USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 759 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.078) USER MOD Single : A 19 LYS NZ :NH3+ -147:sc= 1.1 (180deg=0.291) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -130:sc= -0.338 (180deg=-6.75!) USER MOD Single : A 26 MET CE :methyl -152:sc= -1.05 (180deg=-3.86!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.82 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 142:sc= 0.39 (180deg=0.0035) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.925 F(o=-1.9,f=-0.92) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 59 THR OG1 : rot -126:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0753 USER MOD Single : A 76 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.107 K(o=-0.11,f=-1) USER MOD Single : A 79 SER OG : rot -47:sc= 0.0135 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -34:sc= 1.03 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 164:sc= -2.1 (180deg=-2.37) USER MOD Single : A 104 ASN : amide:sc= -1.02 X(o=-1,f=-0.89) USER MOD Single : A 108 MET CE :methyl 155:sc= 0 (180deg=-1.03) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 12.335 -20.108 15.585 1.00 0.00 N ATOM 256 CA LYS A 19 11.323 -19.331 16.292 1.00 0.00 C ATOM 257 C LYS A 19 10.578 -18.408 15.333 1.00 0.00 C ATOM 258 O LYS A 19 11.019 -18.181 14.206 1.00 0.00 O ATOM 259 CB LYS A 19 11.971 -18.508 17.408 1.00 0.00 C ATOM 260 CG LYS A 19 11.987 -19.214 18.753 1.00 0.00 C ATOM 261 CD LYS A 19 13.045 -20.304 18.797 1.00 0.00 C ATOM 262 CE LYS A 19 13.845 -20.252 20.089 1.00 0.00 C ATOM 263 NZ LYS A 19 15.033 -21.150 20.042 1.00 0.00 N ATOM 0 HA LYS A 19 10.607 -20.026 16.730 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.995 -18.266 17.122 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.436 -17.564 17.509 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.177 -18.488 19.544 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.007 -19.649 18.949 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.568 -21.280 18.702 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.718 -20.194 17.947 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.171 -19.228 20.274 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.206 -20.539 20.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.219 -21.530 20.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.849 -21.935 19.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.862 -20.613 19.716 1.00 0.00 H new ATOM 277 N TYR A 20 9.447 -17.879 15.787 1.00 0.00 N ATOM 278 CA TYR A 20 8.640 -16.982 14.968 1.00 0.00 C ATOM 279 C TYR A 20 7.904 -15.967 15.836 1.00 0.00 C ATOM 280 O TYR A 20 7.563 -16.248 16.986 1.00 0.00 O ATOM 281 CB TYR A 20 7.636 -17.782 14.136 1.00 0.00 C ATOM 282 CG TYR A 20 6.254 -17.838 14.745 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.947 -18.761 15.738 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.254 -16.968 14.329 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.685 -18.817 16.296 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.989 -17.016 14.883 1.00 0.00 C ATOM 287 CZ TYR A 20 3.710 -17.942 15.866 1.00 0.00 C ATOM 288 OH TYR A 20 2.452 -17.993 16.421 1.00 0.00 O ATOM 0 H TYR A 20 9.068 -18.056 16.717 1.00 0.00 H new ATOM 0 HA TYR A 20 9.309 -16.442 14.298 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.568 -17.341 13.141 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.010 -18.798 14.009 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.709 -19.446 16.079 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.469 -16.242 13.559 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.463 -19.542 17.065 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.223 -16.332 14.548 1.00 0.00 H new ATOM 0 HH TYR A 20 1.884 -17.309 16.008 1.00 0.00 H new ATOM 298 N ILE A 21 7.661 -14.786 15.278 1.00 0.00 N ATOM 299 CA ILE A 21 6.963 -13.729 15.999 1.00 0.00 C ATOM 300 C ILE A 21 6.115 -12.886 15.054 1.00 0.00 C ATOM 301 O ILE A 21 5.680 -11.789 15.404 1.00 0.00 O ATOM 302 CB ILE A 21 7.950 -12.810 16.744 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.935 -12.178 15.758 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.693 -13.590 17.817 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.719 -11.024 16.343 1.00 0.00 C ATOM 0 H ILE A 21 7.937 -14.537 14.328 1.00 0.00 H new ATOM 0 HA ILE A 21 6.314 -14.218 16.726 1.00 0.00 H new ATOM 0 HB ILE A 21 7.387 -12.012 17.228 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.632 -12.942 15.413 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.387 -11.828 14.883 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.386 -12.927 18.334 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.978 -13.997 18.532 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.248 -14.406 17.355 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.397 -10.625 15.588 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.031 -10.241 16.663 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.295 -11.373 17.200 1.00 0.00 H new ATOM 317 N GLY A 22 5.881 -13.407 13.853 1.00 0.00 N ATOM 318 CA GLY A 22 5.083 -12.689 12.876 1.00 0.00 C ATOM 319 C GLY A 22 5.529 -11.250 12.707 1.00 0.00 C ATOM 320 O GLY A 22 4.911 -10.335 13.251 1.00 0.00 O ATOM 0 H GLY A 22 6.230 -14.313 13.539 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.144 -13.200 11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.037 -12.708 13.181 1.00 0.00 H new ATOM 324 N ILE A 23 6.605 -11.051 11.953 1.00 0.00 N ATOM 325 CA ILE A 23 7.133 -9.713 11.716 1.00 0.00 C ATOM 326 C ILE A 23 7.818 -9.626 10.356 1.00 0.00 C ATOM 327 O ILE A 23 8.541 -10.539 9.954 1.00 0.00 O ATOM 328 CB ILE A 23 8.135 -9.301 12.811 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.357 -10.220 12.786 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.468 -9.333 14.178 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.596 -9.563 12.220 1.00 0.00 C ATOM 0 H ILE A 23 7.128 -11.798 11.496 1.00 0.00 H new ATOM 0 HA ILE A 23 6.284 -9.030 11.737 1.00 0.00 H new ATOM 0 HB ILE A 23 8.467 -8.282 12.615 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.567 -10.560 13.800 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.123 -11.106 12.195 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.189 -9.040 14.941 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.626 -8.641 14.188 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.111 -10.342 14.385 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.423 -10.273 12.233 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.405 -9.248 11.194 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.855 -8.693 12.824 1.00 0.00 H new ATOM 343 N ARG A 24 7.588 -8.522 9.654 1.00 0.00 N ATOM 344 CA ARG A 24 8.184 -8.315 8.339 1.00 0.00 C ATOM 345 C ARG A 24 9.175 -7.155 8.368 1.00 0.00 C ATOM 346 O ARG A 24 8.823 -6.035 8.736 1.00 0.00 O ATOM 347 CB ARG A 24 7.095 -8.044 7.299 1.00 0.00 C ATOM 348 CG ARG A 24 6.001 -9.098 7.275 1.00 0.00 C ATOM 349 CD ARG A 24 5.208 -9.049 5.978 1.00 0.00 C ATOM 350 NE ARG A 24 4.512 -10.305 5.713 1.00 0.00 N ATOM 351 CZ ARG A 24 3.940 -10.598 4.551 1.00 0.00 C ATOM 352 NH1 ARG A 24 3.980 -9.728 3.551 1.00 0.00 N ATOM 353 NH2 ARG A 24 3.325 -11.762 4.387 1.00 0.00 N ATOM 0 H ARG A 24 6.994 -7.757 9.973 1.00 0.00 H new ATOM 0 HA ARG A 24 8.721 -9.223 8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.646 -7.071 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.553 -7.986 6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.444 -10.087 7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.329 -8.946 8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.483 -8.237 6.027 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.881 -8.826 5.150 1.00 0.00 H new ATOM 0 HE ARG A 24 4.462 -10.996 6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.451 -8.832 3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.540 -9.955 2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.291 -12.433 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.886 -11.986 3.494 1.00 0.00 H new ATOM 367 N MET A 25 10.414 -7.432 7.977 1.00 0.00 N ATOM 368 CA MET A 25 11.456 -6.412 7.957 1.00 0.00 C ATOM 369 C MET A 25 12.286 -6.507 6.681 1.00 0.00 C ATOM 370 O MET A 25 12.334 -7.554 6.038 1.00 0.00 O ATOM 371 CB MET A 25 12.362 -6.554 9.182 1.00 0.00 C ATOM 372 CG MET A 25 11.601 -6.774 10.479 1.00 0.00 C ATOM 373 SD MET A 25 12.688 -6.858 11.916 1.00 0.00 S ATOM 374 CE MET A 25 13.596 -8.361 11.566 1.00 0.00 C ATOM 0 H MET A 25 10.721 -8.355 7.670 1.00 0.00 H new ATOM 0 HA MET A 25 10.974 -5.435 7.983 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.044 -7.390 9.024 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.974 -5.657 9.277 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.884 -5.964 10.617 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.028 -7.698 10.407 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.578 -9.009 12.442 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.135 -8.877 10.723 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.628 -8.113 11.319 1.00 0.00 H new ATOM 384 N MET A 26 12.938 -5.406 6.322 1.00 0.00 N ATOM 385 CA MET A 26 13.767 -5.366 5.122 1.00 0.00 C ATOM 386 C MET A 26 15.163 -4.842 5.444 1.00 0.00 C ATOM 387 O MET A 26 15.318 -3.894 6.213 1.00 0.00 O ATOM 388 CB MET A 26 13.113 -4.489 4.053 1.00 0.00 C ATOM 389 CG MET A 26 12.967 -3.034 4.467 1.00 0.00 C ATOM 390 SD MET A 26 13.816 -1.905 3.346 1.00 0.00 S ATOM 391 CE MET A 26 13.114 -0.336 3.850 1.00 0.00 C ATOM 0 H MET A 26 12.909 -4.530 6.844 1.00 0.00 H new ATOM 0 HA MET A 26 13.859 -6.383 4.740 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.706 -4.541 3.140 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.128 -4.892 3.817 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.909 -2.775 4.505 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.363 -2.905 5.475 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.121 0.354 3.006 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.088 -0.488 4.187 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.705 0.082 4.665 1.00 0.00 H new ATOM 401 N SER A 27 16.176 -5.465 4.849 1.00 0.00 N ATOM 402 CA SER A 27 17.559 -5.063 5.076 1.00 0.00 C ATOM 403 C SER A 27 17.735 -3.565 4.841 1.00 0.00 C ATOM 404 O SER A 27 17.688 -3.094 3.704 1.00 0.00 O ATOM 405 CB SER A 27 18.497 -5.848 4.158 1.00 0.00 C ATOM 406 OG SER A 27 19.383 -6.661 4.908 1.00 0.00 O ATOM 0 H SER A 27 16.065 -6.249 4.207 1.00 0.00 H new ATOM 0 HA SER A 27 17.810 -5.282 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 27 17.912 -6.471 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 27 19.069 -5.156 3.540 1.00 0.00 H new ATOM 0 HG SER A 27 19.971 -7.154 4.298 1.00 0.00 H new ATOM 412 N LEU A 28 17.937 -2.823 5.924 1.00 0.00 N ATOM 413 CA LEU A 28 18.120 -1.378 5.838 1.00 0.00 C ATOM 414 C LEU A 28 19.470 -1.037 5.215 1.00 0.00 C ATOM 415 O LEU A 28 20.467 -1.720 5.453 1.00 0.00 O ATOM 416 CB LEU A 28 18.012 -0.747 7.227 1.00 0.00 C ATOM 417 CG LEU A 28 16.901 0.287 7.410 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.805 0.716 8.866 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.142 1.492 6.512 1.00 0.00 C ATOM 0 H LEU A 28 17.978 -3.198 6.872 1.00 0.00 H new ATOM 0 HA LEU A 28 17.334 -0.974 5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.863 -1.544 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.965 -0.273 7.464 1.00 0.00 H new ATOM 0 HG LEU A 28 15.954 -0.171 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.009 