USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 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 161:sc= 0.0165 USER MOD Set 1.2: A 59 CYS SG : rot -142:sc= -1.67 USER MOD Set 1.3: A 101 HIS : no HE2:sc= 0.418 K(o=-5.5,f=-11) USER MOD Set 1.4: A 102 CYS SG : rot 52:sc= -4.31 USER MOD Set 2.1: A 37 MET CE :methyl -108:sc= -3.23 (180deg=-5.53!) USER MOD Set 2.2: A 56 THR OG1 : rot -127:sc= -0.198 USER MOD Set 2.3: A 66 SER OG : rot 81:sc= 0.289 USER MOD Single : A 22 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.0854 (180deg=-0.555) USER MOD Single : A 40 GLN : amide:sc= -0.0484 X(o=-0.048,f=0) 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+ 162:sc= -0.618 (180deg=-1.18) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -120:sc= 0 USER MOD Single : A 65 SER OG : rot 93:sc= 0.0499 USER MOD Single : A 67 SER OG : rot -49:sc= 1.09 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= 0.351 (180deg=-0.271) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 83 THR OG1 : rot -89:sc= 1.14 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.535 K(o=0.53,f=-2.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 17:sc= 1.25 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -150:sc= -0.992 USER MOD Single : A 104 MET CE :methyl 158:sc= -0.0842 (180deg=-0.507) USER MOD Single : A 111 LYS NZ :NH3+ -166:sc= 0.764 (180deg=0.401) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0958 USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0731) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -8.984 -13.303 -2.537 1.00 0.00 N ATOM 282 CA ASN A 22 -9.517 -12.408 -1.516 1.00 0.00 C ATOM 283 C ASN A 22 -8.496 -11.336 -1.147 1.00 0.00 C ATOM 284 O ASN A 22 -8.844 -10.305 -0.569 1.00 0.00 O ATOM 285 CB ASN A 22 -9.914 -13.202 -0.270 1.00 0.00 C ATOM 286 CG ASN A 22 -8.788 -14.082 0.238 1.00 0.00 C ATOM 287 OD1 ASN A 22 -7.893 -13.500 1.028 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -8.724 -15.270 -0.076 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.401 -11.917 -1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.215 -12.511 0.517 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.781 -13.822 -0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.434 -15.675 -0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.961 -15.849 0.274 1.00 0.00 H new ATOM 295 N VAL A 23 -7.235 -11.585 -1.484 1.00 0.00 N ATOM 296 CA VAL A 23 -6.164 -10.641 -1.190 1.00 0.00 C ATOM 297 C VAL A 23 -5.487 -10.161 -2.469 1.00 0.00 C ATOM 298 O VAL A 23 -4.867 -10.943 -3.187 1.00 0.00 O ATOM 299 CB VAL A 23 -5.103 -11.266 -0.265 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.874 -12.726 -0.624 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.802 -10.481 -0.338 1.00 0.00 C ATOM 0 H VAL A 23 -6.930 -12.433 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.622 -9.791 -0.684 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.470 -11.222 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.121 -13.150 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.807 -13.278 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.529 -12.797 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.064 -10.937 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.428 -10.491 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.980 -9.452 -0.027 1.00 0.00 H new ATOM 311 N GLY A 24 -5.612 -8.867 -2.748 1.00 0.00 N ATOM 312 CA GLY A 24 -5.007 -8.303 -3.941 1.00 0.00 C ATOM 313 C GLY A 24 -3.513 -8.094 -3.790 1.00 0.00 C ATOM 314 O GLY A 24 -2.966 -8.234 -2.695 1.00 0.00 O ATOM 0 H GLY A 24 -6.121 -8.199 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.195 -8.964 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.483 -7.349 -4.170 1.00 0.00 H new ATOM 318 N THR A 25 -2.849 -7.760 -4.892 1.00 0.00 N ATOM 319 CA THR A 25 -1.409 -7.535 -4.879 1.00 0.00 C ATOM 320 C THR A 25 -1.040 -6.291 -5.680 1.00 0.00 C ATOM 321 O THR A 25 -1.384 -6.173 -6.855 1.00 0.00 O ATOM 322 CB THR A 25 -0.646 -8.744 -5.450 1.00 0.00 C ATOM 323 OG1 THR A 25 -1.169 -9.958 -4.899 1.00 0.00 O ATOM 324 CG2 THR A 25 0.840 -8.641 -5.141 1.00 0.00 C ATOM 0 H THR A 25 -3.286 -7.639 -5.806 1.00 0.00 H new ATOM 0 HA THR A 25 -1.121 -7.392 -3.837 1.00 0.00 H new ATOM 0 HB THR A 25 -0.777 -8.750 -6.532 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.679 -10.722 -5.268 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.358 -9.506 -5.554 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.242 -7.731 -5.586 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.986 -8.612 -4.061 1.00 0.00 H new ATOM 332 N GLY A 26 -0.337 -5.365 -5.035 1.00 0.00 N ATOM 333 CA GLY A 26 0.067 -4.142 -5.704 1.00 0.00 C ATOM 334 C GLY A 26 1.544 -3.847 -5.530 1.00 0.00 C ATOM 335 O GLY A 26 1.989 -3.490 -4.438 1.00 0.00 O ATOM 0 H GLY A 26 -0.040 -5.440 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.162 -4.220 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.516 -3.308 -5.313 1.00 0.00 H new ATOM 339 N LEU A 27 2.307 -3.998 -6.607 1.00 0.00 N ATOM 340 CA LEU A 27 3.744 -3.747 -6.568 1.00 0.00 C ATOM 341 C LEU A 27 4.115 -2.568 -7.461 1.00 0.00 C ATOM 342 O LEU A 27 3.960 -2.627 -8.681 1.00 0.00 O ATOM 343 CB LEU A 27 4.511 -4.995 -7.006 1.00 0.00 C ATOM 344 CG LEU A 27 6.024 -4.833 -7.160 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.635 -4.290 -5.878 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.667 -6.160 -7.539 1.00 0.00 C ATOM 0 H LEU A 27 1.955 -4.293 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 27 4.018 -3.501 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.322 -5.786 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.103 -5.332 -7.959 1.00 0.00 H new ATOM 0 HG LEU A 27 6.214 -4.118 -7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.712 -4.181 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.197 -3.319 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.435 -4.980 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.744 -6.026 -7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.468 -6.896 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.251 -6.509 -8.484 1.00 0.00 H new ATOM 358 N VAL A 28 4.607 -1.497 -6.846 1.00 0.00 N ATOM 359 CA VAL A 28 5.003 -0.305 -7.585 1.00 0.00 C ATOM 360 C VAL A 28 6.360 0.208 -7.115 1.00 0.00 C ATOM 361 O VAL A 28 6.503 0.666 -5.982 1.00 0.00 O ATOM 362 CB VAL A 28 3.962 0.820 -7.437 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.611 0.371 -7.974 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.849 1.253 -5.983 1.00 0.00 C ATOM 0 H VAL A 28 4.741 -1.431 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 28 5.070 -0.592 -8.634 1.00 0.00 H new ATOM 0 HB VAL A 28 4.293 1.677 -8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.888 1.179 -7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.706 0.114 -9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.270 -0.502 -7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.109 2.049 -5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.541 0.404 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.816 1.618 -5.636 1.00 0.00 H new ATOM 374 N GLY A 29 7.354 0.127 -7.993 1.00 0.00 N ATOM 375 CA GLY A 29 8.687 0.588 -7.649 1.00 0.00 C ATOM 376 C GLY A 29 9.098 1.815 -8.438 1.00 0.00 C ATOM 377 O GLY A 29 8.354 2.288 -9.296 1.00 0.00 O ATOM 0 H GLY A 29 7.261 -0.249 -8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.726 0.815 -6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.403 -0.213 -7.830 1.00 0.00 H new ATOM 381 N ALA A 30 10.286 2.334 -8.145 1.00 0.00 N ATOM 382 CA ALA A 30 10.795 3.514 -8.834 1.00 0.00 C ATOM 383 C ALA A 30 11.896 3.142 -9.820 1.00 0.00 C ATOM 384 O ALA A 30 12.835 2.416 -9.495 1.00 0.00 O ATOM 385 CB ALA A 30 11.308 4.532 -7.826 1.00 0.00 C ATOM 0 H ALA A 30 10.914 1.956 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 30 9.974 3.958 -9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.685 5.408 -8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.495 4.829 -7.163 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.112 4.089 -7.238 1.00 0.00 H new ATOM 391 N PRO A 31 11.780 3.649 -11.057 1.00 0.00 N ATOM 392 CA PRO A 31 12.757 3.383 -12.116 1.00 0.00 C ATOM 393 C PRO A 31 14.096 4.066 -11.855 1.00 0.00 C ATOM 394 O PRO A 31 15.155 3.470 -12.049 1.00 0.00 O ATOM 395 CB PRO A 31 12.094 3.967 -13.366 1.00 0.00 C ATOM 396 CG PRO A 31 11.172 5.018 -12.849 1.00 0.00 C ATOM 397 CD PRO A 31 10.686 4.523 -11.515 1.00 0.00 C ATOM 0 HA PRO A 31 12.990 2.321 -12.197 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.834 4.389 -14.046 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.551 3.202 -13.921 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.687 5.973 -12.747 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.339 5.177 -13.533 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.511 5.345 -10.821 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.747 3.977 -11.607 1.00 0.00 H new ATOM 405 N ALA A 32 14.040 5.318 -11.414 1.00 0.00 N ATOM 406 CA ALA A 32 15.248 6.081 -11.125 1.00 0.00 C ATOM 407 C ALA A 32 15.856 5.660 -9.791 1.00 0.00 C ATOM 408 O ALA A 32 16.934 5.065 -9.749 1.00 0.00 O ATOM 409 CB ALA A 32 14.943 7.571 -11.121 1.00 0.00 C ATOM 0 H ALA A 32 13.171 5.826 -11.249 1.00 0.00 H new ATOM 0 HA ALA A 32 15.976 5.873 -11.909 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.854 8.128 -10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.561 7.867 -12.098 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.195 7.787 -10.358 1.00 0.00 H new ATOM 415 N CYS A 33 15.160 5.972 -8.704 1.00 0.00 N ATOM 416 CA CYS A 33 15.632 5.628 -7.368 1.00 0.00 C ATOM 417 C CYS A 33 15.853 4.123 -7.241 1.00 0.00 C ATOM 418 O CYS A 33 16.666 3.671 -6.436 1.00 0.00 O ATOM 419 CB CYS A 33 14.628 6.098 -6.313 1.00 0.00 C ATOM 420 SG CYS A 33 15.339 6.300 -4.648 1.00 0.00 S ATOM 0 H CYS A 33 14.266 6.463 -8.722 1.00 0.00 H new ATOM 0 HA CYS A 33 16.584 6.133 -7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.201 7.049 -6.632 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.808 5.381 -6.262 1.00 0.00 H new ATOM 0 HG CYS A 33 14.563 7.060 -3.934 1.00 0.00 H new ATOM 425 N GLY A 34 15.123 3.353 -8.041 1.00 0.00 N ATOM 426 CA GLY A 34 15.254 1.908 -8.003 1.00 0.00 C ATOM 427 C GLY A 34 14.729 1.313 -6.712 1.00 0.00 C ATOM 428 O GLY A 34 15.491 0.752 -5.924 1.00 0.00 O ATOM 0 H GLY A 34 14.443 3.704 -8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.714 1.475 -8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.303 1.638 -8.124 1.00 0.00 H new ATOM 432 N ASP A 35 13.424 1.435 -6.493 1.00 0.00 N ATOM 433 CA ASP A 35 12.798 0.905 -5.288 1.00 0.00 C ATOM 434 C ASP A 35 11.752 -0.149 -5.638 1.00 0.00 C ATOM 435 O ASP A 35 11.301 -0.236 -6.780 1.00 0.00 O ATOM 436 CB ASP A 35 12.153 2.034 -4.484 1.00 0.00 C ATOM 437 CG ASP A 35 13.107 3.185 -4.233 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.334 2.970 -4.327 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.627 4.301 -3.944 1.00 0.00 O ATOM 0 H ASP A 35 12.779 1.897 -7.135 1.00 0.00 H new ATOM 0 HA ASP A 35 13.573 0.435 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.277 2.402 -5.018 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.802 1.642 -3.529 1.00 0.00 H new ATOM 444 N VAL A 36 11.371 -0.949 -4.647 1.00 0.00 N ATOM 445 CA VAL A 36 10.379 -1.998 -4.850 1.00 0.00 C ATOM 446 C VAL A 36 9.356 -2.012 -3.719 1.00 0.00 C ATOM 447 O VAL A 36 9.605 -2.569 -2.650 1.00 0.00 O ATOM 448 CB VAL A 36 11.040 -3.386 -4.947 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.983 -4.478 -5.001 1.00 0.00 C ATOM 450 CG2 VAL A 36 11.955 -3.456 -6.160 1.00 0.00 C ATOM 0 H VAL A 36 11.734 -0.891 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 