USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 630 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 74 THR OG1 : rot -58:sc= -0.0397 USER MOD Set 1.2: A 75 ASN : amide:sc= 0 X(o=-0.04,f=-0.1) USER MOD Set 2.1: A 48 CYS SG : rot 180:sc= -0.093 USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.228 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -153:sc= -0.681 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.77) USER MOD Single : A 42 LYS NZ :NH3+ 150:sc= -0.0245 (180deg=-0.916) USER MOD Single : A 49 HIS : no HD1:sc= -2.55! C(o=-2.6!,f=-4.4!) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0839) USER MOD Single : A 53 HIS : no HD1:sc= -0.295 X(o=-0.29,f=-0.12) USER MOD Single : A 56 ASN : amide:sc= -0.498! C(o=-0.5!,f=-6.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -136:sc= -0.729 (180deg=-2.88!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= -1.17 (180deg=-1.88!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -91:sc= 0.00943 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 159:sc= -0.0268 (180deg=-0.745) USER MOD Single : A 95 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 269 N ASP A 21 -4.743 4.662 -7.792 1.00 0.00 N ATOM 270 CA ASP A 21 -5.837 3.801 -7.359 1.00 0.00 C ATOM 271 C ASP A 21 -5.333 2.718 -6.410 1.00 0.00 C ATOM 272 O ASP A 21 -4.265 2.143 -6.619 1.00 0.00 O ATOM 273 CB ASP A 21 -6.517 3.158 -8.569 1.00 0.00 C ATOM 274 CG ASP A 21 -7.634 4.018 -9.129 1.00 0.00 C ATOM 275 OD1 ASP A 21 -7.334 5.102 -9.671 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.808 3.605 -9.026 1.00 0.00 O ATOM 0 HA ASP A 21 -6.563 4.417 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.775 2.979 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.919 2.186 -8.283 1.00 0.00 H new ATOM 281 N TYR A 22 -6.108 2.448 -5.365 1.00 0.00 N ATOM 282 CA TYR A 22 -5.739 1.437 -4.381 1.00 0.00 C ATOM 283 C TYR A 22 -5.750 0.043 -5.001 1.00 0.00 C ATOM 284 O TYR A 22 -4.965 -0.825 -4.619 1.00 0.00 O ATOM 285 CB TYR A 22 -6.695 1.484 -3.188 1.00 0.00 C ATOM 286 CG TYR A 22 -6.424 2.631 -2.240 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.512 3.949 -2.670 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.082 2.396 -0.914 1.00 0.00 C ATOM 289 CE1 TYR A 22 -6.265 5.000 -1.808 1.00 0.00 C ATOM 290 CE2 TYR A 22 -5.834 3.440 -0.044 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.927 4.740 -0.496 1.00 0.00 C ATOM 292 OH TYR A 22 -5.681 5.784 0.367 1.00 0.00 O ATOM 0 H TYR A 22 -6.995 2.915 -5.178 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.728 1.654 -4.037 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.718 1.562 -3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.624 0.545 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.778 4.156 -3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.009 1.379 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.336 6.019 -2.159 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.569 3.240 0.984 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.457 5.430 1.253 1.00 0.00 H new ATOM 302 N TYR A 23 -6.645 -0.163 -5.961 1.00 0.00 N ATOM 303 CA TYR A 23 -6.761 -1.451 -6.634 1.00 0.00 C ATOM 304 C TYR A 23 -5.495 -1.769 -7.423 1.00 0.00 C ATOM 305 O TYR A 23 -4.930 -2.857 -7.304 1.00 0.00 O ATOM 306 CB TYR A 23 -7.973 -1.456 -7.567 1.00 0.00 C ATOM 307 CG TYR A 23 -9.278 -1.749 -6.863 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.663 -3.055 -6.587 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.128 -0.720 -6.475 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.855 -3.328 -5.945 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.321 -0.984 -5.832 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.681 -2.289 -5.569 1.00 0.00 C ATOM 313 OH TYR A 23 -12.869 -2.556 -4.929 1.00 0.00 O ATOM 0 H TYR A 23 -7.301 0.546 -6.290 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.895 -2.219 -5.873 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.045 -0.486 -8.060 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.816 -2.200 -8.348 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.019 -3.871 -6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.851 0.303 -6.680 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.139 -4.349 -5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.969 -0.172 -5.536 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.331 -1.714 -4.732 1.00 0.00 H new ATOM 323 N THR A 24 -5.054 -0.811 -8.232 1.00 0.00 N ATOM 324 CA THR A 24 -3.856 -0.986 -9.043 1.00 0.00 C ATOM 325 C THR A 24 -2.688 -1.482 -8.198 1.00 0.00 C ATOM 326 O THR A 24 -2.047 -2.481 -8.531 1.00 0.00 O ATOM 327 CB THR A 24 -3.450 0.327 -9.738 1.00 0.00 C ATOM 328 OG1 THR A 24 -4.546 0.833 -10.508 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.246 0.112 -10.642 1.00 0.00 C ATOM 0 H THR A 24 -5.509 0.095 -8.343 1.00 0.00 H new ATOM 0 HA THR A 24 -4.095 -1.731 -9.802 1.00 0.00 H new ATOM 0 HB THR A 24 -3.182 1.051 -8.969 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.280 1.669 -10.945 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.978 1.054 -11.122 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.404 -0.245 -10.048 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.491 -0.627 -11.405 1.00 0.00 H new ATOM 337 N LEU A 25 -2.416 -0.781 -7.104 1.00 0.00 N ATOM 338 CA LEU A 25 -1.324 -1.151 -6.209 1.00 0.00 C ATOM 339 C LEU A 25 -1.259 -2.664 -6.027 1.00 0.00 C ATOM 340 O LEU A 25 -0.186 -3.264 -6.108 1.00 0.00 O ATOM 341 CB LEU A 25 -1.498 -0.469 -4.851 1.00 0.00 C ATOM 342 CG LEU A 25 -1.698 1.047 -4.881 1.00 0.00 C ATOM 343 CD1 LEU A 25 -1.889 1.588 -3.473 1.00 0.00 C ATOM 344 CD2 LEU A 25 -0.518 1.727 -5.560 1.00 0.00 C ATOM 0 H LEU A 25 -2.936 0.047 -6.814 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.389 -0.817 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.355 -0.918 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.621 -0.687 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.598 1.264 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.030 2.668 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.766 1.125 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.008 1.360 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.677 2.805 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.397 1.502 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.427 1.362 -6.583 1.00 0.00 H new ATOM 356 N LEU A 26 -2.412 -3.275 -5.783 1.00 0.00 N ATOM 357 CA LEU A 26 -2.487 -4.720 -5.591 1.00 0.00 C ATOM 358 C LEU A 26 -2.940 -5.416 -6.870 1.00 0.00 C ATOM 359 O LEU A 26 -2.991 -6.643 -6.937 1.00 0.00 O ATOM 360 CB LEU A 26 -3.446 -5.054 -4.448 1.00 0.00 C ATOM 361 CG LEU A 26 -3.201 -4.318 -3.130 1.00 0.00 C ATOM 362 CD1 LEU A 26 -4.252 -4.704 -2.100 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.804 -4.614 -2.605 1.00 0.00 C ATOM 0 H LEU A 26 -3.308 -2.793 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.490 -5.080 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.462 -4.838 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.393 -6.126 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.278 -3.247 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.062 -4.171 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.242 -4.440 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.207 -5.778 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.648 -4.082 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.698 -5.686 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.064 -4.287 -3.335 1.00 0.00 H new ATOM 375 N GLY A 27 -3.268 -4.622 -7.886 1.00 0.00 N ATOM 376 CA GLY A 27 -3.711 -5.180 -9.150 1.00 0.00 C ATOM 377 C GLY A 27 -4.863 -6.151 -8.984 1.00 0.00 C ATOM 378 O GLY A 27 -4.848 -7.245 -9.549 1.00 0.00 O ATOM 0 H GLY A 27 -3.235 -3.603 -7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.015 -4.371 -9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.876 -5.690 -9.631 1.00 0.00 H new ATOM 382 N CYS A 28 -5.863 -5.752 -8.206 1.00 0.00 N ATOM 383 CA CYS A 28 -7.027 -6.596 -7.964 1.00 0.00 C ATOM 384 C CYS A 28 -8.310 -5.885 -8.381 1.00 0.00 C ATOM 385 O CYS A 28 -8.272 -4.775 -8.911 1.00 0.00 O ATOM 386 CB CYS A 28 -7.103 -6.987 -6.487 1.00 0.00 C ATOM 387 SG CYS A 28 -7.546 -5.624 -5.385 1.00 0.00 S ATOM 0 H CYS A 28 -5.891 -4.849 -7.732 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.921 -7.499 -8.566 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.835 -7.786 -6.371 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.138 -7.391 -6.179 1.00 0.00 H new ATOM 0 HG CYS A 28 -7.056 -5.846 -4.202 1.00 0.00 H new ATOM 393 N ASP A 29 -9.445 -6.533 -8.139 1.00 0.00 N ATOM 394 CA ASP A 29 -10.740 -5.962 -8.490 1.00 0.00 C ATOM 395 C ASP A 29 -11.834 -6.491 -7.567 1.00 0.00 C ATOM 396 O ASP A 29 -11.600 -7.396 -6.767 1.00 0.00 O ATOM 397 CB ASP A 29 -11.085 -6.282 -9.945 1.00 0.00 C ATOM 398 CG ASP A 29 -10.281 -5.452 -10.926 1.00 0.00 C ATOM 399 OD1 ASP A 29 -9.096 -5.777 -11.147 1.00 0.00 O ATOM 400 OD2 ASP A 29 -10.838 -4.478 -11.474 1.00 0.00 O ATOM 0 H ASP A 29 -9.494 -7.453 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.678 -4.881 -8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.903 -7.340 -10.134 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.148 -6.106 -10.111 1.00 0.00 H new ATOM 405 N GLU A 30 -13.028 -5.917 -7.683 1.00 0.00 N ATOM 406 CA GLU A 30 -14.157 -6.329 -6.857 1.00 0.00 C ATOM 407 C GLU A 30 -14.386 -7.834 -6.962 1.00 0.00 C ATOM 408 O GLU A 30 -14.862 -8.469 -6.019 1.00 0.00 O ATOM 409 CB GLU A 30 -15.423 -5.579 -7.274 1.00 0.00 C ATOM 410 CG GLU A 30 -15.694 -5.626 -8.769 1.00 0.00 C ATOM 411 CD GLU A 30 -17.056 -5.066 -9.133 1.00 0.00 C ATOM 412 OE1 GLU A 30 -17.985 -5.183 -8.306 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.192 -4.511 -10.243 1.00 0.00 O ATOM 0 H GLU A 30 -13.238 -5.166 -8.340 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.924 -6.085 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.277 -6.002 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.338 -4.538 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.922 -5.062 -9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.625 -6.657 -9.115 1.00 0.00 H new ATOM 420 N LEU A 31 -14.045 -8.400 -8.115 1.00 0.00 N ATOM 421 CA LEU A 31 -14.214 -9.831 -8.344 1.00 0.00 C ATOM 422 C LEU A 31 -13.232 -10.637 -7.501 1.00 0.00 C ATOM 423 O LEU A 31 -13.588 -11.670 -6.933 1.00 0.00 O ATOM 424 CB LEU A 31 -14.018 -10.156 -9.826 1.00 0.00 C ATOM 425 CG LEU A 31 -14.850 -9.332 -10.810 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.096 -8.079 -11.227 1.00 0.00 C ATOM 427 CD2 LEU A 31 -15.216 -10.167 -12.028 1.00 0.00 C ATOM 0 H LEU A 31 -13.650 -7.890 -8.905 1.00 0.00 H new ATOM 0 HA LEU A 31 -15.227 -10.104 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.964 -10.021 -10.071 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.249 -11.210 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.771 -9.028 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.703 -7.505 -11.927 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.885 -7.471 -10.347 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.159 -8.361 -11.706 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.808 -9.565 -12.717 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.306 -10.501 -12.527 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.797 -11.034 -11.713 1.00 0.00 H new ATOM 439 N SER A 32 -11.995 -10.157 -7.422 1.00 0.00 N ATOM 440 CA SER A 32 -10.960 -10.834 -6.649 1.00 0.00 C ATOM 441 C SER A 32 -11.331 -10.882 -5.170 1.00 0.00 C ATOM 442 O SER A 32 -12.119 -10.068 -4.689 1.00 0.00 O ATOM 443 CB SER A 32 -9.615 -10.126 -6.826 1.00 0.00 C ATOM 444 OG SER A 32 -9.010 -10.482 -8.057 1.00 0.00 O ATOM 0 H SER A 32 -11.685 -9.302 -7.884 1.00 0.00 H new ATOM 0 HA SER A 32 -10.876 -11.856 -7.019 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.761 -9.046 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.951 -10.388 -6.002 1.00 0.00 H new ATOM 0 HG SER A 32 -8.153 -10.015 -8.147 1.00 0.00 H new ATOM 450 N SER A 33 -10.757 -11.843 -4.453 1.00 0.00 N ATOM 451 CA SER A 33 -11.029 -12.001 -3.029 1.00 0.00 C ATOM 452 C SER A 33 -9.796 -11.658 -2.199 1.00 0.00 C ATOM 453 O SER A 33 -8.673 -11.659 -2.704 1.00 0.00 O ATOM 454 CB SER A 33 -11.478 -13.433 -2.730 1.00 0.00 C ATOM 455 OG SER A 33 -12.883 -13.564 -2.855 1.00 0.00 O ATOM 0 H SER A 33 -10.101 -12.524 -4.835 1.00 0.00 H new ATOM 0 HA SER A 33 -11.830 -11.313 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.983 -14.123 -3.414 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.172 -13.710 -1.721 1.00 0.00 H new ATOM 0 HG SER A 33 -13.144 -14.488 -2.661 1.00 0.00 H new ATOM 461 N VAL A 34 -10.013 -11.366 -0.920 1.00 0.00 N ATOM 462 CA VAL A 34 -8.921 -11.022 -0.018 1.00 0.00 C ATOM 463 C VAL A 34 -7.800 -12.053 -0.094 1.00 0.00 C ATOM 464 O VAL A 34 -6.636 -11.736 0.146 1.00 0.00 O ATOM 465 CB VAL A 34 -9.408 -10.916 1.439 1.00 0.00 C ATOM 466 CG1 VAL A 34 -9.993 -12.241 1.904 1.00 0.00 C ATOM 467 CG2 VAL A 34 -8.272 -10.476 2.350 1.00 0.00 C ATOM 0 H VAL A 34 -10.936 -11.361 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.541 -10.052 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.194 -10.162 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.332 -12.147 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.837 -12.509 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.230 -13.017 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.634 -10.406 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.462 -11.204 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.904 -9.502 2.028 1.00 0.00 H new ATOM 477 N GLU A 35 -8.161 -13.287 -0.430 1.00 0.00 N ATOM 478 CA GLU A 35 -7.185 -14.365 -0.538 1.00 0.00 C ATOM 479 C GLU A 35 -6.181 -14.081 -1.652 1.00 0.00 C ATOM 480 O GLU A 35 -4.974 -14.228 -1.465 1.00 0.00 O ATOM 481 CB GLU A 35 -7.890 -15.698 -0.799 1.00 0.00 C ATOM 482 CG GLU A 35 -8.851 -16.104 0.306 1.00 0.00 C ATOM 483 CD GLU A 35 -8.138 -16.477 1.592 1.00 0.00 C ATOM 484 OE1 GLU A 35 -7.395 -17.481 1.588 1.00 0.00 O ATOM 485 OE2 GLU A 35 -8.323 -15.765 2.601 1.00 0.00 O ATOM 0 H GLU A 35 -9.121 -13.565 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.645 -14.427 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.437 -15.632 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.139 -16.479 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.541 -15.283 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.450 -16.950 -0.031 1.00 0.00 H new ATOM 492 N GLN A 36 -6.691 -13.675 -2.810 1.00 0.00 N ATOM 493 CA GLN A 36 -5.840 -13.372 -3.954 1.00 0.00 C ATOM 494 C GLN A 36 -5.108 -12.050 -3.753 1.00 0.00 C ATOM 495 O GLN A 36 -3.906 -11.950 -4.003 1.00 0.00 O ATOM 496 CB GLN A 36 -6.673 -13.318 -5.236 1.00 0.00 C ATOM 497 CG GLN A 36 -6.805 -14.662 -5.933 1.00 0.00 C ATOM 498 CD GLN A 36 -5.463 -15.251 -6.324 1.00 0.00 C ATOM 499 OE1 GLN A 36 -4.876 -16.036 -5.580 1.00 0.00 O ATOM 500 NE2 GLN A 36 -4.970 -14.874 -7.498 1.00 0.00 N ATOM 0 H GLN A 36 -7.689 -13.548 -2.981 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.099 -14.166 -4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.668 -12.943 -4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.220 -12.604 -5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.326 -15.358 -5.276 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.420 -14.545 -6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.490 -14.221 -8.084 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.071 -15.238 -7.814 1.00 0.00 H new ATOM 509 N ILE A 37 -5.839 -11.037 -3.301 1.00 0.00 N ATOM 510 CA ILE A 37 -5.259 -9.721 -3.066 1.00 0.00 C ATOM 511 C ILE A 37 -3.997 -9.820 -2.215 1.00 0.00 C ATOM 512 O ILE A 37 -2.951 -9.275 -2.570 1.00 0.00 O ATOM 513 CB ILE A 37 -6.260 -8.779 -2.371 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.526 -8.632 -3.218 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.623 -7.421 -2.120 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.710 -8.092 -2.445 1.00 0.00 C ATOM 0 H ILE A 37 -6.835 -11.103 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.005 -9.310 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.537 -9.211 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.317 -7.969 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.788 -9.603 -3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.343 -6.767 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.748 -7.542 -1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.321 -6.980 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.572 -8.014 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.945 -8.766 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.467 -7.106 -2.049 1.00 0.00 H new ATOM 528 N LEU A 38 -4.102 -10.521 -1.092 1.00 0.00 N ATOM 529 CA LEU A 38 -2.969 -10.695 -0.189 1.00 0.00 C ATOM 530 C LEU A 38 -1.746 -11.208 -0.943 1.00 0.00 C ATOM 531 O LEU A 38 -0.712 -10.543 -0.994 1.00 0.00 O ATOM 532 CB LEU A 38 -3.332 -11.665 0.936 1.00 0.00 C ATOM 533 CG LEU A 38 -4.059 -11.058 2.137 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.751 -12.144 2.946 1.00 0.00 C ATOM 535 CD2 LEU A 38 -3.088 -10.277 3.010 1.00 0.00 C ATOM 0 H LEU A 38 -4.960 -10.978 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.727 -9.723 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.957 -12.455 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.416 -12.137 1.292 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.818 -10.369 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.263 -11.694 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.477 -12.660 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.010 -12.858 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.623 -9.852 3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.306 -10.944 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.639 -9.474 2.426 1.00 0.00 H new ATOM 547 N ALA A 39 -1.873 -12.394 -1.529 1.00 0.00 N ATOM 548 CA ALA A 39 -0.781 -12.994 -2.284 1.00 0.00 C ATOM 549 C ALA A 39 -0.129 -11.974 -3.212 1.00 0.00 C ATOM 550 O ALA A 39 1.070 -11.713 -3.117 1.00 0.00 O ATOM 551 CB ALA A 39 -1.283 -14.189 -3.081 1.00 0.00 C ATOM 0 H ALA A 39 -2.722 -12.958 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.027 -13.335 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.456 -14.627 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.695 -14.933 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.058 -13.864 -3.775 1.00 0.00 H new ATOM 557 N GLU A 40 -0.927 -11.402 -4.108 1.00 0.00 N ATOM 558 CA GLU A 40 -0.426 -10.411 -5.054 1.00 0.00 C ATOM 559 C GLU A 40 0.387 -9.337 -4.337 1.00 0.00 C ATOM 560 O GLU A 40 1.408 -8.873 -4.845 1.00 0.00 O ATOM 561 CB GLU A 40 -1.586 -9.766 -5.813 1.00 0.00 C ATOM 562 CG GLU A 40 -2.410 -10.754 -6.621 1.00 0.00 C ATOM 563 CD GLU A 40 -1.565 -11.577 -7.573 1.00 0.00 C ATOM 564 OE1 GLU A 40 -1.246 -11.074 -8.671 1.00 0.00 O ATOM 565 OE2 GLU A 40 -1.221 -12.725 -7.220 1.00 0.00 O ATOM 0 H GLU A 40 -1.922 -11.607 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 40 0.224 -10.921 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.238 -9.259 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.191 -9.002 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.939 -11.422 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.166 -10.212 -7.188 1.00 0.00 H new ATOM 572 N PHE A 41 -0.073 -8.947 -3.153 1.00 0.00 N ATOM 573 CA PHE A 41 0.609 -7.926 -2.366 1.00 0.00 C ATOM 574 C PHE A 41 1.955 -8.439 -1.861 1.00 0.00 C ATOM 575 O PHE A 41 2.900 -7.669 -1.687 1.00 0.00 O ATOM 576 CB PHE A 41 -0.261 -7.497 -1.183 1.00 0.00 C ATOM 577 CG PHE A 41 0.528 -6.989 -0.011 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.899 -5.656 0.067 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.900 -7.845 1.014 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.625 -5.186 1.145 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.626 -7.380 2.094 1.00 0.00 C ATOM 582 CZ PHE A 41 1.989 -6.049 