1.452 8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.585 -0.152 9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.752 1.156 9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.342 2.218 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.098 1.950 6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.159 1.172 5.470 1.00 0.00 H new ATOM 431 N THR A 29 19.497 0.026 4.418 1.00 0.00 N ATOM 432 CA THR A 29 20.724 0.460 3.762 1.00 0.00 C ATOM 433 C THR A 29 21.030 1.919 4.078 1.00 0.00 C ATOM 434 O THR A 29 20.141 2.682 4.455 1.00 0.00 O ATOM 435 CB THR A 29 20.636 0.285 2.234 1.00 0.00 C ATOM 436 OG1 THR A 29 19.763 1.274 1.677 1.00 0.00 O ATOM 437 CG2 THR A 29 20.130 -1.105 1.876 1.00 0.00 C ATOM 0 H THR A 29 18.682 0.603 4.211 1.00 0.00 H new ATOM 0 HA THR A 29 21.527 -0.168 4.147 1.00 0.00 H new ATOM 0 HB THR A 29 21.636 0.408 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.714 1.157 0.705 1.00 0.00 H new ATOM 0 HG21 THR A 29 20.076 -1.205 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.813 -1.855 2.276 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.138 -1.252 2.303 1.00 0.00 H new ATOM 445 N SER A 30 22.294 2.301 3.922 1.00 0.00 N ATOM 446 CA SER A 30 22.718 3.669 4.194 1.00 0.00 C ATOM 447 C SER A 30 21.906 4.663 3.370 1.00 0.00 C ATOM 448 O SER A 30 21.736 5.818 3.762 1.00 0.00 O ATOM 449 CB SER A 30 24.208 3.833 3.888 1.00 0.00 C ATOM 450 OG SER A 30 24.922 2.642 4.172 1.00 0.00 O ATOM 0 H SER A 30 23.042 1.682 3.609 1.00 0.00 H new ATOM 0 HA SER A 30 22.546 3.874 5.251 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.340 4.098 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.615 4.654 4.478 1.00 0.00 H new ATOM 0 HG SER A 30 25.871 2.773 3.966 1.00 0.00 H new ATOM 456 N SER A 31 21.407 4.206 2.226 1.00 0.00 N ATOM 457 CA SER A 31 20.615 5.056 1.344 1.00 0.00 C ATOM 458 C SER A 31 19.147 5.050 1.758 1.00 0.00 C ATOM 459 O SER A 31 18.493 6.093 1.785 1.00 0.00 O ATOM 460 CB SER A 31 20.750 4.587 -0.106 1.00 0.00 C ATOM 461 OG SER A 31 20.890 5.688 -0.987 1.00 0.00 O ATOM 0 H SER A 31 21.537 3.252 1.888 1.00 0.00 H new ATOM 0 HA SER A 31 20.993 6.075 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.615 3.930 -0.200 1.00 0.00 H new ATOM 0 HB3 SER A 31 19.873 4.003 -0.386 1.00 0.00 H new ATOM 0 HG SER A 31 20.976 5.362 -1.907 1.00 0.00 H new ATOM 467 N LYS A 32 18.634 3.868 2.080 1.00 0.00 N ATOM 468 CA LYS A 32 17.244 3.723 2.494 1.00 0.00 C ATOM 469 C LYS A 32 16.978 4.489 3.787 1.00 0.00 C ATOM 470 O LYS A 32 15.942 5.135 3.935 1.00 0.00 O ATOM 471 CB LYS A 32 16.898 2.245 2.685 1.00 0.00 C ATOM 472 CG LYS A 32 15.420 1.992 2.930 1.00 0.00 C ATOM 473 CD LYS A 32 14.588 2.315 1.701 1.00 0.00 C ATOM 474 CE LYS A 32 14.860 1.335 0.570 1.00 0.00 C ATOM 475 NZ LYS A 32 15.274 2.030 -0.680 1.00 0.00 N ATOM 0 H LYS A 32 19.161 2.995 2.062 1.00 0.00 H new ATOM 0 HA LYS A 32 16.613 4.139 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.211 1.690 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.469 1.853 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.270 0.949 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.081 2.598 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.529 2.289 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.809 3.329 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.641 0.638 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.964 0.745 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.450 1.327 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.518 2.676 -0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.144 2.573 -0.504 1.00 0.00 H new ATOM 489 N ALA A 33 17.923 4.413 4.719 1.00 0.00 N ATOM 490 CA ALA A 33 17.792 5.102 5.997 1.00 0.00 C ATOM 491 C ALA A 33 17.902 6.612 5.820 1.00 0.00 C ATOM 492 O ALA A 33 17.087 7.371 6.345 1.00 0.00 O ATOM 493 CB ALA A 33 18.847 4.604 6.974 1.00 0.00 C ATOM 0 H ALA A 33 18.787 3.881 4.613 1.00 0.00 H new ATOM 0 HA ALA A 33 16.804 4.882 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.738 5.126 7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.720 3.533 7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.840 4.795 6.566 1.00 0.00 H new ATOM 499 N LYS A 34 18.916 7.044 5.077 1.00 0.00 N ATOM 500 CA LYS A 34 19.134 8.464 4.830 1.00 0.00 C ATOM 501 C LYS A 34 17.917 9.092 4.157 1.00 0.00 C ATOM 502 O LYS A 34 17.634 10.275 4.346 1.00 0.00 O ATOM 503 CB LYS A 34 20.374 8.667 3.957 1.00 0.00 C ATOM 504 CG LYS A 34 21.627 9.002 4.748 1.00 0.00 C ATOM 505 CD LYS A 34 22.846 9.098 3.846 1.00 0.00 C ATOM 506 CE LYS A 34 24.016 8.302 4.404 1.00 0.00 C ATOM 507 NZ LYS A 34 24.714 9.035 5.497 1.00 0.00 N ATOM 0 H LYS A 34 19.600 6.430 4.635 1.00 0.00 H new ATOM 0 HA LYS A 34 19.290 8.954 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.552 7.761 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.179 9.469 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.486 9.947 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.794 8.238 5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.594 8.729 2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.136 10.143 3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.657 7.344 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 34 24.723 8.085 3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.505 8.460 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.079 9.938 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.046 9.220 6.273 1.00 0.00 H new ATOM 521 N GLU A 35 17.202 8.292 3.373 1.00 0.00 N ATOM 522 CA GLU A 35 16.015 8.771 2.674 1.00 0.00 C ATOM 523 C GLU A 35 14.765 8.574 3.526 1.00 0.00 C ATOM 524 O GLU A 35 13.776 9.293 3.373 1.00 0.00 O ATOM 525 CB GLU A 35 15.855 8.042 1.338 1.00 0.00 C ATOM 526 CG GLU A 35 16.911 8.415 0.311 1.00 0.00 C ATOM 527 CD GLU A 35 16.789 9.853 -0.156 1.00 0.00 C ATOM 528 OE1 GLU A 35 15.920 10.129 -1.009 1.00 0.00 O ATOM 529 OE2 GLU A 35 17.564 10.702 0.333 1.00 0.00 O ATOM 0 H GLU A 35 17.423 7.310 3.206 1.00 0.00 H new ATOM 0 HA GLU A 35 16.141 9.837 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.894 6.967 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.869 8.262 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.901 8.259 0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.828 7.750 -0.548 1.00 0.00 H new ATOM 536 N LEU A 36 14.815 7.596 4.423 1.00 0.00 N ATOM 537 CA LEU A 36 13.687 7.303 5.300 1.00 0.00 C ATOM 538 C LEU A 36 13.448 8.447 6.280 1.00 0.00 C ATOM 539 O LEU A 36 12.317 8.691 6.703 1.00 0.00 O ATOM 540 CB LEU A 36 13.935 6.003 6.066 1.00 0.00 C ATOM 541 CG LEU A 36 13.392 4.728 5.420 1.00 0.00 C ATOM 542 CD1 LEU A 36 13.931 3.497 6.132 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.870 4.730 5.435 1.00 0.00 C ATOM 0 H LEU A 36 15.625 6.992 4.562 1.00 0.00 H new ATOM 0 HA LEU A 36 12.797 7.188 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.010 5.886 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.494 6.100 7.058 1.00 0.00 H new ATOM 0 HG LEU A 36 13.726 4.698 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.534 2.599 5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.019 3.488 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.627 3.520 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.500 3.815 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.516 4.783 6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.502 5.593 4.880 1.00 0.00 H new ATOM 555 N LYS A 37 14.519 9.147 6.637 1.00 0.00 N ATOM 556 CA LYS A 37 14.427 10.268 7.565 1.00 0.00 C ATOM 557 C LYS A 37 13.974 11.534 6.845 1.00 0.00 C ATOM 558 O LYS A 37 13.342 12.406 7.441 1.00 0.00 O ATOM 559 CB LYS A 37 15.779 10.509 8.241 1.00 0.00 C ATOM 560 CG LYS A 37 15.666 11.146 9.615 1.00 0.00 C ATOM 561 CD LYS A 37 16.880 10.836 10.474 1.00 0.00 C ATOM 562 CE LYS A 37 16.953 11.750 11.688 1.00 0.00 C ATOM 563 NZ LYS A 37 18.309 12.341 11.857 1.00 0.00 N ATOM 0 H LYS A 37 15.462 8.958 6.297 1.00 0.00 H new ATOM 0 HA LYS A 37 13.687 10.019 8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.305 9.559 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.387 11.149 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.560 12.226 9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.766 10.785 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.839 9.797 10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.786 10.947 9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.219 12.549 11.585 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.688 11.187 12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.221 13.325 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.842 11.791 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.812 12.321 10.947 1.00 0.00 H new ATOM 577 N ASP A 38 14.299 11.628 5.560 1.00 0.00 N ATOM 578 CA ASP A 38 13.923 12.786 4.758 1.00 0.00 C ATOM 579 C ASP A 38 12.445 12.730 4.382 1.00 0.00 C ATOM 580 O ASP A 38 11.814 13.761 4.150 1.00 0.00 O ATOM 581 CB ASP A 38 14.781 12.859 3.495 1.00 0.00 C ATOM 582 CG ASP A 38 15.776 14.003 3.536 1.00 0.00 C ATOM 583 OD1 ASP A 38 16.868 13.819 4.114 1.00 0.00 O ATOM 584 OD2 ASP A 38 15.463 15.081 2.990 1.00 0.00 O ATOM 0 H ASP A 38 14.822 10.915 5.051 1.00 0.00 H new ATOM 0 HA ASP A 38 14.094 13.682 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.318 11.919 3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.134 12.975 2.626 1.00 0.00 H new ATOM 589 N ARG A 39 11.901 11.519 4.322 1.00 0.00 N ATOM 590 CA ARG A 39 10.499 11.328 3.971 1.00 0.00 C ATOM 591 C ARG A 39 9.651 11.110 5.221 1.00 0.00 C ATOM 592 O ARG A 39 8.542 11.635 5.330 1.00 0.00 O ATOM 593 CB ARG A 39 10.346 10.136 3.024 1.00 0.00 C ATOM 594 CG ARG A 39 10.388 10.518 1.553 1.00 0.00 C ATOM 595 CD ARG A 39 9.955 9.362 0.665 1.00 0.00 C ATOM 596 NE ARG A 39 8.981 9.779 -0.340 1.00 0.00 N ATOM 597 CZ ARG A 39 8.564 8.995 -1.328 1.00 0.00 C ATOM 598 NH1 ARG A 39 9.032 7.760 -1.443 1.00 0.00 N ATOM 599 NH2 ARG A 39 7.675 9.447 -2.204 1.00 0.00 N ATOM 0 H ARG A 39 12.410 10.656 4.512 1.00 0.00 H new ATOM 0 HA ARG A 39 10.150 12.230 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.140 9.417 3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.401 9.635 3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.737 11.375 1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.399 10.826 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.829 8.939 0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.525 8.573 1.281 1.00 0.00 H new ATOM 0 HE ARG A 39 8.600 10.723 -0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.715 7.409 -0.771 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.709 7.161 -2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.312 10.396 -2.119 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.355 8.845 -2.963 1.00 0.00 H new ATOM 613 N HIS A 40 10.179 10.333 6.161 1.00 0.00 N ATOM 614 CA HIS A 40 9.471 10.046 7.403 1.00 0.00 C ATOM 615 C HIS A 40 10.089 10.810 8.570 1.00 0.00 C ATOM 616 O HIS A 40 11.126 10.416 9.103 1.00 0.00 O ATOM 617 CB HIS A 40 9.494 8.545 7.692 1.00 0.00 C ATOM 618 CG HIS A 40 9.148 7.700 6.505 1.00 0.00 C ATOM 619 ND1 HIS A 40 9.869 7.384 5.403 1.00 0.00 N flip ATOM 620 CD2 HIS A 40 7.930 7.071 6.357 1.00 0.00 C flip ATOM 621 CE1 HIS A 40 9.082 6.577 4.619 1.00 0.00 C flip ATOM 622 NE2 HIS A 40 7.917 6.403 5.218 1.00 0.00 N flip ATOM 0 H HIS A 40 11.095 9.891 6.086 1.00 0.00 H new ATOM 0 HA HIS A 40 8.437 10.371 7.286 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.486 8.267 8.048 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.793 