USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 662 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 Single : A 22 ASN : amide:sc= -4.63! C(o=-4.6!,f=-2.9!) USER MOD Single : A 25 GLN : amide:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -4.88! K(o=-4.9!,f=-3.1) USER MOD Single : A 42 LYS NZ :NH3+ 138:sc= -3.47! (180deg=-5.98!) USER MOD Single : A 44 THR OG1 : rot 139:sc= 0.837 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0381) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= -2.48! (180deg=-2.54!) USER MOD Single : A 52 SER OG : rot 180:sc= -1.83 USER MOD Single : A 55 SER OG : rot 180:sc= -0.481 USER MOD Single : A 58 MET CE :methyl -131:sc= -0.0636 (180deg=-0.247) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -8.52! C(o=-8.5!,f=-8!) USER MOD Single : A 71 GLN : amide:sc= -2.49 K(o=-2.5,f=-4.2!) USER MOD Single : A 77 LYS NZ :NH3+ 158:sc= 0.205 (180deg=0.0738) USER MOD Single : A 80 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.2!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 155:sc= -1.38 (180deg=-1.96) USER MOD Single : A 88 GLN : amide:sc= -6.7! C(o=-6.7!,f=-3.7!) USER MOD Single : A 93 GLN : amide:sc= -1.05 K(o=-1,f=-0.43) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 97 THR OG1 : rot 77:sc= 1.08 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.25) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 150:sc= -0.509 USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 12.456 -19.535 3.948 1.00 0.00 N ATOM 276 CA ASN A 22 12.342 -18.895 2.630 1.00 0.00 C ATOM 277 C ASN A 22 10.909 -18.457 2.327 1.00 0.00 C ATOM 278 O ASN A 22 10.577 -17.276 2.440 1.00 0.00 O ATOM 279 CB ASN A 22 12.821 -19.865 1.544 1.00 0.00 C ATOM 280 CG ASN A 22 12.207 -21.247 1.754 1.00 0.00 C ATOM 281 OD1 ASN A 22 11.782 -21.580 2.859 1.00 0.00 O ATOM 282 ND2 ASN A 22 12.133 -22.075 0.748 1.00 0.00 N ATOM 0 HA ASN A 22 12.967 -18.002 2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.546 -19.484 0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.908 -19.936 1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.722 -23.000 0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.486 -21.798 -0.168 1.00 0.00 H new ATOM 289 N ALA A 23 10.068 -19.405 1.923 1.00 0.00 N ATOM 290 CA ALA A 23 8.685 -19.095 1.584 1.00 0.00 C ATOM 291 C ALA A 23 8.024 -18.290 2.692 1.00 0.00 C ATOM 292 O ALA A 23 7.512 -17.197 2.455 1.00 0.00 O ATOM 293 CB ALA A 23 7.900 -20.387 1.349 1.00 0.00 C ATOM 0 H ALA A 23 10.319 -20.389 1.823 1.00 0.00 H new ATOM 0 HA ALA A 23 8.684 -18.499 0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.868 -20.145 1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.353 -20.944 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.919 -20.994 2.254 1.00 0.00 H new ATOM 299 N ALA A 24 8.038 -18.835 3.900 1.00 0.00 N ATOM 300 CA ALA A 24 7.431 -18.148 5.033 1.00 0.00 C ATOM 301 C ALA A 24 8.020 -16.748 5.177 1.00 0.00 C ATOM 302 O ALA A 24 7.303 -15.750 5.107 1.00 0.00 O ATOM 303 CB ALA A 24 7.665 -18.944 6.317 1.00 0.00 C ATOM 0 H ALA A 24 8.457 -19.739 4.120 1.00 0.00 H new ATOM 0 HA ALA A 24 6.359 -18.064 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.207 -18.422 7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.219 -19.933 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.736 -19.045 6.492 1.00 0.00 H new ATOM 309 N GLN A 25 9.333 -16.687 5.373 1.00 0.00 N ATOM 310 CA GLN A 25 10.024 -15.414 5.522 1.00 0.00 C ATOM 311 C GLN A 25 9.506 -14.388 4.513 1.00 0.00 C ATOM 312 O GLN A 25 9.111 -13.282 4.883 1.00 0.00 O ATOM 313 CB GLN A 25 11.527 -15.645 5.305 1.00 0.00 C ATOM 314 CG GLN A 25 12.353 -14.519 5.947 1.00 0.00 C ATOM 315 CD GLN A 25 13.794 -14.983 6.149 1.00 0.00 C ATOM 316 OE1 GLN A 25 14.720 -14.400 5.586 1.00 0.00 O ATOM 317 NE2 GLN A 25 14.037 -16.006 6.925 1.00 0.00 N ATOM 0 H GLN A 25 9.939 -17.505 5.432 1.00 0.00 H new ATOM 0 HA GLN A 25 9.841 -15.022 6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.817 -16.604 5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.741 -15.695 4.237 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.332 -13.633 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.915 -14.235 6.904 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.267 -16.487 7.390 1.00 0.00 H new ATOM 0 HE22 GLN A 25 14.996 -16.323 7.065 1.00 0.00 H new ATOM 326 N VAL A 26 9.522 -14.763 3.239 1.00 0.00 N ATOM 327 CA VAL A 26 9.066 -13.873 2.177 1.00 0.00 C ATOM 328 C VAL A 26 7.588 -13.515 2.356 1.00 0.00 C ATOM 329 O VAL A 26 7.241 -12.344 2.491 1.00 0.00 O ATOM 330 CB VAL A 26 9.306 -14.541 0.810 1.00 0.00 C ATOM 331 CG1 VAL A 26 8.515 -13.818 -0.286 1.00 0.00 C ATOM 332 CG2 VAL A 26 10.804 -14.481 0.480 1.00 0.00 C ATOM 0 H VAL A 26 9.845 -15.675 2.917 1.00 0.00 H new ATOM 0 HA VAL A 26 9.635 -12.945 2.226 1.00 0.00 H new ATOM 0 HB VAL A 26 8.972 -15.578 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.696 -14.303 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.451 -13.859 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.835 -12.777 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.983 -14.952 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.127 -13.441 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.368 -15.008 1.250 1.00 0.00 H new ATOM 342 N LYS A 27 6.726 -14.525 2.339 1.00 0.00 N ATOM 343 CA LYS A 27 5.288 -14.304 2.487 1.00 0.00 C ATOM 344 C LYS A 27 4.996 -13.195 3.503 1.00 0.00 C ATOM 345 O LYS A 27 4.374 -12.181 3.175 1.00 0.00 O ATOM 346 CB LYS A 27 4.619 -15.625 2.922 1.00 0.00 C ATOM 347 CG LYS A 27 3.383 -15.919 2.061 1.00 0.00 C ATOM 348 CD LYS A 27 2.644 -17.141 2.618 1.00 0.00 C ATOM 349 CE LYS A 27 3.565 -18.367 2.606 1.00 0.00 C ATOM 350 NZ LYS A 27 2.740 -19.607 2.617 1.00 0.00 N ATOM 0 H LYS A 27 6.994 -15.502 2.225 1.00 0.00 H new ATOM 0 HA LYS A 27 4.880 -13.982 1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.332 -16.445 2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.331 -15.564 3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.720 -15.054 2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.682 -16.102 1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.308 -16.939 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.754 -17.340 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.201 -18.349 1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.225 -18.348 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.364 -20.439 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.151 -19.624 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.128 -19.625 1.776 1.00 0.00 H new ATOM 364 N ASP A 28 5.448 -13.399 4.735 1.00 0.00 N ATOM 365 CA ASP A 28 5.229 -12.414 5.784 1.00 0.00 C ATOM 366 C ASP A 28 5.777 -11.061 5.352 1.00 0.00 C ATOM 367 O ASP A 28 5.273 -10.015 5.758 1.00 0.00 O ATOM 368 CB ASP A 28 5.918 -12.860 7.075 1.00 0.00 C ATOM 369 CG ASP A 28 5.636 -11.858 8.188 1.00 0.00 C ATOM 370 OD1 ASP A 28 4.483 -11.728 8.563 1.00 0.00 O ATOM 371 OD2 ASP A 28 6.578 -11.233 8.648 1.00 0.00 O ATOM 0 H ASP A 28 5.963 -14.229 5.029 1.00 0.00 H new ATOM 0 HA ASP A 28 4.157 -12.325 5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.561 -13.848 7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.993 -12.944 6.913 1.00 0.00 H new ATOM 376 N ALA A 29 6.815 -11.093 4.523 1.00 0.00 N ATOM 377 CA ALA A 29 7.428 -9.866 4.038 1.00 0.00 C ATOM 378 C ALA A 29 6.546 -9.199 2.987 1.00 0.00 C ATOM 379 O ALA A 29 6.717 -8.018 2.687 1.00 0.00 O ATOM 380 CB ALA A 29 8.810 -10.165 3.445 1.00 0.00 C ATOM 0 H ALA A 29 7.246 -11.950 4.176 1.00 0.00 H new ATOM 0 HA ALA A 29 7.539 -9.184 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.259 -9.240 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.448 -10.604 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.706 -10.865 2.616 1.00 0.00 H new ATOM 386 N LEU A 30 5.598 -9.953 2.428 1.00 0.00 N ATOM 387 CA LEU A 30 4.708 -9.390 1.416 1.00 0.00 C ATOM 388 C LEU A 30 3.600 -8.581 2.080 1.00 0.00 C ATOM 389 O LEU A 30 3.395 -7.407 1.757 1.00 0.00 O ATOM 390 CB LEU A 30 4.097 -10.505 0.564 1.00 0.00 C ATOM 391 CG LEU A 30 5.209 -11.349 -0.083 1.00 0.00 C ATOM 392 CD1 LEU A 30 4.579 -12.544 -0.803 1.00 0.00 C ATOM 393 CD2 LEU A 30 6.009 -10.498 -1.090 1.00 0.00 C ATOM 0 H LEU A 30 5.430 -10.933 2.653 1.00 0.00 H new ATOM 0 HA LEU A 30 5.291 -8.732 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.462 -11.139 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.460 -10.075 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 30 5.888 -11.702 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.363 -13.146 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.029 -13.152 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.896 -12.186 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.792 -11.108 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.340 -10.133 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.460 -9.651 -0.573 1.00 0.00 H new ATOM 405 N THR A 31 2.892 -9.201 3.017 1.00 0.00 N ATOM 406 CA THR A 31 1.824 -8.498 3.712 1.00 0.00 C ATOM 407 C THR A 31 2.406 -7.337 4.497 1.00 0.00 C ATOM 408 O THR A 31 1.734 -6.337 4.740 1.00 0.00 O ATOM 409 CB THR A 31 1.088 -9.438 4.659 1.00 0.00 C ATOM 410 OG1 THR A 31 0.094 -8.708 5.367 1.00 0.00 O ATOM 411 CG2 THR A 31 2.082 -10.042 5.646 1.00 0.00 C ATOM 0 H THR A 31 3.034 -10.168 3.308 1.00 0.00 H new ATOM 0 HA THR A 31 1.115 -8.124 2.973 1.00 0.00 H new ATOM 0 HB THR A 31 0.614 -10.237 4.089 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.382 -9.310 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.558 -10.715 6.325 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.844 -10.598 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.555 -9.245 6.219 1.00 0.00 H new ATOM 419 N LYS A 32 3.674 -7.462 4.876 1.00 0.00 N ATOM 420 CA LYS A 32 4.331 -6.392 5.610 1.00 0.00 C ATOM 