USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 770 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 33 CYS SG : rot 168:sc= 0.029 USER MOD Set 1.2: A 59 CYS SG : rot -79:sc= -1.27 USER MOD Set 1.3: A 101 HIS : no HE2:sc= -0.727 K(o=-10,f=-11) USER MOD Set 1.4: A 102 CYS SG : rot 50:sc= -8.01! USER MOD Set 2.1: A 37 MET CE :methyl 163:sc= -3.89! (180deg=-4.62!) USER MOD Set 2.2: A 56 THR OG1 : rot -137:sc= 0.411 USER MOD Set 2.3: A 66 SER OG : rot 80:sc= 0.39 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 40 GLN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.358 F(o=-1.3,f=-0.36) USER MOD Single : A 38 LYS NZ :NH3+ -102:sc= -2.69 (180deg=-8.49!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -113:sc= 0.00394 (180deg=-0.239) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.0137 (180deg=-0.204) USER MOD Single : A 61 SER OG : rot 100:sc= -0.19 USER MOD Single : A 65 SER OG : rot 180:sc= -0.282 USER MOD Single : A 67 SER OG : rot 80:sc= 0.0238 USER MOD Single : A 70 THR OG1 : rot -160:sc= -0.298 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0999) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 83 THR OG1 : rot -78:sc= 1.15 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -2.06! C(o=-2.1!,f=-4.3!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00563) USER MOD Single : A 103 SER OG : rot 109:sc= -0.89 USER MOD Single : A 104 MET CE :methyl 150:sc= -0.186 (180deg=-0.911) USER MOD Single : A 111 LYS NZ :NH3+ -125:sc= -0.689! (180deg=-4.86!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.736) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -8.941 -13.200 -2.430 1.00 0.00 N ATOM 282 CA ASN A 22 -9.448 -12.342 -1.365 1.00 0.00 C ATOM 283 C ASN A 22 -8.450 -11.236 -1.035 1.00 0.00 C ATOM 284 O ASN A 22 -8.824 -10.179 -0.526 1.00 0.00 O ATOM 285 CB ASN A 22 -9.742 -13.169 -0.111 1.00 0.00 C ATOM 286 CG ASN A 22 -8.658 -14.190 0.175 1.00 0.00 C ATOM 287 OD1 ASN A 22 -7.618 -13.766 0.882 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -8.755 -15.347 -0.236 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.372 -11.881 -1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.844 -12.502 0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.697 -13.681 -0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.573 -15.629 -0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.018 -16.023 -0.036 1.00 0.00 H new ATOM 295 N VAL A 23 -7.179 -11.486 -1.330 1.00 0.00 N ATOM 296 CA VAL A 23 -6.127 -10.512 -1.067 1.00 0.00 C ATOM 297 C VAL A 23 -5.462 -10.058 -2.362 1.00 0.00 C ATOM 298 O VAL A 23 -4.955 -10.874 -3.131 1.00 0.00 O ATOM 299 CB VAL A 23 -5.052 -11.087 -0.126 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.775 -12.545 -0.458 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.776 -10.261 -0.207 1.00 0.00 C ATOM 0 H VAL A 23 -6.853 -12.356 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.601 -9.657 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.426 -11.037 0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.013 -12.934 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.691 -13.125 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.422 -12.623 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.027 -10.681 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.397 -10.276 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.989 -9.233 0.085 1.00 0.00 H new ATOM 311 N GLY A 24 -5.467 -8.749 -2.597 1.00 0.00 N ATOM 312 CA GLY A 24 -4.861 -8.209 -3.799 1.00 0.00 C ATOM 313 C GLY A 24 -3.385 -7.914 -3.623 1.00 0.00 C ATOM 314 O GLY A 24 -2.920 -7.674 -2.508 1.00 0.00 O ATOM 0 H GLY A 24 -5.880 -8.053 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.992 -8.917 -4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.380 -7.294 -4.084 1.00 0.00 H new ATOM 318 N THR A 25 -2.643 -7.934 -4.726 1.00 0.00 N ATOM 319 CA THR A 25 -1.210 -7.670 -4.689 1.00 0.00 C ATOM 320 C THR A 25 -0.850 -6.466 -5.552 1.00 0.00 C ATOM 321 O THR A 25 -1.021 -6.489 -6.770 1.00 0.00 O ATOM 322 CB THR A 25 -0.401 -8.890 -5.167 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.836 -10.067 -4.477 1.00 0.00 O ATOM 324 CG2 THR A 25 1.087 -8.679 -4.932 1.00 0.00 C ATOM 0 H THR A 25 -3.011 -8.130 -5.657 1.00 0.00 H new ATOM 0 HA THR A 25 -0.955 -7.459 -3.651 1.00 0.00 H new ATOM 0 HB THR A 25 -0.569 -9.013 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.318 -10.839 -4.788 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.638 -9.554 -5.278 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.421 -7.799 -5.482 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.270 -8.532 -3.868 1.00 0.00 H new ATOM 332 N GLY A 26 -0.350 -5.413 -4.912 1.00 0.00 N ATOM 333 CA GLY A 26 0.027 -4.214 -5.637 1.00 0.00 C ATOM 334 C GLY A 26 1.489 -3.858 -5.449 1.00 0.00 C ATOM 335 O GLY A 26 1.898 -3.434 -4.367 1.00 0.00 O ATOM 0 H GLY A 26 -0.199 -5.369 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.175 -4.356 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.592 -3.381 -5.303 1.00 0.00 H new ATOM 339 N LEU A 27 2.278 -4.031 -6.503 1.00 0.00 N ATOM 340 CA LEU A 27 3.704 -3.727 -6.449 1.00 0.00 C ATOM 341 C LEU A 27 4.035 -2.517 -7.317 1.00 0.00 C ATOM 342 O LEU A 27 3.686 -2.471 -8.496 1.00 0.00 O ATOM 343 CB LEU A 27 4.522 -4.936 -6.906 1.00 0.00 C ATOM 344 CG LEU A 27 6.013 -4.689 -7.138 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.651 -4.077 -5.900 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.715 -5.984 -7.518 1.00 0.00 C ATOM 0 H LEU A 27 1.955 -4.380 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 27 3.962 -3.492 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.416 -5.724 -6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.088 -5.314 -7.832 1.00 0.00 H new ATOM 0 HG LEU A 27 6.122 -3.985 -7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.712 -3.908 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.166 -3.128 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.532 -4.756 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.775 -5.789 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.598 -6.711 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.276 -6.381 -8.433 1.00 0.00 H new ATOM 358 N VAL A 28 4.714 -1.538 -6.725 1.00 0.00 N ATOM 359 CA VAL A 28 5.096 -0.329 -7.444 1.00 0.00 C ATOM 360 C VAL A 28 6.458 0.177 -6.984 1.00 0.00 C ATOM 361 O VAL A 28 6.664 0.446 -5.801 1.00 0.00 O ATOM 362 CB VAL A 28 4.054 0.789 -7.255 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.722 0.388 -7.872 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.889 1.120 -5.780 1.00 0.00 C ATOM 0 H VAL A 28 5.010 -1.560 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 28 5.148 -0.592 -8.501 1.00 0.00 H new ATOM 0 HB VAL A 28 4.410 1.683 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.998 1.190 -7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.855 0.206 -8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.357 -0.520 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.149 1.912 -5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.556 0.232 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.844 1.454 -5.373 1.00 0.00 H new ATOM 374 N GLY A 29 7.386 0.306 -7.927 1.00 0.00 N ATOM 375 CA GLY A 29 8.717 0.780 -7.599 1.00 0.00 C ATOM 376 C GLY A 29 9.092 2.033 -8.365 1.00 0.00 C ATOM 377 O GLY A 29 8.328 2.506 -9.205 1.00 0.00 O ATOM 0 H GLY A 29 7.239 0.090 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.774 0.981 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.442 -0.005 -7.815 1.00 0.00 H new ATOM 381 N ALA A 30 10.271 2.572 -8.074 1.00 0.00 N ATOM 382 CA ALA A 30 10.746 3.778 -8.742 1.00 0.00 C ATOM 383 C ALA A 30 11.815 3.446 -9.777 1.00 0.00 C ATOM 384 O ALA A 30 12.746 2.682 -9.521 1.00 0.00 O ATOM 385 CB ALA A 30 11.285 4.769 -7.722 1.00 0.00 C ATOM 0 H ALA A 30 10.915 2.193 -7.380 1.00 0.00 H new ATOM 0 HA ALA A 30 9.903 4.232 -9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.636 5.664 -8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.493 5.038 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.112 4.316 -7.176 1.00 0.00 H new ATOM 391 N PRO A 31 11.682 4.034 -10.976 1.00 0.00 N ATOM 392 CA PRO A 31 12.628 3.815 -12.074 1.00 0.00 C ATOM 393 C PRO A 31 13.987 4.453 -11.804 1.00 0.00 C ATOM 394 O PRO A 31 15.024 3.804 -11.935 1.00 0.00 O ATOM 395 CB PRO A 31 11.948 4.491 -13.268 1.00 0.00 C ATOM 396 CG PRO A 31 11.062 5.525 -12.663 1.00 0.00 C ATOM 397 CD PRO A 31 10.597 4.956 -11.351 1.00 0.00 C ATOM 0 HA PRO A 31 12.836 2.756 -12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.680 4.940 -13.939 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.375 3.774 -13.856 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.600 6.461 -12.514 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.216 5.744 -13.315 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.455 5.736 -10.602 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.645 4.436 -11.453 1.00 0.00 H new ATOM 405 N ALA A 32 13.973 5.727 -11.425 1.00 0.00 N ATOM 406 CA ALA A 32 15.204 6.451 -11.134 1.00 0.00 C ATOM 407 C ALA A 32 15.836 5.959 -9.837 1.00 0.00 C ATOM 408 O ALA A 32 16.904 5.346 -9.848 1.00 0.00 O ATOM 409 CB ALA A 32 14.931 7.946 -11.057 1.00 0.00 C ATOM 0 H ALA A 32 13.123 6.279 -11.312 1.00 0.00 H new ATOM 0 HA ALA A 32 15.908 6.263 -11.945 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.859 8.475 -10.839 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.531 8.292 -12.010 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.207 8.143 -10.267 1.00 0.00 H new ATOM 415 N CYS A 33 15.171 6.232 -8.719 1.00 0.00 N ATOM 416 CA CYS A 33 15.668 5.818 -7.413 1.00 0.00 C ATOM 417 C CYS A 33 15.920 4.314 -7.378 1.00 0.00 C ATOM 418 O CYS A 33 16.874 3.848 -6.756 1.00 0.00 O ATOM 419 CB CYS A 33 14.671 6.205 -6.319 1.00 0.00 C ATOM 420 SG CYS A 33 15.408 6.355 -4.660 1.00 0.00 S ATOM 0 H CYS A 33 14.286 6.739 -8.692 1.00 0.00 H new ATOM 0 HA CYS A 33 16.613 6.331 -7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.206 7.154 -6.585 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.877 5.459 -6.286 1.00 0.00 H new ATOM 0 HG CYS A 33 14.561 6.930 -3.859 1.00 0.00 H new ATOM 425 N GLY A 34 15.057 3.559 -8.050 1.00 0.00 N ATOM 426 CA GLY A 34 15.202 2.115 -8.083 1.00 0.00 C ATOM 427 C GLY A 34 14.736 1.456 -6.801 1.00 0.00 C ATOM 428 O GLY A 34 15.519 0.803 -6.110 1.00 0.00 O ATOM 0 H GLY A 34 14.259 3.921 -8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.632 1.715 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.248 1.862 -8.259 1.00 0.00 H new ATOM 432 N ASP A 35 13.458 1.626 -6.481 1.00 0.00 N ATOM 433 CA ASP A 35 12.888 1.043 -5.272 1.00 0.00 C ATOM 434 C ASP A 35 11.832 -0.002 -5.618 1.00 0.00 C ATOM 435 O ASP A 35 11.337 -0.050 -6.744 1.00 0.00 O ATOM 436 CB ASP A 35 12.275 2.134 -4.393 1.00 0.00 C ATOM 437 CG ASP A 35 13.230 3.285 -4.148 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.443 3.114 -4.397 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.766 4.358 -3.709 1.00 0.00 O ATOM 0 H ASP A 35 12.797 2.163 -7.042 1.00 0.00 H new ATOM 0 HA ASP A 35 13.691 0.553 -4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.369 2.512 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.978 1.702 -3.437 1.00 0.00 H new ATOM 444 N VAL A 36 11.492 -0.839 -4.643 1.00 0.00 N ATOM 445 CA VAL A 36 10.495 -1.883 -4.845 1.00 0.00 C ATOM 446 C VAL A 36 9.572 -2.002 -3.637 1.00 0.00 C ATOM 447 O VAL A 36 9.959 -2.535 -2.597 1.00 0.00 O ATOM 448 CB VAL A 36 11.158 -3.249 -5.107 1.00 0.00 C ATOM 449 CG1 VAL A 36 10.102 -4.321 -5.327 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.100 -3.164 -6.298 1.00 0.00 C ATOM 0 H VAL A 36 11.893 -0.814 