8.328 8.498 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.114 7.117 7.063 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.368 6.153 3.668 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.140 5.847 4.861 1.00 0.00 H new ATOM 630 N ARG A 41 9.445 11.906 8.960 1.00 0.00 N ATOM 631 CA ARG A 41 9.933 12.727 10.062 1.00 0.00 C ATOM 632 C ARG A 41 9.845 11.969 11.384 1.00 0.00 C ATOM 633 O ARG A 41 10.608 12.233 12.313 1.00 0.00 O ATOM 634 CB ARG A 41 9.130 14.026 10.152 1.00 0.00 C ATOM 635 CG ARG A 41 8.906 14.698 8.807 1.00 0.00 C ATOM 636 CD ARG A 41 9.306 16.165 8.844 1.00 0.00 C ATOM 637 NE ARG A 41 8.574 16.906 9.867 1.00 0.00 N ATOM 638 CZ ARG A 41 8.523 18.233 9.918 1.00 0.00 C ATOM 639 NH1 ARG A 41 9.157 18.959 9.008 1.00 0.00 N ATOM 640 NH2 ARG A 41 7.836 18.835 10.880 1.00 0.00 N ATOM 0 H ARG A 41 8.585 12.245 8.529 1.00 0.00 H new ATOM 0 HA ARG A 41 10.979 12.967 9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.163 13.815 10.609 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.650 14.719 10.813 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.483 14.181 8.040 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.856 14.613 8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.376 16.244 9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.122 16.616 7.869 1.00 0.00 H new ATOM 0 HE ARG A 41 8.075 16.376 10.581 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.685 18.499 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.116 19.977 9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.346 18.279 11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.797 19.854 10.918 1.00 0.00 H new ATOM 654 N ASP A 42 8.910 11.029 11.460 1.00 0.00 N ATOM 655 CA ASP A 42 8.723 10.233 12.667 1.00 0.00 C ATOM 656 C ASP A 42 9.949 9.368 12.944 1.00 0.00 C ATOM 657 O ASP A 42 10.204 8.980 14.084 1.00 0.00 O ATOM 658 CB ASP A 42 7.481 9.350 12.535 1.00 0.00 C ATOM 659 CG ASP A 42 7.059 8.741 13.858 1.00 0.00 C ATOM 660 OD1 ASP A 42 7.438 9.292 14.912 1.00 0.00 O ATOM 661 OD2 ASP A 42 6.349 7.714 13.838 1.00 0.00 O ATOM 0 H ASP A 42 8.270 10.799 10.700 1.00 0.00 H new ATOM 0 HA ASP A 42 8.586 10.917 13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.659 9.942 12.133 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.680 8.553 11.819 1.00 0.00 H new ATOM 666 N PHE A 43 10.705 9.069 11.893 1.00 0.00 N ATOM 667 CA PHE A 43 11.904 8.249 12.022 1.00 0.00 C ATOM 668 C PHE A 43 12.865 8.848 13.044 1.00 0.00 C ATOM 669 O PHE A 43 13.066 10.061 13.110 1.00 0.00 O ATOM 670 CB PHE A 43 12.602 8.112 10.667 1.00 0.00 C ATOM 671 CG PHE A 43 13.071 6.716 10.373 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.170 5.732 10.001 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.414 6.388 10.467 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.599 4.447 9.730 1.00 0.00 C ATOM 675 CE2 PHE A 43 14.849 5.104 10.197 1.00 0.00 C ATOM 676 CZ PHE A 43 13.940 4.133 9.827 1.00 0.00 C ATOM 0 H PHE A 43 10.509 9.382 10.942 1.00 0.00 H new ATOM 0 HA PHE A 43 11.603 7.261 12.369 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.917 8.430 9.881 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.457 8.788 10.638 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.120 5.972 9.922 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.129 7.144 10.755 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.886 3.689 9.442 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.898 4.861 10.275 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.277 3.129 9.614 1.00 0.00 H new ATOM 686 N PRO A 44 13.475 7.977 13.863 1.00 0.00 N ATOM 687 CA PRO A 44 14.425 8.396 14.897 1.00 0.00 C ATOM 688 C PRO A 44 15.735 8.909 14.308 1.00 0.00 C ATOM 689 O PRO A 44 15.845 9.110 13.099 1.00 0.00 O ATOM 690 CB PRO A 44 14.666 7.113 15.698 1.00 0.00 C ATOM 691 CG PRO A 44 14.376 6.009 14.741 1.00 0.00 C ATOM 692 CD PRO A 44 13.284 6.517 13.841 1.00 0.00 C ATOM 0 HA PRO A 44 14.039 9.222 15.494 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.692 7.061 16.063 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.014 7.062 16.570 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.265 5.747 14.167 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.060 5.109 15.268 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.375 6.115 12.832 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.297 6.235 14.208 1.00 0.00 H new ATOM 700 N ASP A 45 16.724 9.119 15.170 1.00 0.00 N ATOM 701 CA ASP A 45 18.027 9.607 14.734 1.00 0.00 C ATOM 702 C ASP A 45 18.988 8.448 14.488 1.00 0.00 C ATOM 703 O ASP A 45 20.153 8.500 14.880 1.00 0.00 O ATOM 704 CB ASP A 45 18.613 10.560 15.777 1.00 0.00 C ATOM 705 CG ASP A 45 19.700 11.448 15.205 1.00 0.00 C ATOM 706 OD1 ASP A 45 20.109 11.214 14.048 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.140 12.377 15.912 1.00 0.00 O ATOM 0 H ASP A 45 16.648 8.959 16.174 1.00 0.00 H new ATOM 0 HA ASP A 45 17.890 10.146 13.797 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.816 11.183 16.184 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.020 9.981 16.606 1.00 0.00 H new ATOM 712 N VAL A 46 18.490 7.401 13.838 1.00 0.00 N ATOM 713 CA VAL A 46 19.303 6.229 13.540 1.00 0.00 C ATOM 714 C VAL A 46 19.189 5.839 12.070 1.00 0.00 C ATOM 715 O VAL A 46 18.244 6.233 11.385 1.00 0.00 O ATOM 716 CB VAL A 46 18.895 5.026 14.411 1.00 0.00 C ATOM 717 CG1 VAL A 46 18.925 5.400 15.885 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.518 4.520 14.009 1.00 0.00 C ATOM 0 H VAL A 46 17.527 7.341 13.508 1.00 0.00 H new ATOM 0 HA VAL A 46 20.336 6.497 13.763 1.00 0.00 H new ATOM 0 HB VAL A 46 19.613 4.222 14.250 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.634 4.538 16.485 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.933 5.711 16.161 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.230 6.220 16.067 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.246 3.670 14.635 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.785 5.316 14.140 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.535 4.211 12.964 1.00 0.00 H new ATOM 728 N ILE A 47 20.157 5.065 11.592 1.00 0.00 N ATOM 729 CA ILE A 47 20.164 4.621 10.204 1.00 0.00 C ATOM 730 C ILE A 47 20.905 3.297 10.054 1.00 0.00 C ATOM 731 O ILE A 47 21.485 3.014 9.006 1.00 0.00 O ATOM 732 CB ILE A 47 20.815 5.668 9.281 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.145 6.142 9.870 1.00 0.00 C ATOM 734 CG2 ILE A 47 19.874 6.845 9.069 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.093 6.714 8.839 1.00 0.00 C ATOM 0 H ILE A 47 20.947 4.732 12.145 1.00 0.00 H new ATOM 0 HA ILE A 47 19.123 4.487 9.911 1.00 0.00 H new ATOM 0 HB ILE A 47 21.012 5.206 8.314 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.948 6.899 10.630 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.630 5.305 10.372 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.348 7.577 8.415 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.949 6.494 8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.650 7.309 10.029 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.015 7.030 9.328 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.320 5.953 8.092 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.628 7.572 8.353 1.00 0.00 H new ATOM 747 N SER A 48 20.880 2.488 11.108 1.00 0.00 N ATOM 748 CA SER A 48 21.551 1.193 11.095 1.00 0.00 C ATOM 749 C SER A 48 20.860 0.213 12.038 1.00 0.00 C ATOM 750 O SER A 48 20.973 0.324 13.258 1.00 0.00 O ATOM 751 CB SER A 48 23.020 1.353 11.493 1.00 0.00 C ATOM 752 OG SER A 48 23.700 2.218 10.600 1.00 0.00 O ATOM 0 H SER A 48 20.402 2.706 11.982 1.00 0.00 H new ATOM 0 HA SER A 48 21.497 0.793 10.082 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.084 1.749 12.507 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.506 0.377 11.500 1.00 0.00 H new ATOM 0 HG SER A 48 24.636 2.305 10.877 1.00 0.00 H new ATOM 758 N GLY A 49 20.144 -0.748 11.461 1.00 0.00 N ATOM 759 CA GLY A 49 19.444 -1.734 12.264 1.00 0.00 C ATOM 760 C GLY A 49 18.400 -2.493 11.469 1.00 0.00 C ATOM 761 O GLY A 49 18.565 -2.719 10.271 1.00 0.00 O ATOM 0 H GLY A 49 20.036 -0.861 10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.165 -2.439 12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.964 -1.237 13.107 1.00 0.00 H new ATOM 765 N ALA A 50 17.321 -2.888 12.138 1.00 0.00 N ATOM 766 CA ALA A 50 16.246 -3.625 11.487 1.00 0.00 C ATOM 767 C ALA A 50 14.999 -2.760 11.340 1.00 0.00 C ATOM 768 O ALA A 50 14.419 -2.316 12.331 1.00 0.00 O ATOM 769 CB ALA A 50 15.924 -4.890 12.269 1.00 0.00 C ATOM 0 H ALA A 50 17.169 -2.709 13.131 1.00 0.00 H new ATOM 0 HA ALA A 50 16.583 -3.904 10.489 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.119 -5.431 11.771 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.810 -5.523 12.318 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.612 -4.624 13.279 1.00 0.00 H new ATOM 775 N TYR A 51 14.591 -2.525 10.097 1.00 0.00 N ATOM 776 CA TYR A 51 13.414 -1.710 9.821 1.00 0.00 C ATOM 777 C TYR A 51 12.162 -2.577 9.726 1.00 0.00 C ATOM 778 O TYR A 51 12.056 -3.442 8.856 1.00 0.00 O ATOM 779 CB TYR A 51 13.604 -0.926 8.521 1.00 0.00 C ATOM 780 CG TYR A 51 12.354 -0.215 8.055 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.900 0.928 8.701 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.627 -0.686 6.969 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.758 1.581 8.279 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.485 -0.039 6.539 1.00 0.00 C ATOM 785 CZ TYR A 51 10.054 1.094 7.197 1.00 0.00 C ATOM 786 OH TYR A 51 8.916 1.741 6.773 1.00 0.00 O ATOM 0 H TYR A 51 15.058 -2.887 9.266 1.00 0.00 H new ATOM 0 HA TYR A 51 13.287 -1.009 10.646 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.398 -0.193 8.662 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.936 -1.609 7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.449 1.313 9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.961 -1.574 6.452 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.418 2.468 8.793 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.932 -0.418 5.692 1.00 0.00 H new ATOM 0 HH TYR A 51 8.541 1.270 6.000 1.00 0.00 H new ATOM 796 N ILE A 52 11.215 -2.338 10.628 1.00 0.00 N ATOM 797 CA ILE A 52 9.969 -3.094 10.646 1.00 0.00 C ATOM 798 C ILE A 52 8.955 -2.507 9.670 1.00 0.00 C ATOM 799 O ILE A 52 8.535 -1.358 9.813 1.00 0.00 O ATOM 800 CB ILE A 52 9.350 -3.126 12.056 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.330 -3.749 13.053 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.039 -3.896 12.041 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.798 -3.805 14.467 1.00 0.00 C ATOM 0 H ILE A 52 11.287 -1.627 11.356 1.00 0.00 H new ATOM 0 HA ILE A 52 10.213 -4.112 10.343 1.00 0.00 H new ATOM 0 HB ILE A 52 9.144 -2.103 12.370 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.576 -4.759 12.726 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.258 -3.176 13.045 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.614 -3.910 13.045 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.341 -3.413 11.358 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.221 -4.918 11.710 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.545 -4.258 15.119 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.579 -2.795 14.813 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.887 -4.402 14.489 1.00 0.00 H new ATOM 815 N ILE A 53 8.564 -3.303 8.681 1.00 0.00 N ATOM 816 CA ILE A 53 7.597 -2.862 7.684 1.00 0.00 C ATOM 817 C ILE A 53 6.171 -3.168 8.128 