USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 57 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.8) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0633 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0.859 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.0692 (180deg=-0.477) USER MOD Single : A 26 ASN : amide:sc=-1.7e-05 K(o=-1.7e-05,f=-0.86) USER MOD Single : A 28 THR OG1 : rot -160:sc= 0.781 USER MOD Single : A 29 GLN : amide:sc= 0.203 K(o=0.2,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0145 (180deg=-0.208) USER MOD Single : A 34 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.393) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0358) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-4.2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.69) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -80:sc= 1.12 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.791) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 16 11.795 21.865 -22.317 1.00 0.00 N ATOM 242 CA THR A 16 12.981 22.602 -21.989 1.00 0.00 C ATOM 243 C THR A 16 13.683 21.973 -20.799 1.00 0.00 C ATOM 244 O THR A 16 13.211 20.984 -20.254 1.00 0.00 O ATOM 245 CB THR A 16 12.681 24.113 -21.753 1.00 0.00 C ATOM 246 OG1 THR A 16 13.869 24.831 -21.383 1.00 0.00 O ATOM 247 CG2 THR A 16 11.605 24.309 -20.698 1.00 0.00 C ATOM 0 HA THR A 16 13.655 22.552 -22.844 1.00 0.00 H new ATOM 0 HB THR A 16 12.314 24.515 -22.697 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.650 25.776 -21.243 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.421 25.374 -20.559 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.685 23.821 -21.021 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.935 23.872 -19.756 1.00 0.00 H new ATOM 255 N TYR A 17 14.806 22.539 -20.413 1.00 0.00 N ATOM 256 CA TYR A 17 15.616 21.999 -19.322 1.00 0.00 C ATOM 257 C TYR A 17 14.851 21.967 -18.023 1.00 0.00 C ATOM 258 O TYR A 17 15.093 21.112 -17.180 1.00 0.00 O ATOM 259 CB TYR A 17 16.911 22.788 -19.172 1.00 0.00 C ATOM 260 CG TYR A 17 17.836 22.626 -20.365 1.00 0.00 C ATOM 261 CD1 TYR A 17 18.265 21.365 -20.760 1.00 0.00 C ATOM 262 CD2 TYR A 17 18.252 23.721 -21.115 1.00 0.00 C ATOM 263 CE1 TYR A 17 19.084 21.198 -21.856 1.00 0.00 C ATOM 264 CE2 TYR A 17 19.070 23.558 -22.221 1.00 0.00 C ATOM 265 CZ TYR A 17 19.482 22.295 -22.584 1.00 0.00 C ATOM 266 OH TYR A 17 20.287 22.126 -23.690 1.00 0.00 O ATOM 0 H TYR A 17 15.189 23.383 -20.839 1.00 0.00 H new ATOM 0 HA TYR A 17 15.867 20.969 -19.576 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.675 23.844 -19.041 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.428 22.462 -18.269 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.951 20.499 -20.197 1.00 0.00 H new ATOM 0 HD2 TYR A 17 17.933 24.713 -20.831 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.412 20.210 -22.142 1.00 0.00 H new ATOM 0 HE2 TYR A 17 19.383 24.417 -22.796 1.00 0.00 H new ATOM 0 HH TYR A 17 20.477 22.999 -24.093 1.00 0.00 H new ATOM 276 N TYR A 18 13.919 22.883 -17.862 1.00 0.00 N ATOM 277 CA TYR A 18 13.096 22.900 -16.692 1.00 0.00 C ATOM 278 C TYR A 18 12.160 21.693 -16.715 1.00 0.00 C ATOM 279 O TYR A 18 11.903 21.068 -15.688 1.00 0.00 O ATOM 280 CB TYR A 18 12.296 24.186 -16.636 1.00 0.00 C ATOM 281 CG TYR A 18 13.119 25.454 -16.448 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.489 25.410 -16.187 1.00 0.00 C ATOM 283 CD2 TYR A 18 12.509 26.701 -16.523 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.215 26.576 -16.007 1.00 0.00 C ATOM 285 CE2 TYR A 18 13.231 27.865 -16.343 1.00 0.00 C ATOM 286 CZ TYR A 18 14.580 27.796 -16.084 1.00 0.00 C ATOM 287 OH TYR A 18 15.300 28.957 -15.892 1.00 0.00 O ATOM 0 H TYR A 18 13.719 23.624 -18.534 1.00 0.00 H new ATOM 0 HA TYR A 18 13.726 22.848 -15.804 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.722 24.278 -17.558 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.578 24.113 -15.819 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.990 24.455 -16.125 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.450 26.761 -16.726 1.00 0.00 H new ATOM 0 HE1 TYR A 18 16.275 26.529 -15.807 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.739 28.824 -16.405 1.00 0.00 H new ATOM 0 HH TYR A 18 14.704 29.730 -15.981 1.00 0.00 H new ATOM 297 N ASP A 19 11.662 21.378 -17.916 1.00 0.00 N ATOM 298 CA ASP A 19 10.779 20.224 -18.133 1.00 0.00 C ATOM 299 C ASP A 19 11.527 18.920 -17.906 1.00 0.00 C ATOM 300 O ASP A 19 11.065 18.036 -17.189 1.00 0.00 O ATOM 301 CB ASP A 19 10.221 20.251 -19.569 1.00 0.00 C ATOM 302 CG ASP A 19 9.351 19.041 -19.880 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.150 19.065 -19.537 1.00 0.00 O ATOM 304 OD2 ASP A 19 9.862 18.072 -20.473 1.00 0.00 O ATOM 0 H ASP A 19 11.858 21.913 -18.762 1.00 0.00 H new ATOM 0 HA ASP A 19 9.957 20.285 -17.419 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.637 21.160 -19.711 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.049 20.290 -20.276 1.00 0.00 H new ATOM 309 N VAL A 20 12.701 18.832 -18.508 1.00 0.00 N ATOM 310 CA VAL A 20 13.558 17.657 -18.412 1.00 0.00 C ATOM 311 C VAL A 20 13.951 17.395 -16.964 1.00 0.00 C ATOM 312 O VAL A 20 13.946 16.256 -16.496 1.00 0.00 O ATOM 313 CB VAL A 20 14.844 17.842 -19.254 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.707 16.613 -19.205 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.501 18.163 -20.683 1.00 0.00 C ATOM 0 H VAL A 20 13.092 19.579 -19.082 1.00 0.00 H new ATOM 0 HA VAL A 20 12.994 16.807 -18.796 1.00 0.00 H new ATOM 0 HB VAL A 20 15.401 18.675 -18.824 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.602 16.773 -19.806 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.994 16.411 -18.173 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.152 15.763 -19.601 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.418 18.289 -21.258 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.915 17.348 -21.108 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.920 19.085 -20.720 1.00 0.00 H new ATOM 325 N LEU A 21 14.279 18.460 -16.265 1.00 0.00 N ATOM 326 CA LEU A 21 14.716 18.366 -14.877 1.00 0.00 C ATOM 327 C LEU A 21 13.512 18.317 -13.935 1.00 0.00 C ATOM 328 O LEU A 21 13.666 18.148 -12.728 1.00 0.00 O ATOM 329 CB LEU A 21 15.632 19.545 -14.535 1.00 0.00 C ATOM 330 CG LEU A 21 16.610 19.316 -13.376 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.634 18.257 -13.733 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.299 20.605 -12.988 1.00 0.00 C ATOM 0 H LEU A 21 14.253 19.411 -16.633 1.00 0.00 H new ATOM 0 HA LEU A 21 15.279 17.442 -14.747 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.206 19.804 -15.424 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.009 20.407 -14.295 1.00 0.00 H new ATOM 0 HG LEU A 21 16.035 18.963 -12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.316 18.113 -12.895 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.125 17.318 -13.952 1.00 0.00 H new ATOM 0 HD13 LEU A 21 18.198 18.577 -14.609 1.00 0.00 H new ATOM 0 HD21 LEU A 21 17.987 20.416 -12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 21 17.854 20.993 -13.843 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.553 21.337 -12.677 1.00 0.00 H new ATOM 344 N GLY A 22 12.312 18.466 -14.501 1.00 0.00 N ATOM 345 CA GLY A 22 11.100 18.354 -13.718 1.00 0.00 C ATOM 346 C GLY A 22 11.034 19.363 -12.593 1.00 0.00 C ATOM 347 O GLY A 22 10.605 19.040 -11.475 1.00 0.00 O ATOM 0 H GLY A 22 12.164 18.663 -15.491 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.237 18.488 -14.371 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.033 17.348 -13.303 1.00 0.00 H new ATOM 351 N VAL A 23 11.446 20.575 -12.880 1.00 0.00 N ATOM 352 CA VAL A 23 11.479 21.615 -11.883 1.00 0.00 C ATOM 353 C VAL A 23 10.584 22.776 -12.319 1.00 0.00 C ATOM 354 O VAL A 23 10.118 22.814 -13.458 1.00 0.00 O ATOM 355 CB VAL A 23 12.933 22.114 -11.656 