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 36 9.910 -1.598 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 36 11.743 -3.524 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.589 -5.279 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.472 -4.398 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.488 -4.055 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.559 -4.138 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.540 -2.867 -7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.877 -2.427 -6.096 1.00 0.00 H new ATOM 460 N MET A 37 8.349 -1.503 -3.783 1.00 0.00 N ATOM 461 CA MET A 37 7.370 -1.555 -2.704 1.00 0.00 C ATOM 462 C MET A 37 6.233 -2.512 -3.047 1.00 0.00 C ATOM 463 O MET A 37 5.369 -2.199 -3.867 1.00 0.00 O ATOM 464 CB MET A 37 6.810 -0.158 -2.427 1.00 0.00 C ATOM 465 CG MET A 37 5.981 -0.077 -1.155 1.00 0.00 C ATOM 466 SD MET A 37 4.227 -0.372 -1.449 1.00 0.00 S ATOM 467 CE MET A 37 3.511 1.106 -0.733 1.00 0.00 C ATOM 0 H MET A 37 8.013 -1.058 -4.637 1.00 0.00 H new ATOM 0 HA MET A 37 7.872 -1.922 -1.809 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.637 0.549 -2.358 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.195 0.152 -3.272 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.353 -0.808 -0.437 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.109 0.907 -0.704 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.489 1.226 -1.092 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.506 1.018 0.353 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.102 1.974 -1.025 1.00 0.00 H new ATOM 477 N LYS A 38 6.239 -3.681 -2.415 1.00 0.00 N ATOM 478 CA LYS A 38 5.208 -4.685 -2.653 1.00 0.00 C ATOM 479 C LYS A 38 4.125 -4.617 -1.581 1.00 0.00 C ATOM 480 O LYS A 38 4.347 -5.005 -0.433 1.00 0.00 O ATOM 481 CB LYS A 38 5.826 -6.084 -2.679 1.00 0.00 C ATOM 482 CG LYS A 38 4.800 -7.204 -2.656 1.00 0.00 C ATOM 483 CD LYS A 38 3.931 -7.189 -3.902 1.00 0.00 C ATOM 484 CE LYS A 38 4.521 -8.058 -5.003 1.00 0.00 C ATOM 485 NZ LYS A 38 3.703 -8.009 -6.246 1.00 0.00 N ATOM 0 H LYS A 38 6.946 -3.957 -1.734 1.00 0.00 H new ATOM 0 HA LYS A 38 4.751 -4.478 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.440 -6.184 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.491 -6.194 -1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.310 -8.164 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.171 -7.105 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.931 -7.544 -3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.826 -6.165 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.536 -7.727 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.591 -9.088 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.125 -8.871 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.081 -7.176 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.331 -7.946 -7.073 1.00 0.00 H new ATOM 499 N LEU A 39 2.952 -4.122 -1.962 1.00 0.00 N ATOM 500 CA LEU A 39 1.833 -4.004 -1.034 1.00 0.00 C ATOM 501 C LEU A 39 0.851 -5.158 -1.215 1.00 0.00 C ATOM 502 O LEU A 39 0.697 -5.685 -2.316 1.00 0.00 O ATOM 503 CB LEU A 39 1.114 -2.670 -1.238 1.00 0.00 C ATOM 504 CG LEU A 39 0.383 -2.108 -0.018 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.355 -1.378 0.896 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.743 -1.181 -0.451 1.00 0.00 C ATOM 0 H LEU A 39 2.752 -3.796 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 39 2.229 -4.044 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.845 -1.933 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.392 -2.789 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.051 -2.940 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.818 -0.985 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.127 -2.070 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.819 -0.555 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.252 -0.791 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.331 -0.353 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.454 -1.734 -1.065 1.00 0.00 H new ATOM 518 N GLN A 40 0.190 -5.541 -0.128 1.00 0.00 N ATOM 519 CA GLN A 40 -0.778 -6.631 -0.169 1.00 0.00 C ATOM 520 C GLN A 40 -1.844 -6.452 0.907 1.00 0.00 C ATOM 521 O GLN A 40 -1.533 -6.376 2.096 1.00 0.00 O ATOM 522 CB GLN A 40 -0.072 -7.976 0.014 1.00 0.00 C ATOM 523 CG GLN A 40 0.765 -8.391 -1.184 1.00 0.00 C ATOM 524 CD GLN A 40 1.144 -9.859 -1.151 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.294 -10.209 -0.883 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.176 -10.727 -1.422 1.00 0.00 N ATOM 0 H GLN A 40 0.306 -5.114 0.791 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.265 -6.615 -1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.569 -7.924 0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.819 -8.745 0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.211 -8.183 -2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.671 -7.786 -1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.763 -10.393 -1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.371 -11.728 -1.413 1.00 0.00 H new ATOM 535 N ILE A 41 -3.102 -6.386 0.482 1.00 0.00 N ATOM 536 CA ILE A 41 -4.213 -6.217 1.409 1.00 0.00 C ATOM 537 C ILE A 41 -5.212 -7.363 1.285 1.00 0.00 C ATOM 538 O ILE A 41 -5.602 -7.742 0.181 1.00 0.00 O ATOM 539 CB ILE A 41 -4.947 -4.884 1.172 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.530 -4.842 -0.242 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.002 -3.713 1.395 1.00 0.00 C ATOM 542 CD1 ILE A 41 -6.939 -5.388 -0.330 1.00 0.00 C ATOM 0 H ILE A 41 -3.376 -6.447 -0.499 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.788 -6.215 2.413 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.767 -4.806 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.525 -3.812 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.885 -5.413 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.535 -2.778 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.629 -3.736 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.164 -3.785 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.289 -5.327 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.947 -6.428 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.597 -4.802 0.312 1.00 0.00 H new ATOM 554 N GLN A 42 -5.623 -7.909 2.425 1.00 0.00 N ATOM 555 CA GLN A 42 -6.577 -9.011 2.443 1.00 0.00 C ATOM 556 C GLN A 42 -7.993 -8.500 2.687 1.00 0.00 C ATOM 557 O GLN A 42 -8.313 -8.020 3.775 1.00 0.00 O ATOM 558 CB GLN A 42 -6.196 -10.026 3.522 1.00 0.00 C ATOM 559 CG GLN A 42 -6.820 -11.397 3.316 1.00 0.00 C ATOM 560 CD GLN A 42 -6.755 -12.261 4.560 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.707 -12.321 5.338 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.628 -12.936 4.754 1.00 0.00 N ATOM 0 H GLN A 42 -5.310 -7.606 3.347 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.549 -9.499 1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.111 -10.130 3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.500 -9.640 4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.861 -11.277 3.016 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.309 -11.905 2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.864 -12.857 4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.526 -13.534 5.574 1.00 0.00 H new ATOM 571 N VAL A 43 -8.839 -8.607 1.667 1.00 0.00 N ATOM 572 CA VAL A 43 -10.222 -8.157 1.771 1.00 0.00 C ATOM 573 C VAL A 43 -11.139 -9.294 2.207 1.00 0.00 C ATOM 574 O VAL A 43 -10.946 -10.445 1.818 1.00 0.00 O ATOM 575 CB VAL A 43 -10.729 -7.589 0.432 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.116 -6.986 0.598 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.752 -6.557 -0.113 1.00 0.00 C ATOM 0 H VAL A 43 -8.591 -9.001 0.760 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.242 -7.369 2.524 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.798 -8.406 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.457 -6.590 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.808 -7.755 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.077 -6.180 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.126 -6.166 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.649 -5.740 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.780 -7.024 -0.272 1.00 0.00 H new ATOM 587 N ASP A 44 -12.138 -8.962 3.018 1.00 0.00 N ATOM 588 CA ASP A 44 -13.087 -9.956 3.507 1.00 0.00 C ATOM 589 C ASP A 44 -14.340 -9.985 2.638 1.00 0.00 C ATOM 590 O ASP A 44 -14.426 -9.278 1.634 1.00 0.00 O ATOM 591 CB ASP A 44 -13.466 -9.658 4.959 1.00 0.00 C ATOM 592 CG ASP A 44 -14.647 -8.713 5.068 1.00 0.00 C ATOM 593 OD1 ASP A 44 -14.767 -7.813 4.210 1.00 0.00 O ATOM 594 OD2 ASP A 44 -15.450 -8.874 6.010 1.00 0.00 O ATOM 0 H ASP A 44 -12.311 -8.013 3.350 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.609 -10.934 3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.704 -10.592 5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.609 -9.224 5.473 1.00 0.00 H new ATOM 599 N GLU A 45 -15.308 -10.807 3.030 1.00 0.00 N ATOM 600 CA GLU A 45 -16.555 -10.929 2.284 1.00 0.00 C ATOM 601 C GLU A 45 -17.279 -9.588 2.212 1.00 0.00 C ATOM 602 O GLU A 45 -17.923 -9.270 1.212 1.00 0.00 O ATOM 603 CB GLU A 45 -17.462 -11.977 2.932 1.00 0.00 C ATOM 604 CG GLU A 45 -18.020 -11.550 4.279 1.00 0.00 C ATOM 605 CD GLU A 45 -19.114 -12.474 4.777 1.00 0.00 C ATOM 606 OE1 GLU A 45 -18.800 -13.633 5.122 1.00 0.00 O ATOM 607 OE2 GLU A 45 -20.284 -12.039 4.822 1.00 0.00 O ATOM 0 H GLU A 45 -15.253 -11.398 3.859 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.313 -11.246 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.290 -12.195 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.901 -12.903 3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.212 -11.522 5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.414 -10.537 4.200 1.00 0.00 H new ATOM 614 N LYS A 46 -17.169 -8.805 3.279 1.00 0.00 N ATOM 615 CA LYS A 46 -17.812 -7.498 3.339 1.00 0.00 C ATOM 616 C LYS A 46 -17.125 -6.510 2.402 1.00 0.00 C ATOM 617 O LYS A 46 -17.729 -5.532 1.963 1.00 0.00 O ATOM 618 CB LYS A 46 -17.786 -6.959 4.772 1.00 0.00 C ATOM 619 CG LYS A 46 -18.528 -7.837 5.765 1.00 0.00 C ATOM 620 CD LYS A 46 -19.113 -7.019 6.904 1.00 0.00 C ATOM 621 CE LYS A 46 -20.224 -7.774 7.619 1.00 0.00 C ATOM 622 NZ LYS A 46 -21.119 -6.856 8.376 1.00 0.00 N ATOM 0 H LYS A 46 -16.640 -9.053 4.115 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.847 -7.616 3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.750 -6.856 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.224 -5.961 4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.327 -8.372 5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.848 -8.588 6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.326 -6.768 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.503 -6.078 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.810 -8.334 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.787 -8.501 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.863 -7.408 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.564 -6.340 9.