USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=28 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 -92:sc= 0.221 USER MOD Set 1.2: A 59 CYS SG : rot 106:sc= 0.00229 USER MOD Set 1.3: A 61 SER OG : rot 112:sc= 1.24 USER MOD Set 1.4: A 101 HIS : no HD1:sc= -1.6 K(o=-2.9,f=-6.4!) USER MOD Set 1.5: A 102 CYS SG : rot 12:sc= -2.76 USER MOD Set 2.1: A 37 MET CE :methyl 167:sc= -4.74! (180deg=-5.28!) USER MOD Set 2.2: A 56 THR OG1 : rot -134:sc= -0.197 USER MOD Set 2.3: A 66 SER OG : rot 82:sc= 0.119 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0833 F(o=-0.68,f=-0.083) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,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+ -130:sc= -1.99 (180deg=-4.35!) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 2.01 (180deg=1.74) USER MOD Single : A 65 SER OG : rot 180:sc= -0.8 USER MOD Single : A 67 SER OG : rot -53:sc= 1.18 USER MOD Single : A 70 THR OG1 : rot -130:sc= -0.0813 USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= 0.39 (180deg=0.298) USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= -2.78! (180deg=-4.32!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 83 THR OG1 : rot -88:sc= 1.22 USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= 1.14 (180deg=0.83) USER MOD Single : A 86 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.66) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0155) USER MOD Single : A 94 CYS SG : rot 21:sc= 1.13 USER MOD Single : A 99 LYS NZ :NH3+ -133:sc= -0.018 (180deg=-1.2) USER MOD Single : A 103 SER OG : rot -67:sc= 0.973 USER MOD Single : A 104 MET CE :methyl -120:sc= -0.0447 (180deg=-0.719) USER MOD Single : A 111 LYS NZ :NH3+ -105:sc= 1.22 (180deg=-1.22!) USER MOD Single : A 117 TYR OH : rot 180:sc=-8.28e-05 USER MOD Single : A 118 LYS NZ :NH3+ 161:sc= -0.0201 (180deg=-0.656) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0726 X(o=-0.073,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.115 -13.091 -2.576 1.00 0.00 N ATOM 282 CA ASN A 22 -9.622 -12.084 -1.650 1.00 0.00 C ATOM 283 C ASN A 22 -8.563 -11.023 -1.367 1.00 0.00 C ATOM 284 O ASN A 22 -8.879 -9.847 -1.190 1.00 0.00 O ATOM 285 CB ASN A 22 -10.064 -12.741 -0.341 1.00 0.00 C ATOM 286 CG ASN A 22 -8.973 -13.596 0.274 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.086 -12.966 1.035 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -8.929 -14.809 0.067 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.481 -11.600 -2.114 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.359 -11.968 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.944 -13.357 -0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.632 -15.251 -0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.189 -15.372 0.488 1.00 0.00 H new ATOM 295 N VAL A 23 -7.304 -11.447 -1.326 1.00 0.00 N ATOM 296 CA VAL A 23 -6.197 -10.534 -1.067 1.00 0.00 C ATOM 297 C VAL A 23 -5.460 -10.184 -2.354 1.00 0.00 C ATOM 298 O VAL A 23 -4.865 -11.049 -2.996 1.00 0.00 O ATOM 299 CB VAL A 23 -5.197 -11.135 -0.062 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.793 -12.539 -0.485 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.976 -10.239 0.075 1.00 0.00 C ATOM 0 H VAL A 23 -7.025 -12.418 -1.469 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.628 -9.628 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.682 -11.200 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.086 -12.947 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.677 -13.175 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.326 -12.502 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.280 -10.679 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.487 -10.140 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.285 -9.255 0.428 1.00 0.00 H new ATOM 311 N GLY A 24 -5.503 -8.909 -2.727 1.00 0.00 N ATOM 312 CA GLY A 24 -4.834 -8.466 -3.937 1.00 0.00 C ATOM 313 C GLY A 24 -3.355 -8.212 -3.722 1.00 0.00 C ATOM 314 O GLY A 24 -2.875 -8.212 -2.588 1.00 0.00 O ATOM 0 H GLY A 24 -5.989 -8.174 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.961 -9.219 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.308 -7.553 -4.297 1.00 0.00 H new ATOM 318 N THR A 25 -2.628 -7.995 -4.814 1.00 0.00 N ATOM 319 CA THR A 25 -1.195 -7.741 -4.740 1.00 0.00 C ATOM 320 C THR A 25 -0.800 -6.561 -5.621 1.00 0.00 C ATOM 321 O THR A 25 -0.785 -6.667 -6.847 1.00 0.00 O ATOM 322 CB THR A 25 -0.382 -8.978 -5.164 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.863 -10.139 -4.476 1.00 0.00 O ATOM 324 CG2 THR A 25 1.097 -8.782 -4.867 1.00 0.00 C ATOM 0 H THR A 25 -3.009 -7.990 -5.760 1.00 0.00 H new ATOM 0 HA THR A 25 -0.969 -7.507 -3.700 1.00 0.00 H new ATOM 0 HB THR A 25 -0.505 -9.116 -6.238 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.342 -10.922 -4.752 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.651 -9.669 -5.175 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.466 -7.915 -5.415 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.235 -8.621 -3.798 1.00 0.00 H new ATOM 332 N GLY A 26 -0.480 -5.436 -4.988 1.00 0.00 N ATOM 333 CA GLY A 26 -0.088 -4.253 -5.731 1.00 0.00 C ATOM 334 C GLY A 26 1.380 -3.918 -5.556 1.00 0.00 C ATOM 335 O GLY A 26 1.802 -3.482 -4.484 1.00 0.00 O ATOM 0 H GLY A 26 -0.485 -5.323 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.299 -4.406 -6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.692 -3.406 -5.405 1.00 0.00 H new ATOM 339 N LEU A 27 2.161 -4.123 -6.611 1.00 0.00 N ATOM 340 CA LEU A 27 3.592 -3.842 -6.569 1.00 0.00 C ATOM 341 C LEU A 27 3.931 -2.620 -7.418 1.00 0.00 C ATOM 342 O LEU A 27 3.581 -2.552 -8.596 1.00 0.00 O ATOM 343 CB LEU A 27 4.385 -5.054 -7.060 1.00 0.00 C ATOM 344 CG LEU A 27 5.897 -4.863 -7.183 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.479 -4.359 -5.871 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.567 -6.163 -7.601 1.00 0.00 C ATOM 0 H LEU A 27 1.828 -4.483 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 27 3.866 -3.632 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.198 -5.885 -6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.996 -5.347 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 27 6.088 -4.116 -7.953 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.556 -4.229 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.022 -3.404 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.277 -5.083 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.643 -6.008 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.367 -6.932 -6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.172 -6.482 -8.565 1.00 0.00 H new ATOM 358 N VAL A 28 4.618 -1.657 -6.811 1.00 0.00 N ATOM 359 CA VAL A 28 5.009 -0.439 -7.511 1.00 0.00 C ATOM 360 C VAL A 28 6.384 0.038 -7.059 1.00 0.00 C ATOM 361 O VAL A 28 6.627 0.225 -5.867 1.00 0.00 O ATOM 362 CB VAL A 28 3.986 0.690 -7.286 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.709 0.418 -8.066 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.690 0.852 -5.802 1.00 0.00 C ATOM 0 H VAL A 28 4.915 -1.697 -5.836 1.00 0.00 H new ATOM 0 HA VAL A 28 5.044 -0.682 -8.573 1.00 0.00 H new ATOM 0 HB VAL A 28 4.414 1.623 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.999 1.227 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.939 0.356 -9.130 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.273 -0.524 -7.734 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.965 1.654 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.282 -0.079 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.610 1.097 -5.272 1.00 0.00 H new ATOM 374 N GLY A 29 7.282 0.234 -8.019 1.00 0.00 N ATOM 375 CA GLY A 29 8.623 0.688 -7.700 1.00 0.00 C ATOM 376 C GLY A 29 8.999 1.954 -8.444 1.00 0.00 C ATOM 377 O GLY A 29 8.220 2.463 -9.249 1.00 0.00 O ATOM 0 H GLY A 29 7.105 0.086 -9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.698 0.865 -6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.337 -0.099 -7.944 1.00 0.00 H new ATOM 381 N ALA A 30 10.196 2.464 -8.174 1.00 0.00 N ATOM 382 CA ALA A 30 10.674 3.678 -8.824 1.00 0.00 C ATOM 383 C ALA A 30 11.740 3.359 -9.867 1.00 0.00 C ATOM 384 O ALA A 30 12.675 2.597 -9.621 1.00 0.00 O ATOM 385 CB ALA A 30 11.219 4.651 -7.790 1.00 0.00 C ATOM 0 H ALA A 30 10.853 2.055 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 30 9.831 4.143 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.572 5.553 -8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.430 4.912 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.046 4.186 -7.253 1.00 0.00 H new ATOM 391 N PRO A 31 11.597 3.953 -11.061 1.00 0.00 N ATOM 392 CA PRO A 31 12.539 3.747 -12.166 1.00 0.00 C ATOM 393 C PRO A 31 13.896 4.389 -11.898 1.00 0.00 C ATOM 394 O PRO A 31 14.935 3.743 -12.025 1.00 0.00 O ATOM 395 CB PRO A 31 11.849 4.427 -13.351 1.00 0.00 C ATOM 396 CG PRO A 31 10.961 5.453 -12.735 1.00 0.00 C ATOM 397 CD PRO A 31 10.506 4.873 -11.425 1.00 0.00 C ATOM 0 HA PRO A 31 12.752 2.691 -12.329 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.575 4.884 -14.023 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.277 3.710 -13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.495 6.391 -12.582 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.111 5.672 -13.381 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.365 5.647 -10.671 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.556 4.349 -11.526 1.00 0.00 H new ATOM 405 N ALA A 32 13.878 5.666 -11.528 1.00 0.00 N ATOM 406 CA ALA A 32 15.107 6.394 -11.240 1.00 0.00 C ATOM 407 C ALA A 32 15.738 5.914 -9.937 1.00 0.00 C ATOM 408 O ALA A 32 16.807 5.302 -9.942 1.00 0.00 O ATOM 409 CB ALA A 32 14.832 7.889 -11.175 1.00 0.00 C ATOM 0 H ALA A 32 13.026 6.217 -11.421 1.00 0.00 H new ATOM 0 HA ALA A 32 15.812 6.200 -12.048 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.759 8.420 -10.959 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.434 8.228 -12.132 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.106 8.091 -10.388 1.00 0.00 H new ATOM 415 N CYS A 33 15.071 6.195 -8.823 1.00 0.00 N ATOM 416 CA CYS A 33 15.566 5.792 -7.513 1.00 0.00 C ATOM 417 C CYS A 33 15.829 4.290 -7.468 1.00 0.00 C ATOM 418 O CYS A 33 16.803 3.837 -6.868 1.00 0.00 O ATOM 419 CB CYS A 33 14.562 6.178 -6.424 1.00 0.00 C ATOM 420 SG CYS A 33 15.257 6.184 -4.740 1.00 0.00 S ATOM 0 H CYS A 33 14.185 6.701 -8.802 1.00 0.00 H new ATOM 0 HA CYS A 33 16.506 6.313 -7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.165 7.169 -6.645 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.722 5.484 -6.456 1.00 0.00 H new ATOM 0 HG CYS A 33 15.068 5.022 -4.188 1.00 0.00 H new ATOM 425 N GLY A 34 14.953 3.522 -8.108 1.00 0.00 N ATOM 426 CA GLY A 34 15.108 2.079 -8.130 1.00 0.00 C ATOM 427 C GLY A 34 14.644 1.427 -6.843 1.00 0.00 C ATOM 428 O GLY A 34 15.447 0.862 -6.100 1.00 0.00 O ATOM 0 H GLY A 34 14.139 3.873 -8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.542 1.669 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.156 1.832 -8.302 1.00 0.00 H new ATOM 432 N ASP A 35 13.344 1.505 -6.576 1.00 0.00 N ATOM 433 CA ASP A 35 12.774 0.919 -5.369 1.00 0.00 C ATOM 434 C ASP A 35 11.713 -0.120 -5.719 1.00 0.00 C ATOM 435 O ASP A 35 11.204 -0.150 -6.840 1.00 0.00 O ATOM 436 CB ASP A 35 12.168 2.008 -4.484 1.00 0.00 C ATOM 437 CG ASP A 35 12.954 3.304 -4.539 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.160 3.253 -4.861 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.363 4.368 -4.262 1.00 0.00 O ATOM 0 H ASP A 35 12.665 1.969 -7.180 1.00 0.00 H new ATOM 0 HA ASP A 35 13.576 0.423 -4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.141 2.196 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.128 1.654 -3.454 1.00 0.00 H new ATOM 444 N VAL A 36 11.383 -0.970 -4.752 1.00 0.00 N ATOM 445 CA VAL A 36 