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.306 23.233 -12.615 1.00 0.00 C ATOM 357 CG2 VAL A 23 13.163 22.504 -10.204 1.00 0.00 C ATOM 0 H VAL A 23 11.765 20.865 -13.804 1.00 0.00 H new ATOM 0 HA VAL A 23 11.108 21.209 -10.942 1.00 0.00 H new ATOM 0 HB VAL A 23 13.601 21.282 -11.876 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.330 23.552 -12.421 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.225 22.875 -13.641 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.630 24.076 -12.471 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.189 22.849 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.475 23.304 -9.929 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.989 21.640 -9.563 1.00 0.00 H new ATOM 367 N LYS A 24 10.316 23.693 -11.416 1.00 0.00 N ATOM 368 CA LYS A 24 9.499 24.838 -11.732 1.00 0.00 C ATOM 369 C LYS A 24 10.359 25.926 -12.369 1.00 0.00 C ATOM 370 O LYS A 24 11.566 25.983 -12.148 1.00 0.00 O ATOM 371 CB LYS A 24 8.821 25.406 -10.476 1.00 0.00 C ATOM 372 CG LYS A 24 7.883 24.447 -9.729 1.00 0.00 C ATOM 373 CD LYS A 24 8.642 23.364 -8.973 1.00 0.00 C ATOM 374 CE LYS A 24 7.728 22.608 -8.024 1.00 0.00 C ATOM 375 NZ LYS A 24 7.202 23.492 -6.950 1.00 0.00 N ATOM 0 H LYS A 24 10.654 23.666 -10.454 1.00 0.00 H new ATOM 0 HA LYS A 24 8.725 24.514 -12.428 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.597 25.736 -9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.252 26.291 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.271 25.014 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.203 23.980 -10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.089 22.668 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.460 23.815 -8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.896 22.179 -8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.274 21.777 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.876 22.911 -6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.955 24.132 -6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.407 24.051 -7.319 1.00 0.00 H new ATOM 389 N PRO A 25 9.749 26.809 -13.150 1.00 0.00 N ATOM 390 CA PRO A 25 10.457 27.925 -13.788 1.00 0.00 C ATOM 391 C PRO A 25 10.935 28.945 -12.750 1.00 0.00 C ATOM 392 O PRO A 25 11.798 29.774 -13.026 1.00 0.00 O ATOM 393 CB PRO A 25 9.388 28.561 -14.695 1.00 0.00 C ATOM 394 CG PRO A 25 8.309 27.533 -14.805 1.00 0.00 C ATOM 395 CD PRO A 25 8.332 26.787 -13.506 1.00 0.00 C ATOM 0 HA PRO A 25 11.346 27.597 -14.326 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.007 29.488 -14.266 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.798 28.808 -15.674 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.338 28.000 -14.972 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.490 26.863 -15.645 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.716 27.273 -12.749 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.958 25.769 -13.616 1.00 0.00 H new ATOM 403 N ASN A 26 10.388 28.836 -11.542 1.00 0.00 N ATOM 404 CA ASN A 26 10.685 29.762 -10.461 1.00 0.00 C ATOM 405 C ASN A 26 11.562 29.088 -9.438 1.00 0.00 C ATOM 406 O ASN A 26 11.767 29.599 -8.331 1.00 0.00 O ATOM 407 CB ASN A 26 9.392 30.249 -9.801 1.00 0.00 C ATOM 408 CG ASN A 26 8.569 31.152 -10.700 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.105 31.883 -11.529 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.254 31.102 -10.542 1.00 0.00 N ATOM 0 H ASN A 26 9.727 28.102 -11.288 1.00 0.00 H new ATOM 0 HA ASN A 26 11.210 30.624 -10.873 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.791 29.387 -9.514 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.638 30.785 -8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.648 31.684 -11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.848 30.481 -9.842 1.00 0.00 H new ATOM 417 N ALA A 27 12.075 27.927 -9.809 1.00 0.00 N ATOM 418 CA ALA A 27 12.907 27.143 -8.939 1.00 0.00 C ATOM 419 C ALA A 27 14.229 27.827 -8.667 1.00 0.00 C ATOM 420 O ALA A 27 14.752 28.563 -9.505 1.00 0.00 O ATOM 421 CB ALA A 27 13.120 25.781 -9.536 1.00 0.00 C ATOM 0 H ALA A 27 11.920 27.508 -10.726 1.00 0.00 H new ATOM 0 HA ALA A 27 12.399 27.037 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.751 25.188 -8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.158 25.284 -9.661 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.605 25.881 -10.507 1.00 0.00 H new ATOM 427 N THR A 28 14.746 27.588 -7.492 1.00 0.00 N ATOM 428 CA THR A 28 15.985 28.178 -7.055 1.00 0.00 C ATOM 429 C THR A 28 17.156 27.409 -7.548 1.00 0.00 C ATOM 430 O THR A 28 17.017 26.301 -8.051 1.00 0.00 O ATOM 431 CB THR A 28 16.050 28.211 -5.526 1.00 0.00 C ATOM 432 OG1 THR A 28 16.072 26.880 -5.013 1.00 0.00 O ATOM 433 CG2 THR A 28 14.847 28.898 -5.003 1.00 0.00 C ATOM 0 H THR A 28 14.315 26.972 -6.803 1.00 0.00 H new ATOM 0 HA THR A 28 16.018 29.189 -7.461 1.00 0.00 H new ATOM 0 HB THR A 28 16.953 28.739 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.797 26.887 -4.072 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.888 28.925 -3.914 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.813 29.916 -5.390 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.954 28.359 -5.320 1.00 0.00 H new ATOM 441 N GLN A 29 18.309 28.008 -7.407 1.00 0.00 N ATOM 442 CA GLN A 29 19.557 27.340 -7.703 1.00 0.00 C ATOM 443 C GLN A 29 19.628 26.042 -6.890 1.00 0.00 C ATOM 444 O GLN A 29 20.082 25.000 -7.374 1.00 0.00 O ATOM 445 CB GLN A 29 20.734 28.279 -7.383 1.00 0.00 C ATOM 446 CG GLN A 29 22.084 27.855 -7.971 1.00 0.00 C ATOM 447 CD GLN A 29 22.768 26.750 -7.181 1.00 0.00 C ATOM 448 OE1 GLN A 29 22.617 26.655 -5.961 1.00 0.00 O ATOM 449 NE2 GLN A 29 23.529 25.923 -7.866 1.00 0.00 N ATOM 0 H GLN A 29 18.414 28.970 -7.085 1.00 0.00 H new ATOM 0 HA GLN A 29 19.615 27.087 -8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.493 29.276 -7.750 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.835 28.354 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 29 21.935 27.519 -8.997 1.00 0.00 H new ATOM 0 HG3 GLN A 29 22.742 28.723 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 29 23.627 26.037 -8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 29 24.021 25.168 -7.388 1.00 0.00 H new ATOM 458 N GLU A 30 19.131 26.119 -5.664 1.00 0.00 N ATOM 459 CA GLU A 30 19.089 24.984 -4.770 1.00 0.00 C ATOM 460 C GLU A 30 18.095 23.947 -5.279 1.00 0.00 C ATOM 461 O GLU A 30 18.373 22.748 -5.281 1.00 0.00 O ATOM 462 CB GLU A 30 18.676 25.451 -3.375 1.00 0.00 C ATOM 463 CG GLU A 30 18.574 24.334 -2.353 1.00 0.00 C ATOM 464 CD GLU A 30 18.201 24.839 -0.989 1.00 0.00 C ATOM 465 OE1 GLU A 30 17.015 25.176 -0.775 1.00 0.00 O ATOM 466 OE2 GLU A 30 19.089 24.904 -0.114 1.00 0.00 O ATOM 0 H GLU A 30 18.746 26.975 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 30 20.079 24.529 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.398 26.188 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.712 25.956 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.831 23.608 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.528 23.810 -2.295 1.00 0.00 H new ATOM 473 N GLU A 31 16.950 24.429 -5.732 1.00 0.00 N ATOM 474 CA GLU A 31 15.891 23.601 -6.223 1.00 0.00 C ATOM 475 C GLU A 31 16.328 22.874 -7.494 1.00 0.00 C ATOM 476 O GLU A 31 15.972 21.719 -7.714 1.00 0.00 O ATOM 477 CB GLU A 31 14.674 24.478 -6.485 1.00 0.00 C ATOM 478 CG GLU A 31 13.419 23.721 -6.844 1.00 0.00 C ATOM 479 CD GLU A 31 12.826 22.976 -5.658 1.00 0.00 C ATOM 480 OE1 GLU A 31 12.148 23.628 -4.831 1.00 0.00 O ATOM 481 OE2 GLU A 31 13.030 21.754 -5.539 1.00 0.00 O ATOM 0 H GLU A 31 16.739 25.426 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 31 15.637 22.841 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.478 25.079 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.909 25.170 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.679 24.418 -7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.643 