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.556 -6.178 7.720 1.00 0.00 H new ATOM 636 N GLY A 47 -15.857 -6.774 2.097 1.00 0.00 N ATOM 637 CA GLY A 47 -15.110 -5.900 1.212 1.00 0.00 C ATOM 638 C GLY A 47 -14.267 -4.892 1.968 1.00 0.00 C ATOM 639 O GLY A 47 -13.906 -3.845 1.430 1.00 0.00 O ATOM 0 H GLY A 47 -15.335 -7.577 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.464 -6.502 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.804 -5.371 0.558 1.00 0.00 H new ATOM 643 N LYS A 48 -13.953 -5.207 3.220 1.00 0.00 N ATOM 644 CA LYS A 48 -13.147 -4.322 4.053 1.00 0.00 C ATOM 645 C LYS A 48 -11.764 -4.917 4.299 1.00 0.00 C ATOM 646 O LYS A 48 -11.629 -6.115 4.547 1.00 0.00 O ATOM 647 CB LYS A 48 -13.849 -4.066 5.388 1.00 0.00 C ATOM 648 CG LYS A 48 -13.117 -3.079 6.280 1.00 0.00 C ATOM 649 CD LYS A 48 -12.111 -3.779 7.178 1.00 0.00 C ATOM 650 CE LYS A 48 -12.766 -4.302 8.447 1.00 0.00 C ATOM 651 NZ LYS A 48 -12.881 -3.243 9.489 1.00 0.00 N ATOM 0 H LYS A 48 -14.245 -6.069 3.680 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.027 -3.376 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.854 -3.692 5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.958 -5.012 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.604 -2.341 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.838 -2.537 6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.652 -4.606 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.311 -3.086 7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.757 -4.689 8.211 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.184 -5.136 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.263 -3.478 10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.594 -2.328 9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.866 -3.183 9.816 1.00 0.00 H new ATOM 665 N ILE A 49 -10.741 -4.072 4.231 1.00 0.00 N ATOM 666 CA ILE A 49 -9.370 -4.514 4.450 1.00 0.00 C ATOM 667 C ILE A 49 -9.145 -4.909 5.906 1.00 0.00 C ATOM 668 O ILE A 49 -9.224 -4.073 6.806 1.00 0.00 O ATOM 669 CB ILE A 49 -8.357 -3.420 4.064 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.354 -3.209 2.549 1.00 0.00 C ATOM 671 CG2 ILE A 49 -6.965 -3.790 4.556 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.000 -1.797 2.136 1.00 0.00 C ATOM 0 H ILE A 49 -10.836 -3.077 4.026 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.214 -5.384 3.812 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.653 -2.486 4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.644 -3.900 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.339 -3.458 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.260 -3.007 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.978 -3.895 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.658 -4.733 4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.017 -1.721 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.724 -1.101 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.003 -1.550 2.501 1.00 0.00 H new ATOM 684 N VAL A 50 -8.862 -6.188 6.130 1.00 0.00 N ATOM 685 CA VAL A 50 -8.622 -6.694 7.476 1.00 0.00 C ATOM 686 C VAL A 50 -7.129 -6.813 7.761 1.00 0.00 C ATOM 687 O VAL A 50 -6.684 -6.610 8.890 1.00 0.00 O ATOM 688 CB VAL A 50 -9.285 -8.068 7.686 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.800 -7.938 7.667 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.813 -9.054 6.628 1.00 0.00 C ATOM 0 H VAL A 50 -8.793 -6.893 5.396 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.064 -5.976 8.167 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.989 -8.449 8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.251 -8.919 7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.118 -7.267 8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.119 -7.535 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.291 -10.020 6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.078 -8.681 5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.731 -9.169 6.695 1.00 0.00 H new ATOM 700 N ASP A 51 -6.361 -7.143 6.729 1.00 0.00 N ATOM 701 CA ASP A 51 -4.916 -7.288 6.867 1.00 0.00 C ATOM 702 C ASP A 51 -4.185 -6.501 5.783 1.00 0.00 C ATOM 703 O ASP A 51 -4.692 -6.333 4.675 1.00 0.00 O ATOM 704 CB ASP A 51 -4.521 -8.764 6.796 1.00 0.00 C ATOM 705 CG ASP A 51 -5.114 -9.576 7.930 1.00 0.00 C ATOM 706 OD1 ASP A 51 -5.387 -8.992 8.999 1.00 0.00 O ATOM 707 OD2 ASP A 51 -5.305 -10.797 7.749 1.00 0.00 O ATOM 0 H ASP A 51 -6.714 -7.315 5.788 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.627 -6.889 7.839 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.850 -9.180 5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.435 -8.848 6.822 1.00 0.00 H new ATOM 712 N ALA A 52 -2.991 -6.019 6.113 1.00 0.00 N ATOM 713 CA ALA A 52 -2.190 -5.251 5.168 1.00 0.00 C ATOM 714 C ALA A 52 -0.700 -5.418 5.448 1.00 0.00 C ATOM 715 O ALA A 52 -0.267 -5.376 6.600 1.00 0.00 O ATOM 716 CB ALA A 52 -2.577 -3.781 5.222 1.00 0.00 C ATOM 0 H ALA A 52 -2.557 -6.147 7.027 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.390 -5.632 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.971 -3.219 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.631 -3.673 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.407 -3.397 6.228 1.00 0.00 H new ATOM 722 N ARG A 53 0.079 -5.608 4.389 1.00 0.00 N ATOM 723 CA ARG A 53 1.520 -5.784 4.521 1.00 0.00 C ATOM 724 C ARG A 53 2.272 -4.822 3.606 1.00 0.00 C ATOM 725 O ARG A 53 1.909 -4.644 2.443 1.00 0.00 O ATOM 726 CB ARG A 53 1.912 -7.226 4.195 1.00 0.00 C ATOM 727 CG ARG A 53 1.099 -8.264 4.952 1.00 0.00 C ATOM 728 CD ARG A 53 1.410 -8.237 6.440 1.00 0.00 C ATOM 729 NE ARG A 53 0.326 -8.808 7.236 1.00 0.00 N ATOM 730 CZ ARG A 53 0.183 -10.111 7.455 1.00 0.00 C ATOM 731 NH1 ARG A 53 1.050 -10.972 6.941 1.00 0.00 N ATOM 732 NH2 ARG A 53 -0.830 -10.554 8.189 1.00 0.00 N ATOM 0 H ARG A 53 -0.264 -5.644 3.429 1.00 0.00 H new ATOM 0 HA ARG A 53 1.794 -5.565 5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.792 -7.393 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.968 -7.367 4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.036 -8.079 4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.311 -9.256 4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.329 -8.792 6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.588 -7.209 6.755 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.358 -8.172 7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.829 -10.635 6.376 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.938 -11.971 7.111 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.499 -9.894 8.585 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.939 -11.554 8.357 1.00 0.00 H new ATOM 746 N PHE A 54 3.320 -4.203 4.139 1.00 0.00 N ATOM 747 CA PHE A 54 4.122 -3.258 3.371 1.00 0.00 C ATOM 748 C PHE A 54 5.580 -3.702 3.314 1.00 0.00 C ATOM 749 O PHE A 54 6.207 -3.949 4.345 1.00 0.00 O ATOM 750 CB PHE A 54 4.027 -1.859 3.984 1.00 0.00 C ATOM 751 CG PHE A 54 5.078 -1.587 5.022 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.860 -1.915 6.351 1.00 0.00 C ATOM 753 CD2 PHE A 54 6.283 -1.003 4.669 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.825 -1.666 7.308 1.00 0.00 C ATOM 755 CE2 PHE A 54 7.253 -0.752 5.622 1.00 0.00 C ATOM 756 CZ PHE A 54 7.023 -1.083 6.944 1.00 0.00 C ATOM 0 H PHE A 54 3.634 -4.339 5.100 1.00 0.00 H new ATOM 0 HA PHE A 54 3.729 -3.229 2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.111 -1.117 3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.042 -1.734 4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.925 -2.371 6.642 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.467 -0.741 3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.643 -1.927 8.340 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.189 -0.298 5.334 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.778 -0.886 7.691 1.00 0.00 H new ATOM 766 N LYS A 55 6.115 -3.803 2.102 1.00 0.00 N ATOM 767 CA LYS A 55 7.500 -4.217 1.908 1.00 0.00 C ATOM 768 C LYS A 55 8.202 -3.311 0.902 1.00 0.00 C ATOM 769 O LYS A 55 8.079 -3.496 -0.309 1.00 0.00 O ATOM 770 CB LYS A 55 7.557 -5.669 1.429 1.00 0.00 C ATOM 771 CG LYS A 55 8.901 -6.335 1.667 1.00 0.00 C ATOM 772 CD LYS A 55 9.279 -6.319 3.139 1.00 0.00 C ATOM 773 CE LYS A 55 10.467 -7.227 3.419 1.00 0.00 C ATOM 774 NZ LYS A 55 10.112 -8.666 3.275 1.00 0.00 N ATOM 0 H LYS A 55 5.610 -3.604 1.238 1.00 0.00 H new ATOM 0 HA LYS A 55 8.015 -4.136 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.782 -6.242 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.329 -5.701 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.866 -7.365 1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.669 -5.823 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.519 -5.300 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.426 -6.638 3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.280 -6.983 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.835 -7.043 4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.844 -9.251 3.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.195 -8.845 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.049 -8.909 2.266 1.00 0.00 H new ATOM 788 N THR A 56 8.942 -2.330 1.411 1.00 0.00 N ATOM 789 CA THR A 56 9.665 -1.396 0.557 1.00 0.00 C ATOM 790 C THR A 56 11.146 -1.749 0.485 1.00 0.00 C ATOM 791 O THR A 56 11.734 -2.205 1.467 1.00 0.00 O ATOM 792 CB THR A 56 9.518 0.053 1.060 1.00 0.00 C ATOM 793 OG1 THR A 56 8.147 0.328 1.369 1.00 0.00 O ATOM 794 CG2 THR A 56 10.016 1.041 0.015 1.00 0.00 C ATOM 0 H THR A 56 9.056 -2.162 2.411 1.00 0.00 H new ATOM 0 HA THR A 56 9.228 -1.474 -0.438 1.00 0.00 H new ATOM 0 HB THR A 56 10.122 0.165 1.960 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.907 1.216 1.032 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.902 2.057 0.392 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.068 0.848 -0.196 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.435 0.926 -0.900 1.00 0.00 H new ATOM 802 N PHE A 57 11.744 -1.537 -0.682 1.00 0.00 N ATOM 803 CA PHE A 57 13.158 -1.834 -0.882 1.00 0.00 C ATOM 804 C PHE A 57 13.862 -0.679 -1.588 1.00 0.00 C ATOM 805 O PHE A 57 13.663 -0.452 -2.781 1.00 0.00 O ATOM 806 CB PHE A 57 13.321 -3.119 -1.695 1.00 0.00 C ATOM 807 CG PHE A 57 12.750 -4.333 -1.019 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.264 -4.776 0.189 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.699 -5.030 -1.592 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.740 -5.892 0.814 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.170 -6.147 -0.971 1.00 0.00 C ATOM 812 CZ PHE A 57 11.693 -6.579 0.232 1.00 0.00 C ATOM 0 H PHE A 57 11.272 -1.161 -1.504 1.00 0.00 H new ATOM 0 HA PHE A 57 13.617 -1.971 0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.837 -2.991 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.381 -3.285 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.084 -4.243 0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.288 -4.698 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.149 -6.226 1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.349 -6.681 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.284 -7.453 0.717 1.00 0.00 H new ATOM 822 N GLY A 58 14.686 0.050 -0.841 1.00 0.00 N ATOM 823 CA GLY A 58 15.407 1.173 -1.412 1.00 0.00 C ATOM 824 C GLY A 58 15.592 2.307 -0.422 1.00 0.00 C ATOM 825 O GLY A 58 16.006 2.085 0.716 1.00 0.00 O ATOM 0 H GLY A 58 14.867 -0.117 0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.383 0.835 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.868 1.541 -2.285 1.00 0.00 H new ATOM 829 N CYS A 59 15.285 3.525 -0.856 1.00 0.00 N ATOM 830 CA CYS A 59 15.422 4.698 -0.002 1.00 0.00 C ATOM 831 C CYS A 59 14.343 4.714 1.077 1.00 0.00 C ATOM 832 O CYS A 59 13.218 4.270 0.852 1.00 0.00 O ATOM 833 CB CYS A 59 15.341 5.976 -0.838 1.00 0.00 C ATOM 834 SG CYS A 59 13.642 6.551 -1.155 1.00 0.00 S ATOM 0 H CYS A 59 14.940 3.725 -1.795 1.00 0.00 H new ATOM 0 HA CYS A 59 16.397 4.651 0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.891 6.767 -0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.839 5.805 -1.792 1.00 0.00 H new ATOM 0 HG CYS A 59 13.115 5.842 -2.108 1.00 0.00 H new ATOM 839 N GLY A 60 14.695 5.229 2.251 1.00 0.00 N ATOM 840 CA GLY A 60 13.747 5.294 