USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 155:sc= -0.253 (180deg=-0.678) USER MOD Set 1.2: A 89 MET CE :methyl 143:sc= -0.0616 (180deg=0) USER MOD Single : A 15 SER OG : rot 38:sc= 0.47 USER MOD Single : A 17 LYS NZ :NH3+ -109:sc= 0.141 (180deg=-0.288) USER MOD Single : A 20 ASN : amide:sc= 0.972 K(o=0.97,f=-0.5) USER MOD Single : A 22 THR OG1 : rot -42:sc= 0.622 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 169:sc= -0.975 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 118:sc= 0.443 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -87:sc= 0.139 USER MOD Single : A 44 TYR OH : rot 83:sc= 1.39 USER MOD Single : A 63 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-7.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -168:sc= -0.922 (180deg=-1.56) USER MOD Single : A 88 GLN : amide:sc= 0.633 K(o=0.63,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.510 6.871 5.062 1.00 0.00 N ATOM 204 CA SER A 15 10.228 6.708 4.388 1.00 0.00 C ATOM 205 C SER A 15 9.936 5.238 4.092 1.00 0.00 C ATOM 206 O SER A 15 10.853 4.454 3.854 1.00 0.00 O ATOM 207 CB SER A 15 10.237 7.507 3.087 1.00 0.00 C ATOM 208 OG SER A 15 10.404 8.881 3.358 1.00 0.00 O ATOM 0 HA SER A 15 9.443 7.078 5.048 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.043 7.156 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.304 7.347 2.547 1.00 0.00 H new ATOM 0 HG SER A 15 11.032 8.994 4.102 1.00 0.00 H new ATOM 214 N LEU A 16 8.649 4.862 4.100 1.00 0.00 N ATOM 215 CA LEU A 16 8.255 3.461 3.899 1.00 0.00 C ATOM 216 C LEU A 16 7.236 3.279 2.782 1.00 0.00 C ATOM 217 O LEU A 16 6.117 3.774 2.869 1.00 0.00 O ATOM 218 CB LEU A 16 7.731 2.939 5.239 1.00 0.00 C ATOM 219 CG LEU A 16 7.329 1.459 5.305 1.00 0.00 C ATOM 220 CD1 LEU A 16 5.896 1.242 4.823 1.00 0.00 C ATOM 221 CD2 LEU A 16 8.311 0.581 4.538 1.00 0.00 C ATOM 0 H LEU A 16 7.869 5.503 4.242 1.00 0.00 H new ATOM 0 HA LEU A 16 9.122 2.886 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.498 3.115 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.864 3.538 5.519 1.00 0.00 H new ATOM 0 HG LEU A 16 7.368 1.160 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.648 0.182 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.211 1.812 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.805 1.577 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.997 -0.461 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.332 0.887 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.307 0.688 4.968 1.00 0.00 H new ATOM 233 N LYS A 17 7.640 2.560 1.731 1.00 0.00 N ATOM 234 CA LYS A 17 6.913 2.435 0.474 1.00 0.00 C ATOM 235 C LYS A 17 6.134 1.132 0.453 1.00 0.00 C ATOM 236 O LYS A 17 6.580 0.110 0.970 1.00 0.00 O ATOM 237 CB LYS A 17 7.900 2.567 -0.695 1.00 0.00 C ATOM 238 CG LYS A 17 7.508 1.872 -1.998 1.00 0.00 C ATOM 239 CD LYS A 17 6.377 2.615 -2.701 1.00 0.00 C ATOM 240 CE LYS A 17 5.927 1.876 -3.950 1.00 0.00 C ATOM 241 NZ LYS A 17 7.040 1.678 -4.896 1.00 0.00 N ATOM 0 H LYS A 17 8.513 2.032 1.737 1.00 0.00 H new ATOM 0 HA LYS A 17 6.180 3.235 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.043 3.627 -0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.864 2.172 -0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.374 1.815 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.199 0.848 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.534 2.729 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.709 3.618 -2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.510 0.908 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.130 2.437 -4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.903 2.290 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.938 1.920 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.065 0.684 -5.200 1.00 0.00 H new ATOM 255 N VAL A 18 4.949 1.186 -0.157 1.00 0.00 N ATOM 256 CA VAL A 18 4.104 0.011 -0.326 1.00 0.00 C ATOM 257 C VAL A 18 3.646 -0.106 -1.766 1.00 0.00 C ATOM 258 O VAL A 18 3.314 0.917 -2.366 1.00 0.00 O ATOM 259 CB VAL A 18 2.880 0.181 0.555 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.741 -0.739 0.114 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.244 -0.075 2.012 1.00 0.00 C ATOM 0 H VAL A 18 4.553 2.042 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 18 4.666 -0.883 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 18 2.530 1.208 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.880 -0.591 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.462 -0.505 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.068 -1.777 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.359 0.050 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.623 -1.091 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.011 0.633 2.325 1.00 0.00 H new ATOM 271 N ASP A 19 3.642 -1.361 -2.248 1.00 0.00 N ATOM 272 CA ASP A 19 3.400 -1.801 -3.620 1.00 0.00 C ATOM 273 C ASP A 19 2.375 -2.952 -3.672 1.00 0.00 C ATOM 274 O ASP A 19 1.888 -3.409 -2.642 1.00 0.00 O ATOM 275 CB ASP A 19 4.718 -2.330 -4.213 1.00 0.00 C ATOM 276 CG ASP A 19 5.824 -1.292 -4.352 1.00 0.00 C ATOM 277 OD1 ASP A 19 6.541 -1.072 -3.353 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.940 -0.732 -5.461 1.00 0.00 O ATOM 0 H ASP A 19 3.824 -2.153 -1.632 1.00 0.00 H new ATOM 0 HA ASP A 19 3.014 -0.950 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.081 -3.144 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.512 -2.754 -5.196 1.00 0.00 H new ATOM 283 N ASN A 20 2.072 -3.411 -4.897 1.00 0.00 N ATOM 284 CA ASN A 20 1.173 -4.517 -5.236 1.00 0.00 C ATOM 285 C ASN A 20 -0.305 -4.204 -4.986 1.00 0.00 C ATOM 286 O ASN A 20 -0.717 -4.010 -3.846 1.00 0.00 O ATOM 287 CB ASN A 20 1.604 -5.806 -4.532 1.00 0.00 C ATOM 288 CG ASN A 20 1.155 -7.028 -5.327 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.418 -7.122 -6.520 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.470 -7.978 -4.693 1.00 0.00 N ATOM 0 H ASN A 20 2.479 -2.988 -5.731 1.00 0.00 H new ATOM 0 HA ASN A 20 1.261 -4.665 -6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.688 -5.819 -4.416 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.176 -5.840 -3.530 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.154 -8.804 -5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.262 -7.880 -3.699 1.00 0.00 H new ATOM 297 N LEU A 21 -1.094 -4.160 -6.066 1.00 0.00 N ATOM 298 CA LEU A 21 -2.521 -3.854 -6.036 1.00 0.00 C ATOM 299 C LEU A 21 -3.332 -4.809 -6.915 1.00 0.00 C ATOM 300 O LEU A 21 -2.774 -5.669 -7.594 1.00 0.00 O ATOM 301 CB LEU A 21 -2.748 -2.426 -6.552 1.00 0.00 C ATOM 302 CG LEU A 21 -1.867 -1.382 -5.874 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.173 -0.024 -6.497 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.106 -1.307 -4.371 1.00 0.00 C ATOM 0 H LEU A 21 -0.745 -4.342 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.854 -3.961 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.562 -2.403 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.794 -2.158 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.825 -1.666 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.554 0.740 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.960 -0.057 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.225 0.218 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.454 -0.549 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.146 -1.043 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.888 -2.275 -3.919 1.00 0.00 H new ATOM 316 N THR A 22 -4.659 -4.637 -6.889 1.00 0.00 N ATOM 317 CA THR A 22 -5.591 -5.395 -7.720 1.00 0.00 C ATOM 318 C THR A 22 -6.387 -4.476 -8.645 1.00 0.00 C ATOM 319 O THR A 22 -7.359 -4.922 -9.239 1.00 0.00 O ATOM 320 CB THR A 22 -6.536 -6.226 -6.841 1.00 0.00 C ATOM 321 OG1 THR A 22 -7.272 -7.140 -7.620 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.513 -5.354 -6.047 1.00 0.00 C ATOM 0 H THR A 22 -5.118 -3.958 -6.281 1.00 0.00 H new ATOM 0 HA THR A 22 -5.009 -6.071 -8.346 1.00 0.00 H new ATOM 0 HB THR A 22 -5.903 -6.763 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.577 -6.699 -8.441 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.159 -5.990 -5.442 