1.00 0.00 C ATOM 818 O ILE A 53 5.225 -2.497 7.718 1.00 0.00 O ATOM 819 CB ILE A 53 7.851 -3.530 6.319 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.332 -3.432 5.947 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.986 -2.887 5.245 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.677 -4.127 4.649 1.00 0.00 C ATOM 0 H ILE A 53 8.902 -4.256 8.549 1.00 0.00 H new ATOM 0 HA ILE A 53 7.720 -1.784 7.581 1.00 0.00 H new ATOM 0 HB ILE A 53 7.582 -4.584 6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.610 -2.381 5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.929 -3.863 6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.177 -3.370 4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.934 -3.003 5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.226 -1.826 5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.743 -4.016 4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.430 -5.186 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.107 -3.680 3.834 1.00 0.00 H new ATOM 834 N GLU A 54 6.025 -4.186 8.971 1.00 0.00 N ATOM 835 CA GLU A 54 4.714 -4.580 9.473 1.00 0.00 C ATOM 836 C GLU A 54 4.837 -5.718 10.483 1.00 0.00 C ATOM 837 O GLU A 54 5.648 -6.628 10.313 1.00 0.00 O ATOM 838 CB GLU A 54 3.808 -5.006 8.316 1.00 0.00 C ATOM 839 CG GLU A 54 2.465 -5.558 8.766 1.00 0.00 C ATOM 840 CD GLU A 54 1.330 -5.154 7.845 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.084 -5.876 6.856 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.688 -4.117 8.113 1.00 0.00 O ATOM 0 H GLU A 54 6.798 -4.752 9.320 1.00 0.00 H new ATOM 0 HA GLU A 54 4.271 -3.719 9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.639 -4.149 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.322 -5.762 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.521 -6.646 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.252 -5.206 9.775 1.00 0.00 H new ATOM 849 N VAL A 55 4.026 -5.658 11.534 1.00 0.00 N ATOM 850 CA VAL A 55 4.042 -6.682 12.572 1.00 0.00 C ATOM 851 C VAL A 55 2.735 -7.466 12.590 1.00 0.00 C ATOM 852 O VAL A 55 1.704 -6.962 13.037 1.00 0.00 O ATOM 853 CB VAL A 55 4.279 -6.067 13.964 1.00 0.00 C ATOM 854 CG1 VAL A 55 3.332 -4.902 14.201 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.120 -7.124 15.046 1.00 0.00 C ATOM 0 H VAL A 55 3.349 -4.911 11.689 1.00 0.00 H new ATOM 0 HA VAL A 55 4.864 -7.358 12.337 1.00 0.00 H new ATOM 0 HB VAL A 55 5.300 -5.687 14.006 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.514 -4.480 15.189 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.500 -4.137 13.443 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.302 -5.253 14.140 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.291 -6.673 16.023 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.111 -7.535 15.007 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.844 -7.923 14.884 1.00 0.00 H new ATOM 865 N ILE A 56 2.785 -8.701 12.103 1.00 0.00 N ATOM 866 CA ILE A 56 1.605 -9.556 12.066 1.00 0.00 C ATOM 867 C ILE A 56 0.914 -9.598 13.425 1.00 0.00 C ATOM 868 O ILE A 56 1.549 -9.748 14.468 1.00 0.00 O ATOM 869 CB ILE A 56 1.963 -10.992 11.640 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.677 -10.983 10.287 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.711 -11.854 11.580 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.896 -10.283 9.197 1.00 0.00 C ATOM 0 H ILE A 56 3.630 -9.132 11.728 1.00 0.00 H new ATOM 0 HA ILE A 56 0.927 -9.126 11.329 1.00 0.00 H new ATOM 0 HB ILE A 56 2.638 -11.418 12.382 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.645 -10.495 10.399 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.871 -12.011 9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.980 -12.866 11.278 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.241 -11.882 12.563 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.013 -11.432 10.856 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.462 -10.315 8.266 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.938 -10.784 9.057 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.724 -9.245 9.482 1.00 0.00 H new ATOM 884 N PRO A 57 -0.421 -9.464 13.414 1.00 0.00 N ATOM 885 CA PRO A 57 -1.229 -9.486 14.637 1.00 0.00 C ATOM 886 C PRO A 57 -1.275 -10.869 15.276 1.00 0.00 C ATOM 887 O PRO A 57 -0.940 -11.869 14.641 1.00 0.00 O ATOM 888 CB PRO A 57 -2.621 -9.075 14.150 1.00 0.00 C ATOM 889 CG PRO A 57 -2.649 -9.462 12.712 1.00 0.00 C ATOM 890 CD PRO A 57 -1.244 -9.281 12.206 1.00 0.00 C ATOM 0 HA PRO A 57 -0.821 -8.831 15.407 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.403 -9.584 14.712 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.784 -8.005 14.275 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.977 -10.495 12.592 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.348 -8.839 12.154 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.997 -10.012 11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.099 -8.294 11.766 1.00 0.00 H new ATOM 898 N ASP A 58 -1.693 -10.919 16.536 1.00 0.00 N ATOM 899 CA ASP A 58 -1.785 -12.181 17.261 1.00 0.00 C ATOM 900 C ASP A 58 -0.406 -12.811 17.433 1.00 0.00 C ATOM 901 O ASP A 58 -0.276 -14.032 17.525 1.00 0.00 O ATOM 902 CB ASP A 58 -2.713 -13.150 16.527 1.00 0.00 C ATOM 903 CG ASP A 58 -3.316 -14.188 17.453 1.00 0.00 C ATOM 904 OD1 ASP A 58 -4.197 -13.823 18.259 1.00 0.00 O ATOM 905 OD2 ASP A 58 -2.907 -15.365 17.371 1.00 0.00 O ATOM 0 H ASP A 58 -1.973 -10.101 17.076 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.197 -11.974 18.249 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.513 -12.588 16.046 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.156 -13.653 15.736 1.00 0.00 H new ATOM 910 N THR A 59 0.622 -11.969 17.475 1.00 0.00 N ATOM 911 CA THR A 59 1.992 -12.443 17.633 1.00 0.00 C ATOM 912 C THR A 59 2.617 -11.898 18.912 1.00 0.00 C ATOM 913 O THR A 59 2.205 -10.867 19.443 1.00 0.00 O ATOM 914 CB THR A 59 2.868 -12.038 16.433 1.00 0.00 C ATOM 915 OG1 THR A 59 2.999 -10.613 16.380 1.00 0.00 O ATOM 916 CG2 THR A 59 2.270 -12.546 15.130 1.00 0.00 C ATOM 0 H THR A 59 0.532 -10.956 17.402 1.00 0.00 H new ATOM 0 HA THR A 59 1.947 -13.531 17.689 1.00 0.00 H new ATOM 0 HB THR A 59 3.852 -12.488 16.562 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.728 -10.292 15.494 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.906 -12.248 14.297 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.200 -13.633 15.161 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.275 -12.122 14.997 1.00 0.00 H new ATOM 924 N PRO A 60 3.638 -12.605 19.420 1.00 0.00 N ATOM 925 CA PRO A 60 4.343 -12.210 20.643 1.00 0.00 C ATOM 926 C PRO A 60 5.184 -10.952 20.446 1.00 0.00 C ATOM 927 O PRO A 60 5.736 -10.408 21.402 1.00 0.00 O ATOM 928 CB PRO A 60 5.242 -13.413 20.938 1.00 0.00 C ATOM 929 CG PRO A 60 5.452 -14.063 19.614 1.00 0.00 C ATOM 930 CD PRO A 60 4.182 -13.844 18.840 1.00 0.00 C ATOM 0 HA PRO A 60 3.653 -11.968 21.451 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.188 -13.101 21.380 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.770 -14.096 21.644 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.305 -13.626 19.096 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.660 -15.127 19.730 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.375 -13.737 17.773 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.491 -14.679 18.957 1.00 0.00 H new ATOM 938 N ALA A 61 5.276 -10.496 19.202 1.00 0.00 N ATOM 939 CA ALA A 61 6.047 -9.301 18.881 1.00 0.00 C ATOM 940 C ALA A 61 5.157 -8.062 18.864 1.00 0.00 C ATOM 941 O ALA A 61 5.573 -6.984 19.284 1.00 0.00 O ATOM 942 CB ALA A 61 6.747 -9.469 17.541 1.00 0.00 C ATOM 0 H ALA A 61 4.826 -10.936 18.399 1.00 0.00 H new ATOM 0 HA ALA A 61 6.800 -9.165 19.657 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.319 -8.569 17.314 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.420 -10.325 17.587 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.004 -9.633 16.760 1.00 0.00 H new ATOM 948 N GLU A 62 3.932 -8.226 18.374 1.00 0.00 N ATOM 949 CA GLU A 62 2.986 -7.119 18.301 1.00 0.00 C ATOM 950 C GLU A 62 2.658 -6.590 19.695 1.00 0.00 C ATOM 951 O GLU A 62 2.654 -5.382 19.926 1.00 0.00 O ATOM 952 CB GLU A 62 1.702 -7.562 17.597 1.00 0.00 C ATOM 953 CG GLU A 62 0.446 -6.914 18.156 1.00 0.00 C ATOM 954 CD GLU A 62 -0.733 -7.014 17.208 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.702 -6.353 16.149 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.688 -7.754 17.526 1.00 0.00 O ATOM 0 H GLU A 62 3.572 -9.113 18.022 1.00 0.00 H new ATOM 0 HA GLU A 62 3.449 -6.317 17.726 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.780 -7.327 16.536 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.609 -8.645 17.678 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.187 -7.388 19.103 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.648 -5.864 18.370 1.00 0.00 H new ATOM 963 N ALA A 63 2.384 -7.505 20.619 1.00 0.00 N ATOM 964 CA ALA A 63 2.057 -7.133 21.989 1.00 0.00 C ATOM 965 C ALA A 63 3.299 -6.670 22.744 1.00 0.00 C ATOM 966 O ALA A 63 3.233 -5.760 23.569 1.00 0.00 O ATOM 967 CB ALA A 63 1.403 -8.301 22.712 1.00 0.00 C ATOM 0 H ALA A 63 2.382 -8.510 20.443 1.00 0.00 H new ATOM 0 HA ALA A 63 1.353 -6.301 21.955 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.164 -8.008 23.734 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.488 -8.584 22.192 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.088 -9.149 22.728 1.00 0.00 H new ATOM 973 N GLY A 64 4.431 -7.304 22.456 1.00 0.00 N ATOM 974 CA GLY A 64 5.672 -6.944 23.116 1.00 0.00 C ATOM 975 C GLY A 64 5.987 -5.466 22.993 1.00 0.00 C ATOM 976 O GLY A 64 6.564 -4.869 23.900 1.00 0.00 O ATOM 0 H GLY A 64 4.511 -8.061 21.777 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.610 -7.213 24.171 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.489 -7.523 22.687 1.00 0.00 H new ATOM 980 N GLY A 65 5.608 -4.874 21.864 1.00 0.00 N ATOM 981 CA GLY A 65 5.864 -3.463 21.644 1.00 0.00 C ATOM 982 C GLY A 65 6.354 -3.174 20.239 1.00 0.00 C ATOM 983 O GLY A 65 6.280 -2.038 19.769 1.00 0.00 O ATOM 0 H GLY A 65 5.128 -5.347 21.098 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.951 -2.898 21.830 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.606 -3.115 22.363 1.00 0.00 H new ATOM 987 N LEU A 66 6.856 -4.203 19.566 1.00 0.00 N ATOM 988 CA LEU A 66 7.361 -4.055 18.205 1.00 0.00 C ATOM 989 C LEU A 66 6.265 -3.558 17.269 1.00 0.00 C ATOM 990 O LEU A 66 5.360 -4.307 16.901 1.00 0.00 O ATOM 991 CB LEU A 66 7.916 -5.387 17.698 1.00 0.00 C ATOM 992 CG LEU A 66 9.205 -5.873 18.361 1.00 0.00 C ATOM 993 CD1 LEU A 66 9.670 -7.177 17.732 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.291 -4.812 18.258 1.00 0.00 C ATOM 0 H LEU A 66 6.924 -5.149 19.940 1.00 0.00 H new ATOM 0 HA LEU A 66 8.163 -3.317 18.220 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.151 -6.152 17.833 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.093 -5.299 16.626 1.00 0.00 H new ATOM 0 HG LEU A 66 9.002 -6.055 19.416 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.589 -7.507 18.217 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.899 -7.937 17.859 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.856 -7.022 16.669 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.201 -5.175 18.735 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.492 -4.598 17.208 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.959 -3.901 18.757 1.00 0.00 H new ATOM 1006 N LYS A 67 6.353 -2.289 16.884 1.00 0.00 N ATOM 1007 CA LYS A 67 5.371 -1.691 15.987 1.00 0.00 C ATOM 1008 C LYS A 67 5.974 -1.443 14.608 1.00 0.00 C ATOM 1009 O LYS A 67 7.146 -1.737 14.372 1.00 0.00 O ATOM 1010 CB LYS A 67 4.850 -0.376 16.571 1.00 0.00 C ATOM 1011 CG LYS A 67 3.695 -0.556 17.541 1.00 0.00 C ATOM 1012 CD LYS A 67 2.362 -0.234 16.887 1.00 0.00 C ATOM 1013 CE LYS A 67 1.747 1.029 17.469 1.00 0.00 C ATOM 1014 NZ LYS A 67 0.930 1.763 16.463 1.00 0.00 N ATOM 0 H LYS A 67 7.095 -1.655 17.180 1.00 0.00 H new ATOM 0 HA LYS A 67 4.540 -2.389 15.881 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.667 0.133 17.082 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.531 0.273 15.755 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.683 -1.583 17.907 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.842 0.090 18.407 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.503 -0.110 15.813 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.677 -1.070 17.024 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.123 0.768 18.323 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.538 1.681 17.