3.348 1.00 0.00 C ATOM 841 C GLY A 60 12.461 5.997 2.961 1.00 0.00 C ATOM 842 O GLY A 60 11.368 5.483 3.200 1.00 0.00 O ATOM 0 H GLY A 60 15.620 5.603 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.518 4.284 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.204 5.816 4.189 1.00 0.00 H new ATOM 846 N SER A 61 12.590 7.177 2.363 1.00 0.00 N ATOM 847 CA SER A 61 11.429 7.955 1.948 1.00 0.00 C ATOM 848 C SER A 61 10.301 7.040 1.479 1.00 0.00 C ATOM 849 O SER A 61 9.123 7.352 1.647 1.00 0.00 O ATOM 850 CB SER A 61 11.812 8.925 0.828 1.00 0.00 C ATOM 851 OG SER A 61 12.833 9.812 1.250 1.00 0.00 O ATOM 0 H SER A 61 13.487 7.615 2.155 1.00 0.00 H new ATOM 0 HA SER A 61 11.078 8.525 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.150 8.364 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.935 9.495 0.520 1.00 0.00 H new ATOM 0 HG SER A 61 13.698 9.499 0.912 1.00 0.00 H new ATOM 857 N ALA A 62 10.673 5.908 0.890 1.00 0.00 N ATOM 858 CA ALA A 62 9.694 4.946 0.399 1.00 0.00 C ATOM 859 C ALA A 62 9.187 4.054 1.527 1.00 0.00 C ATOM 860 O ALA A 62 7.983 3.837 1.665 1.00 0.00 O ATOM 861 CB ALA A 62 10.297 4.101 -0.714 1.00 0.00 C ATOM 0 H ALA A 62 11.644 5.635 0.741 1.00 0.00 H new ATOM 0 HA ALA A 62 8.845 5.501 0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.555 3.387 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.604 4.748 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.165 3.563 -0.333 1.00 0.00 H new ATOM 867 N ILE A 63 10.113 3.539 2.329 1.00 0.00 N ATOM 868 CA ILE A 63 9.758 2.671 3.445 1.00 0.00 C ATOM 869 C ILE A 63 8.734 3.338 4.357 1.00 0.00 C ATOM 870 O ILE A 63 7.765 2.709 4.784 1.00 0.00 O ATOM 871 CB ILE A 63 10.997 2.289 4.277 1.00 0.00 C ATOM 872 CG1 ILE A 63 11.923 1.380 3.465 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.577 1.606 5.570 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.304 1.236 4.064 1.00 0.00 C ATOM 0 H ILE A 63 11.114 3.708 2.227 1.00 0.00 H new ATOM 0 HA ILE A 63 9.325 1.767 3.016 1.00 0.00 H new ATOM 0 HB ILE A 63 11.541 3.199 4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.468 0.393 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.014 1.777 2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.464 1.342 6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.953 2.283 6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.013 0.703 5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 63 13.906 0.579 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.779 2.215 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.224 0.810 5.064 1.00 0.00 H new ATOM 886 N ALA A 64 8.953 4.615 4.649 1.00 0.00 N ATOM 887 CA ALA A 64 8.047 5.369 5.507 1.00 0.00 C ATOM 888 C ALA A 64 6.680 5.534 4.851 1.00 0.00 C ATOM 889 O ALA A 64 5.695 4.940 5.289 1.00 0.00 O ATOM 890 CB ALA A 64 8.643 6.729 5.838 1.00 0.00 C ATOM 0 H ALA A 64 9.750 5.150 4.304 1.00 0.00 H new ATOM 0 HA ALA A 64 7.912 4.809 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.956 7.281 6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.593 6.594 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.808 7.288 4.917 1.00 0.00 H new ATOM 896 N SER A 65 6.628 6.345 3.800 1.00 0.00 N ATOM 897 CA SER A 65 5.380 6.592 3.086 1.00 0.00 C ATOM 898 C SER A 65 4.533 5.325 3.018 1.00 0.00 C ATOM 899 O SER A 65 3.313 5.371 3.172 1.00 0.00 O ATOM 900 CB SER A 65 5.668 7.102 1.673 1.00 0.00 C ATOM 901 OG SER A 65 5.739 8.518 1.647 1.00 0.00 O ATOM 0 H SER A 65 7.435 6.842 3.424 1.00 0.00 H new ATOM 0 HA SER A 65 4.822 7.353 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.608 6.681 1.315 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.887 6.761 0.994 1.00 0.00 H new ATOM 0 HG SER A 65 5.926 8.819 0.733 1.00 0.00 H new ATOM 907 N SER A 66 5.191 4.193 2.787 1.00 0.00 N ATOM 908 CA SER A 66 4.500 2.912 2.695 1.00 0.00 C ATOM 909 C SER A 66 3.923 2.508 4.048 1.00 0.00 C ATOM 910 O SER A 66 2.706 2.459 4.227 1.00 0.00 O ATOM 911 CB SER A 66 5.455 1.828 2.190 1.00 0.00 C ATOM 912 OG SER A 66 6.175 2.273 1.054 1.00 0.00 O ATOM 0 H SER A 66 6.202 4.137 2.660 1.00 0.00 H new ATOM 0 HA SER A 66 3.678 3.020 1.987 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.152 1.555 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.891 0.930 1.938 1.00 0.00 H new ATOM 0 HG SER A 66 6.920 2.841 1.341 1.00 0.00 H new ATOM 918 N SER A 67 4.806 2.218 4.998 1.00 0.00 N ATOM 919 CA SER A 67 4.386 1.813 6.335 1.00 0.00 C ATOM 920 C SER A 67 3.155 2.598 6.778 1.00 0.00 C ATOM 921 O SER A 67 2.187 2.026 7.281 1.00 0.00 O ATOM 922 CB SER A 67 5.525 2.021 7.335 1.00 0.00 C ATOM 923 OG SER A 67 5.167 1.545 8.621 1.00 0.00 O ATOM 0 H SER A 67 5.817 2.256 4.867 1.00 0.00 H new ATOM 0 HA SER A 67 4.129 0.754 6.304 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.418 1.502 6.987 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.774 3.081 7.392 1.00 0.00 H new ATOM 0 HG SER A 67 5.268 0.571 8.649 1.00 0.00 H new ATOM 929 N LEU A 68 3.199 3.912 6.588 1.00 0.00 N ATOM 930 CA LEU A 68 2.088 4.778 6.968 1.00 0.00 C ATOM 931 C LEU A 68 0.846 4.464 6.140 1.00 0.00 C ATOM 932 O LEU A 68 -0.274 4.494 6.648 1.00 0.00 O ATOM 933 CB LEU A 68 2.476 6.246 6.789 1.00 0.00 C ATOM 934 CG LEU A 68 1.320 7.246 6.745 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.757 8.593 7.299 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.798 7.395 5.323 1.00 0.00 C ATOM 0 H LEU A 68 3.992 4.401 6.173 1.00 0.00 H new ATOM 0 HA LEU A 68 1.859 4.595 8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.142 6.527 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.047 6.340 5.865 1.00 0.00 H new ATOM 0 HG LEU A 68 0.512 6.865 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.921 9.291 7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.081 8.473 8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.583 8.981 6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.024 8.110 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.600 7.752 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.444 6.429 4.962 1.00 0.00 H new ATOM 948 N ALA A 69 1.053 4.161 4.863 1.00 0.00 N ATOM 949 CA ALA A 69 -0.049 3.837 3.966 1.00 0.00 C ATOM 950 C ALA A 69 -0.701 2.513 4.352 1.00 0.00 C ATOM 951 O ALA A 69 -1.888 2.464 4.676 1.00 0.00 O ATOM 952 CB ALA A 69 0.440 3.786 2.526 1.00 0.00 C ATOM 0 H ALA A 69 1.974 4.133 4.426 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.800 4.622 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.394 3.543 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.852 4.756 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.212 3.023 2.431 1.00 0.00 H new ATOM 958 N THR A 70 0.083 1.440 4.316 1.00 0.00 N ATOM 959 CA THR A 70 -0.418 0.116 4.660 1.00 0.00 C ATOM 960 C THR A 70 -1.172 0.140 5.985 1.00 0.00 C ATOM 961 O THR A 70 -2.032 -0.703 6.235 1.00 0.00 O ATOM 962 CB THR A 70 0.726 -0.911 4.753 1.00 0.00 C ATOM 963 OG1 THR A 70 0.203 -2.239 4.633 1.00 0.00 O ATOM 964 CG2 THR A 70 1.473 -0.772 6.071 1.00 0.00 C ATOM 0 H THR A 70 1.068 1.463 4.052 1.00 0.00 H new ATOM 0 HA THR A 70 -1.099 -0.181 3.862 1.00 0.00 H new ATOM 0 HB THR A 70 1.423 -0.720 3.937 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.848 -2.879 5.000 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.276 -1.508 6.113 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.895 0.230 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.784 -0.939 6.899 1.00 0.00 H new ATOM 972 N GLU A 71 -0.844 1.113 6.829 1.00 0.00 N ATOM 973 CA GLU A 71 -1.491 1.246 8.129 1.00 0.00 C ATOM 974 C GLU A 71 -2.807 2.009 8.006 1.00 0.00 C ATOM 975 O GLU A 71 -3.724 1.819 8.804 1.00 0.00 O ATOM 976 CB GLU A 71 -0.565 1.962 9.114 1.00 0.00 C ATOM 977 CG GLU A 71 -1.215 2.260 10.455 1.00 0.00 C ATOM 978 CD GLU A 71 -0.202 2.436 11.569 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.916 1.893 11.444 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.526 3.115 12.565 1.00 0.00 O ATOM 0 H GLU A 71 -0.135 1.820 6.636 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.704 0.245 8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.321 1.349 9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.227 2.897 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.816 3.165 10.370 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.895 1.448 10.713 1.00 0.00 H new ATOM 987 N TRP A 72 -2.891 2.873 7.000 1.00 0.00 N ATOM 988 CA TRP A 72 -4.094 3.666 6.772 1.00 0.00 C ATOM 989 C TRP A 72 -5.196 2.815 6.151 1.00 0.00 C ATOM 990 O TRP A 72 -6.376 2.991 6.457 1.00 0.00 O ATOM 991 CB TRP A 72 -3.780 4.857 5.866 1.00 0.00 C ATOM 992 CG TRP A 72 -3.227 6.037 6.606 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.915 6.099 7.934 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.924 7.326 6.061 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.436 7.348 8.247 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.430 8.119 7.115 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.019 7.886 4.784 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -2.036 9.441 6.930 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.628 9.199 4.602 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -2.140 9.964 5.670 1.00 0.00 C ATOM 0 H TRP A 72 -2.141 3.042 6.330 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.445 4.035 7.736 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.064 4.547 5.105 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.689 5.157 5.345 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -3.028 5.286 8.635 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.134 7.652 9.173 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.391 7.303 3.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.661 10.033 7.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.700 9.643 3.620 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.840 10.987 5.495 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.806 1.893 5.278 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.762 1.014 4.615 1.00 0.00 C ATOM 1013 C VAL A 73 -6.422 0.068 5.612 1.00 0.00 C ATOM 1014 O VAL A 73 -7.541 -0.397 5.396 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.086 0.184 3.507 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.431 1.096 2.481 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.070 -0.776 4.105 1.00 0.00 C ATOM 0 H VAL A 73 -3.834 1.735 5.013 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.523 1.654 4.167 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.851 -0.403 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.959 0.492 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.187 1.738 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.677 1.712 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.602 -1.354 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.306 -0.211 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.572 -1.452 4.797 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.722 -0.211 6.706 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.240 -1.100 7.740 1.00 0.00 C ATOM 1029 C LYS A 74 -7.508 -0.528 8.364 1.00 0.00 C ATOM 1030 O LYS A 74 -7.552 0.643 8.741 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.183 -1.327 8.822 1.00 0.00 C ATOM 1032 CG LYS A 74 -4.002 -2.161 8.355 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.986 -2.361 9.466 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.630 -2.775 8.914 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.574 -2.754 9.963 1.00 0.00 N ATOM 0 H LYS A 74 -4.794 0.166 6.900 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.485 -2.055 7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.819 -0.361 9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.649 -1.819 