USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 638 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 68 HIS :FLIP no HD1:sc= -0.189 F(o=-2.9,f=-1.2) USER MOD Set 1.2: A 102 MET CE :methyl -170:sc= -1.01 (180deg=-1.35) USER MOD Set 2.1: A 85 SER OG : rot -57:sc= 1.14 USER MOD Set 2.2: A 91 ASN : amide:sc= 1.9 K(o=3,f=-11!) USER MOD Set 3.1: A 82 SER OG : rot -97:sc= 2.14 USER MOD Set 3.2: A 98 LYS NZ :NH3+ 150:sc= 0.949 (180deg=-0.772) USER MOD Set 4.1: A 49 HIS : no HD1:sc= 0.118 K(o=1.4,f=-4.9!) USER MOD Set 4.2: A 52 SER OG : rot 107:sc= 1.3 USER MOD Single : A 16 TYR OH : rot 91:sc= 0.0317 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= 1.19 (180deg=0.296) USER MOD Single : A 62 GLN : amide:sc= 0.488 K(o=0.49,f=-0.014) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -170:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.97! C(o=-2!,f=-4.5!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 24:sc= 1.26 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.399 F(o=-0.9,f=-0.4) USER MOD Single : A 95 CYS SG : rot 130:sc= -0.0441 USER MOD Single : A 97 GLN : amide:sc= 0.985 K(o=0.99,f=-3.8!) USER MOD Single : A 107 SER OG : rot 141:sc= 0.0484 USER MOD ----------------------------------------------------------------- ATOM 179 N TYR A 16 -6.038 5.898 -6.740 1.00 0.00 N ATOM 180 CA TYR A 16 -5.494 5.569 -8.047 1.00 0.00 C ATOM 181 C TYR A 16 -4.187 4.798 -7.875 1.00 0.00 C ATOM 182 O TYR A 16 -4.091 3.665 -8.352 1.00 0.00 O ATOM 183 CB TYR A 16 -5.400 6.821 -8.931 1.00 0.00 C ATOM 184 CG TYR A 16 -4.710 8.056 -8.375 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.434 9.012 -7.630 1.00 0.00 C ATOM 186 CD2 TYR A 16 -3.351 8.286 -8.653 1.00 0.00 C ATOM 187 CE1 TYR A 16 -4.826 10.211 -7.215 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.732 9.472 -8.230 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.475 10.462 -7.544 1.00 0.00 C ATOM 190 OH TYR A 16 -2.888 11.641 -7.218 1.00 0.00 O ATOM 0 HA TYR A 16 -6.167 4.903 -8.588 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.885 6.539 -9.849 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.415 7.106 -9.209 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.466 8.821 -7.376 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.781 7.546 -9.195 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.390 10.937 -6.647 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.682 9.630 -8.429 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.475 11.567 -6.332 1.00 0.00 H new ATOM 200 N ILE A 17 -3.241 5.344 -7.107 1.00 0.00 N ATOM 201 CA ILE A 17 -1.874 4.877 -6.899 1.00 0.00 C ATOM 202 C ILE A 17 -1.168 4.533 -8.224 1.00 0.00 C ATOM 203 O ILE A 17 -1.337 3.441 -8.779 1.00 0.00 O ATOM 204 CB ILE A 17 -1.755 3.733 -5.866 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.560 3.889 -4.557 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.260 3.584 -5.533 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.428 5.250 -3.887 1.00 0.00 C ATOM 0 H ILE A 17 -3.430 6.192 -6.573 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.346 5.723 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.196 2.853 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.613 3.705 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.238 3.121 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.128 2.784 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.293 3.343 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.115 4.519 -5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.027 5.267 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.383 5.433 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.780 6.026 -4.567 1.00 0.00 H new ATOM 219 N PRO A 18 -0.350 5.458 -8.740 1.00 0.00 N ATOM 220 CA PRO A 18 0.342 5.302 -10.006 1.00 0.00 C ATOM 221 C PRO A 18 1.529 4.358 -9.864 1.00 0.00 C ATOM 222 O PRO A 18 2.592 4.762 -9.398 1.00 0.00 O ATOM 223 CB PRO A 18 0.748 6.731 -10.392 1.00 0.00 C ATOM 224 CG PRO A 18 0.984 7.389 -9.027 1.00 0.00 C ATOM 225 CD PRO A 18 -0.021 6.731 -8.120 1.00 0.00 C ATOM 0 HA PRO A 18 -0.274 4.847 -10.782 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.646 6.745 -11.010 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.035 7.237 -10.956 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.003 7.225 -8.677 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.832 8.467 -9.073 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.392 6.583 -7.122 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.910 7.351 -8.008 1.00 0.00 H new ATOM 233 N LEU A 19 1.374 3.092 -10.272 1.00 0.00 N ATOM 234 CA LEU A 19 2.470 2.128 -10.275 1.00 0.00 C ATOM 235 C LEU A 19 3.668 2.673 -11.044 1.00 0.00 C ATOM 236 O LEU A 19 4.792 2.548 -10.571 1.00 0.00 O ATOM 237 CB LEU A 19 2.019 0.778 -10.865 1.00 0.00 C ATOM 238 CG LEU A 19 1.186 -0.065 -9.887 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.540 -1.270 -10.576 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.065 -0.590 -8.752 1.00 0.00 C ATOM 0 H LEU A 19 0.488 2.713 -10.607 1.00 0.00 H new ATOM 0 HA LEU A 19 2.771 1.962 -9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.434 0.961 -11.766 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.899 0.209 -11.166 1.00 0.00 H new ATOM 0 HG LEU A 19 0.404 0.589 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.039 -1.838 -9.848 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.118 -0.924 -11.373 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.317 -1.907 -10.998 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.460 -1.185 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.861 -1.210 -9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.502 0.250 -8.212 1.00 0.00 H new ATOM 252 N ASP A 20 3.444 3.349 -12.176 1.00 0.00 N ATOM 253 CA ASP A 20 4.524 3.819 -13.034 1.00 0.00 C ATOM 254 C ASP A 20 5.332 4.951 -12.403 1.00 0.00 C ATOM 255 O ASP A 20 6.401 5.307 -12.903 1.00 0.00 O ATOM 256 CB ASP A 20 3.986 4.232 -14.416 1.00 0.00 C ATOM 257 CG ASP A 20 4.675 3.401 -15.486 1.00 0.00 C ATOM 258 OD1 ASP A 20 5.836 3.711 -15.853 1.00 0.00 O ATOM 259 OD2 ASP A 20 4.109 2.364 -15.884 1.00 0.00 O ATOM 0 H ASP A 20 2.512 3.582 -12.517 1.00 0.00 H new ATOM 0 HA ASP A 20 5.209 2.981 -13.161 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.907 4.082 -14.460 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.168 5.293 -14.589 1.00 0.00 H new ATOM 264 N ARG A 21 4.847 5.569 -11.319 1.00 0.00 N ATOM 265 CA ARG A 21 5.620 6.514 -10.524 1.00 0.00 C ATOM 266 C ARG A 21 6.515 5.791 -9.522 1.00 0.00 C ATOM 267 O ARG A 21 7.571 6.322 -9.169 1.00 0.00 O ATOM 268 CB ARG A 21 4.633 7.417 -9.766 1.00 0.00 C ATOM 269 CG ARG A 21 3.962 8.477 -10.648 1.00 0.00 C ATOM 270 CD ARG A 21 4.885 9.622 -11.095 1.00 0.00 C ATOM 271 NE ARG A 21 5.430 10.398 -9.972 1.00 0.00 N ATOM 272 CZ ARG A 21 6.501 10.111 -9.229 1.00 0.00 C ATOM 273 NH1 ARG A 21 7.368 9.168 -9.596 1.00 0.00 N ATOM 274 NH2 ARG A 21 6.689 10.747 -8.091 1.00 0.00 N ATOM 0 H ARG A 21 3.899 5.422 -10.972 1.00 0.00 H new ATOM 0 HA ARG A 21 6.260 7.099 -11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.862 6.795 -9.311 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.161 7.915 -8.953 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.557 7.989 -11.534 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.118 8.901 -10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.709 9.210 -11.677 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.331 10.290 -11.755 1.00 0.00 H new ATOM 0 HE ARG A 21 4.932 11.255 -9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.220 8.648 -10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.179 8.966 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.019 11.452 -7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.505 10.534 -7.517 1.00 0.00 H new ATOM 288 N LEU A 22 6.074 4.651 -8.990 1.00 0.00 N ATOM 289 CA LEU A 22 6.747 4.028 -7.858 1.00 0.00 C ATOM 290 C LEU A 22 7.912 3.194 -8.372 1.00 0.00 C ATOM 291 O LEU A 22 8.105 3.007 -9.576 1.00 0.00 O ATOM 292 CB LEU A 22 5.797 3.186 -6.978 1.00 0.00 C ATOM 293 CG LEU A 22 4.407 3.789 -6.730 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.605 2.962 -5.725 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.428 5.239 -6.239 1.00 0.00 C ATOM 0 H LEU A 22 5.255 4.144 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 22 7.118 4.821 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.671 2.209 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.277 3.019 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 22 3.933 3.773 -7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.627 3.420 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.477 1.949 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.138 2.927 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.406 5.587 -6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.973 5.296 -5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.920 5.867 -6.981 1.00 0.00 H new ATOM 307 N SER A 23 8.663 2.655 -7.430 1.00 0.00 N ATOM 308 CA SER A 23 9.745 1.724 -7.631 1.00 0.00 C ATOM 309 C SER A 23 9.233 0.422 -7.040 1.00 0.00 C ATOM 310 O SER A 23 9.103 0.284 -5.827 1.00 0.00 O ATOM 311 CB SER A 23 11.012 2.294 -6.985 1.00 0.00 C ATOM 312 OG SER A 23 11.358 3.496 -7.657 1.00 0.00 O ATOM 0 H SER A 23 8.520 2.873 -6.444 1.00 0.00 H new ATOM 0 HA SER A 23 10.030 1.549 -8.668 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.843 2.487 -5.926 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.828 1.574 -7.052 1.00 0.00 H new ATOM 0 HG SER A 23 12.167 3.875 -7.254 1.00 0.00 H new ATOM 318 N ILE A 24 8.762 -0.468 -7.906 1.00 0.00 N ATOM 319 CA ILE A 24 8.253 -1.767 -7.514 1.00 