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.528 2.618 16.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.531 2.034 15.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.159 1.150 16.128 1.00 0.00 H new ATOM 1028 N GLU A 68 5.166 -0.901 13.702 1.00 0.00 N ATOM 1029 CA GLU A 68 5.622 -0.613 12.347 1.00 0.00 C ATOM 1030 C GLU A 68 6.494 0.639 12.320 1.00 0.00 C ATOM 1031 O GLU A 68 6.394 1.496 13.196 1.00 0.00 O ATOM 1032 CB GLU A 68 4.426 -0.435 11.410 1.00 0.00 C ATOM 1033 CG GLU A 68 4.773 -0.610 9.941 1.00 0.00 C ATOM 1034 CD GLU A 68 3.548 -0.602 9.047 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.776 -1.583 9.088 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.361 0.387 8.307 1.00 0.00 O ATOM 0 H GLU A 68 4.193 -0.653 13.882 1.00 0.00 H new ATOM 0 HA GLU A 68 6.220 -1.458 12.005 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.653 -1.154 11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.003 0.558 11.559 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.448 0.189 9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.309 -1.550 9.808 1.00 0.00 H new ATOM 1043 N ASN A 69 7.350 0.735 11.308 1.00 0.00 N ATOM 1044 CA ASN A 69 8.241 1.881 11.167 1.00 0.00 C ATOM 1045 C ASN A 69 9.212 1.964 12.341 1.00 0.00 C ATOM 1046 O ASN A 69 9.699 3.041 12.682 1.00 0.00 O ATOM 1047 CB ASN A 69 7.430 3.175 11.069 1.00 0.00 C ATOM 1048 CG ASN A 69 6.247 3.046 10.129 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.408 3.041 8.908 1.00 0.00 O ATOM 1050 ND2 ASN A 69 5.051 2.941 10.695 1.00 0.00 N ATOM 0 H ASN A 69 7.446 0.033 10.574 1.00 0.00 H new ATOM 0 HA ASN A 69 8.817 1.751 10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.074 3.453 12.061 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.078 3.981 10.725 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.218 2.852 10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.965 2.950 11.711 1.00 0.00 H new ATOM 1057 N ASP A 70 9.487 0.818 12.955 1.00 0.00 N ATOM 1058 CA ASP A 70 10.401 0.760 14.091 1.00 0.00 C ATOM 1059 C ASP A 70 11.819 0.434 13.631 1.00 0.00 C ATOM 1060 O ASP A 70 12.024 -0.072 12.528 1.00 0.00 O ATOM 1061 CB ASP A 70 9.926 -0.285 15.102 1.00 0.00 C ATOM 1062 CG ASP A 70 9.095 0.323 16.215 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.612 1.213 16.922 1.00 0.00 O ATOM 1064 OD2 ASP A 70 7.929 -0.093 16.380 1.00 0.00 O ATOM 0 H ASP A 70 9.091 -0.082 12.686 1.00 0.00 H new ATOM 0 HA ASP A 70 10.410 1.739 14.570 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.338 -1.044 14.586 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.791 -0.790 15.532 1.00 0.00 H new ATOM 1069 N VAL A 71 12.794 0.728 14.485 1.00 0.00 N ATOM 1070 CA VAL A 71 14.193 0.466 14.167 1.00 0.00 C ATOM 1071 C VAL A 71 14.950 -0.038 15.390 1.00 0.00 C ATOM 1072 O VAL A 71 15.167 0.706 16.347 1.00 0.00 O ATOM 1073 CB VAL A 71 14.892 1.728 13.628 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.285 1.391 13.119 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.057 2.373 12.532 1.00 0.00 C ATOM 0 H VAL A 71 12.641 1.148 15.402 1.00 0.00 H new ATOM 0 HA VAL A 71 14.203 -0.304 13.395 1.00 0.00 H new ATOM 0 HB VAL A 71 14.993 2.443 14.445 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.763 2.295 12.742 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.880 0.978 13.934 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.211 0.658 12.316 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.566 3.263 12.163 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.923 1.666 11.713 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.083 2.652 12.934 1.00 0.00 H new ATOM 1085 N ILE A 72 15.349 -1.305 15.352 1.00 0.00 N ATOM 1086 CA ILE A 72 16.083 -1.907 16.458 1.00 0.00 C ATOM 1087 C ILE A 72 17.563 -1.544 16.398 1.00 0.00 C ATOM 1088 O ILE A 72 18.201 -1.671 15.353 1.00 0.00 O ATOM 1089 CB ILE A 72 15.942 -3.441 16.458 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.466 -3.839 16.522 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.709 -4.043 17.626 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.056 -4.814 15.440 1.00 0.00 C ATOM 0 H ILE A 72 15.176 -1.934 14.568 1.00 0.00 H new ATOM 0 HA ILE A 72 15.651 -1.510 17.377 1.00 0.00 H new ATOM 0 HB ILE A 72 16.364 -3.830 15.532 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.259 -4.282 17.496 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.852 -2.942 16.443 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.600 -5.127 17.613 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.764 -3.783 17.541 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.313 -3.650 18.562 1.00 0.00 H new ATOM 0 HD11 ILE A 72 12.998 -5.052 15.547 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.231 -4.366 14.462 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.644 -5.727 15.531 1.00 0.00 H new ATOM 1104 N ILE A 73 18.102 -1.095 17.526 1.00 0.00 N ATOM 1105 CA ILE A 73 19.508 -0.716 17.602 1.00 0.00 C ATOM 1106 C ILE A 73 20.317 -1.759 18.366 1.00 0.00 C ATOM 1107 O ILE A 73 21.524 -1.891 18.166 1.00 0.00 O ATOM 1108 CB ILE A 73 19.686 0.654 18.282 1.00 0.00 C ATOM 1109 CG1 ILE A 73 18.936 0.688 19.615 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.199 1.767 17.366 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.781 1.176 20.771 1.00 0.00 C ATOM 0 H ILE A 73 17.587 -0.985 18.400 1.00 0.00 H new ATOM 0 HA ILE A 73 19.874 -0.654 16.577 1.00 0.00 H new ATOM 0 HB ILE A 73 20.747 0.810 18.479 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.063 1.333 19.515 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.568 -0.313 19.841 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.331 2.729 17.861 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.773 1.753 16.440 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.143 1.617 17.141 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.185 1.174 21.684 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.640 0.517 20.897 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.128 2.189 20.566 1.00 0.00 H new ATOM 1123 N SER A 74 19.643 -2.499 19.241 1.00 0.00 N ATOM 1124 CA SER A 74 20.300 -3.529 20.037 1.00 0.00 C ATOM 1125 C SER A 74 19.287 -4.552 20.544 1.00 0.00 C ATOM 1126 O SER A 74 18.094 -4.263 20.643 1.00 0.00 O ATOM 1127 CB SER A 74 21.039 -2.898 21.218 1.00 0.00 C ATOM 1128 OG SER A 74 21.513 -3.889 22.112 1.00 0.00 O ATOM 0 H SER A 74 18.643 -2.404 19.416 1.00 0.00 H new ATOM 0 HA SER A 74 21.020 -4.041 19.399 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.876 -2.304 20.852 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.372 -2.217 21.746 1.00 0.00 H new ATOM 0 HG SER A 74 21.983 -3.460 22.857 1.00 0.00 H new ATOM 1134 N ILE A 75 19.772 -5.747 20.863 1.00 0.00 N ATOM 1135 CA ILE A 75 18.910 -6.812 21.361 1.00 0.00 C ATOM 1136 C ILE A 75 19.657 -7.711 22.340 1.00 0.00 C ATOM 1137 O ILE A 75 20.723 -8.239 22.025 1.00 0.00 O ATOM 1138 CB ILE A 75 18.358 -7.673 20.210 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.566 -6.806 19.229 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.486 -8.794 20.757 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.000 -7.580 18.059 1.00 0.00 C ATOM 0 H ILE A 75 20.757 -6.002 20.786 1.00 0.00 H new ATOM 0 HA ILE A 75 18.078 -6.331 21.875 1.00 0.00 H new ATOM 0 HB ILE A 75 19.197 -8.119 19.676 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.749 -6.321 19.763 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.214 -6.015 18.852 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.103 -9.393 19.931 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.078 -9.425 21.420 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.651 -8.367 21.313 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.451 -6.902 17.405 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.814 -8.043 17.501 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.326 -8.354 18.427 1.00 0.00 H new ATOM 1153 N ASN A 76 19.089 -7.882 23.530 1.00 0.00 N ATOM 1154 CA ASN A 76 19.701 -8.718 24.556 1.00 0.00 C ATOM 1155 C ASN A 76 21.052 -8.154 24.984 1.00 0.00 C ATOM 1156 O ASN A 76 21.924 -8.887 25.447 1.00 0.00 O ATOM 1157 CB ASN A 76 19.873 -10.149 24.041 1.00 0.00 C ATOM 1158 CG ASN A 76 19.171 -11.168 24.917 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.482 -11.304 26.101 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.218 -11.889 24.338 1.00 0.00 N ATOM 0 H ASN A 76 18.206 -7.453 23.807 1.00 0.00 H new ATOM 0 HA ASN A 76 19.041 -8.727 25.423 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.482 -10.216 23.026 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.935 -10.388 23.990 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.710 -12.590 24.877 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.994 -11.742 23.354 1.00 0.00 H new ATOM 1167 N GLY A 77 21.216 -6.844 24.826 1.00 0.00 N ATOM 1168 CA GLY A 77 22.463 -6.203 25.202 1.00 0.00 C ATOM 1169 C GLY A 77 23.510 -6.285 24.109 1.00 0.00 C ATOM 1170 O GLY A 77 24.705 -6.162 24.375 1.00 0.00 O ATOM 0 H GLY A 77 20.509 -6.216 24.445 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.272 -5.157 25.440 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.850 -6.671 26.107 1.00 0.00 H new ATOM 1174 N GLN A 78 23.060 -6.496 22.876 1.00 0.00 N ATOM 1175 CA GLN A 78 23.968 -6.598 21.739 1.00 0.00 C ATOM 1176 C GLN A 78 23.485 -5.735 20.578 1.00 0.00 C ATOM 1177 O GLN A 78 22.394 -5.944 20.049 1.00 0.00 O ATOM 1178 CB GLN A 78 24.095 -8.055 21.290 1.00 0.00 C ATOM 1179 CG GLN A 78 25.479 -8.643 21.515 1.00 0.00 C ATOM 1180 CD GLN A 78 25.450 -9.886 22.382 1.00 0.00 C ATOM 1181 OE1 GLN A 78 24.483 -10.648 22.364 1.00 0.00 O ATOM 1182 NE2 GLN A 78 26.514 -10.098 23.148 1.00 0.00 N ATOM 0 H GLN A 78 22.073 -6.600 22.639 1.00 0.00 H new ATOM 0 HA GLN A 78 24.947 -6.236 22.054 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.362 -8.657 21.827 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.849 -8.123 20.230 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.927 -8.887 20.552 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.117 -7.893 21.983 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.293 -9.440 23.132 1.00 0.00 H new ATOM 0 HE22 GLN A 78 26.552 -10.919 23.753 1.00 0.00 H new ATOM 1191 N SER A 79 24.306 -4.766 20.187 1.00 0.00 N ATOM 1192 CA SER A 79 23.960 -3.868 19.091 1.00 0.00 C ATOM 1193 C SER A 79 23.931 -4.619 17.763 1.00 0.00 C ATOM 1194 O SER A 79 24.862 -5.352 17.430 1.00 0.00 