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.954 -4.681 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.122 -4.770 -6.737 1.00 0.00 H new ATOM 329 N TYR A 23 -5.969 -3.202 -8.762 1.00 0.00 N ATOM 330 CA TYR A 23 -6.590 -2.154 -9.584 1.00 0.00 C ATOM 331 C TYR A 23 -7.744 -1.443 -8.871 1.00 0.00 C ATOM 332 O TYR A 23 -8.258 -0.442 -9.363 1.00 0.00 O ATOM 333 CB TYR A 23 -6.994 -2.685 -10.963 1.00 0.00 C ATOM 334 CG TYR A 23 -8.457 -2.511 -11.320 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.450 -3.247 -10.656 1.00 0.00 C ATOM 336 CD2 TYR A 23 -8.812 -1.604 -12.330 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.799 -3.083 -11.006 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.158 -1.427 -12.683 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.156 -2.171 -12.021 1.00 0.00 C ATOM 340 OH TYR A 23 -12.465 -2.001 -12.364 1.00 0.00 O ATOM 0 H TYR A 23 -5.149 -2.862 -8.260 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.828 -1.391 -9.744 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.390 -2.183 -11.719 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.749 -3.746 -11.012 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.176 -3.940 -9.875 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.045 -1.039 -12.838 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.563 -3.654 -10.499 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.428 -0.725 -13.458 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.532 -1.335 -13.080 1.00 0.00 H new ATOM 350 N ARG A 24 -8.139 -1.968 -7.713 1.00 0.00 N ATOM 351 CA ARG A 24 -9.254 -1.444 -6.932 1.00 0.00 C ATOM 352 C ARG A 24 -8.902 -1.337 -5.448 1.00 0.00 C ATOM 353 O ARG A 24 -9.757 -1.030 -4.622 1.00 0.00 O ATOM 354 CB ARG A 24 -10.444 -2.364 -7.201 1.00 0.00 C ATOM 355 CG ARG A 24 -11.756 -1.882 -6.571 1.00 0.00 C ATOM 356 CD ARG A 24 -12.910 -2.742 -7.080 1.00 0.00 C ATOM 357 NE ARG A 24 -14.194 -2.295 -6.521 1.00 0.00 N ATOM 358 CZ ARG A 24 -14.679 -2.678 -5.337 1.00 0.00 C ATOM 359 NH1 ARG A 24 -13.996 -3.509 -4.556 1.00 0.00 N ATOM 360 NH2 ARG A 24 -15.856 -2.222 -4.927 1.00 0.00 N ATOM 0 H ARG A 24 -7.688 -2.778 -7.287 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.501 -0.425 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.582 -2.458 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.214 -3.360 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.694 -1.943 -5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.930 -0.836 -6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.949 -2.696 -8.168 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.736 -3.784 -6.811 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.753 -1.647 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.088 -3.863 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.379 -3.793 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.388 -1.581 -5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.229 -2.513 -4.023 1.00 0.00 H new ATOM 374 N THR A 25 -7.639 -1.601 -5.101 1.00 0.00 N ATOM 375 CA THR A 25 -7.158 -1.502 -3.731 1.00 0.00 C ATOM 376 C THR A 25 -7.357 -0.093 -3.186 1.00 0.00 C ATOM 377 O THR A 25 -7.813 0.077 -2.058 1.00 0.00 O ATOM 378 CB THR A 25 -5.671 -1.827 -3.715 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.455 -3.092 -4.287 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.127 -1.791 -2.293 1.00 0.00 C ATOM 0 H THR A 25 -6.924 -1.890 -5.768 1.00 0.00 H new ATOM 0 HA THR A 25 -7.718 -2.200 -3.109 1.00 0.00 H new ATOM 0 HB THR A 25 -5.142 -1.075 -4.300 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.496 -3.223 -4.438 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.063 -2.026 -2.305 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.274 -0.796 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.654 -2.525 -1.683 1.00 0.00 H new ATOM 387 N SER A 26 -7.008 0.905 -4.005 1.00 0.00 N ATOM 388 CA SER A 26 -7.108 2.330 -3.706 1.00 0.00 C ATOM 389 C SER A 26 -6.323 2.788 -2.468 1.00 0.00 C ATOM 390 O SER A 26 -6.060 2.009 -1.552 1.00 0.00 O ATOM 391 CB SER A 26 -8.585 2.713 -3.618 1.00 0.00 C ATOM 392 OG SER A 26 -9.188 2.584 -4.890 1.00 0.00 O ATOM 0 H SER A 26 -6.631 0.729 -4.936 1.00 0.00 H new ATOM 0 HA SER A 26 -6.627 2.862 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.094 2.073 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.684 3.738 -3.260 1.00 0.00 H new ATOM 0 HG SER A 26 -10.135 2.829 -4.829 1.00 0.00 H new ATOM 398 N PRO A 27 -5.941 4.075 -2.431 1.00 0.00 N ATOM 399 CA PRO A 27 -5.177 4.678 -1.337 1.00 0.00 C ATOM 400 C PRO A 27 -5.999 4.749 -0.055 1.00 0.00 C ATOM 401 O PRO A 27 -5.432 4.860 1.028 1.00 0.00 O ATOM 402 CB PRO A 27 -4.806 6.076 -1.823 1.00 0.00 C ATOM 403 CG PRO A 27 -5.820 6.400 -2.915 1.00 0.00 C ATOM 404 CD PRO A 27 -6.220 5.042 -3.479 1.00 0.00 C ATOM 0 HA PRO A 27 -4.296 4.084 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.856 6.802 -1.011 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.788 6.101 -2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.682 6.932 -2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.384 7.037 -3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.275 5.028 -3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.654 4.813 -4.382 1.00 0.00 H new ATOM 412 N ASP A 28 -7.325 4.685 -0.168 1.00 0.00 N ATOM 413 CA ASP A 28 -8.216 4.745 0.980 1.00 0.00 C ATOM 414 C ASP A 28 -8.112 3.489 1.845 1.00 0.00 C ATOM 415 O ASP A 28 -7.988 3.572 3.067 1.00 0.00 O ATOM 416 CB ASP A 28 -9.645 4.873 0.457 1.00 0.00 C ATOM 417 CG ASP A 28 -9.864 6.216 -0.233 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.099 7.204 0.494 1.00 0.00 O ATOM 419 OD2 ASP A 28 -9.794 6.236 -1.482 1.00 0.00 O ATOM 0 H ASP A 28 -7.808 4.590 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.937 5.597 1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.852 4.064 -0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.348 4.767 1.283 1.00 0.00 H new ATOM 424 N THR A 29 -8.160 2.316 1.203 1.00 0.00 N ATOM 425 CA THR A 29 -8.077 1.062 1.940 1.00 0.00 C ATOM 426 C THR A 29 -6.690 0.960 2.543 1.00 0.00 C ATOM 427 O THR A 29 -6.541 0.578 3.701 1.00 0.00 O ATOM 428 CB THR A 29 -8.307 -0.120 0.999 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.505 0.080 0.279 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.434 -1.420 1.793 1.00 0.00 C ATOM 0 H THR A 29 -8.254 2.215 0.192 1.00 0.00 H new ATOM 0 HA THR A 29 -8.839 1.040 2.719 1.00 0.00 H new ATOM 0 HB THR A 29 -7.458 -0.190 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.305 0.138 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.597 -2.251 1.107 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.518 -1.592 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.277 -1.346 2.480 1.00 0.00 H new ATOM 437 N LEU A 30 -5.672 1.314 1.757 1.00 0.00 N ATOM 438 CA LEU A 30 -4.302 1.303 2.234 1.00 0.00 C ATOM 439 C LEU A 30 -4.137 2.294 3.380 1.00 0.00 C ATOM 440 O LEU A 30 -3.249 2.132 4.212 1.00 0.00 O ATOM 441 CB LEU A 30 -3.369 1.690 1.088 1.00 0.00 C ATOM 442 CG LEU A 30 -3.436 0.694 -0.068 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.841 1.345 -1.317 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.639 -0.562 0.265 1.00 0.00 C ATOM 0 H LEU A 30 -5.778 1.611 0.787 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.055 0.304 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.633 2.684 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.345 1.747 1.458 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.476 0.418 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.884 0.642 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.411 2.239 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.803 1.618 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.697 -1.261 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.597 -0.295 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.052 -1.029 1.159 1.00 0.00 H new ATOM 456 N ARG A 31 -4.983 3.327 3.432 1.00 0.00 N ATOM 457 CA ARG A 31 -4.867 4.356 4.452 1.00 0.00 C ATOM 458 C ARG A 31 -5.047 3.733 5.823 1.00 0.00 C ATOM 459 O ARG A 31 -4.167 3.824 6.672 1.00 0.00 O ATOM 460 CB