36 9.874 -1.779 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 36 11.646 -3.545 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.469 -5.451 -5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.373 -4.439 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.348 -4.327 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.414 -4.443 -6.213 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.374 -3.276 -7.065 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.734 -2.698 -6.073 1.00 0.00 H new ATOM 460 N MET A 37 8.204 -1.397 -3.963 1.00 0.00 N ATOM 461 CA MET A 37 7.142 -1.341 -2.966 1.00 0.00 C ATOM 462 C MET A 37 6.099 -2.425 -3.219 1.00 0.00 C ATOM 463 O MET A 37 5.267 -2.303 -4.118 1.00 0.00 O ATOM 464 CB MET A 37 6.475 0.036 -2.977 1.00 0.00 C ATOM 465 CG MET A 37 5.762 0.377 -1.678 1.00 0.00 C ATOM 466 SD MET A 37 4.788 1.890 -1.796 1.00 0.00 S ATOM 467 CE MET A 37 3.555 1.598 -0.529 1.00 0.00 C ATOM 0 H MET A 37 7.982 -0.930 -4.842 1.00 0.00 H new ATOM 0 HA MET A 37 7.589 -1.513 -1.987 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.231 0.795 -3.177 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.758 0.077 -3.797 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.109 -0.450 -1.399 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.498 0.485 -0.882 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.592 1.395 -0.998 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.851 0.742 0.077 1.00 0.00 H new ATOM 0 HE3 MET A 37 3.470 2.480 0.106 1.00 0.00 H new ATOM 477 N LYS A 38 6.150 -3.487 -2.422 1.00 0.00 N ATOM 478 CA LYS A 38 5.211 -4.593 -2.559 1.00 0.00 C ATOM 479 C LYS A 38 4.110 -4.505 -1.506 1.00 0.00 C ATOM 480 O LYS A 38 4.340 -4.782 -0.328 1.00 0.00 O ATOM 481 CB LYS A 38 5.944 -5.930 -2.435 1.00 0.00 C ATOM 482 CG LYS A 38 5.069 -7.134 -2.737 1.00 0.00 C ATOM 483 CD LYS A 38 5.194 -7.565 -4.188 1.00 0.00 C ATOM 484 CE LYS A 38 5.039 -9.071 -4.338 1.00 0.00 C ATOM 485 NZ LYS A 38 6.144 -9.811 -3.669 1.00 0.00 N ATOM 0 H LYS A 38 6.833 -3.605 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 38 4.752 -4.528 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.797 -5.932 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.341 -6.025 -1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.350 -7.961 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.029 -6.893 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.436 -7.059 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.164 -7.258 -4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.084 -9.382 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.017 -9.330 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.294 -10.721 -4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.017 -9.247 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.894 -9.983 -2.674 1.00 0.00 H new ATOM 499 N LEU A 39 2.914 -4.120 -1.938 1.00 0.00 N ATOM 500 CA LEU A 39 1.777 -3.998 -1.033 1.00 0.00 C ATOM 501 C LEU A 39 0.797 -5.149 -1.231 1.00 0.00 C ATOM 502 O LEU A 39 0.612 -5.633 -2.347 1.00 0.00 O ATOM 503 CB LEU A 39 1.064 -2.662 -1.255 1.00 0.00 C ATOM 504 CG LEU A 39 0.315 -2.093 -0.050 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.286 -1.449 0.927 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.736 -1.089 -0.502 1.00 0.00 C ATOM 0 H LEU A 39 2.707 -3.887 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 39 2.153 -4.037 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.802 -1.928 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.355 -2.783 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.190 -2.913 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.734 -1.050 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.000 -2.195 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.820 -0.640 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.260 -0.694 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.252 -0.271 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.450 -1.582 -1.162 1.00 0.00 H new ATOM 518 N GLN A 40 0.170 -5.581 -0.141 1.00 0.00 N ATOM 519 CA GLN A 40 -0.793 -6.674 -0.197 1.00 0.00 C ATOM 520 C GLN A 40 -1.823 -6.550 0.921 1.00 0.00 C ATOM 521 O GLN A 40 -1.472 -6.523 2.101 1.00 0.00 O ATOM 522 CB GLN A 40 -0.073 -8.021 -0.096 1.00 0.00 C ATOM 523 CG GLN A 40 0.404 -8.558 -1.436 1.00 0.00 C ATOM 524 CD GLN A 40 0.697 -10.045 -1.398 1.00 0.00 C ATOM 525 OE1 GLN A 40 1.847 -10.466 -1.525 1.00 0.00 O ATOM 526 NE2 GLN A 40 -0.345 -10.849 -1.221 1.00 0.00 N ATOM 0 H GLN A 40 0.312 -5.191 0.791 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.313 -6.618 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.784 -7.917 0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.744 -8.749 0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.355 -8.360 -2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.304 -8.022 -1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.281 -10.456 -1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.209 -11.859 -1.186 1.00 0.00 H new ATOM 535 N ILE A 41 -3.094 -6.474 0.541 1.00 0.00 N ATOM 536 CA ILE A 41 -4.175 -6.353 1.512 1.00 0.00 C ATOM 537 C ILE A 41 -5.189 -7.480 1.348 1.00 0.00 C ATOM 538 O ILE A 41 -5.524 -7.868 0.230 1.00 0.00 O ATOM 539 CB ILE A 41 -4.900 -5.001 1.380 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.592 -4.899 0.020 1.00 0.00 C ATOM 541 CG2 ILE A 41 -3.920 -3.853 1.570 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.013 -5.419 0.024 1.00 0.00 C ATOM 0 H ILE A 41 -3.401 -6.494 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.721 -6.417 2.501 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.660 -4.936 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.596 -3.857 -0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.012 -5.456 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.448 -2.904 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.470 -3.919 2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.139 -3.912 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.441 -5.315 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.015 -6.470 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.608 -4.847 0.736 1.00 0.00 H new ATOM 554 N GLN A 42 -5.675 -7.999 2.471 1.00 0.00 N ATOM 555 CA GLN A 42 -6.652 -9.081 2.452 1.00 0.00 C ATOM 556 C GLN A 42 -8.065 -8.541 2.652 1.00 0.00 C ATOM 557 O GLN A 42 -8.377 -7.960 3.692 1.00 0.00 O ATOM 558 CB GLN A 42 -6.328 -10.109 3.536 1.00 0.00 C ATOM 559 CG GLN A 42 -6.911 -11.486 3.263 1.00 0.00 C ATOM 560 CD GLN A 42 -6.927 -12.368 4.496 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.891 -12.367 5.262 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.856 -13.129 4.694 1.00 0.00 N ATOM 0 H GLN A 42 -5.408 -7.688 3.405 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.602 -9.565 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.246 -10.194 3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.705 -9.747 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.928 -11.378 2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.330 -11.973 2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.079 -13.098 4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.810 -13.744 5.507 1.00 0.00 H new ATOM 571 N VAL A 43 -8.916 -8.738 1.650 1.00 0.00 N ATOM 572 CA VAL A 43 -10.296 -8.272 1.716 1.00 0.00 C ATOM 573 C VAL A 43 -11.227 -9.379 2.196 1.00 0.00 C ATOM 574 O VAL A 43 -11.132 -10.522 1.748 1.00 0.00 O ATOM 575 CB VAL A 43 -10.783 -7.764 0.346 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.247 -7.358 0.417 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.922 -6.603 -0.128 1.00 0.00 C ATOM 0 H VAL A 43 -8.674 -9.217 0.783 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.318 -7.448 2.429 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.690 -8.575 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.574 -7.002 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.849 -8.218 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.369 -6.563 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.280 -6.256 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.981 -5.788 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.887 -6.932 -0.220 1.00 0.00 H new ATOM 587 N ASP A 44 -12.127 -9.033 3.109 1.00 0.00 N ATOM 588 CA ASP A 44 -13.078 -9.997 3.650 1.00 0.00 C ATOM 589 C ASP A 44 -14.315 -10.097 2.762 1.00 0.00 C ATOM 590 O ASP A 44 -14.375 -9.488 1.695 1.00 0.00 O ATOM 591 CB ASP A 44 -13.485 -9.603 5.071 1.00 0.00 C ATOM 592 CG ASP A 44 -13.861 -10.803 5.919 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.070 -11.768 5.965 1.00 0.00 O ATOM 594 OD2 ASP A 44 -14.945 -10.775 6.537 1.00 0.00 O ATOM 0 H ASP A 44 -12.218 -8.091 3.490 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.593 -10.973 3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.662 -9.069 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.329 -8.914 5.027 1.00 0.00 H new ATOM 599 N GLU A 45 -15.299 -10.870 3.211 1.00 0.00 N ATOM 600 CA GLU A 45 -16.533 -11.051 2.456 1.00 0.00 C ATOM 601 C GLU A 45 -17.289 -9.731 2.326 1.00 0.00 C ATOM 602 O GLU A 45 -17.905 -9.454 1.296 1.00 0.00 O ATOM 603 CB GLU A 45 -17.423 -12.096 3.132 1.00 0.00 C ATOM 604 CG GLU A 45 -17.949 -11.661 4.489 1.00 0.00 C ATOM 605 CD GLU A 45 -18.328 -12.835 5.371 1.00 0.00 C ATOM 606 OE1 GLU A 45 -19.491 -13.284 5.295 1.00 0.00 O ATOM 607 OE2 GLU A 45 -17.461 -13.304 6.138 1.00 0.00 O ATOM 0 H GLU A 45 -15.265 -11.381 4.093 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.270 -11.400 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.267 -12.319 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.858 -13.021 3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.191 -11.062 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.820 -11.021 4.349 1.00 0.00 H new ATOM 614 N LYS A 46 -17.238 -8.921 3.378 1.00 0.00 N ATOM 615 CA LYS A 46 -17.917 -7.630 3.383 1.00 0.00 C ATOM 616 C LYS A 46 -17.208 -6.639 2.465 1.00 0.00 C ATOM 617 O LYS A 46 -17.804 -5.663 2.011 1.00 0.00 O ATOM 618 CB LYS A 46 -17.978 -7.069 4.806 1.00 0.00 C ATOM 619 CG LYS A 46 -18.713 -7.969 5.783 1.00 0.00 C ATOM 620 CD LYS A 46 -19.389 -7.166 6.882 1.00 0.00 C ATOM 621 CE LYS A 46 -20.441 -7.989 7.609 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.623 -7.539 9.016 1.00 0.00 N ATOM 0 H LYS A 46 -16.734 -9.135 4.238 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.931 -7.779 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.963 -6.907 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.467 -6.095 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.460 -8.555 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -18.011 -8.675 6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.640 -6.820 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.853 -6.278 6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.390 -7.915 7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -20.151 -9.040 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.348 -8.125 9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.724 -7.633 9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.924 -6.544 9.026 1.00 0.00 H new ATOM 636 N GLY A 47 -15.932 -6.899 2.193 1.00 0.00 N ATOM 637 CA GLY A 47 -15.165 -6.021 1.329 1.00 0.00 C ATOM 638 C GLY A 47 -14.319 -5.034 2.109 1.00 0.00 C ATOM 639 O GLY A 47 -13.930 -3.989 1.587 1.00 0.00 O ATOM 0 H GLY A 47 -15.417 -7.701 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.519 -6.621 0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.845 -5.475 0.675 1.00 0.00 H new ATOM 643 N LYS A 48 -14.034 -5.364 3.364 1.00 0.00 N ATOM 644 CA LYS A 48 -13.229 -4.500 4.219 1.00 0.00 C ATOM 645 C LYS A 