USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 863 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 92 THR OG1 : rot 145:sc= 0.557 USER MOD Set 1.2: A 94 GLN : amide:sc= -2.61! C(o=-2!,f=-5!) USER MOD Set 2.1: A 23 SER OG : rot -58:sc= -3.25! USER MOD Set 2.2: A 45 LYS NZ :NH3+ -158:sc= 0.602! (180deg=0) USER MOD Set 3.1: A 26 TYR OH : rot 42:sc= -0.0934! USER MOD Set 3.2: A 41 ASN : amide:sc= -5.41! C(o=-5.5!,f=-10!) USER MOD Single : A 20 CYS SG : rot -4:sc= -27.4! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 172:sc= -3.08! USER MOD Single : A 46 SER OG : rot 112:sc= -0.861 USER MOD Single : A 49 THR OG1 : rot 121:sc= 0.867 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 61:sc= 0.82 USER MOD Single : A 76 GLN : amide:sc= -0.441 K(o=-0.44,f=-3.8!) USER MOD Single : A 77 GLN : amide:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 82 ASN : amide:sc= -1.03 K(o=-1,f=-2.6!) USER MOD Single : A 83 LYS NZ :NH3+ 149:sc= 0.461 (180deg=0.123) USER MOD Single : A 84 THR OG1 : rot 153:sc= -5.48! USER MOD Single : A 85 MET CE :methyl -106:sc= -6.83! (180deg=-12.6!) USER MOD Single : A 89 SER OG : rot 149:sc= -1.52 USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0826) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -4.34 X(o=-4.3,f=-4.4!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -175:sc= -0.577 USER MOD Single : A 99 SER OG : rot 21:sc= -5.08! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -54:sc= -1.39! USER MOD Single : A 109 SER OG : rot 45:sc= 0.67 USER MOD Single : A 112 TYR OH : rot 180:sc= -1.25! USER MOD Single : A 116 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0143) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.973 -6.292 -0.589 1.00 0.00 N ATOM 160 CA PRO A 12 -6.722 -6.988 -0.358 1.00 0.00 C ATOM 161 C PRO A 12 -5.824 -6.168 0.575 1.00 0.00 C ATOM 162 O PRO A 12 -5.583 -6.540 1.706 1.00 0.00 O ATOM 163 CB PRO A 12 -6.096 -7.122 -1.741 1.00 0.00 C ATOM 164 CG PRO A 12 -6.729 -5.951 -2.563 1.00 0.00 C ATOM 165 CD PRO A 12 -8.094 -5.620 -1.890 1.00 0.00 C ATOM 0 HA PRO A 12 -6.862 -7.957 0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.010 -7.036 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.321 -8.090 -2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.075 -5.079 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.871 -6.241 -3.604 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.243 -4.546 -1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.936 -6.002 -2.468 1.00 0.00 H new ATOM 173 N VAL A 13 -5.335 -5.053 0.110 1.00 0.00 N ATOM 174 CA VAL A 13 -4.463 -4.204 0.966 1.00 0.00 C ATOM 175 C VAL A 13 -4.878 -2.737 0.801 1.00 0.00 C ATOM 176 O VAL A 13 -4.114 -1.927 0.314 1.00 0.00 O ATOM 177 CB VAL A 13 -3.004 -4.388 0.541 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.138 -3.302 1.184 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.513 -5.763 1.000 1.00 0.00 C ATOM 0 H VAL A 13 -5.503 -4.692 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.568 -4.493 2.012 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.932 -4.313 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.100 -3.436 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.487 -2.321 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.210 -3.375 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.474 -5.897 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.588 -5.833 2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.127 -6.540 0.543 1.00 0.00 H new ATOM 189 N PRO A 14 -6.089 -2.444 1.211 1.00 0.00 N ATOM 190 CA PRO A 14 -6.630 -1.096 1.118 1.00 0.00 C ATOM 191 C PRO A 14 -5.656 -0.089 1.734 1.00 0.00 C ATOM 192 O PRO A 14 -5.185 -0.273 2.839 1.00 0.00 O ATOM 