ARG A 31 -5.940 5.434 4.229 1.00 0.00 C ATOM 461 CG ARG A 31 -5.542 6.844 4.680 1.00 0.00 C ATOM 462 CD ARG A 31 -4.715 6.891 5.961 1.00 0.00 C ATOM 463 NE ARG A 31 -4.443 8.282 6.336 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.499 9.056 5.791 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.732 8.607 4.806 1.00 0.00 N ATOM 466 NH2 ARG A 31 -3.319 10.299 6.236 1.00 0.00 N ATOM 0 H ARG A 31 -5.753 3.467 2.777 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.881 4.815 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.189 5.464 3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.845 5.140 4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.976 7.321 3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.447 7.434 4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.249 6.387 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.777 6.355 5.817 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.020 8.692 7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.858 7.658 4.453 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.016 9.211 4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.901 10.659 6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.599 10.890 5.821 1.00 0.00 H new ATOM 480 N ARG A 32 -6.200 3.095 6.025 1.00 0.00 N ATOM 481 CA ARG A 32 -6.549 2.509 7.317 1.00 0.00 C ATOM 482 C ARG A 32 -5.946 1.120 7.506 1.00 0.00 C ATOM 483 O ARG A 32 -6.039 0.553 8.592 1.00 0.00 O ATOM 484 CB ARG A 32 -8.072 2.475 7.425 1.00 0.00 C ATOM 485 CG ARG A 32 -8.672 1.541 6.370 1.00 0.00 C ATOM 486 CD ARG A 32 -10.023 2.072 5.903 1.00 0.00 C ATOM 487 NE ARG A 32 -10.993 2.122 7.005 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.226 2.629 6.896 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.659 3.133 5.744 1.00 0.00 N ATOM 490 NH2 ARG A 32 -13.033 2.630 7.953 1.00 0.00 N ATOM 0 H ARG A 32 -6.911 2.971 5.305 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.129 3.123 8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.363 2.141 8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.473 3.481 7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.993 1.456 5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.790 0.540 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.897 3.070 5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.409 1.436 5.106 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.709 1.747 7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.048 3.137 4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.602 3.516 5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.711 2.245 8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.974 3.015 7.876 1.00 0.00 H new ATOM 504 N VAL A 33 -5.328 0.570 6.461 1.00 0.00 N ATOM 505 CA VAL A 33 -4.626 -0.705 6.533 1.00 0.00 C ATOM 506 C VAL A 33 -3.175 -0.514 6.962 1.00 0.00 C ATOM 507 O VAL A 33 -2.530 -1.469 7.388 1.00 0.00 O ATOM 508 CB VAL A 33 -4.682 -1.373 5.158 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.630 -2.466 4.991 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.058 -2.017 4.999 1.00 0.00 C ATOM 0 H VAL A 33 -5.302 1.001 5.537 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.110 -1.335 7.279 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.491 -0.606 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.716 -2.905 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.636 -2.036 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.786 -3.239 5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.123 -2.501 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.205 -2.760 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.829 -1.251 5.076 1.00 0.00 H new ATOM 520 N PHE A 34 -2.653 0.709 6.860 1.00 0.00 N ATOM 521 CA PHE A 34 -1.264 0.977 7.188 1.00 0.00 C ATOM 522 C PHE A 34 -1.146 2.005 8.299 1.00 0.00 C ATOM 523 O PHE A 34 -0.303 1.855 9.182 1.00 0.00 O ATOM 524 CB PHE A 34 -0.561 1.468 5.922 1.00 0.00 C ATOM 525 CG PHE A 34 0.009 0.358 5.081 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.200 -0.265 5.474 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.644 -0.044 3.912 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.733 -1.311 4.706 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.106 -1.077 3.137 1.00 0.00 C ATOM 530 CZ PHE A 34 1.075 -1.721 3.538 1.00 0.00 C ATOM 0 H PHE A 34 -3.178 1.527 6.551 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.793 0.063 7.550 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.269 2.040 5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.242 2.149 6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.709 0.060 6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.560 0.441 3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.646 -1.798 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.601 -1.380 2.226 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.476 -2.531 2.947 1.00 0.00 H new ATOM 540 N GLU A 35 -1.976 3.045 8.278 1.00 0.00 N ATOM 541 CA GLU A 35 -1.898 4.041 9.326 1.00 0.00 C ATOM 542 C GLU A 35 -2.288 3.435 10.671 1.00 0.00 C ATOM 543 O GLU A 35 -2.005 4.012 11.720 1.00 0.00 O ATOM 544 CB GLU A 35 -2.757 5.263 8.988 1.00 0.00 C ATOM 545 CG GLU A 35 -4.225 5.122 9.392 1.00 0.00 C ATOM 546 CD GLU A 35 -4.471 5.475 10.861 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.975 6.545 11.291 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.151 4.679 11.544 1.00 0.00 O ATOM 0 H GLU A 35 -2.688 3.212 7.567 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.865 4.382 9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.337 6.138 9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.702 5.447 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.835 5.768 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.551 4.098 9.209 1.00 0.00 H new ATOM 555 N LYS A 36 -2.938 2.269 10.637 1.00 0.00 N ATOM 556 CA LYS A 36 -3.413 1.596 11.830 1.00 0.00 C ATOM 557 C LYS A 36 -2.267 1.244 12.762 1.00 0.00 C ATOM 558 O LYS A 36 -2.433 1.239 13.980 1.00 0.00 O ATOM 559 CB LYS A 36 -4.167 0.327 11.432 1.00 0.00 C ATOM 560 CG LYS A 36 -3.243 -0.698 10.763 1.00 0.00 C ATOM 561 CD LYS A 36 -4.016 -1.834 10.094 1.00 0.00 C ATOM 562 CE LYS A 36 -5.082 -2.412 11.022 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.648 -3.657 10.471 1.00 0.00 N ATOM 0 H LYS A 36 -3.146 1.770 9.772 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.081 2.273 12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.623 -0.118 12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.978 0.585 10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.626 -0.195 10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.566 -1.114 11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.487 -1.467 9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.323 -2.622 9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.647 -2.609 12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.877 -1.681 11.