10.382 -2.011 -4.957 1.00 0.00 C ATOM 446 C VAL A 36 9.476 -2.148 -3.740 1.00 0.00 C ATOM 447 O VAL A 36 9.870 -2.713 -2.720 1.00 0.00 O ATOM 448 CB VAL A 36 11.040 -3.372 -5.251 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.984 -4.461 -5.365 1.00 0.00 C ATOM 450 CG2 VAL A 36 11.878 -3.296 -6.518 1.00 0.00 C ATOM 0 H VAL A 36 11.794 -0.958 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 36 9.785 -1.712 -5.818 1.00 0.00 H new ATOM 0 HB VAL A 36 11.700 -3.624 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.467 -5.416 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.431 -4.531 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.297 -4.218 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.335 -4.266 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.242 -3.022 -7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.658 -2.545 -6.394 1.00 0.00 H new ATOM 460 N MET A 37 8.258 -1.629 -3.854 1.00 0.00 N ATOM 461 CA MET A 37 7.293 -1.696 -2.762 1.00 0.00 C ATOM 462 C MET A 37 6.144 -2.637 -3.109 1.00 0.00 C ATOM 463 O MET A 37 5.268 -2.297 -3.904 1.00 0.00 O ATOM 464 CB MET A 37 6.749 -0.301 -2.448 1.00 0.00 C ATOM 465 CG MET A 37 5.938 -0.240 -1.164 1.00 0.00 C ATOM 466 SD MET A 37 4.177 -0.511 -1.441 1.00 0.00 S ATOM 467 CE MET A 37 3.505 1.061 -0.905 1.00 0.00 C ATOM 0 H MET A 37 7.916 -1.157 -4.691 1.00 0.00 H new ATOM 0 HA MET A 37 7.804 -2.085 -1.881 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.583 0.397 -2.375 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.126 0.032 -3.278 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.312 -0.990 -0.467 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.082 0.733 -0.694 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.466 1.141 -1.225 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.556 1.127 0.182 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.084 1.873 -1.345 1.00 0.00 H new ATOM 477 N LYS A 38 6.153 -3.822 -2.508 1.00 0.00 N ATOM 478 CA LYS A 38 5.111 -4.812 -2.752 1.00 0.00 C ATOM 479 C LYS A 38 4.016 -4.721 -1.694 1.00 0.00 C ATOM 480 O LYS A 38 4.207 -5.135 -0.550 1.00 0.00 O ATOM 481 CB LYS A 38 5.710 -6.220 -2.762 1.00 0.00 C ATOM 482 CG LYS A 38 4.825 -7.253 -3.438 1.00 0.00 C ATOM 483 CD LYS A 38 5.592 -8.529 -3.746 1.00 0.00 C ATOM 484 CE LYS A 38 4.947 -9.305 -4.884 1.00 0.00 C ATOM 485 NZ LYS A 38 5.424 -10.715 -4.933 1.00 0.00 N ATOM 0 H LYS A 38 6.871 -4.120 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 38 4.668 -4.605 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.674 -6.192 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.899 -6.532 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.977 -7.484 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.421 -6.839 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.620 -8.282 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.633 -9.155 -2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.864 -9.292 -4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.169 -8.813 -5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.962 -11.211 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.455 -10.728 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.189 -11.192 -4.039 1.00 0.00 H new ATOM 499 N LEU A 39 2.867 -4.179 -2.084 1.00 0.00 N ATOM 500 CA LEU A 39 1.740 -4.036 -1.170 1.00 0.00 C ATOM 501 C LEU A 39 0.793 -5.227 -1.281 1.00 0.00 C ATOM 502 O LEU A 39 0.693 -5.854 -2.335 1.00 0.00 O ATOM 503 CB LEU A 39 0.983 -2.739 -1.461 1.00 0.00 C ATOM 504 CG LEU A 39 0.255 -2.106 -0.275 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.188 -1.184 0.494 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.976 -1.346 -0.749 1.00 0.00 C ATOM 0 H LEU A 39 2.692 -3.832 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 39 2.131 -4.001 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.690 -2.011 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.253 -2.936 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.069 -2.903 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.652 -0.743 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.039 -1.755 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.543 -0.392 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.482 -0.902 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.674 -0.559 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.655 -2.032 -1.255 1.00 0.00 H new ATOM 518 N GLN A 40 0.100 -5.530 -0.189 1.00 0.00 N ATOM 519 CA GLN A 40 -0.840 -6.644 -0.165 1.00 0.00 C ATOM 520 C GLN A 40 -1.896 -6.443 0.916 1.00 0.00 C ATOM 521 O GLN A 40 -1.572 -6.304 2.096 1.00 0.00 O ATOM 522 CB GLN A 40 -0.097 -7.960 0.069 1.00 0.00 C ATOM 523 CG GLN A 40 0.439 -8.592 -1.205 1.00 0.00 C ATOM 524 CD GLN A 40 1.124 -9.921 -0.954 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.352 -10.006 -0.939 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.331 -10.968 -0.756 1.00 0.00 N ATOM 0 H GLN A 40 0.172 -5.020 0.691 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.341 -6.685 -1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.733 -7.782 0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.769 -8.665 0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.382 -8.738 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.144 -7.908 -1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.682 -10.852 -0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.735 -11.888 -0.583 1.00 0.00 H new ATOM 535 N ILE A 41 -3.160 -6.428 0.506 1.00 0.00 N ATOM 536 CA ILE A 41 -4.264 -6.245 1.441 1.00 0.00 C ATOM 537 C ILE A 41 -5.261 -7.394 1.346 1.00 0.00 C ATOM 538 O ILE A 41 -5.565 -7.876 0.256 1.00 0.00 O ATOM 539 CB ILE A 41 -5.002 -4.917 1.187 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.627 -4.915 -0.210 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.049 -3.742 1.348 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.039 -5.457 -0.240 1.00 0.00 C ATOM 0 H ILE A 41 -3.445 -6.540 -0.467 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.831 -6.225 2.441 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.800 -4.816 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.629 -3.896 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.004 -5.509 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.585 -2.811 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.646 -3.736 2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.231 -3.836 0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.419 -5.426 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.041 -6.487 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.676 -4.849 0.403 1.00 0.00 H new ATOM 554 N GLN A 42 -5.768 -7.827 2.496 1.00 0.00 N ATOM 555 CA GLN A 42 -6.733 -8.919 2.543 1.00 0.00 C ATOM 556 C GLN A 42 -8.153 -8.385 2.691 1.00 0.00 C ATOM 557 O GLN A 42 -8.498 -7.783 3.708 1.00 0.00 O ATOM 558 CB GLN A 42 -6.407 -9.866 3.699 1.00 0.00 C ATOM 559 CG GLN A 42 -6.953 -11.272 3.506 1.00 0.00 C ATOM 560 CD GLN A 42 -6.776 -12.141 4.736 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.682 -12.261 5.561 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.604 -12.752 4.865 1.00 0.00 N ATOM 0 H GLN A 42 -5.526 -7.438 3.408 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.668 -9.468 1.604 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.325 -9.919 3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.812 -9.452 4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.012 -11.215 3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.450 -11.740 2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.881 -12.624 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.426 -13.349 5.673 1.00 0.00 H new ATOM 571 N VAL A 43 -8.974 -8.609 1.670 1.00 0.00 N ATOM 572 CA VAL A 43 -10.358 -8.151 1.687 1.00 0.00 C ATOM 573 C VAL A 43 -11.295 -9.250 2.176 1.00 0.00 C ATOM 574 O VAL A 43 -11.248 -10.380 1.692 1.00 0.00 O ATOM 575 CB VAL A 43 -10.813 -7.687 0.291 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.274 -7.263 0.319 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.930 -6.553 -0.208 1.00 0.00 C ATOM 0 H VAL A 43 -8.704 -9.105 0.820 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.403 -7.307 2.375 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.715 -8.524 -0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.578 -6.938 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.892 -8.106 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.401 -6.441 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.266 -6.238 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.993 -5.712 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.897 -6.896 -0.269 1.00 0.00 H new ATOM 587 N ASP A 44 -12.145 -8.910 3.139 1.00 0.00 N ATOM 588 CA ASP A 44 -13.095 -9.867 3.693 1.00 0.00 C ATOM 589 C ASP A 44 -14.336 -9.973 2.812 1.00 0.00 C ATOM 590 O ASP A 44 -14.402 -9.371 1.742 1.00 0.00 O ATOM 591 CB ASP A 44 -13.495 -9.458 5.112 1.00 0.00 C ATOM 592 CG ASP A 44 -14.679 -8.512 5.130 1.00 0.00 C ATOM 593 OD1 ASP A 44 -14.742 -7.624 4.253 1.00 0.00 O ATOM 594 OD2 ASP A 44 -15.542 -8.659 6.019 1.00 0.00 O ATOM 0 H ASP A 44 -12.195 -7.979 3.552 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.611 -10.843 3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.738 -10.350 5.689 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.646 -8.982 5.603 1.00 0.00 H new ATOM 599 N GLU A 45 -15.317 -10.745 3.271 1.00 0.00 N ATOM 600 CA GLU A 45 -16.555 -10.931 2.523 1.00 0.00 C ATOM 601 C GLU A 45 -17.316 -9.615 2.395 1.00 0.00 C ATOM 602 O GLU A 45 -17.996 -9.372 1.398 1.00 0.00 O ATOM 603 CB GLU A 45 -17.437 -11.978 3.206 1.00 0.00 C ATOM 604 CG GLU A 45 -17.978 -11.533 4.554 1.00 0.00 C ATOM 605 CD GLU A 45 -17.085 -11.948 5.708 1.00 0.00 C ATOM 606 OE1 GLU A 45 -15.923 -11.492 5.751 1.00 0.00 O ATOM 607 OE2 GLU A 45 -17.547 -12.728 6.566 1.00 0.00 O ATOM 0 H GLU A 45 -15.278 -11.251 4.156 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.296 -11.280 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.273 -12.220 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.862 -12.894 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.088 -10.449 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.972 -11.955 4.699 1.00 0.00 H new ATOM 614 N LYS A 46 -17.197 -8.768 3.411 1.00 0.00 N ATOM 615 CA LYS A 46 -17.872 -7.475 3.414 1.00 0.00 C ATOM 616 C LYS A 46 -17.183 -6.499 2.466 1.00 0.00 C ATOM 617 O LYS A 46 -17.796 -5.547 1.986 1.00 0.00 O ATOM 618 CB LYS A 46 -17.900 -6.894 4.830 1.00 0.00 C ATOM 619 CG LYS A 46 -18.648 -7.761 5.828 1.00 0.00 C ATOM 620 CD LYS A 46 -19.229 -6.931 6.961 1.00 0.00 C ATOM 621 CE LYS A 46 -20.318 -7.689 7.705 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.923 -6.868 8.790 1.00 0.00 N ATOM 0 H LYS A 46 -16.639 -8.954 4.244 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.895 -7.627 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.876 -6.756 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.363 -5.907 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.450 -8.295 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.973 -8.513 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.436 -6.656 7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.638 -6.003 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.095 -7.992 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.900 -8.601 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.660 -7.420 9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.187 -6.600 9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.345 -6.010 8.382 1.00 0.00 H new ATOM 636 N GLY A 47 -15.903 -6.744 2.199 1.00 0.00 N ATOM 637 CA GLY A 47 -15.153 -5.879 1.308 1.00 0.00 C ATOM 638 C GLY A 47 -14.301 -4.874 2.058 