193 CB PRO A 14 -7.920 -1.145 1.930 1.00 0.00 C ATOM 194 CG PRO A 14 -8.329 -2.649 1.878 1.00 0.00 C ATOM 195 CD PRO A 14 -6.997 -3.445 1.796 1.00 0.00 C ATOM 0 HA PRO A 14 -6.798 -0.786 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.762 -0.808 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.690 -0.505 1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.899 -2.930 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.961 -2.853 1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.659 -3.781 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.088 -4.332 1.169 1.00 0.00 H new ATOM 203 N LEU A 15 -5.357 0.986 1.047 1.00 0.00 N ATOM 204 CA LEU A 15 -4.427 1.989 1.638 1.00 0.00 C ATOM 205 C LEU A 15 -5.124 3.349 1.799 1.00 0.00 C ATOM 206 O LEU A 15 -4.579 4.358 1.420 1.00 0.00 O ATOM 207 CB LEU A 15 -3.196 2.159 0.746 1.00 0.00 C ATOM 208 CG LEU A 15 -2.414 0.847 0.699 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.889 0.614 -0.716 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.235 0.928 1.670 1.00 0.00 C ATOM 0 H LEU A 15 -5.712 1.208 0.117 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.121 1.627 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.500 2.449 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.563 2.958 1.131 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.069 0.023 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.332 -0.322 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.727 0.561 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.233 1.437 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.674 -0.006 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.583 1.752 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.607 1.095 2.681 1.00 0.00 H new ATOM 222 N PRO A 16 -6.297 3.340 2.382 1.00 0.00 N ATOM 223 CA PRO A 16 -7.041 4.559 2.633 1.00 0.00 C ATOM 224 C PRO A 16 -6.097 5.698 3.045 1.00 0.00 C ATOM 225 O PRO A 16 -6.265 6.829 2.631 1.00 0.00 O ATOM 226 CB PRO A 16 -7.987 4.192 3.766 1.00 0.00 C ATOM 227 CG PRO A 16 -8.187 2.647 3.612 1.00 0.00 C ATOM 228 CD PRO A 16 -6.963 2.109 2.808 1.00 0.00 C ATOM 0 HA PRO A 16 -7.572 4.916 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.562 4.444 4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.933 4.727 3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.249 2.167 4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.118 2.428 3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.313 1.489 3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.272 1.500 1.958 1.00 0.00 H new ATOM 236 N GLU A 17 -5.104 5.417 3.850 1.00 0.00 N ATOM 237 CA GLU A 17 -4.157 6.495 4.271 1.00 0.00 C ATOM 238 C GLU A 17 -3.785 7.334 3.046 1.00 0.00 C ATOM 239 O GLU A 17 -3.896 8.544 3.045 1.00 0.00 O ATOM 240 CB GLU A 17 -2.895 5.866 4.864 1.00 0.00 C ATOM 241 CG GLU A 17 -2.516 6.599 6.153 1.00 0.00 C ATOM 242 CD GLU A 17 -1.667 5.679 7.033 1.00 0.00 C ATOM 243 OE1 GLU A 17 -1.337 4.596 6.578 1.00 0.00 O ATOM 244 OE2 GLU A 17 -1.363 6.073 8.146 1.00 0.00 O ATOM 0 H GLU A 17 -4.908 4.492 4.233 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.628 7.128 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.065 4.809 5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.076 5.923 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.962 7.508 5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.415 6.904 6.688 1.00 0.00 H new ATOM 251 N LEU A 18 -3.356 6.689 1.999 1.00 0.00 N ATOM 252 CA LEU A 18 -2.982 7.415 0.756 1.00 0.00 C ATOM 253 C LEU A 18 -4.243 7.585 -0.108 1.00 0.00 C ATOM 254 O LEU A 18 -4.756 6.619 -0.637 1.00 0.00 O ATOM 255 CB LEU A 18 -1.957 6.578 -0.010 1.00 0.00 C ATOM 256 CG LEU A 18 -0.821 7.470 -0.507 