421 C LYS A 32 4.114 -5.087 4.857 1.00 0.00 C ATOM 422 O LYS A 32 3.543 -4.135 5.389 1.00 0.00 O ATOM 423 CB LYS A 32 5.835 -6.672 5.754 1.00 0.00 C ATOM 424 CG LYS A 32 6.552 -5.396 6.214 1.00 0.00 C ATOM 425 CD LYS A 32 7.945 -5.735 6.752 1.00 0.00 C ATOM 426 CE LYS A 32 8.802 -4.459 6.808 1.00 0.00 C ATOM 427 NZ LYS A 32 9.833 -4.601 7.875 1.00 0.00 N ATOM 0 H LYS A 32 4.256 -8.279 4.690 1.00 0.00 H new ATOM 0 HA LYS A 32 3.906 -6.325 6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.999 -7.474 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.246 -7.009 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.636 -4.698 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.966 -4.900 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.865 -6.175 7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.422 -6.478 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.282 -4.287 5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.172 -3.593 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.413 -3.739 7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.365 -4.745 8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.441 -5.418 7.664 1.00 0.00 H new ATOM 441 N MET A 33 4.553 -5.064 3.602 1.00 0.00 N ATOM 442 CA MET A 33 4.374 -3.882 2.778 1.00 0.00 C ATOM 443 C MET A 33 2.903 -3.493 2.796 1.00 0.00 C ATOM 444 O MET A 33 2.550 -2.392 3.207 1.00 0.00 O ATOM 445 CB MET A 33 4.827 -4.162 1.343 1.00 0.00 C ATOM 446 CG MET A 33 6.354 -4.246 1.296 1.00 0.00 C ATOM 447 SD MET A 33 6.895 -4.458 -0.418 1.00 0.00 S ATOM 448 CE MET A 33 6.811 -6.265 -0.462 1.00 0.00 C ATOM 0 H MET A 33 5.028 -5.840 3.142 1.00 0.00 H new ATOM 0 HA MET A 33 4.978 -3.065 3.173 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.390 -5.095 0.988 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.475 -3.373 0.679 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.792 -3.341 1.717 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.702 -5.081 1.904 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.110 -6.619 -1.449 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.482 -6.679 0.291 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.790 -6.587 -0.255 1.00 0.00 H new ATOM 458 N ARG A 34 2.047 -4.418 2.362 1.00 0.00 N ATOM 459 CA ARG A 34 0.602 -4.175 2.349 1.00 0.00 C ATOM 460 C ARG A 34 0.171 -3.383 3.581 1.00 0.00 C ATOM 461 O ARG A 34 -0.268 -2.237 3.470 1.00 0.00 O ATOM 462 CB ARG A 34 -0.140 -5.513 2.334 1.00 0.00 C ATOM 463 CG ARG A 34 -1.621 -5.286 2.018 1.00 0.00 C ATOM 464 CD ARG A 34 -2.312 -6.641 1.797 1.00 0.00 C ATOM 465 NE ARG A 34 -3.734 -6.530 2.096 1.00 0.00 N ATOM 466 CZ ARG A 34 -4.178 -6.564 3.348 1.00 0.00 C ATOM 467 NH1 ARG A 34 -3.336 -6.705 4.335 1.00 0.00 N ATOM 468 NH2 ARG A 34 -5.456 -6.461 3.591 1.00 0.00 N ATOM 0 H ARG A 34 2.325 -5.337 2.017 1.00 0.00 H new ATOM 0 HA ARG A 34 0.360 -3.598 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.302 -6.175 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.037 -6.006 3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.101 -4.751 2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.723 -4.665 1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.173 -6.965 0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.856 -7.399 2.434 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.400 -6.424 1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.337 -6.789 4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.677 -6.731 5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.115 -6.354 2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.796 -6.487 4.552 1.00 0.00 H new ATOM 482 N ALA A 35 0.298 -3.999 4.751 1.00 0.00 N ATOM 483 CA ALA A 35 -0.084 -3.335 5.992 1.00 0.00 C ATOM 484 C ALA A 35 0.649 -2.004 6.136 1.00 0.00 C ATOM 485 O ALA A 35 0.187 -1.104 6.836 1.00 0.00 O ATOM 486 CB ALA A 35 0.243 -4.232 7.187 1.00 0.00 C ATOM 0 H ALA A 35 0.658 -4.946 4.866 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.157 -3.145 5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.045 -3.728 8.110 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.305 -5.170 7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.313 -4.438 7.205 1.00 0.00 H new ATOM 492 N ALA A 36 1.790 -1.885 5.463 1.00 0.00 N ATOM 493 CA ALA A 36 2.578 -0.658 5.520 1.00 0.00 C ATOM 494 C ALA A 36 1.981 0.387 4.586 1.00 0.00 C ATOM 495 O ALA A 36 2.003 1.582 4.875 1.00 0.00 O ATOM 496 CB ALA A 36 4.037 -0.942 5.129 1.00 0.00 C ATOM 0 H ALA A 36 2.187 -2.618 4.876 1.00 0.00 H new ATOM 0 HA ALA A 36 2.558 -0.276 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.613 -0.018 5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.463 -1.671 5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.071 -1.339 4.115 1.00 0.00 H new ATOM 502 N ALA A 37 1.433 -0.081 3.469 1.00 0.00 N ATOM 503 CA ALA A 37 0.816 0.814 2.506 1.00 0.00 C ATOM 504 C ALA A 37 -0.425 1.442 3.119 1.00 0.00 C ATOM 505 O ALA A 37 -0.629 2.653 3.026 1.00 0.00 O ATOM 506 CB ALA A 37 0.434 0.044 1.240 1.00 0.00 C ATOM 0 H ALA A 37 1.405 -1.068 3.213 1.00 0.00 H new ATOM 0 HA ALA A 37 1.527 1.597 2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.028 0.725 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.328 -0.395 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.271 -0.747 1.494 1.00 0.00 H new ATOM 512 N LEU A 38 -1.246 0.614 3.758 1.00 0.00 N ATOM 513 CA LEU A 38 -2.462 1.117 4.394 1.00 0.00 C ATOM 514 C LEU A 38 -2.104 2.100 5.507 1.00 0.00 C ATOM 515 O LEU A 38 -2.725 3.156 5.652 1.00 0.00 O ATOM 516 CB LEU A 38 -3.272 -0.043 4.976 1.00 0.00 C ATOM 517 CG LEU A 38 -3.600 -1.057 3.871 1.00 0.00 C ATOM 518 CD1 LEU A 38 -4.080 -2.362 4.509 1.00 0.00 C ATOM 519 CD2 LEU A 38 -4.701 -0.508 2.949 1.00 0.00 C ATOM 0 H LEU A 38 -1.097 -0.391 3.849 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.061 1.629 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.708 -0.529 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.193 0.333 5.422 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.702 -1.238 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.314 -3.085 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.296 -2.763 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.973 -2.169 5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.922 -1.239 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.601 -0.315 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.361 0.420 2.489 1.00 0.00 H new ATOM 531 N ASP A 39 -1.094 1.741 6.287 1.00 0.00 N ATOM 532 CA ASP A 39 -0.645 2.587 7.384 1.00 0.00 C ATOM 533 C ASP A 39 -0.234 3.960 6.860 1.00 0.00 C ATOM 534 O ASP A 39 -0.825 4.978 7.218 1.00 0.00 O ATOM 535 CB ASP A 39 0.543 1.919 8.083 1.00 0.00 C ATOM 536 CG ASP A 39 1.046 2.791 9.227 1.00 0.00 C ATOM 537 OD1 ASP A 39 0.438 2.756 10.285 1.00 0.00 O ATOM 538 OD2 ASP A 39 2.034 3.478 9.031 1.00 0.00 O ATOM 0 H ASP A 39 -0.571 0.872 6.181 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.462 2.717 8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.246 0.942 8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.346 1.750 7.366 1.00 0.00 H new ATOM 543 N ALA A 40 0.781 3.978 6.005 1.00 0.00 N ATOM 544 CA ALA A 40 1.269 5.226 5.432 1.00 0.00 C ATOM 545 C ALA A 40 0.121 6.009 4.788 1.00 0.00 C ATOM 546 O ALA A 40 -0.035 7.207 5.022 1.00 0.00 O ATOM 547 CB ALA A 40 2.364 4.914 4.390 1.00 0.00 C ATOM 0 H ALA A 40 1.281 3.145 5.694 1.00 0.00 H new ATOM 0 HA ALA A 40 1.692 5.843 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.732 5.845 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.187 4.388 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.947 4.288 3.601 1.00 0.00 H new ATOM 553 N GLN A 41 -0.673 5.320 3.978 1.00 0.00 N ATOM 554 CA GLN A 41 -1.797 5.930 3.295 1.00 0.00 C ATOM 555 C GLN A 41 -2.534 6.909 4.211 1.00 0.00 C ATOM 556 O GLN A 41 -2.837 8.031 3.808 1.00 0.00 O ATOM 557 CB GLN A 41 -2.708 4.786 2.815 1.00 0.00 C ATOM 558 CG GLN A 41 -4.196 5.160 2.833 1.00 0.00 C ATOM 559 CD GLN A 41 -4.988 4.002 2.242 1.00 0.00 C ATOM 560 OE1 GLN A 41 -6.219 4.012 2.256 1.00 0.00 O ATOM 561 NE2 GLN A 41 -4.339 2.988 1.730 1.00 0.00 N ATOM 0 H GLN A 41 -0.553 4.327 3.779 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.461 6.520 2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.422 4.501 1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.550 3.913 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.524 5.363 3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.366 6.069 2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.319 2.987 1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.853 2.199 1.339 1.00 0.00 H new ATOM 570 N LYS A 42 -2.820 6.481 5.438 1.00 0.00 N ATOM 571 CA LYS A 42 -3.534 7.351 6.379 1.00 0.00 C ATOM 572 C LYS A 42 -3.314 6.917 7.825 1.00 0.00 C ATOM 573 O LYS A 42 -4.264 6.570 8.528 1.00 0.00 O ATOM 574 CB LYS A 42 -5.043 7.335 6.076 1.00 0.00 C ATOM 575 CG LYS A 42 -5.356 8.151 4.810 1.00 0.00 C ATOM 576 CD LYS A 42 -6.852 8.477 4.770 1.00 0.00 C ATOM 577 CE LYS A 42 -7.665 7.179 4.808 1.00 0.00 C ATOM 578 NZ LYS A 42 -7.731 6.678 6.210 1.00 0.00 N ATOM 0 H LYS A 42 -2.577 5.560 5.802 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.137 8.359 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.381 6.307 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.593 7.745 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.772 9.071 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.072 7.587 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.119 9.109 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.088 9.039 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.670 7.355 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.205 6.430 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.693 6.339 6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.056 