1.00 0.00 C ATOM 639 O GLY A 47 -13.835 -3.890 1.482 1.00 0.00 O ATOM 0 H GLY A 47 -15.373 -7.526 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.514 -6.488 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.845 -5.348 0.654 1.00 0.00 H new ATOM 643 N LYS A 48 -14.097 -5.119 3.348 1.00 0.00 N ATOM 644 CA LYS A 48 -13.296 -4.229 4.179 1.00 0.00 C ATOM 645 C LYS A 48 -11.904 -4.807 4.412 1.00 0.00 C ATOM 646 O LYS A 48 -11.759 -5.982 4.753 1.00 0.00 O ATOM 647 CB LYS A 48 -13.990 -3.988 5.521 1.00 0.00 C ATOM 648 CG LYS A 48 -13.344 -2.893 6.353 1.00 0.00 C ATOM 649 CD LYS A 48 -12.246 -3.445 7.245 1.00 0.00 C ATOM 650 CE LYS A 48 -12.808 -3.995 8.547 1.00 0.00 C ATOM 651 NZ LYS A 48 -11.922 -5.035 9.139 1.00 0.00 N ATOM 0 H LYS A 48 -14.476 -5.928 3.841 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.193 -3.279 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.033 -3.727 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.988 -4.916 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.929 -2.131 5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.102 -2.406 6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.709 -4.234 6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.523 -2.659 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.938 -3.180 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.795 -4.420 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.485 -5.877 9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.183 -5.293 8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.478 -4.662 10.003 1.00 0.00 H new ATOM 665 N ILE A 49 -10.884 -3.976 4.227 1.00 0.00 N ATOM 666 CA ILE A 49 -9.504 -4.406 4.420 1.00 0.00 C ATOM 667 C ILE A 49 -9.237 -4.759 5.879 1.00 0.00 C ATOM 668 O ILE A 49 -9.145 -3.879 6.735 1.00 0.00 O ATOM 669 CB ILE A 49 -8.508 -3.318 3.976 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.605 -3.093 2.466 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.091 -3.705 4.370 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.318 -1.668 2.047 1.00 0.00 C ATOM 0 H ILE A 49 -10.987 -3.001 3.944 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.360 -5.292 3.802 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.762 -2.386 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.905 -3.759 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.605 -3.368 2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.399 -2.926 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.033 -3.819 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.825 -4.647 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.405 -1.583 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.034 -0.998 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.308 -1.395 2.352 1.00 0.00 H new ATOM 684 N VAL A 50 -9.112 -6.053 6.156 1.00 0.00 N ATOM 685 CA VAL A 50 -8.852 -6.523 7.512 1.00 0.00 C ATOM 686 C VAL A 50 -7.354 -6.608 7.786 1.00 0.00 C ATOM 687 O VAL A 50 -6.897 -6.305 8.889 1.00 0.00 O ATOM 688 CB VAL A 50 -9.487 -7.904 7.758 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.997 -7.834 7.595 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.888 -8.940 6.819 1.00 0.00 C ATOM 0 H VAL A 50 -9.187 -6.795 5.460 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.302 -5.798 8.191 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.270 -8.207 8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.428 -8.819 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.408 -7.123 8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.239 -7.509 6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.348 -9.910 7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.072 -8.645 5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.814 -9.009 6.991 1.00 0.00 H new ATOM 700 N ASP A 51 -6.596 -7.020 6.777 1.00 0.00 N ATOM 701 CA ASP A 51 -5.149 -7.143 6.908 1.00 0.00 C ATOM 702 C ASP A 51 -4.435 -6.366 5.806 1.00 0.00 C ATOM 703 O ASP A 51 -4.964 -6.200 4.708 1.00 0.00 O ATOM 704 CB ASP A 51 -4.735 -8.615 6.862 1.00 0.00 C ATOM 705 CG ASP A 51 -3.485 -8.890 7.675 1.00 0.00 C ATOM 706 OD1 ASP A 51 -2.417 -8.346 7.324 1.00 0.00 O ATOM 707 OD2 ASP A 51 -3.574 -9.650 8.663 1.00 0.00 O ATOM 0 H ASP A 51 -6.959 -7.275 5.859 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.859 -6.722 7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.552 -9.231 7.237 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.564 -8.909 5.827 1.00 0.00 H new ATOM 712 N ALA A 52 -3.231 -5.892 6.109 1.00 0.00 N ATOM 713 CA ALA A 52 -2.444 -5.134 5.144 1.00 0.00 C ATOM 714 C ALA A 52 -0.953 -5.398 5.323 1.00 0.00 C ATOM 715 O ALA A 52 -0.477 -5.593 6.441 1.00 0.00 O ATOM 716 CB ALA A 52 -2.738 -3.647 5.276 1.00 0.00 C ATOM 0 H ALA A 52 -2.779 -6.019 7.015 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.727 -5.462 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.144 -3.093 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.797 -3.468 5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.484 -3.314 6.282 1.00 0.00 H new ATOM 722 N ARG A 53 -0.221 -5.403 4.214 1.00 0.00 N ATOM 723 CA ARG A 53 1.217 -5.645 4.249 1.00 0.00 C ATOM 724 C ARG A 53 1.970 -4.558 3.488 1.00 0.00 C ATOM 725 O ARG A 53 1.406 -3.885 2.625 1.00 0.00 O ATOM 726 CB ARG A 53 1.539 -7.017 3.652 1.00 0.00 C ATOM 727 CG ARG A 53 1.378 -8.163 4.637 1.00 0.00 C ATOM 728 CD ARG A 53 2.628 -8.348 5.484 1.00 0.00 C ATOM 729 NE ARG A 53 3.849 -8.217 4.694 1.00 0.00 N ATOM 730 CZ ARG A 53 4.284 -9.148 3.853 1.00 0.00 C ATOM 731 NH1 ARG A 53 3.600 -10.273 3.693 1.00 0.00 N ATOM 732 NH2 ARG A 53 5.404 -8.955 3.169 1.00 0.00 N ATOM 0 H ARG A 53 -0.599 -5.242 3.280 1.00 0.00 H new ATOM 0 HA ARG A 53 1.539 -5.624 5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.889 -7.192 2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.563 -7.010 3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.523 -7.970 5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.165 -9.084 4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.635 -7.610 6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.605 -9.331 5.955 1.00 0.00 H new ATOM 0 HE ARG A 53 4.398 -7.363 4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.738 -10.424 4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.936 -10.987 3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.932 -8.091 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.737 -9.671 2.523 1.00 0.00 H new ATOM 746 N PHE A 54 3.247 -4.391 3.815 1.00 0.00 N ATOM 747 CA PHE A 54 4.078 -3.385 3.164 1.00 0.00 C ATOM 748 C PHE A 54 5.541 -3.817 3.144 1.00 0.00 C ATOM 749 O PHE A 54 6.160 -4.002 4.191 1.00 0.00 O ATOM 750 CB PHE A 54 3.941 -2.039 3.880 1.00 0.00 C ATOM 751 CG PHE A 54 4.959 -1.832 4.965 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.704 -2.250 6.261 1.00 0.00 C ATOM 753 CD2 PHE A 54 6.170 -1.219 4.689 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.638 -2.061 7.262 1.00 0.00 C ATOM 755 CE2 PHE A 54 7.109 -1.028 5.685 1.00 0.00 C ATOM 756 CZ PHE A 54 6.842 -1.449 6.974 1.00 0.00 C ATOM 0 H PHE A 54 3.729 -4.939 4.527 1.00 0.00 H new ATOM 0 HA PHE A 54 3.736 -3.278 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.033 -1.236 3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.942 -1.965 4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.764 -2.729 6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.383 -0.886 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.427 -2.392 8.268 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.050 -0.550 5.456 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.573 -1.300 7.754 1.00 0.00 H new ATOM 766 N LYS A 55 6.088 -3.977 1.943 1.00 0.00 N ATOM 767 CA LYS A 55 7.478 -4.386 1.784 1.00 0.00 C ATOM 768 C LYS A 55 8.202 -3.482 0.792 1.00 0.00 C ATOM 769 O LYS A 55 8.107 -3.671 -0.421 1.00 0.00 O ATOM 770 CB LYS A 55 7.552 -5.840 1.312 1.00 0.00 C ATOM 771 CG LYS A 55 8.904 -6.490 1.551 1.00 0.00 C ATOM 772 CD LYS A 55 9.228 -6.572 3.034 1.00 0.00 C ATOM 773 CE LYS A 55 10.137 -7.752 3.341 1.00 0.00 C ATOM 774 NZ LYS A 55 11.571 -7.421 3.115 1.00 0.00 N ATOM 0 H LYS A 55 5.589 -3.829 1.066 1.00 0.00 H new ATOM 0 HA LYS A 55 7.969 -4.299 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.784 -6.419 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.323 -5.879 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.909 -7.491 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.679 -5.919 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.709 -5.648 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.304 -6.665 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.994 -8.060 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.857 -8.599 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.138 -8.292 3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.682 -6.976 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.896 -6.764 3.853 1.00 0.00 H new ATOM 788 N THR A 56 8.926 -2.497 1.315 1.00 0.00 N ATOM 789 CA THR A 56 9.666 -1.563 0.475 1.00 0.00 C ATOM 790 C THR A 56 11.132 -1.967 0.364 1.00 0.00 C ATOM 791 O THR A 56 11.700 -2.542 1.292 1.00 0.00 O ATOM 792 CB THR A 56 9.582 -0.127 1.024 1.00 0.00 C ATOM 793 OG1 THR A 56 8.213 0.235 1.243 1.00 0.00 O ATOM 794 CG2 THR A 56 10.224 0.859 0.060 1.00 0.00 C ATOM 0 H THR A 56 9.016 -2.326 2.316 1.00 0.00 H new ATOM 0 HA THR A 56 9.207 -1.594 -0.513 1.00 0.00 H new ATOM 0 HB THR A 56 10.123 -0.091 1.970 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.051 1.134 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.153 1.867 0.469 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.273 0.599 -0.082 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.707 0.819 -0.899 1.00 0.00 H new ATOM 802 N PHE A 57 11.739 -1.662 -0.778 1.00 0.00 N ATOM 803 CA PHE A 57 13.140 -1.994 -1.011 1.00 0.00 C ATOM 804 C PHE A 57 13.862 -0.845 -1.710 1.00 0.00 C ATOM 805 O PHE A 57 13.649 -0.592 -2.895 1.00 0.00 O ATOM 806 CB PHE A 57 13.251 -3.267 -1.852 1.00 0.00 C ATOM 807 CG PHE A 57 12.686 -4.483 -1.176 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.345 -5.066 -0.105 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.496 -5.044 -1.611 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.827 -6.185 0.520 1.00 0.00 C ATOM 811 CE2 PHE A 57 10.973 -6.163 -0.990 1.00 0.00 C ATOM 812 CZ PHE A 57 11.640 -6.735 0.076 1.00 0.00 C ATOM 0 H PHE A 57 11.283 -1.186 -1.556 1.00 0.00 H new ATOM 0 HA PHE A 57 13.613 -2.163 -0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.733 -3.114 -2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.300 -3.447 -2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.274 -4.641 0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.971 -4.602 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.350 -6.629 1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.044 -6.590 -1.338 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.234 -7.610 0.561 1.00 0.00 H new ATOM 822 N GLY A 58 14.718 -0.152 -0.965 1.00 0.00 N ATOM 823 CA GLY A 58 15.458 0.962 -1.528 1.00 0.00 C ATOM 824 C GLY A 58 15.626 2.103 -0.545 1.00 0.00 C ATOM 825 O GLY A 58 15.975 1.887 0.616 1.00 0.00 O ATOM 0 H GLY A 58 14.912 -0.342 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.440 0.616 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.941 1.325 -2.416 1.00 0.00 H new ATOM 829 N CYS A 59 15.377 3.324 -1.009 1.00 0.00 N ATOM 830 CA CYS A 59 15.504 4.504 -0.163 1.00 0.00 C ATOM 831 C CYS A 59 14.572 4.414 1.041 1.00 0.00 C ATOM 832 O CYS A 59 13.709 3.540 1.107 1.00 0.00 O ATOM 833 CB CYS A 59 15.195 5.769 -0.967 1.00 0.00 C ATOM 834 SG CYS A 59 13.419 6.045 -1.265 1.00 0.00 S ATOM 0 H CYS A 59 15.086 3.521 -1.967 1.00 0.00 H new ATOM 0 HA CYS A 59 16.531 4.552 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.602 