0.00 C ATOM 320 C ILE A 24 9.446 -2.700 -7.607 1.00 0.00 C ATOM 321 O ILE A 24 10.223 -2.602 -8.562 1.00 0.00 O ATOM 322 CB ILE A 24 7.116 -2.215 -8.460 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.849 -1.344 -8.349 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.702 -3.654 -8.140 1.00 0.00 C ATOM 325 CD1 ILE A 24 5.923 -0.052 -9.151 1.00 0.00 C ATOM 0 H ILE A 24 8.725 -0.301 -8.912 1.00 0.00 H new ATOM 0 HA ILE A 24 7.826 -1.758 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 24 7.519 -2.119 -9.468 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.990 -1.923 -8.688 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.676 -1.101 -7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.900 -3.960 -8.812 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.558 -4.316 -8.271 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.353 -3.711 -7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.997 0.508 -9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.761 0.548 -8.797 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.064 -0.286 -10.206 1.00 0.00 H new ATOM 337 N SER A 25 9.540 -3.659 -6.690 1.00 0.00 N ATOM 338 CA SER A 25 10.509 -4.733 -6.833 1.00 0.00 C ATOM 339 C SER A 25 10.009 -6.017 -6.195 1.00 0.00 C ATOM 340 O SER A 25 9.760 -6.081 -4.991 1.00 0.00 O ATOM 341 CB SER A 25 11.873 -4.298 -6.295 1.00 0.00 C ATOM 342 OG SER A 25 12.837 -5.199 -6.792 1.00 0.00 O ATOM 0 H SER A 25 8.963 -3.712 -5.851 1.00 0.00 H new ATOM 0 HA SER A 25 10.636 -4.950 -7.894 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.102 -3.280 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.873 -4.301 -5.205 1.00 0.00 H new ATOM 0 HG SER A 25 13.724 -4.943 -6.464 1.00 0.00 H new ATOM 348 N TYR A 26 9.858 -7.061 -7.007 1.00 0.00 N ATOM 349 CA TYR A 26 9.490 -8.376 -6.503 1.00 0.00 C ATOM 350 C TYR A 26 10.721 -9.139 -6.012 1.00 0.00 C ATOM 351 O TYR A 26 11.848 -8.792 -6.370 1.00 0.00 O ATOM 352 CB TYR A 26 8.730 -9.162 -7.575 1.00 0.00 C ATOM 353 CG TYR A 26 7.711 -8.342 -8.337 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.761 -7.547 -7.663 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.800 -8.285 -9.739 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.927 -6.691 -8.383 1.00 0.00 C ATOM 357 CE2 TYR A 26 6.947 -7.444 -10.468 1.00 0.00 C ATOM 358 CZ TYR A 26 5.994 -6.649 -9.796 1.00 0.00 C ATOM 359 OH TYR A 26 5.172 -5.834 -10.514 1.00 0.00 O ATOM 0 H TYR A 26 9.986 -7.018 -8.018 1.00 0.00 H new ATOM 0 HA TYR A 26 8.827 -8.248 -5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.448 -9.578 -8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.223 -10.003 -7.102 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.679 -7.601 -6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.528 -8.892 -10.257 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.227 -6.057 -7.859 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.019 -7.405 -11.545 1.00 0.00 H new ATOM 0 HH TYR A 26 5.362 -5.938 -11.470 1.00 0.00 H new ATOM 369 N CYS A 27 10.527 -10.190 -5.208 1.00 0.00 N ATOM 370 CA CYS A 27 11.613 -11.014 -4.677 1.00 0.00 C ATOM 371 C CYS A 27 11.085 -12.359 -4.173 1.00 0.00 C ATOM 372 O CYS A 27 9.878 -12.598 -4.214 1.00 0.00 O ATOM 373 CB CYS A 27 12.287 -10.270 -3.514 1.00 0.00 C ATOM 374 SG CYS A 27 14.080 -10.563 -3.580 1.00 0.00 S ATOM 0 H CYS A 27 9.601 -10.494 -4.906 1.00 0.00 H new ATOM 0 HA CYS A 27 12.330 -11.200 -5.477 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.078 -9.202 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.884 -10.616 -2.562 1.00 0.00 H new ATOM 0 HG CYS A 27 14.659 -9.935 -2.600 1.00 0.00 H new ATOM 585 N LYS A 43 7.215 -11.750 -3.656 1.00 0.00 N ATOM 586 CA LYS A 43 7.196 -10.648 -2.719 1.00 0.00 C ATOM 587 C LYS A 43 6.895 -9.396 -3.511 1.00 0.00 C ATOM 588 O LYS A 43 7.175 -9.351 -4.708 1.00 0.00 O ATOM 589 CB LYS A 43 8.546 -10.503 -2.020 1.00 0.00 C ATOM 590 CG LYS A 43 8.382 -9.768 -0.678 1.00 0.00 C ATOM 591 CD LYS A 43 9.674 -9.119 -0.193 1.00 0.00 C ATOM 592 CE LYS A 43 9.897 -7.712 -0.737 1.00 0.00 C ATOM 593 NZ LYS A 43 11.213 -7.182 -0.309 1.00 0.00 N ATOM 0 HA LYS A 43 6.444 -10.822 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.982 -11.487 -1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.236 -9.954 -2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.613 -9.002 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.031 -10.473 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.664 -9.080 0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.516 -9.748 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.843 -7.726 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.103 -7.052 -0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.150 -6.151 -0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.485 -7.618 0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.928 -7.405 -1.030 1.00 0.00 H new ATOM 607 N ALA A 44 6.376 -8.370 -2.862 1.00 0.00 N ATOM 608 CA ALA A 44 6.186 -7.077 -3.471 1.00 0.00 C ATOM 609 C ALA A 44 6.803 -6.080 -2.520 1.00 0.00 C ATOM 610 O ALA A 44 6.325 -5.916 -1.399 1.00 0.00 O ATOM 611 CB ALA A 44 4.705 -6.838 -3.736 1.00 0.00 C ATOM 0 H ALA A 44 6.074 -8.417 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 44 6.665 -6.989 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.571 -5.859 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.326 -7.609 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.156 -6.875 -2.795 1.00 0.00 H new ATOM 617 N GLU A 45 7.917 -5.490 -2.926 1.00 0.00 N ATOM 618 CA GLU A 45 8.419 -4.267 -2.335 1.00 0.00 C ATOM 619 C GLU A 45 7.883 -3.137 -3.202 1.00 0.00 C ATOM 620 O GLU A 45 7.721 -3.305 -4.415 1.00 0.00 O ATOM 621 CB GLU A 45 9.951 -4.297 -2.299 1.00 0.00 C ATOM 622 CG GLU A 45 10.536 -3.190 -1.414 1.00 0.00 C ATOM 623 CD GLU A 45 11.908 -3.575 -0.848 1.00 0.00 C ATOM 624 OE1 GLU A 45 11.960 -4.580 -0.098 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.925 -2.897 -1.128 1.00 0.00 O ATOM 0 H GLU A 45 8.500 -5.852 -3.681 1.00 0.00 H new ATOM 0 HA GLU A 45 8.094 -4.136 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.284 -5.267 -1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.338 -4.191 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.627 -2.272 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.850 -2.981 -0.593 1.00 0.00 H new ATOM 632 N VAL A 46 7.595 -2.013 -2.564 1.00 0.00 N ATOM 633 CA VAL A 46 7.243 -0.762 -3.193 1.00 0.00 C ATOM 634 C VAL A 46 8.012 0.304 -2.430 1.00 0.00 C ATOM 635 O VAL A 46 7.846 0.464 -1.217 1.00 0.00 O ATOM 636 CB VAL A 46 5.721 -0.539 -3.189 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.353 0.860 -3.691 1.00 0.00 C ATOM 638 CG2 VAL A 46 5.031 -1.547 -4.112 1.00 0.00 C ATOM 0 H VAL A 46 7.602 -1.952 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 46 7.512 -0.739 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 46 5.391 -0.661 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.270 0.980 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.811 1.610 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.716 0.988 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.955 -1.376 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.405 -1.424 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.242 -2.559 -3.768 1.00 0.00 H new ATOM 648 N ARG A 47 8.859 1.014 -3.160 1.00 0.00 N ATOM 649 CA ARG A 47 9.581 2.185 -2.728 1.00 0.00 C ATOM 650 C ARG A 47 9.036 3.371 -3.510 1.00 0.00 C ATOM 651 O ARG A 47 8.662 3.220 -4.671 1.00 0.00 O ATOM 652 CB ARG A 47 11.077 1.943 -2.963 1.00 0.00 C ATOM 653 CG ARG A 47 11.931 3.200 -2.815 1.00 0.00 C ATOM 654 CD ARG A 47 13.410 2.846 -2.601 1.00 0.00 C ATOM 655 NE ARG A 47 13.985 2.103 -3.739 1.00 0.00 N ATOM 656 CZ ARG A 47 14.216 2.585 -4.967 1.00 0.00 C ATOM 657 NH1 ARG A 47 13.969 3.855 -5.270 1.00 0.00 N ATOM 658 NH2 ARG A 47 14.694 1.783 -5.910 1.00 0.00 N ATOM 0 H ARG A 47 9.068 0.767 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 47 9.453 2.394 -1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.430 1.190 -2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.217 1.534 -3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.828 3.819 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.570 3.791 -1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.980 3.762 -2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.510 2.249 -1.694 1.00 0.00 H new ATOM 0 HE ARG A 47 14.231 1.127 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.596 4.485 -4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.153 4.200 -6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.884 0.803 -5.698 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.871 2.146 -6.847 1.00 0.00 H new ATOM 672 N PHE A 48 8.973 4.547 -2.898 1.00 0.00 N ATOM 673 CA PHE A 48 8.935 5.808 -3.624 1.00 0.00 C ATOM 674 C PHE A 48 9.613 6.879 -2.773 1.00 0.00 C ATOM 675 O PHE A 48 9.452 6.881 -1.550 1.00 0.00 O ATOM 676 CB PHE A 48 7.485 6.172 -3.988 1.00 0.00 C ATOM 677 CG PHE A 48 6.475 6.107 -2.851 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.771 4.915 -2.580 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.229 7.248 -2.069 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.821 4.871 -1.541 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.289 7.202 -1.024 1.00 0.00 C ATOM 682 CZ PHE A 48 4.575 6.019 -0.770 1.00 0.00 C ATOM 0 H PHE A 48 8.947 4.652 -1.884 1.00 0.00 H new ATOM 0 HA PHE A 48 9.478 5.726 -4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.477 7.182 -4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.152 5.504 -4.782 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.961 4.032 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.764 