5.896 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.490 7.448 6.866 1.00 0.00 H new ATOM 592 N ALA A 43 -2.066 6.949 8.266 1.00 0.00 N ATOM 593 CA ALA A 43 -1.743 6.566 9.637 1.00 0.00 C ATOM 594 C ALA A 43 -0.396 7.155 10.044 1.00 0.00 C ATOM 595 O ALA A 43 -0.291 7.874 11.037 1.00 0.00 O ATOM 596 CB ALA A 43 -1.708 5.035 9.763 1.00 0.00 C ATOM 0 H ALA A 43 -1.265 7.233 7.703 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.513 6.957 10.301 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.466 4.760 10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.683 4.626 9.498 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.950 4.632 9.091 1.00 0.00 H new ATOM 602 N THR A 44 0.632 6.833 9.263 1.00 0.00 N ATOM 603 CA THR A 44 1.986 7.314 9.524 1.00 0.00 C ATOM 604 C THR A 44 2.438 8.290 8.436 1.00 0.00 C ATOM 605 O THR A 44 3.198 7.910 7.548 1.00 0.00 O ATOM 606 CB THR A 44 2.937 6.115 9.557 1.00 0.00 C ATOM 607 OG1 THR A 44 2.518 5.212 10.571 1.00 0.00 O ATOM 608 CG2 THR A 44 4.362 6.584 9.851 1.00 0.00 C ATOM 0 H THR A 44 0.552 6.237 8.439 1.00 0.00 H new ATOM 0 HA THR A 44 1.997 7.837 10.480 1.00 0.00 H new ATOM 0 HB THR A 44 2.919 5.617 8.588 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.599 4.292 10.244 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.031 5.724 9.872 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.685 7.276 9.073 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.387 7.087 10.817 1.00 0.00 H new ATOM 616 N PRO A 45 1.999 9.531 8.483 1.00 0.00 N ATOM 617 CA PRO A 45 2.389 10.554 7.470 1.00 0.00 C ATOM 618 C PRO A 45 3.849 10.390 7.030 1.00 0.00 C ATOM 619 O PRO A 45 4.763 10.806 7.740 1.00 0.00 O ATOM 620 CB PRO A 45 2.175 11.863 8.225 1.00 0.00 C ATOM 621 CG PRO A 45 0.996 11.591 9.104 1.00 0.00 C ATOM 622 CD PRO A 45 1.092 10.107 9.499 1.00 0.00 C ATOM 0 HA PRO A 45 1.815 10.486 6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.054 12.134 8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.980 12.690 7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.012 12.231 9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.063 11.795 8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.491 9.986 10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.115 9.624 9.483 1.00 0.00 H new ATOM 630 N PRO A 46 4.088 9.773 5.893 1.00 0.00 N ATOM 631 CA PRO A 46 5.466 9.532 5.379 1.00 0.00 C ATOM 632 C PRO A 46 5.996 10.690 4.531 1.00 0.00 C ATOM 633 O PRO A 46 6.401 11.726 5.058 1.00 0.00 O ATOM 634 CB PRO A 46 5.266 8.274 4.540 1.00 0.00 C ATOM 635 CG PRO A 46 3.919 8.469 3.919 1.00 0.00 C ATOM 636 CD PRO A 46 3.079 9.232 4.959 1.00 0.00 C ATOM 0 HA PRO A 46 6.207 9.434 6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.044 8.170 3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.297 7.374 5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.996 9.033 2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.460 7.511 3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.494 10.027 4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.375 8.573 5.467 1.00 0.00 H new ATOM 644 N LYS A 47 5.995 10.499 3.214 1.00 0.00 N ATOM 645 CA LYS A 47 6.483 11.515 2.294 1.00 0.00 C ATOM 646 C LYS A 47 5.511 12.690 2.236 1.00 0.00 C ATOM 647 O LYS A 47 5.898 13.816 1.926 1.00 0.00 O ATOM 648 CB LYS A 47 6.642 10.891 0.888 1.00 0.00 C ATOM 649 CG LYS A 47 8.075 10.374 0.690 1.00 0.00 C ATOM 650 CD LYS A 47 8.990 11.536 0.274 1.00 0.00 C ATOM 651 CE LYS A 47 10.449 11.195 0.595 1.00 0.00 C ATOM 652 NZ LYS A 47 10.701 11.409 2.048 1.00 0.00 N ATOM 0 H LYS A 47 5.661 9.648 2.763 1.00 0.00 H new ATOM 0 HA LYS A 47 7.448 11.883 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.933 10.072 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.408 11.633 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.440 9.923 1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.089 9.596 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.880 11.732 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.697 12.446 0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.659 10.159 0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.118 11.819 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.724 11.377 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.327 12.337 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.228 10.663 2.596 1.00 0.00 H new ATOM 666 N LEU A 48 4.253 12.413 2.531 1.00 0.00 N ATOM 667 CA LEU A 48 3.229 13.454 2.503 1.00 0.00 C ATOM 668 C LEU A 48 3.318 14.335 3.745 1.00 0.00 C ATOM 669 O LEU A 48 2.310 14.864 4.212 1.00 0.00 O ATOM 670 CB LEU A 48 1.823 12.841 2.416 1.00 0.00 C ATOM 671 CG LEU A 48 1.816 11.650 1.447 1.00 0.00 C ATOM 672 CD1 LEU A 48 0.460 10.944 1.517 1.00 0.00 C ATOM 673 CD2 LEU A 48 2.056 12.143 0.016 1.00 0.00 C ATOM 0 H LEU A 48 3.914 11.487 2.791 1.00 0.00 H new ATOM 0 HA LEU A 48 3.407 14.063 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.500 12.515 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.111 13.595 2.080 1.00 0.00 H new ATOM 0 HG LEU A 48 2.608 10.955 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.454 10.098 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.288 10.587 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.329 11.643 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.050 11.294 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.267 12.841 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.022 12.646 -0.039 1.00 0.00 H new ATOM 685 N GLU A 49 4.527 14.499 4.271 1.00 0.00 N ATOM 686 CA GLU A 49 4.715 15.334 5.450 1.00 0.00 C ATOM 687 C GLU A 49 4.122 16.716 5.201 1.00 0.00 C ATOM 688 O GLU A 49 3.750 17.425 6.136 1.00 0.00 O ATOM 689 CB GLU A 49 6.204 15.463 5.776 1.00 0.00 C ATOM 690 CG GLU A 49 6.372 16.177 7.119 1.00 0.00 C ATOM 691 CD GLU A 49 7.848 16.247 7.495 1.00 0.00 C ATOM 692 OE1 GLU A 49 8.436 15.199 7.705 1.00 0.00 O ATOM 693 OE2 GLU A 49 8.369 17.349 7.567 1.00 0.00 O ATOM 0 H GLU A 49 5.379 14.072 3.906 1.00 0.00 H new ATOM 0 HA GLU A 49 4.208 14.869 6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.665 14.476 5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.712 16.021 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.956 17.183 7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.816 15.648 7.893 1.00 0.00 H new ATOM 700 N ASP A 50 4.039 17.086 3.926 1.00 0.00 N ATOM 701 CA ASP A 50 3.489 18.380 3.543 1.00 0.00 C ATOM 702 C ASP A 50 3.030 18.351 2.088 1.00 0.00 C ATOM 703 O ASP A 50 3.414 19.205 1.289 1.00 0.00 O ATOM 704 CB ASP A 50 4.545 19.471 3.725 1.00 0.00 C ATOM 705 CG ASP A 50 4.850 19.663 5.206 1.00 0.00 C ATOM 706 OD1 ASP A 50 4.066 20.322 5.871 1.00 0.00 O ATOM 707 OD2 ASP A 50 5.861 19.149 5.655 1.00 0.00 O ATOM 0 H ASP A 50 4.345 16.508 3.143 1.00 0.00 H new ATOM 0 HA ASP A 50 2.632 18.596 4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.455 19.200 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.190 20.407 3.295 1.00 0.00 H new ATOM 712 N LYS A 51 2.202 17.362 1.751 1.00 0.00 N ATOM 713 CA LYS A 51 1.686 17.223 0.387 1.00 0.00 C ATOM 714 C LYS A 51 0.230 16.781 0.413 1.00 0.00 C ATOM 715 O LYS A 51 -0.161 15.918 -0.357 1.00 0.00 O ATOM 716 CB LYS A 51 2.499 16.182 -0.391 1.00 0.00 C ATOM 717 CG LYS A 51 4.001 16.403 -0.168 1.00 0.00 C ATOM 718 CD LYS A 51 4.814 15.324 -0.922 1.00 0.00 C ATOM 719 CE LYS A 51 5.175 15.799 -2.344 1.00 0.00 C ATOM 720 NZ LYS A 51 4.098 16.675 -2.889 1.00 0.00 N ATOM 0 H LYS A 51 1.874 16.647 2.401 1.00 0.00 H new ATOM 0 HA LYS A 51 1.768 18.194 -0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.221 15.179 -0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.268 16.251 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.286 17.395 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.228 16.363 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.725 15.097 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.236 14.401 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.119 16.343 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.317 14.938 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.340 16.959 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.197 16.155 -2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.005 17.522 -2.293 1.00 0.00 H new ATOM 734 N SER A 52 -0.553 17.361 1.315 1.00 0.00 N ATOM 735 CA SER A 52 -1.968 17.008 1.451 1.00 0.00 C ATOM 736 C SER A 52 -2.656 16.879 0.076 1.00 0.00 C ATOM 737 O SER A 52 -2.023 17.075 -0.958 1.00 0.00 O ATOM 738 CB SER A 52 -2.674 18.064 2.319 1.00 0.00 C ATOM 739 OG SER A 52 -3.449 17.409 3.314 1.00 0.00 O ATOM 0 H SER A 52 -0.235 18.079 1.966 1.00 0.00 H new ATOM 0 HA SER A 52 -2.039 16.034 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.938 18.719 2.786 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.313 18.693 1.699 1.00 0.00 H new ATOM 0 HG SER A 52 -3.899 18.078 3.871 1.00 0.00 H new ATOM 745 N PRO A 53 -3.934 16.543 0.048 1.00 0.00 N ATOM 746 CA PRO A 53 -4.708 16.372 -1.231 1.00 0.00 C ATOM 747 C PRO A 53 -4.731 17.634 -2.104 1.00 0.00 C ATOM 748 O PRO A 53 -5.782 18.024 -2.615 1.00 0.00 O ATOM 749 CB PRO A 53 -6.131 16.006 -0.760 1.00 0.00 C ATOM 750 CG PRO A 53 -5.968 15.514 0.642 1.00 0.00 C ATOM 751 CD PRO A 53 -4.785 16.285 1.224 1.00 0.00 C ATOM 0 HA PRO A 53 -4.250 15.614 -1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.793 16.871 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.571 15.239 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -6.872 15.689 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.781 14.440 0.659 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.105 17.212 1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.259 15.703 1.981 1.00 0.00 H new ATOM 759 N ASP A 54 -3.576 18.268 -2.261 1.00 0.00 N ATOM 760 CA ASP A 54 -3.468 19.491 -3.065 1.00 0.00 C ATOM 761 C ASP A 54 -2.824 19.185 -4.415 1.00 0.00 C ATOM 762 O ASP A 54 -3.410 19.434 -5.470 1.00 0.00 O ATOM 763 CB ASP A 54 -2.625 20.535 -2.318 1.00 0.00 C ATOM 764 CG ASP A 54 -1.179 20.067 -2.180 1.00 0.00 C ATOM 765 OD1 ASP A 54 -0.973 18.874 -2.043 1.00 0.00 O ATOM 766 OD2 ASP A 54 -0.299 20.911 -2.215 1.00 0.00 O ATOM 0 H ASP A 54 -2.697 17.960 -1.844 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.470 19.886 -3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.655 21.484 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.050 20.713 -1.330 1.00 0.00 H new ATOM 771 N SER A 55 -1.618 18.634 -4.361 1.00 0.00 N ATOM 772 CA SER A 55 -0.873 18.272 -5.561 1.00 0.00 C ATOM 773 C SER A 55 -1.268 16.854 -5.984 1.00 0.00 C ATOM 774 O SER A 55 -2.188 16.276 -5.404 1.00 0.00 O ATOM 775 CB SER A 55 0.633 18.363 -5.241 1.00 0.00 C ATOM 776 OG SER A 55 0.807 19.188 -4.096 1.00 0.00 O ATOM 0 H SER A 55 -1.131 18.426 -3.489 1.00 0.00 H new ATOM 0 HA SER A 55 -1.100 18.948 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.041 17.369 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.176 18.777 -6.091 1.00 0.00 H new ATOM 0 HG SER A 55 1.761 19.253 -3.881 1.00 0.00 H new ATOM 782 N PRO A 56 -0.610 16.274 -6.961 1.00 0.00 N ATOM 783 CA PRO A 56 -0.927 14.884 -7.423 1.00 0.00 C ATOM 784 C PRO A 56 -0.829 13.848 -6.293 1.00 0.00 C ATOM 785 O PRO A 56 -0.713 12.651 -6.554 1.00 0.00 O ATOM 786 CB PRO A 56 0.120 14.617 -8.522 1.00 0.00 C ATOM 787 CG PRO A 56 0.550 15.973 -8.981 1.00 0.00 C ATOM 788 CD PRO A 56 0.490 16.863 -7.744 1.00 0.00 C ATOM 0 HA PRO A 56 -1.954 14.798 -7.779 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.963 14.045 -8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.306 14.039 -9.342 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.558 15.945 -9.395 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.107 16.348 -9.766 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.430 16.850 -7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.288 17.902 -8.004 1.00 0.00 H new ATOM 796 N GLU A 57 -0.887 14.300 -5.040 1.00 0.00 N ATOM 797 CA GLU A 57 -0.820 13.381 -3.911 1.00 0.00 C ATOM 798 C GLU A 57 -1.789 12.237 -4.137 1.00 0.00 C ATOM 799 O GLU A 57 -1.387 11.101 -4.350 1.00 0.00 O ATOM 800 CB GLU A 57 -1.186 14.111 -2.606 1.00 0.00 C ATOM 801 CG GLU A 57 -1.481 13.095 -1.481 1.00 0.00 C ATOM 802 CD GLU A 57 -1.642 13.804 -0.142 1.00 0.00 C ATOM 803 OE1 GLU A 57 -2.734 14.275 0.128 1.00 0.00 O ATOM 804 OE2 GLU A 57 -0.677 13.856 0.599 1.00 0.00 O ATOM 0 H GLU A 57 -0.979 15.284 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 57 0.196 12.995 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.367 14.766 -2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.058 14.745 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.389 12.539 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.670 12.369 -1.418 1.00 0.00 H new ATOM 811 N MET A 58 -3.073 12.563 -4.081 1.00 0.00 N ATOM 812 CA MET A 58 -4.121 11.574 -4.270 1.00 0.00 C ATOM 813 C MET A 58 -3.773 10.654 -5.430 1.00 0.00 C ATOM 814 O MET A 58 -3.784 9.433 -5.295 1.00 0.00 O ATOM 815 CB MET A 58 -5.451 12.272 -4.542 1.00 0.00 C ATOM 816 CG MET A 58 -5.704 13.348 -3.473 1.00 0.00 C ATOM 817 SD MET A 58 -7.317 14.116 -3.766 1.00 0.00 S ATOM 818 CE MET A 58 -8.301 12.968 -2.772 1.00 0.00 C ATOM 0 H MET A 58 -3.413 13.509 -3.905 1.00 0.00 H new ATOM 0 HA MET A 58 -4.209 10.977 -3.362 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.437 12.727 -5.532 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.262 11.544 -4.537 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.676 12.903 -2.479 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.918 14.102 -3.507 1.00 0.00 H new ATOM 0 HE1 MET A 58 -9.159 12.628 -3.352 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.689 12.110 -2.494 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.649 13.473 -1.871 1.00 0.00 H new ATOM 828 N LYS A 59 -3.436 11.252 -6.562 1.00 0.00 N ATOM 829 CA LYS A 59 -3.062 10.468 -7.733 1.00 0.00 C ATOM 830 C LYS A 59 -1.940 9.509 -7.356 1.00 0.00 C ATOM 831 O LYS A 59 -1.866 8.384 -7.855 1.00 0.00 O ATOM 832 CB LYS A 59 -2.596 11.390 -8.870 1.00 0.00 C ATOM 833 CG LYS A 59 -3.772 12.242 -9.390 1.00 0.00 C ATOM 834 CD LYS A 59 -4.525 11.485 -10.490 1.00 0.00 C ATOM 835 CE LYS A 59 -5.725 12.315 -10.950 1.00 0.00 C ATOM 836 NZ LYS A 59 -6.258 11.754 -12.223 1.00 0.00 N ATOM 0 H LYS A 59 -3.413 12.263 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.930 9.905 -8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.797 12.041 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.183 10.794 -9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.451 12.478 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.400 13.190 -9.779 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.861 11.289 -11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.860 10.517 -10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.501 12.308 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.428 13.354 -11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.074 12.318 -12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.517 11.783 -12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.556 10.769 -12.071 1.00 0.00 H new ATOM 850 N ASP A 60 -1.070 9.973 -6.462 1.00 0.00 N ATOM 851 CA ASP A 60 0.058 9.172 -6.002 1.00 0.00 C ATOM 852 C ASP A 60 -0.372 8.184 -4.919 1.00 0.00 C ATOM 853 O ASP A 60 0.115 7.059 -4.878 1.00 0.00 O ATOM 854 CB ASP A 60 1.152 10.092 -5.465 1.00 0.00 C ATOM 855 CG ASP A 60 2.472 9.340 -5.358 1.00 0.00 C ATOM 856 OD1 ASP A 60 2.433 8.126 -5.228 1.00 0.00 O ATOM 857 OD2 ASP A 60 3.504 9.988 -5.407 1.00 0.00 O ATOM 0 H ASP A 60 -1.126 10.901 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 60 0.442 8.599 -6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.269 10.952 -6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.865 10.477 -4.486 1.00 0.00 H new ATOM 862 N PHE A 61 -1.300 8.594 -4.053 1.00 0.00 N ATOM 863 CA PHE A 61 -1.780 7.697 -3.007 1.00 0.00 C ATOM 864 C PHE A 61 -2.705 6.673 -3.649 1.00 0.00 C ATOM 865 O PHE A 61 -2.408 5.479 -3.640 1.00 0.00 O ATOM 866 CB PHE A 61 -2.500 8.483 -1.877 1.00 0.00 C ATOM 867 CG PHE A 61 -3.569 7.629 -1.203 1.00 0.00 C ATOM 868 CD1 PHE A 61 -3.339 6.268 -0.954 1.00 0.00 C ATOM 869 CD2 PHE A 61 -4.799 8.200 -0.854 1.00 0.00 C ATOM 870 CE1 PHE A 61 -4.337 5.487 -0.363 1.00 0.00 C ATOM 871 CE2 PHE A 61 -5.796 7.417 -0.266 1.00 0.00 C ATOM 872 CZ PHE A 61 -5.567 6.061 -0.022 1.00 0.00 C ATOM 0 H PHE A 61 -1.725 9.521 -4.055 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.937 7.188 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.770 8.808 -1.135 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.957 9.382 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.391 5.823 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.978 9.249 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.158 4.440 -0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.744 7.861 -0.000 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.339 5.456 0.430 1.00 0.00 H new ATOM 882 N ARG A 62 -3.822 7.139 -4.212 1.00 0.00 N ATOM 883 CA ARG A 62 -4.763 6.227 -4.859 1.00 0.00 C ATOM 884 C ARG A 62 -3.988 5.195 -5.675 1.00 0.00 C ATOM 885 O ARG A 62 -4.272 4.006 -5.624 1.00 0.00 O ATOM 886 CB ARG A 62 -5.733 7.007 -5.770 1.00 0.00 C ATOM 887 CG ARG A 62 -6.931 7.532 -4.960 1.00 0.00 C ATOM 888 CD ARG A 62 -6.451 8.257 -3.701 1.00 0.00 C ATOM 889 NE ARG A 62 -7.516 9.103 -3.173 1.00 0.00 N ATOM 890 CZ ARG A 62 -8.589 8.575 -2.595 1.00 0.00 C ATOM 891 NH1 ARG A 62 -8.703 7.280 -2.489 1.00 0.00 N ATOM 892 NH2 ARG A 62 -9.531 9.353 -2.133 1.00 0.00 N ATOM 0 H ARG A 62 -4.092 8.122 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.349 5.718 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.210 7.841 -6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.085 6.360 -6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.523 8.211 -5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.582 6.703 -4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.146 7.531 -2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.575 8.863 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.435 10.117 -3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.968 6.672 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.527 6.875 -2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.443 10.366 -2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.355 8.948 -1.689 1.00 0.00 H new ATOM 906 N HIS A 63 -2.987 5.646 -6.412 1.00 0.00 N ATOM 907 CA HIS A 63 -2.191 4.720 -7.200 1.00 0.00 C ATOM 908 C HIS A 63 -1.135 4.055 -6.337 1.00 0.00 C ATOM 909 O HIS A 63 -1.173 2.852 -6.136 1.00 0.00 O ATOM 910 CB HIS A 63 -1.520 5.449 -8.359 1.00 0.00 C ATOM 911 CG HIS A 63 -0.983 4.447 -9.343 1.00 0.00 C ATOM 912 ND1 HIS A 63 -1.596 3.224 -9.563 1.00 0.00 N ATOM 913 CD2 HIS A 63 0.108 4.476 -10.177 1.00 0.00 C ATOM 914 CE1 HIS A 63 -0.878 2.572 -10.496 1.00 0.00 C ATOM 915 NE2 HIS A 63 0.172 3.290 -10.904 1.00 0.00 N ATOM 0 H HIS A 63 -2.710 6.625 -6.482 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.857 3.954 -7.597 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.236 6.108 -8.850 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.711 6.078 -7.987 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.809 5.294 -10.257 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.121 1.588 -10.869 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.871 3.026 -11.599 1.00 0.00 H new ATOM 924 N GLY A 64 -0.191 4.844 -5.839 1.00 0.00 N ATOM 925 CA GLY A 64 0.884 4.313 -5.002 1.00 0.00 C ATOM 926 C GLY A 64 0.402 3.176 -4.104 1.00 0.00 C ATOM 927 O GLY A 64 1.153 2.240 -3.833 1.00 0.00 O ATOM 0 H GLY A 64 -0.146 5.851 -5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.694 3.955 -5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.292 5.114 -4.385 1.00 0.00 H new ATOM 931 N PHE A 65 -0.856 3.242 -3.651 1.00 0.00 N ATOM 932 CA PHE A 65 -1.377 2.173 -2.797 1.00 0.00 C ATOM 933 C PHE A 65 -1.775 0.993 -3.683 1.00 0.00 C ATOM 934 O PHE A 65 -1.486 -0.155 -3.362 1.00 0.00 O ATOM 935 CB PHE A 65 -2.561 2.683 -1.908 1.00 0.00 C ATOM 936 CG PHE A 65 -3.784 1.789 -2.030 1.00 0.00 C ATOM 937 CD1 PHE A 65 -4.616 1.889 -3.150 1.00 0.00 C ATOM 938 CD2 PHE A 65 -4.082 0.862 -1.026 1.00 0.00 C ATOM 939 CE1 PHE A 65 -5.733 1.074 -3.272 1.00 0.00 C ATOM 940 CE2 PHE A 65 -5.209 0.041 -1.148 1.00 0.00 C ATOM 941 CZ PHE A 65 -6.032 0.152 -2.275 1.00 0.00 C ATOM 0 H PHE A 65 -1.511 3.997 -3.853 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.606 1.842 -2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.242 2.723 -0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.823 3.700 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.388 2.605 -3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.444 0.780 -0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.369 1.156 -4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.443 -0.676 -0.375 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.902 -0.481 -2.370 1.00 0.00 H new ATOM 951 N ASP A 66 -2.403 1.296 -4.814 1.00 0.00 N ATOM 952 CA ASP A 66 -2.810 0.265 -5.760 1.00 0.00 C ATOM 953 C ASP A 66 -1.578 -0.423 -6.335 1.00 0.00 C ATOM 954 O ASP A 66 -1.566 -1.635 -6.552 1.00 0.00 O ATOM 955 CB ASP A 66 -3.621 0.898 -6.897 1.00 0.00 C ATOM 956 CG ASP A 66 -3.974 -0.158 -7.938 1.00 0.00 C ATOM 957 OD1 ASP A 66 -4.056 -1.319 -7.571 1.00 0.00 O ATOM 958 OD2 ASP A 66 -4.160 0.210 -9.086 1.00 0.00 O ATOM 0 H ASP A 66 -2.641 2.247 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.425 -0.471 -5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.531 1.346 -6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.047 1.700 -7.361 1.00 0.00 H new ATOM 963 N ILE A 67 -0.539 0.371 -6.566 1.00 0.00 N ATOM 964 CA ILE A 67 0.713 -0.135 -7.102 1.00 0.00 C ATOM 965 C ILE A 67 1.281 -1.194 -6.177 1.00 0.00 C ATOM 966 O ILE A 67 1.376 -2.365 -6.534 1.00 0.00 O ATOM 967 CB ILE A 67 1.713 1.016 -7.235 1.00 0.00 C ATOM 968 CG1 ILE A 67 1.178 2.021 -8.259 1.00 0.00 C ATOM 969 CG2 ILE A 67 3.070 0.477 -7.702 1.00 0.00 C ATOM 970 CD1 ILE A 67 2.057 3.287 -8.305 1.00 0.00 C ATOM 0 H ILE A 67 -0.543 1.375 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 67 0.530 -0.577 -8.082 1.00 0.00 H new ATOM 0 HB ILE A 67 1.841 1.504 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.149 1.559 -9.246 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.154 2.294 -8.004 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.777 1.302 -7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.445 -0.243 -6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.954 -0.012 -8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.654 3.983 -9.040 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.065 3.760 -7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.075 3.013 -8.584 1.00 0.00 H new ATOM 982 N LEU A 68 1.649 -0.768 -4.981 1.00 0.00 N ATOM 983 CA LEU A 68 2.206 -1.686 -3.999 1.00 0.00 C ATOM 984 C LEU A 68 1.247 -2.859 -3.790 1.00 0.00 C ATOM 985 O LEU A 68 1.651 -4.019 -3.848 1.00 0.00 O ATOM 986 CB LEU A 68 2.461 -0.943 -2.671 1.00 0.00 C ATOM 987 CG LEU A 68 3.920 -0.428 -2.616 1.00 0.00 C ATOM 988 CD1 LEU A 68 4.106 0.725 -3.606 1.00 0.00 C ATOM 989 CD2 LEU A 68 4.256 0.064 -1.208 1.00 0.00 C ATOM 0 H LEU A 68 1.574 0.199 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 68 3.157 -2.075 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.769 -0.106 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.272 -1.611 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 68 4.586 -1.250 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.135 1.081 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.887 0.377 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.429 1.539 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.285 0.423 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.582 0.876 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.141 -0.756 -0.499 1.00 0.00 H new ATOM 1001 N VAL A 69 -0.021 -2.546 -3.543 1.00 0.00 N ATOM 1002 CA VAL A 69 -1.029 -3.564 -3.323 1.00 0.00 C ATOM 1003 C VAL A 69 -1.205 -4.432 -4.567 1.00 0.00 C ATOM 1004 O VAL A 69 -1.641 -5.580 -4.475 1.00 0.00 O ATOM 1005 CB VAL A 69 -2.342 -2.870 -2.965 1.00 0.00 C ATOM 1006 CG1 VAL A 69 -3.461 -3.889 -2.885 1.00 0.00 C ATOM 1007 CG2 VAL A 69 -2.194 -2.167 -1.610 1.00 0.00 C ATOM 0 H VAL A 69 -0.371 -1.589 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.718 -4.218 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.581 -2.137 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.394 -3.386 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.570 -4.387 -3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.226 -4.628 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.130 -1.671 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.951 -2.902 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.396 -1.427 -1.669 1.00 0.00 H new ATOM 1017 N GLY A 70 -0.861 -3.881 -5.726 1.00 0.00 N ATOM 1018 CA GLY A 70 -0.983 -4.623 -6.978 1.00 0.00 C ATOM 1019 C GLY A 70 0.214 -5.545 -7.179 1.00 0.00 C ATOM 1020 O GLY A 70 0.076 -6.667 -7.673 1.00 0.00 O ATOM 0 H GLY A 70 -0.499 -2.933 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.902 -5.209 -6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.056 -3.926 -7.813 1.00 0.00 H new ATOM 1024 N GLN A 71 1.389 -5.072 -6.780 1.00 0.00 N ATOM 1025 CA GLN A 71 2.604 -5.864 -6.911 1.00 0.00 C ATOM 1026 C GLN A 71 2.658 -6.892 -5.796 1.00 0.00 C ATOM 1027 O GLN A 71 2.990 -8.056 -6.017 1.00 0.00 O ATOM 1028 CB GLN A 71 3.831 -4.956 -6.845 1.00 0.00 C ATOM 1029 CG GLN A 71 3.754 -3.924 -7.971 1.00 0.00 C ATOM 1030 CD GLN A 71 4.761 -2.807 -7.740 1.00 0.00 C ATOM 1031 OE1 GLN A 71 5.363 -2.309 -8.692 1.00 0.00 O ATOM 1032 NE2 GLN A 71 4.986 -2.376 -6.532 1.00 0.00 N ATOM 0 H GLN A 71 1.525 -4.150 -6.366 1.00 0.00 H new ATOM 0 HA GLN A 71 2.599 -6.375 -7.874 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.876 -4.454 -5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.742 -5.548 -6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.950 -4.406 -8.928 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.747 -3.509 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.488 -2.788 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.660 -1.627 -6.375 1.00 0.00 H new ATOM 1041 N ILE A 72 2.298 -6.450 -4.597 1.00 0.00 N ATOM 1042 CA ILE A 72 2.270 -7.334 -3.435 1.00 0.00 C ATOM 1043 C ILE A 72 1.593 -8.647 -3.829 1.00 0.00 C ATOM 1044 O ILE A 72 2.163 -9.727 -3.670 1.00 0.00 O ATOM 1045 CB ILE A 72 1.511 -6.618 -2.286 1.00 0.00 C ATOM 1046 CG1 ILE A 72 2.509 -5.858 -1.383 1.00 0.00 C ATOM 1047 CG2 ILE A 72 0.709 -7.611 -1.426 1.00 0.00 C ATOM 1048 CD1 ILE A 72 1.813 -4.663 -0.734 1.00 0.00 C ATOM 0 H ILE A 72 2.022 -5.488 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 72 3.278 -7.564 -3.089 1.00 0.00 H new ATOM 0 HB ILE A 72 0.812 -5.918 -2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.899 -6.525 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.361 -5.518 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.192 -7.071 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.022 -8.126 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.388 -8.341 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.521 -4.131 -0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.445 -3.991 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.976 -5.013 -0.130 1.00 0.00 H new ATOM 1060 N ASP A 73 0.385 -8.538 -4.365 1.00 0.00 N ATOM 1061 CA ASP A 73 -0.341 -9.719 -4.802 1.00 0.00 C ATOM 1062 C ASP A 73 0.496 -10.477 -5.827 1.00 0.00 C ATOM 1063 O ASP A 73 0.779 -11.662 -5.659 1.00 0.00 O ATOM 1064 CB ASP A 73 -1.681 -9.315 -5.422 1.00 0.00 C ATOM 1065 CG ASP A 73 -2.482 -10.560 -5.790 1.00 0.00 C ATOM 1066 OD1 ASP A 73 -2.414 -11.525 -5.048 1.00 0.00 O ATOM 1067 OD2 ASP A 73 -3.153 -10.528 -6.809 1.00 0.00 O ATOM 0 H ASP A 73 -0.107 -7.655 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.533 -10.361 -3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.247 -8.703 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.511 -8.706 -6.310 1.00 0.00 H new ATOM 1072 N ASP A 74 0.901 -9.773 -6.882 1.00 0.00 N ATOM 1073 CA ASP A 74 1.717 -10.370 -7.931 1.00 0.00 C ATOM 1074 C ASP A 74 2.909 -11.108 -7.332 1.00 0.00 C ATOM 1075 O ASP A 74 3.395 -12.086 -7.899 1.00 0.00 O ATOM 1076 CB ASP A 74 2.228 -9.279 -8.876 1.00 0.00 C ATOM 1077 CG ASP A 74 2.727 -9.904 -10.175 1.00 0.00 C ATOM 1078 OD1 ASP A 74 3.833 -10.420 -10.176 1.00 0.00 O ATOM 1079 OD2 ASP A 74 1.995 -9.860 -11.150 1.00 0.00 O ATOM 0 H ASP A 74 0.676 -8.789 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 74 1.100 -11.079 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.430 -8.568 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.034 -8.721 -8.399 1.00 0.00 H new ATOM 1084 N ALA A 75 3.382 -10.625 -6.188 1.00 0.00 N ATOM 1085 CA ALA A 75 4.524 -11.240 -5.531 1.00 0.00 C ATOM 1086 C ALA A 75 4.181 -12.658 -5.093 1.00 0.00 C ATOM 1087 O ALA A 75 4.703 -13.630 -5.639 1.00 0.00 O ATOM 1088 CB ALA A 75 4.944 -10.407 -4.317 1.00 0.00 C ATOM 0 H ALA A 75 2.995 -9.816 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 75 5.352 -11.281 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.800 -10.876 -3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.216 -9.403 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.115 -10.348 -3.612 1.00 0.00 H new ATOM 1094 N LEU A 76 3.289 -12.772 -4.112 1.00 0.00 N ATOM 1095 CA LEU A 76 2.884 -14.086 -3.630 1.00 0.00 C ATOM 1096 C LEU A 76 2.408 -14.922 -4.799 1.00 