48 -11.834 -5.081 4.421 1.00 0.00 C ATOM 646 O LYS A 48 -11.671 -6.293 4.567 1.00 0.00 O ATOM 647 CB LYS A 48 -13.914 -4.307 5.574 1.00 0.00 C ATOM 648 CG LYS A 48 -13.163 -3.375 6.509 1.00 0.00 C ATOM 649 CD LYS A 48 -12.172 -4.134 7.375 1.00 0.00 C ATOM 650 CE LYS A 48 -12.806 -4.587 8.681 1.00 0.00 C ATOM 651 NZ LYS A 48 -13.769 -5.703 8.472 1.00 0.00 N ATOM 0 H LYS A 48 -14.349 -6.225 3.812 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.132 -3.532 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.917 -3.914 5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.027 -5.278 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.635 -2.621 5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.873 -2.846 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.800 -5.001 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.312 -3.499 7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.026 -4.905 9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.320 -3.746 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.947 -6.182 9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.663 -5.325 8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.371 -6.383 7.793 1.00 0.00 H new ATOM 665 N ILE A 49 -10.830 -4.210 4.430 1.00 0.00 N ATOM 666 CA ILE A 49 -9.450 -4.638 4.617 1.00 0.00 C ATOM 667 C ILE A 49 -9.196 -5.064 6.059 1.00 0.00 C ATOM 668 O ILE A 49 -9.216 -4.240 6.974 1.00 0.00 O ATOM 669 CB ILE A 49 -8.458 -3.520 4.242 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.580 -3.177 2.756 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.035 -3.939 4.580 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.255 -1.734 2.440 1.00 0.00 C ATOM 0 H ILE A 49 -10.947 -3.204 4.310 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.292 -5.490 3.956 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.701 -2.630 4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.913 -3.824 2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.595 -3.393 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.346 -3.139 4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.958 -4.138 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.780 -4.841 4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.362 -1.563 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.938 -1.080 2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.230 -1.518 2.741 1.00 0.00 H new ATOM 684 N VAL A 50 -8.957 -6.357 6.255 1.00 0.00 N ATOM 685 CA VAL A 50 -8.697 -6.893 7.585 1.00 0.00 C ATOM 686 C VAL A 50 -7.201 -7.044 7.834 1.00 0.00 C ATOM 687 O VAL A 50 -6.727 -6.874 8.958 1.00 0.00 O ATOM 688 CB VAL A 50 -9.380 -8.259 7.783 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.893 -8.104 7.797 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.946 -9.233 6.698 1.00 0.00 C ATOM 0 H VAL A 50 -8.938 -7.052 5.509 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.111 -6.181 8.299 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.072 -8.663 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.357 -9.080 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.183 -7.443 8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.224 -7.678 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.438 -10.193 6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.223 -8.837 5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.865 -9.368 6.741 1.00 0.00 H new ATOM 700 N ASP A 51 -6.461 -7.364 6.778 1.00 0.00 N ATOM 701 CA ASP A 51 -5.016 -7.536 6.881 1.00 0.00 C ATOM 702 C ASP A 51 -4.292 -6.679 5.847 1.00 0.00 C ATOM 703 O ASP A 51 -4.736 -6.558 4.706 1.00 0.00 O ATOM 704 CB ASP A 51 -4.642 -9.007 6.694 1.00 0.00 C ATOM 705 CG ASP A 51 -3.247 -9.319 7.199 1.00 0.00 C ATOM 706 OD1 ASP A 51 -2.426 -8.383 7.286 1.00 0.00 O ATOM 707 OD2 ASP A 51 -2.977 -10.499 7.506 1.00 0.00 O ATOM 0 H ASP A 51 -6.837 -7.510 5.841 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.706 -7.214 7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.364 -9.632 7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.708 -9.264 5.637 1.00 0.00 H new ATOM 712 N ALA A 52 -3.175 -6.086 6.256 1.00 0.00 N ATOM 713 CA ALA A 52 -2.389 -5.241 5.365 1.00 0.00 C ATOM 714 C ALA A 52 -0.895 -5.416 5.620 1.00 0.00 C ATOM 715 O ALA A 52 -0.442 -5.375 6.764 1.00 0.00 O ATOM 716 CB ALA A 52 -2.788 -3.783 5.533 1.00 0.00 C ATOM 0 H ALA A 52 -2.794 -6.175 7.198 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.594 -5.546 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.193 -3.163 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.845 -3.665 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.612 -3.474 6.563 1.00 0.00 H new ATOM 722 N ARG A 53 -0.136 -5.611 4.547 1.00 0.00 N ATOM 723 CA ARG A 53 1.307 -5.794 4.655 1.00 0.00 C ATOM 724 C ARG A 53 2.037 -5.005 3.573 1.00 0.00 C ATOM 725 O ARG A 53 1.628 -4.998 2.412 1.00 0.00 O ATOM 726 CB ARG A 53 1.664 -7.277 4.549 1.00 0.00 C ATOM 727 CG ARG A 53 0.939 -8.152 5.559 1.00 0.00 C ATOM 728 CD ARG A 53 1.737 -8.298 6.845 1.00 0.00 C ATOM 729 NE ARG A 53 1.246 -9.396 7.673 1.00 0.00 N ATOM 730 CZ ARG A 53 1.713 -9.667 8.886 1.00 0.00 C ATOM 731 NH1 ARG A 53 2.678 -8.924 9.410 1.00 0.00 N ATOM 732 NH2 ARG A 53 1.215 -10.683 9.579 1.00 0.00 N ATOM 0 H ARG A 53 -0.496 -5.646 3.593 1.00 0.00 H new ATOM 0 HA ARG A 53 1.624 -5.420 5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.430 -7.627 3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.739 -7.394 4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.037 -7.720 5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.760 -9.137 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.786 -8.468 6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.687 -7.367 7.410 1.00 0.00 H new ATOM 0 HE ARG A 53 0.504 -9.987 7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.064 -8.142 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.035 -9.135 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.472 -11.257 9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.575 -10.890 10.511 1.00 0.00 H new ATOM 746 N PHE A 54 3.121 -4.340 3.961 1.00 0.00 N ATOM 747 CA PHE A 54 3.908 -3.547 3.024 1.00 0.00 C ATOM 748 C PHE A 54 5.377 -3.957 3.064 1.00 0.00 C ATOM 749 O PHE A 54 5.900 -4.337 4.113 1.00 0.00 O ATOM 750 CB PHE A 54 3.774 -2.057 3.347 1.00 0.00 C ATOM 751 CG PHE A 54 4.808 -1.558 4.315 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.699 -1.834 5.669 1.00 0.00 C ATOM 753 CD2 PHE A 54 5.888 -0.813 3.872 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.649 -1.377 6.563 1.00 0.00 C ATOM 755 CE2 PHE A 54 6.842 -0.353 4.762 1.00 0.00 C ATOM 756 CZ PHE A 54 6.721 -0.634 6.108 1.00 0.00 C ATOM 0 H PHE A 54 3.474 -4.335 4.918 1.00 0.00 H new ATOM 0 HA PHE A 54 3.525 -3.731 2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.848 -1.485 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.782 -1.871 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.862 -2.413 6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.987 -0.589 2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.553 -1.600 7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.681 0.226 4.404 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.463 -0.273 6.805 1.00 0.00 H new ATOM 766 N LYS A 55 6.038 -3.879 1.914 1.00 0.00 N ATOM 767 CA LYS A 55 7.447 -4.241 1.815 1.00 0.00 C ATOM 768 C LYS A 55 8.180 -3.317 0.848 1.00 0.00 C ATOM 769 O LYS A 55 8.033 -3.433 -0.369 1.00 0.00 O ATOM 770 CB LYS A 55 7.590 -5.694 1.357 1.00 0.00 C ATOM 771 CG LYS A 55 8.948 -6.299 1.669 1.00 0.00 C ATOM 772 CD LYS A 55 9.245 -6.266 3.159 1.00 0.00 C ATOM 773 CE LYS A 55 10.068 -7.470 3.590 1.00 0.00 C ATOM 774 NZ LYS A 55 9.206 -8.611 4.007 1.00 0.00 N ATOM 0 H LYS A 55 5.620 -3.568 1.037 1.00 0.00 H new ATOM 0 HA LYS A 55 7.895 -4.132 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.816 -6.295 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.417 -5.746 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.979 -7.329 1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.723 -5.753 1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.783 -5.350 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.309 -6.245 3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.712 -7.783 2.768 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.720 -7.187 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.805 -9.412 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.609 -8.321 4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.601 -8.898 3.211 1.00 0.00 H new ATOM 788 N THR A 56 8.970 -2.399 1.397 1.00 0.00 N ATOM 789 CA THR A 56 9.725 -1.456 0.583 1.00 0.00 C ATOM 790 C THR A 56 11.198 -1.846 0.513 1.00 0.00 C ATOM 791 O THR A 56 11.754 -2.383 1.471 1.00 0.00 O ATOM 792 CB THR A 56 9.611 -0.022 1.133 1.00 0.00 C ATOM 793 OG1 THR A 56 8.240 0.292 1.401 1.00 0.00 O ATOM 794 CG2 THR A 56 10.184 0.984 0.146 1.00 0.00 C ATOM 0 H THR A 56 9.103 -2.289 2.402 1.00 0.00 H new ATOM 0 HA THR A 56 9.295 -1.488 -0.418 1.00 0.00 H new ATOM 0 HB THR A 56 10.184 0.035 2.058 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.001 1.127 0.948 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.092 1.989 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.236 0.760 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.635 0.925 -0.794 1.00 0.00 H new ATOM 802 N PHE A 57 11.824 -1.571 -0.626 1.00 0.00 N ATOM 803 CA PHE A 57 13.233 -1.894 -0.821 1.00 0.00 C ATOM 804 C PHE A 57 13.957 -0.758 -1.539 1.00 0.00 C ATOM 805 O PHE A 57 13.762 -0.542 -2.734 1.00 0.00 O ATOM 806 CB PHE A 57 13.375 -3.191 -1.620 1.00 0.00 C ATOM 807 CG PHE A 57 12.800 -4.391 -0.924 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.348 -4.848 0.264 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.711 -5.062 -1.457 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.821 -5.951 0.908 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.179 -6.165 -0.817 1.00 0.00 C ATOM 812 CZ PHE A 57 11.736 -6.611 0.366 1.00 0.00 C ATOM 0 H PHE A 57 11.378 -1.125 -1.428 1.00 0.00 H new ATOM 0 HA PHE A 57 13.689 -2.029 0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.882 -3.070 -2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.431 -3.370 -1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.197 -4.336 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.273 -4.719 -2.383 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.257 -6.296 1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.329 -6.678 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.323 -7.475 0.866 1.00 0.00 H new ATOM 822 N GLY A 58 14.792 -0.036 -0.799 1.00 0.00 N ATOM 823 CA GLY A 58 15.532 1.069 -1.381 1.00 0.00 C ATOM 824 C GLY A 58 15.706 2.223 -0.414 1.00 0.00 C ATOM 825 O GLY A 58 16.191 2.040 0.703 1.00 0.00 O ATOM 0 H GLY A 58 14.970 -0.196 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.512 0.717 -1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 58 15.012 1.421 -2.272 1.00 0.00 H new ATOM 829 N CYS A 59 15.312 3.417 -0.843 1.00 0.00 N ATOM 830 CA CYS A 59 15.428 4.607 -0.009 1.00 0.00 C ATOM 831 C CYS A 59 14.392 4.590 1.111 1.00 0.00 C ATOM 832 O CYS A 59 13.317 4.008 0.968 1.00 0.00 O ATOM 833 CB CYS A 59 15.257 5.869 -0.857 1.00 0.00 C ATOM 834 SG CYS A 59 13.521 6.334 -1.157 1.00 0.00 S ATOM 0 H CYS A 59 14.909 3.586 -1.765 1.00 0.00 H new ATOM 0 HA CYS A 59 16.422 4.610 0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.764 6.698 -0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.753 5.719 -1.816 1.00 0.00 H new ATOM 0 HG CYS A 59 13.396 6.787 -2.369 1.00 0.00 H new ATOM 839 N GLY A 60 14.724 5.232 2.227 1.00 0.00 N ATOM 840 CA GLY A 60 13.813 5.278 3.356 1.00 0.00 C ATOM 841 C GLY A 60 12.484 