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.370 -4.028 11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.083 -3.461 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.891 -4.361 10.355 1.00 0.00 H new ATOM 577 N TYR A 37 -1.096 0.946 12.188 1.00 0.00 N ATOM 578 CA TYR A 37 0.066 0.609 12.983 1.00 0.00 C ATOM 579 C TYR A 37 0.667 1.852 13.637 1.00 0.00 C ATOM 580 O TYR A 37 1.401 1.742 14.619 1.00 0.00 O ATOM 581 CB TYR A 37 1.098 -0.079 12.097 1.00 0.00 C ATOM 582 CG TYR A 37 0.590 -1.382 11.530 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.722 -2.566 12.270 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.023 -1.408 10.270 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.229 -3.774 11.760 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.514 -2.615 9.754 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.398 -3.803 10.500 1.00 0.00 C ATOM 588 OH TYR A 37 -0.888 -4.973 10.010 1.00 0.00 O ATOM 0 H TYR A 37 -0.939 0.934 11.180 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.238 -0.068 13.782 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.373 0.587 11.280 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.003 -0.265 12.675 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.205 -2.546 13.236 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.117 -0.498 9.696 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.330 -4.683 12.334 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.983 -2.634 8.781 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.180 -5.448 9.527 1.00 0.00 H new ATOM 598 N GLY A 38 0.353 3.032 13.095 1.00 0.00 N ATOM 599 CA GLY A 38 0.752 4.291 13.711 1.00 0.00 C ATOM 600 C GLY A 38 0.240 5.492 12.924 1.00 0.00 C ATOM 601 O GLY A 38 -0.524 6.296 13.461 1.00 0.00 O ATOM 0 H GLY A 38 -0.177 3.137 12.230 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.369 4.334 14.731 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.839 4.336 13.776 1.00 0.00 H new ATOM 605 N ARG A 39 0.651 5.617 11.658 1.00 0.00 N ATOM 606 CA ARG A 39 0.197 6.692 10.785 1.00 0.00 C ATOM 607 C ARG A 39 0.668 6.459 9.358 1.00 0.00 C ATOM 608 O ARG A 39 1.521 5.609 9.117 1.00 0.00 O ATOM 609 CB ARG A 39 0.773 8.023 11.280 1.00 0.00 C ATOM 610 CG ARG A 39 -0.113 9.225 10.945 1.00 0.00 C ATOM 611 CD ARG A 39 -1.470 9.082 11.623 1.00 0.00 C ATOM 612 NE ARG A 39 -2.256 10.316 11.498 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.593 10.370 11.478 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.334 9.265 11.542 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.208 11.546 11.393 1.00 0.00 N ATOM 0 H ARG A 39 1.307 4.974 11.215 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.893 6.716 10.803 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.912 7.972 12.360 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.758 8.172 10.838 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.371 10.145 11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.244 9.300 9.865 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.017 8.252 11.177 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.330 8.842 12.677 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.746 11.196 11.421 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.884 8.352 11.608 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.352 9.332 11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.661 12.405 11.343 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.227 11.589 11.378 1.00 0.00 H new ATOM 629 N VAL A 40 0.113 7.221 8.418 1.00 0.00 N ATOM 630 CA VAL A 40 0.564 7.224 7.039 1.00 0.00 C ATOM 631 C VAL A 40 0.730 8.670 6.582 1.00 0.00 C ATOM 632 O VAL A 40 -0.242 9.337 6.228 1.00 0.00 O ATOM 633 CB VAL A 40 -0.434 6.482 6.147 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.004 6.590 4.696 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.471 4.992 6.450 1.00 0.00 C ATOM 0 H VAL A 40 -0.666 7.855 8.598 1.00 0.00 H new ATOM 0 HA VAL A 40 1.521 6.708 6.963 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.408 6.935 6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.717 6.060 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.030 7.640 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.985 6.148 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.192 4.505 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.517 4.563 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.764 4.839 7.489 1.00 0.00 H new ATOM 645 N GLY A 41 1.975 9.145 6.594 1.00 0.00 N ATOM 646 CA GLY A 41 2.317 10.493 6.165 1.00 0.00 C ATOM 647 C GLY A 41 1.896 10.780 4.720 1.00 0.00 C ATOM 648 O GLY A 41 1.648 11.929 4.365 1.00 0.00 O ATOM 0 H GLY A 41 2.778 8.598 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.838 11.213 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.393 10.638 6.261 1.00 0.00 H new ATOM 652 N ASP A 42 1.812 9.737 3.888 1.00 0.00 N ATOM 653 CA ASP A 42 1.433 9.849 2.484 1.00 0.00 C ATOM 654 C ASP A 42 0.866 8.512 2.016 1.00 0.00 C ATOM 655 O ASP A 42 1.407 7.462 2.357 1.00 0.00 O ATOM 656 CB ASP A 42 2.683 10.154 1.653 1.00 0.00 C ATOM 657 CG ASP A 42 3.061 11.631 1.680 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.209 12.455 1.275 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.201 11.921 2.105 1.00 0.00 O ATOM 0 H ASP A 42 2.009 8.780 4.179 1.00 0.00 H new ATOM 0 HA ASP A 42 0.693 10.641 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.518 9.563 2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.513 9.845 0.622 1.00 0.00 H new ATOM 664 N VAL A 43 -0.219 8.537 1.242 1.00 0.00 N ATOM 665 CA VAL A 43 -0.798 7.314 0.702 1.00 0.00 C ATOM 666 C VAL A 43 -1.400 7.645 -0.661 1.00 0.00 C ATOM 667 O VAL A 43 -2.397 8.362 -0.761 1.00 0.00 O ATOM 668 CB VAL A 43 -1.785 6.712 1.719 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.230 7.173 1.589 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.749 5.188 1.739 1.00 0.00 C ATOM 0 H VAL A 43 -0.711 9.390 0.977 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.052 6.536 0.540 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.417 7.107 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.837 6.688 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.280 8.254 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.609 6.908 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.464 4.817 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.010 4.805 0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.747 4.851 2.006 1.00 0.00 H new ATOM 680 N TYR A 44 -0.790 7.126 -1.726 1.00 0.00 N ATOM 681 CA TYR A 44 -1.277 7.375 -3.074 1.00 0.00 C ATOM 682 C TYR A 44 -0.917 6.225 -4.007 1.00 0.00 C ATOM 683 O TYR A 44 -0.130 5.351 -3.643 1.00 0.00 O ATOM 684 CB TYR A 44 -0.705 8.691 -3.598 1.00 0.00 C ATOM 685 CG TYR A 44 0.670 8.590 -4.214 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.819 8.726 -3.421 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.786 8.362 -5.591 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.087 8.669 -4.021 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.049 8.286 -6.193 1.00 0.00 C ATOM 690 CZ TYR A 44 3.206 8.450 -5.409 1.00 0.00 C ATOM 691 OH TYR A 44 4.440 8.401 -5.987 1.00 0.00 O ATOM 0 H TYR A 44 0.039 6.533 -1.678 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.364 7.449 -3.041 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.391 9.097 -4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.667 9.406 -2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.729 8.874 -2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.103 8.244 -6.192 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.974 8.793 -3.418 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.134 8.102 -7.254 1.00 0.00 H new ATOM 0 HH TYR A 44 4.816 7.502 -5.880 1.00 0.00 H new ATOM 701 N ILE A 45 -1.496 6.232 -5.210 1.00 0.00 N ATOM 702 CA ILE A 45 -1.269 5.204 -6.214 1.00 0.00 C ATOM 703 C ILE A 45 -0.766 5.877 -7.494 1.00 0.00 C ATOM 704 O ILE A 45 -1.507 6.638 -8.115 1.00 0.00 O ATOM 705 CB ILE A 45 -2.571 4.432 -6.486 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.935 3.397 -5.414 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.419 3.646 -7.791 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.106 3.982 -4.022 1.00 0.00 C ATOM 0 H ILE A 45 -2.141 6.962 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.524 4.492 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.354 5.190 -6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.860 2.899 -5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.158 2.633 -5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.337 3.095 -7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.223 4.337 -8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.588 2.946 -7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.362 3.187 -3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.175 4.455 -3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.904 4.725 -4.035 1.00 0.00 H new ATOM 720 N PRO A 46 0.481 5.602 -7.899 1.00 0.00 N ATOM 721 CA PRO A 46 1.065 6.026 -9.164 1.00 0.00 C ATOM 722 C PRO A 46 0.460 5.241 -10.328 1.00 0.00 C ATOM 723 O PRO A 46 1.141 4.437 -10.963 1.00 0.00 O ATOM 724 CB PRO A 46 2.568 5.782 -9.023 1.00 0.00 C ATOM 725 CG PRO A 46 2.627 4.604 -8.059 1.00 0.00 C ATOM 726 CD PRO A 46 1.445 4.838 -7.129 1.00 0.00 C ATOM 0 HA PRO A 46 0.863 