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.465 7.121 0.244 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.615 7.233 -2.003 1.00 0.00 C ATOM 0 H LEU A 18 -3.247 5.676 1.952 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.559 8.391 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.560 5.795 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.437 6.083 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.072 8.516 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.277 7.757 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.318 7.281 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.718 6.076 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.195 7.867 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.361 6.187 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.532 7.476 -2.540 1.00 0.00 H new ATOM 270 N PRO A 19 -4.718 8.804 -0.209 1.00 0.00 N ATOM 271 CA PRO A 19 -5.922 9.102 -0.978 1.00 0.00 C ATOM 272 C PRO A 19 -5.678 8.934 -2.482 1.00 0.00 C ATOM 273 O PRO A 19 -4.558 8.954 -2.950 1.00 0.00 O ATOM 274 CB PRO A 19 -6.237 10.558 -0.645 1.00 0.00 C ATOM 275 CG PRO A 19 -4.852 11.143 -0.228 1.00 0.00 C ATOM 276 CD PRO A 19 -4.085 9.965 0.434 1.00 0.00 C ATOM 0 HA PRO A 19 -6.741 8.428 -0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.654 11.085 -1.503 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.966 10.637 0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.311 11.526 -1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.970 11.974 0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.014 10.010 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.209 9.952 1.517 1.00 0.00 H new ATOM 284 N CYS A 20 -6.733 8.766 -3.238 1.00 0.00 N ATOM 285 CA CYS A 20 -6.586 8.593 -4.711 1.00 0.00 C ATOM 286 C CYS A 20 -6.686 9.955 -5.405 1.00 0.00 C ATOM 287 O CYS A 20 -5.701 10.636 -5.603 1.00 0.00 O ATOM 288 CB CYS A 20 -7.702 7.681 -5.230 1.00 0.00 C ATOM 289 SG CYS A 20 -7.034 6.030 -5.550 1.00 0.00 S ATOM 0 H CYS A 20 -7.693 8.741 -2.895 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.615 8.147 -4.925 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.508 7.623 -4.499 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.129 8.095 -6.143 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.752 6.032 -5.336 1.00 0.00 H new ATOM 295 N GLU A 21 -7.873 10.353 -5.780 1.00 0.00 N ATOM 296 CA GLU A 21 -8.039 11.666 -6.466 1.00 0.00 C ATOM 297 C GLU A 21 -8.741 12.650 -5.527 1.00 0.00 C ATOM 298 O GLU A 21 -8.110 13.357 -4.767 1.00 0.00 O ATOM 299 CB GLU A 21 -8.880 11.477 -7.732 1.00 0.00 C ATOM 300 CG GLU A 21 -7.967 11.505 -8.960 1.00 0.00 C ATOM 301 CD GLU A 21 -8.814 11.391 -10.228 1.00 0.00 C ATOM 302 OE1 GLU A 21 -9.963 11.798 -10.189 1.00 0.00 O ATOM 303 OE2 GLU A 21 -8.298 10.898 -11.218 1.00 0.00 O ATOM 0 H GLU A 21 -8.734 9.825 -5.640 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.060 12.061 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.417 10.530 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.629 12.265 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.391 12.430 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.251 10.684 -8.913 1.00 0.00 H new ATOM 310 N LYS A 22 -10.044 12.704 -5.575 1.00 0.00 N ATOM 311 CA LYS A 22 -10.786 13.642 -4.687 1.00 0.00 C ATOM 312 C LYS A 22 -12.232 13.165 -4.541 1.00 0.00 C ATOM 313 O LYS A 22 -13.122 13.931 -4.230 1.00 0.00 O ATOM 314 CB LYS A 22 -10.772 15.044 -5.302 1.00 0.00 C ATOM 315 CG LYS A 22 -10.241 16.047 -4.275 1.00 0.00 C ATOM 316 CD LYS A 22 -11.039 15.918 -2.975 1.00 0.00 C ATOM 317 CE LYS A 22 -11.358 17.311 -2.432 1.00 0.00 C ATOM 318 NZ LYS A 22 -12.710 17.729 -2.900 1.00 0.00 N ATOM 0 H LYS A 22 -10.627 