9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.356 -3.131 8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.523 -1.672 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.882 -1.437 10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.347 -3.123 10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.701 -3.777 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.348 -2.105 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.335 -3.042 9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.488 -1.792 10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.830 -3.413 10.726 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.538 -1.362 8.472 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.792 -0.920 9.054 1.00 0.00 C ATOM 1051 C GLY A 75 -10.706 -0.269 8.035 1.00 0.00 C ATOM 1052 O GLY A 75 -11.923 -0.232 8.215 1.00 0.00 O ATOM 0 H GLY A 75 -8.526 -2.335 8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.302 -1.773 9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.587 -0.213 9.858 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.118 0.249 6.961 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.887 0.903 5.909 1.00 0.00 C ATOM 1058 C LYS A 76 -11.284 -0.094 4.825 1.00 0.00 C ATOM 1059 O LYS A 76 -10.861 -1.250 4.845 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.076 2.046 5.293 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.834 3.203 6.246 1.00 0.00 C ATOM 1062 CD LYS A 76 -9.100 4.345 5.563 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.431 5.684 6.205 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.217 5.660 7.678 1.00 0.00 N ATOM 0 H LYS A 76 -9.112 0.228 6.797 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.795 1.308 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.115 1.658 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.598 2.416 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.788 3.562 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.254 2.856 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.025 4.171 5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.368 4.371 4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.811 6.463 5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.469 5.942 5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.254 6.630 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.960 5.088 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.287 5.245 7.887 1.00 0.00 H new ATOM 1078 N THR A 77 -12.099 0.361 3.878 1.00 0.00 N ATOM 1079 CA THR A 77 -12.553 -0.491 2.786 1.00 0.00 C ATOM 1080 C THR A 77 -11.818 -0.164 1.492 1.00 0.00 C ATOM 1081 O THR A 77 -11.155 0.869 1.386 1.00 0.00 O ATOM 1082 CB THR A 77 -14.069 -0.345 2.553 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.394 1.024 2.288 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.851 -0.833 3.763 1.00 0.00 C ATOM 0 H THR A 77 -12.458 1.315 3.846 1.00 0.00 H new ATOM 0 HA THR A 77 -12.334 -1.519 3.075 1.00 0.00 H new ATOM 0 HB THR A 77 -14.343 -0.956 1.693 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.359 1.108 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.919 -0.720 3.576 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.623 -1.883 3.944 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.572 -0.245 4.638 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.939 -1.049 0.508 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.287 -0.853 -0.782 1.00 0.00 C ATOM 1094 C VAL A 78 -11.698 0.474 -1.409 1.00 0.00 C ATOM 1095 O VAL A 78 -10.920 1.096 -2.132 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.622 -1.996 -1.759 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.067 -3.316 -1.247 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.125 -2.088 -1.976 1.00 0.00 C ATOM 0 H VAL A 78 -12.483 -1.909 0.579 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.213 -0.846 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.152 -1.780 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.313 -4.112 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.984 -3.242 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.505 -3.542 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.344 -2.901 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.619 -2.280 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.491 -1.149 -2.391 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.924 0.902 -1.127 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.438 2.156 -1.665 1.00 0.00 C ATOM 1110 C GLU A 79 -12.741 3.350 -1.019 1.00 0.00 C ATOM 1111 O GLU A 79 -12.413 4.328 -1.691 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.949 2.252 -1.442 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.727 1.094 -2.044 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.151 1.017 -1.528 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.808 2.075 -1.438 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.607 -0.102 -1.214 1.00 0.00 O ATOM 0 H GLU A 79 -13.580 0.399 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.235 2.173 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.148 2.295 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.313 3.186 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.743 1.197 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.212 0.160 -1.820 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.519 3.263 0.289 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.863 4.337 1.025 1.00 0.00 C ATOM 1125 C GLU A 80 -10.425 4.523 0.549 1.00 0.00 C ATOM 1126 O GLU A 80 -9.986 5.643 0.292 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.881 4.042 2.526 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.278 3.848 3.092 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.039 5.153 3.225 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.509 6.088 3.860 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -15.166 5.239 2.693 1.00 0.00 O ATOM 0 H GLU A 80 -12.784 2.460 0.860 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.412 5.260 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.292 3.145 2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.395 4.862 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.837 3.170 2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.207 3.372 4.070 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.698 3.417 0.436 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.311 3.457 -0.010 1.00 0.00 C ATOM 1140 C ALA A 81 -8.188 4.152 -1.362 1.00 0.00 C ATOM 1141 O ALA A 81 -7.280 4.955 -1.579 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.739 2.049 -0.084 1.00 0.00 C ATOM 0 H ALA A 81 -10.046 2.482 0.647 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.738 4.032 0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.703 2.094 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.782 1.586 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.322 1.456 -0.789 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.107 3.837 -2.269 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.101 4.431 -3.601 1.00 0.00 C ATOM 1150 C LEU A 82 -9.150 5.953 -3.519 1.00 0.00 C ATOM 1151 O LEU A 82 -8.693 6.650 -4.426 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.289 3.915 -4.416 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.025 2.681 -5.280 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.934 2.969 -6.301 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.644 1.492 -4.410 1.00 0.00 C ATOM 0 H LEU A 82 -9.865 3.174 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.174 4.142 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.103 3.685 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.637 4.720 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.941 2.433 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.759 2.080 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.246 3.791 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.014 3.242 -5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.460 0.623 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.742 1.728 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.457 1.272 -3.718 1.00 0.00 H new ATOM 1167 N THR A 83 -9.704 6.465 -2.424 1.00 0.00 N ATOM 1168 CA THR A 83 -9.811 7.904 -2.222 1.00 0.00 C ATOM 1169 C THR A 83 -8.515 8.479 -1.663 1.00 0.00 C ATOM 1170 O THR A 83 -8.218 9.659 -1.848 1.00 0.00 O ATOM 1171 CB THR A 83 -10.968 8.253 -1.268 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.547 8.091 0.092 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.177 7.370 -1.538 1.00 0.00 C ATOM 0 H THR A 83 -10.086 5.903 -1.663 1.00 0.00 H new ATOM 0 HA THR A 83 -10.009 8.346 -3.198 1.00 0.00 H new ATOM 0 HB THR A 83 -11.251 9.292 -1.440 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.556 7.139 0.326 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.982 7.635 -0.852 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.513 7.517 -2.565 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.904 6.325 -1.391 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.746 7.637 -0.980 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.480 8.062 -0.395 1.00 0.00 C ATOM 1183 C ILE A 84 -5.577 8.700 -1.445 1.00 0.00 C ATOM 1184 O ILE A 84 -5.175 8.052 -2.411 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.737 6.881 0.257 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.512 6.370 1.473 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.329 7.298 0.656 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.888 5.154 2.120 1.00 0.00 C ATOM 0 H ILE A 84 -7.978 6.657 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.718 8.799 0.372 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.664 6.071 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.581 7.169 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.530 6.127 1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.816 6.453 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.780 7.618 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.381 8.122 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.491 4.847 2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.843 4.340 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.880 5.397 2.455 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.259 9.975 -1.248 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.400 10.702 -2.175 1.00 0.00 C ATOM 1202 C LYS A 85 -2.966 10.759 -1.657 1.00 0.00 C ATOM 1203 O LYS A 85 -2.734 10.809 -0.450 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.932 12.121 -2.390 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.353 12.163 -2.926 1.00 0.00 C ATOM 1206 CD LYS A 85 -7.098 13.393 -2.435 1.00 0.00 C ATOM 1207 CE LYS A 85 -7.809 13.125 -1.117 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.991 14.012 -0.934 1.00 0.00 N ATOM 0 H LYS A 85 -5.584 10.527 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.404 10.171 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.893 12.662 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.275 12.645 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.332 12.160 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.887 11.265 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.397 14.218 -2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.825 13.703 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.128 12.083 -1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.112 13.273 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.448 13.798 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.684 15.006 -0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.668 13.852 -1.707 1.00 0.00 H new ATOM 1222 N ASN A 86 -2.009 10.752 -2.579 