8.164 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.283 3.957 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.116 8.077 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.837 5.992 0.018 1.00 0.00 H new ATOM 692 N HIS A 49 10.318 7.835 -3.387 1.00 0.00 N ATOM 693 CA HIS A 49 10.687 9.081 -2.723 1.00 0.00 C ATOM 694 C HIS A 49 9.415 9.843 -2.408 1.00 0.00 C ATOM 695 O HIS A 49 8.778 10.394 -3.303 1.00 0.00 O ATOM 696 CB HIS A 49 11.684 9.895 -3.557 1.00 0.00 C ATOM 697 CG HIS A 49 12.241 11.077 -2.802 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.361 12.356 -3.286 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.753 11.076 -1.530 1.00 0.00 C ATOM 700 CE1 HIS A 49 12.923 13.110 -2.334 1.00 0.00 C ATOM 701 NE2 HIS A 49 13.162 12.378 -1.231 1.00 0.00 N ATOM 0 H HIS A 49 10.645 7.764 -4.351 1.00 0.00 H new ATOM 0 HA HIS A 49 11.208 8.869 -1.790 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.504 9.249 -3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.192 10.247 -4.464 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.827 10.220 -0.875 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.153 14.160 -2.437 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.562 12.708 -0.352 1.00 0.00 H new ATOM 709 N LEU A 50 9.039 9.829 -1.130 1.00 0.00 N ATOM 710 CA LEU A 50 7.830 10.409 -0.581 1.00 0.00 C ATOM 711 C LEU A 50 7.773 11.902 -0.895 1.00 0.00 C ATOM 712 O LEU A 50 6.735 12.392 -1.333 1.00 0.00 O ATOM 713 CB LEU A 50 7.826 10.041 0.914 1.00 0.00 C ATOM 714 CG LEU A 50 6.934 10.836 1.870 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.473 12.247 2.108 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.471 10.808 1.431 1.00 0.00 C ATOM 0 H LEU A 50 9.611 9.383 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 50 6.915 10.019 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.542 8.992 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.851 10.122 1.276 1.00 0.00 H new ATOM 0 HG LEU A 50 6.963 10.342 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.811 12.779 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.471 12.187 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.521 12.783 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.869 11.383 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.381 11.244 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.117 9.777 1.409 1.00 0.00 H new ATOM 728 N ALA A 51 8.876 12.628 -0.708 1.00 0.00 N ATOM 729 CA ALA A 51 8.894 14.070 -0.925 1.00 0.00 C ATOM 730 C ALA A 51 8.691 14.418 -2.403 1.00 0.00 C ATOM 731 O ALA A 51 8.084 15.438 -2.739 1.00 0.00 O ATOM 732 CB ALA A 51 10.206 14.622 -0.380 1.00 0.00 C ATOM 0 H ALA A 51 9.769 12.238 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 51 8.063 14.534 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.238 15.701 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.277 14.405 0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.042 14.156 -0.902 1.00 0.00 H new ATOM 738 N SER A 52 9.118 13.539 -3.311 1.00 0.00 N ATOM 739 CA SER A 52 8.833 13.678 -4.728 1.00 0.00 C ATOM 740 C SER A 52 7.612 12.876 -5.166 1.00 0.00 C ATOM 741 O SER A 52 7.401 12.798 -6.369 1.00 0.00 O ATOM 742 CB SER A 52 10.075 13.338 -5.556 1.00 0.00 C ATOM 743 OG SER A 52 11.200 14.104 -5.156 1.00 0.00 O ATOM 0 H SER A 52 9.670 12.714 -3.079 1.00 0.00 H new ATOM 0 HA SER A 52 8.577 14.722 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.302 12.277 -5.452 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.869 13.518 -6.611 1.00 0.00 H new ATOM 0 HG SER A 52 11.827 13.533 -4.665 1.00 0.00 H new ATOM 749 N ALA A 53 6.816 12.280 -4.251 1.00 0.00 N ATOM 750 CA ALA A 53 5.677 11.452 -4.629 1.00 0.00 C ATOM 751 C ALA A 53 4.749 12.293 -5.491 1.00 0.00 C ATOM 752 O ALA A 53 4.578 11.997 -6.667 1.00 0.00 O ATOM 753 CB ALA A 53 4.950 10.879 -3.405 1.00 0.00 C ATOM 0 H ALA A 53 6.952 12.365 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 53 6.027 10.589 -5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.109 10.269 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.640 10.264 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.584 11.696 -2.783 1.00 0.00 H new ATOM 759 N ASP A 54 4.229 13.384 -4.926 1.00 0.00 N ATOM 760 CA ASP A 54 3.642 14.526 -5.635 1.00 0.00 C ATOM 761 C ASP A 54 2.199 14.278 -6.067 1.00 0.00 C ATOM 762 O ASP A 54 1.377 15.192 -6.028 1.00 0.00 O ATOM 763 CB ASP A 54 4.553 14.961 -6.799 1.00 0.00 C ATOM 764 CG ASP A 54 4.401 16.412 -7.229 1.00 0.00 C ATOM 765 OD1 ASP A 54 4.073 17.274 -6.383 1.00 0.00 O ATOM 766 OD2 ASP A 54 4.793 16.694 -8.389 1.00 0.00 O ATOM 0 H ASP A 54 4.204 13.502 -3.913 1.00 0.00 H new ATOM 0 HA ASP A 54 3.584 15.358 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.590 14.790 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.350 14.321 -7.657 1.00 0.00 H new ATOM 771 N TRP A 55 1.852 13.022 -6.351 1.00 0.00 N ATOM 772 CA TRP A 55 0.486 12.512 -6.300 1.00 0.00 C ATOM 773 C TRP A 55 0.000 12.334 -4.848 1.00 0.00 C ATOM 774 O TRP A 55 -1.197 12.152 -4.612 1.00 0.00 O ATOM 775 CB TRP A 55 0.433 11.182 -7.065 1.00 0.00 C ATOM 776 CG TRP A 55 1.403 10.128 -6.630 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.655 9.972 -7.104 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.245 9.123 -5.589 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.305 8.980 -6.396 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.488 8.444 -5.422 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.189 8.750 -4.735 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.682 7.488 -4.415 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.370 7.762 -3.752 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.617 7.146 -3.576 1.00 0.00 C ATOM 0 H TRP A 55 2.532 12.315 -6.630 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.184 13.234 -6.767 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.575 10.777 -6.977 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.603 11.388 -8.122 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.086 10.538 -7.916 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.265 8.682 -6.571 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.773 9.230 -4.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.647 7.019 -4.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.461 7.474 -3.125 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.754 6.411 -2.797 1.00 0.00 H new ATOM 795 N ILE A 56 0.911 12.378 -3.868 1.00 0.00 N ATOM 796 CA ILE A 56 0.560 12.547 -2.465 1.00 0.00 C ATOM 797 C ILE A 56 0.506 14.048 -2.228 1.00 0.00 C ATOM 798 O ILE A 56 1.408 14.790 -2.622 1.00 0.00 O ATOM 799 CB ILE A 56 1.562 11.846 -1.515 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.653 10.336 -1.802 1.00 0.00 C ATOM 801 CG2 ILE A 56 1.150 12.038 -0.041 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.662 9.594 -0.912 1.00 0.00 C ATOM 0 H ILE A 56 1.914 12.296 -4.033 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.399 12.077 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 56 2.535 12.305 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.668 9.890 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.928 10.190 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.869 11.536 0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.129 13.102 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.160 11.612 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.669 8.536 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.657 10.012 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.377 9.707 0.134 1.00 0.00 H new ATOM 814 N GLU A 57 -0.557 14.438 -1.540 1.00 0.00 N ATOM 815 CA GLU A 57 -0.851 15.765 -1.046 1.00 0.00 C ATOM 816 C GLU A 57 0.287 16.262 -0.181 1.00 0.00 C ATOM 817 O GLU A 57 0.781 15.523 0.665 1.00 0.00 O ATOM 818 CB GLU A 57 -2.120 15.706 -0.187 1.00 0.00 C ATOM 819 CG GLU A 57 -3.211 14.798 -0.709 1.00 0.00 C ATOM 820 CD GLU A 57 -4.550 15.041 -0.014 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.015 16.202 -0.016 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.152 14.056 0.484 1.00 0.00 O ATOM 0 H GLU A 57 -1.293 13.776 -1.296 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.988 16.438 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.846 15.378 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.523 16.714 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.328 14.953 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.914 13.759 -0.568 1.00 0.00 H new ATOM 829 N GLU A 58 0.616 17.540 -0.294 1.00 0.00 N ATOM 830 CA GLU A 58 1.493 18.256 0.616 1.00 0.00 C ATOM 831 C GLU A 58 1.289 17.877 2.086 1.00 0.00 C ATOM 832 O GLU A 58 2.264 17.481 2.743 1.00 0.00 O ATOM 833 CB GLU A 58 1.285 19.768 0.455 1.00 0.00 C ATOM 834 CG GLU A 58 2.578 20.470 0.070 1.00 0.00 C ATOM 835 CD GLU A 58 2.647 20.715 -1.436 1.00 0.00 C ATOM 836 OE1 GLU A 58 2.427 19.747 -2.188 1.00 0.00 O ATOM 837 OE2 GLU A 58 2.895 21.867 -1.868 1.00 0.00 O ATOM 0 H GLU A 58 0.266 18.127 -1.051 1.00 0.00 H new ATOM 0 HA GLU A 58 2.511 17.970 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.528 19.953 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.907 20.186 1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.650 21.420 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.430 19.866 0.382 1.00 0.00 H new ATOM 844 N PRO A 59 0.066 17.990 2.644 1.00 0.00 N ATOM 845 CA PRO A 59 -0.083 17.834 4.075 1.00 0.00 C ATOM 846 C PRO A 59 0.020 16.355 4.475 1.00 0.00 C ATOM 847 O PRO A 59 0.326 16.036 5.625 1.00 0.00 O ATOM 848 CB PRO A 59 -1.437 18.462 4.415 1.00 0.00 C ATOM 849 CG PRO A 59 -2.262 18.289 3.138 1.00 0.00 C ATOM 850 CD PRO A 59 -1.225 18.276 2.012 1.00 0.00 C ATOM 0 HA PRO A 59 0.710 18.328 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.906 17.963 5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.332 19.514 4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.837 17.363 3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.975 19.104 3.012 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.469 17.519 1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.201 19.235 1.495 1.00 0.00 H new ATOM 858 N VAL A 60 -0.186 15.442 3.525 1.00 0.00 N ATOM 859 CA VAL A 60 -0.108 14.008 3.714 1.00 0.00 C ATOM 860 C VAL A 60 1.351 13.562 3.563 1.00 0.00 C ATOM 861 O VAL A 60 1.806 12.746 4.365 1.00 0.00 O ATOM 862 CB VAL A 60 -1.077 13.348 2.715 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.075 11.826 2.787 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.520 13.798 2.990 1.00 0.00 C ATOM 0 H VAL A 60 -0.421 15.701 2.567 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.414 13.700 4.714 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.729 13.660 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.779 11.426 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.075 11.453 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.370 11.509 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.192 13.323 2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.804 13.510 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.589 14.881 2.888 1.00 0.00 H new ATOM 874 N ARG A 61 2.122 14.133 2.622 1.00 0.00 N ATOM 875 CA ARG A 61 3.536 13.813 2.415 1.00 0.00 C ATOM 876 C ARG A 61 4.266 13.930 3.745 1.00 0.00 C ATOM 877 O ARG A 61 4.872 12.969 4.223 1.00 0.00 O ATOM 878 CB ARG A 61 4.220 14.723 1.365 1.00 0.00 C ATOM 879 CG ARG A 61 3.910 14.426 -0.110 1.00 0.00 C ATOM 880 CD ARG A 61 4.819 15.221 -1.071 1.00 0.00 C ATOM 881 NE ARG A 61 4.170 16.401 -1.684 1.00 0.00 N ATOM 882 CZ ARG A 61 4.525 16.923 -2.868 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.644 16.554 -3.483 1.00 0.00 N ATOM 884 NH2 ARG A 61 3.777 17.822 -3.480 1.00 0.00 N ATOM 0 H ARG A 61 1.771 14.840 1.976 1.00 0.00 H new ATOM 0 HA ARG A 61 3.587 12.796 2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.936 15.755 1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.299 14.655 1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.032 13.359 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.867 14.668 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.705 15.549 -0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.160 14.556 -1.864 1.00 0.00 H new ATOM 0 HE ARG A 61 3.406 16.845 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.256 15.859 -3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.891 16.966 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.905 18.136 -3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.071 18.203 -4.380 1.00 0.00 H new ATOM 898 N GLN A 62 4.168 15.105 4.364 1.00 0.00 N ATOM 899 CA GLN A 62 4.843 15.378 5.615 1.00 0.00 C ATOM 900 C GLN A 62 4.260 14.529 6.758 1.00 0.00 C ATOM 901 O GLN A 62 4.992 14.246 7.695 1.00 0.00 O ATOM 902 CB GLN A 62 4.830 16.880 5.913 1.00 0.00 C ATOM 903 CG GLN A 62 3.440 17.365 6.317 1.00 0.00 C ATOM 904 CD GLN A 62 3.256 18.847 6.087 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.333 19.646 7.023 1.00 0.00 O ATOM 906 NE2 GLN A 62 3.040 19.282 4.851 1.00 0.00 N ATOM 0 H GLN A 62 3.619 15.887 4.008 1.00 0.00 H new ATOM 0 HA GLN A 62 5.889 15.084 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.538 17.098 6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.165 17.428 5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.688 16.816 5.750 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.272 17.140 7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.977 18.617 4.080 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.937 20.281 4.673 1.00 0.00 H new ATOM 915 N LYS A 63 2.998 14.073 6.705 1.00 0.00 N ATOM 916 CA LYS A 63 2.535 13.114 7.691 1.00 0.00 C ATOM 917 C LYS A 63 3.345 11.829 7.579 1.00 0.00 C ATOM 918 O LYS A 63 4.013 11.473 8.528 1.00 0.00 O ATOM 919 CB LYS A 63 1.040 12.838 7.548 1.00 0.00 C ATOM 920 CG LYS A 63 0.333 12.850 8.905 1.00 0.00 C ATOM 921 CD LYS A 63 -0.139 14.254 9.289 1.00 0.00 C ATOM 922 CE LYS A 63 -1.044 14.218 10.522 1.00 0.00 C ATOM 923 NZ LYS A 63 -1.502 15.575 10.885 1.00 0.00 N ATOM 0 H LYS A 63 2.307 14.349 6.008 1.00 0.00 H new ATOM 0 HA LYS A 63 2.685 13.540 8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.592 13.588 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.892 11.870 7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.522 12.175 8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.010 12.472 9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.725 14.889 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.677 14.700 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.906 13.580 10.326 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.505 13.776 11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.114 15.522 11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.679 16.175 11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.036 15.985 10.092 1.00 0.00 H new ATOM 937 N ILE A 64 3.355 11.137 6.438 1.00 0.00 N ATOM 938 CA ILE A 64 4.114 9.923 6.150 1.00 0.00 C ATOM 939 C ILE A 64 5.585 10.117 6.547 1.00 0.00 C ATOM 940 O ILE A 64 6.185 9.191 7.101 1.00 0.00 O ATOM 941 CB ILE A 64 3.870 9.522 4.672 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.533 8.771 4.448 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.956 8.590 4.139 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.339 9.694 4.263 1.00 0.00 C ATOM 0 H ILE A 64 2.795 11.432 5.638 1.00 0.00 H new ATOM 0 HA ILE A 64 3.775 9.079 6.751 1.00 0.00 H new ATOM 0 HB ILE A 64 3.863 10.477 4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.627 8.133 3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.347 8.116 5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.741 8.337 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.924 9.088 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.979 7.679 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.439 9.098 4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.218 10.315 5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.503 10.331 3.394 1.00 0.00 H new ATOM 956 N ALA A 65 6.148 11.310 6.335 1.00 0.00 N ATOM 957 CA ALA A 65 7.518 11.647 6.695 1.00 0.00 C ATOM 958 C ALA A 65 7.794 11.408 8.189 1.00 0.00 C ATOM 959 O ALA A 65 8.924 11.099 8.575 1.00 0.00 O ATOM 960 CB ALA A 65 7.789 13.104 6.299 1.00 0.00 C ATOM 0 H ALA A 65 5.647 12.083 5.897 1.00 0.00 H new ATOM 0 HA ALA A 65 8.199 10.991 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.813 13.369 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.650 13.221 5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.097 13.759 6.827 1.00 0.00 H new ATOM 966 N LEU A 66 6.773 11.618 9.022 1.00 0.00 N ATOM 967 CA LEU A 66 6.752 11.510 10.474 1.00 0.00 C ATOM 968 C LEU A 66 6.107 10.198 10.936 1.00 0.00 C ATOM 969 O LEU A 66 6.749 9.385 11.603 1.00 0.00 O ATOM 970 CB LEU A 66 6.012 12.734 11.044 1.00 0.00 C ATOM 971 CG LEU A 66 6.576 14.088 10.556 1.00 0.00 C ATOM 972 CD1 LEU A 66 5.613 15.218 10.917 1.00 0.00 C ATOM 973 CD2 LEU A 66 7.994 14.342 11.074 1.00 0.00 C ATOM 0 H LEU A 66 5.860 11.893 8.660 1.00 0.00 H new ATOM 0 HA LEU A 66 7.775 11.495 10.850 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.959 12.670 10.770 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.061 12.702 12.132 1.00 0.00 H new ATOM 0 HG LEU A 66 6.660 14.052 9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.019 16.168 10.569 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.649 15.040 10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.483 15.254 11.999 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.349 15.305 10.706 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.987 14.351 12.164 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.657 13.552 10.722 1.00 0.00 H new ATOM 985 N THR A 67 4.829 10.000 10.602 1.00 0.00 N ATOM 986 CA THR A 67 3.939 8.949 11.080 1.00 0.00 C ATOM 987 C THR A 67 4.424 7.579 10.623 1.00 0.00 C ATOM 988 O THR A 67 4.287 6.590 11.351 1.00 0.00 O ATOM 989 CB THR A 67 2.533 9.255 10.526 1.00 0.00 C ATOM 990 OG1 THR A 67 2.061 10.460 11.090 1.00 0.00 O ATOM 991 CG2 THR A 67 1.495 8.161 10.763 1.00 0.00 C ATOM 0 H THR A 67 4.359 10.618 9.941 1.00 0.00 H new ATOM 0 HA THR A 67 3.920 8.927 12.170 1.00 0.00 H new ATOM 0 HB THR A 67 2.654 9.328 9.445 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.114 10.577 10.867 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.539 8.468 10.338 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.824 7.238 10.286 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.379 7.995 11.834 1.00 0.00 H new ATOM 999 N HIS A 68 5.031 7.520 9.437 1.00 0.00 N ATOM 1000 CA HIS A 68 5.464 6.297 8.780 1.00 0.00 C ATOM 1001 C HIS A 68 6.987 6.316 8.652 1.00 0.00 C ATOM 1002 O HIS A 68 7.552 5.662 7.778 1.00 0.00 O ATOM 1003 CB HIS A 68 4.740 6.130 7.437 1.00 0.00 C ATOM 1004 CG HIS A 68 3.259 5.885 7.571 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.268 6.830 7.603 1.00 0.00 N flip ATOM 1006 CD2 HIS A 68 2.656 4.655 7.699 1.00 0.00 C flip ATOM 1007 CE1 HIS A 68 1.054 6.164 7.734 1.00 0.00 C flip ATOM 1008 NE2 HIS A 68 1.334 4.856 7.809 1.00 0.00 N flip ATOM 0 H HIS A 68 5.240 8.356 8.892 1.00 0.00 H new ATOM 0 HA HIS A 68 5.198 5.423 9.375 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.898 7.026 6.836 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.189 5.298 6.894 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.157 