12.138 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.310 13.670 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.146 15.055 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.778 15.326 -5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.184 15.863 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.323 17.061 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.962 15.366 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.468 15.352 -2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.324 17.305 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.607 18.025 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.928 18.677 -2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.726 17.750 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.421 17.052 -2.556 1.00 0.00 H new ATOM 332 N SER A 23 -12.472 11.903 -4.764 1.00 0.00 N ATOM 333 CA SER A 23 -13.859 11.372 -4.640 1.00 0.00 C ATOM 334 C SER A 23 -13.978 10.553 -3.355 1.00 0.00 C ATOM 335 O SER A 23 -14.896 9.776 -3.187 1.00 0.00 O ATOM 336 CB SER A 23 -14.166 10.477 -5.839 1.00 0.00 C ATOM 337 OG SER A 23 -15.478 10.757 -6.310 1.00 0.00 O ATOM 0 H SER A 23 -11.767 11.215 -5.027 1.00 0.00 H new ATOM 0 HA SER A 23 -14.565 12.202 -4.610 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.438 10.649 -6.632 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.085 9.428 -5.555 1.00 0.00 H new ATOM 0 HG SER A 23 -16.123 10.612 -5.587 1.00 0.00 H new ATOM 343 N ASP A 24 -13.044 10.709 -2.455 1.00 0.00 N ATOM 344 CA ASP A 24 -13.086 9.935 -1.186 1.00 0.00 C ATOM 345 C ASP A 24 -12.564 8.526 -1.456 1.00 0.00 C ATOM 346 O ASP A 24 -12.727 7.625 -0.658 1.00 0.00 O ATOM 347 CB ASP A 24 -14.523 9.863 -0.663 1.00 0.00 C ATOM 348 CG ASP A 24 -14.554 10.285 0.807 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.047 9.540 1.628 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.085 11.348 1.086 1.00 0.00 O ATOM 0 H ASP A 24 -12.251 11.343 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.466 10.425 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.169 10.514 -1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.909 8.849 -0.769 1.00 0.00 H new ATOM 355 N ALA A 25 -11.935 8.333 -2.584 1.00 0.00 N ATOM 356 CA ALA A 25 -11.400 6.988 -2.913 1.00 0.00 C ATOM 357 C ALA A 25 -10.041 6.808 -2.238 1.00 0.00 C ATOM 358 O ALA A 25 -9.580 7.667 -1.513 1.00 0.00 O ATOM 359 CB ALA A 25 -11.240 6.855 -4.428 1.00 0.00 C ATOM 0 H ALA A 25 -11.770 9.051 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.090 6.224 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.847 5.867 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.209 6.986 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.549 7.617 -4.789 1.00 0.00 H new ATOM 365 N TYR A 26 -9.394 5.698 -2.465 1.00 0.00 N ATOM 366 CA TYR A 26 -8.067 5.477 -1.828 1.00 0.00 C ATOM 367 C TYR A 26 -7.204 4.584 -2.718 1.00 0.00 C ATOM 368 O TYR A 26 -7.520 4.345 -3.864 1.00 0.00 O ATOM 369 CB TYR A 26 -8.257 4.819 -0.462 1.00 0.00 C ATOM 370 CG TYR A 26 -9.501 3.961 -0.469 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.764 4.561 -0.415 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.389 2.566 -0.524 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.917 3.767 -0.417 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.542 1.772 -0.525 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.805 2.373 -0.471 1.00 0.00 C ATOM 376 OH TYR A 26 -12.942 1.591 -0.472 1.00 0.00 O ATOM 0 H TYR A 26 -9.725 4.939 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.567 6.437 -1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.387 4.210 -0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.337 5.583 