23.010 -7.640 1.00 0.00 H new ATOM 488 N LEU A 32 17.107 23.562 -8.318 1.00 0.00 N ATOM 489 CA LEU A 32 17.634 22.982 -9.543 1.00 0.00 C ATOM 490 C LEU A 32 18.530 21.778 -9.229 1.00 0.00 C ATOM 491 O LEU A 32 18.410 20.716 -9.846 1.00 0.00 O ATOM 492 CB LEU A 32 18.418 24.028 -10.323 1.00 0.00 C ATOM 493 CG LEU A 32 17.600 24.986 -11.193 1.00 0.00 C ATOM 494 CD1 LEU A 32 16.134 25.016 -10.780 1.00 0.00 C ATOM 495 CD2 LEU A 32 18.182 26.377 -11.135 1.00 0.00 C ATOM 0 H LEU A 32 17.389 24.529 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 32 16.796 22.640 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.996 24.620 -9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.133 23.511 -10.964 1.00 0.00 H new ATOM 0 HG LEU A 32 17.649 24.617 -12.218 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.589 25.708 -11.422 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.708 24.018 -10.878 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.055 25.344 -9.744 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.589 27.046 -11.759 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.169 26.734 -10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.209 26.357 -11.499 1.00 0.00 H new ATOM 507 N LYS A 33 19.416 21.952 -8.248 1.00 0.00 N ATOM 508 CA LYS A 33 20.295 20.875 -7.796 1.00 0.00 C ATOM 509 C LYS A 33 19.475 19.754 -7.167 1.00 0.00 C ATOM 510 O LYS A 33 19.755 18.568 -7.356 1.00 0.00 O ATOM 511 CB LYS A 33 21.332 21.411 -6.801 1.00 0.00 C ATOM 512 CG LYS A 33 22.363 20.379 -6.354 1.00 0.00 C ATOM 513 CD LYS A 33 23.415 21.011 -5.457 1.00 0.00 C ATOM 514 CE LYS A 33 24.462 20.004 -5.030 1.00 0.00 C ATOM 515 NZ LYS A 33 23.877 18.901 -4.239 1.00 0.00 N ATOM 0 H LYS A 33 19.544 22.833 -7.750 1.00 0.00 H new ATOM 0 HA LYS A 33 20.826 20.472 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.852 22.254 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.812 21.793 -5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 33 21.865 19.569 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.843 19.937 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.896 21.835 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.935 21.434 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.954 19.596 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.229 20.506 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.639 18.359 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.247 19.293 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.333 18.274 -4.866 1.00 0.00 H new ATOM 529 N LYS A 34 18.467 20.158 -6.414 1.00 0.00 N ATOM 530 CA LYS A 34 17.556 19.251 -5.741 1.00 0.00 C ATOM 531 C LYS A 34 16.795 18.372 -6.747 1.00 0.00 C ATOM 532 O LYS A 34 16.656 17.161 -6.538 1.00 0.00 O ATOM 533 CB LYS A 34 16.614 20.075 -4.865 1.00 0.00 C ATOM 534 CG LYS A 34 15.538 19.307 -4.136 1.00 0.00 C ATOM 535 CD LYS A 34 14.828 20.223 -3.153 1.00 0.00 C ATOM 536 CE LYS A 34 13.498 19.663 -2.726 1.00 0.00 C ATOM 537 NZ LYS A 34 12.547 19.656 -3.864 1.00 0.00 N ATOM 0 H LYS A 34 18.256 21.142 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 34 18.117 18.563 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.212 20.610 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.134 20.827 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.822 18.900 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.977 18.461 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.458 20.372 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.680 21.202 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.628 18.649 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.092 20.259 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.574 19.598 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.660 20.530 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.740 18.835 -4.473 1.00 0.00 H new ATOM 551 N ALA A 35 16.317 18.980 -7.840 1.00 0.00 N ATOM 552 CA ALA A 35 15.642 18.226 -8.904 1.00 0.00 C ATOM 553 C ALA A 35 16.591 17.202 -9.484 1.00 0.00 C ATOM 554 O ALA A 35 16.240 16.034 -9.651 1.00 0.00 O ATOM 555 CB ALA A 35 15.157 19.160 -10.018 1.00 0.00 C ATOM 0 H ALA A 35 16.384 19.983 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 35 14.776 17.726 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.661 18.575 -10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.455 19.885 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.009 19.685 -10.449 1.00 0.00 H new ATOM 561 N TYR A 36 17.809 17.645 -9.751 1.00 0.00 N ATOM 562 CA TYR A 36 18.836 16.794 -10.320 1.00 0.00 C ATOM 563 C TYR A 36 19.118 15.596 -9.431 1.00 0.00 C ATOM 564 O TYR A 36 19.175 14.475 -9.908 1.00 0.00 O ATOM 565 CB TYR A 36 20.115 17.600 -10.553 1.00 0.00 C ATOM 566 CG TYR A 36 21.309 16.771 -10.987 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.418 16.298 -12.287 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.334 16.472 -10.093 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.510 15.550 -12.685 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.428 15.724 -10.484 1.00 0.00 C ATOM 571 CZ TYR A 36 23.512 15.267 -11.780 1.00 0.00 C ATOM 572 OH TYR A 36 24.598 14.524 -12.173 1.00 0.00 O ATOM 0 H TYR A 36 18.111 18.604 -9.579 1.00 0.00 H new ATOM 0 HA TYR A 36 18.473 16.418 -11.276 1.00 0.00 H new ATOM 0 HB2 TYR A 36 19.919 18.358 -11.312 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.370 18.128 -9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.637 16.518 -12.999 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.273 16.831 -9.076 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.579 15.189 -13.700 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.213 15.499 -9.777 1.00 0.00 H new ATOM 0 HH TYR A 36 25.212 14.416 -11.417 1.00 0.00 H new ATOM 582 N ARG A 37 19.277 15.835 -8.145 1.00 0.00 N ATOM 583 CA ARG A 37 19.571 14.766 -7.200 1.00 0.00 C ATOM 584 C ARG A 37 18.430 13.741 -7.160 1.00 0.00 C ATOM 585 O ARG A 37 18.670 12.527 -7.135 1.00 0.00 O ATOM 586 CB ARG A 37 19.832 15.343 -5.808 1.00 0.00 C ATOM 587 CG ARG A 37 20.239 14.301 -4.773 1.00 0.00 C ATOM 588 CD ARG A 37 20.554 14.942 -3.432 1.00 0.00 C ATOM 589 NE ARG A 37 19.380 15.581 -2.831 1.00 0.00 N ATOM 590 CZ ARG A 37 18.548 14.987 -1.969 1.00 0.00 C ATOM 591 NH1 ARG A 37 18.769 13.736 -1.578 1.00 0.00 N ATOM 592 NH2 ARG A 37 17.505 15.656 -1.488 1.00 0.00 N ATOM 0 H ARG A 37 19.208 16.762 -7.725 1.00 0.00 H new ATOM 0 HA ARG A 37 20.472 14.251 -7.534 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.617 16.096 -5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.932 15.852 -5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.435 13.575 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 37 21.111 13.754 -5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.940 14.184 -2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 37 21.342 15.684 -3.563 1.00 0.00 H new ATOM 0 HE ARG A 37 19.183 16.548 -3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.576 13.225 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 37 18.132 13.287 -0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.341 16.620 -1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.869 15.205 -0.830 1.00 0.00 H new ATOM 606 N LYS A 38 17.196 14.242 -7.171 1.00 0.00 N ATOM 607 CA LYS A 38 16.002 13.395 -7.149 1.00 0.00 C ATOM 608 C LYS A 38 15.947 12.502 -8.407 1.00 0.00 C ATOM 609 O LYS A 38 15.777 11.264 -8.324 1.00 0.00 O ATOM 610 CB LYS A 38 14.761 14.306 -7.104 1.00 0.00 C ATOM 611 CG LYS A 38 13.424 13.590 -7.026 1.00 0.00 C ATOM 612 CD LYS A 38 12.284 14.606 -7.042 1.00 0.00 C ATOM 613 CE LYS A 38 10.914 13.946 -6.965 1.00 0.00 C ATOM 614 NZ LYS A 38 10.691 13.279 -5.662 1.00 0.00 N ATOM 0 H LYS A 38 16.995 15.242 -7.195 1.00 0.00 H new ATOM 0 HA LYS A 38 16.030 12.748 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.849 14.968 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.763 