O ATOM 1195 CB SER A 79 24.961 -2.713 19.015 1.00 0.00 C ATOM 1196 OG SER A 79 24.431 -1.540 19.606 1.00 0.00 O ATOM 0 H SER A 79 25.215 -4.582 20.612 1.00 0.00 H new ATOM 0 HA SER A 79 22.965 -3.465 19.283 1.00 0.00 H new ATOM 0 HB2 SER A 79 25.884 -2.994 19.521 1.00 0.00 H new ATOM 0 HB3 SER A 79 25.216 -2.516 17.974 1.00 0.00 H new ATOM 0 HG SER A 79 23.516 -1.396 19.285 1.00 0.00 H new ATOM 1202 N VAL A 80 22.854 -4.429 17.007 1.00 0.00 N ATOM 1203 CA VAL A 80 22.703 -5.087 15.714 1.00 0.00 C ATOM 1204 C VAL A 80 22.777 -4.079 14.573 1.00 0.00 C ATOM 1205 O VAL A 80 22.549 -2.885 14.768 1.00 0.00 O ATOM 1206 CB VAL A 80 21.367 -5.848 15.625 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.242 -6.844 16.768 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.198 -4.875 15.626 1.00 0.00 C ATOM 0 H VAL A 80 22.074 -3.825 17.267 1.00 0.00 H new ATOM 0 HA VAL A 80 23.525 -5.797 15.622 1.00 0.00 H new ATOM 0 HB VAL A 80 21.348 -6.403 14.687 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.292 -7.372 16.688 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.061 -7.561 16.717 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.283 -6.313 17.719 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.262 -5.430 15.563 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.212 -4.291 16.546 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.281 -4.205 14.770 1.00 0.00 H new ATOM 1218 N VAL A 81 23.098 -4.568 13.379 1.00 0.00 N ATOM 1219 CA VAL A 81 23.202 -3.710 12.204 1.00 0.00 C ATOM 1220 C VAL A 81 22.616 -4.392 10.973 1.00 0.00 C ATOM 1221 O VAL A 81 22.981 -4.073 9.842 1.00 0.00 O ATOM 1222 CB VAL A 81 24.666 -3.326 11.917 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.154 -2.295 12.923 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.553 -4.561 11.933 1.00 0.00 C ATOM 0 H VAL A 81 23.290 -5.554 13.200 1.00 0.00 H new ATOM 0 HA VAL A 81 22.633 -2.806 12.421 1.00 0.00 H new ATOM 0 HB VAL A 81 24.719 -2.882 10.923 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.190 -2.036 12.705 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.534 -1.401 12.857 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.088 -2.709 13.929 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.584 -4.271 11.728 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.497 -5.036 12.912 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.215 -5.262 11.170 1.00 0.00 H new ATOM 1234 N SER A 82 21.704 -5.332 11.201 1.00 0.00 N ATOM 1235 CA SER A 82 21.069 -6.061 10.110 1.00 0.00 C ATOM 1236 C SER A 82 19.837 -6.813 10.604 1.00 0.00 C ATOM 1237 O SER A 82 19.831 -7.359 11.707 1.00 0.00 O ATOM 1238 CB SER A 82 22.060 -7.041 9.479 1.00 0.00 C ATOM 1239 OG SER A 82 22.329 -6.697 8.131 1.00 0.00 O ATOM 0 H SER A 82 21.389 -5.606 12.131 1.00 0.00 H new ATOM 0 HA SER A 82 20.754 -5.338 9.357 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.989 -7.042 10.050 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.656 -8.052 9.526 1.00 0.00 H new ATOM 0 HG SER A 82 22.966 -7.337 7.751 1.00 0.00 H new ATOM 1245 N ALA A 83 18.795 -6.837 9.779 1.00 0.00 N ATOM 1246 CA ALA A 83 17.558 -7.523 10.130 1.00 0.00 C ATOM 1247 C ALA A 83 17.797 -9.016 10.333 1.00 0.00 C ATOM 1248 O ALA A 83 17.039 -9.685 11.033 1.00 0.00 O ATOM 1249 CB ALA A 83 16.506 -7.297 9.055 1.00 0.00 C ATOM 0 H ALA A 83 18.783 -6.389 8.863 1.00 0.00 H new ATOM 0 HA ALA A 83 17.196 -7.108 11.071 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.587 -7.815 9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.306 -6.230 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.870 -7.684 8.103 1.00 0.00 H new ATOM 1255 N ASN A 84 18.855 -9.530 9.715 1.00 0.00 N ATOM 1256 CA ASN A 84 19.193 -10.945 9.828 1.00 0.00 C ATOM 1257 C ASN A 84 19.799 -11.252 11.194 1.00 0.00 C ATOM 1258 O ASN A 84 19.721 -12.381 11.679 1.00 0.00 O ATOM 1259 CB ASN A 84 20.170 -11.347 8.721 1.00 0.00 C ATOM 1260 CG ASN A 84 19.848 -12.707 8.132 1.00 0.00 C ATOM 1261 OD1 ASN A 84 20.513 -13.699 8.433 1.00 0.00 O ATOM 1262 ND2 ASN A 84 18.825 -12.759 7.288 1.00 0.00 N ATOM 0 H ASN A 84 19.493 -8.989 9.131 1.00 0.00 H new ATOM 0 HA ASN A 84 18.275 -11.523 9.720 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.148 -10.597 7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 84 21.184 -11.358 9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.562 -13.647 6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 84 18.302 -11.911 7.068 1.00 0.00 H new ATOM 1269 N ASP A 85 20.403 -10.241 11.808 1.00 0.00 N ATOM 1270 CA ASP A 85 21.022 -10.402 13.118 1.00 0.00 C ATOM 1271 C ASP A 85 19.965 -10.445 14.217 1.00 0.00 C ATOM 1272 O ASP A 85 20.016 -11.290 15.111 1.00 0.00 O ATOM 1273 CB ASP A 85 22.007 -9.263 13.385 1.00 0.00 C ATOM 1274 CG ASP A 85 23.448 -9.683 13.178 1.00 0.00 C ATOM 1275 OD1 ASP A 85 23.766 -10.191 12.083 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.259 -9.504 14.112 1.00 0.00 O ATOM 0 H ASP A 85 20.477 -9.301 11.419 1.00 0.00 H new ATOM 0 HA ASP A 85 21.564 -11.348 13.122 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.777 -8.426 12.726 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.879 -8.908 14.407 1.00 0.00 H new ATOM 1281 N VAL A 86 19.006 -9.527 14.145 1.00 0.00 N ATOM 1282 CA VAL A 86 17.936 -9.459 15.133 1.00 0.00 C ATOM 1283 C VAL A 86 17.080 -10.721 15.103 1.00 0.00 C ATOM 1284 O VAL A 86 16.460 -11.086 16.102 1.00 0.00 O ATOM 1285 CB VAL A 86 17.033 -8.234 14.900 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.833 -6.947 15.036 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.368 -8.315 13.534 1.00 0.00 C ATOM 0 H VAL A 86 18.948 -8.820 13.412 1.00 0.00 H new ATOM 0 HA VAL A 86 18.412 -9.369 16.109 1.00 0.00 H new ATOM 0 HB VAL A 86 16.252 -8.231 15.660 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.178 -6.092 14.868 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.258 -6.887 16.038 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.637 -6.939 14.300 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.733 -7.441 13.386 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.133 -8.344 12.758 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.761 -9.218 13.478 1.00 0.00 H new ATOM 1297 N SER A 87 17.051 -11.382 13.951 1.00 0.00 N ATOM 1298 CA SER A 87 16.268 -12.602 13.789 1.00 0.00 C ATOM 1299 C SER A 87 16.981 -13.793 14.423 1.00 0.00 C ATOM 1300 O SER A 87 16.350 -14.784 14.790 1.00 0.00 O ATOM 1301 CB SER A 87 16.013 -12.876 12.306 1.00 0.00 C ATOM 1302 OG SER A 87 17.209 -13.247 11.642 1.00 0.00 O ATOM 0 H SER A 87 17.560 -11.094 13.116 1.00 0.00 H new ATOM 0 HA SER A 87 15.313 -12.461 14.295 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.274 -13.671 12.202 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.593 -11.987 11.836 1.00 0.00 H new ATOM 0 HG SER A 87 17.966 -12.767 12.038 1.00 0.00 H new ATOM 1308 N ASP A 88 18.299 -13.687 14.548 1.00 0.00 N ATOM 1309 CA ASP A 88 19.099 -14.754 15.138 1.00 0.00 C ATOM 1310 C ASP A 88 18.826 -14.874 16.634 1.00 0.00 C ATOM 1311 O ASP A 88 18.624 -15.973 17.152 1.00 0.00 O ATOM 1312 CB ASP A 88 20.588 -14.497 14.897 1.00 0.00 C ATOM 1313 CG ASP A 88 21.173 -15.421 13.848 1.00 0.00 C ATOM 1314 OD1 ASP A 88 20.946 -16.646 13.943 1.00 0.00 O ATOM 1315 OD2 ASP A 88 21.858 -14.920 12.932 1.00 0.00 O ATOM 0 H ASP A 88 18.836 -12.873 14.249 1.00 0.00 H new ATOM 0 HA ASP A 88 18.818 -15.692 14.660 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.729 -13.462 14.585 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.132 -14.624 15.833 1.00 0.00 H new ATOM 1320 N VAL A 89 18.823 -13.738 17.323 1.00 0.00 N ATOM 1321 CA VAL A 89 18.575 -13.716 18.759 1.00 0.00 C ATOM 1322 C VAL A 89 17.251 -14.391 19.099 1.00 0.00 C ATOM 1323 O VAL A 89 17.064 -14.891 20.208 1.00 0.00 O ATOM 1324 CB VAL A 89 18.558 -12.275 19.304 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.317 -12.274 20.806 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.859 -11.562 18.964 1.00 0.00 C ATOM 0 H VAL A 89 18.990 -12.820 16.910 1.00 0.00 H new ATOM 0 HA VAL A 89 19.391 -14.265 19.229 1.00 0.00 H new ATOM 0 HB VAL A 89 17.739 -11.735 18.829 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.308 -11.247 21.172 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.357 -12.744 21.021 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.112 -12.830 21.302 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.830 -10.545 19.356 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.696 -12.099 19.410 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.984 -11.530 17.882 1.00 0.00 H new ATOM 1336 N ILE A 90 16.334 -14.401 18.137 1.00 0.00 N ATOM 1337 CA ILE A 90 15.028 -15.017 18.333 1.00 0.00 C ATOM 1338 C ILE A 90 15.157 -16.517 18.574 1.00 0.00 C ATOM 1339 O ILE A 90 14.508 -17.074 19.459 1.00 0.00 O ATOM 1340 CB ILE A 90 14.106 -14.780 17.123 1.00 0.00 C ATOM 1341 CG1 ILE A 90 14.031 -13.287 16.795 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.717 -15.338 17.397 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.146 -12.972 15.610 1.00 0.00 C ATOM 0 H ILE A 90 16.472 -13.989 17.214 1.00 0.00 H new ATOM 0 HA ILE A 90 14.587 -14.547 19.212 1.00 0.00 H new ATOM 0 HB ILE A 90 14.522 -15.302 16.261 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.660 -12.750 17.668 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.036 -12.916 16.596 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.077 -15.162 16.532 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.786 -16.409 17.586 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.291 -14.842 18.270 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.140 -11.896 15.436 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.528 -13.481 14.725 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.131 -13.312 15.814 1.00 0.00 H new ATOM 1355 N LYS A 91 16.002 -17.167 17.780 1.00 0.00 N ATOM 1356 CA LYS A 91 16.221 -18.603 17.907 1.00 0.00 C ATOM 1357 C LYS A 91 17.381 -18.895 18.853 1.00 0.00 C ATOM 1358 O LYS A 91 17.510 -20.006 19.367 1.00 0.00 O ATOM 1359 CB LYS A 91 16.500 -19.220 16.535 1.00 0.00 C ATOM 1360 CG LYS A 91 17.889 -18.914 16.001 1.00 0.00 C ATOM 1361 CD LYS A 91 17.831 -18.330 14.599 1.00 0.00 C ATOM 1362 CE LYS A 91 17.882 -19.420 13.540 1.00 0.00 C ATOM 1363 NZ LYS A 91 17.668 -18.873 12.171 1.00 0.00 N ATOM 0 H LYS A 91 16.546 -16.721 17.041 1.00 0.00 H new ATOM 0 HA LYS A 91 15.317 -19.048 18.322 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.375 -20.301 16.600 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.758 -18.855 15.824 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.390 -18.212 16.668 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.485 -19.826 15.992 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.915 -17.750 14.483 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.664 -17.642 14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.848 -19.924 13.583 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.121 -20.171 13.