0.00 C ATOM 1097 O LEU A 76 2.838 -16.051 -4.980 1.00 0.00 O ATOM 1098 CB LEU A 76 1.751 -13.964 -2.608 1.00 0.00 C ATOM 1099 CG LEU A 76 1.222 -15.379 -2.216 1.00 0.00 C ATOM 1100 CD1 LEU A 76 0.994 -15.453 -0.701 1.00 0.00 C ATOM 1101 CD2 LEU A 76 -0.111 -15.664 -2.927 1.00 0.00 C ATOM 0 H LEU A 76 2.841 -11.985 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 76 3.740 -14.559 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.108 -13.442 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.939 -13.367 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 76 1.965 -16.118 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.625 -16.444 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.934 -15.266 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.261 -14.702 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.469 -16.654 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.847 -14.915 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.037 -15.625 -4.006 1.00 0.00 H new ATOM 1113 N LYS A 77 1.532 -14.331 -5.603 1.00 0.00 N ATOM 1114 CA LYS A 77 0.990 -14.983 -6.790 1.00 0.00 C ATOM 1115 C LYS A 77 2.078 -15.819 -7.463 1.00 0.00 C ATOM 1116 O LYS A 77 1.888 -17.000 -7.748 1.00 0.00 O ATOM 1117 CB LYS A 77 0.474 -13.875 -7.719 1.00 0.00 C ATOM 1118 CG LYS A 77 -0.370 -14.444 -8.871 1.00 0.00 C ATOM 1119 CD LYS A 77 0.542 -14.964 -10.021 1.00 0.00 C ATOM 1120 CE LYS A 77 0.326 -16.470 -10.242 1.00 0.00 C ATOM 1121 NZ LYS A 77 -0.907 -16.680 -11.054 1.00 0.00 N ATOM 0 H LYS A 77 1.177 -13.387 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 77 0.175 -15.661 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.125 -13.168 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.319 -13.320 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.996 -15.256 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.040 -13.673 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.323 -14.421 -10.940 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.587 -14.772 -9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.188 -16.901 -10.751 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.234 -16.980 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.865 -17.611 -11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.742 -16.637 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.976 -15.938 -11.779 1.00 0.00 H new ATOM 1135 N LEU A 78 3.229 -15.205 -7.685 1.00 0.00 N ATOM 1136 CA LEU A 78 4.349 -15.910 -8.306 1.00 0.00 C ATOM 1137 C LEU A 78 4.860 -17.033 -7.393 1.00 0.00 C ATOM 1138 O LEU A 78 4.798 -18.208 -7.753 1.00 0.00 O ATOM 1139 CB LEU A 78 5.472 -14.921 -8.620 1.00 0.00 C ATOM 1140 CG LEU A 78 6.711 -15.642 -9.195 1.00 0.00 C ATOM 1141 CD1 LEU A 78 6.319 -16.718 -10.222 1.00 0.00 C ATOM 1142 CD2 LEU A 78 7.592 -14.611 -9.893 1.00 0.00 C ATOM 0 H LEU A 78 3.416 -14.230 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 78 4.005 -16.364 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.116 -14.179 -9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.750 -14.383 -7.714 1.00 0.00 H new ATOM 0 HG LEU A 78 7.235 -16.127 -8.371 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.218 -17.202 -10.603 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.681 -17.462 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.779 -16.254 -11.047 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.472 -15.104 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.030 -14.138 -10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.904 -13.853 -9.175 1.00 0.00 H new ATOM 1154 N ALA A 79 5.353 -16.673 -6.207 1.00 0.00 N ATOM 1155 CA ALA A 79 5.851 -17.674 -5.255 1.00 0.00 C ATOM 1156 C ALA A 79 4.776 -18.719 -4.988 1.00 0.00 C ATOM 1157 O ALA A 79 5.065 -19.829 -4.542 1.00 0.00 O ATOM 1158 CB ALA A 79 6.217 -17.002 -3.931 1.00 0.00 C ATOM 0 H ALA A 79 5.419 -15.708 -5.883 1.00 0.00 H new ATOM 0 HA ALA A 79 6.732 -18.150 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.585 -17.753 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.992 -16.256 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.335 -16.518 -3.512 1.00 0.00 H new ATOM 1164 N ASN A 80 3.536 -18.347 -5.271 1.00 0.00 N ATOM 1165 CA ASN A 80 2.405 -19.237 -5.073 1.00 0.00 C ATOM 1166 C ASN A 80 2.281 -20.148 -6.281 1.00 0.00 C ATOM 1167 O ASN A 80 1.756 -21.259 -6.198 1.00 0.00 O ATOM 1168 CB ASN A 80 1.123 -18.419 -4.908 1.00 0.00 C ATOM 1169 CG ASN A 80 0.001 -19.294 -4.369 1.00 0.00 C ATOM 1170 OD1 ASN A 80 0.136 -20.516 -4.308 1.00 0.00 O ATOM 1171 ND2 ASN A 80 -1.108 -18.734 -3.973 1.00 0.00 N ATOM 0 H ASN A 80 3.289 -17.429 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 80 2.559 -19.834 -4.174 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.301 -17.585 -4.229 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.831 -17.992 -5.867 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.869 -19.309 -3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.215 -17.721 -4.026 1.00 0.00 H new ATOM 1178 N GLU A 81 2.779 -19.650 -7.405 1.00 0.00 N ATOM 1179 CA GLU A 81 2.745 -20.393 -8.653 1.00 0.00 C ATOM 1180 C GLU A 81 3.813 -21.477 -8.663 1.00 0.00 C ATOM 1181 O GLU A 81 3.534 -22.625 -9.010 1.00 0.00 O ATOM 1182 CB GLU A 81 2.977 -19.442 -9.826 1.00 0.00 C ATOM 1183 CG GLU A 81 2.597 -20.138 -11.135 1.00 0.00 C ATOM 1184 CD GLU A 81 1.082 -20.271 -11.235 1.00 0.00 C ATOM 1185 OE1 GLU A 81 0.449 -19.314 -11.651 1.00 0.00 O ATOM 1186 OE2 GLU A 81 0.575 -21.326 -10.892 1.00 0.00 O ATOM 0 H GLU A 81 3.213 -18.730 -7.476 1.00 0.00 H new ATOM 0 HA GLU A 81 1.766 -20.863 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.382 -18.538 -9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.022 -19.134 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.977 -19.568 -11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.060 -21.124 -11.180 1.00 0.00 H new ATOM 1193 N GLY A 82 5.050 -21.116 -8.299 1.00 0.00 N ATOM 1194 CA GLY A 82 6.133 -22.091 -8.299 1.00 0.00 C ATOM 1195 C GLY A 82 7.193 -21.799 -7.239 1.00 0.00 C ATOM 1196 O GLY A 82 7.156 -22.360 -6.144 1.00 0.00 O ATOM 0 H GLY A 82 5.317 -20.176 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.720 -23.085 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.603 -22.105 -9.282 1.00 0.00 H new ATOM 1200 N LYS A 83 8.191 -20.989 -7.606 1.00 0.00 N ATOM 1201 CA LYS A 83 9.325 -20.713 -6.706 1.00 0.00 C ATOM 1202 C LYS A 83 9.343 -19.296 -6.125 1.00 0.00 C ATOM 1203 O LYS A 83 9.061 -18.300 -6.802 1.00 0.00 O ATOM 1204 CB LYS A 83 10.622 -20.966 -7.494 1.00 0.00 C ATOM 1205 CG LYS A 83 11.875 -20.851 -6.598 1.00 0.00 C ATOM 1206 CD LYS A 83 12.132 -22.164 -5.836 1.00 0.00 C ATOM 1207 CE LYS A 83 12.572 -23.284 -6.796 1.00 0.00 C ATOM 1208 NZ LYS A 83 13.456 -24.233 -6.062 1.00 0.00 N ATOM 0 H LYS A 83 8.241 -20.516 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 83 9.226 -21.376 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.586 -21.959 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.695 -20.250 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.743 -20.606 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.745 -20.034 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.901 -22.005 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.226 -22.466 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.700 -23.808 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.101 -22.861 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.758 -24.993 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.292 -23.726 -5.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.935 -24.643 -5.260 1.00 0.00 H new ATOM 1222 N VAL A 84 9.744 -19.238 -4.854 1.00 0.00 N ATOM 1223 CA VAL A 84 9.875 -17.980 -4.136 1.00 0.00 C ATOM 1224 C VAL A 84 11.074 -17.203 -4.679 1.00 0.00 C ATOM 1225 O VAL A 84 10.987 -16.003 -4.924 1.00 0.00 O ATOM 1226 CB VAL A 84 10.088 -18.264 -2.643 1.00 0.00 C ATOM 1227 CG1 VAL A 84 10.379 -16.948 -1.912 1.00 0.00 C ATOM 1228 CG2 VAL A 84 8.831 -18.935 -2.040 1.00 0.00 C ATOM 0 H VAL A 84 9.985 -20.060 -4.300 1.00 0.00 H new ATOM 0 HA VAL A 84 8.968 -17.390 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 84 10.934 -18.941 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.531 -17.147 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.277 -16.492 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.536 -16.268 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.996 -19.131 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.973 -18.273 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.637 -19.875 -2.557 1.00 0.00 H new ATOM 1238 N LYS A 85 12.194 -17.903 -4.859 1.00 0.00 N ATOM 1239 CA LYS A 85 13.411 -17.273 -5.370 1.00 0.00 C ATOM 1240 C LYS A 85 13.097 -16.447 -6.611 1.00 0.00 C ATOM 1241 O LYS A 85 13.682 -15.386 -6.827 1.00 0.00 O ATOM 1242 CB LYS A 85 14.463 -18.330 -5.721 1.00 0.00 C ATOM 1243 CG LYS A 85 14.671 -19.279 -4.536 1.00 0.00 C ATOM 1244 CD LYS A 85 15.622 -20.413 -4.940 1.00 0.00 C ATOM 1245 CE LYS A 85 16.970 -19.839 -5.395 1.00 0.00 C ATOM 1246 NZ LYS A 85 17.327 -18.661 -4.555 1.00 0.00 N ATOM 0 H LYS A 85 12.284 -18.899 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 85 13.806 -16.623 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.145 -18.894 -6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.405 -17.846 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.082 -18.732 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.714 -19.691 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.772 -21.089 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.179 -21.000 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.745 -20.601 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.916 -19.546 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.359 -18.536 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.875 -17.808 -4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.996 -18.816 -3.581 1.00 0.00 H new ATOM 1260 N GLU A 86 12.158 -16.930 -7.414 1.00 0.00 N ATOM 1261 CA GLU A 86 11.766 -16.205 -8.619 1.00 0.00 C ATOM 1262 C GLU A 86 10.947 -15.001 -8.208 1.00 0.00 C ATOM 1263 O GLU A 86 10.939 -13.968 -8.875 1.00 0.00 O ATOM 1264 CB GLU A 86 10.941 -17.100 -9.542 1.00 0.00 C ATOM 1265 CG GLU A 86 11.798 -18.278 -9.993 1.00 0.00 C ATOM 1266 CD GLU A 86 10.933 -19.313 -10.706 1.00 0.00 C ATOM 1267 OE1 GLU A 86 9.824 -18.973 -11.081 1.00 0.00 O ATOM 1268 OE2 GLU A 86 11.395 -20.432 -10.864 1.00 0.00 O ATOM 0 H GLU A 86 11.660 -17.806 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 86 12.658 -15.890 -9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.053 -17.459 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.597 -16.533 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.586 -17.930 -10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.287 -18.733 -9.132 1.00 0.00 H new ATOM 1275 N ALA A 87 10.276 -15.154 -7.078 1.00 0.00 N ATOM 1276 CA ALA A 87 9.457 -14.085 -6.523 1.00 0.00 C ATOM 1277 C ALA A 87 10.336 -13.100 -5.761 1.00 0.00 C ATOM 1278 O ALA A 87 10.252 -11.891 -5.974 1.00 0.00 O ATOM 1279 CB ALA A 87 8.395 -14.662 -5.593 1.00 0.00 C ATOM 0 H ALA A 87 10.282 -16.011 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 87 8.961 -13.562 -7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.790 -13.852 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.756 -15.347 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.879 -15.200 -4.778 1.00 0.00 H new ATOM 1285 N GLN A 88 11.196 -13.625 -4.887 1.00 0.00 N ATOM 1286 CA GLN A 88 12.098 -12.771 -4.125 1.00 0.00 C ATOM 1287 C GLN A 88 12.813 -11.838 -5.099 1.00 0.00 C ATOM 1288 O GLN A 88 13.051 -10.665 -4.805 1.00 0.00 O ATOM 1289 CB GLN A 88 13.072 -13.646 -3.285 1.00 0.00 C ATOM 1290 CG GLN A 88 14.422 -13.867 -3.996 1.00 0.00 C ATOM 1291 CD GLN A 88 15.338 -12.680 -3.750 1.00 0.00 C ATOM 1292 OE1 GLN A 88 16.558 -12.787 -3.872 1.00 0.00 O ATOM 1293 NE2 GLN A 88 14.806 -11.549 -3.409 1.00 0.00 N ATOM 0 H GLN A 88 11.284 -14.623 -4.693 1.00 0.00 H new ATOM 0 HA GLN A 88 11.552 -12.154 -3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.246 -13.169 -2.321 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.608 -14.611 -3.084 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.890 -14.781 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.262 -13.998 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.794 -11.471 -3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.399 -10.737 -3.239 1.00 0.00 H new ATOM 1302 N ALA A 89 13.098 -12.359 -6.286 1.00 0.00 N ATOM 1303 CA ALA A 89 13.723 -11.557 -7.319 1.00 0.00 C ATOM 1304 C ALA A 89 12.669 -10.616 -7.871 1.00 0.00 C ATOM 1305 O ALA A 89 12.913 -9.422 -8.075 1.00 0.00 O ATOM 1306 CB ALA A 89 14.267 -12.451 -8.435 1.00 0.00 C ATOM 0 H ALA A 89 12.907 -13.325 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 89 14.560 -10.995 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.733 -11.833 -9.202 1.00 0.00 H new ATOM 0 HB2 ALA A 89 15.007 -13.137 -8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.449 -13.021 -8.876 1.00 0.00 H new ATOM 1312 N ALA A 90 11.471 -11.158 -8.073 1.00 0.00 N ATOM 1313 CA ALA A 90 10.375 -10.344 -8.561 1.00 0.00 C ATOM 1314 C ALA A 90 10.103 -9.236 -7.553 1.00 0.00 C ATOM 1315 O ALA A 90 9.491 -8.222 -7.878 1.00 0.00 O ATOM 1316 CB ALA A 90 9.120 -11.198 -8.761 1.00 0.00 C ATOM 0 H ALA A 90 11.242 -12.138 -7.909 1.00 0.00 H new ATOM 0 HA ALA A 90 10.644 -9.910 -9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.308 -10.571 -9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.327 -11.984 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.831 -11.648 -7.811 1.00 0.00 H new ATOM 1322 N ALA A 91 10.581 -9.449 -6.325 1.00 0.00 N ATOM 1323 CA ALA A 91 10.405 -8.474 -5.255 1.00 0.00 C ATOM 1324 C ALA A 91 11.329 -7.276 -5.477 1.00 0.00 C ATOM 1325 O ALA A 91 10.940 -6.125 -5.252 1.00 0.00 O ATOM 1326 CB ALA A 91 10.707 -9.123 -3.897 1.00 0.00 C ATOM 0 H ALA A 91 11.092 -10.288 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 91 9.371 -8.129 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.573 -8.387 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 91 10.027 -9.960 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.735 -9.484 -3.887 1.00 0.00 H new ATOM 1332 N GLU A 92 12.555 -7.557 -5.917 1.00 0.00 N ATOM 1333 CA GLU A 92 13.525 -6.495 -6.162 1.00 0.00 C ATOM 1334 C GLU A 92 12.994 -5.524 -7.223 1.00 0.00 C ATOM 1335 O GLU A 92 13.240 -4.315 -7.164 1.00 0.00 O ATOM 1336 CB GLU A 92 14.886 -7.107 -6.586 1.00 0.00 C ATOM 1337 CG GLU A 92 15.037 -7.147 -8.115 1.00 0.00 C ATOM 1338 CD GLU A 92 16.186 -8.070 -8.504 1.00 0.00 C ATOM 1339 OE1 GLU A 92 17.108 -8.197 -7.716 1.00 0.00 O ATOM 1340 OE2 GLU A 92 16.128 -8.634 -9.583 1.00 0.00 O ATOM 0 H GLU A 92 12.896 -8.499 -6.109 1.00 0.00 H new ATOM 0 HA GLU A 92 13.679 -5.931 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.699 -6.522 -6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.972 -8.117 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.110 -7.495 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.222 -6.143 -8.496 1.00 0.00 H new ATOM 1347 N GLN A 93 12.261 -6.058 -8.191 1.00 0.00 N ATOM 1348 CA GLN A 93 11.706 -5.217 -9.249 1.00 0.00 C ATOM 1349 C GLN A 93 10.707 -4.224 -8.662 1.00 0.00 C ATOM 1350 O GLN A 93 10.390 -3.205 -9.276 1.00 0.00 O ATOM 1351 CB GLN A 93 10.989 -6.065 -10.312 1.00 0.00 C ATOM 1352 CG GLN A 93 11.769 -7.352 -10.594 1.00 0.00 C ATOM 1353 CD GLN A 93 11.017 -8.195 -11.623 1.00 0.00 C ATOM 1354 OE1 GLN A 93 11.544 -8.473 -12.700 1.00 0.00 O ATOM 1355 NE2 GLN A 93 9.810 -8.623 -11.353 1.00 0.00 N ATOM 0 H GLN A 93 12.038 -7.050 -8.268 1.00 0.00 H new ATOM 0 HA GLN A 93 12.535 -4.684 -9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.983 -6.311 -9.971 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.882 -5.490 -11.232 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.765 -7.111 -10.965 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.901 -7.918 -9.672 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.375 -8.392 -10.460 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.305 -9.188 -12.036 1.00 0.00 H new ATOM 1364 N LEU A 94 10.201 -4.541 -7.476 1.00 0.00 N ATOM 1365 CA LEU A 94 9.214 -3.684 -6.824 1.00 0.00 C ATOM 1366 C LEU A 94 9.879 -2.521 -6.104 1.00 0.00 C ATOM 1367 O LEU A 94 9.631 -1.364 -6.439 1.00 0.00 O ATOM 1368 CB LEU A 94 8.368 -4.488 -5.829 1.00 0.00 C ATOM 1369 CG LEU A 94 7.868 -5.790 -6.478 1.00 0.00 C ATOM 1370 CD1 LEU A 94 6.836 -6.470 -5.565 1.00 0.00 C ATOM 1371 CD2 LEU A 94 7.241 -5.498 -7.851 1.00 0.00 C ATOM 0 H LEU A 94 10.454 -5.377 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 94 8.566 -3.284 -7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.960 -4.720 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.519 -3.890 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 94 8.718 -6.459 -6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.488 -7.391 -6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.297 -6.702 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.991 -5.800 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.892 -6.429 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.399 -4.816 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.987 -5.041 -8.502 1.00 0.00 H new ATOM 1383 N LYS A 95 10.723 -2.814 -5.112 1.00 0.00 N ATOM 1384 CA LYS A 95 11.389 -1.736 -4.380 1.00 0.00 C ATOM 1385 C LYS A 95 11.917 -0.699 -5.363 1.00 0.00 C ATOM 1386 O LYS A 95 12.009 0.485 -5.050 1.00 0.00 O ATOM 1387 CB LYS A 95 12.532 -2.279 -3.512 1.00 0.00 C ATOM 1388 CG LYS A 95 13.606 -2.915 -4.390 1.00 0.00 C ATOM 1389 CD LYS A 95 14.727 -3.467 -3.507 1.00 0.00 C ATOM 1390 CE LYS A 95 15.933 -3.823 -4.380 1.00 0.00 C ATOM 1391 NZ LYS A 95 16.877 -4.674 -3.601 1.00 0.00 N ATOM 0 H LYS A 95 10.956 -3.758 -4.804 1.00 0.00 H new ATOM 0 HA LYS A 95 10.662 -1.268 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.966 -1.471 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 95 12.145 -3.015 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 95 13.173 -3.716 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.006 -2.177 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.012 -2.728 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 95 14.380 -4.349 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.604 -4.351 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.435 -2.915 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.696 -4.916 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.200 -4.154 -2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.394 -5.546 -3.305 1.00 0.00 H new ATOM 1405 N THR A 96 12.236 -1.152 -6.568 1.00 0.00 N ATOM 1406 CA THR A 96 12.724 -0.244 -7.596 1.00 0.00 C ATOM 1407 C THR A 96 11.563 0.572 -8.156 1.00 0.00 C ATOM 1408 O THR A 96 11.690 1.770 -8.409 1.00 0.00 O ATOM 1409 CB THR A 96 13.369 -1.036 -8.728 1.00 0.00 C ATOM 1410 OG1 THR A 96 14.211 -2.041 -8.182 1.00 0.00 O ATOM 1411 CG2 THR A 96 14.191 -0.097 -9.613 1.00 0.00 C ATOM 0 H THR A 96 12.167 -2.128 -6.855 1.00 0.00 H new ATOM 0 HA THR A 96 13.463 0.424 -7.153 1.00 0.00 H new ATOM 0 HB THR A 96 12.591 -1.504 -9.331 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.674 -2.827 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.650 -0.667 -10.421 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.540 0.669 -10.034 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.970 0.377 -9.016 1.00 0.00 H new ATOM 1419 N THR A 97 10.430 -0.097 -8.350 1.00 0.00 N ATOM 1420 CA THR A 97 9.244 0.558 -8.883 1.00 0.00 C ATOM 1421 C THR A 97 8.768 1.655 -7.939 1.00 0.00 C ATOM 1422 O THR A 97 8.514 2.788 -8.363 1.00 0.00 