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.597 10.803 -2.215 1.00 0.00 C ATOM 1224 C ASN A 86 -0.258 12.128 -1.539 1.00 0.00 C ATOM 1225 O ASN A 86 0.502 12.168 -0.571 1.00 0.00 O ATOM 1226 CB ASN A 86 0.278 10.612 -3.456 1.00 0.00 C ATOM 1227 CG ASN A 86 0.554 11.918 -4.175 1.00 0.00 C ATOM 1228 OD1 ASN A 86 1.232 12.799 -3.646 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.029 12.048 -5.388 1.00 0.00 N ATOM 0 H ASN A 86 -2.185 10.712 -3.583 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.399 9.995 -1.511 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.223 10.154 -3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.213 9.920 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.181 12.904 -5.921 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.527 11.291 -5.787 1.00 0.00 H new ATOM 1236 N THR A 87 -0.828 13.213 -2.055 1.00 0.00 N ATOM 1237 CA THR A 87 -0.586 14.540 -1.503 1.00 0.00 C ATOM 1238 C THR A 87 -0.606 14.513 0.021 1.00 0.00 C ATOM 1239 O THR A 87 0.313 15.010 0.673 1.00 0.00 O ATOM 1240 CB THR A 87 -1.632 15.555 -2.001 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.947 15.122 -1.635 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.548 15.721 -3.511 1.00 0.00 C ATOM 0 H THR A 87 -1.461 13.198 -2.855 1.00 0.00 H new ATOM 0 HA THR A 87 0.401 14.850 -1.845 1.00 0.00 H new ATOM 0 HB THR A 87 -1.424 16.518 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.606 15.773 -1.954 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.296 16.442 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.555 16.078 -3.783 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.733 14.761 -3.993 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.658 13.929 0.584 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.797 13.835 2.032 1.00 0.00 C ATOM 1252 C ASP A 88 -0.627 13.070 2.642 1.00 0.00 C ATOM 1253 O ASP A 88 -0.043 13.499 3.638 1.00 0.00 O ATOM 1254 CB ASP A 88 -3.115 13.151 2.397 1.00 0.00 C ATOM 1255 CG ASP A 88 -3.662 13.620 3.731 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -3.811 14.847 3.912 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -3.940 12.761 4.594 1.00 0.00 O ATOM 0 H ASP A 88 -2.427 13.513 0.059 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.798 14.847 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.851 13.347 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.964 12.072 2.429 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.290 11.935 2.039 1.00 0.00 N ATOM 1263 CA ILE A 89 0.810 11.110 2.523 1.00 0.00 C ATOM 1264 C ILE A 89 2.090 11.927 2.661 1.00 0.00 C ATOM 1265 O ILE A 89 2.565 12.173 3.769 1.00 0.00 O ATOM 1266 CB ILE A 89 1.074 9.917 1.585 1.00 0.00 C ATOM 1267 CG1 ILE A 89 -0.134 8.978 1.566 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.326 9.170 2.018 1.00 0.00 C ATOM 1269 CD1 ILE A 89 -0.044 7.900 0.508 1.00 0.00 C ATOM 0 H ILE A 89 -0.763 11.566 1.214 1.00 0.00 H new ATOM 0 HA ILE A 89 0.515 10.733 3.502 1.00 0.00 H new ATOM 0 HB ILE A 89 1.232 10.296 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.234 8.508 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.038 9.565 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.499 8.330 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.182 9.844 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.195 8.800 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.934 7.272 0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.025 8.362 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.841 7.289 0.685 1.00 0.00 H new ATOM 1281 N ALA A 90 2.643 12.346 1.528 1.00 0.00 N ATOM 1282 CA ALA A 90 3.866 13.139 1.522 1.00 0.00 C ATOM 1283 C ALA A 90 3.929 14.060 2.736 1.00 0.00 C ATOM 1284 O ALA A 90 4.986 14.235 3.342 1.00 0.00 O ATOM 1285 CB ALA A 90 3.964 13.949 0.237 1.00 0.00 C ATOM 0 H ALA A 90 2.263 12.149 0.602 1.00 0.00 H new ATOM 0 HA ALA A 90 4.713 12.455 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.882 14.536 0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.974 13.274 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.106 14.618 0.162 1.00 0.00 H new ATOM 1291 N LYS A 91 2.790 14.648 3.086 1.00 0.00 N ATOM 1292 CA LYS A 91 2.714 15.551 4.228 1.00 0.00 C ATOM 1293 C LYS A 91 3.052 14.820 5.524 1.00 0.00 C ATOM 1294 O LYS A 91 4.024 15.154 6.200 1.00 0.00 O ATOM 1295 CB LYS A 91 1.317 16.167 4.327 1.00 0.00 C ATOM 1296 CG LYS A 91 1.316 17.595 4.843 1.00 0.00 C ATOM 1297 CD LYS A 91 0.114 18.372 4.331 1.00 0.00 C ATOM 1298 CE LYS A 91 0.487 19.803 3.974 1.00 0.00 C ATOM 1299 NZ LYS A 91 0.893 19.931 2.548 1.00 0.00 N ATOM 0 H LYS A 91 1.906 14.515 2.595 1.00 0.00 H new ATOM 0 HA LYS A 91 3.445 16.346 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.849 16.145 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.704 15.552 4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.309 17.589 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.233 18.096 4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.297 17.872 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.668 18.377 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.361 20.459 4.170 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.303 20.136 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.139 20.921 2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.718 19.324 2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.106 19.637 1.935 1.00 0.00 H new ATOM 1313 N GLU A 92 2.243 13.820 5.861 1.00 0.00 N ATOM 1314 CA GLU A 92 2.457 13.042 7.075 1.00 0.00 C ATOM 1315 C GLU A 92 3.946 12.804 7.314 1.00 0.00 C ATOM 1316 O GLU A 92 4.433 12.922 8.439 1.00 0.00 O ATOM 1317 CB GLU A 92 1.724 11.702 6.985 1.00 0.00 C ATOM 1318 CG GLU A 92 0.425 11.770 6.199 1.00 0.00 C ATOM 1319 CD GLU A 92 -0.479 12.895 6.664 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.315 13.352 7.814 1.00 0.00 O ATOM 1321 OE2 GLU A 92 -1.351 13.318 5.877 1.00 0.00 O ATOM 0 H GLU A 92 1.434 13.530 5.311 1.00 0.00 H new ATOM 0 HA GLU A 92 2.058 13.611 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.382 10.968 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.511 11.346 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.651 11.904 5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.103 10.821 6.294 1.00 0.00 H new ATOM 1328 N LEU A 93 4.663 12.469 6.247 1.00 0.00 N ATOM 1329 CA LEU A 93 6.097 12.214 6.339 1.00 0.00 C ATOM 1330 C LEU A 93 6.893 13.496 6.119 1.00 0.00 C ATOM 1331 O LEU A 93 8.054 13.594 6.519 1.00 0.00 O ATOM 1332 CB LEU A 93 6.514 11.159 5.312 1.00 0.00 C ATOM 1333 CG LEU A 93 5.762 9.829 5.373 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.273 9.557 6.787 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.597 9.829 4.394 1.00 0.00 C ATOM 0 H LEU A 93 4.276 12.368 5.309 1.00 0.00 H new ATOM 0 HA LEU A 93 6.312 11.842 7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.386 11.581 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.578 10.958 5.439 1.00 0.00 H new ATOM 0 HG LEU A 93 6.449 9.032 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.740 8.606 6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.126 9.512 7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.602 10.357 7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.074 8.875 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.909 10.636 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.973 9.977 3.381 1.00 0.00 H new ATOM 1347 N CYS A 94 6.261 14.477 5.485 1.00 0.00 N ATOM 1348 CA CYS A 94 6.911 15.755 5.214 1.00 0.00 C ATOM 1349 C CYS A 94 8.205 15.552 4.433 1.00 0.00 C ATOM 1350 O CYS A 94 9.238 16.139 4.760 1.00 0.00 O ATOM 1351 CB CYS A 94 7.199 16.492 6.522 1.00 0.00 C ATOM 1352 SG CYS A 94 7.235 18.293 6.363 1.00 0.00 S ATOM 0 H CYS A 94 5.300 14.413 5.149 1.00 0.00 H new ATOM 0 HA CYS A 94 6.234 16.358 4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.441 16.218 7.255 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.158 16.153 6.914 1.00 0.00 H new ATOM 0 HG CYS A 94 7.484 18.826 7.522 1.00 0.00 H new ATOM 1358 N LEU A 95 8.144 14.718 3.402 1.00 0.00 N ATOM 1359 CA LEU A 95 9.312 14.435 2.575 1.00 0.00 C ATOM 1360 C LEU A 95 9.593 15.589 1.618 1.00 0.00 C ATOM 1361 O LEU A 95 8.696 16.338 1.230 1.00 0.00 O ATOM 1362 CB LEU A 95 9.103 13.142 1.786 1.00 0.00 C ATOM 1363 CG LEU A 95 7.891 13.114 0.854 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.265 13.637 -0.524 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.326 11.704 0.756 1.00 0.00 C ATOM 0 H LEU A 95 7.297 14.225 3.118 1.00 0.00 H new ATOM 0 HA LEU A 95 10.172 14.315 3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.997 12.953 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.011 12.318 2.494 1.00 0.00 H new ATOM 0 HG LEU A 95 7.122 13.764 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.390 13.610 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.622 14.663 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.052 13.013 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.464 11.703 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.090 11.033 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.019 11.365 1.746 1.00 0.00 H new ATOM 1377 N PRO A 96 10.867 15.736 1.225 1.00 0.00 N ATOM 1378 CA PRO A 96 11.295 16.794 0.306 1.00 0.00 C ATOM 1379 C PRO A 96 10.781 16.573 -1.112 1.00 0.00 C ATOM 1380 O PRO A 96 10.244 15.517 -1.446 1.00 0.00 O ATOM 1381 CB PRO A 96 12.823 16.699 0.342 1.00 0.00 C ATOM 1382 CG PRO A 96 13.105 15.288 0.729 1.00 0.00 C ATOM 1383 CD PRO A 96 11.988 14.880 1.649 1.00 0.00 C ATOM 0 HA PRO A 96 10.908 17.770 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.258 16.938 -0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.247 17.399 1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.143 14.643 -0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.071 15.206 1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.748 13.822 1.545 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.247 15.046 2.695 1.00 0.00 H new ATOM 1391 N PRO A 97 10.948 17.592 -1.969 1.00 0.00 N ATOM 1392 CA PRO A 97 10.509 17.532 -3.366 1.00 0.00 C ATOM 1393 C PRO A 97 11.348 16.567 -4.197 1.00 0.00 C ATOM 1394 O PRO A 97 10.992 16.234 -5.327 1.00 0.00 O ATOM 1395 CB PRO A 97 10.699 18.968 -3.860 1.00 0.00 C ATOM 1396 CG PRO A 97 11.762 19.533 -2.982 1.00 0.00 C ATOM 1397 CD PRO A 97 11.580 18.881 -1.639 1.00 0.00 C ATOM 0 HA PRO A 97 9.486 17.168 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.998 18.990 -4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.774 19.540 -3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.753 19.325 -3.386 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.670 20.616 -2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.532 18.742 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.950 19.481 -0.983 1.00 0.00 H new ATOM 1405 N VAL A 98 12.464 16.121 -3.629 1.00 0.00 N ATOM 1406 CA VAL A 98 13.353 15.193 -4.317 1.00 0.00 C ATOM 1407 C VAL A 98 12.908 13.749 -4.109 1.00 0.00 C ATOM 1408 O VAL A 98 13.101 12.897 -4.977 1.00 0.00 O ATOM 1409 CB VAL A 98 14.807 15.345 -3.833 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.897 15.116 -2.332 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.721 14.388 -4.583 1.00 0.00 C ATOM 0 H VAL A 98 12.774 16.387 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 98 13.304 15.436 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 98 15.136 16.363 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.932 15.228 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.274 15.846 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.549 14.110 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.744 14.509 