0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.849 5.637 -0.372 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.414 2.103 -0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.892 4.230 -0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.457 0.696 -0.567 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.617 1.995 -1.056 1.00 0.00 H new ATOM 386 N PHE A 27 -6.105 4.099 -2.203 1.00 0.00 N ATOM 387 CA PHE A 27 -5.215 3.237 -3.031 1.00 0.00 C ATOM 388 C PHE A 27 -5.230 1.794 -2.518 1.00 0.00 C ATOM 389 O PHE A 27 -4.374 1.381 -1.763 1.00 0.00 O ATOM 390 CB PHE A 27 -3.788 3.784 -2.975 1.00 0.00 C ATOM 391 CG PHE A 27 -3.517 4.586 -4.224 1.00 0.00 C ATOM 392 CD1 PHE A 27 -4.472 5.498 -4.686 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.315 4.417 -4.921 1.00 0.00 C ATOM 394 CE1 PHE A 27 -4.226 6.243 -5.845 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.069 5.162 -6.080 1.00 0.00 C ATOM 396 CZ PHE A 27 -3.024 6.073 -6.542 1.00 0.00 C ATOM 0 H PHE A 27 -5.787 4.262 -1.248 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.577 3.244 -4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.659 4.409 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.074 2.964 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.400 5.627 -4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.578 3.712 -4.565 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.963 6.948 -6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.141 5.033 -6.618 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.834 6.646 -7.438 1.00 0.00 H new ATOM 406 N VAL A 28 -6.187 1.016 -2.931 1.00 0.00 N ATOM 407 CA VAL A 28 -6.237 -0.401 -2.480 1.00 0.00 C ATOM 408 C VAL A 28 -5.143 -1.188 -3.204 1.00 0.00 C ATOM 409 O VAL A 28 -5.289 -1.567 -4.349 1.00 0.00 O ATOM 410 CB VAL A 28 -7.607 -1.000 -2.810 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.932 -2.120 -1.821 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.677 0.088 -2.710 1.00 0.00 C ATOM 0 H VAL A 28 -6.937 1.299 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.078 -0.452 -1.403 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.588 -1.404 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.908 -2.544 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.172 -2.898 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.949 -1.718 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.652 -0.338 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.692 0.492 -1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.451 0.887 -3.416 1.00 0.00 H new ATOM 422 N LEU A 29 -4.043 -1.432 -2.544 1.00 0.00 N ATOM 423 CA LEU A 29 -2.935 -2.185 -3.195 1.00 0.00 C ATOM 424 C LEU A 29 -3.444 -3.549 -3.663 1.00 0.00 C ATOM 425 O LEU A 29 -3.811 -4.394 -2.872 1.00 0.00 O ATOM 426 CB LEU A 29 -1.787 -2.373 -2.201 1.00 0.00 C ATOM 427 CG LEU A 29 -0.703 -3.249 -2.831 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.332 -2.362 -3.525 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.018 -4.073 -1.739 1.00 0.00 C ATOM 0 H LEU A 29 -3.865 -1.142 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.575 -1.623 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.371 -1.405 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.157 -2.836 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.156 -3.918 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.104 -2.987 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.156 -1.774 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.786 -1.693 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.755 -4.698 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.435 -3.403 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.755 -4.706 -1.244 1.00 0.00 H new ATOM 441 