3.698 7.709 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.073 6.615 7.769 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.641 4.118 7.932 1.00 0.00 H new ATOM 1016 N LYS A 69 7.681 7.040 9.536 1.00 0.00 N ATOM 1017 CA LYS A 69 9.134 7.073 9.565 1.00 0.00 C ATOM 1018 C LYS A 69 9.725 5.677 9.734 1.00 0.00 C ATOM 1019 O LYS A 69 10.766 5.410 9.139 1.00 0.00 O ATOM 1020 CB LYS A 69 9.581 8.046 10.656 1.00 0.00 C ATOM 1021 CG LYS A 69 11.074 7.907 10.980 1.00 0.00 C ATOM 1022 CD LYS A 69 11.576 9.086 11.810 1.00 0.00 C ATOM 1023 CE LYS A 69 12.086 10.199 10.882 1.00 0.00 C ATOM 1024 NZ LYS A 69 13.550 10.367 10.977 1.00 0.00 N ATOM 0 H LYS A 69 7.242 7.620 10.252 1.00 0.00 H new ATOM 0 HA LYS A 69 9.514 7.431 8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.374 9.067 10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.997 7.870 11.559 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.245 6.978 11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.645 7.843 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.773 9.466 12.441 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.376 8.760 12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.813 9.967 9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.595 11.138 11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.855 11.127 10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.808 10.614 11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.020 9.479 10.708 1.00 0.00 H new ATOM 1038 N ASN A 70 9.082 4.755 10.460 1.00 0.00 N ATOM 1039 CA ASN A 70 9.530 3.365 10.527 1.00 0.00 C ATOM 1040 C ASN A 70 9.616 2.700 9.141 1.00 0.00 C ATOM 1041 O ASN A 70 10.346 1.730 8.942 1.00 0.00 O ATOM 1042 CB ASN A 70 8.564 2.567 11.412 1.00 0.00 C ATOM 1043 CG ASN A 70 9.122 1.190 11.714 1.00 0.00 C ATOM 1044 OD1 ASN A 70 8.747 0.193 11.100 1.00 0.00 O ATOM 1045 ND2 ASN A 70 10.043 1.111 12.654 1.00 0.00 N ATOM 0 H ASN A 70 8.246 4.951 11.011 1.00 0.00 H new ATOM 0 HA ASN A 70 10.535 3.367 10.948 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.388 3.105 12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.600 2.472 10.912 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.460 0.209 12.885 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.339 1.952 13.150 1.00 0.00 H new ATOM 1052 N LYS A 71 8.856 3.215 8.170 1.00 0.00 N ATOM 1053 CA LYS A 71 8.784 2.728 6.801 1.00 0.00 C ATOM 1054 C LYS A 71 9.678 3.523 5.858 1.00 0.00 C ATOM 1055 O LYS A 71 9.792 3.165 4.694 1.00 0.00 O ATOM 1056 CB LYS A 71 7.331 2.779 6.279 1.00 0.00 C ATOM 1057 CG LYS A 71 6.198 2.581 7.297 1.00 0.00 C ATOM 1058 CD LYS A 71 6.132 1.171 7.871 1.00 0.00 C ATOM 1059 CE LYS A 71 5.460 0.228 6.871 1.00 0.00 C ATOM 1060 NZ LYS A 71 5.307 -1.103 7.480 1.00 0.00 N ATOM 0 H LYS A 71 8.249 4.019 8.330 1.00 0.00 H new ATOM 0 HA LYS A 71 9.137 1.697 6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.182 3.745 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.225 2.017 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.327 3.291 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.247 2.814 6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.137 0.815 8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.575 1.177 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.486 0.622 6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.058 0.158 5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.850 -1.745 6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.243 -1.478 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.719 -1.028 8.335 1.00 0.00 H new ATOM 1074 N ILE A 72 10.279 4.623 6.293 1.00 0.00 N ATOM 1075 CA ILE A 72 11.268 5.321 5.488 1.00 0.00 C ATOM 1076 C ILE A 72 12.590 4.614 5.730 1.00 0.00 C ATOM 1077 O ILE A 72 12.892 4.259 6.868 1.00 0.00 O ATOM 1078 CB ILE A 72 11.281 6.807 5.877 1.00 0.00 C ATOM 1079 CG1 ILE A 72 9.958 7.419 5.370 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.500 7.555 5.307 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.783 8.908 5.631 1.00 0.00 C ATOM 0 H ILE A 72 10.097 5.050 7.201 1.00 0.00 H new ATOM 0 HA ILE A 72 11.049 5.297 4.421 1.00 0.00 H new ATOM 0 HB ILE A 72 11.365 6.904 6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.885 7.245 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.129 6.886 5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.460 8.601 5.612 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.415 7.101 5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.488 7.493 4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.822 9.236 5.235 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.817 9.096 6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.585 9.460 5.141 1.00 0.00 H new ATOM 1093 N ASN A 73 13.394 4.448 4.680 1.00 0.00 N ATOM 1094 CA ASN A 73 14.730 3.871 4.843 1.00 0.00 C ATOM 1095 C ASN A 73 15.596 4.830 5.681 1.00 0.00 C ATOM 1096 O ASN A 73 15.829 4.616 6.872 1.00 0.00 O ATOM 1097 CB ASN A 73 15.348 3.459 3.487 1.00 0.00 C ATOM 1098 CG ASN A 73 15.787 4.595 2.572 1.00 0.00 C ATOM 1099 OD1 ASN A 73 16.948 4.983 2.543 1.00 0.00 O ATOM 1100 ND2 ASN A 73 14.875 5.272 1.908 1.00 0.00 N ATOM 0 H ASN A 73 13.150 4.700 3.722 1.00 0.00 H new ATOM 0 HA ASN A 73 14.668 2.935 5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.212 2.825 3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.621 2.849 2.951 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.140 6.104 1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.902 4.965 1.920 1.00 0.00 H new ATOM 1107 N LYS A 74 16.013 5.936 5.073 1.00 0.00 N ATOM 1108 CA LYS A 74 16.838 7.011 5.599 1.00 0.00 C ATOM 1109 C LYS A 74 16.637 8.205 4.678 1.00 0.00 C ATOM 1110 O LYS A 74 16.321 9.289 5.160 1.00 0.00 O ATOM 1111 CB LYS A 74 18.318 6.569 5.653 1.00 0.00 C ATOM 1112 CG LYS A 74 19.331 7.724 5.754 1.00 0.00 C ATOM 1113 CD LYS A 74 19.164 8.620 6.994 1.00 0.00 C ATOM 1114 CE LYS A 74 20.094 8.172 8.120 1.00 0.00 C ATOM 1115 NZ LYS A 74 19.965 9.024 9.317 1.00 0.00 N ATOM 0 H LYS A 74 15.754 6.117 4.103 1.00 0.00 H new ATOM 0 HA LYS A 74 16.556 7.274 6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.455 5.908 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.541 5.985 4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.338 7.307 5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.245 8.343 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.378 9.656 6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.130 8.585 7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.870 7.139 8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.126 8.195 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.613 8.685 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.203 10.006 9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.987 8.983 9.669 1.00 0.00 H new ATOM 1129 N ALA A 75 16.748 7.985 3.361 1.00 0.00 N ATOM 1130 CA ALA A 75 16.795 9.049 2.365 1.00 0.00 C ATOM 1131 C ALA A 75 15.489 9.839 2.252 1.00 0.00 C ATOM 1132 O ALA A 75 15.456 10.877 1.595 1.00 0.00 O ATOM 1133 CB ALA A 75 17.148 8.443 1.004 1.00 0.00 C ATOM 0 H ALA A 75 16.808 7.050 2.959 1.00 0.00 H new ATOM 0 HA ALA A 75 17.557 9.758 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.185 9.232 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 75 18.120 7.954 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.390 7.711 0.724 1.00 0.00 H new ATOM 1139 N GLY A 76 14.396 9.358 2.852 1.00 0.00 N ATOM 1140 CA GLY A 76 13.066 9.892 2.614 1.00 0.00 C ATOM 1141 C GLY A 76 12.321 9.095 1.546 1.00 0.00 C ATOM 1142 O GLY A 76 11.195 9.452 1.202 1.00 0.00 O ATOM 0 H GLY A 76 14.417 8.585 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.496 9.877 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.142 10.934 2.304 1.00 0.00 H new ATOM 1146 N GLU A 77 12.907 8.017 1.010 1.00 0.00 N ATOM 1147 CA GLU A 77 12.131 7.046 0.254 1.00 0.00 C ATOM 1148 C GLU A 77 11.409 6.154 1.259 1.00 0.00 C ATOM 1149 O GLU A 77 12.032 5.606 2.180 1.00 0.00 O ATOM 1150 CB GLU A 77 12.957 6.280 -0.792 1.00 0.00 C ATOM 1151 CG GLU A 77 13.724 7.236 -1.730 1.00 0.00 C ATOM 1152 CD GLU A 77 13.971 6.739 -3.164 1.00 0.00 C ATOM 1153 OE1 GLU A 77 13.107 6.071 -3.766 1.00 0.00 O ATOM 1154 OE2 GLU A 77 15.013 7.127 -3.750 1.00 0.00 O ATOM 0 H GLU A 77 13.901 7.803 1.088 1.00 0.00 H new ATOM 0 HA GLU A 77 11.393 7.560 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.664 5.623 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.297 5.644 -1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.173 8.175 -1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.689 7.459 -1.275 1.00 0.00 H new ATOM 1161 N LEU A 78 10.086 6.096 1.123 1.00 0.00 N ATOM 1162 CA LEU A 78 9.207 5.208 1.860 1.00 0.00 C ATOM 1163 C LEU A 78 9.351 3.867 1.179 1.00 0.00 C ATOM 1164 O LEU A 78 9.153 3.810 -0.032 1.00 0.00 O ATOM 1165 CB LEU A 78 7.749 5.691 1.749 1.00 0.00 C ATOM 1166 CG LEU A 78 6.830 5.055 2.814 1.00 0.00 C ATOM 1167 CD1 LEU A 78 7.075 5.764 4.146 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.359 5.239 2.436 1.00 0.00 C ATOM 0 H LEU A 78 9.582 6.694 0.468 1.00 0.00 H new ATOM 0 HA LEU A 78 9.459 5.169 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.721 6.776 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.366 5.454 0.756 1.00 0.00 H new ATOM 0 HG LEU A 78 7.050 3.990 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.434 5.329 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.119 5.645 4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.846 6.825 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.728 4.784 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.132 6.303 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.168 