6.631 -0.439 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.709 5.711 -1.927 1.00 0.00 H new ATOM 0 HG CYS A 59 12.998 7.015 -0.508 1.00 0.00 H new ATOM 839 N GLY A 60 14.753 5.324 1.993 1.00 0.00 N ATOM 840 CA GLY A 60 13.922 5.330 3.183 1.00 0.00 C ATOM 841 C GLY A 60 12.555 5.935 2.931 1.00 0.00 C ATOM 842 O GLY A 60 11.531 5.303 3.191 1.00 0.00 O ATOM 0 H GLY A 60 15.461 6.058 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.803 4.309 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.425 5.891 3.971 1.00 0.00 H new ATOM 846 N SER A 61 12.538 7.165 2.426 1.00 0.00 N ATOM 847 CA SER A 61 11.286 7.858 2.145 1.00 0.00 C ATOM 848 C SER A 61 10.226 6.883 1.641 1.00 0.00 C ATOM 849 O SER A 61 9.035 7.058 1.895 1.00 0.00 O ATOM 850 CB SER A 61 11.512 8.963 1.112 1.00 0.00 C ATOM 851 OG SER A 61 12.350 8.516 0.061 1.00 0.00 O ATOM 0 H SER A 61 13.376 7.701 2.203 1.00 0.00 H new ATOM 0 HA SER A 61 10.930 8.305 3.073 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.554 9.286 0.705 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.961 9.830 1.595 1.00 0.00 H new ATOM 0 HG SER A 61 11.830 8.451 -0.767 1.00 0.00 H new ATOM 857 N ALA A 62 10.670 5.856 0.924 1.00 0.00 N ATOM 858 CA ALA A 62 9.761 4.852 0.385 1.00 0.00 C ATOM 859 C ALA A 62 9.265 3.915 1.482 1.00 0.00 C ATOM 860 O ALA A 62 8.060 3.727 1.651 1.00 0.00 O ATOM 861 CB ALA A 62 10.446 4.059 -0.718 1.00 0.00 C ATOM 0 H ALA A 62 11.653 5.697 0.703 1.00 0.00 H new ATOM 0 HA ALA A 62 8.897 5.367 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.756 3.313 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.746 4.734 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.328 3.561 -0.314 1.00 0.00 H new ATOM 867 N ILE A 63 10.200 3.332 2.223 1.00 0.00 N ATOM 868 CA ILE A 63 9.857 2.415 3.303 1.00 0.00 C ATOM 869 C ILE A 63 8.890 3.065 4.288 1.00 0.00 C ATOM 870 O ILE A 63 7.949 2.428 4.761 1.00 0.00 O ATOM 871 CB ILE A 63 11.111 1.948 4.065 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.089 1.263 3.109 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.723 1.008 5.197 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.530 1.340 3.563 1.00 0.00 C ATOM 0 H ILE A 63 11.201 3.478 2.096 1.00 0.00 H new ATOM 0 HA ILE A 63 9.379 1.550 2.843 1.00 0.00 H new ATOM 0 HB ILE A 63 11.603 2.820 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.806 0.216 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.002 1.720 2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.620 0.686 5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.059 1.526 5.889 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.211 0.137 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.167 0.834 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.831 2.385 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.632 0.857 4.535 1.00 0.00 H new ATOM 886 N ALA A 64 9.129 4.336 4.592 1.00 0.00 N ATOM 887 CA ALA A 64 8.277 5.073 5.517 1.00 0.00 C ATOM 888 C ALA A 64 6.893 5.307 4.922 1.00 0.00 C ATOM 889 O ALA A 64 5.902 4.746 5.391 1.00 0.00 O ATOM 890 CB ALA A 64 8.925 6.399 5.888 1.00 0.00 C ATOM 0 H ALA A 64 9.905 4.877 4.211 1.00 0.00 H new ATOM 0 HA ALA A 64 8.159 4.473 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.278 6.939 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.888 6.213 6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.073 6.996 4.988 1.00 0.00 H new ATOM 896 N SER A 65 6.831 6.138 3.887 1.00 0.00 N ATOM 897 CA SER A 65 5.566 6.449 3.231 1.00 0.00 C ATOM 898 C SER A 65 4.662 5.221 3.184 1.00 0.00 C ATOM 899 O SER A 65 3.466 5.306 3.463 1.00 0.00 O ATOM 900 CB SER A 65 5.817 6.967 1.813 1.00 0.00 C ATOM 901 OG SER A 65 6.127 8.350 1.822 1.00 0.00 O ATOM 0 H SER A 65 7.642 6.608 3.484 1.00 0.00 H new ATOM 0 HA SER A 65 5.065 7.225 3.810 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.637 6.410 1.359 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.934 6.793 1.197 1.00 0.00 H new ATOM 0 HG SER A 65 6.285 8.656 0.904 1.00 0.00 H new ATOM 907 N SER A 66 5.243 4.080 2.828 1.00 0.00 N ATOM 908 CA SER A 66 4.490 2.834 2.740 1.00 0.00 C ATOM 909 C SER A 66 4.025 2.382 4.121 1.00 0.00 C ATOM 910 O SER A 66 2.831 2.207 4.359 1.00 0.00 O ATOM 911 CB SER A 66 5.345 1.742 2.094 1.00 0.00 C ATOM 912 OG SER A 66 6.003 2.227 0.936 1.00 0.00 O ATOM 0 H SER A 66 6.232 3.992 2.596 1.00 0.00 H new ATOM 0 HA SER A 66 3.611 3.012 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.083 1.382 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.716 0.892 1.829 1.00 0.00 H new ATOM 0 HG SER A 66 6.809 2.718 1.199 1.00 0.00 H new ATOM 918 N SER A 67 4.979 2.194 5.027 1.00 0.00 N ATOM 919 CA SER A 67 4.669 1.758 6.384 1.00 0.00 C ATOM 920 C SER A 67 3.455 2.502 6.929 1.00 0.00 C ATOM 921 O SER A 67 2.587 1.911 7.574 1.00 0.00 O ATOM 922 CB SER A 67 5.873 1.981 7.302 1.00 0.00 C ATOM 923 OG SER A 67 5.959 3.336 7.709 1.00 0.00 O ATOM 0 H SER A 67 5.973 2.337 4.846 1.00 0.00 H new ATOM 0 HA SER A 67 4.437 0.693 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.790 1.339 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.788 1.695 6.783 1.00 0.00 H new ATOM 0 HG SER A 67 5.946 3.916 6.919 1.00 0.00 H new ATOM 929 N LEU A 68 3.399 3.803 6.667 1.00 0.00 N ATOM 930 CA LEU A 68 2.290 4.630 7.131 1.00 0.00 C ATOM 931 C LEU A 68 1.043 4.394 6.285 1.00 0.00 C ATOM 932 O LEU A 68 -0.077 4.422 6.792 1.00 0.00 O ATOM 933 CB LEU A 68 2.678 6.109 7.085 1.00 0.00 C ATOM 934 CG LEU A 68 1.522 7.109 7.143 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.958 8.390 7.837 1.00 0.00 C ATOM 936 CD2 LEU A 68 1.005 7.408 5.744 1.00 0.00 C ATOM 0 H LEU A 68 4.108 4.308 6.136 1.00 0.00 H new ATOM 0 HA LEU A 68 2.066 4.350 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.351 6.313 7.918 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.241 6.288 6.169 1.00 0.00 H new ATOM 0 HG LEU A 68 0.712 6.665 7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.122 9.089 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.279 8.162 8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.785 8.838 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.183 8.121 5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.809 7.831 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.652 6.486 5.282 1.00 0.00 H new ATOM 948 N ALA A 69 1.247 4.159 4.993 1.00 0.00 N ATOM 949 CA ALA A 69 0.139 3.913 4.077 1.00 0.00 C ATOM 950 C ALA A 69 -0.540 2.583 4.383 1.00 0.00 C ATOM 951 O ALA A 69 -1.719 2.542 4.739 1.00 0.00 O ATOM 952 CB ALA A 69 0.629 3.940 2.637 1.00 0.00 C ATOM 0 H ALA A 69 2.169 4.134 4.557 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.596 4.706 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.208 3.755 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.061 4.916 2.418 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.385 3.168 2.496 1.00 0.00 H new ATOM 958 N THR A 70 0.209 1.494 4.241 1.00 0.00 N ATOM 959 CA THR A 70 -0.321 0.161 4.499 1.00 0.00 C ATOM 960 C THR A 70 -1.124 0.131 5.794 1.00 0.00 C ATOM 961 O THR A 70 -1.986 -0.727 5.981 1.00 0.00 O ATOM 962 CB THR A 70 0.806 -0.885 4.583 1.00 0.00 C ATOM 963 OG1 THR A 70 0.264 -2.202 4.429 1.00 0.00 O ATOM 964 CG2 THR A 70 1.539 -0.786 5.912 1.00 0.00 C ATOM 0 H THR A 70 1.186 1.509 3.948 1.00 0.00 H new ATOM 0 HA THR A 70 -0.975 -0.087 3.663 1.00 0.00 H new ATOM 0 HB THR A 70 1.515 -0.687 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.593 -2.778 5.151 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.330 -1.535 5.948 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.975 0.208 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.838 -0.960 6.728 1.00 0.00 H new ATOM 972 N GLU A 71 -0.837 1.075 6.686 1.00 0.00 N ATOM 973 CA GLU A 71 -1.533 1.155 7.964 1.00 0.00 C ATOM 974 C GLU A 71 -2.852 1.909 7.819 1.00 0.00 C ATOM 975 O GLU A 71 -3.833 1.603 8.497 1.00 0.00 O ATOM 976 CB GLU A 71 -0.652 1.842 9.009 1.00 0.00 C ATOM 977 CG GLU A 71 -1.397 2.227 10.276 1.00 0.00 C ATOM 978 CD GLU A 71 -1.531 1.070 11.248 1.00 0.00 C ATOM 979 OE1 GLU A 71 -1.575 -0.089 10.786 1.00 0.00 O ATOM 980 OE2 GLU A 71 -1.592 1.325 12.469 1.00 0.00 O ATOM 0 H GLU A 71 -0.127 1.794 6.546 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.749 0.139 8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.172 1.178 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.213 2.738 8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.874 3.049 10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.390 2.592 10.013 1.00 0.00 H new ATOM 987 N TRP A 72 -2.866 2.898 6.932 1.00 0.00 N ATOM 988 CA TRP A 72 -4.063 3.697 6.698 1.00 0.00 C ATOM 989 C TRP A 72 -5.164 2.856 6.062 1.00 0.00 C ATOM 990 O TRP A 72 -6.337 2.984 6.412 1.00 0.00 O ATOM 991 CB TRP A 72 -3.735 4.893 5.802 1.00 0.00 C ATOM 992 CG TRP A 72 -3.107 6.035 6.541 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.671 6.033 7.835 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.848 7.348 6.030 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.156 7.265 8.159 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.252 8.089 7.069 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.059 7.968 4.796 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.868 9.417 6.909 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.677 9.286 4.639 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -2.086 10.000 5.691 1.00 0.00 C ATOM 0 H TRP A 72 -2.062 3.165 6.364 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.421 4.061 7.661 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.062 4.569 5.008 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.650 5.240 5.322 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.723 5.188 8.505 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.765 7.524 9.065 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.513 7.426 3.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.413 9.968 7.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.836 9.775 3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.798 11.029 5.537 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.779 1.995 5.126 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.734 1.131 4.443 1.00 0.00 C ATOM 1013 C VAL A 73 -6.402 0.169 5.419 1.00 0.00 C ATOM 1014 O VAL A 73 -7.527 -0.277 5.196 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.055 0.319 3.323 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.369 1.247 2.332 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.064 -0.674 3.911 1.00 0.00 C ATOM 0 H VAL A 73 -3.812 1.877 4.823 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.490 1.781 4.004 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.822 -0.242 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.895 0.656 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.107 1.914 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.612 1.837 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.594 -1.239 3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.299 -0.136 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.588 -1.359 4.577 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.701 -0.146 6.503 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.226 -1.054 7.516 1.00 0.00 C ATOM 1029 C LYS A 74 -7.456 -0.459 8.195 1.00 0.00 C ATOM 1030 O LYS A 74 -7.441 0.692 8.629 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.151 -1.360 8.562 1.00 0.00 C ATOM 1032 CG LYS A 74 -4.015 -2.218 8.033 1.00 0.00 C ATOM 1033 CD LYS A 74 -3.002 -2.535 9.120 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.624 -2.804 8.537 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.555 -2.698 9.568 1.00 0.00 N ATOM 0 H LYS A 74 -4.768 0.214 6.703 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.518 -1.981 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.742 -0.421 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.614 -1.866 9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.417 -3.146 7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.519 -1.700 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.945 -1.702 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.335 -3.405 9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.605 -3.800 8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.425 -2.095 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.372 -2.634 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.712 -1.847 10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.578 -3.539 10.179 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.519 -1.253 8.285 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.741 -0.787 8.913 1.00 0.00 C ATOM 1051 C GLY A 75 -10.702 -0.163 7.921 1.00 0.00 C ATOM 1052 O GLY A 75 -11.914 -0.159 8.137 1.00 0.00 O ATOM 0 H GLY A 75 -8.555 -2.210 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.231 -1.623 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.494 -0.057 9.683 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.161 0.368 6.830 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.978 0.998 5.799 1.00 0.00 C ATOM 1058 C LYS A 76 -11.326 0.004 4.697 1.00 0.00 C ATOM 1059 O LYS A 76 -10.767 -1.092 4.635 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.244 2.201 5.203 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.836 3.238 6.235 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.649 4.061 5.762 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.098 5.310 5.020 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.174 5.085 3.550 1.00 0.00 N ATOM 0 H LYS A 76 -9.160 0.375 6.637 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.904 1.338 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.354 1.850 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.884 2.674 4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.678 3.898 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.585 2.741 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.037 4.345 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.021 3.454 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.075 5.621 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.404 6.125 5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.812 5.787 3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.226 5.182 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.537 4.128 3.364 1.00 0.00 H new ATOM 1078 N THR A 77 -12.252 0.393 3.826 1.00 0.00 N ATOM 1079 CA THR A 77 -12.674 -0.464 2.725 1.00 0.00 C ATOM 1080 C THR A 77 -11.901 -0.144 1.451 1.00 0.00 C ATOM 1081 O THR A 77 -11.293 0.921 1.332 1.00 0.00 O ATOM 1082 CB THR A 77 -14.182 -0.319 2.447 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.486 1.033 2.087 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.999 -0.720 3.666 1.00 0.00 C ATOM 0 H THR A 77 -12.724 1.296 3.862 1.00 0.00 H new ATOM 0 HA THR A 77 -12.464 -1.491 3.025 1.00 0.00 H new ATOM 0 HB THR A 77 -14.442 -0.982 1.622 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.446 1.116 1.910 1.00 0.00 H new ATOM 0 HG21 THR A 77 -16.061 -0.609 3.445 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.788 -1.759 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.735 -0.080 4.508 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.928 -1.071 0.499 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.231 -0.886 -0.768 1.00 0.00 C ATOM 1094 C VAL A 78 -11.605 0.444 -1.413 1.00 0.00 C ATOM 1095 O VAL A 78 -10.779 1.084 -2.062 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.544 -2.028 -1.753 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.053 -3.358 -1.204 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.036 -2.082 -2.048 1.00 0.00 C ATOM 0 H VAL A 78 -12.425 -1.958 0.581 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.164 -0.891 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.018 -1.832 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.283 -4.152 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.975 -3.312 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.548 -3.565 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.240 -2.894 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.584 -2.253 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.354 -1.137 -2.489 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.856 0.854 -1.227 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.339 2.109 -1.792 1.00 0.00 C ATOM 1110 C GLU A 79 -12.637 3.301 -1.149 1.00 0.00 C ATOM 1111 O GLU A 79 -12.261 4.254 -1.830 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.852 2.230 -1.600 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.632 1.046 -2.146 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.068 1.017 -1.657 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.697 2.094 -1.601 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.561 -0.083 -1.332 1.00 0.00 O ATOM 0 H GLU A 79 -13.552 0.337 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.113 2.109 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.067 2.337 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.200 3.140 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.624 1.082 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.134 0.122 -1.854 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.464 3.239 0.168 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.808 4.314 0.903 1.00 0.00 C ATOM 1125 C GLU A 80 -10.371 4.502 0.425 1.00 0.00 C ATOM 1126 O GLU A 80 -9.950 5.616 0.115 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.823 4.019 2.404 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.219 3.832 2.974 1.00 0.00 C ATOM 1129 CD GLU A 80 -13.992 5.134 3.064 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -14.634 5.512 2.063 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -13.953 5.774 4.136 1.00 0.00 O ATOM 0 H GLU A 80 -12.769 2.456 0.747 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.359 5.236 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.238 3.119 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.331 4.836 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.771 3.129 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.146 3.388 3.967 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.624 3.405 0.369 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.236 3.447 -0.073 1.00 0.00 C ATOM 1140 C ALA A 81 -8.112 4.128 -1.432 1.00 0.00 C ATOM 1141 O ALA A 81 -7.161 4.870 -1.682 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.656 2.042 -0.130 1.00 0.00 C ATOM 0 H ALA A 81 -9.957 2.475 0.624 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.669 4.033 0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.619 2.090 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.700 1.590 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.233 1.438 -0.830 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.078 3.872 -2.306 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.078 4.460 -3.641 1.00 0.00 C ATOM 1150 C LEU A 82 -9.119 5.983 -3.566 1.00 0.00 C ATOM 1151 O LEU A 82 -8.754 6.673 -4.518 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.271 3.945 -4.448 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.010 2.723 -5.328 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.885 3.005 -6.313 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.679 1.509 -4.472 1.00 0.00 C ATOM 0 H LEU A 82 -9.872 3.261 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.155 4.164 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.076 3.702 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.631 4.755 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.916 2.507 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.713 2.124 -6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.161 3.846 -6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.974 3.247 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.496 0.649 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.788 1.714 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.516 1.293 -3.807 1.00 0.00 H new ATOM 1167 N THR A 83 -9.564 6.502 -2.425 1.00 0.00 N ATOM 1168 CA THR A 83 -9.652 7.942 -2.224 1.00 0.00 C ATOM 1169 C THR A 83 -8.345 8.502 -1.674 1.00 0.00 C ATOM 1170 O THR A 83 -7.992 9.652 -1.936 1.00 0.00 O ATOM 1171 CB THR A 83 -10.799 8.306 -1.262 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.400 8.060 0.091 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.050 7.502 -1.582 1.00 0.00 C ATOM 0 H THR A 83 -9.869 5.945 -1.626 1.00 0.00 H new ATOM 0 HA THR A 83 -9.851 8.385 -3.200 1.00 0.00 H new ATOM 0 HB THR A 83 -11.026 9.365 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.610 7.133 0.331 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.846 7.776 -0.890 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.368 7.714 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.834 6.438 -1.483 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.631 7.682 -0.910 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.362 8.095 -0.324 1.00 0.00 C ATOM 1183 C ILE A 84 -5.476 8.779 -1.359 1.00 0.00 C ATOM 1184 O ILE A 84 -5.087 8.173 -2.358 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.602 6.897 0.274 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.413 6.264 1.407 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.234 7.335 0.776 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.747 5.055 2.025 1.00 0.00 C ATOM 0 H ILE A 84 -7.910 6.728 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.597 8.800 0.473 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.459 6.150 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.583 7.011 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.391 5.974 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.709 6.477 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.656 7.744 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.356 8.098 1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.378 4.659 2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.601 4.290 1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.781 5.344 2.438 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.158 10.046 -1.113 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.315 10.814 -2.022 1.00 0.00 C ATOM 1202 C LYS A 85 -2.875 10.860 -1.519 1.00 0.00 C ATOM 1203 O LYS A 85 -2.627 10.815 -0.315 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.858 12.236 -2.175 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.249 12.293 -2.784 1.00 0.00 C ATOM 1206 CD LYS A 85 -7.031 13.492 -2.274 1.00 0.00 C ATOM 1207 CE LYS A 85 -8.531 13.270 -2.393 1.00 0.00 C ATOM 1208 NZ LYS A 85 -9.012 12.218 -1.455 1.00 0.00 N ATOM 0 H LYS A 85 -5.472 10.563 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.327 10.321 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.879 12.715 -1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.174 12.812 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.170 12.344 -3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.789 11.377 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.771 13.681 -1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.747 14.380 -2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.054 14.205 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.776 12.984 -3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.049 12.258 -1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.722 11.282 -1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.601 12.378 -0.513 