14.937 -7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.321 12.903 -7.866 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.376 12.991 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.401 15.292 -6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.346 15.202 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.140 14.697 -7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.819 13.215 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.707 12.946 -5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.336 12.468 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.872 13.953 -4.891 1.00 0.00 H new ATOM 628 N LEU A 39 16.118 13.127 -9.561 1.00 0.00 N ATOM 629 CA LEU A 39 16.071 12.423 -10.836 1.00 0.00 C ATOM 630 C LEU A 39 17.220 11.469 -10.965 1.00 0.00 C ATOM 631 O LEU A 39 17.071 10.374 -11.489 1.00 0.00 O ATOM 632 CB LEU A 39 16.120 13.397 -11.973 1.00 0.00 C ATOM 633 CG LEU A 39 15.125 14.518 -11.905 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.272 15.422 -13.103 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.700 13.994 -11.783 1.00 0.00 C ATOM 0 H LEU A 39 16.292 14.129 -9.642 1.00 0.00 H new ATOM 0 HA LEU A 39 15.136 11.864 -10.870 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.121 13.825 -12.019 1.00 0.00 H new ATOM 0 HB3 LEU A 39 15.964 12.851 -12.903 1.00 0.00 H new ATOM 0 HG LEU A 39 15.332 15.099 -11.007 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.544 16.231 -13.040 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.278 15.841 -13.122 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.100 14.849 -14.014 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.006 14.834 -11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.464 13.376 -12.649 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.608 13.397 -10.876 1.00 0.00 H new ATOM 647 N ALA A 40 18.375 11.905 -10.491 1.00 0.00 N ATOM 648 CA ALA A 40 19.600 11.108 -10.552 1.00 0.00 C ATOM 649 C ALA A 40 19.414 9.770 -9.880 1.00 0.00 C ATOM 650 O ALA A 40 19.951 8.763 -10.327 1.00 0.00 O ATOM 651 CB ALA A 40 20.771 11.859 -9.932 1.00 0.00 C ATOM 0 H ALA A 40 18.495 12.818 -10.053 1.00 0.00 H new ATOM 0 HA ALA A 40 19.826 10.930 -11.603 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.669 11.244 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.933 12.791 -10.474 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.550 12.080 -8.888 1.00 0.00 H new ATOM 657 N LEU A 41 18.670 9.764 -8.802 1.00 0.00 N ATOM 658 CA LEU A 41 18.364 8.545 -8.112 1.00 0.00 C ATOM 659 C LEU A 41 17.525 7.615 -8.993 1.00 0.00 C ATOM 660 O LEU A 41 17.798 6.418 -9.081 1.00 0.00 O ATOM 661 CB LEU A 41 17.608 8.864 -6.833 1.00 0.00 C ATOM 662 CG LEU A 41 18.407 9.589 -5.755 1.00 0.00 C ATOM 663 CD1 LEU A 41 17.505 10.002 -4.609 1.00 0.00 C ATOM 664 CD2 LEU A 41 19.539 8.713 -5.253 1.00 0.00 C ATOM 0 H LEU A 41 18.264 10.601 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 41 19.298 8.037 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.741 9.473 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.230 7.931 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 41 18.837 10.489 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.094 10.518 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.727 10.669 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.044 9.116 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 41 20.098 9.246 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 41 19.129 7.795 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.204 8.468 -6.081 1.00 0.00 H new ATOM 676 N LYS A 42 16.516 8.174 -9.650 1.00 0.00 N ATOM 677 CA LYS A 42 15.624 7.395 -10.498 1.00 0.00 C ATOM 678 C LYS A 42 16.251 6.953 -11.837 1.00 0.00 C ATOM 679 O LYS A 42 16.075 5.810 -12.260 1.00 0.00 O ATOM 680 CB LYS A 42 14.330 8.163 -10.744 1.00 0.00 C ATOM 681 CG LYS A 42 13.255 7.919 -9.697 1.00 0.00 C ATOM 682 CD LYS A 42 13.695 8.368 -8.317 1.00 0.00 C ATOM 683 CE LYS A 42 12.648 8.031 -7.271 1.00 0.00 C ATOM 684 NZ LYS A 42 13.111 8.347 -5.898 1.00 0.00 N ATOM 0 H LYS A 42 16.295 9.169 -9.611 1.00 0.00 H new ATOM 0 HA LYS A 42 15.416 6.475 -9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.554 9.229 -10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.938 7.888 -11.723 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.347 8.451 -9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.008 6.858 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.639 7.887 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.876 9.443 -8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.734 8.586 -7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.400 6.972 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.366 8.102 -5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.969 7.799 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.323 9.363 -5.828 1.00 0.00 H new ATOM 698 N TYR A 43 16.977 7.845 -12.482 1.00 0.00 N ATOM 699 CA TYR A 43 17.533 7.574 -13.828 1.00 0.00 C ATOM 700 C TYR A 43 19.015 7.238 -13.777 1.00 0.00 C ATOM 701 O TYR A 43 19.711 7.345 -14.782 1.00 0.00 O ATOM 702 CB TYR A 43 17.293 8.771 -14.768 1.00 0.00 C ATOM 703 CG TYR A 43 15.828 9.100 -14.952 1.00 0.00 C ATOM 704 CD1 TYR A 43 15.166 9.927 -14.053 1.00 0.00 C ATOM 705 CD2 TYR A 43 15.101 8.579 -16.018 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.829 10.219 -14.204 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.761 8.872 -16.176 1.00 0.00 C ATOM 708 CZ TYR A 43 13.132 9.693 -15.267 1.00 0.00 C ATOM 709 OH TYR A 43 11.801 9.984 -15.417 1.00 0.00 O ATOM 0 H TYR A 43 17.205 8.767 -12.111 1.00 0.00 H new ATOM 0 HA TYR A 43 17.009 6.702 -14.220 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.808 9.646 -14.371 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.735 8.555 -15.741 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.710 10.348 -13.221 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.592 7.936 -16.733 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.330 10.858 -13.491 1.00 0.00 H new ATOM 0 HE2 TYR A 43 13.209 8.460 -17.008 1.00 0.00 H new ATOM 0 HH TYR A 43 11.456 9.536 -16.217 1.00 0.00 H new ATOM 719 N HIS A 44 19.485 6.847 -12.602 1.00 0.00 N ATOM 720 CA HIS A 44 20.888 6.465 -12.394 1.00 0.00 C ATOM 721 C HIS A 44 21.338 5.445 -13.444 1.00 0.00 C ATOM 722 O HIS A 44 20.863 4.316 -13.444 1.00 0.00 O ATOM 723 CB HIS A 44 21.061 5.862 -10.993 1.00 0.00 C ATOM 724 CG HIS A 44 22.485 5.729 -10.565 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.441 6.685 -10.828 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.115 4.750 -9.880 1.00 0.00 C ATOM 727 CE1 HIS A 44 24.595 6.300 -10.325 1.00 0.00 C ATOM 728 NE2 HIS A 44 24.424 5.131 -9.743 1.00 0.00 N ATOM 0 H HIS A 44 18.911 6.783 -11.761 1.00 0.00 H new ATOM 0 HA HIS A 44 21.503 7.360 -12.490 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.531 6.485 -10.272 1.00 0.00 H new ATOM 0 HB3 HIS A 44 20.591 4.879 -10.971 1.00 0.00 H new ATOM 0 HD2 HIS A 44 22.670 3.838 -9.510 1.00 0.00 H new ATOM 0 HE1 HIS A 44 25.523 6.849 -10.380 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.150 4.595 -9.267 1.00 0.00 H new ATOM 736 N PRO A 45 22.274 5.826 -14.342 1.00 0.00 N ATOM 737 CA PRO A 45 22.760 4.938 -15.414 1.00 0.00 C ATOM 738 C PRO A 45 23.403 3.667 -14.866 1.00 0.00 C ATOM 739 O PRO A 45 23.364 2.620 -15.498 1.00 0.00 O ATOM 740 CB PRO A 45 23.796 5.783 -16.154 1.00 0.00 C ATOM 741 CG PRO A 45 23.493 7.192 -15.782 1.00 0.00 C ATOM 742 CD PRO A 45 22.922 7.145 -14.391 1.00 0.00 C ATOM 0 HA PRO A 45 21.945 4.596 -16.052 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.809 5.508 -15.861 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.725 5.637 -17.232 1.00 0.00 H new ATOM 0 HG2 PRO A 45 24.394 7.805 -15.813 1.00 0.00 H new ATOM 0 HG3 PRO A 45 22.782 7.635 -16.480 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.699 7.241 -13.633 