4.762 1.475 1.00 0.00 H new ATOM 1180 N VAL A 79 9.736 2.835 1.916 1.00 0.00 N ATOM 1181 CA VAL A 79 9.853 1.481 1.421 1.00 0.00 C ATOM 1182 C VAL A 79 9.024 0.613 2.354 1.00 0.00 C ATOM 1183 O VAL A 79 9.308 0.523 3.552 1.00 0.00 O ATOM 1184 CB VAL A 79 11.333 1.049 1.299 1.00 0.00 C ATOM 1185 CG1 VAL A 79 11.427 -0.220 0.440 1.00 0.00 C ATOM 1186 CG2 VAL A 79 12.230 2.158 0.738 1.00 0.00 C ATOM 0 H VAL A 79 9.981 2.925 2.902 1.00 0.00 H new ATOM 0 HA VAL A 79 9.470 1.382 0.405 1.00 0.00 H new ATOM 0 HB VAL A 79 11.701 0.840 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.470 -0.525 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.853 -1.020 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.025 -0.018 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.257 1.798 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.882 2.439 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.190 3.026 1.396 1.00 0.00 H new ATOM 1196 N LEU A 80 7.963 -0.002 1.840 1.00 0.00 N ATOM 1197 CA LEU A 80 7.269 -1.081 2.524 1.00 0.00 C ATOM 1198 C LEU A 80 7.244 -2.290 1.605 1.00 0.00 C ATOM 1199 O LEU A 80 7.513 -2.195 0.404 1.00 0.00 O ATOM 1200 CB LEU A 80 5.878 -0.656 3.055 1.00 0.00 C ATOM 1201 CG LEU A 80 4.704 -0.595 2.057 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.552 0.164 2.718 1.00 0.00 C ATOM 1203 CD2 LEU A 80 5.009 0.165 0.771 1.00 0.00 C ATOM 0 H LEU A 80 7.561 0.237 0.934 1.00 0.00 H new ATOM 0 HA LEU A 80 7.810 -1.354 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.601 -1.345 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.982 0.330 3.508 1.00 0.00 H new ATOM 0 HG LEU A 80 4.478 -1.630 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.710 0.219 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.245 -0.358 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.879 1.172 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.129 0.159 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.275 1.194 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.841 -0.314 0.254 1.00 0.00 H new ATOM 1215 N THR A 81 6.912 -3.437 2.175 1.00 0.00 N ATOM 1216 CA THR A 81 6.648 -4.635 1.416 1.00 0.00 C ATOM 1217 C THR A 81 5.270 -5.125 1.853 1.00 0.00 C ATOM 1218 O THR A 81 4.788 -4.746 2.930 1.00 0.00 O ATOM 1219 CB THR A 81 7.800 -5.655 1.578 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.672 -6.435 2.746 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.200 -5.050 1.672 1.00 0.00 C ATOM 0 H THR A 81 6.819 -3.557 3.184 1.00 0.00 H new ATOM 0 HA THR A 81 6.619 -4.459 0.341 1.00 0.00 H new ATOM 0 HB THR A 81 7.706 -6.240 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.421 -7.064 2.803 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.934 -5.848 1.784 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.414 -4.484 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.252 -4.386 2.535 1.00 0.00 H new ATOM 1229 N SER A 82 4.613 -5.941 1.037 1.00 0.00 N ATOM 1230 CA SER A 82 3.512 -6.765 1.484 1.00 0.00 C ATOM 1231 C SER A 82 3.602 -8.112 0.757 1.00 0.00 C ATOM 1232 O SER A 82 4.277 -8.234 -0.271 1.00 0.00 O ATOM 1233 CB SER A 82 2.183 -6.008 1.338 1.00 0.00 C ATOM 1234 OG SER A 82 1.444 -6.151 2.541 1.00 0.00 O ATOM 0 H SER A 82 4.834 -6.045 0.047 1.00 0.00 H new ATOM 0 HA SER A 82 3.566 -6.988 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.369 -4.954 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.614 -6.402 0.496 1.00 0.00 H new ATOM 0 HG SER A 82 0.799 -6.882 2.444 1.00 0.00 H new ATOM 1240 N GLU A 83 2.979 -9.140 1.328 1.00 0.00 N ATOM 1241 CA GLU A 83 3.038 -10.531 0.887 1.00 0.00 C ATOM 1242 C GLU A 83 1.857 -11.240 1.541 1.00 0.00 C ATOM 1243 O GLU A 83 1.526 -10.893 2.677 1.00 0.00 O ATOM 1244 CB GLU A 83 4.380 -11.159 1.330 1.00 0.00 C ATOM 1245 CG GLU A 83 5.257 -11.502 0.138 1.00 0.00 C ATOM 1246 CD GLU A 83 4.795 -12.758 -0.624 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.694 -13.282 -0.324 1.00 0.00 O ATOM 1248 OE2 GLU A 83 5.577 -13.246 -1.464 1.00 0.00 O ATOM 0 H GLU A 83 2.390 -9.019 2.152 1.00 0.00 H new ATOM 0 HA GLU A 83 2.982 -10.618 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.909 -10.465 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.186 -12.060 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.271 -10.655 -0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.281 -11.651 0.481 1.00 0.00 H new ATOM 1255 N SER A 84 1.229 -12.192 0.844 1.00 0.00 N ATOM 1256 CA SER A 84 0.131 -13.039 1.317 1.00 0.00 C ATOM 1257 C SER A 84 -0.260 -14.085 0.265 1.00 0.00 C ATOM 1258 O SER A 84 -0.425 -15.259 0.607 1.00 0.00 O ATOM 1259 CB SER A 84 -1.116 -12.221 1.687 1.00 0.00 C ATOM 1260 OG SER A 84 -0.961 -11.594 2.943 1.00 0.00 O ATOM 0 H SER A 84 1.488 -12.404 -0.120 1.00 0.00 H new ATOM 0 HA SER A 84 0.501 -13.539 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.300 -11.467 0.921 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.989 -12.873 1.708 1.00 0.00 H new ATOM 0 HG SER A 84 -0.007 -11.483 3.138 1.00 0.00 H new ATOM 1266 N SER A 85 -0.434 -13.704 -1.003 1.00 0.00 N ATOM 1267 CA SER A 85 -0.832 -14.611 -2.069 1.00 0.00 C ATOM 1268 C SER A 85 0.410 -15.243 -2.704 1.00 0.00 C ATOM 1269 O SER A 85 1.514 -15.145 -2.162 1.00 0.00 O ATOM 1270 CB SER A 85 -1.692 -13.830 -3.072 1.00 0.00 C ATOM 1271 OG SER A 85 -0.924 -12.947 -3.858 1.00 0.00 O ATOM 0 H SER A 85 -0.299 -12.743 -1.317 1.00 0.00 H new ATOM 0 HA SER A 85 -1.433 -15.435 -1.685 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.215 -14.531 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.453 -13.266 -2.533 1.00 0.00 H new ATOM 0 HG SER A 85 -0.440 -12.326 -3.274 1.00 0.00 H new ATOM 1277 N ARG A 86 0.236 -15.879 -3.865 1.00 0.00 N ATOM 1278 CA ARG A 86 1.333 -16.210 -4.774 1.00 0.00 C ATOM 1279 C ARG A 86 1.400 -15.290 -5.991 1.00 0.00 C ATOM 1280 O ARG A 86 2.333 -15.437 -6.781 1.00 0.00 O ATOM 1281 CB ARG A 86 1.223 -17.684 -5.193 1.00 0.00 C ATOM 1282 CG ARG A 86 -0.042 -17.973 -6.029 1.00 0.00 C ATOM 1283 CD ARG A 86 0.244 -18.539 -7.429 1.00 0.00 C ATOM 1284 NE ARG A 86 0.078 -20.002 -7.501 1.00 0.00 N ATOM 1285 CZ ARG A 86 -1.090 -20.661 -7.528 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -2.236 -20.012 -7.328 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -1.108 -21.967 -7.761 1.00 0.00 N ATOM 0 H ARG A 86 -0.678 -16.181 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 86 2.268 -16.053 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.106 -17.960 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.216 -18.311 -4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.670 -18.679 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.614 -17.051 -6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.424 -18.067 -8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.262 -18.279 -7.720 1.00 0.00 H new ATOM 0 HE ARG A 86 0.928 -20.564 -7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.229 -19.007 -7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.120 -20.520 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.234 -22.469 -7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.996 -22.469 -7.782 1.00 0.00 H new ATOM 1301 N TYR A 87 0.434 -14.398 -6.204 1.00 0.00 N ATOM 1302 CA TYR A 87 0.417 -13.576 -7.405 1.00 0.00 C ATOM 1303 C TYR A 87 1.190 -12.284 -7.191 1.00 0.00 C ATOM 1304 O TYR A 87 1.152 -11.698 -6.110 1.00 0.00 O ATOM 1305 CB TYR A 87 -1.014 -13.202 -7.735 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.981 -14.351 -7.710 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.877 -15.404 -8.638 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.952 -14.382 -6.697 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -2.755 -16.497 -8.551 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.826 -15.464 -6.607 1.00 0.00 C ATOM 1311 CZ TYR A 87 -3.731 -16.526 -7.531 1.00 0.00 C ATOM 1312 OH TYR A 87 -4.533 -17.605 -7.373 1.00 0.00 O ATOM 0 H TYR A 87 -0.341 -14.229 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 87 0.874 -14.149 -8.212 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.351 -12.445 -7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.038 -12.745 -8.724 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.126 -15.372 -9.413 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.022 -13.569 -5.989 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.684 -17.309 -9.259 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.576 -15.489 -5.830 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.144 -17.451 -6.622 1.00 0.00 H new ATOM 1322 N GLN A 88 1.807 -11.796 -8.264 1.00 0.00 N ATOM 1323 CA GLN A 88 2.639 -10.608 -8.224 1.00 0.00 C ATOM 1324 C GLN A 88 1.771 -9.364 -8.004 1.00 0.00 C ATOM 1325 O GLN A 88 1.806 -8.782 -6.921 1.00 0.00 O ATOM 1326 CB GLN A 88 3.538 -10.527 -9.475 1.00 0.00 C ATOM 1327 CG GLN A 88 4.437 -11.765 -9.681 1.00 0.00 C ATOM 1328 CD GLN A 88 3.761 -12.880 -10.489 1.00 0.00 C ATOM 1329 OE1 GLN A 88 3.188 -13.888 -9.846 1.00 0.00 O flip ATOM 1330 NE2 GLN A 88 3.765 -12.853 -11.716 1.00 0.00 N flip ATOM 0 H GLN A 88 1.740 -12.220 -9.189 1.00 0.00 H new ATOM 0 HA GLN A 88 3.320 -10.663 -7.375 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.908 -10.397 -10.355 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.168 -9.641 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.351 -11.460 -10.190 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.730 -12.158 -8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.207 -12.076 -12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.327 -13.607 -12.244 1.00 0.00 H new ATOM 1339 N PHE A 89 0.936 -8.994 -8.984 1.00 0.00 N ATOM 1340 CA PHE A 89 0.039 -7.842 -8.888 1.00 0.00 C