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.931 10.951 -2.450 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.516 11.005 -2.101 1.00 0.00 C ATOM 1224 C ASN A 86 -0.198 12.270 -1.311 1.00 0.00 C ATOM 1225 O ASN A 86 0.613 12.251 -0.384 1.00 0.00 O ATOM 1226 CB ASN A 86 0.345 10.949 -3.364 1.00 0.00 C ATOM 1227 CG ASN A 86 0.059 12.099 -4.310 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -0.879 12.045 -5.106 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.868 13.149 -4.227 1.00 0.00 N ATOM 0 H ASN A 86 -2.120 10.989 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.289 10.141 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.398 10.966 -3.084 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.168 10.005 -3.880 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.724 13.953 -4.838 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.633 13.151 -3.553 1.00 0.00 H new ATOM 1236 N THR A 87 -0.843 13.372 -1.683 1.00 0.00 N ATOM 1237 CA THR A 87 -0.629 14.647 -1.010 1.00 0.00 C ATOM 1238 C THR A 87 -0.619 14.475 0.504 1.00 0.00 C ATOM 1239 O THR A 87 0.311 14.910 1.182 1.00 0.00 O ATOM 1240 CB THR A 87 -1.714 15.672 -1.392 1.00 0.00 C ATOM 1241 OG1 THR A 87 -3.008 15.168 -1.044 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.667 15.980 -2.881 1.00 0.00 C ATOM 0 H THR A 87 -1.518 13.407 -2.447 1.00 0.00 H new ATOM 0 HA THR A 87 0.343 15.018 -1.337 1.00 0.00 H new ATOM 0 HB THR A 87 -1.523 16.593 -0.841 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.692 15.826 -1.288 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.442 16.706 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.690 16.391 -3.137 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.835 15.064 -3.447 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.660 13.836 1.029 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.769 13.605 2.465 1.00 0.00 C ATOM 1252 C ASP A 88 -0.489 12.985 3.015 1.00 0.00 C ATOM 1253 O ASP A 88 0.110 13.506 3.956 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.961 12.695 2.766 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.258 13.468 2.908 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.255 14.511 3.595 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -5.275 13.030 2.332 1.00 0.00 O ATOM 0 H ASP A 88 -2.439 13.469 0.482 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.923 14.568 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.065 11.961 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.769 12.141 3.685 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.075 11.870 2.422 1.00 0.00 N ATOM 1263 CA ILE A 89 1.134 11.180 2.853 1.00 0.00 C ATOM 1264 C ILE A 89 2.335 12.119 2.847 1.00 0.00 C ATOM 1265 O ILE A 89 2.950 12.365 3.885 1.00 0.00 O ATOM 1266 CB ILE A 89 1.441 9.967 1.955 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.245 9.013 1.924 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.688 9.246 2.445 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.327 7.977 0.825 1.00 0.00 C ATOM 0 H ILE A 89 -0.559 11.426 1.642 1.00 0.00 H new ATOM 0 HA ILE A 89 0.953 10.832 3.870 1.00 0.00 H new ATOM 0 HB ILE A 89 1.626 10.322 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.170 8.506 2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.669 9.593 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.891 8.391 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.537 9.929 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.530 8.900 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.553 7.336 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.371 8.476 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.223 7.372 0.962 1.00 0.00 H new ATOM 1281 N ALA A 90 2.663 12.644 1.671 1.00 0.00 N ATOM 1282 CA ALA A 90 3.788 13.560 1.529 1.00 0.00 C ATOM 1283 C ALA A 90 3.843 14.546 2.691 1.00 0.00 C ATOM 1284 O ALA A 90 4.896 14.756 3.293 1.00 0.00 O ATOM 1285 CB ALA A 90 3.699 14.305 0.206 1.00 0.00 C ATOM 0 H ALA A 90 2.165 12.450 0.802 1.00 0.00 H new ATOM 0 HA ALA A 90 4.706 12.973 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.546 14.985 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.717 13.590 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.770 14.875 0.171 1.00 0.00 H new ATOM 1291 N LYS A 91 2.700 15.150 3.002 1.00 0.00 N ATOM 1292 CA LYS A 91 2.617 16.114 4.093 1.00 0.00 C ATOM 1293 C LYS A 91 2.870 15.439 5.437 1.00 0.00 C ATOM 1294 O LYS A 91 3.781 15.821 6.171 1.00 0.00 O ATOM 1295 CB LYS A 91 1.243 16.788 4.100 1.00 0.00 C ATOM 1296 CG LYS A 91 1.097 17.859 5.167 1.00 0.00 C ATOM 1297 CD LYS A 91 0.556 17.283 6.465 1.00 0.00 C ATOM 1298 CE LYS A 91 0.840 18.202 7.643 1.00 0.00 C ATOM 1299 NZ LYS A 91 0.181 19.528 7.485 1.00 0.00 N ATOM 0 H LYS A 91 1.819 14.989 2.514 1.00 0.00 H new ATOM 0 HA LYS A 91 3.386 16.870 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.061 17.234 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.476 16.029 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.065 18.325 5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.429 18.642 4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.519 17.127 6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.006 16.307 6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.492 17.731 8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.916 18.341 7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.314 20.087 8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.604 20.032 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.836 19.392 7.313 1.00 0.00 H new ATOM 1313 N GLU A 92 2.060 14.433 5.751 1.00 0.00 N ATOM 1314 CA GLU A 92 2.198 13.705 7.007 1.00 0.00 C ATOM 1315 C GLU A 92 3.669 13.459 7.334 1.00 0.00 C ATOM 1316 O GLU A 92 4.137 13.789 8.424 1.00 0.00 O ATOM 1317 CB GLU A 92 1.451 12.372 6.934 1.00 0.00 C ATOM 1318 CG GLU A 92 1.099 11.797 8.296 1.00 0.00 C ATOM 1319 CD GLU A 92 0.481 12.826 9.222 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.747 13.037 9.138 1.00 0.00 O ATOM 1321 OE2 GLU A 92 1.225 13.421 10.029 1.00 0.00 O ATOM 0 H GLU A 92 1.302 14.104 5.153 1.00 0.00 H new ATOM 0 HA GLU A 92 1.764 14.314 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.535 12.509 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.063 11.651 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.405 10.966 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.999 11.392 8.759 1.00 0.00 H new ATOM 1328 N LEU A 93 4.391 12.878 6.383 1.00 0.00 N ATOM 1329 CA LEU A 93 5.808 12.587 6.569 1.00 0.00 C ATOM 1330 C LEU A 93 6.651 13.846 6.391 1.00 0.00 C ATOM 1331 O LEU A 93 7.777 13.926 6.883 1.00 0.00 O ATOM 1332 CB LEU A 93 6.262 11.512 5.580 1.00 0.00 C ATOM 1333 CG LEU A 93 5.731 10.100 5.832 1.00 0.00 C ATOM 1334 CD1 LEU A 93 4.212 10.084 5.776 1.00 0.00 C ATOM 1335 CD2 LEU A 93 6.315 9.123 4.822 1.00 0.00 C ATOM 0 H LEU A 93 4.019 12.599 5.475 1.00 0.00 H new ATOM 0 HA LEU A 93 5.947 12.219 7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.961 11.818 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.351 11.476 5.589 1.00 0.00 H new ATOM 0 HG LEU A 93 6.040 9.788 6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.852 9.071 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.813 10.753 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.881 10.416 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.926 8.123 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.036 9.431 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.401 9.114 4.911 1.00 0.00 H new ATOM 1347 N CYS A 94 6.097 14.828 5.689 1.00 0.00 N ATOM 1348 CA CYS A 94 6.797 16.084 5.448 1.00 0.00 C ATOM 1349 C CYS A 94 8.095 15.846 4.683 1.00 0.00 C ATOM 1350 O CYS A 94 9.144 16.386 5.036 1.00 0.00 O ATOM 1351 CB CYS A 94 7.093 16.790 6.772 1.00 0.00 C ATOM 1352 SG CYS A 94 5.620 17.387 7.635 1.00 0.00 S ATOM 0 H CYS A 94 5.165 14.779 5.277 1.00 0.00 H new ATOM 0 HA CYS A 94 6.151 16.720 4.842 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.631 16.103 7.426 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.756 17.634 6.581 1.00 0.00 H new ATOM 0 HG CYS A 94 4.577 16.732 7.218 1.00 0.00 H new ATOM 1358 N LEU A 95 8.017 15.033 3.635 1.00 0.00 N ATOM 1359 CA LEU A 95 9.187 14.721 2.821 1.00 0.00 C ATOM 1360 C LEU A 95 9.472 15.841 1.826 1.00 0.00 C ATOM 1361 O LEU A 95 8.580 16.587 1.421 1.00 0.00 O ATOM 1362 CB LEU A 95 8.976 13.402 2.075 1.00 0.00 C ATOM 1363 CG LEU A 95 7.754 13.337 1.158 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.102 13.847 -0.232 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.214 11.916 1.088 1.00 0.00 C ATOM 0 H LEU A 95 7.157 14.578 3.329 1.00 0.00 H new ATOM 0 HA LEU A 95 10.046 14.623 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.865 13.200 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.897 12.601 2.810 1.00 0.00 H new ATOM 0 HG LEU A 95 6.977 13.979 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.220 13.793 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.440 14.881 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.896 13.233 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.345 11.889 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.985 11.253 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.925 11.587 2.086 1.00 0.00 H new ATOM 1377 N PRO A 96 10.744 15.963 1.420 1.00 0.00 N ATOM 1378 CA PRO A 96 11.176 16.987 0.465 1.00 0.00 C ATOM 1379 C PRO A 96 10.650 16.727 -0.942 1.00 0.00 C ATOM 1380 O PRO A 96 10.097 15.668 -1.238 1.00 0.00 O ATOM 1381 CB PRO A 96 12.703 16.878 0.494 1.00 0.00 C ATOM 1382 CG PRO A 96 12.974 15.477 0.923 1.00 0.00 C ATOM 1383 CD PRO A 96 11.860 15.109 1.862 1.00 0.00 C ATOM 0 HA PRO A 96 10.800 17.975 0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.133 17.082 -0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.138 17.596 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.000 14.804 0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.942 15.401 1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.608 14.051 1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.129 15.304 2.900 1.00 0.00 H new ATOM 1391 N PRO A 97 10.825 17.715 -1.832 1.00 0.00 N ATOM 1392 CA PRO A 97 10.375 17.615 -3.224 1.00 0.00 C ATOM 1393 C PRO A 97 11.195 16.613 -4.028 1.00 0.00 C ATOM 1394 O PRO A 97 10.814 16.228 -5.134 1.00 0.00 O ATOM 1395 CB PRO A 97 10.581 19.032 -3.766 1.00 0.00 C ATOM 1396 CG PRO A 97 11.658 19.610 -2.913 1.00 0.00 C ATOM 1397 CD PRO A 97 11.476 19.005 -1.549 1.00 0.00 C ATOM 0 HA PRO A 97 9.346 17.262 -3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.873 19.016 -4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.665 19.619 -3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.643 19.375 -3.316 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.582 20.697 -2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.430 18.870 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.858 19.635 -0.909 1.00 0.00 H new ATOM 1405 N VAL A 98 12.324 16.192 -3.466 1.00 0.00 N ATOM 1406 CA VAL A 98 13.197 15.232 -4.130 1.00 0.00 C ATOM 1407 C VAL A 98 12.758 13.800 -3.846 1.00 0.00 C ATOM 1408 O VAL A 98 13.005 12.894 -4.641 1.00 0.00 O ATOM 1409 CB VAL A 98 14.662 15.406 -3.686 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.807 15.119 -2.199 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.576 14.505 -4.503 1.00 0.00 C ATOM 0 H VAL A 98 12.655 16.501 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 98 13.123 15.425 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 98 14.957 16.440 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.848 15.247 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.182 15.809 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.495 14.095 