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.710 -19.647 11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.736 -18.415 12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.409 -18.175 11.956 1.00 0.00 H new ATOM 1377 N ARG A 92 18.221 -17.890 19.080 1.00 0.00 N ATOM 1378 CA ARG A 92 19.369 -18.040 19.965 1.00 0.00 C ATOM 1379 C ARG A 92 18.937 -18.001 21.428 1.00 0.00 C ATOM 1380 O ARG A 92 19.172 -18.946 22.180 1.00 0.00 O ATOM 1381 CB ARG A 92 20.395 -16.937 19.696 1.00 0.00 C ATOM 1382 CG ARG A 92 21.722 -17.153 20.406 1.00 0.00 C ATOM 1383 CD ARG A 92 22.832 -17.485 19.421 1.00 0.00 C ATOM 1384 NE ARG A 92 24.118 -17.669 20.089 1.00 0.00 N ATOM 1385 CZ ARG A 92 25.264 -17.842 19.440 1.00 0.00 C ATOM 1386 NH1 ARG A 92 25.285 -17.855 18.115 1.00 0.00 N ATOM 1387 NH2 ARG A 92 26.394 -18.003 20.118 1.00 0.00 N ATOM 0 H ARG A 92 18.128 -16.964 18.663 1.00 0.00 H new ATOM 0 HA ARG A 92 19.826 -19.009 19.765 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.573 -16.872 18.623 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.977 -15.980 20.008 1.00 0.00 H new ATOM 0 HG2 ARG A 92 21.987 -16.256 20.966 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.622 -17.962 21.129 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.573 -18.393 18.876 1.00 0.00 H new ATOM 0 HD3 ARG A 92 22.916 -16.684 18.686 1.00 0.00 H new ATOM 0 HE ARG A 92 24.137 -17.664 21.109 1.00 0.00 H new ATOM 0 HH11 ARG A 92 24.419 -17.732 17.590 1.00 0.00 H new ATOM 0 HH12 ARG A 92 26.167 -17.988 17.620 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.383 -17.994 21.138 1.00 0.00 H new ATOM 0 HH22 ARG A 92 27.274 -18.136 19.619 1.00 0.00 H new ATOM 1401 N GLU A 93 18.305 -16.900 21.824 1.00 0.00 N ATOM 1402 CA GLU A 93 17.842 -16.738 23.197 1.00 0.00 C ATOM 1403 C GLU A 93 16.332 -16.939 23.289 1.00 0.00 C ATOM 1404 O GLU A 93 15.598 -16.653 22.343 1.00 0.00 O ATOM 1405 CB GLU A 93 18.216 -15.352 23.725 1.00 0.00 C ATOM 1406 CG GLU A 93 19.644 -14.944 23.404 1.00 0.00 C ATOM 1407 CD GLU A 93 20.671 -15.804 24.115 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.674 -15.812 25.364 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.470 -16.469 23.424 1.00 0.00 O ATOM 0 H GLU A 93 18.102 -16.108 21.214 1.00 0.00 H new ATOM 0 HA GLU A 93 18.330 -17.496 23.810 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.533 -14.615 23.303 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.076 -15.334 24.806 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.803 -15.010 22.328 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.792 -13.901 23.685 1.00 0.00 H new ATOM 1416 N SER A 94 15.875 -17.433 24.436 1.00 0.00 N ATOM 1417 CA SER A 94 14.453 -17.676 24.651 1.00 0.00 C ATOM 1418 C SER A 94 13.677 -16.363 24.688 1.00 0.00 C ATOM 1419 O SER A 94 12.570 -16.267 24.157 1.00 0.00 O ATOM 1420 CB SER A 94 14.238 -18.447 25.955 1.00 0.00 C ATOM 1421 OG SER A 94 14.362 -19.843 25.748 1.00 0.00 O ATOM 0 H SER A 94 16.469 -17.673 25.230 1.00 0.00 H new ATOM 0 HA SER A 94 14.081 -18.273 23.819 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.965 -18.120 26.698 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.250 -18.222 26.356 1.00 0.00 H new ATOM 0 HG SER A 94 14.222 -20.313 26.596 1.00 0.00 H new ATOM 1427 N THR A 95 14.266 -15.353 25.321 1.00 0.00 N ATOM 1428 CA THR A 95 13.630 -14.046 25.431 1.00 0.00 C ATOM 1429 C THR A 95 14.156 -13.089 24.367 1.00 0.00 C ATOM 1430 O THR A 95 15.117 -13.396 23.661 1.00 0.00 O ATOM 1431 CB THR A 95 13.858 -13.425 26.822 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.097 -14.457 27.786 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.657 -12.594 27.247 1.00 0.00 C ATOM 0 H THR A 95 15.182 -15.415 25.765 1.00 0.00 H new ATOM 0 HA THR A 95 12.561 -14.200 25.282 1.00 0.00 H new ATOM 0 HB THR A 95 14.729 -12.772 26.766 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.243 -14.054 28.667 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.841 -12.166 28.232 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.496 -11.792 26.527 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.771 -13.228 27.287 1.00 0.00 H new ATOM 1441 N LEU A 96 13.521 -11.927 24.257 1.00 0.00 N ATOM 1442 CA LEU A 96 13.925 -10.923 23.279 1.00 0.00 C ATOM 1443 C LEU A 96 13.888 -9.525 23.887 1.00 0.00 C ATOM 1444 O LEU A 96 12.853 -8.860 23.875 1.00 0.00 O ATOM 1445 CB LEU A 96 13.015 -10.983 22.052 1.00 0.00 C ATOM 1446 CG LEU A 96 13.111 -12.252 21.205 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.183 -12.165 20.004 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.547 -12.487 20.757 1.00 0.00 C ATOM 0 H LEU A 96 12.724 -11.657 24.833 1.00 0.00 H new ATOM 0 HA LEU A 96 14.949 -11.139 22.974 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.983 -10.870 22.384 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.241 -10.128 21.415 1.00 0.00 H new ATOM 0 HG LEU A 96 12.799 -13.098 21.817 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.266 -13.077 19.414 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.155 -12.046 20.346 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.462 -11.309 19.390 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.597 -13.394 20.155 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.886 -11.639 20.163 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.188 -12.596 21.632 1.00 0.00 H new ATOM 1460 N ASN A 97 15.025 -9.084 24.416 1.00 0.00 N ATOM 1461 CA ASN A 97 15.122 -7.764 25.027 1.00 0.00 C ATOM 1462 C ASN A 97 15.604 -6.730 24.015 1.00 0.00 C ATOM 1463 O ASN A 97 16.747 -6.277 24.071 1.00 0.00 O ATOM 1464 CB ASN A 97 16.073 -7.802 26.226 1.00 0.00 C ATOM 1465 CG ASN A 97 15.486 -8.554 27.405 1.00 0.00 C ATOM 1466 OD1 ASN A 97 14.975 -7.949 28.348 1.00 0.00 O ATOM 1467 ND2 ASN A 97 15.558 -9.879 27.357 1.00 0.00 N ATOM 0 H ASN A 97 15.892 -9.622 24.434 1.00 0.00 H new ATOM 0 HA ASN A 97 14.128 -7.476 25.369 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.010 -8.273 25.928 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.311 -6.783 26.530 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.181 -10.438 28.122 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.991 -10.338 26.555 1.00 0.00 H new ATOM 1474 N MET A 98 14.724 -6.360 23.090 1.00 0.00 N ATOM 1475 CA MET A 98 15.060 -5.378 22.065 1.00 0.00 C ATOM 1476 C MET A 98 14.963 -3.960 22.619 1.00 0.00 C ATOM 1477 O MET A 98 14.301 -3.721 23.629 1.00 0.00 O ATOM 1478 CB MET A 98 14.132 -5.531 20.858 1.00 0.00 C ATOM 1479 CG MET A 98 13.895 -6.977 20.454 1.00 0.00 C ATOM 1480 SD MET A 98 13.462 -7.148 18.712 1.00 0.00 S ATOM 1481 CE MET A 98 12.693 -8.766 18.712 1.00 0.00 C ATOM 0 H MET A 98 13.774 -6.725 23.029 1.00 0.00 H new ATOM 0 HA MET A 98 16.088 -5.556 21.749 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.174 -5.064 21.085 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.557 -4.991 20.012 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.793 -7.560 20.660 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.096 -7.395 21.066 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.125 -8.899 17.791 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.463 -9.535 18.778 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.022 -8.850 19.567 1.00 0.00 H new ATOM 1491 N VAL A 99 15.629 -3.022 21.952 1.00 0.00 N ATOM 1492 CA VAL A 99 15.617 -1.628 22.378 1.00 0.00 C ATOM 1493 C VAL A 99 15.409 -0.693 21.191 1.00 0.00 C ATOM 1494 O VAL A 99 16.354 -0.356 20.479 1.00 0.00 O ATOM 1495 CB VAL A 99 16.928 -1.248 23.092 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.871 0.190 23.584 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.203 -2.203 24.243 1.00 0.00 C ATOM 0 H VAL A 99 16.183 -3.203 21.115 1.00 0.00 H new ATOM 0 HA VAL A 99 14.787 -1.517 23.075 1.00 0.00 H new ATOM 0 HB VAL A 99 17.747 -1.330 22.378 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.806 0.440 24.086 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.724 0.859 22.736 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.042 0.303 24.283 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.133 -1.920 24.736 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.383 -2.155 24.959 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.291 -3.219 23.859 1.00 0.00 H new ATOM 1507 N VAL A 100 14.163 -0.277 20.985 1.00 0.00 N ATOM 1508 CA VAL A 100 13.830 0.621 19.885 1.00 0.00 C ATOM 1509 C VAL A 100 13.676 2.056 20.375 1.00 0.00 C ATOM 1510 O VAL A 100 13.328 2.294 21.532 1.00 0.00 O ATOM 1511 CB VAL A 100 12.529 0.188 19.182 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.336 0.371 20.107 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.338 0.967 17.890 1.00 0.00 C ATOM 0 H VAL A 100 13.368 -0.547 21.565 1.00 0.00 H new ATOM 0 HA VAL A 100 14.654 0.570 19.173 1.00 0.00 H new ATOM 0 HB VAL A 100 12.605 -0.870 18.933 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.426 0.060 19.593 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.473 -0.236 21.002 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.252 1.420 20.390 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.414 0.649 17.406 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.283 2.033 18.112 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.180 0.779 17.224 1.00 0.00 H new ATOM 1523 N ARG A 101 13.937 3.010 19.487 1.00 0.00 N ATOM 1524 CA ARG A 101 13.829 4.423 19.829 1.00 0.00 C ATOM 1525 C ARG A 101 12.461 4.974 19.438 1.00 0.00 C ATOM 1526 O ARG A 101 12.106 5.001 18.259 1.00 0.00 O ATOM 1527 CB ARG A 101 14.931 5.224 19.133 1.00 0.00 C ATOM 1528 CG ARG A 101 16.308 5.025 19.746 1.00 0.00 C ATOM 1529 CD ARG A 101 16.463 5.816 21.036 1.00 0.00 C ATOM 1530 NE ARG A 101 17.864 6.077 21.352 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.260 6.962 22.261 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.364 7.665 22.940 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.554 7.143 22.493 1.00 0.00 N ATOM 0 H ARG A 101 14.225 2.830 18.525 1.00 0.00 H new ATOM 0 HA ARG A 101 13.946 4.519 20.908 1.00 0.00 H new ATOM 0 HB2 ARG A 101 14.966 4.940 18.081 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.676 6.283 19.169 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.469 3.966 19.946 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.073 5.335 19.034 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.929 6.762 20.948 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.003 5.265 21.856 1.00 0.00 H new ATOM 0 HE ARG A 101 18.578 5.551 20.848 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.369 7.527 22.765 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.670 8.344 23.637 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.246 6.603 21.973 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.857 7.822 23.191 1.00 0.00 H new ATOM 1547 N ARG A 102 11.697 5.410 20.434 1.00 0.00 N ATOM 1548 CA ARG A 102 10.368 5.958 20.194 1.00 0.00 C ATOM 1549 C ARG A 102 10.250 7.369 20.764 1.00 0.00 C ATOM 1550 O ARG A 102 10.496 7.594 21.948 1.00 0.00 O ATOM 1551 CB ARG A 102 9.301 5.055 20.816 1.00 0.00 C ATOM 1552 CG ARG A 102 8.354 4.441 19.798 1.00 0.00 C ATOM 1553 CD ARG A 102 7.729 3.157 20.322 1.00 0.00 C ATOM 1554 NE ARG A 102 8.293 1.972 19.682 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.852 0.739 19.901 1.00 0.00 C ATOM 1556 NH1 ARG A 102 6.846 0.530 20.739 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.416 -0.289 19.280 1.00 0.00 N ATOM 0 H ARG A 102 11.976 5.394 21.415 1.00 0.00 H new ATOM 0 HA ARG A 102 10.212 6.006 19.116 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.792 4.256 21.371 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.722 5.634 21.536 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.568 5.156 19.553 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.895 4.233 18.875 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.881 3.094 21.400 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.653 3.183 20.153 1.00 0.00 H new ATOM 0 HE ARG A 102 9.068 2.098 19.031 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.409 