ATOM 1341 C PHE A 89 -0.848 -7.911 -7.631 1.00 0.00 C ATOM 1342 O PHE A 89 -1.098 -6.866 -7.040 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.756 -7.640 -10.195 1.00 0.00 C ATOM 1344 CG PHE A 89 -2.106 -6.951 -10.043 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -2.200 -5.647 -9.510 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -3.285 -7.638 -10.395 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -3.467 -5.093 -9.243 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.545 -7.077 -10.132 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.637 -5.815 -9.531 1.00 0.00 C ATOM 0 H PHE A 89 0.866 -9.492 -9.871 1.00 0.00 H new ATOM 0 HA PHE A 89 0.649 -6.947 -8.765 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.146 -7.056 -10.884 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.915 -8.614 -10.657 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.305 -5.077 -9.308 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.219 -8.605 -10.871 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.540 -4.105 -8.813 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.443 -7.618 -10.393 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.604 -5.399 -9.290 1.00 0.00 H new ATOM 1359 N ARG A 90 -1.300 -9.084 -7.165 1.00 0.00 N ATOM 1360 CA ARG A 90 -2.084 -9.175 -5.922 1.00 0.00 C ATOM 1361 C ARG A 90 -1.254 -8.745 -4.714 1.00 0.00 C ATOM 1362 O ARG A 90 -1.728 -7.921 -3.932 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.599 -10.600 -5.692 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.654 -10.724 -4.576 1.00 0.00 C ATOM 1365 CD ARG A 90 -5.084 -10.592 -5.115 1.00 0.00 C ATOM 1366 NE ARG A 90 -5.889 -9.579 -4.417 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.561 -9.752 -3.269 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.284 -10.738 -2.420 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -7.560 -8.944 -2.954 1.00 0.00 N ATOM 0 H ARG A 90 -1.138 -9.979 -7.626 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.934 -8.501 -6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.027 -10.973 -6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.754 -11.244 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.542 -11.687 -4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.478 -9.954 -3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.041 -10.342 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.583 -11.558 -5.035 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.942 -8.656 -4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.536 -11.398 -2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.820 -10.834 -1.557 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.822 -8.186 -3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.069 -9.079 -2.080 1.00 0.00 H new ATOM 1383 N ASN A 91 -0.053 -9.297 -4.521 1.00 0.00 N ATOM 1384 CA ASN A 91 0.784 -8.942 -3.372 1.00 0.00 C ATOM 1385 C ASN A 91 1.143 -7.460 -3.444 1.00 0.00 C ATOM 1386 O ASN A 91 1.024 -6.729 -2.462 1.00 0.00 O ATOM 1387 CB ASN A 91 2.034 -9.842 -3.307 1.00 0.00 C ATOM 1388 CG ASN A 91 1.710 -11.231 -2.763 1.00 0.00 C ATOM 1389 OD1 ASN A 91 0.632 -11.460 -2.222 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.609 -12.186 -2.879 1.00 0.00 N ATOM 0 H ASN A 91 0.361 -9.990 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 91 0.229 -9.111 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.466 -9.934 -4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.787 -9.372 -2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.411 -13.119 -2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.504 -11.992 -3.329 1.00 0.00 H new ATOM 1397 N LEU A 92 1.494 -7.000 -4.644 1.00 0.00 N ATOM 1398 CA LEU A 92 1.722 -5.603 -4.973 1.00 0.00 C ATOM 1399 C LEU A 92 0.492 -4.740 -4.657 1.00 0.00 C ATOM 1400 O LEU A 92 0.644 -3.614 -4.186 1.00 0.00 O ATOM 1401 CB LEU A 92 2.135 -5.559 -6.453 1.00 0.00 C ATOM 1402 CG LEU A 92 2.298 -4.159 -7.057 1.00 0.00 C ATOM 1403 CD1 LEU A 92 3.439 -3.420 -6.363 1.00 0.00 C ATOM 1404 CD2 LEU A 92 2.573 -4.300 -8.558 1.00 0.00 C ATOM 0 H LEU A 92 1.632 -7.620 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 92 2.517 -5.176 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.078 -6.094 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.390 -6.101 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 92 1.386 -3.580 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.547 -2.427 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.219 -3.328 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.367 -3.977 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.691 -3.311 -9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.486 -4.876 -8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.738 -4.813 -9.034 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.723 -5.242 -4.880 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.959 -4.533 -4.587 1.00 0.00 C ATOM 1418 C ALA A 93 -2.189 -4.371 -3.092 1.00 0.00 C ATOM 1419 O ALA A 93 -2.848 -3.407 -2.723 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.170 -5.220 -5.232 1.00 0.00 C ATOM 0 H ALA A 93 -0.873 -6.170 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.850 -3.539 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.075 -4.663 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.038 -5.249 -6.314 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.258 -6.237 -4.850 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.667 -5.248 -2.226 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.708 -4.995 -0.795 1.00 0.00 C ATOM 1428 C GLU A 94 -0.737 -3.869 -0.438 1.00 0.00 C ATOM 1429 O GLU A 94 -1.080 -3.010 0.364 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.412 -6.264 0.007 1.00 0.00 C ATOM 1431 CG GLU A 94 -2.034 -6.141 1.394 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.824 -7.420 2.196 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -0.686 -7.622 2.677 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -2.791 -8.212 2.321 1.00 0.00 O ATOM 0 H GLU A 94 -1.219 -6.125 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.717 -4.681 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.815 -7.136 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.335 -6.412 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.590 -5.298 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.100 -5.935 1.302 1.00 0.00 H new ATOM 1441 N CYS A 95 0.440 -3.807 -1.077 1.00 0.00 N ATOM 1442 CA CYS A 95 1.337 -2.663 -0.917 1.00 0.00 C ATOM 1443 C CYS A 95 0.590 -1.365 -1.234 1.00 0.00 C ATOM 1444 O CYS A 95 0.603 -0.432 -0.430 1.00 0.00 O ATOM 1445 CB CYS A 95 2.591 -2.801 -1.796 1.00 0.00 C ATOM 1446 SG CYS A 95 4.021 -3.249 -0.779 1.00 0.00 S ATOM 0 H CYS A 95 0.788 -4.532 -1.704 1.00 0.00 H new ATOM 0 HA CYS A 95 1.671 -2.635 0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.427 -3.561 -2.560 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.785 -1.863 -2.316 1.00 0.00 H new ATOM 0 HG CYS A 95 4.627 -4.270 -1.308 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.071 -1.317 -2.397 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.811 -0.130 -2.813 1.00 0.00 C ATOM 1454 C LEU A 96 -2.005 0.125 -1.902 1.00 0.00 C ATOM 1455 O LEU A 96 -2.319 1.277 -1.631 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.296 -0.214 -4.263 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.252 -0.522 -5.348 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -0.819 -0.041 -6.690 1.00 0.00 C ATOM 1459 CD2 LEU A 96 1.152 0.059 -5.125 1.00 0.00 C ATOM 0 H LEU A 96 -0.106 -2.089 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.108 0.700 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.069 -0.980 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.770 0.735 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.089 -1.599 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.100 -0.246 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.751 -0.566 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.010 1.031 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.799 -0.225 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.091 1.146 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.563 -0.331 -4.194 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.676 -0.928 -1.419 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.765 -0.808 -0.472 1.00 0.00 C ATOM 1473 C GLN A 97 -3.275 -0.092 0.782 1.00 0.00 C ATOM 1474 O GLN A 97 -3.982 0.808 1.242 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.351 -2.197 -0.146 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.446 -2.202 0.926 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.656 -1.395 0.492 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.527 -1.905 -0.206 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -6.687 -0.105 0.776 1.00 0.00 N ATOM 0 H GLN A 97 -2.468 -1.891 -1.684 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.567 -0.214 -0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.757 -2.627 -1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.541 -2.849 0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.748 -3.229 1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.049 -1.792 1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.957 0.307 1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.441 0.479 0.414 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.097 -0.443 1.324 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.639 0.248 2.526 1.00 0.00 C ATOM 1490 C LYS A 98 -1.357 1.675 2.144 1.00 0.00 C ATOM 1491 O LYS A 98 -1.899 2.531 2.806 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.462 -0.356 3.310 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.448 -1.900 3.349 1.00 0.00 C ATOM 1494 CD LYS A 98 0.897 -2.587 3.058 1.00 0.00 C ATOM 1495 CE LYS A 98 1.196 -3.445 4.282 1.00 0.00 C ATOM 1496 NZ LYS A 98 2.462 -4.188 4.231 1.00 0.00 N ATOM 0 H LYS A 98 -1.474 -1.167 0.965 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.450 0.143 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.471 -0.007 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.490 0.021 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.786 -2.218 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.179 -2.265 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.838 -3.198 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.685 -1.852 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.205 -2.803 5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.381 -4.156 4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.831 -4.311 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.300 -5.121 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.152 -3.659 3.661 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.618 1.956 1.068 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.413 3.312 0.577 1.00 0.00 C ATOM 1512 C ILE A 99 -1.713 4.140 0.598 1.00 0.00 C ATOM 1513 O ILE A 99 -1.663 5.282 1.043 1.00 0.00 O ATOM 1514 CB ILE A 99 0.290 3.209 -0.791 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.766 2.807 -0.579 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.163 4.482 -1.629 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.377 2.127 -1.807 1.00 0.00 C ATOM 0 H ILE A 99 -0.145 1.243 0.513 1.00 0.00 H new ATOM 0 HA ILE A 99 0.239 3.881 1.240 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.215 2.435 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.348 3.695 -0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.836 2.134 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.679 4.345 -2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.890 4.692 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.610 5.318 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.415 1.867 -1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.815 1.222 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.336 2.807 -2.658 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.872 3.603 0.190 1.00 0.00 N ATOM 1530 CA ARG A 100 -4.134 4.346 0.264 1.00 0.00 C ATOM 1531 C ARG A 100 -4.522 4.604 1.712 1.00 0.00 C ATOM 1532 O ARG A 100 -4.910 5.722 2.033 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.278 3.609 -0.449 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.977 3.431 -1.937 1.00 0.00 C ATOM 1535 CD ARG A 100 -6.135 2.869 -2.751 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.624 1.555 -2.290 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.522 0.804 -2.950 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -8.029 1.195 -4.113 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -7.908 -0.370 -2.475 1.00 0.00 N ATOM 0 H ARG A 100 -2.960 2.661 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.972 5.296 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.430 2.634 0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.206 4.168 -0.327 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.690 4.396 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.118 2.769 -2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.961 3.580 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.823 2.782 -3.792 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.255 1.192 -1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.738 2.082 -4.524 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.709 0.608 -4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.523 -0.716 -1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.591 -0.928 -2.988 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.445 3.588 2.565 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.833 3.686 3.968 1.00 0.00 C ATOM 1555 C ASP A 101 -3.920 4.641 4.733 1.00 0.00 C ATOM 1556 O ASP A 101 -4.394 5.502 5.460 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.837 2.311 4.649 1.00 0.00 C ATOM 1558 CG ASP A 101 -6.191 2.057 5.307 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.171 1.843 4.562 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -6.263 2.011 6.557 1.00 0.00 O ATOM 0 H ASP A 101 -4.108 2.663 2.299 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.848 4.084 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.628 1.532 3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.046 2.264 5.397 1.00 0.00 H new ATOM 1565 N MET A 102 -2.609 4.526 4.524 1.00 0.00 N ATOM 1566 CA MET A 102 -1.558 5.367 5.070 1.00 0.00 C ATOM 1567 C MET A 102 -1.819 6.833 4.707 1.00 0.00 C ATOM 1568 O MET A 102 -1.530 7.733 5.487 1.00 0.00 O ATOM 1569 CB MET A 102 -0.214 4.923 4.468 1.00 0.00 C ATOM 1570 CG MET A 102 0.197 3.464 4.759 1.00 0.00 C ATOM 1571 SD MET A 102 1.419 2.846 3.581 1.00 0.00 S ATOM 1572 CE MET A 102 2.887 3.132 4.553 1.00 0.00 C ATOM 0 H MET A 102 -2.233 3.790 3.926 1.00 0.00 H new ATOM 0 HA MET A 102 -1.536 5.271 6.156 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.257 5.061 3.388 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.568 5.584 4.843 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.603 3.398 5.768 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.687 2.827 4.729 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.770 2.980 3.932 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.880 4.155 4.930 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.909 2.436 5.392 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.353 7.087 3.510 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.673 8.419 3.012 1.00 0.00 C ATOM 1584 C ILE A 103 -3.986 8.885 3.636 1.00 0.00 C ATOM 1585 O ILE A 103 -4.073 10.022 4.089 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.653 8.368 1.465 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.165 8.425 1.044 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.509 9.430 0.749 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.919 8.025 -0.408 1.00 0.00 C ATOM 0 H ILE A 103 -2.580 6.348 2.845 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.938 9.170 3.303 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.132 7.443 1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.792 9.437 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.588 7.768 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.421 9.301 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.552 9.316 1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.160 10.425 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.147 8.090 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.260 7.002 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.467 8.697 -1.068 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.992 8.013 3.696 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.281 8.272 4.309 1.00 0.00 C ATOM 1603 C ALA A 104 -6.116 8.667 5.778 1.00 0.00 C ATOM 1604 O ALA A 104 -6.733 9.631 6.232 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.139 7.010 4.176 1.00 0.00 C ATOM 0 H ALA A 104 -4.922 7.074 3.303 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.770 9.105 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.114 7.183 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.269 6.768 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.645 6.180 4.681 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.309 7.916 6.522 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.104 8.120 7.947 1.00 0.00 C ATOM 1613 C GLU A 105 -4.292 9.397 8.157 1.00 0.00 C ATOM 1614 O GLU A 105 -4.650 10.230 8.988 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.536 6.851 8.609 1.00 0.00 C ATOM 1616 CG GLU A 105 -3.033 6.618 8.448 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.544 5.347 9.167 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.626 4.229 8.585 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -2.071 5.469 10.319 1.00 0.00 O ATOM 0 H GLU A 105 -4.772 7.137 6.142 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.051 8.280 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.764 6.889 9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.062 5.988 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.793 6.544 7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.493 7.481 8.838 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.270 9.611 7.328 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.417 10.785 7.396 1.00 0.00 C ATOM 1628 C ALA A 106 -3.166 12.073 7.073 1.00 0.00 C ATOM 1629 O ALA A 106 -2.773 13.144 7.536 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.275 10.630 6.393 1.00 0.00 C ATOM 0 H ALA A 106 -3.013 8.963 6.584 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.047 10.857 8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.630 11.507 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.695 9.740 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.685 10.532 5.388 1.00 0.00 H new ATOM 1636 N SER A 107 -4.195 11.982 6.234 1.00 0.00 N ATOM 1637 CA SER A 107 -4.942 13.146 5.783 1.00 0.00 C ATOM 1638 C SER A 107 -5.991 13.544 6.830 1.00 0.00 C ATOM 1639 O SER A 107 -6.529 14.648 6.752 1.00 0.00 O ATOM 1640 CB SER A 107 -5.535 12.845 4.393 1.00 0.00 C ATOM 1641 OG SER A 107 -5.834 14.024 3.656 1.00 0.00 O ATOM 0 H SER A 107 -4.532 11.099 5.850 1.00 0.00 H new ATOM 0 HA SER A 107 -4.289 14.012 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.831 12.236 3.826 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.444 12.255 4.510 1.00 0.00 H new ATOM 0 HG SER A 107 -5.607 13.886 2.713 1.00 0.00 H new