7.075 -9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.031 5.545 -9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.085 6.656 -8.626 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.541 3.653 -8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.569 4.582 -7.511 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.017 3.893 -6.795 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.752 5.383 -6.236 1.00 0.00 H new ATOM 900 N GLY A 56 -0.230 -1.369 -11.088 1.00 0.00 N ATOM 901 CA GLY A 56 -0.258 -2.584 -10.290 1.00 0.00 C ATOM 902 C GLY A 56 0.421 -2.411 -8.928 1.00 0.00 C ATOM 903 O GLY A 56 0.630 -3.399 -8.230 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.293 -2.891 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.236 -3.386 -10.839 1.00 0.00 H new ATOM 907 N PHE A 57 0.767 -1.179 -8.540 1.00 0.00 N ATOM 908 CA PHE A 57 1.430 -0.919 -7.272 1.00 0.00 C ATOM 909 C PHE A 57 0.998 0.428 -6.712 1.00 0.00 C ATOM 910 O PHE A 57 0.677 1.354 -7.460 1.00 0.00 O ATOM 911 CB PHE A 57 2.951 -0.960 -7.451 1.00 0.00 C ATOM 912 CG PHE A 57 3.555 0.271 -8.103 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.362 0.531 -9.470 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.315 1.166 -7.330 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.916 1.682 -10.050 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.879 2.308 -7.917 1.00 0.00 C ATOM 917 CZ PHE A 57 4.673 2.571 -9.278 1.00 0.00 C ATOM 0 H PHE A 57 0.594 -0.343 -9.098 1.00 0.00 H new ATOM 0 HA PHE A 57 1.141 -1.695 -6.563 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.413 -1.098 -6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.207 -1.833 -8.051 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.787 -0.155 -10.074 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.465 0.973 -6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.757 1.884 -11.099 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.472 2.985 -7.320 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.097 3.456 -9.729 1.00 0.00 H new ATOM 927 N ALA A 58 0.995 0.523 -5.384 1.00 0.00 N ATOM 928 CA ALA A 58 0.672 1.750 -4.681 1.00 0.00 C ATOM 929 C ALA A 58 1.966 2.456 -4.315 1.00 0.00 C ATOM 930 O ALA A 58 3.029 2.128 -4.834 1.00 0.00 O ATOM 931 CB ALA A 58 -0.139 1.427 -3.429 1.00 0.00 C ATOM 0 H ALA A 58 1.219 -0.258 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 58 0.073 2.403 -5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.380 2.351 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.061 0.920 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.444 0.779 -2.775 1.00 0.00 H new ATOM 937 N PHE A 59 1.862 3.429 -3.415 1.00 0.00 N ATOM 938 CA PHE A 59 2.999 4.159 -2.901 1.00 0.00 C ATOM 939 C PHE A 59 2.580 4.784 -1.596 1.00 0.00 C ATOM 940 O PHE A 59 2.440 6.003 -1.491 1.00 0.00 O ATOM 941 CB PHE A 59 3.446 5.181 -3.942 1.00 0.00 C ATOM 942 CG PHE A 59 4.915 5.546 -3.914 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.599 5.760 -2.707 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.599 5.662 -5.132 1.00 0.00 C ATOM 945 CE1 PHE A 59 6.963 6.089 -2.727 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.960 5.989 -5.149 1.00 0.00 C ATOM 947 CZ PHE A 59 7.644 6.206 -3.944 1.00 0.00 C ATOM 0 H PHE A 59 0.971 3.731 -3.022 1.00 0.00 H new ATOM 0 HA PHE A 59 3.857 3.514 -2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.206 4.793 -4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.862 6.091 -3.806 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.077 5.672 -1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.074 5.498 -6.061 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.490 6.253 -1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.483 6.074 -6.090 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.693 6.463 -3.955 1.00 0.00 H new ATOM 957 N VAL A 60 2.370 3.931 -0.591 1.00 0.00 N ATOM 958 CA VAL A 60 2.220 4.554 0.717 1.00 0.00 C ATOM 959 C VAL A 60 3.614 5.040 1.098 1.00 0.00 C ATOM 960 O VAL A 60 4.587 4.492 0.590 1.00 0.00 O ATOM 961 CB VAL A 60 1.577 3.673 1.794 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.460 2.769 1.275 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.570 2.945 2.691 1.00 0.00 C ATOM 0 H VAL A 60 2.305 2.914 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 60 1.504 5.373 0.652 1.00 0.00 H new ATOM 0 HB VAL A 60 1.084 4.390 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.058 2.179 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.333 3.381 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.858 2.102 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.028 2.346 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.199 2.294 2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.194 3.673 3.209 1.00 0.00 H new ATOM 973 N ARG A 61 3.717 6.044 1.968 1.00 0.00 N ATOM 974 CA ARG A 61 4.980 6.568 2.468 1.00 0.00 C ATOM 975 C ARG A 61 4.792 7.058 3.889 1.00 0.00 C ATOM 976 O ARG A 61 4.112 8.048 4.145 1.00 0.00 O ATOM 977 CB ARG A 61 5.557 7.631 1.531 1.00 0.00 C ATOM 978 CG ARG A 61 6.457 8.621 2.281 1.00 0.00 C ATOM 979 CD ARG A 61 7.192 9.546 1.311 1.00 0.00 C ATOM 980 NE ARG A 61 8.245 10.297 2.009 1.00 0.00 N ATOM 981 CZ ARG A 61 8.097 11.502 2.567 1.00 0.00 C ATOM 982 NH1 ARG A 61 6.930 12.139 2.554 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.139 12.075 3.161 1.00 0.00 N ATOM 0 H ARG A 61 2.903 6.525 2.352 1.00 0.00 H new ATOM 0 HA ARG A 61 5.724 5.771 2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.129 7.147 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.743 8.172 1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.855 9.215 2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.181 8.073 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.630 8.960 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.485 10.239 0.855 1.00 0.00 H new ATOM 0 HE ARG A 61 9.165 9.862 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.119 11.708 2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.846 13.058 2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.039 11.595 3.187 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.039 12.995 3.591 1.00 0.00 H new ATOM 997 N PHE A 62 5.410 6.336 4.820 1.00 0.00 N ATOM 998 CA PHE A 62 5.395 6.723 6.215 1.00 0.00 C ATOM 999 C PHE A 62 6.469 7.768 6.429 1.00 0.00 C ATOM 1000 O PHE A 62 7.503 7.735 5.762 1.00 0.00 O ATOM 1001 CB PHE A 62 5.649 5.525 7.109 1.00 0.00 C ATOM 1002 CG PHE A 62 4.474 4.578 7.215 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.629 4.325 6.121 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.223 3.964 8.446 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.532 3.465 6.248 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.140 3.093 8.578 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.311 2.828 7.483 1.00 0.00 C ATOM 0 H PHE A 62 5.927 5.478 4.626 1.00 0.00 H new ATOM 0 HA PHE A 62 4.416 7.128 6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.511 4.977 6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.910 5.878 8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.828 4.800 5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.865 4.163 9.292 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.868 3.294 5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.941 2.622 9.529 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.495 2.129 7.586 1.00 0.00 H new ATOM 1017 N HIS A 63 6.181 8.671 7.369 1.00 0.00 N ATOM 1018 CA HIS A 63 7.012 9.801 7.753 1.00 0.00 C ATOM 1019 C HIS A 63 7.901 9.441 8.944 1.00 0.00 C ATOM 1020 O HIS A 63 8.724 10.253 9.370 1.00 0.00 O ATOM 1021 CB HIS A 63 6.068 10.946 8.148 1.00 0.00 C ATOM 1022 CG HIS A 63 5.030 10.508 9.155 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.236 9.541 10.141 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.744 10.962 9.249 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.072 9.429 10.791 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.162 10.278 10.288 1.00 0.00 N ATOM 0 H HIS A 63 5.316 8.626 7.907 1.00 0.00 H new ATOM 0 HA HIS A 63 7.661 10.087 6.925 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.651 