2.159 1.00 0.00 C ATOM 0 H PHE A 41 -0.915 -9.322 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 41 0.785 -7.064 -3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.949 -6.718 -1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.868 -8.344 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.617 -4.977 -0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.619 -8.887 0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.907 -4.145 1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.909 -8.057 2.887 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.557 -5.684 3.002 1.00 0.00 H new ATOM 592 N LYS A 42 2.034 -9.744 -1.627 1.00 0.00 N ATOM 593 CA LYS A 42 3.263 -10.362 -1.142 1.00 0.00 C ATOM 594 C LYS A 42 4.330 -10.377 -2.232 1.00 0.00 C ATOM 595 O LYS A 42 5.514 -10.175 -1.958 1.00 0.00 O ATOM 596 CB LYS A 42 2.986 -11.789 -0.665 1.00 0.00 C ATOM 597 CG LYS A 42 2.082 -11.859 0.554 1.00 0.00 C ATOM 598 CD LYS A 42 2.067 -13.252 1.159 1.00 0.00 C ATOM 599 CE LYS A 42 0.762 -13.529 1.889 1.00 0.00 C ATOM 600 NZ LYS A 42 -0.261 -14.130 0.990 1.00 0.00 N ATOM 0 H LYS A 42 1.261 -10.395 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 42 3.632 -9.771 -0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.529 -12.353 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.933 -12.276 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.421 -11.141 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.068 -11.573 0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.209 -13.993 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.902 -13.358 1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.950 -14.202 2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.376 -12.600 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.890 -14.747 1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.821 -13.374 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.211 -14.690 0.252 1.00 0.00 H new ATOM 614 N VAL A 43 3.905 -10.617 -3.468 1.00 0.00 N ATOM 615 CA VAL A 43 4.824 -10.655 -4.599 1.00 0.00 C ATOM 616 C VAL A 43 5.161 -9.249 -5.082 1.00 0.00 C ATOM 617 O VAL A 43 6.308 -8.955 -5.418 1.00 0.00 O ATOM 618 CB VAL A 43 4.236 -11.461 -5.773 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.172 -12.941 -5.425 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.859 -10.933 -6.145 1.00 0.00 C ATOM 0 H VAL A 43 2.929 -10.788 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 43 5.734 -11.144 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 43 4.891 -11.343 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.754 -13.495 -6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.176 -13.308 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.540 -13.082 -4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.459 -11.514 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.192 -11.020 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.938 -9.886 -6.439 1.00 0.00 H new ATOM 630 N ARG A 44 4.154 -8.382 -5.112 1.00 0.00 N ATOM 631 CA ARG A 44 4.343 -7.006 -5.554 1.00 0.00 C ATOM 632 C ARG A 44 5.214 -6.233 -4.568 1.00 0.00 C ATOM 633 O ARG A 44 5.989 -5.362 -4.959 1.00 0.00 O ATOM 634 CB ARG A 44 2.991 -6.308 -5.713 1.00 0.00 C ATOM 635 CG ARG A 44 2.323 -6.572 -7.052 1.00 0.00 C ATOM 636 CD ARG A 44 0.878 -6.099 -7.056 1.00 0.00 C ATOM 637 NE ARG A 44 0.435 -5.703 -8.391 1.00 0.00 N ATOM 638 CZ ARG A 44 0.208 -6.565 -9.375 1.00 0.00 C ATOM 639 NH1 ARG A 44 0.379 -7.864 -9.176 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.193 -6.127 -10.562 1.00 0.00 N ATOM 0 H ARG A 44 3.199 -8.609 -4.835 1.00 0.00 H new ATOM 0 HA ARG A 44 4.848 -7.027 -6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.326 -6.636 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.130 -5.234 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.876 -6.064 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.359 -7.639 -7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.235 -6.896 -6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.771 -5.256 -6.374 1.00 0.00 H new ATOM 0 HE ARG A 44 0.292 -4.710 -8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.686 -8.204 -8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.204 -8.524 -9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.327 -5.128 -10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.367 -6.789 -11.318 1.00 0.00 H new ATOM 654 N ALA A 45 5.079 -6.558 -3.286 1.00 0.00 N ATOM 655 CA ALA A 45 5.854 -5.896 -2.244 1.00 0.00 C ATOM 656 C ALA A 45 7.311 -6.343 -2.276 1.00 0.00 C ATOM 657 O ALA A 45 8.213 -5.580 -1.926 1.00 0.00 O ATOM 658 CB ALA A 45 5.245 -6.173 -0.877 1.00 0.00 C ATOM 0 H ALA A 45 4.440 -7.276 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 45 5.826 -4.823 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.834 -5.673 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.222 -5.798 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.243 -7.247 -0.691 1.00 0.00 H new ATOM 664 N LEU A 46 7.536 -7.583 -2.697 1.00 0.00 N ATOM 665 CA LEU A 46 8.885 -8.132 -2.775 1.00 0.00 C ATOM 666 C LEU A 46 9.604 -7.636 -4.025 1.00 0.00 C ATOM 667 O LEU A 46 10.780 -7.275 -3.974 1.00 0.00 O ATOM 668 CB LEU A 46 8.836 -9.661 -2.774 1.00 0.00 C ATOM 669 CG LEU A 46 8.345 -10.316 -1.482 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.888 -11.742 -1.747 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.439 -10.293 -0.424 1.00 0.00 C ATOM 0 H LEU A 46 6.801 -8.227 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 46 9.440 -7.792 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.190 -9.984 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.836 -10.037 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 46 7.494 -9.747 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.542 -12.192 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.073 -11.734 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.721 -12.323 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.073 -10.763 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.309 -10.838 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.720 -9.261 -0.213 1.00 0.00 H new ATOM 683 N GLU A 47 8.889 -7.618 -5.145 1.00 0.00 N ATOM 684 CA GLU A 47 9.459 -7.164 -6.408 1.00 0.00 C ATOM 685 C GLU A 47 10.063 -5.770 -6.263 1.00 0.00 C ATOM 686 O GLU A 47 11.123 -5.480 -6.819 1.00 0.00 O ATOM 687 CB GLU A 47 8.390 -7.157 -7.503 1.00 0.00 C ATOM 688 CG GLU A 47 8.102 -8.533 -8.081 1.00 0.00 C ATOM 689 CD GLU A 47 9.330 -9.179 -8.691 1.00 0.00 C ATOM 690 OE1 GLU A 47 9.776 -8.712 -9.760 1.00 0.00 O ATOM 691 OE2 GLU A 47 9.846 -10.150 -8.099 1.00 0.00 O ATOM 0 H GLU A 47 7.914 -7.912 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 47 10.252 -7.857 -6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.468 -6.743 -7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.710 -6.494 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.710 -9.178 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.325 -8.448 -8.841 1.00 0.00 H new ATOM 698 N CYS A 48 9.381 -4.912 -5.513 1.00 0.00 N ATOM 699 CA CYS A 48 9.848 -3.548 -5.295 1.00 0.00 C ATOM 700 C CYS A 48 10.192 -3.319 -3.826 1.00 0.00 C ATOM 701 O CYS A 48 9.990 -2.228 -3.293 1.00 0.00 O ATOM 702 CB CYS A 48 8.786 -2.544 -5.744 1.00 0.00 C ATOM 703 SG CYS A 48 9.450 -0.937 -6.240 1.00 0.00 S ATOM 0 H CYS A 48 8.503 -5.137 -5.046 1.00 0.00 H new ATOM 0 HA CYS A 48 10.750 -3.401 -5.889 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.230 -2.969 -6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.075 -2.396 -4.931 1.00 0.00 H new ATOM 0 HG CYS A 48 8.475 -0.158 -6.605 1.00 0.00 H new ATOM 709 N HIS A 49 10.712 -4.356 -3.177 1.00 0.00 N ATOM 710 CA HIS A 49 11.084 -4.268 -1.769 1.00 0.00 C ATOM 711 C HIS A 49 12.272 -3.331 -1.578 1.00 0.00 C ATOM 712 O HIS A 49 13.211 -3.310 -2.374 1.00 0.00 O ATOM 713 CB HIS A 49 11.420 -5.656 -1.221 1.00 0.00 C ATOM 714 CG HIS A 49 11.115 -5.814 0.236 1.00 0.00 C ATOM 715 ND1 HIS A 49 12.055 -5.624 1.227 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.965 -6.145 0.870 1.00 0.00 C ATOM 717 CE1 HIS A 49 11.498 -5.833 2.406 1.00 0.00 C ATOM 718 NE2 HIS A 49 10.230 -6.150 2.217 1.00 0.00 N ATOM 0 H HIS A 49 10.885 -5.266 -3.603 1.00 0.00 H new ATOM 0 HA HIS A 49 10.234 -3.864 -1.219 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.862 -6.405 -1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.479 -5.856 -1.386 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.016 -6.364 0.403 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.995 -5.758 3.362 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.557 -6.364 2.953 1.00 0.00 H new ATOM 726 N PRO A 50 12.232 -2.537 -0.498 1.00 0.00 N ATOM 727 CA PRO A 50 13.298 -1.583 -0.177 1.00 0.00 C ATOM 728 C PRO A 50 14.585 -2.276 0.258 1.00 0.00 C ATOM 729 O PRO A 50 15.671 -1.947 -0.219 1.00 0.00 O ATOM 730 CB PRO A 50 12.710 -0.770 0.979 1.00 0.00 C ATOM 731 CG PRO A 50 11.711 -1.677 1.610 1.00 0.00 C ATOM 732 CD PRO A 50 11.144 -2.509 0.494 1.00 0.00 C ATOM 0 HA PRO A 50 13.579 -0.980 -1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.483 -0.476 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.242 0.147 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.179 -2.306 2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.927 -1.107 2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.883 -3.512 0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.237 -2.066 0.083 1.00 0.00 H new ATOM 740 N ASP A 51 14.455 -3.236 1.167 1.00 0.00 N ATOM 741 CA ASP A 51 15.608 -3.977 1.666 1.00 0.00 C ATOM 742 C ASP A 51 16.460 -4.498 0.513 1.00 0.00 C ATOM 743 O ASP A 51 17.689 -4.443 0.560 1.00 0.00 O ATOM 744 CB ASP A 51 15.150 -5.142 2.546 1.00 0.00 C ATOM 745 CG ASP A 51 16.314 -5.925 3.120 1.00 0.00 C ATOM 746 OD1 ASP A 51 16.978 -5.411 4.044 1.00 0.00 O ATOM 747 OD2 ASP A 51 16.561 -7.054 2.645 1.00 0.00 O ATOM 0 H ASP A 51 13.563 -3.519 1.573 1.00 0.00 H new ATOM 0 HA ASP A 51 16.215 -3.297 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.536 -4.759 3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.520 -5.811 1.960 1.00 0.00 H new ATOM 752 N LYS A 52 15.799 -5.005 -0.522 1.00 0.00 N ATOM 753 CA LYS A 52 16.494 -5.537 -1.688 1.00 0.00 C ATOM 754 C LYS A 52 17.410 -4.483 -2.303 1.00 0.00 C ATOM 755 O LYS A 52 18.599 -4.727 -2.515 1.00 0.00 O ATOM 756 CB LYS A 52 15.485 -6.021 -2.732 1.00 0.00 C ATOM 757 CG LYS A 52 14.816 -7.335 -2.367 1.00 0.00 C ATOM 758 CD LYS A 52 15.730 -8.519 -2.632 1.00 0.00 C ATOM 759 CE LYS A 52 15.189 -9.793 -2.002 1.00 0.00 C ATOM 760 NZ LYS A 52 15.346 -9.789 -0.521 1.00 0.00 N ATOM 0 H LYS A 52 14.782 -5.059 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 52 17.104 -6.379 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.719 -5.258 -2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.992 -6.135 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.534 -7.321 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.897 -7.448 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.840 -8.662 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.723 -8.309 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.135 -9.904 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.710 -10.654 -2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.125 -10.733 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.326 -9.540 -0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.697 -9.091 -0.105 1.00 0.00 H new ATOM 774 N HIS A 53 16.851 -3.311 -2.585 1.00 0.00 N ATOM 775 CA HIS A 53 17.619 -2.219 -3.173 1.00 0.00 C ATOM 776 C HIS A 53 17.457 -0.940 -2.357 1.00 0.00 C ATOM 777 O HIS A 53 16.669 -0.056 -2.694 1.00 0.00 O ATOM 778 CB HIS A 53 17.177 -1.977 -4.617 1.00 0.00 C ATOM 779 CG HIS A 53 16.832 -3.232 -5.356 1.00 0.00 C ATOM 780 ND1 HIS A 53 17.707 -3.867 -6.212 1.00 0.00 N ATOM 781 CD2 HIS A 53 15.698 -3.972 -5.363 1.00 0.00 C ATOM 782 CE1 HIS A 53 17.126 -4.942 -6.714 1.00 0.00 C ATOM 783 NE2 HIS A 53 15.907 -5.029 -6.215 1.00 0.00 N ATOM 0 H HIS A 53 15.869 -3.093 -2.416 1.00 0.00 H new ATOM 0 HA HIS A 53 18.672 -2.502 -3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 53 16.311 -1.315 -4.617 1.00 0.00 H new ATOM 0 HB3 HIS A 53 17.974 -1.459 -5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.797 -3.769 -4.803 1.00 0.00 H new ATOM 0 HE1 HIS A 53 17.573 -5.633 -7.414 1.00 0.00 H new ATOM 0 HE2 HIS A 53 15.230 -5.762 -6.428 1.00 0.00 H new ATOM 791 N PRO A 54 18.219 -0.838 -1.258 1.00 0.00 N ATOM 792 CA PRO A 54 18.177 0.329 -0.372 1.00 0.00 C ATOM 793 C PRO A 54 18.775 1.572 -1.021 1.00 0.00 C ATOM 794 O PRO A 54 18.848 2.633 -0.402 1.00 0.00 O ATOM 795 CB PRO A 54 19.022 -0.106 0.828 1.00 0.00 C ATOM 796 CG PRO A 54 19.945 -1.142 0.285 1.00 0.00 C ATOM 797 CD PRO A 54 19.180 -1.853 -0.796 1.00 0.00 C ATOM 0 HA PRO A 54 17.155 0.607 -0.113 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.574 0.734 1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.399 -0.510 1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.852 -0.687 -0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.254 -1.837 1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.836 -2.182 -1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.675 -2.740 -0.414 1.00 0.00 H new ATOM 805 N GLU A 55 19.202 1.433 -2.273 1.00 0.00 N ATOM 806 CA GLU A 55 19.794 2.547 -3.005 1.00 0.00 C ATOM 807 C GLU A 55 18.717 3.510 -3.495 1.00 0.00 C ATOM 808 O GLU A 55 18.907 4.726 -3.486 1.00 0.00 O ATOM 809 CB GLU A 55 20.609 2.029 -4.192 1.00 0.00 C ATOM 810 CG GLU A 55 21.891 1.321 -3.788 1.00 0.00 C ATOM 811 CD GLU A 55 22.991 2.286 -3.393 1.00 0.00 C ATOM 812 OE1 GLU A 55 23.020 2.705 -2.217 1.00 0.00 O ATOM 813 OE2 GLU A 55 23.824 2.623 -4.260 1.00 0.00 O ATOM 0 H GLU A 55 19.149 0.562 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 55 20.455 3.085 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 55 19.993 1.343 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.857 2.866 -4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.684 0.651 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.236 0.702 -4.616 1.00 0.00 H new ATOM 820 N ASN A 56 17.587 2.957 -3.922 1.00 0.00 N ATOM 821 CA ASN A 56 16.479 3.767 -4.417 1.00 0.00 C ATOM 822 C ASN A 56 15.388 3.901 -3.359 1.00 0.00 C ATOM 823 O ASN A 56 14.816 2.916 -2.893 1.00 0.00 O ATOM 824 CB ASN A 56 15.897 3.149 -5.690 1.00 0.00 C ATOM 825 CG ASN A 56 16.012 1.637 -5.703 1.00 0.00 C ATOM 826 OD1 ASN A 56 17.104 1.085 -5.564 1.00 0.00 O ATOM 827 ND2 ASN A 56 14.883 0.959 -5.872 1.00 0.00 N ATOM 0 H ASN A 56 17.414 1.952 -3.935 1.00 0.00 H new ATOM 0 HA ASN A 56 16.863 4.761 -4.646 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.848 3.432 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 56 16.414 3.558 -6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.898 -0.061 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.000 1.458 -5.983 1.00 0.00 H new ATOM 834 N PRO A 57 15.091 5.150 -2.970 1.00 0.00 N ATOM 835 CA PRO A 57 14.067 5.444 -1.964 1.00 0.00 C ATOM 836 C PRO A 57 12.657 5.162 -2.473 1.00 0.00 C ATOM 837 O PRO A 57 11.808 4.662 -1.736 1.00 0.00 O ATOM 838 CB PRO A 57 14.250 6.940 -1.697 1.00 0.00 C ATOM 839 CG PRO A 57 14.865 7.475 -2.944 1.00 0.00 C ATOM 840 CD PRO A 57 15.733 6.372 -3.483 1.00 0.00 C ATOM 0 HA PRO A 57 14.178 4.822 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.296 7.424 -1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.892 7.112 -0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.099 7.758 -3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.453 8.369 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.765 6.382 -4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.761 6.463 -3.133 1.00 0.00 H new ATOM 848 N LYS A 58 12.414 5.487 -3.738 1.00 0.00 N ATOM 849 CA LYS A 58 11.108 5.268 -4.348 1.00 0.00 C ATOM 850 C LYS A 58 10.550 3.902 -3.962 1.00 0.00 C ATOM 851 O LYS A 58 9.381 3.778 -3.599 1.00 0.00 O ATOM 852 CB LYS A 58 11.208 5.379 -5.871 1.00 0.00 C ATOM 853 CG LYS A 58 11.420 6.799 -6.365 1.00 0.00 C ATOM 854 CD LYS A 58 10.950 6.967 -7.800 1.00 0.00 C ATOM 855 CE LYS A 58 11.900 6.296 -8.780 1.00 0.00 C ATOM 856 NZ LYS A 58 11.490 6.521 -10.193 1.00 0.00 N ATOM 0 H LYS A 58 13.105 5.904 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 58 10.429 6.036 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.032 4.756 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.296 4.981 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.880 7.493 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.477 7.055 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.952 6.541 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.872 8.028 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.909 6.681 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.934 5.225 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.163 6.048 -10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.538 6.131 -10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.483 7.541 -10.394 1.00 0.00 H new ATOM 870 N ALA A 59 11.394 2.879 -4.042 1.00 0.00 N ATOM 871 CA ALA A 59 10.986 1.522 -3.698 1.00 0.00 C ATOM 872 C ALA A 59 10.235 1.495 -2.372 1.00 0.00 C ATOM 873 O ALA A 59 9.165 0.896 -2.264 1.00 0.00 O ATOM 874 CB ALA A 59 12.198 0.605 -3.640 1.00 0.00 C ATOM 0 H ALA A 59 12.365 2.964 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 59 10.311 1.164 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.878 -0.405 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.691 0.592 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.894 0.969 -2.884 1.00 0.00 H new ATOM 880 N VAL A 60 10.803 2.147 -1.362 1.00 0.00 N ATOM 881 CA VAL A 60 10.187 2.197 -0.041 1.00 0.00 C ATOM 882 C VAL A 60 8.760 2.726 -0.121 1.00 0.00 C ATOM 883 O VAL A 60 7.869 2.245 0.579 1.00 0.00 O ATOM 884 CB VAL A 60 10.998 3.083 0.923 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.294 3.194 2.267 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.406 2.533 1.094 1.00 0.00 C ATOM 0 H VAL A 60 11.689 2.648 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 60 10.173 1.176 0.341 1.00 0.00 H new ATOM 0 HB VAL A 60 11.072 4.083 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.882 3.824 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.308 3.636 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.187 2.202 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.965 3.171 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.355 1.523 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.908 2.511 0.127 1.00 0.00 H new ATOM 896 N GLU A 61 8.550 3.720 -0.979 1.00 0.00 N ATOM 897 CA GLU A 61 7.229 4.315 -1.149 1.00 0.00 C ATOM 898 C GLU A 61 6.223 3.276 -1.635 1.00 0.00 C ATOM 899 O GLU A 61 5.195 3.044 -0.997 1.00 0.00 O ATOM 900 CB GLU A 61 7.294 5.480 -2.139 1.00 0.00 C ATOM 901 CG GLU A 61 6.260 6.562 -1.875 1.00 0.00 C ATOM 902 CD GLU A 61 6.457 7.783 -2.751 1.00 0.00 C ATOM 903 OE1 GLU A 61 7.608 8.253 -2.865 1.00 0.00 O ATOM 904 OE2 GLU A 61 5.459 8.270 -3.322 1.00 0.00 O ATOM 0 H GLU A 61 9.276 4.130 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 61 6.899 4.689 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.289 5.923 -2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.155 5.095 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.263 6.155 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.310 6.859 -0.827 1.00 0.00 H new ATOM 911 N THR A 62 6.526 2.653 -2.769 1.00 0.00 N ATOM 912 CA THR A 62 5.648 1.640 -3.343 1.00 0.00 C ATOM 913 C THR A 62 5.295 0.572 -2.314 1.00 0.00 C ATOM 914 O THR A 62 4.210 -0.008 -2.354 1.00 0.00 O ATOM 915 CB THR A 62 6.296 0.963 -4.566 1.00 0.00 C ATOM 916 OG1 THR A 62 6.767 1.957 -5.483 1.00 0.00 O ATOM 917 CG2 THR A 62 5.302 0.049 -5.267 1.00 0.00 C ATOM 0 H THR A 62 7.373 2.832 -3.309 1.00 0.00 H new ATOM 0 HA THR A 62 4.739 2.152 -3.659 1.00 0.00 H new ATOM 0 HB THR A 62 7.137 0.362 -4.219 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.179 1.519 -6.257 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.781 -0.418 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.967 -0.723 -4.575 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.445 0.633 -5.602 1.00 0.00 H new ATOM 925 N PHE A 63 6.217 0.318 -1.391 1.00 0.00 N ATOM 926 CA PHE A 63 6.003 -0.681 -0.351 1.00 0.00 C ATOM 927 C PHE A 63 4.989 -0.187 0.677 1.00 0.00 C ATOM 928 O PHE A 63 4.098 -0.927 1.090 1.00 0.00 O ATOM 929 CB PHE A 63 7.324 -1.019 0.342 1.00 0.00 C ATOM 930 CG PHE A 63 7.184 -2.038 1.436 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.737 -3.319 1.155 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.499 -1.715 2.746 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.607 -4.260 2.160 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.372 -2.652 3.755 1.00 0.00 C ATOM 935 CZ PHE A 63 6.924 -3.925 3.461 1.00 0.00 C ATOM 0 H PHE A 63 7.120 0.791 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 63 5.608 -1.581 -0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.030 -1.390 -0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.750 -0.106 0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.487 -3.586 0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.848 -0.720 2.982 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.258 -5.255 1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.623 -2.389 4.772 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.822 -4.657 4.248 1.00 0.00 H new ATOM 945 N GLN A 64 5.134 1.070 1.085 1.00 0.00 N ATOM 946 CA GLN A 64 4.233 1.663 2.065 1.00 0.00 C ATOM 947 C GLN A 64 2.797 1.671 1.550 1.00 0.00 C ATOM 948 O GLN A 64 1.870 1.274 2.256 1.00 0.00 O ATOM 949 CB GLN A 64 4.675 3.089 2.400 1.00 0.00 C ATOM 950 CG GLN A 64 6.053 3.165 3.036 1.00 0.00 C ATOM 951 CD GLN A 64 6.029 2.853 4.520 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.865 3.746 5.351 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.193 1.580 4.860 1.00 0.00 N ATOM 0 H GLN A 64 5.867 1.697 0.752 1.00 0.00 H new ATOM 0 HA GLN A 64 4.272 1.056 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.672 3.685 1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.947 3.537 3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.720 2.466 2.532 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.464 4.163 2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.326 0.872 4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.186 1.310 5.844 1.00 0.00 H new ATOM 962 N LYS A 65 2.620 2.127 0.315 1.00 0.00 N ATOM 963 CA LYS A 65 1.298 2.186 -0.297 1.00 0.00 C ATOM 964 C LYS A 65 0.719 0.787 -0.479 1.00 0.00 C ATOM 965 O LYS A 65 -0.496 0.615 -0.582 1.00 0.00 O ATOM 966 CB LYS A 65 1.370 2.900 -1.649 1.00 0.00 C ATOM 967 CG LYS A 65 2.379 2.289 -2.606 1.00 0.00 C ATOM 968 CD LYS A 65 2.339 2.965 -3.966 1.00 0.00 C ATOM 969 CE LYS A 65 3.103 4.280 -3.958 1.00 0.00 C ATOM 970 NZ LYS A 65 2.308 5.379 -3.343 1.00 0.00 N ATOM 0 H LYS A 65 3.376 2.461 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 65 0.642 2.747 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.384 2.882 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.625 3.947 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.380 2.377 -2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.174 1.225 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.766 2.300 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.303 3.147 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.036 4.155 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.369 4.552 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.396 6.238 -3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.308 5.097 -3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.664 5.571 -2.385 1.00 0.00 H new ATOM 984 N LEU A 66 1.595 -0.210 -0.516 1.00 0.00 N ATOM 985 CA LEU A 66 1.171 -1.596 -0.684 1.00 0.00 C ATOM 986 C LEU A 66 0.558 -2.138 0.603 1.00 0.00 C ATOM 987 O LEU A 66 -0.542 -2.688 0.594 1.00 0.00 O ATOM 988 CB LEU A 66 2.357 -2.466 -1.104 1.00 0.00 C ATOM 989 CG LEU A 66 2.617 -2.567 -2.607 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.972 -3.205 -2.873 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.510 -3.360 -3.287 1.00 0.00 C ATOM 0 H LEU A 66 2.604 -0.085 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 66 0.412 -1.625 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.255 -2.076 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.200 -3.472 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 66 2.625 -1.560 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.139 -3.269 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.755 -2.598 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.993 -4.206 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.711 -3.422 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.471 -4.365 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.554 -2.862 -3.126 1.00 0.00 H new ATOM 1003 N GLN A 67 1.278 -1.976 1.709 1.00 0.00 N ATOM 1004 CA GLN A 67 0.804 -2.448 3.004 1.00 0.00 C ATOM 1005 C GLN A 67 -0.455 -1.700 3.428 1.00 0.00 C ATOM 1006 O GLN A 67 -1.196 -2.153 4.301 1.00 0.00 O ATOM 1007 CB GLN A 67 1.894 -2.276 4.063 1.00 0.00 C ATOM 1008 CG GLN A 67 2.124 -0.830 4.472 1.00 0.00 C ATOM 1009 CD GLN A 67 2.716 -0.703 5.861 1.00 0.00 C ATOM 1010 OE1 GLN A 67 2.007 -0.803 6.863 1.00 0.00 O ATOM 1011 NE2 GLN A 67 4.024 -0.481 5.930 1.00 0.00 N ATOM 0 H GLN A 67 2.191 -1.522 1.734 1.00 0.00 H new ATOM 0 HA GLN A 67 0.562 -3.507 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.625 -2.856 4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.828 -2.690 3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.791 -0.355 3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.177 -0.291 4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.574 -0.405 5.074 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.478 -0.387 6.838 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.693 -0.551 2.805 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.864 0.261 3.116 1.00 0.00 C ATOM 1022 C LYS A 68 -3.111 -0.300 2.441 1.00 0.00 C ATOM 1023 O LYS A 68 -4.032 -0.768 3.108 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.638 1.709 2.673 1.00 0.00 C ATOM 1025 CG LYS A 68 -1.038 2.590 3.755 1.00 0.00 C ATOM 1026 CD LYS A 68 -2.109 3.146 4.678 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.510 2.134 5.741 1.00 0.00 C ATOM 1028 NZ LYS A 68 -1.326 1.450 6.330 1.00 0.00 N ATOM 0 H LYS A 68 -0.090 -0.161 2.081 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.016 0.237 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.980 1.716 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.589 2.135 2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.318 2.014 4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.491 3.412 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.742 4.053 5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.985 3.427 4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.068 2.638 6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.177 1.392 5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.593 1.010 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.987 0.717 5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.570 2.145 6.494 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.131 -0.251 1.113 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.264 -0.758 0.347 1.00 0.00 C ATOM 1044 C ALA A 69 -4.674 -2.146 0.827 1.00 0.00 C ATOM 1045 O ALA A 69 -5.861 -2.449 0.941 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.926 -0.789 -1.136 1.00 0.00 C ATOM 0 H ALA A 69 -2.376 0.134 0.545 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.107 -0.085 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.780 -1.169 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.689 0.219 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.066 -1.439 -1.300 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.683 -2.987 1.107 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.940 -4.343 1.576 1.00 0.00 C ATOM 1054 C LYS A 70 -4.919 -4.339 2.745 1.00 0.00 C ATOM 1055 O LYS A 70 -5.937 -5.031 2.716 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.631 -5.016 1.996 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.831 -6.320 2.748 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.585 -6.714 3.523 1.00 0.00 C ATOM 1059 CE LYS A 70 -1.931 -7.549 4.746 1.00 0.00 C ATOM 1060 NZ LYS A 70 -0.874 -7.464 5.792 1.00 0.00 N ATOM 0 H LYS A 70 -2.694 -2.752 1.017 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.384 -4.906 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.029 -5.207 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.064 -4.328 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.671 -6.220 3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.088 -7.111 2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.915 -7.277 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.049 -5.817 3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.880 -7.210 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.066 -8.589 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.147 -8.047 6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.027 -7.811 5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.763 -6.475 6.094 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.606 -3.554 3.771 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.460 -3.460 4.949 1.00 0.00 C ATOM 1076 C GLU A 71 -6.792 -2.801 4.604 1.00 0.00 C ATOM 1077 O GLU A 71 -7.849 -3.233 5.067 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.758 -2.667 6.054 1.00 0.00 C ATOM 1079 CG GLU A 71 -5.411 -2.814 7.418 1.00 0.00 C ATOM 1080 CD GLU A 71 -4.545 -2.278 8.541 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -3.369 -2.688 8.629 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -5.042 -1.448 9.330 1.00 0.00 O ATOM 0 H GLU A 71 -3.768 -2.974 3.810 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.656 -4.471 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.720 -2.993 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.743 -1.612 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.366 -2.288 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.627 -3.867 7.602 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.734 -1.754 3.789 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.935 -1.036 3.381 1.00 0.00 C ATOM 1091 C ILE A 72 -8.906 -1.958 2.652 1.00 0.00 C ATOM 1092 O ILE A 72 -10.118 -1.740 2.668 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.596 0.158 2.469 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.654 1.126 3.189 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -8.867 0.872 2.035 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.317 1.887 4.316 1.00 0.00 C ATOM 0 H ILE A 72 -5.868 -1.384 3.398 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.404 -0.665 4.292 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.091 -0.216 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.807 0.567 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.255 1.838 2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.610 1.713 1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.505 0.178 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.398 1.237 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.591 2.554 4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.147 2.473 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.692 1.183 5.059 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.366 -2.991 2.014 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.185 -3.949 1.279 1.00 0.00 C ATOM 1110 C LEU A 73 -9.461 -5.189 2.123 1.00 0.00 C ATOM 1111 O LEU A 73 -10.604 -5.463 2.488 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.490 -4.349 -0.024 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.195 -3.213 -1.004 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.317 -3.705 -2.144 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.490 -2.622 -1.542 1.00 0.00 C ATOM 0 H LEU A 73 -7.365 -3.187 1.991 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.137 -3.472 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.549 -4.840 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.111 -5.088 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.656 -2.430 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.118 -2.883 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.375 -4.079 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.828 -4.507 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.260 -1.815 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.056 -3.397 -2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.082 -2.230 -0.715 1.00 0.00 H new ATOM 1127 N THR A 74 -8.405 -5.936 2.431 1.00 0.00 N ATOM 1128 CA THR A 74 -8.533 -7.146 3.233 1.00 0.00 C ATOM 1129 C THR A 74 -9.634 -7.001 4.277 1.00 0.00 C ATOM 1130 O THR A 74 -10.457 -7.897 4.453 1.00 0.00 O ATOM 1131 CB THR A 74 -7.210 -7.492 3.944 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.714 -6.343 4.641 1.00 0.00 O ATOM 1133 CG2 THR A 74 -6.169 -7.974 2.945 1.00 0.00 C ATOM 0 H THR A 74 -7.452 -5.724 2.137 1.00 0.00 H new ATOM 0 HA THR A 74 -8.791 -7.953 2.547 1.00 0.00 H new ATOM 0 HB THR A 74 -7.404 -8.293 4.657 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.593 -5.604 4.009 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.244 -8.212 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.538 -8.865 2.437 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.979 -7.191 2.211 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.643 -5.864 4.966 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.645 -5.601 5.993 1.00 0.00 C ATOM 1143 C ASN A 75 -11.943 -5.098 5.370 1.00 0.00 C ATOM 1144 O ASN A 75 -11.957 -4.080 4.679 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.118 -4.576 6.999 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.377 -5.225 8.152 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -8.363 -5.896 7.954 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -9.882 -5.029 9.364 1.00 0.00 N ATOM 0 H ASN A 75 -8.968 -5.111 4.832 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.851 -6.537 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.452 -3.880 6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.952 -3.992 7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.428 -5.442 10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.724 -4.466 9.481 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.032 -5.818 5.621 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.335 -5.444 5.084 1.00 0.00 C ATOM 1157 C GLU A 76 -14.755 -4.065 5.586 1.00 0.00 C ATOM 1158 O GLU A 76 -15.410 -3.307 4.872 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.389 -6.482 5.473 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.530 -6.675 6.974 1.00 0.00 C ATOM 1161 CD GLU A 76 -16.715 -7.546 7.342 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -17.829 -7.271 6.851 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -16.527 -8.504 8.122 1.00 0.00 O ATOM 0 H GLU A 76 -13.038 -6.663 6.192 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.254 -5.408 3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.352 -6.180 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.132 -7.437 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.618 -7.125 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.637 -5.702 7.453 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.372 -3.749 6.820 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.710 -2.463 7.418 1.00 0.00 C ATOM 1172 C GLU A 77 -14.199 -1.311 6.556 1.00 0.00 C ATOM 1173 O GLU A 77 -14.976 -0.475 6.094 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.122 -2.360 8.826 1.00 0.00 C ATOM 1175 CG GLU A 77 -14.557 -1.113 9.578 1.00 0.00 C ATOM 1176 CD GLU A 77 -13.737 0.108 9.207 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -12.491 0.016 9.239 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -14.339 1.153 8.886 1.00 0.00 O ATOM 0 H GLU A 77 -13.828 -4.366 7.424 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.796 -2.394 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.415 -3.240 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.034 -2.372 8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.609 -0.916 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.472 -1.291 10.650 1.00 0.00 H new ATOM 1185 N SER A 78 -12.888 -1.275 6.344 1.00 0.00 N ATOM 1186 CA SER A 78 -12.271 -0.225 5.542 1.00 0.00 C ATOM 1187 C SER A 78 -12.721 -0.318 4.087 1.00 0.00 C ATOM 1188 O SER A 78 -13.176 0.666 3.503 1.00 0.00 O ATOM 1189 CB SER A 78 -10.747 -0.320 5.623 1.00 0.00 C ATOM 1190 OG SER A 78 -10.326 -1.667 5.753 1.00 0.00 O ATOM 0 H SER A 78 -12.232 -1.961 6.717 1.00 0.00 H new ATOM 0 HA SER A 78 -12.589 0.738 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.304 0.118 4.728 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.388 0.260 6.473 1.00 0.00 H new ATOM 0 HG SER A 78 -10.256 -1.898 6.703 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.590 -1.507 3.509 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.982 -1.730 2.122 1.00 0.00 C ATOM 1198 C ARG A 79 -14.332 -1.083 1.828 1.00 0.00 C ATOM 1199 O ARG A 79 -14.518 -0.457 0.785 1.00 0.00 O ATOM 1200 CB ARG A 79 -13.045 -3.228 1.822 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.246 -3.546 0.349 1.00 0.00 C ATOM 1202 CD ARG A 79 -13.195 -5.044 0.091 1.00 0.00 C ATOM 1203 NE ARG A 79 -13.125 -5.352 -1.335 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.733 -6.526 -1.815 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.376 -7.499 -0.988 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.696 -6.730 -3.126 1.00 0.00 N ATOM 0 H ARG A 79 -12.216 -2.331 3.979 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.231 -1.270 1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.123 -3.698 2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.860 -3.671 2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.207 -3.151 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.476 -3.048 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.328 -5.470 0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -14.078 -5.516 0.521 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.392 -4.625 -1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.402 -7.347 0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.075 -8.400 -1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.969 -5.984 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.395 -7.633 -3.493 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.272 -1.241 2.754 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.605 -0.672 2.595 1.00 0.00 C ATOM 1222 C ALA A 80 -16.541 0.845 2.455 1.00 0.00 C ATOM 1223 O ALA A 80 -16.976 1.404 1.449 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.488 -1.059 3.772 1.00 0.00 C ATOM 0 H ALA A 80 -15.135 -1.758 3.622 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.039 -1.077 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.480 -0.627 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.569 -2.145 3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.049 -0.683 4.696 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.996 1.506 3.472 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.877 2.959 3.462 1.00 0.00 C ATOM 1232 C ARG A 81 -15.303 3.449 2.136 1.00 0.00 C ATOM 1233 O ARG A 81 -15.867 4.335 1.493 1.00 0.00 O ATOM 1234 CB ARG A 81 -14.991 3.427 4.618 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.734 3.570 5.936 1.00 0.00 C ATOM 1236 CD ARG A 81 -16.484 4.891 6.013 1.00 0.00 C ATOM 1237 NE ARG A 81 -16.900 5.206 7.377 1.00 0.00 N ATOM 1238 CZ ARG A 81 -17.990 4.706 7.946 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -18.770 3.871 7.274 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -18.302 5.040 9.192 1.00 0.00 N ATOM 0 H ARG A 81 -15.630 1.058 4.312 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.875 3.381 