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.209 7.951 -14.220 1.00 0.00 H new ATOM 750 N ASP A 46 23.998 3.770 -13.684 1.00 0.00 N ATOM 751 CA ASP A 46 24.637 2.619 -13.041 1.00 0.00 C ATOM 752 C ASP A 46 23.594 1.669 -12.460 1.00 0.00 C ATOM 753 O ASP A 46 23.907 0.545 -12.065 1.00 0.00 O ATOM 754 CB ASP A 46 25.600 3.076 -11.950 1.00 0.00 C ATOM 755 CG ASP A 46 26.748 3.891 -12.494 1.00 0.00 C ATOM 756 OD1 ASP A 46 27.709 3.297 -13.018 1.00 0.00 O ATOM 757 OD2 ASP A 46 26.693 5.131 -12.413 1.00 0.00 O ATOM 0 H ASP A 46 24.054 4.636 -13.148 1.00 0.00 H new ATOM 0 HA ASP A 46 25.203 2.083 -13.803 1.00 0.00 H new ATOM 0 HB2 ASP A 46 25.055 3.668 -11.214 1.00 0.00 H new ATOM 0 HB3 ASP A 46 25.994 2.203 -11.429 1.00 0.00 H new ATOM 762 N LYS A 47 22.356 2.135 -12.402 1.00 0.00 N ATOM 763 CA LYS A 47 21.244 1.324 -11.931 1.00 0.00 C ATOM 764 C LYS A 47 20.437 0.862 -13.133 1.00 0.00 C ATOM 765 O LYS A 47 20.111 -0.315 -13.273 1.00 0.00 O ATOM 766 CB LYS A 47 20.333 2.131 -10.989 1.00 0.00 C ATOM 767 CG LYS A 47 19.174 1.323 -10.425 1.00 0.00 C ATOM 768 CD LYS A 47 18.265 2.168 -9.551 1.00 0.00 C ATOM 769 CE LYS A 47 17.102 1.346 -9.013 1.00 0.00 C ATOM 770 NZ LYS A 47 16.157 2.166 -8.212 1.00 0.00 N ATOM 0 H LYS A 47 22.095 3.081 -12.679 1.00 0.00 H new ATOM 0 HA LYS A 47 21.638 0.470 -11.379 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.930 2.519 -10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 47 19.937 2.991 -11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 47 18.596 0.897 -11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 47 19.563 0.488 -9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 47 18.836 2.582 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.883 3.011 -10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.567 0.888 -9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.488 0.534 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.382 1.565 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.659 2.583 -7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.767 2.926 -8.806 1.00 0.00 H new ATOM 784 N ASN A 48 20.131 1.808 -14.004 1.00 0.00 N ATOM 785 CA ASN A 48 19.408 1.542 -15.225 1.00 0.00 C ATOM 786 C ASN A 48 20.180 2.107 -16.396 1.00 0.00 C ATOM 787 O ASN A 48 20.022 3.273 -16.765 1.00 0.00 O ATOM 788 CB ASN A 48 18.008 2.140 -15.192 1.00 0.00 C ATOM 789 CG ASN A 48 17.146 1.600 -14.067 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.107 2.157 -12.967 1.00 0.00 O ATOM 791 ND2 ASN A 48 16.444 0.512 -14.328 1.00 0.00 N ATOM 0 H ASN A 48 20.382 2.789 -13.878 1.00 0.00 H new ATOM 0 HA ASN A 48 19.304 0.462 -15.331 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.086 3.223 -15.092 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.515 1.943 -16.144 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.846 0.106 -13.608 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.500 0.077 -15.249 1.00 0.00 H new ATOM 798 N PRO A 49 21.062 1.291 -16.946 1.00 0.00 N ATOM 799 CA PRO A 49 21.882 1.627 -18.085 1.00 0.00 C ATOM 800 C PRO A 49 21.075 2.194 -19.239 1.00 0.00 C ATOM 801 O PRO A 49 21.539 3.065 -19.975 1.00 0.00 O ATOM 802 CB PRO A 49 22.462 0.303 -18.511 1.00 0.00 C ATOM 803 CG PRO A 49 22.342 -0.595 -17.354 1.00 0.00 C ATOM 804 CD PRO A 49 21.360 -0.007 -16.422 1.00 0.00 C ATOM 0 HA PRO A 49 22.618 2.387 -17.824 1.00 0.00 H new ATOM 0 HB2 PRO A 49 21.925 -0.098 -19.371 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.504 0.414 -18.810 1.00 0.00 H new ATOM 0 HG2 PRO A 49 22.019 -1.586 -17.672 1.00 0.00 H new ATOM 0 HG3 PRO A 49 23.308 -0.716 -16.864 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.461 -0.621 -16.361 1.00 0.00 H new ATOM 0 HD3 PRO A 49 21.769 0.062 -15.414 1.00 0.00 H new ATOM 812 N ASN A 50 19.860 1.697 -19.381 1.00 0.00 N ATOM 813 CA ASN A 50 18.983 2.098 -20.478 1.00 0.00 C ATOM 814 C ASN A 50 18.389 3.486 -20.256 1.00 0.00 C ATOM 815 O ASN A 50 17.850 4.087 -21.182 1.00 0.00 O ATOM 816 CB ASN A 50 17.857 1.075 -20.696 1.00 0.00 C ATOM 817 CG ASN A 50 18.365 -0.275 -21.170 1.00 0.00 C ATOM 818 OD1 ASN A 50 19.406 -0.368 -21.826 1.00 0.00 O ATOM 819 ND2 ASN A 50 17.634 -1.325 -20.851 1.00 0.00 N ATOM 0 H ASN A 50 19.451 1.010 -18.748 1.00 0.00 H new ATOM 0 HA ASN A 50 19.602 2.134 -21.374 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.308 0.943 -19.764 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.152 1.469 -21.428 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.923 -2.257 -21.148 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.780 -1.205 -20.307 1.00 0.00 H new ATOM 826 N GLU A 51 18.482 4.002 -19.037 1.00 0.00 N ATOM 827 CA GLU A 51 17.944 5.332 -18.751 1.00 0.00 C ATOM 828 C GLU A 51 19.032 6.402 -18.831 1.00 0.00 C ATOM 829 O GLU A 51 18.765 7.588 -18.631 1.00 0.00 O ATOM 830 CB GLU A 51 17.267 5.389 -17.380 1.00 0.00 C ATOM 831 CG GLU A 51 16.098 4.426 -17.219 1.00 0.00 C ATOM 832 CD GLU A 51 15.082 4.526 -18.339 1.00 0.00 C ATOM 833 OE1 GLU A 51 14.609 5.640 -18.634 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.747 3.479 -18.925 1.00 0.00 O ATOM 0 H GLU A 51 18.916 3.533 -18.242 1.00 0.00 H new ATOM 0 HA GLU A 51 17.193 5.534 -19.515 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.009 5.173 -16.612 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.913 6.405 -17.204 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.480 3.406 -17.174 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.602 4.623 -16.269 1.00 0.00 H new ATOM 841 N GLY A 52 20.255 5.988 -19.143 1.00 0.00 N ATOM 842 CA GLY A 52 21.361 6.924 -19.189 1.00 0.00 C ATOM 843 C GLY A 52 21.209 7.981 -20.277 1.00 0.00 C ATOM 844 O GLY A 52 21.683 9.102 -20.115 1.00 0.00 O ATOM 0 H GLY A 52 20.499 5.023 -19.364 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.451 7.418 -18.222 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.288 6.374 -19.353 1.00 0.00 H new ATOM 848 N GLU A 53 20.566 7.627 -21.393 1.00 0.00 N ATOM 849 CA GLU A 53 20.334 8.596 -22.459 1.00 0.00 C ATOM 850 C GLU A 53 19.417 9.716 -21.958 1.00 0.00 C ATOM 851 O GLU A 53 19.627 10.889 -22.263 1.00 0.00 O ATOM 852 CB GLU A 53 19.755 7.925 -23.709 1.00 0.00 C ATOM 853 CG GLU A 53 19.612 8.875 -24.891 1.00 0.00 C ATOM 854 CD GLU A 53 19.155 8.191 -26.158 1.00 0.00 C ATOM 855 OE1 GLU A 53 17.935 8.042 -26.357 1.00 0.00 O ATOM 856 OE2 GLU A 53 20.020 7.823 -26.980 1.00 0.00 O ATOM 0 H GLU A 53 20.203 6.692 -21.578 1.00 0.00 H new ATOM 0 HA GLU A 53 21.292 9.031 -22.743 1.00 0.00 H new ATOM 0 HB2 GLU A 53 20.397 7.092 -23.996 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.778 7.506 -23.468 1.00 0.00 H new ATOM 0 HG2 GLU A 53 18.900 9.659 -24.633 1.00 0.00 H new ATOM 0 HG3 GLU A 53 20.570 9.362 -25.075 1.00 0.00 H new ATOM 863 N LYS A 54 18.407 9.341 -21.173 1.00 0.00 N ATOM 864 CA LYS A 54 17.540 10.301 -20.540 1.00 0.00 C ATOM 865 C LYS A 54 18.323 11.134 -19.548 1.00 0.00 C ATOM 866 O LYS A 54 18.105 12.339 -19.403 1.00 0.00 O ATOM 867 CB LYS A 54 16.393 9.601 -19.854 1.00 0.00 C ATOM 868 CG LYS A 54 15.384 9.018 -20.818 1.00 0.00 C ATOM 869 CD LYS A 54 14.723 10.112 -21.650 1.00 0.00 C ATOM 870 CE LYS A 54 13.679 9.549 -22.597 1.00 0.00 C ATOM 871 NZ LYS A 54 13.059 10.618 -23.415 1.00 0.00 N ATOM 0 H LYS A 54 18.178 8.369 -20.967 1.00 0.00 H new ATOM 0 HA LYS A 54 17.131 10.962 -21.304 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.788 8.803 -19.225 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.889 10.307 -19.194 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.877 8.304 -21.477 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.623 8.468 -20.264 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.257 10.841 -20.987 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.484 10.643 -22.222 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.140 8.809 -23.251 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.908 9.032 -22.