N ARG A 30 -3.462 -3.767 -4.949 1.00 0.00 N ATOM 442 CA ARG A 30 -3.939 -5.072 -5.481 1.00 0.00 C ATOM 443 C ARG A 30 -2.827 -5.709 -6.318 1.00 0.00 C ATOM 444 O ARG A 30 -1.668 -5.368 -6.186 1.00 0.00 O ATOM 445 CB ARG A 30 -5.171 -4.843 -6.360 1.00 0.00 C ATOM 446 CG ARG A 30 -6.377 -5.557 -5.747 1.00 0.00 C ATOM 447 CD ARG A 30 -7.466 -5.724 -6.807 1.00 0.00 C ATOM 448 NE ARG A 30 -7.926 -4.382 -7.264 1.00 0.00 N ATOM 449 CZ ARG A 30 -9.155 -4.004 -7.041 1.00 0.00 C ATOM 450 NH1 ARG A 30 -9.655 -4.081 -5.838 1.00 0.00 N ATOM 451 NH2 ARG A 30 -9.885 -3.548 -8.023 1.00 0.00 N ATOM 0 H ARG A 30 -3.166 -3.094 -5.656 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.201 -5.733 -4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.374 -3.776 -6.449 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.987 -5.217 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.078 -6.532 -5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.761 -4.984 -4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.081 -6.295 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.304 -6.287 -6.397 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.281 -3.760 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.085 -4.437 -5.071 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.616 -3.785 -5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.495 -3.488 -8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.846 -3.252 -7.850 1.00 0.00 H new ATOM 465 N ASP A 31 -3.169 -6.626 -7.177 1.00 0.00 N ATOM 466 CA ASP A 31 -2.128 -7.278 -8.021 1.00 0.00 C ATOM 467 C ASP A 31 -2.674 -7.478 -9.436 1.00 0.00 C ATOM 468 O ASP A 31 -3.681 -8.128 -9.637 1.00 0.00 O ATOM 469 CB ASP A 31 -1.759 -8.635 -7.418 1.00 0.00 C ATOM 470 CG ASP A 31 -2.920 -9.611 -7.608 1.00 0.00 C ATOM 471 OD1 ASP A 31 -4.057 -9.171 -7.541 1.00 0.00 O ATOM 472 OD2 ASP A 31 -2.655 -10.783 -7.818 1.00 0.00 O ATOM 0 H ASP A 31 -4.123 -6.953 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.241 -6.646 -8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.860 -9.025 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.533 -8.524 -6.357 1.00 0.00 H new ATOM 477 N GLY A 32 -2.019 -6.925 -10.421 1.00 0.00 N ATOM 478 CA GLY A 32 -2.504 -7.087 -11.820 1.00 0.00 C ATOM 479 C GLY A 32 -1.869 -8.333 -12.436 1.00 0.00 C ATOM 480 O GLY A 32 -1.602 -8.386 -13.620 1.00 0.00 O ATOM 0 H GLY A 32 -1.170 -6.369 -10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.590 -7.175 -11.832 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.249 -6.206 -12.409 1.00 0.00 H new ATOM 484 N ALA A 33 -1.623 -9.338 -11.641 1.00 0.00 N ATOM 485 CA ALA A 33 -1.003 -10.580 -12.180 1.00 0.00 C ATOM 486 C ALA A 33 0.377 -10.248 -12.751 1.00 0.00 C ATOM 487 O ALA A 33 0.522 -9.355 -13.562 1.00 0.00 O ATOM 488 CB ALA A 33 -1.889 -11.154 -13.287 1.00 0.00 C ATOM 0 H ALA A 33 -1.825 -9.352 -10.641 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.901 -11.315 -11.381 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.435 -12.063 -13.682 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.874 -11.387 -12.881 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.990 -10.422 -14.088 1.00 0.00 H new ATOM 494 N ALA A 34 1.390 -10.961 -12.328 1.00 0.00 N ATOM 495 CA ALA A 34 2.770 -10.700 -12.837 1.00 0.00 C ATOM 496 C ALA A 34 3.403 -9.538 -12.065 1.00 0.00 C ATOM 497 O ALA A 34 4.569 -9.574 -11.725 1.00 0.00 O ATOM 498 CB ALA A 34 2.719 -10.357 -14.328 1.00 0.00 C ATOM 0 H ALA A 34 1.319 -11.718 -11.647 1.00 0.00 H new ATOM 0 HA ALA A 34 3.373 -11.596 -12.693 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.729 -10.168 -14.693 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.285 -11.191 -14.879 