5.917 3.002 1.00 0.00 C ATOM 842 O GLY A 60 11.426 5.335 3.239 1.00 0.00 O ATOM 0 H GLY A 60 15.608 5.721 2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.640 4.266 3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.276 5.836 4.170 1.00 0.00 H new ATOM 846 N SER A 61 12.539 7.118 2.435 1.00 0.00 N ATOM 847 CA SER A 61 11.330 7.839 2.053 1.00 0.00 C ATOM 848 C SER A 61 10.252 6.873 1.570 1.00 0.00 C ATOM 849 O SER A 61 9.061 7.101 1.781 1.00 0.00 O ATOM 850 CB SER A 61 11.644 8.859 0.958 1.00 0.00 C ATOM 851 OG SER A 61 12.597 9.809 1.403 1.00 0.00 O ATOM 0 H SER A 61 13.407 7.612 2.230 1.00 0.00 H new ATOM 0 HA SER A 61 10.956 8.364 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.024 8.344 0.076 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.729 9.370 0.660 1.00 0.00 H new ATOM 0 HG SER A 61 12.208 10.707 1.360 1.00 0.00 H new ATOM 857 N ALA A 62 10.679 5.795 0.922 1.00 0.00 N ATOM 858 CA ALA A 62 9.751 4.793 0.411 1.00 0.00 C ATOM 859 C ALA A 62 9.235 3.900 1.534 1.00 0.00 C ATOM 860 O ALA A 62 8.031 3.670 1.652 1.00 0.00 O ATOM 861 CB ALA A 62 10.421 3.955 -0.668 1.00 0.00 C ATOM 0 H ALA A 62 11.662 5.593 0.738 1.00 0.00 H new ATOM 0 HA ALA A 62 8.898 5.312 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.717 3.211 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.734 4.601 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.293 3.452 -0.249 1.00 0.00 H new ATOM 867 N ILE A 63 10.152 3.398 2.354 1.00 0.00 N ATOM 868 CA ILE A 63 9.788 2.530 3.467 1.00 0.00 C ATOM 869 C ILE A 63 8.790 3.215 4.394 1.00 0.00 C ATOM 870 O ILE A 63 7.828 2.598 4.851 1.00 0.00 O ATOM 871 CB ILE A 63 11.026 2.112 4.282 1.00 0.00 C ATOM 872 CG1 ILE A 63 11.951 1.238 3.434 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.604 1.375 5.545 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.389 1.246 3.904 1.00 0.00 C ATOM 0 H ILE A 63 11.152 3.577 2.269 1.00 0.00 H new ATOM 0 HA ILE A 63 9.329 1.640 3.037 1.00 0.00 H new ATOM 0 HB ILE A 63 11.571 3.010 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.580 0.213 3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.913 1.580 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.490 1.086 6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.980 2.028 6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.039 0.483 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 63 13.987 0.605 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.778 2.263 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.439 0.875 4.928 1.00 0.00 H new ATOM 886 N ALA A 64 9.025 4.494 4.667 1.00 0.00 N ATOM 887 CA ALA A 64 8.144 5.264 5.536 1.00 0.00 C ATOM 888 C ALA A 64 6.769 5.448 4.902 1.00 0.00 C ATOM 889 O ALA A 64 5.774 4.913 5.389 1.00 0.00 O ATOM 890 CB ALA A 64 8.766 6.616 5.854 1.00 0.00 C ATOM 0 H ALA A 64 9.818 5.019 4.299 1.00 0.00 H new ATOM 0 HA ALA A 64 8.015 4.708 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.097 7.180 6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.721 6.468 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.926 7.170 4.929 1.00 0.00 H new ATOM 896 N SER A 65 6.722 6.209 3.813 1.00 0.00 N ATOM 897 CA SER A 65 5.469 6.467 3.114 1.00 0.00 C ATOM 898 C SER A 65 4.575 5.230 3.128 1.00 0.00 C ATOM 899 O SER A 65 3.373 5.322 3.381 1.00 0.00 O ATOM 900 CB SER A 65 5.743 6.895 1.672 1.00 0.00 C ATOM 901 OG SER A 65 6.149 8.252 1.611 1.00 0.00 O ATOM 0 H SER A 65 7.538 6.658 3.396 1.00 0.00 H new ATOM 0 HA SER A 65 4.952 7.274 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.518 6.261 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.845 6.753 1.070 1.00 0.00 H new ATOM 0 HG SER A 65 7.127 8.303 1.645 1.00 0.00 H new ATOM 907 N SER A 66 5.170 4.074 2.854 1.00 0.00 N ATOM 908 CA SER A 66 4.428 2.819 2.831 1.00 0.00 C ATOM 909 C SER A 66 3.923 2.461 4.225 1.00 0.00 C ATOM 910 O SER A 66 2.718 2.437 4.474 1.00 0.00 O ATOM 911 CB SER A 66 5.310 1.691 2.290 1.00 0.00 C ATOM 912 OG SER A 66 5.889 2.048 1.047 1.00 0.00 O ATOM 0 H SER A 66 6.164 3.980 2.645 1.00 0.00 H new ATOM 0 HA SER A 66 3.568 2.946 2.174 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.097 1.464 3.009 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.715 0.785 2.171 1.00 0.00 H new ATOM 0 HG SER A 66 6.671 2.618 1.202 1.00 0.00 H new ATOM 918 N SER A 67 4.854 2.182 5.132 1.00 0.00 N ATOM 919 CA SER A 67 4.504 1.821 6.501 1.00 0.00 C ATOM 920 C SER A 67 3.308 2.633 6.988 1.00 0.00 C ATOM 921 O SER A 67 2.425 2.111 7.669 1.00 0.00 O ATOM 922 CB SER A 67 5.699 2.043 7.430 1.00 0.00 C ATOM 923 OG SER A 67 5.860 3.418 7.735 1.00 0.00 O ATOM 0 H SER A 67 5.856 2.199 4.944 1.00 0.00 H new ATOM 0 HA SER A 67 4.233 0.765 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.558 1.477 8.351 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.605 1.663 6.959 1.00 0.00 H new ATOM 0 HG SER A 67 5.831 3.942 6.908 1.00 0.00 H new ATOM 929 N LEU A 68 3.288 3.914 6.635 1.00 0.00 N ATOM 930 CA LEU A 68 2.201 4.800 7.036 1.00 0.00 C ATOM 931 C LEU A 68 0.953 4.545 6.197 1.00 0.00 C ATOM 932 O LEU A 68 -0.162 4.520 6.717 1.00 0.00 O ATOM 933 CB LEU A 68 2.631 6.262 6.898 1.00 0.00 C ATOM 934 CG LEU A 68 1.525 7.305 7.054 1.00 0.00 C ATOM 935 CD1 LEU A 68 2.092 8.609 7.594 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.821 7.538 5.725 1.00 0.00 C ATOM 0 H LEU A 68 4.012 4.362 6.072 1.00 0.00 H new ATOM 0 HA LEU A 68 1.964 4.594 8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.401 6.465 7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.091 6.393 5.919 1.00 0.00 H new ATOM 0 HG LEU A 68 0.794 6.927 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.289 9.339 7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.550 8.431 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.844 8.992 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.036 8.284 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.542 7.894 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.380 6.604 5.378 1.00 0.00 H new ATOM 948 N ALA A 69 1.149 4.354 4.896 1.00 0.00 N ATOM 949 CA ALA A 69 0.040 4.097 3.986 1.00 0.00 C ATOM 950 C ALA A 69 -0.659 2.786 4.329 1.00 0.00 C ATOM 951 O ALA A 69 -1.869 2.755 4.555 1.00 0.00 O ATOM 952 CB ALA A 69 0.533 4.073 2.547 1.00 0.00 C ATOM 0 H ALA A 69 2.066 4.373 4.449 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.684 4.905 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.306 3.880 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.980 5.036 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.278 3.286 2.431 1.00 0.00 H new ATOM 958 N THR A 70 0.111 1.702 4.367 1.00 0.00 N ATOM 959 CA THR A 70 -0.435 0.388 4.681 1.00 0.00 C ATOM 960 C THR A 70 -1.182 0.406 6.010 1.00 0.00 C ATOM 961 O THR A 70 -2.047 -0.433 6.257 1.00 0.00 O ATOM 962 CB THR A 70 0.673 -0.681 4.742 1.00 0.00 C ATOM 963 OG1 THR A 70 0.121 -1.974 4.471 1.00 0.00 O ATOM 964 CG2 THR A 70 1.345 -0.686 6.106 1.00 0.00 C ATOM 0 H THR A 70 1.114 1.709 4.184 1.00 0.00 H new ATOM 0 HA THR A 70 -1.130 0.135 3.880 1.00 0.00 H new ATOM 0 HB THR A 70 1.422 -0.441 3.987 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.832 -2.648 4.510 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.124 -1.449 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.789 0.291 6.296 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.605 -0.904 6.876 1.00 0.00 H new ATOM 972 N GLU A 71 -0.841 1.367 6.862 1.00 0.00 N ATOM 973 CA GLU A 71 -1.480 1.493 8.166 1.00 0.00 C ATOM 974 C GLU A 71 -2.811 2.231 8.051 1.00 0.00 C ATOM 975 O GLU A 71 -3.664 2.136 8.934 1.00 0.00 O ATOM 976 CB GLU A 71 -0.559 2.229 9.142 1.00 0.00 C ATOM 977 CG GLU A 71 -1.261 2.699 10.405 1.00 0.00 C ATOM 978 CD GLU A 71 -0.335 2.742 11.605 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.509 1.831 11.735 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.455 3.686 12.414 1.00 0.00 O ATOM 0 H GLU A 71 -0.126 2.069 6.673 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.672 0.490 8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.265 1.570 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.123 3.091 8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.678 3.692 10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.098 2.034 10.620 1.00 0.00 H new ATOM 987 N TRP A 72 -2.980 2.966 6.958 1.00 0.00 N ATOM 988 CA TRP A 72 -4.206 3.721 6.727 1.00 0.00 C ATOM 989 C TRP A 72 -5.277 2.840 6.094 1.00 0.00 C ATOM 990 O TRP A 72 -6.473 3.068 6.280 1.00 0.00 O ATOM 991 CB TRP A 72 -3.925 4.928 5.831 1.00 0.00 C ATOM 992 CG TRP A 72 -3.293 6.075 6.560 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.936 6.112 7.877 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.945 7.351 6.012 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.387 7.334 8.182 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.380 8.112 7.055 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.053 7.925 4.742 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.928 9.415 6.864 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.604 9.218 4.555 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -2.046 9.951 5.611 1.00 0.00 C ATOM 0 H TRP A 72 -2.284 3.055 6.218 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.574 4.072 7.691 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.271 4.621 5.015 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.860 5.263 5.382 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -3.066 5.300 8.577 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.041 7.616 9.099 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.480 7.367 3.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.499 9.983 7.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.684 9.672 3.578 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.702 10.959 5.432 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.841 1.833 5.344 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.763 0.916 4.683 1.00 0.00 C ATOM 1013 C VAL A 73 -6.400 -0.040 5.686 1.00 0.00 C ATOM 1014 O VAL A 73 -7.506 -0.537 5.471 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.053 0.098 3.589 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.361 1.019 2.596 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.059 -0.872 4.210 1.00 0.00 C ATOM 0 H VAL A 73 -3.855 1.631 5.179 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.540 1.525 4.222 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.803 -0.480 3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.865 0.422 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.100 1.669 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.622 1.627 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.566 -1.442 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.312 -0.315 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.585 -1.555 4.877 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.695 -0.294 6.783 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.190 -1.189 7.821 1.00 0.00 C ATOM 1029 C LYS A 74 -7.480 -0.652 8.433 1.00 0.00 C ATOM 1030 O LYS A 74 -7.572 0.526 8.777 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.133 -1.372 8.913 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.874 -2.072 8.430 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.794 -2.076 9.498 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.453 -2.519 8.933 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.314 -2.016 9.749 1.00 0.00 N ATOM 0 H LYS A 74 -4.778 0.108 6.976 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.401 -2.155 7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.864 -0.395 9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.565 -1.945 9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.112 -3.098 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.500 -1.574 7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.698 -1.077 9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.086 -2.742 10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.418 -3.608 8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.353 -2.159 7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.582 -2.339 9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.332 -0.976 9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.395 -2.381 10.720 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.475 -1.524 8.567 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.745 -1.119 9.138 1.00 0.00 C ATOM 1051 C GLY A 75 -10.663 -0.478 8.116 1.00 0.00 C ATOM 1052 O GLY A 75 -11.886 -0.517 8.256 1.00 0.00 O ATOM 0 H GLY A 75 -8.423 -2.504 8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.239 -1.989 9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.566 -0.417 9.952 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.074 0.114 7.083 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.845 0.767 6.032 1.00 0.00 C ATOM 1058 C LYS A 76 -11.242 -0.231 4.949 1.00 0.00 C ATOM 1059 O LYS A 76 -10.749 -1.359 4.918 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.039 1.912 5.415 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.758 3.049 6.382 1.00 0.00 C ATOM 1062 CD LYS A 76 -9.103 4.227 5.682 1.00 0.00 C ATOM 1063 CE LYS A 76 -8.747 5.332 6.665 1.00 0.00 C ATOM 1064 NZ LYS A 76 -8.163 4.789 7.923 1.00 0.00 N ATOM 0 H LYS A 76 -9.063 0.155 6.951 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.753 1.171 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.092 1.520 5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.581 2.304 4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.690 3.372 6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.110 2.694 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.202 3.891 5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.777 4.619 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.037 6.016 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.640 5.911 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.690 5.554 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.920 4.385 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.470 4.048 7.693 1.00 0.00 H new ATOM 1078 N THR A 77 -12.135 0.191 4.060 1.00 0.00 N ATOM 1079 CA THR A 77 -12.598 -0.665 2.975 1.00 0.00 C ATOM 1080 C THR A 77 -11.891 -0.327 1.667 1.00 0.00 C ATOM 1081 O THR A 77 -11.326 0.757 1.518 1.00 0.00 O ATOM 1082 CB THR A 77 -14.119 -0.540 2.770 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.451 0.792 2.361 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.868 -0.885 4.048 1.00 0.00 C ATOM 0 H THR A 77 -12.553 1.122 4.070 1.00 0.00 H new ATOM 0 HA THR A 77 -12.360 -1.690 3.259 1.00 0.00 H new ATOM 0 HB THR A 77 -14.417 -1.243 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.420 0.862 2.231 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.940 -0.789 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.637 -1.909 4.340 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.564 -0.204 4.843 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.926 -1.260 0.722 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.290 -1.060 -0.575 1.00 0.00 C ATOM 1094 C VAL A 78 -11.739 0.251 -1.210 1.00 0.00 C ATOM 1095 O VAL A 78 -10.980 0.892 -1.936 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.603 -2.219 -1.539 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -10.994 -3.516 -1.031 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.106 -2.364 -1.727 1.00 0.00 C ATOM 0 H VAL A 78 -12.388 -2.163 0.830 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.215 -1.026 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.158 -1.992 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.226 -4.323 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.913 -3.404 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.406 -3.752 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.309 -3.188 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.575 -2.568 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.512 -1.441 -2.140 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.979 0.643 -0.932 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.529 1.879 -1.477 1.00 0.00 C ATOM 1110 C GLU A 79 -12.855 3.097 -0.852 1.00 0.00 C ATOM 1111 O GLU A 79 -12.555 4.073 -1.539 1.00 0.00 O ATOM 1112 CB GLU A 79 -15.039 1.939 -1.240 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.791 0.739 -1.791 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.121 0.516 -1.099 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.923 1.471 -1.030 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.361 -0.615 -0.627 1.00 0.00 O ATOM 0 H GLU A 79 -13.621 0.123 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.337 1.890 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.227 2.014 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.434 2.846 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.960 0.880 -2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.174 -0.153 -1.681 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.622 3.031 0.455 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.986 4.129 1.172 1.00 0.00 C ATOM 1125 C GLU A 80 -10.565 4.360 0.665 1.00 0.00 C ATOM 1126 O GLU A 80 -10.173 5.491 0.379 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.961 3.840 2.675 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.338 3.596 3.270 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.120 4.878 3.478 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.913 5.537 4.518 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -14.938 5.222 2.599 1.00 0.00 O ATOM 0 H GLU A 80 -12.864 2.230 1.038 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.569 5.032 0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.335 2.967 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.495 4.680 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.901 2.934 2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.231 3.081 4.225 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.799 3.280 0.556 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.423 3.364 0.082 1.00 0.00 C ATOM 1140 C ALA A 81 -8.345 4.106 -1.247 1.00 0.00 C ATOM 1141 O ALA A 81 -7.483 4.965 -1.441 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.826 1.971 -0.053 1.00 0.00 C ATOM 0 H ALA A 81 -10.108 2.336 0.789 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.845 3.926 0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.798 2.048 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.839 1.474 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.413 1.391 -0.765 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.248 3.770 -2.162 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.281 4.405 -3.475 1.00 0.00 C ATOM 1150 C LEU A 82 -9.273 5.925 -3.345 1.00 0.00 C ATOM 1151 O LEU A 82 -8.747 6.630 -4.206 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.520 3.954 -4.250 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.326 2.767 -5.194 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -9.183 3.035 -6.161 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -10.069 1.493 -4.403 1.00 0.00 C ATOM 0 H LEU A 82 -9.967 3.061 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.388 4.101 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.300 3.698 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.887 4.799 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.241 2.634 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -9.060 2.179 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.407 3.923 -6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.262 3.195 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.933 0.659 -5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.170 1.615 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.919 1.291 -3.752 1.00 0.00 H new ATOM 1167 N THR A 83 -9.859 6.424 -2.261 1.00 0.00 N ATOM 1168 CA THR A 83 -9.919 7.860 -2.017 1.00 0.00 C ATOM 1169 C THR A 83 -8.573 8.393 -1.539 1.00 0.00 C ATOM 1170 O THR A 83 -8.186 9.513 -1.872 1.00 0.00 O ATOM 1171 CB THR A 83 -10.996 8.208 -0.972 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.482 8.002 0.348 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.241 7.358 -1.175 1.00 0.00 C ATOM 0 H THR A 83 -10.299 5.855 -1.538 1.00 0.00 H new ATOM 0 HA THR A 83 -10.178 8.331 -2.965 1.00 0.00 H new ATOM 0 HB THR A 83 -11.267 9.256 -1.097 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.658 7.079 0.627 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.988 7.621 -0.426 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.647 7.539 -2.170 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.982 6.304 -1.075 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.864 7.584 -0.759 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.561 7.975 -0.238 1.00 0.00 C ATOM 1183 C ILE A 84 -5.678 8.550 -1.340 1.00 0.00 C ATOM 1184 O ILE A 84 -5.482 7.926 -2.383 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.835 6.784 0.416 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.579 6.335 1.676 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.398 7.156 0.746 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.997 5.091 2.310 1.00 0.00 C ATOM 0 H ILE A 84 -8.170 6.654 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.741 8.740 0.517 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.821 5.954 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.565 7.145 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.624 6.151 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.898 6.304 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.874 7.432 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.390 7.999 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.574 4.831 3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.036 4.267 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.961 5.277 2.592 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.146 9.744 -1.101 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.280 10.404 -2.072 1.00 0.00 C ATOM 1202 C LYS A 85 -2.835 10.426 -1.585 1.00 0.00 C ATOM 1203 O LYS A 85 -2.559 10.156 -0.417 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.765 11.833 -2.328 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.225 11.916 -2.739 1.00 0.00 C ATOM 1206 CD LYS A 85 -7.136 12.059 -1.532 1.00 0.00 C ATOM 1207 CE LYS A 85 -7.209 13.502 -1.056 1.00 0.00 C ATOM 1208 NZ LYS A 85 -7.831 13.610 0.293 1.00 0.00 N ATOM 0 H LYS A 85 -5.299 10.275 -0.243 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.322 9.839 -3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.616 12.425 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.151 12.282 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.368 12.765 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.498 11.021 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.136 11.708 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.772 11.426 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.205 13.927 -1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.785 14.091 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.862 14.609 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.798 13.228 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.268 13.069 0.979 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.916 10.750 -2.489 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.498 10.808 -2.151 1.00 0.00 C ATOM 1224 C ASN A 86 -0.147 12.144 -1.504 1.00 0.00 C ATOM 1225 O ASN A 86 0.670 12.207 -0.586 1.00 0.00 O ATOM 1226 CB ASN A 86 0.355 10.595 -3.403 1.00 0.00 C ATOM 1227 CG ASN A 86 -0.245 11.253 -4.631 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -1.284 10.824 -5.133 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.409 12.300 -5.120 1.00 0.00 N ATOM 0 H ASN A 86 -2.128 10.976 -3.461 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.288 10.012 -1.436 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.354 10.996 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.467 9.526 -3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.054 12.784 -5.945 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.267 12.621 -4.671 1.00 0.00 H new ATOM 1236 N THR A 87 -0.772 13.213 -1.990 1.00 0.00 N ATOM 1237 CA THR A 87 -0.526 14.548 -1.460 1.00 0.00 C ATOM 1238 C THR A 87 -0.482 14.536 0.063 1.00 0.00 C ATOM 1239 O THR A 87 0.486 14.996 0.669 1.00 0.00 O ATOM 1240 CB THR A 87 -1.606 15.544 -1.923 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.882 15.162 -1.397 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.675 15.601 -3.442 1.00 0.00 C ATOM 0 H THR A 87 -1.452 13.179 -2.750 1.00 0.00 H new ATOM 0 HA THR A 87 0.442 14.867 -1.846 1.00 0.00 H new ATOM 0 HB THR A 87 -1.340 16.533 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.563 15.801 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.445 16.311 -3.745 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.711 15.920 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.919 14.613 -3.832 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.534 14.006 0.677 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.614 13.932 2.131 1.00 0.00 C ATOM 1252 C ASP A 88 -0.401 13.208 2.706 1.00 0.00 C ATOM 1253 O ASP A 88 0.263 13.713 3.612 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.898 13.218 2.557 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.083 13.592 1.688 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.459 14.783 1.678 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -4.635 12.694 1.019 1.00 0.00 O ATOM 0 H ASP A 88 -2.343 13.621 0.190 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.626 14.950 2.521 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.743 12.140 2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.120 13.464 3.595 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.118 12.024 2.175 1.00 0.00 N ATOM 1263 CA ILE A 89 1.015 11.231 2.636 1.00 0.00 C ATOM 1264 C ILE A 89 2.288 12.069 2.685 1.00 0.00 C ATOM 1265 O ILE A 89 2.879 12.258 3.748 1.00 0.00 O ATOM 1266 CB ILE A 89 1.253 10.009 1.729 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.001 9.131 1.681 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.450 9.209 2.222 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.054 8.062 0.612 1.00 0.00 C ATOM 0 H ILE A 89 -0.658 11.592 1.425 1.00 0.00 H new ATOM 0 HA ILE A 89 0.771 10.886 3.641 1.00 0.00 H new ATOM 0 HB ILE A 89 1.466 10.360 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.137 8.656 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.870 9.763 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.606 8.349 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.339 9.839 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.264 8.865 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.866 7.478 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.161 8.531 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.905 7.406 0.795 1.00 0.00 H new ATOM 1281 N ALA A 90 2.705 12.571 1.527 1.00 0.00 N ATOM 1282 CA ALA A 90 3.906 13.393 1.438 1.00 0.00 C ATOM 1283 C ALA A 90 3.968 14.399 2.582 1.00 0.00 C ATOM 1284 O ALA A 90 5.028 14.627 3.165 1.00 0.00 O ATOM 1285 CB ALA A 90 3.956 14.111 0.098 1.00 0.00 C ATOM 0 H ALA A 90 2.229 12.423 0.637 1.00 0.00 H new ATOM 0 HA ALA A 90 4.773 12.737 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.858 14.721 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.967 13.377 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.079 14.750 -0.005 1.00 0.00 H new ATOM 1291 N LYS A 91 2.826 15.000 2.898 1.00 0.00 N ATOM 1292 CA LYS A 91 2.749 15.982 3.973 1.00 0.00 C ATOM 1293 C LYS A 91 2.937 15.317 5.333 1.00 0.00 C ATOM 1294 O LYS A 91 3.654 15.830 6.191 1.00 0.00 O ATOM 1295 CB LYS A 91 1.404 16.711 3.931 1.00 0.00 C ATOM 1296 CG LYS A 91 1.307 17.865 4.914 1.00 0.00 C ATOM 1297 CD LYS A 91 -0.139 18.188 5.254 1.00 0.00 C ATOM 1298 CE LYS A 91 -0.236 19.092 6.473 1.00 0.00 C ATOM 1299 NZ LYS A 91 0.302 20.453 6.199 1.00 0.00 N ATOM 0 H LYS A 91 1.940 14.824 2.424 1.00 0.00 H new ATOM 0 HA LYS A 91 3.552 16.705 3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.236 17.089 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.607 15.998 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.849 17.614 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.788 18.747 4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.615 18.673 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.685 17.263 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.277 19.169 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.313 18.645 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.218 21.038 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.303 20.382 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.238 20.891 5.426 1.00 0.00 H new ATOM 1313 N GLU A 92 2.289 14.171 5.521 1.00 0.00 N ATOM 1314 CA GLU A 92 2.387 13.437 6.776 1.00 0.00 C ATOM 1315 C GLU A 92 3.841 13.112 7.105 1.00 0.00 C ATOM 1316 O GLU A 92 4.306 13.354 8.220 1.00 0.00 O ATOM 1317 CB GLU A 92 1.568 12.146 6.702 1.00 0.00 C ATOM 1318 CG GLU A 92 1.192 11.585 8.063 1.00 0.00 C ATOM 1319 CD GLU A 92 0.591 12.633 8.980 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.098 13.541 8.470 1.00 0.00 O ATOM 1321 OE2 GLU A 92 0.810 12.545 10.206 1.00 0.00 O ATOM 0 H GLU A 92 1.691 13.732 4.821 1.00 0.00 H new ATOM 0 HA GLU A 92 1.986 14.069 7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.658 12.335 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.137 11.395 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.480 10.771 7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.078 11.160 8.534 1.00 0.00 H new ATOM 1328 N LEU A 93 4.553 12.561 6.128 1.00 0.00 N ATOM 1329 CA LEU A 93 5.955 12.202 6.313 1.00 0.00 C ATOM 1330 C LEU A 93 6.851 13.433 6.210 1.00 0.00 C ATOM 1331 O LEU A 93 8.003 13.412 6.643 1.00 0.00 O ATOM 1332 CB LEU A 93 6.377 11.162 5.273 1.00 0.00 C ATOM 1333 CG LEU A 93 5.683 9.803 5.364 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.455 9.416 6.817 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.365 9.825 4.603 1.00 0.00 C ATOM 0 H LEU A 93 4.183 12.353 5.200 1.00 0.00 H new ATOM 0 HA LEU A 93 6.067 11.776 7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.195 11.575 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.452 11.005 5.361 1.00 0.00 H new ATOM 0 HG LEU A 93 6.331 9.055 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.960 8.446 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.413 9.358 7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.828 10.166 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.885 8.849 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.711 10.585 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.554 10.056 3.555 1.00 0.00 H new ATOM 1347 N CYS A 94 6.313 14.503 5.637 1.00 0.00 N ATOM 1348 CA CYS A 94 7.063 15.744 5.478 1.00 0.00 C ATOM 1349 C CYS A 94 8.344 15.508 4.686 1.00 0.00 C ATOM 1350 O CYS A 94 9.425 15.940 5.089 1.00 0.00 O ATOM 1351 CB CYS A 94 7.397 16.340 6.846 1.00 0.00 C ATOM 1352 SG CYS A 94 5.957 16.927 7.769 1.00 0.00 S ATOM 0 H CYS A 94 5.360 14.537 5.275 1.00 0.00 H new ATOM 0 HA CYS A 94 6.441 16.448 4.925 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.914 15.588 7.441 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.090 17.170 6.709 1.00 0.00 H new ATOM 0 HG CYS A 94 4.876 16.415 7.259 1.00 0.00 H new ATOM 1358 N LEU A 95 8.217 14.818 3.558 1.00 0.00 N ATOM 1359 CA LEU A 95 9.365 14.522 2.708 1.00 0.00 C ATOM 1360 C LEU A 95 9.648 15.677 1.753 1.00 0.00 C ATOM 1361 O LEU A 95 8.755 16.436 1.377 1.00 0.00 O ATOM 1362 CB LEU A 95 9.120 13.237 1.915 1.00 0.00 C ATOM 1363 CG LEU A 95 7.936 13.262 0.947 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.384 13.722 -0.432 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.284 11.889 0.867 1.00 0.00 C ATOM 0 H LEU A 95 7.330 14.453 3.211 1.00 0.00 H new ATOM 0 HA LEU A 95 10.235 14.385 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.022 13.006 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.969 12.421 2.621 1.00 0.00 H new ATOM 0 HG LEU A 95 7.199 13.971 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.529 13.734 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.805 14.725 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.140 13.037 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.444 11.925 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.014 11.160 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.927 11.597 1.855 1.00 0.00 H new ATOM 1377 N PRO A 96 10.920 15.813 1.349 1.00 0.00 N ATOM 1378 CA PRO A 96 11.350 16.871 0.430 1.00 0.00 C ATOM 1379 C PRO A 96 10.820 16.661 -0.984 1.00 0.00 C ATOM 1380 O PRO A 96 10.269 15.611 -1.318 1.00 0.00 O ATOM 1381 CB PRO A 96 12.876 16.760 0.451 1.00 0.00 C ATOM 1382 CG PRO A 96 13.149 15.345 0.829 1.00 0.00 C ATOM 1383 CD PRO A 96 12.036 14.944 1.757 1.00 0.00 C ATOM 0 HA PRO A 96 10.976 17.850 0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.304 16.999 -0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.313 17.453 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.173 14.703 -0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.118 15.252 1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.784 13.889 1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.307 15.102 2.801 1.00 0.00 H new ATOM 1391 N PRO A 97 10.988 17.682 -1.838 1.00 0.00 N ATOM 1392 CA PRO A 97 10.534 17.632 -3.231 1.00 0.00 C ATOM 1393 C PRO A 97 11.356 16.663 -4.074 1.00 0.00 C ATOM 1394 O PRO A 97 10.969 16.311 -5.189 1.00 0.00 O ATOM 1395 CB PRO A 97 10.734 19.068 -3.721 1.00 0.00 C ATOM 1396 CG PRO A 97 11.811 19.619 -2.851 1.00 0.00 C ATOM 1397 CD PRO A 97 11.636 18.963 -1.509 1.00 0.00 C ATOM 0 HA PRO A 97 9.506 17.278 -3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.023 19.091 -4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.816 19.649 -3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.796 19.403 -3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.730 20.703 -2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.592 18.813 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.018 19.567 -0.844 1.00 0.00 H new ATOM 1405 N VAL A 98 12.492 16.233 -3.535 1.00 0.00 N ATOM 1406 CA VAL A 98 13.368 15.303 -4.237 1.00 0.00 C ATOM 1407 C VAL A 98 12.932 13.860 -4.011 1.00 0.00 C ATOM 1408 O VAL A 98 13.124 12.999 -4.869 1.00 0.00 O ATOM 1409 CB VAL A 98 14.833 15.462 -3.787 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.946 15.319 -2.277 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.720 14.449 -4.495 1.00 0.00 C ATOM 0 H VAL A 98 12.827 16.514 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 98 13.294 15.540 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 98 15.173 16.461 -4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.988 15.434 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.342 16.086 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.589 14.334 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.751 14.575 