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.350 10.201 -24.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.599 11.310 -22.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.793 11.094 -23.978 1.00 0.00 H new ATOM 885 N PHE A 55 19.244 10.478 -18.869 1.00 0.00 N ATOM 886 CA PHE A 55 20.098 11.127 -17.896 1.00 0.00 C ATOM 887 C PHE A 55 20.970 12.184 -18.561 1.00 0.00 C ATOM 888 O PHE A 55 21.320 13.185 -17.939 1.00 0.00 O ATOM 889 CB PHE A 55 20.976 10.093 -17.175 1.00 0.00 C ATOM 890 CG PHE A 55 21.773 10.661 -16.029 1.00 0.00 C ATOM 891 CD1 PHE A 55 21.188 10.860 -14.788 1.00 0.00 C ATOM 892 CD2 PHE A 55 23.113 10.991 -16.197 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.922 11.382 -13.737 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.850 11.512 -15.154 1.00 0.00 C ATOM 895 CZ PHE A 55 23.257 11.707 -13.921 1.00 0.00 C ATOM 0 H PHE A 55 19.421 9.479 -18.977 1.00 0.00 H new ATOM 0 HA PHE A 55 19.460 11.618 -17.161 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.341 9.290 -16.800 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.662 9.647 -17.896 1.00 0.00 H new ATOM 0 HD1 PHE A 55 20.149 10.605 -14.640 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.583 10.837 -17.157 1.00 0.00 H new ATOM 0 HE1 PHE A 55 21.455 11.536 -12.775 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.889 11.767 -15.301 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.833 12.112 -13.102 1.00 0.00 H new ATOM 905 N LYS A 56 21.323 11.958 -19.819 1.00 0.00 N ATOM 906 CA LYS A 56 22.131 12.906 -20.565 1.00 0.00 C ATOM 907 C LYS A 56 21.424 14.261 -20.611 1.00 0.00 C ATOM 908 O LYS A 56 22.047 15.306 -20.411 1.00 0.00 O ATOM 909 CB LYS A 56 22.381 12.391 -21.982 1.00 0.00 C ATOM 910 CG LYS A 56 23.313 13.264 -22.796 1.00 0.00 C ATOM 911 CD LYS A 56 23.533 12.693 -24.186 1.00 0.00 C ATOM 912 CE LYS A 56 24.482 13.566 -24.995 1.00 0.00 C ATOM 913 NZ LYS A 56 24.710 13.028 -26.357 1.00 0.00 N ATOM 0 H LYS A 56 21.060 11.123 -20.343 1.00 0.00 H new ATOM 0 HA LYS A 56 23.093 13.023 -20.066 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.798 11.386 -21.924 1.00 0.00 H new ATOM 0 HB3 LYS A 56 21.427 12.311 -22.503 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.897 14.268 -22.875 1.00 0.00 H new ATOM 0 HG3 LYS A 56 24.270 13.355 -22.283 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.939 11.685 -24.108 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.578 12.612 -24.704 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.074 14.574 -25.068 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.435 13.645 -24.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.362 13.653 -26.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.124 12.076 -26.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.805 12.976 -26.866 1.00 0.00 H new ATOM 927 N GLN A 57 20.117 14.226 -20.852 1.00 0.00 N ATOM 928 CA GLN A 57 19.292 15.405 -20.865 1.00 0.00 C ATOM 929 C GLN A 57 19.301 16.084 -19.507 1.00 0.00 C ATOM 930 O GLN A 57 19.432 17.306 -19.403 1.00 0.00 O ATOM 931 CB GLN A 57 17.884 14.990 -21.193 1.00 0.00 C ATOM 932 CG GLN A 57 17.708 14.524 -22.611 1.00 0.00 C ATOM 933 CD GLN A 57 16.282 14.155 -22.947 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.830 13.042 -22.677 1.00 0.00 O ATOM 935 NE2 GLN A 57 15.572 15.082 -23.559 1.00 0.00 N ATOM 0 H GLN A 57 19.606 13.364 -21.044 1.00 0.00 H new ATOM 0 HA GLN A 57 19.678 16.105 -21.606 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.583 14.190 -20.517 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.215 15.831 -21.010 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.042 15.310 -23.288 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.350 13.660 -22.784 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.988 15.991 -23.763 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.607 14.890 -23.829 1.00 0.00 H new ATOM 944 N ILE A 58 19.173 15.276 -18.469 1.00 0.00 N ATOM 945 CA ILE A 58 19.153 15.765 -17.104 1.00 0.00 C ATOM 946 C ILE A 58 20.473 16.441 -16.758 1.00 0.00 C ATOM 947 O ILE A 58 20.499 17.516 -16.154 1.00 0.00 O ATOM 948 CB ILE A 58 18.882 14.604 -16.117 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.462 14.086 -16.285 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.119 15.031 -14.694 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.177 12.811 -15.530 1.00 0.00 C ATOM 0 H ILE A 58 19.080 14.263 -18.550 1.00 0.00 H new ATOM 0 HA ILE A 58 18.350 16.497 -17.017 1.00 0.00 H new ATOM 0 HB ILE A 58 19.580 13.799 -16.347 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.765 14.855 -15.953 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.271 13.918 -17.345 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.920 14.194 -14.025 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.155 15.351 -14.578 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.454 15.859 -14.447 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.144 12.509 -15.703 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.848 12.025 -15.877 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.333 12.977 -14.464 1.00 0.00 H new ATOM 963 N SER A 59 21.560 15.810 -17.160 1.00 0.00 N ATOM 964 CA SER A 59 22.884 16.329 -16.915 1.00 0.00 C ATOM 965 C SER A 59 23.070 17.697 -17.587 1.00 0.00 C ATOM 966 O SER A 59 23.644 18.606 -16.993 1.00 0.00 O ATOM 967 CB SER A 59 23.945 15.332 -17.400 1.00 0.00 C ATOM 968 OG SER A 59 25.263 15.789 -17.118 1.00 0.00 O ATOM 0 H SER A 59 21.546 14.924 -17.665 1.00 0.00 H new ATOM 0 HA SER A 59 23.006 16.467 -15.841 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.784 14.367 -16.920 1.00 0.00 H new ATOM 0 HB3 SER A 59 23.835 15.177 -18.473 1.00 0.00 H new ATOM 0 HG SER A 59 25.913 15.130 -17.439 1.00 0.00 H new ATOM 974 N GLN A 60 22.582 17.835 -18.826 1.00 0.00 N ATOM 975 CA GLN A 60 22.690 19.076 -19.549 1.00 0.00 C ATOM 976 C GLN A 60 21.918 20.179 -18.854 1.00 0.00 C ATOM 977 O GLN A 60 22.429 21.282 -18.670 1.00 0.00 O ATOM 978 CB GLN A 60 22.180 18.890 -20.945 1.00 0.00 C ATOM 979 CG GLN A 60 23.021 17.947 -21.772 1.00 0.00 C ATOM 980 CD GLN A 60 22.499 17.763 -23.185 1.00 0.00 C ATOM 981 OE1 GLN A 60 21.816 18.633 -23.729 1.00 0.00 O ATOM 982 NE2 GLN A 60 22.830 16.640 -23.791 1.00 0.00 N ATOM 0 H GLN A 60 22.109 17.090 -19.337 1.00 0.00 H new ATOM 0 HA GLN A 60 23.740 19.369 -19.582 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.159 18.512 -20.903 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.141 19.860 -21.441 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.043 18.325 -21.815 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.061 16.977 -21.277 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.397 15.946 -23.304 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.519 16.465 -24.747 1.00 0.00 H new ATOM 991 N ALA A 61 20.693 19.868 -18.447 1.00 0.00 N ATOM 992 CA ALA A 61 19.866 20.835 -17.714 1.00 0.00 C ATOM 993 C ALA A 61 20.587 21.282 -16.470 1.00 0.00 C ATOM 994 O ALA A 61 20.670 22.463 -16.192 1.00 0.00 O ATOM 995 CB ALA A 61 18.507 20.231 -17.343 1.00 0.00 C ATOM 0 H ALA A 61 20.248 18.964 -18.607 1.00 0.00 H new ATOM 0 HA ALA A 61 19.689 21.694 -18.361 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.916 20.970 -16.801 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.979 19.939 -18.251 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.658 19.354 -16.713 1.00 0.00 H new ATOM 1001 N TYR A 62 21.142 20.325 -15.753 1.00 0.00 N ATOM 1002 CA TYR A 62 21.885 20.603 -14.540 1.00 0.00 C ATOM 1003 C TYR A 62 23.079 21.508 -14.814 1.00 0.00 C ATOM 1004 O TYR A 62 23.346 22.425 -14.053 1.00 0.00 O ATOM 1005 CB TYR A 62 22.348 19.300 -13.879 1.00 0.00 C ATOM 1006 CG TYR A 62 23.239 19.512 -12.668 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.703 19.877 -11.441 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.615 19.346 -12.760 1.00 0.00 C ATOM 1009 CE1 TYR A 62 23.513 20.069 -10.339 