1.318 21.217 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.509 -0.418 20.905 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.189 -0.132 18.634 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.076 -1.236 19.449 1.00 0.00 H new ATOM 1571 N GLY A 103 9.873 8.317 19.911 1.00 0.00 N ATOM 1572 CA GLY A 103 9.731 9.693 20.348 1.00 0.00 C ATOM 1573 C GLY A 103 11.066 10.390 20.514 1.00 0.00 C ATOM 1574 O GLY A 103 11.530 11.082 19.609 1.00 0.00 O ATOM 0 H GLY A 103 9.664 8.156 18.926 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.127 10.240 19.624 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.192 9.716 21.295 1.00 0.00 H new ATOM 1578 N ASN A 104 11.686 10.209 21.676 1.00 0.00 N ATOM 1579 CA ASN A 104 12.975 10.828 21.960 1.00 0.00 C ATOM 1580 C ASN A 104 13.707 10.079 23.069 1.00 0.00 C ATOM 1581 O ASN A 104 14.406 10.682 23.882 1.00 0.00 O ATOM 1582 CB ASN A 104 12.785 12.293 22.358 1.00 0.00 C ATOM 1583 CG ASN A 104 12.596 13.199 21.157 1.00 0.00 C ATOM 1584 OD1 ASN A 104 13.556 13.547 20.470 1.00 0.00 O ATOM 1585 ND2 ASN A 104 11.352 13.587 20.899 1.00 0.00 N ATOM 0 H ASN A 104 11.316 9.638 22.436 1.00 0.00 H new ATOM 0 HA ASN A 104 13.579 10.780 21.054 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.919 12.379 23.014 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.652 12.627 22.929 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.163 14.198 20.104 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.586 13.274 21.495 1.00 0.00 H new ATOM 1592 N GLU A 105 13.540 8.760 23.094 1.00 0.00 N ATOM 1593 CA GLU A 105 14.184 7.928 24.104 1.00 0.00 C ATOM 1594 C GLU A 105 14.282 6.480 23.634 1.00 0.00 C ATOM 1595 O GLU A 105 13.825 6.137 22.544 1.00 0.00 O ATOM 1596 CB GLU A 105 13.410 7.997 25.423 1.00 0.00 C ATOM 1597 CG GLU A 105 11.907 7.858 25.254 1.00 0.00 C ATOM 1598 CD GLU A 105 11.176 7.773 26.580 1.00 0.00 C ATOM 1599 OE1 GLU A 105 11.546 8.521 27.509 1.00 0.00 O ATOM 1600 OE2 GLU A 105 10.235 6.960 26.689 1.00 0.00 O ATOM 0 H GLU A 105 12.965 8.245 22.427 1.00 0.00 H new ATOM 0 HA GLU A 105 15.193 8.309 24.263 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.767 7.209 26.086 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.626 8.947 25.912 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.528 8.710 24.689 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.692 6.965 24.667 1.00 0.00 H new ATOM 1607 N ASP A 106 14.883 5.635 24.465 1.00 0.00 N ATOM 1608 CA ASP A 106 15.042 4.223 24.136 1.00 0.00 C ATOM 1609 C ASP A 106 14.080 3.363 24.950 1.00 0.00 C ATOM 1610 O ASP A 106 14.141 3.341 26.180 1.00 0.00 O ATOM 1611 CB ASP A 106 16.483 3.777 24.389 1.00 0.00 C ATOM 1612 CG ASP A 106 16.930 4.044 25.812 1.00 0.00 C ATOM 1613 OD1 ASP A 106 17.025 5.230 26.192 1.00 0.00 O ATOM 1614 OD2 ASP A 106 17.184 3.067 26.547 1.00 0.00 O ATOM 0 H ASP A 106 15.268 5.903 25.371 1.00 0.00 H new ATOM 0 HA ASP A 106 14.810 4.094 23.079 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.573 2.712 24.177 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.148 4.297 23.699 1.00 0.00 H new ATOM 1619 N ILE A 107 13.192 2.659 24.257 1.00 0.00 N ATOM 1620 CA ILE A 107 12.217 1.798 24.916 1.00 0.00 C ATOM 1621 C ILE A 107 12.551 0.326 24.703 1.00 0.00 C ATOM 1622 O ILE A 107 12.950 -0.079 23.611 1.00 0.00 O ATOM 1623 CB ILE A 107 10.790 2.069 24.406 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.461 3.560 24.512 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.781 1.242 25.188 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.135 3.932 23.888 1.00 0.00 C ATOM 0 H ILE A 107 13.127 2.668 23.239 1.00 0.00 H new ATOM 0 HA ILE A 107 12.262 2.028 25.981 1.00 0.00 H new ATOM 0 HB ILE A 107 10.734 1.777 23.357 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.452 3.848 25.563 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.253 4.134 24.031 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.777 1.445 24.815 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.006 0.183 25.066 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.836 1.505 26.244 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.968 5.003 24.000 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.147 3.676 22.829 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.333 3.386 24.385 1.00 0.00 H new ATOM 1638 N MET A 108 12.383 -0.472 25.752 1.00 0.00 N ATOM 1639 CA MET A 108 12.663 -1.901 25.678 1.00 0.00 C ATOM 1640 C MET A 108 11.433 -2.673 25.211 1.00 0.00 C ATOM 1641 O MET A 108 10.307 -2.357 25.597 1.00 0.00 O ATOM 1642 CB MET A 108 13.120 -2.424 27.042 1.00 0.00 C ATOM 1643 CG MET A 108 14.599 -2.202 27.313 1.00 0.00 C ATOM 1644 SD MET A 108 15.384 -3.629 28.088 1.00 0.00 S ATOM 1645 CE MET A 108 17.096 -3.361 27.633 1.00 0.00 C ATOM 0 H MET A 108 12.054 -0.153 26.663 1.00 0.00 H new ATOM 0 HA MET A 108 13.462 -2.052 24.952 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.538 -1.935 27.823 1.00 0.00 H new ATOM 0 HB3 MET A 108 12.904 -3.490 27.104 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.107 -1.978 26.375 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.720 -1.331 27.957 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.746 -3.853 28.356 1.00 0.00 H new ATOM 0 HE2 MET A 108 17.278 -3.775 26.641 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.307 -2.292 27.624 1.00 0.00 H new ATOM 1655 N ILE A 109 11.656 -3.684 24.378 1.00 0.00 N ATOM 1656 CA ILE A 109 10.565 -4.501 23.860 1.00 0.00 C ATOM 1657 C ILE A 109 10.791 -5.977 24.165 1.00 0.00 C ATOM 1658 O ILE A 109 11.529 -6.664 23.457 1.00 0.00 O ATOM 1659 CB ILE A 109 10.402 -4.321 22.339 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.229 -2.841 21.994 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.217 -5.130 21.834 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.018 -2.207 22.641 1.00 0.00 C ATOM 0 H ILE A 109 12.582 -3.957 24.047 1.00 0.00 H new ATOM 0 HA ILE A 109 9.655 -4.166 24.357 1.00 0.00 H new ATOM 0 HB ILE A 109 11.303 -4.686 21.846 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.122 -2.298 22.303 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.150 -2.735 20.912 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.115 -4.992 20.758 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.378 -6.186 22.051 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.308 -4.792 22.331 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.959 -1.158 22.352 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.117 -2.725 22.313 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.104 -2.281 23.725 1.00 0.00 H new ATOM 1674 N THR A 110 10.149 -6.463 25.223 1.00 0.00 N ATOM 1675 CA THR A 110 10.279 -7.858 25.622 1.00 0.00 C ATOM 1676 C THR A 110 9.318 -8.746 24.839 1.00 0.00 C ATOM 1677 O THR A 110 8.100 -8.588 24.926 1.00 0.00 O ATOM 1678 CB THR A 110 10.014 -8.039 27.129 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.745 -7.060 27.876 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.412 -9.434 27.585 1.00 0.00 C ATOM 0 H THR A 110 9.533 -5.910 25.819 1.00 0.00 H new ATOM 0 HA THR A 110 11.305 -8.155 25.403 1.00 0.00 H new ATOM 0 HB THR A 110 8.947 -7.908 27.306 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.570 -7.181 28.833 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.216 -9.538 28.652 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.832 -10.176 27.036 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.474 -9.590 27.395 1.00 0.00 H new ATOM 1688 N VAL A 111 9.873 -9.680 24.074 1.00 0.00 N ATOM 1689 CA VAL A 111 9.065 -10.594 23.276 1.00 0.00 C ATOM 1690 C VAL A 111 9.439 -12.046 23.556 1.00 0.00 C ATOM 1691 O VAL A 111 10.610 -12.367 23.759 1.00 0.00 O ATOM 1692 CB VAL A 111 9.224 -10.316 21.770 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.447 -11.337 20.953 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.773 -8.901 21.439 1.00 0.00 C ATOM 0 H VAL A 111 10.879 -9.824 23.990 1.00 0.00 H new ATOM 0 HA VAL A 111 8.026 -10.428 23.560 1.00 0.00 H new ATOM 0 HB VAL A 111 10.279 -10.407 21.511 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.571 -11.124 19.891 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.822 -12.337 21.169 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.390 -11.282 21.213 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.892 -8.722 20.370 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.725 -8.780 21.713 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.378 -8.186 21.997 1.00 0.00 H new ATOM 1704 N ILE A 112 8.436 -12.918 23.565 1.00 0.00 N ATOM 1705 CA ILE A 112 8.661 -14.336 23.818 1.00 0.00 C ATOM 1706 C ILE A 112 8.373 -15.169 22.574 1.00 0.00 C ATOM 1707 O ILE A 112 7.263 -15.659 22.367 1.00 0.00 O ATOM 1708 CB ILE A 112 7.784 -14.846 24.977 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.921 -13.926 26.192 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.166 -16.273 25.341 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.346 -13.774 26.677 1.00 0.00 C ATOM 0 H ILE A 112 7.461 -12.668 23.400 1.00 0.00 H new ATOM 0 HA ILE A 112 9.711 -14.445 24.091 1.00 0.00 H new ATOM 0 HB ILE A 112 6.742 -14.840 24.656 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.525 -12.942 25.939 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.309 -14.317 27.005 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.538 -16.620 26.161 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.023 -16.920 24.476 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.212 -16.303 25.647 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.368 -13.109 27.540 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.740 -14.750 26.961 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.959 -13.354 25.880 1.00 0.00 H new ATOM 1723 N PRO A 113 9.397 -15.335 21.724 1.00 0.00 N ATOM 1724 CA PRO A 113 9.280 -16.111 20.486 1.00 0.00 C ATOM 1725 C PRO A 113 9.129 -17.605 20.750 1.00 0.00 C ATOM 1726 O PRO A 113 9.891 -18.188 21.520 1.00 0.00 O ATOM 1727 CB PRO A 113 10.599 -15.827 19.763 1.00 0.00 C ATOM 1728 CG PRO A 113 11.558 -15.476 20.848 1.00 0.00 C ATOM 1729 CD PRO A 113 10.749 -14.779 21.906 1.00 0.00 C ATOM 0 HA PRO A 113 8.395 -15.833 19.913 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.938 -16.698 19.201 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.492 -15.010 19.050 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.038 -16.369 21.249 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.351 -14.829 20.474 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.135 -14.981 22.905 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.760 -13.697 21.773 1.00 0.00 H new ATOM 1737 N GLU A 114 8.141 -18.219 20.106 1.00 0.00 N ATOM 1738 CA GLU A 114 7.890 -19.645 20.273 1.00 0.00 C ATOM 1739 C GLU A 114 8.672 -20.459 19.245 1.00 0.00 C ATOM 1740 O GLU A 114 8.783 -20.067 18.084 1.00 0.00 O ATOM 1741 CB GLU A 114 6.395 -19.942 20.145 1.00 0.00 C ATOM 1742 CG GLU A 114 5.514 -18.981 20.926 1.00 0.00 C ATOM 1743 CD GLU A 114 4.498 -19.696 21.795 1.00 0.00 C ATOM 1744 OE1 GLU A 114 3.443 -20.100 21.264 1.00 0.00 O ATOM 1745 OE2 GLU A 114 4.759 -19.852 23.006 1.00 0.00 O ATOM 0 H GLU A 114 7.502 -17.751 19.464 1.00 0.00 H new ATOM 0 HA GLU A 114 8.225 -19.932 21.270 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.115 -19.905 19.092 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.204 -20.958 20.490 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.141 -18.347 21.553 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.993 -18.324 20.230 1.00 0.00 H new