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.396 13.362 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.679 14.606 -5.650 1.00 0.00 H new ATOM 1421 N LYS A 99 12.311 13.481 -2.953 1.00 0.00 N ATOM 1422 CA LYS A 99 11.836 12.141 -2.630 1.00 0.00 C ATOM 1423 C LYS A 99 10.343 12.011 -2.909 1.00 0.00 C ATOM 1424 O LYS A 99 9.655 11.193 -2.296 1.00 0.00 O ATOM 1425 CB LYS A 99 12.122 11.817 -1.161 1.00 0.00 C ATOM 1426 CG LYS A 99 13.577 12.006 -0.768 1.00 0.00 C ATOM 1427 CD LYS A 99 14.480 11.013 -1.481 1.00 0.00 C ATOM 1428 CE LYS A 99 15.949 11.344 -1.268 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.353 11.180 0.156 1.00 0.00 N ATOM 0 H LYS A 99 12.144 14.174 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 99 12.369 11.431 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.499 12.451 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.832 10.785 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.891 13.022 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.682 11.886 0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.276 10.007 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.256 11.017 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.562 10.698 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.140 12.370 -1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.368 11.382 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.810 11.839 0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.163 10.204 0.460 1.00 0.00 H new ATOM 1443 N LEU A 100 9.847 12.820 -3.838 1.00 0.00 N ATOM 1444 CA LEU A 100 8.434 12.794 -4.200 1.00 0.00 C ATOM 1445 C LEU A 100 8.036 11.426 -4.745 1.00 0.00 C ATOM 1446 O LEU A 100 7.002 10.873 -4.370 1.00 0.00 O ATOM 1447 CB LEU A 100 8.133 13.876 -5.239 1.00 0.00 C ATOM 1448 CG LEU A 100 7.723 15.242 -4.686 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.722 16.287 -5.790 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.355 15.160 -4.025 1.00 0.00 C ATOM 0 H LEU A 100 10.402 13.502 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 100 7.851 12.990 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.017 14.009 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.336 13.515 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 100 8.452 15.541 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.428 17.252 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.721 16.365 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.016 15.994 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.079 16.141 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.615 14.838 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.389 14.442 -3.205 1.00 0.00 H new ATOM 1462 N HIS A 101 8.866 10.884 -5.631 1.00 0.00 N ATOM 1463 CA HIS A 101 8.602 9.578 -6.226 1.00 0.00 C ATOM 1464 C HIS A 101 8.009 8.622 -5.196 1.00 0.00 C ATOM 1465 O HIS A 101 7.276 7.695 -5.545 1.00 0.00 O ATOM 1466 CB HIS A 101 9.889 8.989 -6.804 1.00 0.00 C ATOM 1467 CG HIS A 101 10.930 8.692 -5.770 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.716 9.667 -5.191 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.313 7.521 -5.208 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.537 9.109 -4.320 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.312 7.807 -4.311 1.00 0.00 N ATOM 0 H HIS A 101 9.726 11.328 -5.953 1.00 0.00 H new ATOM 0 HA HIS A 101 7.879 9.712 -7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.649 8.071 -7.340 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.302 9.686 -7.533 1.00 0.00 H new ATOM 0 HD1 HIS A 101 11.670 10.664 -5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.908 6.544 -5.425 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.268 9.628 -3.718 1.00 0.00 H new ATOM 1479 N CYS A 102 8.331 8.852 -3.928 1.00 0.00 N ATOM 1480 CA CYS A 102 7.831 8.009 -2.847 1.00 0.00 C ATOM 1481 C CYS A 102 6.343 8.250 -2.614 1.00 0.00 C ATOM 1482 O CYS A 102 5.530 7.332 -2.729 1.00 0.00 O ATOM 1483 CB CYS A 102 8.611 8.279 -1.560 1.00 0.00 C ATOM 1484 SG CYS A 102 10.228 7.474 -1.494 1.00 0.00 S ATOM 0 H CYS A 102 8.936 9.615 -3.623 1.00 0.00 H new ATOM 0 HA CYS A 102 7.971 6.968 -3.137 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.748 9.355 -1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.016 7.945 -0.710 1.00 0.00 H new ATOM 0 HG CYS A 102 10.883 7.726 -2.588 1.00 0.00 H new ATOM 1490 N SER A 103 5.993 9.489 -2.286 1.00 0.00 N ATOM 1491 CA SER A 103 4.603 9.850 -2.031 1.00 0.00 C ATOM 1492 C SER A 103 3.662 9.055 -2.932 1.00 0.00 C ATOM 1493 O SER A 103 2.822 8.294 -2.452 1.00 0.00 O ATOM 1494 CB SER A 103 4.394 11.349 -2.253 1.00 0.00 C ATOM 1495 OG SER A 103 5.586 12.073 -2.000 1.00 0.00 O ATOM 0 H SER A 103 6.653 10.261 -2.190 1.00 0.00 H new ATOM 0 HA SER A 103 4.375 9.609 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.068 11.526 -3.278 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.600 11.710 -1.599 1.00 0.00 H new ATOM 0 HG SER A 103 5.954 12.404 -2.846 1.00 0.00 H new ATOM 1501 N MET A 104 3.810 9.238 -4.240 1.00 0.00 N ATOM 1502 CA MET A 104 2.975 8.538 -5.208 1.00 0.00 C ATOM 1503 C MET A 104 3.107 7.026 -5.048 1.00 0.00 C ATOM 1504 O MET A 104 2.108 6.309 -4.986 1.00 0.00 O ATOM 1505 CB MET A 104 3.356 8.947 -6.632 1.00 0.00 C ATOM 1506 CG MET A 104 4.840 8.809 -6.928 1.00 0.00 C ATOM 1507 SD MET A 104 5.405 9.956 -8.199 1.00 0.00 S ATOM 1508 CE MET A 104 5.221 11.522 -7.348 1.00 0.00 C ATOM 0 H MET A 104 4.500 9.865 -4.653 1.00 0.00 H new ATOM 0 HA MET A 104 1.937 8.816 -5.023 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.795 8.336 -7.339 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.056 9.982 -6.796 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.406 8.980 -6.012 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.049 7.788 -7.247 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.966 12.227 -7.718 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.223 11.920 -7.530 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.363 11.373 -6.278 1.00 0.00 H new ATOM 1518 N LEU A 105 4.346 6.549 -4.983 1.00 0.00 N ATOM 1519 CA LEU A 105 4.609 5.123 -4.830 1.00 0.00 C ATOM 1520 C LEU A 105 3.621 4.488 -3.857 1.00 0.00 C ATOM 1521 O LEU A 105 2.968 3.495 -4.178 1.00 0.00 O ATOM 1522 CB LEU A 105 6.041 4.897 -4.342 1.00 0.00 C ATOM 1523 CG LEU A 105 6.705 3.595 -4.788 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.930 3.599 -6.293 1.00 0.00 C ATOM 1525 CD2 LEU A 105 8.020 3.387 -4.051 1.00 0.00 C ATOM 0 H LEU A 105 5.183 7.129 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 105 4.486 4.650 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.655 5.730 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.041 4.927 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 105 6.039 2.767 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.404 2.664 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.972 3.701 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.575 4.435 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.479 2.455 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.692 4.218 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.832 3.339 -2.978 1.00 0.00 H new ATOM 1537 N ALA A 106 3.516 5.069 -2.666 1.00 0.00 N ATOM 1538 CA ALA A 106 2.605 4.562 -1.647 1.00 0.00 C ATOM 1539 C ALA A 106 1.175 4.492 -2.174 1.00 0.00 C ATOM 1540 O ALA A 106 0.455 3.529 -1.914 1.00 0.00 O ATOM 1541 CB ALA A 106 2.667 5.435 -0.402 1.00 0.00 C ATOM 0 H ALA A 106 4.050 5.891 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 106 2.919 3.551 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.982 5.045 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.682 5.431 -0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.382 6.455 -0.658 1.00 0.00 H new ATOM 1547 N GLU A 107 0.772 5.519 -2.916 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.573 5.573 -3.478 1.00 0.00 C ATOM 1549 C GLU A 107 -0.751 4.515 -4.563 1.00 0.00 C ATOM 1550 O GLU A 107 -1.594 3.625 -4.445 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.853 6.962 -4.054 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.068 7.009 -4.966 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.238 8.355 -5.642 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.214 8.959 -6.025 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.394 8.805 -5.789 1.00 0.00 O ATOM 0 H GLU A 107 1.357 6.324 -3.142 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.283 5.370 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.998 7.664 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.022 7.299 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.977 6.234 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.962 6.783 -4.385 1.00 0.00 H new ATOM 1562 N ASP A 108 0.048 4.619 -5.620 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.021 3.672 -6.726 1.00 0.00 C ATOM 1564 C ASP A 108 -0.138 2.241 -6.210 1.00 0.00 C ATOM 1565 O ASP A 108 -0.880 1.430 -6.764 1.00 0.00 O ATOM 1566 CB ASP A 108 1.215 3.806 -7.618 1.00 0.00 C ATOM 1567 CG ASP A 108 1.116 4.980 -8.571 1.00 0.00 C ATOM 1568 OD1 ASP A 108 0.296 5.886 -8.314 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.859 4.993 -9.575 1.00 0.00 O ATOM 0 H ASP A 108 0.751 5.350 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.910 3.901 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.100 3.923 -6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.348 2.888 -8.190 1.00 0.00 H new ATOM 1574 N ALA A 109 0.599 1.938 -5.147 1.00 0.00 N ATOM 1575 CA ALA A 109 0.577 0.606 -4.556 1.00 0.00 C ATOM 1576 C ALA A 109 -0.813 0.260 -4.034 1.00 0.00 C ATOM 1577 O ALA A 109 -1.397 -0.753 -4.422 1.00 0.00 O ATOM 1578 CB ALA A 109 1.603 0.508 -3.437 1.00 0.00 C ATOM 0 H ALA A 109 1.219 2.597 -4.677 1.00 0.00 H new ATOM 0 HA ALA A 109 0.834 -0.114 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.575 -0.492 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.598 0.703 -3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.372 1.243 -2.666 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.337 1.106 -3.154 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.659 0.889 -2.580 1.00 0.00 C ATOM 1586 C ILE A 110 -3.671 0.514 -3.657 1.00 0.00 C ATOM 1587 O ILE A 110 -4.233 -0.582 -3.642 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.161 2.139 -1.833 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.273 2.426 -0.621 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.609 1.954 -1.404 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.226 3.889 -0.238 1.00 0.00 C ATOM 0 H ILE A 110 -0.866 1.948 -2.823 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.564 0.066 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.109 2.993 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.635 1.848 0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.261 2.082 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.949 2.846 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.231 1.793 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.685 1.091 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.578 4.018 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.835 4.471 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.231 4.234 0.006 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.898 1.429 -4.593 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.840 1.195 -5.681 1.00 0.00 C ATOM 1605 C LYS A 111 -4.606 -0.170 -6.318 1.00 0.00 C ATOM 1606 O LYS A 111 -5.500 -1.016 -6.342 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.712 2.293 -6.739 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.482 3.558 -6.400 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.617 4.552 -5.644 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.430 