1.00 0.00 C ATOM 1010 CE2 TYR A 62 25.431 19.535 -11.664 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.875 19.896 -10.455 1.00 0.00 C ATOM 1012 OH TYR A 62 25.684 20.095 -9.360 1.00 0.00 O ATOM 0 H TYR A 62 21.091 19.335 -15.994 1.00 0.00 H new ATOM 0 HA TYR A 62 21.216 21.126 -13.857 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.472 18.725 -13.578 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.886 18.701 -14.614 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.636 20.013 -11.346 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.054 19.064 -13.706 1.00 0.00 H new ATOM 0 HE1 TYR A 62 23.081 20.353 -9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.499 19.401 -11.752 1.00 0.00 H new ATOM 0 HH TYR A 62 26.618 19.931 -9.609 1.00 0.00 H new ATOM 1022 N GLU A 63 23.780 21.257 -15.907 1.00 0.00 N ATOM 1023 CA GLU A 63 24.980 22.011 -16.223 1.00 0.00 C ATOM 1024 C GLU A 63 24.705 23.514 -16.315 1.00 0.00 C ATOM 1025 O GLU A 63 25.444 24.321 -15.750 1.00 0.00 O ATOM 1026 CB GLU A 63 25.630 21.479 -17.498 1.00 0.00 C ATOM 1027 CG GLU A 63 27.004 22.067 -17.790 1.00 0.00 C ATOM 1028 CD GLU A 63 27.668 21.433 -18.997 1.00 0.00 C ATOM 1029 OE1 GLU A 63 27.967 20.218 -18.950 1.00 0.00 O ATOM 1030 OE2 GLU A 63 27.903 22.142 -19.988 1.00 0.00 O ATOM 0 H GLU A 63 23.539 20.538 -16.589 1.00 0.00 H new ATOM 0 HA GLU A 63 25.683 21.873 -15.402 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.720 20.395 -17.422 1.00 0.00 H new ATOM 0 HB3 GLU A 63 24.972 21.686 -18.342 1.00 0.00 H new ATOM 0 HG2 GLU A 63 26.908 23.140 -17.955 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.644 21.935 -16.917 1.00 0.00 H new ATOM 1037 N VAL A 64 23.659 23.882 -17.016 1.00 0.00 N ATOM 1038 CA VAL A 64 23.266 25.272 -17.137 1.00 0.00 C ATOM 1039 C VAL A 64 22.471 25.757 -15.905 1.00 0.00 C ATOM 1040 O VAL A 64 22.657 26.866 -15.453 1.00 0.00 O ATOM 1041 CB VAL A 64 22.497 25.516 -18.468 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.000 24.215 -19.042 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.350 26.465 -18.278 1.00 0.00 C ATOM 0 H VAL A 64 23.056 23.231 -17.519 1.00 0.00 H new ATOM 0 HA VAL A 64 24.175 25.873 -17.169 1.00 0.00 H new ATOM 0 HB VAL A 64 23.198 25.969 -19.169 1.00 0.00 H new ATOM 0 HG11 VAL A 64 21.465 24.408 -19.972 1.00 0.00 H new ATOM 0 HG12 VAL A 64 22.847 23.558 -19.240 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.328 23.736 -18.330 1.00 0.00 H new ATOM 0 HG21 VAL A 64 20.837 26.611 -19.229 1.00 0.00 H new ATOM 0 HG22 VAL A 64 20.653 26.052 -17.549 1.00 0.00 H new ATOM 0 HG23 VAL A 64 21.726 27.423 -17.918 1.00 0.00 H new ATOM 1053 N LEU A 65 21.610 24.903 -15.371 1.00 0.00 N ATOM 1054 CA LEU A 65 20.767 25.244 -14.215 1.00 0.00 C ATOM 1055 C LEU A 65 21.577 25.466 -12.938 1.00 0.00 C ATOM 1056 O LEU A 65 21.227 26.313 -12.121 1.00 0.00 O ATOM 1057 CB LEU A 65 19.635 24.219 -14.025 1.00 0.00 C ATOM 1058 CG LEU A 65 18.319 24.523 -14.807 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.588 25.023 -16.225 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.438 23.292 -14.867 1.00 0.00 C ATOM 0 H LEU A 65 21.470 23.955 -15.720 1.00 0.00 H new ATOM 0 HA LEU A 65 20.299 26.203 -14.435 1.00 0.00 H new ATOM 0 HB2 LEU A 65 20.001 23.238 -14.330 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.400 24.155 -12.963 1.00 0.00 H new ATOM 0 HG LEU A 65 17.808 25.317 -14.262 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.641 25.220 -16.727 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.174 25.941 -16.182 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.142 24.265 -16.779 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.525 23.524 -15.416 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.971 22.487 -15.373 1.00 0.00 H new ATOM 0 HD23 LEU A 65 17.183 22.978 -13.855 1.00 0.00 H new ATOM 1072 N SER A 66 22.658 24.714 -12.774 1.00 0.00 N ATOM 1073 CA SER A 66 23.508 24.859 -11.601 1.00 0.00 C ATOM 1074 C SER A 66 24.194 26.219 -11.598 1.00 0.00 C ATOM 1075 O SER A 66 24.410 26.813 -10.538 1.00 0.00 O ATOM 1076 CB SER A 66 24.549 23.738 -11.554 1.00 0.00 C ATOM 1077 OG SER A 66 25.338 23.713 -12.736 1.00 0.00 O ATOM 0 H SER A 66 22.965 24.001 -13.435 1.00 0.00 H new ATOM 0 HA SER A 66 22.880 24.789 -10.713 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.195 23.875 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.047 22.778 -11.429 1.00 0.00 H new ATOM 0 HG SER A 66 24.840 23.268 -13.453 1.00 0.00 H new ATOM 1083 N ASP A 67 24.516 26.717 -12.786 1.00 0.00 N ATOM 1084 CA ASP A 67 25.128 28.009 -12.921 1.00 0.00 C ATOM 1085 C ASP A 67 24.079 29.043 -13.240 1.00 0.00 C ATOM 1086 O ASP A 67 23.525 29.051 -14.333 1.00 0.00 O ATOM 1087 CB ASP A 67 26.178 28.008 -14.034 1.00 0.00 C ATOM 1088 CG ASP A 67 27.421 27.230 -13.688 1.00 0.00 C ATOM 1089 OD1 ASP A 67 27.924 27.370 -12.549 1.00 0.00 O ATOM 1090 OD2 ASP A 67 27.924 26.505 -14.567 1.00 0.00 O ATOM 0 H ASP A 67 24.357 26.232 -13.669 1.00 0.00 H new ATOM 0 HA ASP A 67 25.616 28.249 -11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.737 27.589 -14.938 1.00 0.00 H new ATOM 0 HB3 ASP A 67 26.455 29.037 -14.262 1.00 0.00 H new ATOM 1095 N ALA A 68 23.806 29.922 -12.293 1.00 0.00 N ATOM 1096 CA ALA A 68 22.821 30.979 -12.498 1.00 0.00 C ATOM 1097 C ALA A 68 23.162 31.787 -13.745 1.00 0.00 C ATOM 1098 O ALA A 68 22.281 32.339 -14.404 1.00 0.00 O ATOM 1099 CB ALA A 68 22.741 31.882 -11.276 1.00 0.00 C ATOM 0 H ALA A 68 24.249 29.929 -11.374 1.00 0.00 H new ATOM 0 HA ALA A 68 21.844 30.518 -12.643 1.00 0.00 H new ATOM 0 HB1 ALA A 68 22.001 32.664 -11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.450 31.293 -10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.715 32.338 -11.096 1.00 0.00 H new ATOM 1105 N LYS A 69 24.449 31.827 -14.068 1.00 0.00 N ATOM 1106 CA LYS A 69 24.927 32.531 -15.233 1.00 0.00 C ATOM 1107 C LYS A 69 24.416 31.849 -16.499 1.00 0.00 C ATOM 1108 O LYS A 69 23.762 32.475 -17.317 1.00 0.00 O ATOM 1109 CB LYS A 69 26.465 32.555 -15.229 1.00 0.00 C ATOM 1110 CG LYS A 69 27.092 33.356 -16.365 1.00 0.00 C ATOM 1111 CD LYS A 69 28.616 33.342 -16.274 1.00 0.00 C ATOM 1112 CE LYS A 69 29.258 34.151 -17.393 1.00 0.00 C ATOM 1113 NZ LYS A 69 30.740 34.141 -17.307 1.00 0.00 N ATOM 0 H LYS A 69 25.183 31.371 -13.526 1.00 0.00 H new ATOM 0 HA LYS A 69 24.555 33.555 -15.211 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.806 32.968 -14.280 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.831 31.530 -15.280 1.00 0.00 H new ATOM 0 HG2 LYS A 69 26.778 32.941 -17.323 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.732 34.384 -16.330 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.926 33.746 -15.310 1.00 0.00 H new ATOM 0 HD3 LYS A 69 28.973 32.313 -16.319 1.00 0.00 H new ATOM 0 HE2 LYS A 69 28.948 33.746 -18.357 1.00 0.00 H new ATOM 0 HE3 LYS A 69 28.899 35.179 -17.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 31.137 34.703 -18.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 31.038 34.551 -16.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 31.085 33.162 -17.375 1.00 0.00 H new ATOM 1127 N LYS A 70 24.669 30.536 -16.615 1.00 0.00 N ATOM 1128 CA LYS A 70 24.272 29.779 -17.787 1.00 0.00 C ATOM 1129 C LYS A 70 22.762 29.736 -17.922 1.00 0.00 C ATOM 1130 O LYS A 70 22.219 29.860 -19.023 1.00 0.00 O ATOM 1131 CB LYS A 70 24.845 28.367 -17.721 1.00 0.00 C ATOM 1132 CG LYS A 70 26.366 28.341 -17.652 1.00 0.00 C ATOM 1133 CD LYS A 70 26.946 27.323 -18.605 1.00 0.00 C ATOM 1134 CE LYS A 70 26.786 25.898 -18.125 1.00 0.00 C ATOM 1135 NZ LYS A 70 27.714 25.562 -17.012 1.00 0.00 N ATOM 0 H LYS A 70 25.149 29.985 -15.903 1.00 0.00 H new ATOM 0 HA LYS A 70 24.673 30.279 -18.669 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.439 27.857 -16.847 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.518 27.807 -18.597 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.759 29.329 -17.890 1.00 0.00 H new ATOM 0 HG3 LYS A 70 26.681 28.109 -16.635 1.00 0.00 H new ATOM 0 HD2 LYS A 70 26.464 27.428 -19.577 1.00 0.00 H new ATOM 0 HD3 LYS A 70 28.005 27.534 -18.751 1.00 0.00 H new ATOM 0 HE2 LYS A 70 25.759 25.742 -17.796 1.00 0.00 H new ATOM 0 HE3 LYS A 70 26.961 25.216 -18.