11.768 8.564 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.569 11.327 7.257 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.277 11.712 8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.889 8.748 11.609 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.205 10.395 10.620 1.00 0.00 H new ATOM 1034 N ASP A 64 7.735 8.230 9.483 1.00 0.00 N ATOM 1035 CA ASP A 64 8.452 7.772 10.658 1.00 0.00 C ATOM 1036 C ASP A 64 8.748 6.283 10.502 1.00 0.00 C ATOM 1037 O ASP A 64 7.840 5.455 10.452 1.00 0.00 O ATOM 1038 CB ASP A 64 7.620 8.056 11.912 1.00 0.00 C ATOM 1039 CG ASP A 64 8.411 7.806 13.190 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.284 6.907 13.173 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.137 8.517 14.182 1.00 0.00 O ATOM 0 H ASP A 64 7.089 7.537 9.105 1.00 0.00 H new ATOM 0 HA ASP A 64 9.398 8.304 10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.278 9.091 11.894 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.730 7.426 11.907 1.00 0.00 H new ATOM 1046 N LYS A 65 10.040 5.954 10.427 1.00 0.00 N ATOM 1047 CA LYS A 65 10.521 4.596 10.237 1.00 0.00 C ATOM 1048 C LYS A 65 10.027 3.633 11.318 1.00 0.00 C ATOM 1049 O LYS A 65 9.982 2.433 11.074 1.00 0.00 O ATOM 1050 CB LYS A 65 12.048 4.607 10.179 1.00 0.00 C ATOM 1051 CG LYS A 65 12.677 4.920 11.541 1.00 0.00 C ATOM 1052 CD LYS A 65 13.887 5.843 11.398 1.00 0.00 C ATOM 1053 CE LYS A 65 14.909 5.284 10.411 1.00 0.00 C ATOM 1054 NZ LYS A 65 15.939 6.298 10.107 1.00 0.00 N ATOM 0 H LYS A 65 10.790 6.642 10.499 1.00 0.00 H new ATOM 0 HA LYS A 65 10.114 4.228 9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.404 3.637 9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.377 5.348 9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.935 5.388 12.187 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.981 3.992 12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.557 6.826 11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.358 5.979 12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.378 4.394 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.408 4.979 9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.627 5.903 9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.488 7.136 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.428 6.569 10.984 1.00 0.00 H new ATOM 1068 N ARG A 66 9.657 4.130 12.500 1.00 0.00 N ATOM 1069 CA ARG A 66 9.214 3.264 13.587 1.00 0.00 C ATOM 1070 C ARG A 66 7.815 2.724 13.310 1.00 0.00 C ATOM 1071 O ARG A 66 7.571 1.522 13.430 1.00 0.00 O ATOM 1072 CB ARG A 66 9.234 4.051 14.898 1.00 0.00 C ATOM 1073 CG ARG A 66 10.631 4.579 15.239 1.00 0.00 C ATOM 1074 CD ARG A 66 11.668 3.455 15.261 1.00 0.00 C ATOM 1075 NE ARG A 66 12.978 3.945 15.694 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.118 3.263 15.538 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.124 2.063 14.963 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.264 3.789 15.960 1.00 0.00 N ATOM 0 H ARG A 66 9.656 5.125 12.726 1.00 0.00 H new ATOM 0 HA ARG A 66 9.891 2.414 13.665 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.539 4.888 14.827 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.882 3.412 15.708 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.925 5.332 14.507 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.607 5.072 16.211 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.334 2.663 15.932 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.752 3.016 14.267 1.00 0.00 H new ATOM 0 HE ARG A 66 13.024 4.861 16.141 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.251 1.651 14.634 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.002 1.555 14.851 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.271 4.709 16.401 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.136 3.273 15.843 1.00 0.00 H new ATOM 1092 N ASP A 67 6.886 3.610 12.934 1.00 0.00 N ATOM 1093 CA ASP A 67 5.537 3.184 12.585 1.00 0.00 C ATOM 1094 C ASP A 67 5.591 2.335 11.319 1.00 0.00 C ATOM 1095 O ASP A 67 4.722 1.499 11.078 1.00 0.00 O ATOM 1096 CB ASP A 67 4.646 4.404 12.355 1.00 0.00 C ATOM 1097 CG ASP A 67 4.505 5.255 13.615 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.335 4.663 14.705 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.571 6.495 13.480 1.00 0.00 O ATOM 0 H ASP A 67 7.046 4.615 12.866 1.00 0.00 H new ATOM 0 HA ASP A 67 5.120 2.595 13.402 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.063 5.012 11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.660 4.076 12.027 1.00 0.00 H new ATOM 1104 N ALA A 68 6.628 2.568 10.510 1.00 0.00 N ATOM 1105 CA ALA A 68 6.859 1.856 9.273 1.00 0.00 C ATOM 1106 C ALA A 68 7.469 0.478 9.529 1.00 0.00 C ATOM 1107 O ALA A 68 7.187 -0.451 8.780 1.00 0.00 O ATOM 1108 CB ALA A 68 7.816 2.714 8.459 1.00 0.00 C ATOM 0 H ALA A 68 7.338 3.272 10.710 1.00 0.00 H new ATOM 0 HA ALA A 68 5.920 1.688 8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.027 2.223 7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.362 3.687 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.745 2.848 9.013 1.00 0.00 H new ATOM 1114 N GLU A 69 8.297 0.344 10.572 1.00 0.00 N ATOM 1115 CA GLU A 69 8.885 -0.935 10.925 1.00 0.00 C ATOM 1116 C GLU A 69 7.797 -1.951 11.232 1.00 0.00 C ATOM 1117 O GLU A 69 7.836 -3.067 10.719 1.00 0.00 O ATOM 1118 CB GLU A 69 9.754 -0.788 12.172 1.00 0.00 C ATOM 1119 CG GLU A 69 11.201 -0.452 11.815 1.00 0.00 C ATOM 1120 CD GLU A 69 12.073 -0.425 13.071 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.100 0.637 13.734 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.707 -1.466 13.360 1.00 0.00 O ATOM 0 H GLU A 69 8.570 1.114 11.183 1.00 0.00 H new ATOM 0 HA GLU A 69 9.486 -1.272 10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.345 -0.005 12.810 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.726 -1.714 12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.589 -1.190 11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.243 0.516 11.316 1.00 0.00 H new ATOM 1129 N ASP A 70 6.827 -1.574 12.064 1.00 0.00 N ATOM 1130 CA ASP A 70 5.801 -2.523 12.462 1.00 0.00 C ATOM 1131 C ASP A 70 4.817 -2.783 11.321 1.00 0.00 C ATOM 1132 O ASP A 70 4.431 -3.929 11.092 1.00 0.00 O ATOM 1133 CB ASP A 70 5.069 -1.998 13.691 1.00 0.00 C ATOM 1134 CG ASP A 70 6.014 -1.787 14.872 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.730 -2.749 15.222 1.00 0.00 O ATOM 1136 OD2 ASP A 70 6.008 -0.659 15.415 1.00 0.00 O ATOM 0 H ASP A 70 6.734 -0.641 12.465 1.00 0.00 H new ATOM 0 HA ASP A 70 6.280 -3.471 12.707 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.579 -1.056 13.446 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.286 -2.701 13.974 1.00 0.00 H new ATOM 1141 N ALA A 71 4.406 -1.735 10.599 1.00 0.00 N ATOM 1142 CA ALA A 71 3.468 -1.888 9.503 1.00 0.00 C ATOM 1143 C ALA A 71 4.039 -2.847 8.462 1.00 0.00 C ATOM 1144 O ALA A 71 3.365 -3.779 8.043 1.00 0.00 O ATOM 1145 CB ALA A 71 3.173 -0.524 8.870 1.00 0.00 C ATOM 0 H ALA A 71 4.713 -0.776 10.761 1.00 0.00 H new ATOM 0 HA ALA A 71 2.535 -2.302 9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.468 -0.649 8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.742 0.140 9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.099 -0.091 8.491 1.00 0.00 H new ATOM 1151 N MET A 72 5.285 -2.611 8.044 1.00 0.00 N ATOM 1152 CA MET A 72 5.948 -3.438 7.049 1.00 0.00 C ATOM 1153 C MET A 72 6.131 -4.866 7.556 1.00 0.00 C ATOM 1154 O MET A 72 5.941 -5.814 6.798 1.00 0.00 O ATOM 1155 CB MET A 72 7.300 -2.783 6.762 1.00 0.00 C ATOM 1156 CG MET A 72 8.245 -3.673 5.959 1.00 0.00 C ATOM 1157 SD MET A 72 9.660 -2.788 5.256 1.00 0.00 S ATOM 1158 CE MET A 72 10.129 -1.771 6.686 1.00 0.00 C ATOM 0 H MET A 72 5.857 -1.840 8.389 1.00 0.00 H new ATOM 0 HA MET A 72 5.348 -3.505 6.141 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.137 -1.853 6.217 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.776 -2.519 7.707 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.612 -4.472 6.603 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.686 -4.145 5.151 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.185 -1.511 6.617 