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.107 -9.467 -14.476 1.00 0.00 H new ATOM 504 N GLY A 35 2.653 -8.504 -11.784 1.00 0.00 N ATOM 505 CA GLY A 35 3.232 -7.352 -11.038 1.00 0.00 C ATOM 506 C GLY A 35 2.193 -6.792 -10.065 1.00 0.00 C ATOM 507 O GLY A 35 1.003 -6.866 -10.301 1.00 0.00 O ATOM 0 H GLY A 35 1.670 -8.409 -12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.121 -7.669 -10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.546 -6.576 -11.736 1.00 0.00 H new ATOM 511 N VAL A 36 2.634 -6.230 -8.972 1.00 0.00 N ATOM 512 CA VAL A 36 1.674 -5.663 -7.984 1.00 0.00 C ATOM 513 C VAL A 36 1.473 -4.173 -8.268 1.00 0.00 C ATOM 514 O VAL A 36 2.124 -3.602 -9.120 1.00 0.00 O ATOM 515 CB VAL A 36 2.231 -5.842 -6.571 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.716 -7.281 -6.391 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.404 -4.881 -6.360 1.00 0.00 C ATOM 0 H VAL A 36 3.619 -6.139 -8.721 1.00 0.00 H new ATOM 0 HA VAL A 36 0.719 -6.181 -8.066 1.00 0.00 H new ATOM 0 HB VAL A 36 1.448 -5.628 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.113 -7.408 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.883 -7.967 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.499 -7.495 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.802 -5.008 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.186 -5.096 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.061 -3.854 -6.488 1.00 0.00 H new ATOM 527 N PHE A 37 0.580 -3.539 -7.561 1.00 0.00 N ATOM 528 CA PHE A 37 0.342 -2.087 -7.792 1.00 0.00 C ATOM 529 C PHE A 37 -0.758 -1.592 -6.848 1.00 0.00 C ATOM 530 O PHE A 37 -1.207 -2.305 -5.973 1.00 0.00 O ATOM 531 CB PHE A 37 -0.082 -1.865 -9.248 1.00 0.00 C ATOM 532 CG PHE A 37 -1.516 -2.301 -9.435 1.00 0.00 C ATOM 533 CD1 PHE A 37 -1.917 -3.586 -9.050 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.446 -1.415 -9.991 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.248 -3.984 -9.222 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.776 -1.813 -10.162 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.177 -3.096 -9.778 1.00 0.00 C ATOM 0 H PHE A 37 0.005 -3.963 -6.833 1.00 0.00 H new ATOM 0 HA PHE A 37 1.259 -1.531 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.025 -0.813 -9.511 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.569 -2.429 -9.916 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.200 -4.270 -8.621 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.137 -0.424 -10.288 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.558 -4.975 -8.926 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.493 -1.129 -10.591 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.204 -3.403 -9.910 1.00 0.00 H new ATOM 547 N LEU A 38 -1.196 -0.375 -7.021 1.00 0.00 N ATOM 548 CA LEU A 38 -2.266 0.166 -6.134 1.00 0.00 C ATOM 549 C LEU A 38 -3.330 0.856 -6.985 1.00 0.00 C ATOM 550 O LEU A 38 -3.141 1.959 -7.457 1.00 0.00 O ATOM 551 CB LEU A 38 -1.663 1.178 -5.157 1.00 0.00 C ATOM 552 CG LEU A 38 -0.218 0.792 -4.837 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.736 1.636 -5.684 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.060 1.045 -3.354 1.00 0.00 C ATOM 0 H LEU A 38 -0.860 0.268 -7.738 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.718 -0.652 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.695 2.178 -5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.252 1.208 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.066 -0.264 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.766 1.361 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.539 1.458 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.585 2.692 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.090 0.770 