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.607 14.640 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.284 13.465 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.493 14.763 -5.559 1.00 0.00 H new ATOM 1421 N LYS A 99 12.104 13.603 -2.706 1.00 0.00 N ATOM 1422 CA LYS A 99 11.628 12.282 -2.315 1.00 0.00 C ATOM 1423 C LYS A 99 10.141 12.128 -2.620 1.00 0.00 C ATOM 1424 O LYS A 99 9.446 11.331 -1.988 1.00 0.00 O ATOM 1425 CB LYS A 99 11.880 12.046 -0.824 1.00 0.00 C ATOM 1426 CG LYS A 99 13.349 12.101 -0.440 1.00 0.00 C ATOM 1427 CD LYS A 99 14.110 10.901 -0.976 1.00 0.00 C ATOM 1428 CE LYS A 99 15.600 11.190 -1.086 1.00 0.00 C ATOM 1429 NZ LYS A 99 15.958 11.751 -2.418 1.00 0.00 N ATOM 0 H LYS A 99 11.892 14.343 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 99 12.179 11.539 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.334 12.794 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.476 11.073 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.793 13.018 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.441 12.136 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.952 10.045 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.718 10.628 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.893 11.892 -0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.162 10.272 -0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.792 11.255 -2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.160 11.627 -3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.172 12.764 -2.322 1.00 0.00 H new ATOM 1443 N LEU A 100 9.659 12.893 -3.593 1.00 0.00 N ATOM 1444 CA LEU A 100 8.255 12.840 -3.984 1.00 0.00 C ATOM 1445 C LEU A 100 7.904 11.478 -4.574 1.00 0.00 C ATOM 1446 O LEU A 100 6.890 10.878 -4.218 1.00 0.00 O ATOM 1447 CB LEU A 100 7.945 13.943 -4.998 1.00 0.00 C ATOM 1448 CG LEU A 100 7.527 15.293 -4.414 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.554 16.370 -5.488 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.143 15.197 -3.787 1.00 0.00 C ATOM 0 H LEU A 100 10.220 13.558 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 100 7.649 12.995 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.827 14.096 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.149 13.592 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 100 8.239 15.567 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.254 17.324 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.563 16.456 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.865 16.103 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.862 16.167 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.419 14.901 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.156 14.455 -2.989 1.00 0.00 H new ATOM 1462 N HIS A 101 8.752 10.994 -5.476 1.00 0.00 N ATOM 1463 CA HIS A 101 8.533 9.700 -6.114 1.00 0.00 C ATOM 1464 C HIS A 101 7.959 8.695 -5.121 1.00 0.00 C ATOM 1465 O HIS A 101 7.143 7.846 -5.483 1.00 0.00 O ATOM 1466 CB HIS A 101 9.842 9.168 -6.697 1.00 0.00 C ATOM 1467 CG HIS A 101 10.823 8.721 -5.658 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.477 9.595 -4.814 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.260 7.483 -5.326 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.274 8.914 -4.010 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.161 7.630 -4.300 1.00 0.00 N ATOM 0 H HIS A 101 9.596 11.478 -5.782 1.00 0.00 H new ATOM 0 HA HIS A 101 7.814 9.837 -6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.621 8.331 -7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.301 9.946 -7.307 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.956 6.553 -5.783 1.00 0.00 H new ATOM 0 HE1 HIS A 101 12.910 9.335 -3.245 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.662 6.871 -3.837 1.00 0.00 H new ATOM 1479 N CYS A 102 8.391 8.796 -3.868 1.00 0.00 N ATOM 1480 CA CYS A 102 7.921 7.894 -2.823 1.00 0.00 C ATOM 1481 C CYS A 102 6.469 8.189 -2.462 1.00 0.00 C ATOM 1482 O CYS A 102 5.626 7.292 -2.453 1.00 0.00 O ATOM 1483 CB CYS A 102 8.803 8.017 -1.580 1.00 0.00 C ATOM 1484 SG CYS A 102 10.500 7.440 -1.819 1.00 0.00 S ATOM 0 H CYS A 102 9.065 9.493 -3.552 1.00 0.00 H new ATOM 0 HA CYS A 102 7.982 6.874 -3.203 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.826 9.061 -1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.349 7.450 -0.768 1.00 0.00 H new ATOM 0 HG CYS A 102 10.725 7.267 -3.088 1.00 0.00 H new ATOM 1490 N SER A 103 6.184 9.453 -2.163 1.00 0.00 N ATOM 1491 CA SER A 103 4.835 9.866 -1.796 1.00 0.00 C ATOM 1492 C SER A 103 3.802 9.244 -2.732 1.00 0.00 C ATOM 1493 O SER A 103 2.806 8.677 -2.284 1.00 0.00 O ATOM 1494 CB SER A 103 4.718 11.391 -1.832 1.00 0.00 C ATOM 1495 OG SER A 103 4.672 11.868 -3.166 1.00 0.00 O ATOM 0 H SER A 103 6.870 10.208 -2.168 1.00 0.00 H new ATOM 0 HA SER A 103 4.639 9.517 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.819 11.702 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.566 11.836 -1.312 1.00 0.00 H new ATOM 0 HG SER A 103 5.535 11.707 -3.601 1.00 0.00 H new ATOM 1501 N MET A 104 4.049 9.355 -4.033 1.00 0.00 N ATOM 1502 CA MET A 104 3.142 8.803 -5.032 1.00 0.00 C ATOM 1503 C MET A 104 3.207 7.279 -5.042 1.00 0.00 C ATOM 1504 O MET A 104 2.184 6.604 -5.163 1.00 0.00 O ATOM 1505 CB MET A 104 3.485 9.348 -6.420 1.00 0.00 C ATOM 1506 CG MET A 104 4.915 9.063 -6.849 1.00 0.00 C ATOM 1507 SD MET A 104 5.419 10.041 -8.278 1.00 0.00 S ATOM 1508 CE MET A 104 5.582 11.664 -7.537 1.00 0.00 C ATOM 0 H MET A 104 4.869 9.822 -4.420 1.00 0.00 H new ATOM 0 HA MET A 104 2.128 9.105 -4.771 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.802 8.914 -7.150 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.320 10.425 -6.429 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.588 9.269 -6.017 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.015 8.004 -7.085 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.899 12.358 -8.027 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.341 11.605 -6.476 1.00 0.00 H new ATOM 0 HE3 MET A 104 6.606 12.018 -7.657 1.00 0.00 H new ATOM 1518 N LEU A 105 4.416 6.742 -4.914 1.00 0.00 N ATOM 1519 CA LEU A 105 4.614 5.297 -4.909 1.00 0.00 C ATOM 1520 C LEU A 105 3.610 4.613 -3.986 1.00 0.00 C ATOM 1521 O LEU A 105 2.970 3.633 -4.367 1.00 0.00 O ATOM 1522 CB LEU A 105 6.040 4.959 -4.469 1.00 0.00 C ATOM 1523 CG LEU A 105 6.573 3.595 -4.907 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.957 3.619 -6.378 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.761 3.186 -4.050 1.00 0.00 C ATOM 0 H LEU A 105 5.273 7.286 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 105 4.456 4.930 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.709 5.729 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.085 5.012 -3.381 1.00 0.00 H new ATOM 0 HG LEU A 105 5.782 2.857 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.334 2.639 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.081 3.866 -6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.731 4.369 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.127 2.213 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.555 3.925 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.453 3.127 -3.006 1.00 0.00 H new ATOM 1537 N ALA A 106 3.477 5.137 -2.773 1.00 0.00 N ATOM 1538 CA ALA A 106 2.548 4.580 -1.797 1.00 0.00 C ATOM 1539 C ALA A 106 1.117 4.611 -2.323 1.00 0.00 C ATOM 1540 O ALA A 106 0.340 3.686 -2.088 1.00 0.00 O ATOM 1541 CB ALA A 106 2.646 5.339 -0.482 1.00 0.00 C ATOM 0 H ALA A 106 4.001 5.947 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 106 2.822 3.539 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.947 4.912 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.661 5.261 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.401 6.388 -0.648 1.00 0.00 H new ATOM 1547 N GLU A 107 0.775 5.681 -3.034 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.564 5.831 -3.591 1.00 0.00 C ATOM 1549 C GLU A 107 -0.837 4.765 -4.649 1.00 0.00 C ATOM 1550 O GLU A 107 -1.791 3.995 -4.537 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.734 7.224 -4.201 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.048 7.410 -4.939 1.00 0.00 C ATOM 1553 CD GLU A 107 -1.995 8.539 -5.950 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.100 8.513 -6.821 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -2.848 9.448 -5.871 1.00 0.00 O ATOM 0 H GLU A 107 1.406 6.456 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.282 5.706 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.664 7.969 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.089 7.412 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.308 6.483 -5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.840 7.610 -4.218 1.00 0.00 H new ATOM 1562 N ASP A 108 0.008 4.728 -5.673 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.141 3.756 -6.751 1.00 0.00 C ATOM 1564 C ASP A 108 -0.288 2.344 -6.193 1.00 0.00 C ATOM 1565 O ASP A 108 -1.175 1.595 -6.601 1.00 0.00 O ATOM 1566 CB ASP A 108 1.061 3.823 -7.695 1.00 0.00 C ATOM 1567 CG ASP A 108 0.707 3.414 -9.112 1.00 0.00 C ATOM 1568 OD1 ASP A 108 -0.247 2.626 -9.282 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.383 3.884 -10.051 1.00 0.00 O ATOM 0 H ASP A 108 0.803 5.359 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.045 4.002 -7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.458 4.838 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.851 3.173 -7.319 1.00 0.00 H new ATOM 1574 N ALA A 109 0.589 1.988 -5.261 1.00 0.00 N ATOM 1575 CA ALA A 109 0.556 0.666 -4.647 1.00 0.00 C ATOM 1576 C ALA A 109 -0.842 0.331 -4.138 1.00 0.00 C ATOM 1577 O ALA A 109 -1.437 -0.668 -4.542 1.00 0.00 O ATOM 1578 CB ALA A 109 1.566 0.586 -3.511 1.00 0.00 C ATOM 0 H ALA A 109 1.331 2.596 -4.914 1.00 0.00 H new ATOM 0 HA ALA A 109 0.822 -0.067 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.530 -0.406 -3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.567 0.772 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.325 1.335 -2.756 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.360 1.172 -3.249 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.688 0.965 -2.686 1.00 0.00 C ATOM 1586 C ILE A 110 -3.699 0.619 -3.774 1.00 0.00 C ATOM 1587 O ILE A 110 -4.272 -0.471 -3.781 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.178 2.211 -1.925 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.233 2.530 -0.764 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.596 1.999 -1.417 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.346 3.955 -0.267 1.00 0.00 C ATOM 0 H ILE A 110 -0.880 2.003 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.608 0.131 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.182 3.059 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.441 1.848 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.206 2.344 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.927 2.889 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.261 1.815 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.617 1.142 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.648 4.110 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.109 4.643 -1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.363 4.140 0.080 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.911 1.552 -4.695 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.850 1.346 -5.792 1.00 0.00 C ATOM 1605 C LYS A 111 -4.638 -0.018 -6.441 1.00 0.00 C ATOM 1606 O LYS A 111 -5.564 -0.822 -6.535 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.694 2.451 -6.839 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.502 3.700 -6.531 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.710 4.683 -5.685 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.626 5.643 -4.942 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.079 6.010 -3.607 1.00 0.00 N ATOM 0 H LYS A 111 -3.445 2.459 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.860 1.381 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.641 2.720 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.997 2.063 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.801 4.180 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.417 3.423 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.096 4.136 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.030 5.248 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.766 6.545 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.608 5.186 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -5.608 5.509 -2.