00 H new ATOM 0 HB2 MET A 108 10.080 1.291 -4.782 1.00 0.00 H new ATOM 0 HB3 MET A 108 9.994 0.367 -3.296 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.872 1.597 -2.689 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.946 2.439 -4.225 1.00 0.00 H new ATOM 0 HE1 MET A 108 7.080 -0.117 -6.861 1.00 0.00 H new ATOM 0 HE2 MET A 108 7.018 1.588 -6.356 1.00 0.00 H new ATOM 0 HE3 MET A 108 8.585 0.757 -6.492 1.00 0.00 H new ATOM 1653 N THR A 109 12.135 2.509 -1.289 1.00 0.00 N ATOM 1654 CA THR A 109 13.369 2.120 -0.628 1.00 0.00 C ATOM 1655 C THR A 109 13.171 0.814 0.144 1.00 0.00 C ATOM 1656 O THR A 109 14.083 0.347 0.824 1.00 0.00 O ATOM 1657 CB THR A 109 13.821 3.285 0.254 1.00 0.00 C ATOM 1658 OG1 THR A 109 12.676 3.584 1.048 1.00 0.00 O ATOM 1659 CG2 THR A 109 14.064 4.566 -0.546 1.00 0.00 C ATOM 0 H THR A 109 11.603 3.234 -0.807 1.00 0.00 H new ATOM 0 HA THR A 109 14.158 1.917 -1.352 1.00 0.00 H new ATOM 0 HB THR A 109 14.734 3.008 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.825 4.422 1.534 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.383 5.361 0.128 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.840 4.388 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 109 13.142 4.863 -1.047 1.00 0.00 H new ATOM 1667 N GLY A 110 11.974 0.261 0.012 1.00 0.00 N ATOM 1668 CA GLY A 110 11.646 -0.982 0.689 1.00 0.00 C ATOM 1669 C GLY A 110 10.755 -0.725 1.906 1.00 0.00 C ATOM 1670 O GLY A 110 9.705 -1.348 2.055 1.00 0.00 O ATOM 0 H GLY A 110 11.220 0.651 -0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 110 11.138 -1.654 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.562 -1.482 1.004 1.00 0.00 H new ATOM 1674 N LYS A 111 11.207 0.195 2.746 1.00 0.00 N ATOM 1675 CA LYS A 111 10.465 0.542 3.946 1.00 0.00 C ATOM 1676 C LYS A 111 9.000 0.790 3.580 1.00 0.00 C ATOM 1677 O LYS A 111 8.106 0.555 4.391 1.00 0.00 O ATOM 1678 CB LYS A 111 11.127 1.720 4.664 1.00 0.00 C ATOM 1679 CG LYS A 111 11.270 2.922 3.728 1.00 0.00 C ATOM 1680 CD LYS A 111 12.003 4.072 4.421 1.00 0.00 C ATOM 1681 CE LYS A 111 11.064 5.255 4.664 1.00 0.00 C ATOM 1682 NZ LYS A 111 11.474 6.419 3.848 1.00 0.00 N ATOM 0 H LYS A 111 12.078 0.711 2.619 1.00 0.00 H new ATOM 0 HA LYS A 111 10.482 -0.284 4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.533 2.001 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 111 12.109 1.422 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 111 11.815 2.626 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 111 10.284 3.256 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.412 3.727 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 111 12.846 4.392 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 111 10.041 4.972 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 111 11.073 5.523 5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 10.826 7.213 4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.442 6.699 4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.442 6.165 2.840 1.00 0.00 H new ATOM 1696 N HIS A 112 8.800 1.263 2.358 1.00 0.00 N ATOM 1697 CA HIS A 112 7.460 1.545 1.875 1.00 0.00 C ATOM 1698 C HIS A 112 6.682 0.236 1.723 1.00 0.00 C ATOM 1699 O HIS A 112 5.484 0.186 1.997 1.00 0.00 O ATOM 1700 CB HIS A 112 7.509 2.359 0.581 1.00 0.00 C ATOM 1701 CG HIS A 112 8.202 3.694 0.720 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.693 4.400 -0.364 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.479 4.442 1.826 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.240 5.522 0.082 1.00 0.00 C ATOM 1705 NE2 HIS A 112 9.107 5.546 1.439 1.00 0.00 N ATOM 0 H HIS A 112 9.544 1.458 1.688 1.00 0.00 H new ATOM 0 HA HIS A 112 6.930 2.159 2.603 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.019 1.774 -0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.491 2.525 0.230 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.643 4.107 -1.340 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.230 4.181 2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.709 6.284 -0.523 1.00 0.00 H new ATOM 1713 N GLN A 113 7.396 -0.791 1.286 1.00 0.00 N ATOM 1714 CA GLN A 113 6.788 -2.097 1.094 1.00 0.00 C ATOM 1715 C GLN A 113 6.561 -2.780 2.444 1.00 0.00 C ATOM 1716 O GLN A 113 7.492 -2.923 3.236 1.00 0.00 O ATOM 1717 CB GLN A 113 7.644 -2.970 0.174 1.00 0.00 C ATOM 1718 CG GLN A 113 7.748 -2.357 -1.223 1.00 0.00 C ATOM 1719 CD GLN A 113 8.640 -3.208 -2.131 1.00 0.00 C ATOM 1720 OE1 GLN A 113 9.407 -4.044 -1.683 1.00 0.00 O ATOM 1721 NE2 GLN A 113 8.496 -2.949 -3.427 1.00 0.00 N ATOM 0 H GLN A 113 8.389 -0.745 1.059 1.00 0.00 H new ATOM 0 HA GLN A 113 5.820 -1.959 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.641 -3.085 0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.210 -3.967 0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 113 6.754 -2.271 -1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.153 -1.348 -1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 113 7.835 -2.235 -3.734 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.046 -3.464 -4.114 1.00 0.00 H new ATOM 1730 N LEU A 114 5.319 -3.184 2.665 1.00 0.00 N ATOM 1731 CA LEU A 114 4.958 -3.849 3.905 1.00 0.00 C ATOM 1732 C LEU A 114 6.069 -4.826 4.298 1.00 0.00 C ATOM 1733 O LEU A 114 6.745 -4.629 5.306 1.00 0.00 O ATOM 1734 CB LEU A 114 3.580 -4.502 3.782 1.00 0.00 C ATOM 1735 CG LEU A 114 2.416 -3.559 3.472 1.00 0.00 C ATOM 1736 CD1 LEU A 114 2.590 -2.219 4.189 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.240 -3.383 1.962 1.00 0.00 C ATOM 0 H LEU A 114 4.550 -3.064 2.006 1.00 0.00 H new ATOM 0 HA LEU A 114 4.870 -3.124 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.627 -5.259 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.362 -5.022 4.715 1.00 0.00 H new ATOM 0 HG LEU A 114 1.500 -4.011 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.749 -1.567 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.628 -2.385 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.517 -1.749 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.406 -2.708 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.152 -2.964 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.037 -4.351 1.504 1.00 0.00 H new