5.335 -4.624 1.00 0.00 C ATOM 1611 NZ LYS A 111 -4.645 5.623 -3.392 1.00 0.00 N ATOM 0 H LYS A 111 -3.442 2.341 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.848 1.215 -5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.659 2.542 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.066 1.908 -7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.849 4.018 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.355 3.303 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.810 4.023 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.153 5.242 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.765 6.272 -5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.324 4.770 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -5.161 5.270 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.720 5.151 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -4.505 6.650 -3.302 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.399 -0.379 -6.834 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.047 -1.643 -7.468 1.00 0.00 C ATOM 1627 C ALA A 112 -3.631 -2.824 -6.700 1.00 0.00 C ATOM 1628 O ALA A 112 -4.134 -3.776 -7.296 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.535 -1.776 -7.576 1.00 0.00 C ATOM 0 H ALA A 112 -2.648 0.312 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.474 -1.649 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.286 -2.725 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.139 -0.955 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.095 -1.743 -6.579 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.559 -2.756 -5.375 1.00 0.00 N ATOM 1636 CA ALA A 113 -4.081 -3.819 -4.526 1.00 0.00 C ATOM 1637 C ALA A 113 -5.569 -4.041 -4.777 1.00 0.00 C ATOM 1638 O ALA A 113 -5.963 -5.023 -5.407 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.834 -3.493 -3.060 1.00 0.00 C ATOM 0 H ALA A 113 -3.144 -1.975 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.555 -4.741 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.229 -4.296 -2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.763 -3.392 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.333 -2.558 -2.806 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.391 -3.123 -4.280 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.837 -3.219 -4.450 1.00 0.00 C ATOM 1647 C LEU A 114 -8.191 -3.662 -5.866 1.00 0.00 C ATOM 1648 O LEU A 114 -8.861 -4.675 -6.061 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.497 -1.873 -4.144 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.060 -1.191 -2.847 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.732 -2.228 -1.784 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.865 -0.284 -3.098 1.00 0.00 C ATOM 0 H LEU A 114 -6.081 -2.304 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.211 -3.967 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.295 -1.195 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.576 -2.020 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.885 -0.578 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.423 -1.725 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.614 -2.836 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.923 -2.868 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.568 0.193 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.034 -0.875 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.135 0.481 -3.826 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.733 -2.896 -6.852 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.997 -3.211 -8.250 1.00 0.00 C ATOM 1666 C ALA A 115 -7.823 -4.702 -8.519 1.00 0.00 C ATOM 1667 O ALA A 115 -8.797 -5.420 -8.746 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.084 -2.399 -9.156 1.00 0.00 C ATOM 0 H ALA A 115 -7.177 -2.053 -6.707 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.032 -2.948 -8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.293 -2.645 -10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.260 -1.336 -8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.044 -2.634 -8.929 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.576 -5.161 -8.493 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.274 -6.567 -8.734 1.00 0.00 C ATOM 1676 C ASP A 116 -7.292 -7.468 -8.041 1.00 0.00 C ATOM 1677 O ASP A 116 -7.794 -8.424 -8.633 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.864 -6.899 -8.244 1.00 0.00 C ATOM 1679 CG ASP A 116 -3.804 -6.606 -9.288 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -4.056 -5.754 -10.165 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -2.723 -7.229 -9.227 1.00 0.00 O ATOM 0 H ASP A 116 -5.759 -4.580 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.329 -6.746 -9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.651 -6.324 -7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.817 -7.953 -7.968 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.591 -7.157 -6.785 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.546 -7.941 -6.011 1.00 0.00 C ATOM 1688 C TYR A 117 -9.922 -7.927 -6.668 1.00 0.00 C ATOM 1689 O TYR A 117 -10.602 -8.951 -6.736 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.645 -7.398 -4.584 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.979 -7.666 -3.925 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.201 -8.837 -3.211 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -11.018 -6.748 -4.016 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.418 -9.087 -2.608 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.238 -6.989 -3.415 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.434 -8.160 -2.713 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.648 -8.404 -2.113 1.00 0.00 O ATOM 0 H TYR A 117 -7.186 -6.368 -6.281 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.190 -8.971 -5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.855 -7.843 -3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.467 -6.323 -4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.408 -9.565 -3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.869 -5.831 -4.566 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.573 -10.003 -2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -13.035 -6.264 -3.494 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.253 -7.652 -2.281 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.327 -6.758 -7.154 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.621 -6.608 -7.809 1.00 0.00 C ATOM 1709 C LYS A 118 -11.655 -7.372 -9.129 1.00 0.00 C ATOM 1710 O LYS A 118 -12.632 -8.055 -9.438 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.922 -5.128 -8.056 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.050 -4.312 -6.782 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.988 -2.821 -7.066 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.383 -2.056 -5.899 1.00 0.00 C ATOM 1715 NZ LYS A 118 -11.753 -0.613 -5.930 1.00 0.00 N ATOM 0 H LYS A 118 -9.777 -5.900 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.384 -7.023 -7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.129 -4.703 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.848 -5.044 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -12.993 -4.550 -6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.252 -4.585 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.396 -2.645 -7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.991 -2.446 -7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.721 -2.497 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.298 -2.153 -5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.657 -0.209 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.123 -0.107 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -12.737 -0.514 -6.251 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.581 -7.254 -9.903 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.487 -7.935 -11.190 1.00 0.00 C ATOM 1731 C LEU A 119 -10.943 -9.386 -11.072 1.00 0.00 C ATOM 1732 O LEU A 119 -11.639 -9.902 -11.948 1.00 0.00 O ATOM 1733 CB LEU A 119 -9.051 -7.881 -11.714 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.391 -6.502 -11.722 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -7.116 -6.525 -12.550 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.356 -5.452 -12.254 1.00 0.00 C ATOM 0 H LEU A 119 -9.764 -6.693 -9.662 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.143 -7.423 -11.894 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.439 -8.551 -11.109 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.042 -8.272 -12.731 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.129 -6.240 -10.697 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.660 -5.535 -12.544 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.419 -7.248 -12.125 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.353 -6.809 -13.575 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.869 -4.477 -12.253 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.649 -5.710 -13.272 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.241 -5.417 -11.619 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.549 -10.038 -9.984 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.920 -11.429 -9.749 1.00 0.00 C ATOM 1750 C LYS A 120 -12.400 -11.546 -9.398 1.00 0.00 C ATOM 1751 O LYS A 120 -13.024 -12.578 -9.640 1.00 0.00 O ATOM 1752 CB LYS A 120 -10.069 -12.022 -8.624 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.637 -11.517 -8.614 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.680 -12.566 -8.072 1.00 0.00 C ATOM 1755 CE LYS A 120 -7.189 -13.494 -9.172 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.356 -14.604 -8.631 1.00 0.00 N ATOM 0 H LYS A 120 -9.973 -9.626 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.738 -11.988 -10.667 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.534 -11.789 -7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -10.062 -13.108 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.341 -11.241 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.572 -10.615 -8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.828 -12.075 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -8.178 -13.149 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -8.044 -13.909 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.608 -12.923 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.041 -15.214 -9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.526 -14.210 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.918 -15.164 -7.959 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.954 -10.481 -8.828 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.361 -10.465 -8.445 1.00 0.00 C ATOM 1772 C GLN A 121 -15.254 -10.242 -9.661 1.00 0.00 C ATOM 1773 O GLN A 121 -16.381 -10.733 -9.713 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.615 -9.374 -7.404 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.772 -9.523 -6.148 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.941 -10.877 -5.489 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -15.014 -11.203 -4.979 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.881 -11.676 -5.495 1.00 0.00 N ATOM 0 H GLN A 121 -12.450 -9.618 -8.621 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.605 -11.435 -8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.414 -8.401 -7.853 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.669 -9.386 -7.127 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.722 -9.374 -6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -14.043 -8.741 -5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -12.011 -11.366 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.936 -12.600 -5.066 1.00 0.00 H new