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.531 -0.860 6.697 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.953 -2.331 7.604 1.00 0.00 H new ATOM 1168 N ASP A 73 6.498 -5.028 8.832 1.00 0.00 N ATOM 1169 CA ASP A 73 6.685 -6.339 9.429 1.00 0.00 C ATOM 1170 C ASP A 73 5.342 -7.032 9.679 1.00 0.00 C ATOM 1171 O ASP A 73 5.305 -8.172 10.138 1.00 0.00 O ATOM 1172 CB ASP A 73 7.475 -6.195 10.731 1.00 0.00 C ATOM 1173 CG ASP A 73 7.825 -7.553 11.331 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.555 -8.311 10.656 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.359 -7.822 12.460 1.00 0.00 O ATOM 0 H ASP A 73 6.671 -4.252 9.471 1.00 0.00 H new ATOM 0 HA ASP A 73 7.247 -6.965 8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.390 -5.634 10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.891 -5.619 11.449 1.00 0.00 H new ATOM 1180 N ALA A 74 4.231 -6.348 9.373 1.00 0.00 N ATOM 1181 CA ALA A 74 2.893 -6.883 9.570 1.00 0.00 C ATOM 1182 C ALA A 74 2.033 -6.729 8.315 1.00 0.00 C ATOM 1183 O ALA A 74 0.833 -7.007 8.356 1.00 0.00 O ATOM 1184 CB ALA A 74 2.267 -6.168 10.765 1.00 0.00 C ATOM 0 H ALA A 74 4.244 -5.406 8.981 1.00 0.00 H new ATOM 0 HA ALA A 74 2.953 -7.953 9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.261 -6.553 10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.875 -6.342 11.653 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.217 -5.098 10.564 1.00 0.00 H new ATOM 1190 N MET A 75 2.624 -6.294 7.195 1.00 0.00 N ATOM 1191 CA MET A 75 1.884 -6.090 5.959 1.00 0.00 C ATOM 1192 C MET A 75 2.571 -6.675 4.731 1.00 0.00 C ATOM 1193 O MET A 75 1.899 -6.883 3.727 1.00 0.00 O ATOM 1194 CB MET A 75 1.653 -4.601 5.722 1.00 0.00 C ATOM 1195 CG MET A 75 0.527 -4.062 6.597 1.00 0.00 C ATOM 1196 SD MET A 75 -1.082 -4.843 6.290 1.00 0.00 S ATOM 1197 CE MET A 75 -1.109 -4.749 4.483 1.00 0.00 C ATOM 0 H MET A 75 3.618 -6.078 7.127 1.00 0.00 H new ATOM 0 HA MET A 75 0.940 -6.618 6.090 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.571 -4.052 5.930 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.412 -4.432 4.673 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.794 -4.204 7.644 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.436 -2.988 6.434 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.110 -4.986 4.121 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.838 -3.742 4.167 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.396 -5.463 4.071 1.00 0.00 H new ATOM 1207 N ASP A 76 3.874 -6.952 4.761 1.00 0.00 N ATOM 1208 CA ASP A 76 4.510 -7.526 3.589 1.00 0.00 C ATOM 1209 C ASP A 76 3.913 -8.907 3.295 1.00 0.00 C ATOM 1210 O ASP A 76 3.897 -9.775 4.165 1.00 0.00 O ATOM 1211 CB ASP A 76 6.021 -7.606 3.803 1.00 0.00 C ATOM 1212 CG ASP A 76 6.727 -8.028 2.520 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.590 -7.280 1.523 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.396 -9.087 2.539 1.00 0.00 O ATOM 0 H ASP A 76 4.489 -6.793 5.559 1.00 0.00 H new ATOM 0 HA ASP A 76 4.326 -6.888 2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.399 -6.637 4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.243 -8.319 4.597 1.00 0.00 H new ATOM 1219 N GLY A 77 3.422 -9.107 2.067 1.00 0.00 N ATOM 1220 CA GLY A 77 2.800 -10.357 1.636 1.00 0.00 C ATOM 1221 C GLY A 77 1.572 -10.713 2.476 1.00 0.00 C ATOM 1222 O GLY A 77 1.297 -11.886 2.705 1.00 0.00 O ATOM 0 H GLY A 77 3.447 -8.394 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.510 -10.274 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.529 -11.165 1.701 1.00 0.00 H new ATOM 1226 N ALA A 78 0.842 -9.695 2.938 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.282 -9.869 3.847 1.00 0.00 C ATOM 1228 C ALA A 78 -1.625 -10.018 3.123 1.00 0.00 C ATOM 1229 O ALA A 78 -2.658 -10.097 3.780 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.321 -8.687 4.811 1.00 0.00 C ATOM 0 H ALA A 78 1.019 -8.722 2.687 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.130 -10.801 4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.159 -8.805 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.610 -8.648 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.441 -7.762 4.248 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.601 -10.057 1.783 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.780 -10.211 0.931 1.00 0.00 C ATOM 1238 C VAL A 79 -3.995 -9.464 1.487 1.00 0.00 C ATOM 1239 O VAL A 79 -4.941 -10.036 2.021 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.014 -11.684 0.537 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.617 -12.679 1.623 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -4.427 -11.950 0.045 1.00 0.00 C ATOM 0 H VAL A 79 -0.734 -9.980 1.251 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.588 -9.713 -0.019 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.339 -11.850 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.810 -13.694 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.556 -12.568 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.201 -12.487 2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.529 -13.003 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.139 -11.701 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.628 -11.337 -0.834 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.928 -8.142 1.343 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.970 -7.213 1.723 1.00 0.00 C ATOM 1254 C LEU A 80 -6.296 -7.509 1.019 1.00 0.00 C ATOM 1255 O LEU A 80 -7.351 -7.345 1.630 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.410 -5.834 1.362 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.337 -4.631 1.543 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.460 -3.398 1.370 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -6.405 -4.575 0.455 1.00 0.00 C ATOM 0 H LEU A 80 -3.112 -7.679 0.942 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.213 -7.285 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.517 -5.665 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.092 -5.861 0.320 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.831 -4.692 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.067 -2.500 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.671 -3.404 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.014 -3.406 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.044 -3.707 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.926 -4.496 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.009 -5.482 0.491 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.266 -7.941 -0.251 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.489 -8.118 -1.032 1.00 0.00 C ATOM 1273 C ASP A 81 -7.642 -9.547 -1.565 1.00 0.00 C ATOM 1274 O ASP A 81 -8.754 -10.069 -1.614 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.503 -7.108 -2.182 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.793 -7.227 -2.991 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.776 -6.550 -2.614 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -8.789 -7.993 -3.984 1.00 0.00 O ATOM 0 H ASP A 81 -5.409 -8.172 -0.753 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.339 -7.941 -0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.409 -6.097 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.644 -7.277 -2.831 1.00 0.00 H new ATOM 1283 N GLY A 82 -6.533 -10.178 -1.956 1.00 0.00 N ATOM 1284 CA GLY A 82 -6.539 -11.565 -2.413 1.00 0.00 C ATOM 1285 C GLY A 82 -5.443 -11.835 -3.434 1.00 0.00 C ATOM 1286 O GLY A 82 -5.636 -12.599 -4.378 1.00 0.00 O ATOM 0 H GLY A 82 -5.611 -9.743 -1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.409 -12.229 -1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.509 -11.797 -2.853 1.00 0.00 H new ATOM 1290 N ARG A 83 -4.290 -11.193 -3.230 1.00 0.00 N ATOM 1291 CA ARG A 83 -3.128 -11.307 -4.101 1.00 0.00 C ATOM 1292 C ARG A 83 -1.881 -11.481 -3.254 1.00 0.00 C ATOM 1293 O ARG A 83 -1.191 -12.486 -3.396 1.00 0.00 O ATOM 1294 CB ARG A 83 -3.042 -10.060 -5.000 1.00 0.00 C ATOM 1295 CG ARG A 83 -3.681 -8.835 -4.325 1.00 0.00 C ATOM 1296 CD ARG A 83 -3.377 -7.518 -5.018 1.00 0.00 C ATOM 1297 NE ARG A 83 -4.120 -6.446 -4.343 1.00 0.00 N ATOM 1298 CZ ARG A 83 -3.701 -5.835 -3.231 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -2.523 -6.120 -2.700 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -4.462 -4.927 -2.634 1.00 0.00 N ATOM 0 H ARG A 83 -4.140 -10.568 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.218 -12.180 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.998 -9.847 -5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.543 -10.258 -5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.761 -8.975 -4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.334 -8.779 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.307 -7.313 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.661 -7.570 -6.069 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.009 -6.150 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.920 -6.815 -3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.218 -5.645 -1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.375 -4.691 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.135 -4.465 -1.785 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.628 -10.495 -2.389 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.470 -10.299 -1.534 1.00 0.00 C ATOM 1316 C GLU A 84 -0.234 -8.798 -1.480 1.00 0.00 C ATOM 1317 O GLU A 84 -0.791 -8.054 -2.281 1.00 0.00 O ATOM 1318 CB GLU A 84 0.764 -11.042 -2.038 1.00 0.00 C ATOM 1319 CG GLU A 84 0.977 -12.287 -1.176 1.00 0.00 C ATOM 1320 CD GLU A 84 2.022 -13.227 -1.785 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.168 -12.760 -1.978 1.00 0.00 O ATOM 1322 OE2 GLU A 84 1.678 -14.397 -2.052 1.00 0.00 O ATOM 0 H GLU A 84 -2.303 -9.741 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.657 -10.710 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.634 -11.324 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.640 -10.395 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.295 -11.988 -0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.032 -12.818 -1.064 1.00 0.00 H new ATOM 1329 N LEU A 85 0.587 -8.340 -0.542 1.00 0.00 N ATOM 1330 CA LEU A 85 0.961 -6.945 -0.429 1.00 0.00 C ATOM 1331 C LEU A 85 2.483 -6.900 -0.471 1.00 0.00 C ATOM 1332 O LEU A 85 3.129 -7.940 -0.328 1.00 0.00 O ATOM 1333 CB LEU A 85 0.378 -6.420 0.889 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.193 -5.000 0.870 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.871 -3.948 0.637 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.261 -4.841 -0.207 1.00 0.00 C ATOM 0 H LEU A 85 1.013 -8.937 0.166 1.00 0.00 H new ATOM 0 HA LEU A 85 0.577 -6.316 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.412 -7.100 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.159 -6.463 1.648 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.630 -4.850 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.411 -2.960 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.614 -3.999 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.355 -4.127 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.644 -3.821 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.826 -5.051 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.077 -5.538 -0.016 1.00 0.00 H new ATOM 1348 N ARG A 86 3.070 -5.724 -0.666 1.00 0.00 N ATOM 1349 CA ARG A 86 4.517 -5.582 -0.692 1.00 0.00 C ATOM 1350 C ARG A 86 4.890 -4.312 0.041 1.00 0.00 C ATOM 1351 O ARG A 86 4.317 -3.258 -0.227 1.00 0.00 O ATOM 1352 CB ARG A 86 4.991 -5.509 -2.143 1.00 0.00 C ATOM 1353 CG ARG A 86 4.873 -6.840 -2.880 1.00 0.00 C ATOM 1354 CD ARG A 86 5.724 -7.901 -2.187 1.00 0.00 C ATOM 1355 NE ARG A 86 5.784 -9.138 -2.973 1.00 0.00 N ATOM 1356 CZ ARG A 86 5.067 -10.234 -2.700 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.225 -10.260 -1.670 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.182 -11.322 -3.451 1.00 0.00 N ATOM 0 H ARG A 86 2.560 -4.852 -0.809 1.00 0.00 H new ATOM 0 HA ARG A 86 4.991 -6.436 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.408 -4.755 -2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.030 -5.180 -2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.831 -7.159 -2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.196 -6.722 -3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.732 -7.517 -2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.310 -8.114 -1.201 1.00 0.00 H new ATOM 0 HE ARG A 86 6.411 -9.164 -3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.120 -9.437 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.685 -11.103 -1.474 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.822 -11.328 -4.245 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.631 -12.152 -3.234 1.00 0.00 H new ATOM 1372 N VAL A 87 5.849 -4.411 0.962 1.00 0.00 N ATOM 1373 CA VAL A 87 6.260 -3.262 1.742 1.00 0.00 C ATOM 1374 C VAL A 87 7.774 -3.235 1.885 1.00 0.00 C ATOM 1375 O VAL A 87 8.412 -4.267 2.106 1.00 0.00 O ATOM 1376 CB VAL A 87 5.581 -3.296 3.112 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.765 -1.924 3.745 1.00 0.00 C ATOM 1378 CG2 VAL A 87 4.099 -3.652 3.004 1.00 0.00 C ATOM 0 H VAL A 87 6.348 -5.273 1.179 1.00 0.00 H new ATOM 0 HA VAL A 87 5.954 -2.351 1.227 1.00 0.00 H new ATOM 0 HB VAL A 87 6.035 -4.071 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.292 -1.910 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.829 -1.712 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.306 -1.166 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.655 -3.665 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.590 -2.909 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.994 -4.636 2.546 1.00 0.00 H new ATOM 1388 N GLN A 88 8.341 -2.036 1.750 1.00 0.00 N ATOM 1389 CA GLN A 88 9.782 -1.820 1.745 1.00 0.00 C ATOM 1390 C GLN A 88 10.081 -0.329 1.879 1.00 0.00 C ATOM 1391 O GLN A 88 9.338 0.503 1.362 1.00 0.00 O ATOM 1392 CB GLN A 88 10.348 -2.335 0.418 1.00 0.00 C ATOM 1393 CG GLN A 88 9.541 -1.806 -0.773 1.00 0.00 C ATOM 1394 CD GLN A 88 10.086 -2.290 -2.114 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.216 -2.762 -2.209 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.280 -2.178 -3.165 1.00 0.00 N ATOM 0 H GLN A 88 7.802 -1.177 1.640 1.00 0.00 H new ATOM 0 HA GLN A 88 10.239 -2.351 2.580 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.389 -2.027 0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.336 -3.425 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.503 -2.121 -0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.546 -0.716 -0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.347 -1.781 -3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.594 -2.489 -4.084 1.00 0.00 H new ATOM 1405 N MET A 89 11.167 0.014 2.571 1.00 0.00 N ATOM 1406 CA MET A 89 11.613 1.389 2.729 1.00 0.00 C ATOM 1407 C MET A 89 11.664 2.084 1.369 1.00 0.00 C ATOM 1408 O MET A 89 12.203 1.545 0.405 1.00 0.00 O ATOM 1409 CB MET A 89 12.982 1.372 3.404 1.00 0.00 C ATOM 1410 CG MET A 89 12.795 0.974 4.866 1.00 0.00 C ATOM 1411 SD MET A 89 12.190 2.334 5.895 1.00 0.00 S ATOM 1412 CE MET A 89 11.584 1.390 7.304 1.00 0.00 C ATOM 0 H MET A 89 11.765 -0.666 3.041 1.00 0.00 H new ATOM 0 HA MET A 89 10.916 1.950 3.351 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.644 0.667 2.901 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.451 2.354 3.335 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.094 0.142 4.924 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.745 0.618 5.265 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.785 1.940 8.224 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.510 1.233 7.202 1.00 0.00 H new ATOM 0 HE3 MET A 89 12.090 0.425 7.340 1.00 0.00 H new ATOM 1422 N ALA A 90 11.104 3.293 1.293 1.00 0.00 N ATOM 1423 CA ALA A 90 11.020 4.067 0.063 1.00 0.00 C ATOM 1424 C ALA A 90 12.368 4.686 -0.310 1.00 0.00 C ATOM 1425 O ALA A 90 12.452 5.397 -1.301 1.00 0.00 O ATOM 1426 CB ALA A 90 9.952 5.154 0.223 1.00 0.00 C ATOM 0 H ALA A 90 10.692 3.764 2.098 1.00 0.00 H new ATOM 0 HA ALA A 90 10.741 3.396 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.885 5.737 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.988 4.689 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.222 5.811 1.050 1.00 0.00 H new