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.383 13.440 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.662 14.604 -5.572 1.00 0.00 H new ATOM 1421 N LYS A 99 12.343 13.601 -2.848 1.00 0.00 N ATOM 1422 CA LYS A 99 11.876 12.263 -2.507 1.00 0.00 C ATOM 1423 C LYS A 99 10.372 12.138 -2.727 1.00 0.00 C ATOM 1424 O LYS A 99 9.685 11.421 -1.998 1.00 0.00 O ATOM 1425 CB LYS A 99 12.218 11.937 -1.051 1.00 0.00 C ATOM 1426 CG LYS A 99 13.693 12.091 -0.723 1.00 0.00 C ATOM 1427 CD LYS A 99 14.541 11.083 -1.481 1.00 0.00 C ATOM 1428 CE LYS A 99 16.019 11.440 -1.419 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.607 11.137 -0.085 1.00 0.00 N ATOM 0 H LYS A 99 12.178 14.302 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 99 12.381 11.552 -3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.639 12.588 -0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.911 10.914 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.018 13.101 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.844 11.962 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.388 10.089 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.218 11.044 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.559 10.887 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.146 12.500 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.615 11.394 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.109 11.684 0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.509 10.121 0.115 1.00 0.00 H new ATOM 1443 N LEU A 100 9.867 12.838 -3.736 1.00 0.00 N ATOM 1444 CA LEU A 100 8.443 12.804 -4.054 1.00 0.00 C ATOM 1445 C LEU A 100 8.051 11.458 -4.655 1.00 0.00 C ATOM 1446 O LEU A 100 7.002 10.902 -4.329 1.00 0.00 O ATOM 1447 CB LEU A 100 8.090 13.932 -5.025 1.00 0.00 C ATOM 1448 CG LEU A 100 7.712 15.271 -4.390 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.620 16.357 -5.450 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.398 15.149 -3.632 1.00 0.00 C ATOM 0 H LEU A 100 10.422 13.436 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 100 7.886 12.943 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.941 14.094 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.259 13.601 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 100 8.492 15.549 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.350 17.303 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.584 16.462 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.860 16.086 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.144 16.111 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.608 14.848 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.500 14.401 -2.846 1.00 0.00 H new ATOM 1462 N HIS A 101 8.902 10.939 -5.535 1.00 0.00 N ATOM 1463 CA HIS A 101 8.646 9.656 -6.180 1.00 0.00 C ATOM 1464 C HIS A 101 8.028 8.666 -5.197 1.00 0.00 C ATOM 1465 O HIS A 101 7.160 7.873 -5.562 1.00 0.00 O ATOM 1466 CB HIS A 101 9.942 9.082 -6.753 1.00 0.00 C ATOM 1467 CG HIS A 101 10.948 8.713 -5.707 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.797 9.630 -5.123 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.237 7.519 -5.139 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.566 9.015 -4.242 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.246 7.733 -4.232 1.00 0.00 N ATOM 0 H HIS A 101 9.774 11.387 -5.817 1.00 0.00 H new ATOM 0 HA HIS A 101 7.939 9.821 -6.993 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.707 8.199 -7.347 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.385 9.813 -7.430 1.00 0.00 H new ATOM 0 HD1 HIS A 101 11.827 10.627 -5.338 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.763 6.574 -5.358 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.327 9.481 -3.633 1.00 0.00 H new ATOM 1479 N CYS A 102 8.482 8.719 -3.949 1.00 0.00 N ATOM 1480 CA CYS A 102 7.975 7.826 -2.913 1.00 0.00 C ATOM 1481 C CYS A 102 6.497 8.091 -2.642 1.00 0.00 C ATOM 1482 O CYS A 102 5.663 7.194 -2.764 1.00 0.00 O ATOM 1483 CB CYS A 102 8.780 7.997 -1.624 1.00 0.00 C ATOM 1484 SG CYS A 102 10.467 7.352 -1.717 1.00 0.00 S ATOM 0 H CYS A 102 9.199 9.370 -3.631 1.00 0.00 H new ATOM 0 HA CYS A 102 8.083 6.801 -3.267 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.821 9.057 -1.372 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.255 7.496 -0.811 1.00 0.00 H new ATOM 0 HG CYS A 102 11.061 7.841 -2.765 1.00 0.00 H new ATOM 1490 N SER A 103 6.181 9.328 -2.273 1.00 0.00 N ATOM 1491 CA SER A 103 4.805 9.710 -1.980 1.00 0.00 C ATOM 1492 C SER A 103 3.835 9.030 -2.942 1.00 0.00 C ATOM 1493 O SER A 103 2.994 8.232 -2.531 1.00 0.00 O ATOM 1494 CB SER A 103 4.645 11.229 -2.066 1.00 0.00 C ATOM 1495 OG SER A 103 3.280 11.603 -1.998 1.00 0.00 O ATOM 0 H SER A 103 6.859 10.083 -2.170 1.00 0.00 H new ATOM 0 HA SER A 103 4.572 9.384 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.196 11.702 -1.253 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.078 11.591 -2.998 1.00 0.00 H new ATOM 0 HG SER A 103 3.142 12.431 -2.504 1.00 0.00 H new ATOM 1501 N MET A 104 3.960 9.353 -4.225 1.00 0.00 N ATOM 1502 CA MET A 104 3.096 8.773 -5.246 1.00 0.00 C ATOM 1503 C MET A 104 3.168 7.250 -5.218 1.00 0.00 C ATOM 1504 O MET A 104 2.151 6.568 -5.352 1.00 0.00 O ATOM 1505 CB MET A 104 3.492 9.288 -6.631 1.00 0.00 C ATOM 1506 CG MET A 104 4.972 9.128 -6.940 1.00 0.00 C ATOM 1507 SD MET A 104 5.485 10.068 -8.390 1.00 0.00 S ATOM 1508 CE MET A 104 5.359 11.743 -7.769 1.00 0.00 C ATOM 0 H MET A 104 4.651 10.013 -4.582 1.00 0.00 H new ATOM 0 HA MET A 104 2.070 9.075 -5.033 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.912 8.757 -7.386 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.225 10.342 -6.707 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.556 9.450 -6.078 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.194 8.073 -7.099 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.988 12.401 -8.368 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.323 12.077 -7.830 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.689 11.772 -6.731 1.00 0.00 H new ATOM 1518 N LEU A 105 4.374 6.722 -5.043 1.00 0.00 N ATOM 1519 CA LEU A 105 4.579 5.278 -4.997 1.00 0.00 C ATOM 1520 C LEU A 105 3.572 4.615 -4.062 1.00 0.00 C ATOM 1521 O LEU A 105 2.988 3.584 -4.393 1.00 0.00 O ATOM 1522 CB LEU A 105 6.003 4.959 -4.541 1.00 0.00 C ATOM 1523 CG LEU A 105 6.568 3.613 -4.997 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.672 3.564 -6.513 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.927 3.362 -4.359 1.00 0.00 C ATOM 0 H LEU A 105 5.226 7.272 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 105 4.429 4.882 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.664 5.748 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.030 4.992 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 105 5.886 2.826 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.076 2.599 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.683 3.698 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.332 4.360 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.314 2.400 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.618 4.153 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.823 3.353 -3.274 1.00 0.00 H new ATOM 1537 N ALA A 106 3.374 5.216 -2.893 1.00 0.00 N ATOM 1538 CA ALA A 106 2.435 4.687 -1.912 1.00 0.00 C ATOM 1539 C ALA A 106 1.035 4.562 -2.503 1.00 0.00 C ATOM 1540 O ALA A 106 0.459 3.475 -2.533 1.00 0.00 O ATOM 1541 CB ALA A 106 2.410 5.572 -0.674 1.00 0.00 C ATOM 0 H ALA A 106 3.851 6.069 -2.603 1.00 0.00 H new ATOM 0 HA ALA A 106 2.771 3.690 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.704 5.165 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.405 5.606 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.102 6.580 -0.953 1.00 0.00 H new ATOM 1547 N GLU A 107 0.493 5.682 -2.971 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.841 5.696 -3.560 1.00 0.00 C ATOM 1549 C GLU A 107 -0.965 4.637 -4.652 1.00 0.00 C ATOM 1550 O GLU A 107 -1.888 3.822 -4.638 1.00 0.00 O ATOM 1551 CB GLU A 107 -1.153 7.078 -4.138 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.502 7.157 -4.833 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.410 6.867 -6.318 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -2.021 5.737 -6.679 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -2.728 7.770 -7.120 1.00 0.00 O ATOM 0 H GLU A 107 0.957 6.590 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.560 5.468 -2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.124 7.814 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.372 7.351 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.187 6.447 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.925 8.151 -4.686 1.00 0.00 H new ATOM 1562 N ASP A 108 -0.030 4.656 -5.595 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.034 3.697 -6.694 1.00 0.00 C ATOM 1564 C ASP A 108 -0.165 2.270 -6.171 1.00 0.00 C ATOM 1565 O ASP A 108 -0.869 1.447 -6.754 1.00 0.00 O ATOM 1566 CB ASP A 108 1.245 3.834 -7.523 1.00 0.00 C ATOM 1567 CG ASP A 108 1.037 3.455 -8.976 1.00 0.00 C ATOM 1568 OD1 ASP A 108 -0.093 3.631 -9.479 1.00 0.00 O ATOM 1569 OD2 ASP A 108 2.003 2.982 -9.609 1.00 0.00 O ATOM 0 H ASP A 108 0.740 5.324 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.894 3.912 -7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.603 4.862 -7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.022 3.202 -7.093 1.00 0.00 H new ATOM 1574 N ALA A 109 0.520 1.985 -5.068 1.00 0.00 N ATOM 1575 CA ALA A 109 0.479 0.659 -4.465 1.00 0.00 C ATOM 1576 C ALA A 109 -0.918 0.333 -3.949 1.00 0.00 C ATOM 1577 O ALA A 109 -1.478 -0.717 -4.265 1.00 0.00 O ATOM 1578 CB ALA A 109 1.497 0.559 -3.339 1.00 0.00 C ATOM 0 H ALA A 109 1.110 2.655 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 109 0.732 -0.070 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.455 -0.437 -2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.496 0.739 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.270 1.304 -2.576 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.476 1.239 -3.152 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.808 1.047 -2.593 1.00 0.00 C ATOM 1586 C ILE A 110 -3.803 0.633 -3.672 1.00 0.00 C ATOM 1587 O ILE A 110 -4.377 -0.455 -3.619 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.318 2.325 -1.902 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.372 2.732 -0.770 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.728 2.114 -1.372 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.458 4.198 -0.408 1.00 0.00 C ATOM 0 H ILE A 110 -1.026 2.113 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.728 0.251 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.344 3.131 -2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.597 2.134 0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.348 2.497 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.074 3.026 -0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.394 1.867 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.727 1.297 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.760 4.415 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.204 4.803 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.472 4.434 -0.086 1.00 0.00 H new ATOM 1603 N LYS A 111 -4.002 1.508 -4.651 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.926 1.235 -5.746 1.00 0.00 C ATOM 1605 C LYS A 111 -4.668 -0.145 -6.343 1.00 0.00 C ATOM 1606 O LYS A 111 -5.534 -1.019 -6.305 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.793 2.305 -6.832 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.622 3.549 -6.566 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.835 4.587 -5.784 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.744 