3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.173 2.719 4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.544 4.386 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.437 2.744 6.050 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.027 3.503 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.848 5.691 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.361 4.848 5.367 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.321 5.845 7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.533 3.611 6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.607 3.489 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.704 5.681 9.713 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.140 4.655 9.629 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.179 2.867 1.734 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.526 3.246 0.486 1.00 0.00 C ATOM 1256 C TYR A 82 -14.525 3.266 -0.667 1.00 0.00 C ATOM 1257 O TYR A 82 -14.803 4.317 -1.245 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.383 2.280 0.169 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.761 2.504 -1.190 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -11.444 3.784 -1.629 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.490 1.436 -2.036 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.875 3.993 -2.870 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.920 1.635 -3.279 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.615 2.916 -3.691 1.00 0.00 C ATOM 1265 OH TYR A 82 -10.049 3.119 -4.929 1.00 0.00 O ATOM 0 H TYR A 82 -13.701 2.131 2.254 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.120 4.250 0.609 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.612 2.379 0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.757 1.258 0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.646 4.630 -0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.729 0.432 -1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.635 4.994 -3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.715 0.793 -3.924 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.931 2.257 -5.380 1.00 0.00 H new ATOM 1275 N ASP A 83 -15.061 2.096 -0.996 1.00 0.00 N ATOM 1276 CA ASP A 83 -16.031 1.977 -2.079 1.00 0.00 C ATOM 1277 C ASP A 83 -16.987 3.166 -2.086 1.00 0.00 C ATOM 1278 O ASP A 83 -17.239 3.766 -3.131 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.820 0.673 -1.944 1.00 0.00 C ATOM 1280 CG ASP A 83 -16.122 -0.497 -2.608 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -15.101 -0.967 -2.062 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -16.597 -0.945 -3.672 1.00 0.00 O ATOM 0 H ASP A 83 -14.841 1.217 -0.529 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.486 1.967 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.971 0.451 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.808 0.802 -2.387 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.516 3.500 -0.913 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.445 4.617 -0.784 1.00 0.00 C ATOM 1289 C HIS A 84 -17.883 5.870 -1.450 1.00 0.00 C ATOM 1290 O HIS A 84 -18.599 6.587 -2.149 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.738 4.897 0.690 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.837 5.892 0.904 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -21.105 5.737 0.385 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.852 7.061 1.587 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.852 6.767 0.738 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -21.115 7.585 1.468 1.00 0.00 N ATOM 0 H HIS A 84 -17.317 3.013 -0.039 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.374 4.345 -1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.005 3.962 1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.830 5.262 1.169 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -19.025 7.499 2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.889 6.915 0.475 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.433 8.464 1.877 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.599 6.127 -1.227 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.942 7.294 -1.804 1.00 0.00 C ATOM 1306 C TRP A 85 -15.904 7.200 -3.325 1.00 0.00 C ATOM 1307 O TRP A 85 -16.104 8.195 -4.023 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.522 7.430 -1.253 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.669 8.381 -2.037 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.441 9.698 -1.758 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.933 8.089 -3.230 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.607 10.242 -2.705 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -12.281 9.275 -3.619 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -12.760 6.940 -4.006 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -11.471 9.343 -4.749 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -11.956 7.009 -5.129 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -11.320 8.203 -5.491 1.00 0.00 C ATOM 0 H TRP A 85 -15.993 5.543 -0.651 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.517 8.178 -1.528 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.572 7.767 -0.218 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -14.047 6.449 -1.246 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.855 10.234 -0.917 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -12.283 11.209 -2.724 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -13.246 6.015 -3.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -10.979 10.263 -5.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -11.816 6.127 -5.737 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -10.698 8.225 -6.374 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.646 6.000 -3.834 1.00 0.00 N ATOM 1329 CA ARG A 86 -15.581 5.777 -5.273 1.00 0.00 C ATOM 1330 C ARG A 86 -16.854 6.268 -5.957 1.00 0.00 C ATOM 1331 O ARG A 86 -16.797 6.965 -6.970 1.00 0.00 O ATOM 1332 CB ARG A 86 -15.369 4.292 -5.572 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.987 3.786 -5.194 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.567 2.611 -6.063 1.00 0.00 C ATOM 1335 NE ARG A 86 -13.480 2.977 -7.474 1.00 0.00 N ATOM 1336 CZ ARG A 86 -13.596 2.104 -8.469 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -13.801 0.821 -8.208 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -13.506 2.515 -9.727 1.00 0.00 N ATOM 0 H ARG A 86 -15.478 5.166 -3.270 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.736 6.343 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -16.119 3.711 -5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.532 4.117 -6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.262 4.593 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.982 3.485 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.600 2.238 -5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.282 1.797 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.321 3.957 -7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.870 0.502 -7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.890 0.153 -8.973 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.348 3.502 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.595 1.844 -10.490 1.00 0.00 H new ATOM 1352 N ARG A 87 -18.001 5.898 -5.397 1.00 0.00 N ATOM 1353 CA ARG A 87 -19.287 6.299 -5.953 1.00 0.00 C ATOM 1354 C ARG A 87 -19.413 7.820 -5.991 1.00 0.00 C ATOM 1355 O ARG A 87 -19.966 8.383 -6.935 1.00 0.00 O ATOM 1356 CB ARG A 87 -20.431 5.702 -5.132 1.00 0.00 C ATOM 1357 CG ARG A 87 -20.788 4.279 -5.528 1.00 0.00 C ATOM 1358 CD ARG A 87 -21.688 3.622 -4.494 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.015 2.243 -4.850 1.00 0.00 N ATOM 1360 CZ ARG A 87 -22.981 1.543 -4.266 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -23.711 2.089 -3.304 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -23.218 0.294 -4.645 1.00 0.00 N ATOM 0 H ARG A 87 -18.066 5.321 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 87 -19.346 5.921 -6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.157 5.718 -4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -21.313 6.333 -5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -21.288 4.284 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -19.876 3.693 -5.643 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.195 3.638 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -22.608 4.199 -4.395 1.00 0.00 H new ATOM 0 HE ARG A 87 -21.472 1.794 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -23.532 3.049 -3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -24.452 1.549 -2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -22.658 -0.129 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -23.960 -0.243 -4.196 1.00 0.00 H new ATOM 1376 N SER A 88 -18.897 8.477 -4.958 1.00 0.00 N ATOM 1377 CA SER A 88 -18.955 9.931 -4.870 1.00 0.00 C ATOM 1378 C SER A 88 -18.032 10.575 -5.900 1.00 0.00 C ATOM 1379 O SER A 88 -18.124 11.772 -6.169 1.00 0.00 O ATOM 1380 CB SER A 88 -18.571 10.395 -3.464 1.00 0.00 C ATOM 1381 OG SER A 88 -19.656 10.249 -2.564 1.00 0.00 O ATOM 0 H SER A 88 -18.434 8.025 -4.170 1.00 0.00 H new ATOM 0 HA SER A 88 -19.978 10.242 -5.080 1.00 0.00 H new ATOM 0 HB2 SER A 88 -17.718 9.817 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 88 -18.258 11.439 -3.495 1.00 0.00 H new ATOM 0 HG SER A 88 -19.384 10.551 -1.672 1.00 0.00 H new ATOM 1387 N GLN A 89 -17.143 9.770 -6.473 1.00 0.00 N ATOM 1388 CA GLN A 89 -16.202 10.261 -7.473 1.00 0.00 C ATOM 1389 C GLN A 89 -15.749 11.680 -7.144 1.00 0.00 C ATOM 1390 O GLN A 89 -15.768 12.562 -8.002 1.00 0.00 O ATOM 1391 CB GLN A 89 -16.839 10.226 -8.863 1.00 0.00 C ATOM 1392 CG GLN A 89 -16.732 8.872 -9.547 1.00 0.00 C ATOM 1393 CD GLN A 89 -17.583 8.782 -10.799 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -17.361 9.509 -11.768 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -18.564 7.887 -10.785 1.00 0.00 N ATOM 0 H GLN A 89 -17.055 8.776 -6.262 1.00 0.00 H new ATOM 0 HA GLN A 89 -15.328 9.609 -7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -17.891 10.499 -8.779 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -16.363 10.980 -9.491 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.690 8.681 -9.806 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -17.035 8.092 -8.849 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -18.712 7.305 -9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -19.170 7.781 -11.599 1.00 0.00 H new ATOM 1404 N MET A 90 -15.342 11.891 -5.896 1.00 0.00 N ATOM 1405 CA MET A 90 -14.883 13.203 -5.455 1.00 0.00 C ATOM 1406 C MET A 90 -13.633 13.627 -6.218 1.00 0.00 C ATOM 1407 O MET A 90 -12.915 12.790 -6.765 1.00 0.00 O ATOM 1408 CB MET A 90 -14.597 13.188 -3.952 1.00 0.00 C ATOM 1409 CG MET A 90 -15.799 12.797 -3.108 1.00 0.00 C ATOM 1410 SD MET A 90 -15.477 12.925 -1.339 1.00 0.00 S ATOM 1411 CE MET A 90 -16.734 11.829 -0.686 1.00 0.00 C ATOM 0 H MET A 90 -15.321 11.171 -5.174 1.00 0.00 H new ATOM 0 HA MET A 90 -15.674 13.925 -5.660 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.782 12.492 -3.753 1.00 0.00 H new ATOM 0 HB3 MET A 90 -14.255 14.177 -3.646 1.00 0.00 H new ATOM 0 HG2 MET A 90 -16.643 13.436 -3.367 1.00 0.00 H new ATOM 0 HG3 MET A 90 -16.089 11.774 -3.347 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.664 11.802 0.401 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.720 12.192 -0.977 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.585 10.826 -1.085 1.00 0.00 H new ATOM 1421 N SER A 91 -13.378 14.931 -6.252 1.00 0.00 N ATOM 1422 CA SER A 91 -12.216 15.466 -6.952 1.00 0.00 C ATOM 1423 C SER A 91 -10.925 14.893 -6.377 1.00 0.00 C ATOM 1424 O SER A 91 -10.085 14.371 -7.110 1.00 0.00 O ATOM 1425 CB SER A 91 -12.196 16.993 -6.858 1.00 0.00 C ATOM 1426 OG SER A 91 -13.398 17.551 -7.362 1.00 0.00 O ATOM 0 H SER A 91 -13.961 15.637 -5.803 1.00 0.00 H new ATOM 0 HA SER A 91 -12.288 15.175 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.059 17.295 -5.820 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.347 17.384 -7.419 1.00 0.00 H new ATOM 0 HG SER A 91 -13.361 18.528 -7.289 1.00 0.00 H new ATOM 1432 N MET A 92 -10.774 14.995 -5.061 1.00 0.00 N ATOM 1433 CA MET A 92 -9.585 14.485 -4.387 1.00 0.00 C ATOM 1434 C MET A 92 -9.676 12.976 -4.190 1.00 0.00 C ATOM 1435 O MET A 92 -10.761 12.396 -4.141 1.00 0.00 O ATOM 1436 CB MET A 92 -9.404 15.177 -3.034 1.00 0.00 C ATOM 1437 CG MET A 92 -10.103 14.465 -1.888 1.00 0.00 C ATOM 1438 SD MET A 92 -11.899 14.490 -2.048 1.00 0.00 S ATOM 1439 CE MET A 92 -12.393 14.387 -0.329 1.00 0.00 C ATOM 0 H MET A 92 -11.459 15.426 -4.440 1.00 0.00 H new ATOM 0 HA MET A 92 -8.721 14.700 -5.016 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.339 15.248 -2.811 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.784 16.196 -3.103 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.760 13.431 -1.844 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.819 14.935 -0.946 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.412 14.758 -0.221 1.00 0.00 H new ATOM 0 HE2 MET A 92 -12.347 13.349 0.001 1.00 0.00 H new ATOM 0 HE3 MET A 92 -11.720 14.991 0.280 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.511 12.321 -4.076 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.434 10.870 -3.883 1.00 0.00 C ATOM 1451 C PRO A 93 -8.922 10.442 -2.503 1.00 0.00 C ATOM 1452 O PRO A 93 -9.211 11.280 -1.648 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.941 10.571 -4.038 1.00 0.00 C ATOM 1454 CG PRO A 93 -6.259 11.845 -3.678 1.00 0.00 C ATOM 1455 CD PRO A 93 -7.179 12.948 -4.125 1.00 0.00 C ATOM 0 HA PRO A 93 -9.067 10.331 -4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.630 9.757 -3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.702 10.269 -5.058 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.076 11.900 -2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.290 11.922 -4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.118 13.814 -3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.934 13.294 -5.129 1.00 0.00 H new ATOM 1463 N PHE A 94 -9.011 9.133 -2.292 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.465 8.594 -1.015 1.00 0.00 C ATOM 1465 C PHE A 94 -8.407 8.792 0.066 1.00 0.00 C ATOM 1466 O PHE A 94 -8.731 9.022 1.231 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.796 7.106 -1.154 1.00 0.00 C ATOM 1468 CG PHE A 94 -10.077 6.430 0.157 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -9.045 5.894 0.910 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -11.373 6.328 0.636 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -9.299 5.271 2.117 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -11.634 5.707 1.842 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.596 5.176 2.583 1.00 0.00 C ATOM 0 H PHE A 94 -8.775 8.426 -2.988 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.365 9.134 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.663 6.994 -1.805 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.963 6.601 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.029 5.964 0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.189 6.739 0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.485 4.859 2.695 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.649 5.637 2.205 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.798 4.688 3.525 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.141 8.700 -0.329 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.035 8.868 0.606 1.00 0.00 C ATOM 1485 C GLN A 95 -6.228 10.117 1.459 1.00 0.00 C ATOM 1486 O GLN A 95 -5.710 10.206 2.572 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.708 8.952 -0.151 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.339 10.363 -0.576 1.00 0.00 C ATOM 1489 CD GLN A 95 -2.988 10.432 -1.262 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.176 11.310 -0.972 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.741 9.502 -2.177 1.00 0.00 N ATOM 0 H GLN A 95 -6.856 8.510 -1.290 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.015 8.000 1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.914 8.552 0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.763 8.318 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.105 10.747 -1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.331 11.012 0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.444 8.793 -2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.849 9.497 -2.671 1.00 0.00 H new ATOM 1500 N GLN A 96 -6.975 11.080 0.928 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.234 12.325 1.641 1.00 0.00 C ATOM 1502 C GLN A 96 -8.483 12.206 2.508 1.00 0.00 C ATOM 1503 O GLN A 96 -8.466 12.555 3.688 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.394 13.481 0.651 1.00 0.00 C ATOM 1505 CG GLN A 96 -6.964 14.826 1.212 1.00 0.00 C ATOM 1506 CD GLN A 96 -7.451 15.991 0.373 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -7.195 16.054 -0.830 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -8.158 16.922 1.004 1.00 0.00 N ATOM 0 H GLN A 96 -7.411 11.022 0.008 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.382 12.527 2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.809 13.266 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.438 13.542 0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.345 14.930 2.228 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.876 14.858 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.347 16.830 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.512 17.729 0.490 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.564 11.712 1.915 1.00 0.00 N ATOM 1518 CA TRP A 97 -10.822 11.547 2.634 1.00 0.00 C ATOM 1519 C TRP A 97 -10.581 10.993 4.034 1.00 0.00 C ATOM 1520 O TRP A 97 -11.192 11.444 5.002 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.758 10.619 1.859 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.170 10.645 2.360 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -14.008 11.724 2.393 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -13.909 9.544 2.901 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.222 11.359 2.923 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.187 10.028 3.241 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.615 8.197 3.129 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.168 9.210 3.797 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.589 7.388 3.681 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -15.853 7.896 4.010 1.00 0.00 C ATOM 0 H TRP A 97 -9.595 11.419 0.939 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.289 12.527 2.727 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.748 10.902 0.806 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.378 9.599 1.919 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.754 12.717 2.053 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.020 11.980 3.058 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.644 7.796 2.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.143 9.599 4.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -14.373 6.346 3.862 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -16.593 7.237 4.440 1.00 0.00 H new ATOM 1541 N GLU A 98 -9.686 10.015 4.132 1.00 0.00 N ATOM 1542 CA GLU A 98 -9.366 9.400 5.415 1.00 0.00 C ATOM 1543 C GLU A 98 -9.166 10.462 6.493 1.00 0.00 C ATOM 1544 O GLU A 98 -9.926 10.534 7.458 1.00 0.00 O ATOM 1545 CB GLU A 98 -8.108 8.538 5.293 1.00 0.00 C ATOM 1546 CG GLU A 98 -8.396 7.084 4.960 1.00 0.00 C ATOM 1547 CD GLU A 98 -7.168 6.345 4.465 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -6.595 6.769 3.440 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -6.781 5.343 5.101 1.00 0.00 O ATOM 0 H GLU A 98 -9.170 9.632 3.340 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.205 8.767 5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.464 8.958 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.554 8.584 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.785 6.582 5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.175 7.037 4.199 1.00 0.00 H new