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.374 24.710 -16.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.665 25.385 -17.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.753 26.356 -16.341 1.00 0.00 H new ATOM 1149 N ARG A 71 22.092 29.562 -16.794 1.00 0.00 N ATOM 1150 CA ARG A 71 20.638 29.527 -16.744 1.00 0.00 C ATOM 1151 C ARG A 71 20.055 30.811 -17.306 1.00 0.00 C ATOM 1152 O ARG A 71 19.098 30.793 -18.080 1.00 0.00 O ATOM 1153 CB ARG A 71 20.171 29.354 -15.295 1.00 0.00 C ATOM 1154 CG ARG A 71 18.661 29.257 -15.134 1.00 0.00 C ATOM 1155 CD ARG A 71 18.273 29.154 -13.671 1.00 0.00 C ATOM 1156 NE ARG A 71 16.822 29.124 -13.484 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.214 29.319 -12.306 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.942 29.572 -11.215 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.883 29.290 -12.228 1.00 0.00 N ATOM 0 H ARG A 71 22.541 29.441 -15.886 1.00 0.00 H new ATOM 0 HA ARG A 71 20.293 28.686 -17.345 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.628 28.454 -14.883 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.535 30.195 -14.705 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.188 30.133 -15.578 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.290 28.386 -15.674 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.711 28.252 -13.243 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.690 30.001 -13.126 1.00 0.00 H new ATOM 0 HE ARG A 71 16.238 28.944 -14.300 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.959 29.617 -11.280 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.481 29.721 -10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.327 29.119 -13.066 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.421 29.439 -11.331 1.00 0.00 H new ATOM 1173 N GLU A 72 20.657 31.919 -16.931 1.00 0.00 N ATOM 1174 CA GLU A 72 20.179 33.200 -17.307 1.00 0.00 C ATOM 1175 C GLU A 72 20.441 33.466 -18.776 1.00 0.00 C ATOM 1176 O GLU A 72 19.631 34.088 -19.454 1.00 0.00 O ATOM 1177 CB GLU A 72 20.809 34.258 -16.421 1.00 0.00 C ATOM 1178 CG GLU A 72 20.251 35.626 -16.645 1.00 0.00 C ATOM 1179 CD GLU A 72 20.712 36.618 -15.612 1.00 0.00 C ATOM 1180 OE1 GLU A 72 21.851 37.122 -15.719 1.00 0.00 O ATOM 1181 OE2 GLU A 72 19.934 36.900 -14.678 1.00 0.00 O ATOM 0 H GLU A 72 21.497 31.939 -16.353 1.00 0.00 H new ATOM 0 HA GLU A 72 19.099 33.236 -17.167 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.664 33.981 -15.377 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.884 34.278 -16.599 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.544 35.976 -17.635 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.162 35.576 -16.634 1.00 0.00 H new ATOM 1188 N LEU A 73 21.575 32.983 -19.270 1.00 0.00 N ATOM 1189 CA LEU A 73 21.917 33.153 -20.655 1.00 0.00 C ATOM 1190 C LEU A 73 20.927 32.402 -21.519 1.00 0.00 C ATOM 1191 O LEU A 73 20.481 32.901 -22.553 1.00 0.00 O ATOM 1192 CB LEU A 73 23.320 32.623 -20.914 1.00 0.00 C ATOM 1193 CG LEU A 73 24.407 33.138 -19.979 1.00 0.00 C ATOM 1194 CD1 LEU A 73 25.774 32.661 -20.415 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.353 34.646 -19.861 1.00 0.00 C ATOM 0 H LEU A 73 22.266 32.472 -18.722 1.00 0.00 H new ATOM 0 HA LEU A 73 21.884 34.214 -20.901 1.00 0.00 H new ATOM 0 HB2 LEU A 73 23.295 31.535 -20.847 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.599 32.873 -21.938 1.00 0.00 H new ATOM 0 HG LEU A 73 24.221 32.726 -18.987 1.00 0.00 H new ATOM 0 HD11 LEU A 73 26.529 33.044 -19.729 1.00 0.00 H new ATOM 0 HD12 LEU A 73 25.798 31.571 -20.409 1.00 0.00 H new ATOM 0 HD13 LEU A 73 25.982 33.023 -21.422 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.140 34.987 -19.188 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.498 35.093 -20.844 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.382 34.946 -19.466 1.00 0.00 H new ATOM 1207 N TYR A 74 20.591 31.190 -21.088 1.00 0.00 N ATOM 1208 CA TYR A 74 19.633 30.368 -21.801 1.00 0.00 C ATOM 1209 C TYR A 74 18.268 31.026 -21.820 1.00 0.00 C ATOM 1210 O TYR A 74 17.600 31.059 -22.842 1.00 0.00 O ATOM 1211 CB TYR A 74 19.526 28.974 -21.186 1.00 0.00 C ATOM 1212 CG TYR A 74 18.699 28.027 -22.035 1.00 0.00 C ATOM 1213 CD1 TYR A 74 19.226 27.473 -23.197 1.00 0.00 C ATOM 1214 CD2 TYR A 74 17.397 27.699 -21.684 1.00 0.00 C ATOM 1215 CE1 TYR A 74 18.475 26.620 -23.986 1.00 0.00 C ATOM 1216 CE2 TYR A 74 16.640 26.845 -22.467 1.00 0.00 C ATOM 1217 CZ TYR A 74 17.184 26.308 -23.617 1.00 0.00 C ATOM 1218 OH TYR A 74 16.432 25.456 -24.400 1.00 0.00 O ATOM 0 H TYR A 74 20.972 30.759 -20.246 1.00 0.00 H new ATOM 0 HA TYR A 74 19.993 30.265 -22.825 1.00 0.00 H new ATOM 0 HB2 TYR A 74 20.526 28.560 -21.055 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.080 29.051 -20.194 1.00 0.00 H new ATOM 0 HD1 TYR A 74 20.238 27.713 -23.488 1.00 0.00 H new ATOM 0 HD2 TYR A 74 16.968 28.117 -20.785 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.898 26.201 -24.887 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.628 26.600 -22.180 1.00 0.00 H new ATOM 0 HH TYR A 74 15.546 25.340 -23.999 1.00 0.00 H new ATOM 1228 N ASP A 75 17.866 31.534 -20.675 1.00 0.00 N ATOM 1229 CA ASP A 75 16.573 32.216 -20.524 1.00 0.00 C ATOM 1230 C ASP A 75 16.504 33.465 -21.407 1.00 0.00 C ATOM 1231 O ASP A 75 15.446 33.806 -21.950 1.00 0.00 O ATOM 1232 CB ASP A 75 16.347 32.595 -19.053 1.00 0.00 C ATOM 1233 CG ASP A 75 15.034 33.327 -18.815 1.00 0.00 C ATOM 1234 OD1 ASP A 75 13.969 32.693 -18.931 1.00 0.00 O ATOM 1235 OD2 ASP A 75 15.070 34.539 -18.486 1.00 0.00 O ATOM 0 H ASP A 75 18.416 31.493 -19.817 1.00 0.00 H new ATOM 0 HA ASP A 75 15.787 31.532 -20.842 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.366 31.691 -18.445 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.172 33.223 -18.716 1.00 0.00 H new ATOM 1240 N LYS A 76 17.633 34.144 -21.536 1.00 0.00 N ATOM 1241 CA LYS A 76 17.721 35.356 -22.345 1.00 0.00 C ATOM 1242 C LYS A 76 17.572 35.060 -23.845 1.00 0.00 C ATOM 1243 O LYS A 76 16.949 35.837 -24.586 1.00 0.00 O ATOM 1244 CB LYS A 76 19.047 36.072 -22.093 1.00 0.00 C ATOM 1245 CG LYS A 76 19.180 37.398 -22.831 1.00 0.00 C ATOM 1246 CD LYS A 76 20.536 38.024 -22.608 1.00 0.00 C ATOM 1247 CE LYS A 76 20.649 39.352 -23.335 1.00 0.00 C ATOM 1248 NZ LYS A 76 22.001 39.932 -23.213 1.00 0.00 N ATOM 0 H LYS A 76 18.509 33.876 -21.088 1.00 0.00 H new ATOM 0 HA LYS A 76 16.895 36.001 -22.046 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.155 36.250 -21.023 1.00 0.00 H new ATOM 0 HB3 LYS A 76 19.865 35.417 -22.392 1.00 0.00 H new ATOM 0 HG2 LYS A 76 19.023 37.239 -23.898 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.402 38.083 -22.493 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.700 38.175 -21.541 1.00 0.00 H new ATOM 0 HD3 LYS A 76 21.315 37.347 -22.958 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.408 39.211 -24.389 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.916 40.051 -22.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.037 40.838 -23.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.221 40.090 -22.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.698 39.277 -23.621 1.00 0.00 H new ATOM 1262 N GLY A 77 18.153 33.956 -24.285 1.00 0.00 N ATOM 1263 CA GLY A 77 18.148 33.623 -25.697 1.00 0.00 C ATOM 1264 C GLY A 77 17.349 32.382 -26.006 1.00 0.00 C ATOM 1265 O GLY A 77 17.699 31.662 -26.965 1.00 0.00 O ATOM 1266 OXT GLY A 77 16.362 32.125 -25.306 1.00 0.00 O ATOM 0 H GLY A 77 18.631 33.280 -23.688 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.740 34.461 -26.261 1.00 0.00 H new ATOM 0 HA3 GLY A 77 19.175 33.481 -26.035 1.00 0.00 H new