5.420 -4.892 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.895 4.819 -3.538 1.00 0.00 N ATOM 0 H LYS A 111 -3.536 2.413 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.940 1.256 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.745 2.590 -6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.091 1.878 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.951 3.978 -7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.520 3.277 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.081 4.090 -5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.304 5.241 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.338 6.427 -4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.724 5.514 -5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.691 5.270 -3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.077 3.799 -3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.022 4.967 -2.993 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.473 -0.334 -6.893 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.101 -1.609 -7.494 1.00 0.00 C ATOM 1627 C ALA A 112 -3.646 -2.778 -6.681 1.00 0.00 C ATOM 1628 O ALA A 112 -4.132 -3.761 -7.240 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.589 -1.711 -7.621 1.00 0.00 C ATOM 0 H ALA A 112 -2.746 0.380 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.542 -1.656 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.325 -2.668 -8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.221 -0.900 -8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.135 -1.638 -6.633 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.561 -2.666 -5.360 1.00 0.00 N ATOM 1636 CA ALA A 113 -4.047 -3.714 -4.471 1.00 0.00 C ATOM 1637 C ALA A 113 -5.540 -3.952 -4.668 1.00 0.00 C ATOM 1638 O ALA A 113 -5.949 -4.980 -5.209 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.754 -3.354 -3.022 1.00 0.00 C ATOM 0 H ALA A 113 -3.160 -1.860 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.523 -4.638 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.122 -4.145 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.678 -3.242 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.251 -2.417 -2.772 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.350 -2.997 -4.225 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.800 -3.103 -4.352 1.00 0.00 C ATOM 1647 C LEU A 114 -8.195 -3.495 -5.772 1.00 0.00 C ATOM 1648 O LEU A 114 -8.925 -4.463 -5.979 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.463 -1.778 -3.973 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.028 -1.166 -2.640 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.625 -2.256 -1.659 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.883 -0.186 -2.852 1.00 0.00 C ATOM 0 H LEU A 114 -6.028 -2.140 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.144 -3.882 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.263 -1.055 -4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.542 -1.930 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.873 -0.621 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.319 -1.802 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.472 -2.919 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.795 -2.829 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.586 0.240 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.035 -0.708 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.207 0.613 -3.519 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.705 -2.736 -6.747 1.00 0.00 N ATOM 1665 CA ALA A 115 -8.003 -3.007 -8.148 1.00 0.00 C ATOM 1666 C ALA A 115 -7.762 -4.474 -8.488 1.00 0.00 C ATOM 1667 O ALA A 115 -8.698 -5.211 -8.797 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.166 -2.110 -9.048 1.00 0.00 C ATOM 0 H ALA A 115 -7.100 -1.929 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.058 -2.791 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.398 -2.323 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.391 -1.066 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.108 -2.298 -8.866 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.502 -4.890 -8.428 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.138 -6.270 -8.729 1.00 0.00 C ATOM 1676 C ASP A 116 -7.116 -7.244 -8.079 1.00 0.00 C ATOM 1677 O ASP A 116 -7.579 -8.192 -8.714 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.715 -6.561 -8.251 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.359 -8.031 -8.353 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -4.981 -8.844 -7.637 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -3.458 -8.369 -9.149 1.00 0.00 O ATOM 0 H ASP A 116 -5.716 -4.292 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.184 -6.404 -9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.010 -5.978 -8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.609 -6.235 -7.216 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.424 -7.005 -6.809 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.344 -7.863 -6.072 1.00 0.00 C ATOM 1688 C TYR A 117 -9.724 -7.868 -6.721 1.00 0.00 C ATOM 1689 O TYR A 117 -10.373 -8.909 -6.822 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.454 -7.398 -4.618 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.794 -7.698 -3.986 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.032 -8.916 -3.361 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.822 -6.764 -4.013 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.255 -9.195 -2.783 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.048 -7.033 -3.436 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.260 -8.250 -2.823 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.479 -8.524 -2.246 1.00 0.00 O ATOM 0 H TYR A 117 -7.050 -6.225 -6.269 1.00 0.00 H new ATOM 0 HA TYR A 117 -7.949 -8.879 -6.094 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.670 -7.877 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.273 -6.324 -4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.247 -9.657 -3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.660 -5.811 -4.494 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.424 -10.147 -2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.836 -6.295 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.075 -7.755 -2.360 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.168 -6.695 -7.162 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.470 -6.561 -7.804 1.00 0.00 C ATOM 1709 C LYS A 118 -11.502 -7.314 -9.131 1.00 0.00 C ATOM 1710 O LYS A 118 -12.471 -8.008 -9.439 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.798 -5.085 -8.035 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.107 -4.323 -6.758 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.811 -2.840 -6.907 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.631 -2.169 -5.553 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.923 -1.667 -5.008 1.00 0.00 N ATOM 0 H LYS A 118 -9.644 -5.823 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.220 -6.994 -7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -10.956 -4.609 -8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.653 -5.012 -8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.156 -4.461 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.517 -4.732 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -10.909 -2.706 -7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.625 -2.358 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.192 -2.878 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.930 -1.340 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -12.746 -1.128 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.379 -1.050 -5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.547 -2.472 -4.797 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.437 -7.172 -9.912 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.342 -7.840 -11.205 1.00 0.00 C ATOM 1731 C LEU A 119 -10.735 -9.309 -11.089 1.00 0.00 C ATOM 1732 O LEU A 119 -11.447 -9.842 -11.941 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.921 -7.723 -11.759 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.314 -6.319 -11.756 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -7.033 -6.290 -12.577 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.314 -5.304 -12.289 1.00 0.00 C ATOM 0 H LEU A 119 -9.627 -6.600 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.034 -7.351 -11.890 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.271 -8.379 -11.180 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.920 -8.096 -12.783 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.069 -6.052 -10.728 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.615 -5.283 -12.564 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.312 -6.988 -12.151 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.253 -6.578 -13.605 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.865 -4.311 -12.279 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.591 -5.567 -13.310 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.204 -5.305 -11.660 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.268 -9.960 -10.029 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.573 -11.367 -9.798 1.00 0.00 C ATOM 1750 C LYS A 120 -12.046 -11.555 -9.452 1.00 0.00 C ATOM 1751 O LYS A 120 -12.638 -12.588 -9.762 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.699 -11.921 -8.670 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.292 -11.347 -8.653 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.289 -12.346 -8.100 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.778 -13.281 -9.186 1.00 0.00 C ATOM 1756 NZ LYS A 120 -5.876 -14.330 -8.634 1.00 0.00 N ATOM 0 H LYS A 120 -9.676 -9.535 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.361 -11.914 -10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.179 -11.713 -7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.639 -13.005 -8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.002 -11.061 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.275 -10.440 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.450 -11.812 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.755 -12.929 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.623 -13.755 -9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.245 -12.704 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.549 -14.947 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.056 -13.879 -8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.392 -14.897 -7.932 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.632 -10.549 -8.811 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.037 -10.605 -8.425 1.00 0.00 C ATOM 1772 C GLN A 121 -14.943 -10.464 -9.644 1.00 0.00 C ATOM 1773 O GLN A 121 -16.037 -11.025 -9.683 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.353 -9.505 -7.410 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.524 -9.593 -6.139 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.649 -10.940 -5.453 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.730 -11.326 -5.009 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.539 -11.664 -5.363 1.00 0.00 N ATOM 0 H GLN A 121 -12.156 -9.686 -8.548 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.223 -11.577 -7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.186 -8.534 -7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.410 -9.556 -7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.477 -9.407 -6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.837 -8.808 -5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.664 -11.305 -5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.562 -12.579 -4.912 1.00 0.00 H new