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.075 5.742 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.171 7.036 -3.464 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.411 -0.271 -6.886 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.077 -1.539 -7.523 1.00 0.00 C ATOM 1627 C ALA A 112 -3.589 -2.718 -6.702 1.00 0.00 C ATOM 1628 O ALA A 112 -4.085 -3.701 -7.251 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.573 -1.648 -7.725 1.00 0.00 C ATOM 0 H ALA A 112 -2.633 0.385 -6.817 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.567 -1.568 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.338 -2.600 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.231 -0.830 -8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.071 -1.592 -6.759 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.465 -2.612 -5.383 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.916 -3.669 -4.486 1.00 0.00 C ATOM 1637 C ALA A 113 -5.401 -3.957 -4.680 1.00 0.00 C ATOM 1638 O ALA A 113 -5.778 -5.002 -5.211 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.635 -3.290 -3.040 1.00 0.00 C ATOM 0 H ALA A 113 -3.056 -1.805 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.362 -4.576 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.977 -4.088 -2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.564 -3.142 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.163 -2.368 -2.796 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.241 -3.023 -4.246 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.687 -3.177 -4.372 1.00 0.00 C ATOM 1647 C LEU A 114 -8.064 -3.651 -5.771 1.00 0.00 C ATOM 1648 O LEU A 114 -8.653 -4.719 -5.937 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.388 -1.853 -4.063 1.00 0.00 C ATOM 1650 CG LEU A 114 -7.963 -1.153 -2.772 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.609 -2.174 -1.702 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.787 -0.222 -3.033 1.00 0.00 C ATOM 0 H LEU A 114 -5.946 -2.152 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.012 -3.930 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.216 -1.171 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.462 -2.036 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.801 -0.556 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.309 -1.657 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.477 -2.800 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.787 -2.798 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.498 0.268 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.945 -0.798 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.075 0.532 -3.766 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.720 -2.851 -6.775 1.00 0.00 N ATOM 1665 CA ALA A 115 -8.019 -3.191 -8.160 1.00 0.00 C ATOM 1666 C ALA A 115 -7.790 -4.676 -8.423 1.00 0.00 C ATOM 1667 O ALA A 115 -8.737 -5.430 -8.647 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.174 -2.350 -9.105 1.00 0.00 C ATOM 0 H ALA A 115 -7.234 -1.962 -6.655 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.072 -2.974 -8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.408 -2.615 -10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.390 -1.294 -8.944 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.118 -2.538 -8.913 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.528 -5.089 -8.394 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.174 -6.484 -8.628 1.00 0.00 C ATOM 1676 C ASP A 116 -7.198 -7.418 -7.990 1.00 0.00 C ATOM 1677 O ASP A 116 -7.713 -8.328 -8.641 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.780 -6.779 -8.073 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.101 -7.926 -8.795 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -4.149 -7.953 -10.042 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -3.522 -8.798 -8.112 1.00 0.00 O ATOM 0 H ASP A 116 -5.733 -4.477 -8.211 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.171 -6.657 -9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.162 -5.885 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.857 -7.016 -7.012 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.486 -7.189 -6.714 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.445 -8.012 -5.987 1.00 0.00 C ATOM 1688 C TYR A 117 -9.800 -8.018 -6.688 1.00 0.00 C ATOM 1689 O TYR A 117 -10.419 -9.068 -6.860 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.602 -7.503 -4.553 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.977 -7.744 -3.973 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.297 -8.955 -3.372 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.957 -6.759 -4.025 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.553 -9.179 -2.841 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.214 -6.974 -3.495 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.508 -8.186 -2.905 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.759 -8.405 -2.376 1.00 0.00 O ATOM 0 H TYR A 117 -7.069 -6.440 -6.161 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.064 -9.033 -5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.859 -7.989 -3.920 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.389 -6.434 -4.530 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.551 -9.735 -3.319 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.731 -5.810 -4.488 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.786 -10.127 -2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.963 -6.197 -3.542 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.312 -7.606 -2.502 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.255 -6.837 -7.092 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.535 -6.702 -7.776 1.00 0.00 C ATOM 1709 C LYS A 118 -11.541 -7.495 -9.079 1.00 0.00 C ATOM 1710 O LYS A 118 -12.511 -8.187 -9.393 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.832 -5.229 -8.062 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.005 -4.389 -6.808 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.771 -2.914 -7.088 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.219 -2.195 -5.867 1.00 0.00 C ATOM 1715 NZ LYS A 118 -11.650 -0.771 -5.819 1.00 0.00 N ATOM 0 H LYS A 118 -9.755 -5.958 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.311 -7.102 -7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.021 -4.813 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.738 -5.160 -8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.010 -4.530 -6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.309 -4.730 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.075 -2.807 -7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.708 -2.448 -7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.552 -2.706 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.130 -2.245 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.539 -0.407 -4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.065 -0.209 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -12.648 -0.701 -6.103 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.453 -7.392 -9.834 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.332 -8.101 -11.104 1.00 0.00 C ATOM 1731 C LEU A 119 -10.741 -9.562 -10.952 1.00 0.00 C ATOM 1732 O LEU A 119 -11.465 -10.106 -11.786 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.897 -8.012 -11.625 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.232 -6.638 -11.532 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -6.889 -6.646 -12.244 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.141 -5.566 -12.116 1.00 0.00 C ATOM 0 H LEU A 119 -9.642 -6.824 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.002 -7.628 -11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.287 -8.727 -11.073 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.891 -8.326 -12.669 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.061 -6.408 -10.480 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.431 -5.660 -12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.236 -7.386 -11.782 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.036 -6.897 -13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.652 -4.595 -12.042 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.343 -5.791 -13.163 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.079 -5.543 -11.562 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.274 -10.194 -9.880 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.593 -11.592 -9.616 1.00 0.00 C ATOM 1750 C LYS A 120 -12.083 -11.767 -9.342 1.00 0.00 C ATOM 1751 O LYS A 120 -12.680 -12.770 -9.732 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.780 -12.105 -8.425 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.335 -11.636 -8.427 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.422 -12.644 -7.749 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.948 -13.711 -8.724 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.134 -14.758 -8.047 1.00 0.00 N ATOM 0 H LYS A 120 -9.673 -9.760 -9.180 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.334 -12.172 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.258 -11.778 -7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.799 -13.195 -8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.004 -11.477 -9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.262 -10.676 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.560 -12.128 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.951 -13.116 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.811 -14.175 -9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.357 -13.245 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.830 -15.467 -8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.297 -14.320 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.705 -15.220 -7.311 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.676 -10.786 -8.670 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.097 -10.833 -8.345 1.00 0.00 C ATOM 1772 C GLN A 121 -14.948 -10.701 -9.604 1.00 0.00 C ATOM 1773 O GLN A 121 -16.027 -11.284 -9.699 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.453 -9.722 -7.356 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.664 -9.788 -6.058 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.910 -11.072 -5.290 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.986 -11.275 -4.726 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.913 -11.948 -5.266 1.00 0.00 N ATOM 0 H GLN A 121 -12.195 -9.949 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.307 -11.799 -7.886 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.278 -8.756 -7.829 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.517 -9.777 -7.128 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.600 -9.699 -6.279 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.931 -8.937 -5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -12.038 -11.739 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -13.021 -12.831 -4.766 1.00 0.00 H new