O ATOM 1423 CB THR A 97 8.125 -0.465 -9.080 1.00 0.00 C ATOM 1424 OG1 THR A 97 8.606 -1.543 -9.871 1.00 0.00 O ATOM 1425 CG2 THR A 97 6.942 0.202 -9.784 1.00 0.00 C ATOM 0 H THR A 97 10.310 -1.089 -8.146 1.00 0.00 H new ATOM 0 HA THR A 97 9.501 1.005 -9.843 1.00 0.00 H new ATOM 0 HB THR A 97 7.801 -0.843 -8.111 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.160 -2.132 -9.318 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.144 -0.527 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.575 1.028 -9.175 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.263 0.581 -10.755 1.00 0.00 H new ATOM 1433 N ILE A 98 8.655 1.327 -6.656 1.00 0.00 N ATOM 1434 CA ILE A 98 8.215 2.319 -5.693 1.00 0.00 C ATOM 1435 C ILE A 98 9.246 3.429 -5.621 1.00 0.00 C ATOM 1436 O ILE A 98 8.922 4.569 -5.291 1.00 0.00 O ATOM 1437 CB ILE A 98 7.989 1.685 -4.300 1.00 0.00 C ATOM 1438 CG1 ILE A 98 9.296 1.648 -3.482 1.00 0.00 C ATOM 1439 CG2 ILE A 98 7.470 0.255 -4.475 1.00 0.00 C ATOM 1440 CD1 ILE A 98 9.055 0.902 -2.168 1.00 0.00 C ATOM 0 H ILE A 98 8.857 0.405 -6.270 1.00 0.00 H new ATOM 0 HA ILE A 98 7.260 2.732 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 98 7.262 2.294 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.082 1.154 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.639 2.662 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.309 -0.196 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.529 0.274 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.202 -0.332 -5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.979 0.876 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.283 1.415 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.732 -0.117 -2.382 1.00 0.00 H new ATOM 1452 N ARG A 99 10.499 3.087 -5.918 1.00 0.00 N ATOM 1453 CA ARG A 99 11.549 4.081 -5.858 1.00 0.00 C ATOM 1454 C ARG A 99 11.343 5.106 -6.948 1.00 0.00 C ATOM 1455 O ARG A 99 11.718 6.263 -6.797 1.00 0.00 O ATOM 1456 CB ARG A 99 12.932 3.432 -5.968 1.00 0.00 C ATOM 1457 CG ARG A 99 14.029 4.484 -5.735 1.00 0.00 C ATOM 1458 CD ARG A 99 13.889 5.132 -4.340 1.00 0.00 C ATOM 1459 NE ARG A 99 15.208 5.339 -3.752 1.00 0.00 N ATOM 1460 CZ ARG A 99 15.949 4.311 -3.349 1.00 0.00 C ATOM 1461 NH1 ARG A 99 15.496 3.094 -3.468 1.00 0.00 N ATOM 1462 NH2 ARG A 99 17.131 4.519 -2.834 1.00 0.00 N ATOM 0 H ARG A 99 10.799 2.152 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 99 11.502 4.581 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 99 13.025 2.630 -5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 99 13.053 2.981 -6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.010 4.018 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.969 5.253 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.365 6.084 -4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.289 4.494 -3.692 1.00 0.00 H new ATOM 0 HE ARG A 99 15.568 6.288 -3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.573 2.930 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.065 2.306 -3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.486 5.471 -2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.699 3.730 -2.525 1.00 0.00 H new ATOM 1476 N ALA A 100 10.698 4.698 -8.027 1.00 0.00 N ATOM 1477 CA ALA A 100 10.408 5.636 -9.087 1.00 0.00 C ATOM 1478 C ALA A 100 9.389 6.620 -8.542 1.00 0.00 C ATOM 1479 O ALA A 100 9.464 7.819 -8.795 1.00 0.00 O ATOM 1480 CB ALA A 100 9.843 4.913 -10.312 1.00 0.00 C ATOM 0 H ALA A 100 10.373 3.745 -8.187 1.00 0.00 H new ATOM 0 HA ALA A 100 11.317 6.148 -9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.632 5.639 -11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.571 4.187 -10.674 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.923 4.397 -10.038 1.00 0.00 H new ATOM 1486 N TYR A 101 8.458 6.092 -7.750 1.00 0.00 N ATOM 1487 CA TYR A 101 7.432 6.919 -7.127 1.00 0.00 C ATOM 1488 C TYR A 101 8.047 7.697 -5.953 1.00 0.00 C ATOM 1489 O TYR A 101 7.946 8.927 -5.873 1.00 0.00 O ATOM 1490 CB TYR A 101 6.258 6.004 -6.667 1.00 0.00 C ATOM 1491 CG TYR A 101 5.803 6.345 -5.260 1.00 0.00 C ATOM 1492 CD1 TYR A 101 5.205 7.582 -5.007 1.00 0.00 C ATOM 1493 CD2 TYR A 101 5.993 5.431 -4.215 1.00 0.00 C ATOM 1494 CE1 TYR A 101 4.795 7.909 -3.708 1.00 0.00 C ATOM 1495 CE2 TYR A 101 5.581 5.756 -2.917 1.00 0.00 C ATOM 1496 CZ TYR A 101 4.982 6.995 -2.664 1.00 0.00 C ATOM 1497 OH TYR A 101 4.580 7.317 -1.384 1.00 0.00 O ATOM 0 H TYR A 101 8.395 5.099 -7.526 1.00 0.00 H new ATOM 0 HA TYR A 101 7.038 7.647 -7.836 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.421 6.111 -7.357 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.572 4.961 -6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.059 8.286 -5.813 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.457 4.476 -4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.335 8.866 -3.512 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.725 5.051 -2.112 1.00 0.00 H new ATOM 0 HH TYR A 101 4.782 6.572 -0.781 1.00 0.00 H new ATOM 1507 N ASN A 102 8.681 6.963 -5.046 1.00 0.00 N ATOM 1508 CA ASN A 102 9.305 7.572 -3.878 1.00 0.00 C ATOM 1509 C ASN A 102 10.323 8.628 -4.301 1.00 0.00 C ATOM 1510 O ASN A 102 10.424 9.688 -3.684 1.00 0.00 O ATOM 1511 CB ASN A 102 9.995 6.490 -3.030 1.00 0.00 C ATOM 1512 CG ASN A 102 10.168 6.979 -1.600 1.00 0.00 C ATOM 1513 OD1 ASN A 102 9.956 6.225 -0.650 1.00 0.00 O ATOM 1514 ND2 ASN A 102 10.542 8.204 -1.396 1.00 0.00 N ATOM 0 H ASN A 102 8.776 5.949 -5.097 1.00 0.00 H new ATOM 0 HA ASN A 102 8.530 8.056 -3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.402 5.575 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.967 6.245 -3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.662 8.549 -0.444 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.716 8.823 -2.188 1.00 0.00 H new ATOM 1521 N GLN A 103 11.076 8.331 -5.355 1.00 0.00 N ATOM 1522 CA GLN A 103 12.087 9.264 -5.844 1.00 0.00 C ATOM 1523 C GLN A 103 11.449 10.337 -6.703 1.00 0.00 C ATOM 1524 O GLN A 103 11.878 11.492 -6.683 1.00 0.00 O ATOM 1525 CB GLN A 103 13.130 8.529 -6.680 1.00 0.00 C ATOM 1526 CG GLN A 103 14.310 9.460 -6.980 1.00 0.00 C ATOM 1527 CD GLN A 103 15.497 8.646 -7.486 1.00 0.00 C ATOM 1528 OE1 GLN A 103 16.590 8.726 -6.927 1.00 0.00 O ATOM 1529 NE2 GLN A 103 15.346 7.861 -8.518 1.00 0.00 N ATOM 0 H GLN A 103 11.008 7.461 -5.883 1.00 0.00 H new ATOM 0 HA GLN A 103 12.564 9.722 -4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 103 13.480 7.645 -6.146 1.00 0.00 H new ATOM 0 HB3 GLN A 103 12.683 8.182 -7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 103 14.020 10.200 -7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 103 14.590 10.008 -6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 103 14.439 7.796 -8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 103 16.135 7.313 -8.862 1.00 0.00 H new ATOM 1538 N LYS A 104 10.424 9.953 -7.467 1.00 0.00 N ATOM 1539 CA LYS A 104 9.742 10.917 -8.337 1.00 0.00 C ATOM 1540 C LYS A 104 9.550 12.222 -7.580 1.00 0.00 C ATOM 1541 O LYS A 104 9.821 13.304 -8.100 1.00 0.00 O ATOM 1542 CB LYS A 104 8.379 10.364 -8.816 1.00 0.00 C ATOM 1543 CG LYS A 104 7.410 11.511 -9.177 1.00 0.00 C ATOM 1544 CD LYS A 104 6.342 11.008 -10.152 1.00 0.00 C ATOM 1545 CE LYS A 104 5.249 12.068 -10.302 1.00 0.00 C ATOM 1546 NZ LYS A 104 4.230 11.598 -11.282 1.00 0.00 N ATOM 0 H LYS A 104 10.053 9.003 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 104 10.355 11.094 -9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.528 9.723 -9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.939 9.745 -8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.937 11.896 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.962 12.337 -9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.791 10.794 -11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.912 10.075 -9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.779 12.260 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.684 13.009 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.487 12.319 -11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.684 11.436 -12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.807 10.710 -10.944 1.00 0.00 H new ATOM 1560 N TYR A 105 9.076 12.105 -6.343 1.00 0.00 N ATOM 1561 CA TYR A 105 8.847 13.289 -5.510 1.00 0.00 C ATOM 1562 C TYR A 105 9.987 13.460 -4.506 1.00 0.00 C ATOM 1563 O TYR A 105 10.280 14.575 -4.074 1.00 0.00 O ATOM 1564 CB TYR A 105 7.488 13.160 -4.772 1.00 0.00 C ATOM 1565 CG TYR A 105 6.478 14.114 -5.385 1.00 0.00 C ATOM 1566 CD1 TYR A 105 6.640 15.495 -5.224 1.00 0.00 C ATOM 1567 CD2 TYR A 105 5.404 13.620 -6.136 1.00 0.00 C ATOM 1568 CE1 TYR A 105 5.726 16.380 -5.807 1.00 0.00 C ATOM 1569 CE2 TYR A 105 4.494 14.504 -6.723 1.00 0.00 C ATOM 1570 CZ TYR A 105 4.654 15.884 -6.558 1.00 0.00 C ATOM 1571 OH TYR A 105 3.760 16.758 -7.139 1.00 0.00 O ATOM 0 H TYR A 105 8.845 11.217 -5.897 1.00 0.00 H new ATOM 0 HA TYR A 105 8.817 14.172 -6.149 1.00 0.00 H new ATOM 0 HB2 TYR A 105 7.122 12.135 -4.840 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.616 13.383 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.471 15.878 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 105 5.279 12.555 -6.262 1.00 0.00 H new ATOM 0 HE1 TYR A 105 5.848 17.445 -5.678 1.00 0.00 H new ATOM 0 HE2 TYR A 105 3.668 14.122 -7.304 1.00 0.00 H new ATOM 0 HH TYR A 105 3.401 16.361 -7.960 1.00 0.00 H new ATOM 1581 N GLY A 106 10.622 12.352 -4.139 1.00 0.00 N ATOM 1582 CA GLY A 106 11.725 12.396 -3.183 1.00 0.00 C ATOM 1583 C GLY A 106 11.431 13.375 -2.048 1.00 0.00 C ATOM 1584 O GLY A 106 12.369 13.981 -1.558 1.00 0.00 O ATOM 1585 OXT GLY A 106 10.273 13.501 -1.685 1.00 0.00 O ATOM 0 H GLY A 106 10.395 11.420 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.895 11.400 -2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.641 12.691 -3.694 1.00 0.00 H new