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.092 2.101 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.619 0.444 -2.749 1.00 0.00 H new ATOM 566 N ALA A 39 -4.452 0.220 -7.182 1.00 0.00 N ATOM 567 CA ALA A 39 -5.523 0.850 -8.000 1.00 0.00 C ATOM 568 C ALA A 39 -6.432 1.680 -7.095 1.00 0.00 C ATOM 569 O ALA A 39 -6.614 1.379 -5.928 1.00 0.00 O ATOM 570 CB ALA A 39 -6.358 -0.230 -8.692 1.00 0.00 C ATOM 0 H ALA A 39 -4.672 -0.705 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.064 1.490 -8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.139 0.241 -9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.716 -0.826 -9.340 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.814 -0.875 -7.941 1.00 0.00 H new ATOM 576 N ALA A 40 -7.009 2.719 -7.626 1.00 0.00 N ATOM 577 CA ALA A 40 -7.912 3.563 -6.807 1.00 0.00 C ATOM 578 C ALA A 40 -9.181 2.770 -6.497 1.00 0.00 C ATOM 579 O ALA A 40 -9.689 2.049 -7.332 1.00 0.00 O ATOM 580 CB ALA A 40 -8.270 4.830 -7.587 1.00 0.00 C ATOM 0 H ALA A 40 -6.893 3.019 -8.594 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.419 3.845 -5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.934 5.452 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.361 5.386 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.771 4.556 -8.516 1.00 0.00 H new ATOM 586 N ASN A 41 -9.696 2.890 -5.306 1.00 0.00 N ATOM 587 CA ASN A 41 -10.930 2.132 -4.956 1.00 0.00 C ATOM 588 C ASN A 41 -12.125 2.722 -5.714 1.00 0.00 C ATOM 589 O ASN A 41 -13.223 2.206 -5.656 1.00 0.00 O ATOM 590 CB ASN A 41 -11.174 2.217 -3.446 1.00 0.00 C ATOM 591 CG ASN A 41 -12.602 1.772 -3.127 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.418 2.565 -2.700 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.941 0.526 -3.317 1.00 0.00 N ATOM 0 H ASN A 41 -9.318 3.477 -4.562 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.808 1.086 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.460 1.586 -2.917 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.015 3.238 -3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.891 0.218 -3.107 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.256 -0.140 -3.675 1.00 0.00 H new ATOM 600 N THR A 42 -11.919 3.795 -6.432 1.00 0.00 N ATOM 601 CA THR A 42 -13.042 4.407 -7.197 1.00 0.00 C ATOM 602 C THR A 42 -12.883 4.082 -8.687 1.00 0.00 C ATOM 603 O THR A 42 -13.668 4.511 -9.508 1.00 0.00 O ATOM 604 CB THR A 42 -13.026 5.926 -7.001 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.681 6.377 -6.913 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.773 6.284 -5.715 1.00 0.00 C ATOM 0 H THR A 42 -11.022 4.273 -6.521 1.00 0.00 H new ATOM 0 HA THR A 42 -13.989 4.004 -6.836 1.00 0.00 H new ATOM 0 HB THR A 42 -13.515 6.407 -7.848 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.664 7.357 -6.918 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.761 7.365 -5.576 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.804 5.938 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.286 5.804 -4.866 1.00 0.00 H new ATOM 614 N PHE A 43 -11.874 3.323 -9.035 1.00 0.00 N ATOM 615 CA PHE A 43 -11.651 2.957 -10.467 1.00 0.00 C ATOM 616 C PHE A 43 -12.999 2.716 -11.158 1.00 0.00 C ATOM 617 O PHE A 43 -13.909 2.184 -10.554 1.00 0.00 O ATOM 618 CB PHE A 43 -10.815 1.675 -10.528 1.00 0.00 C ATOM 619 CG PHE A 43 -10.776 1.159 -11.947 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.888 0.499 -12.483 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.627 1.341 -12.726 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.851 0.023 -13.799 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.591 0.865 -14.042 1.00 0.00 C ATOM 624 CZ PHE A 43 -10.702 0.206 -14.578 1.00 0.00 C ATOM 0 H PHE A 43 -11.190 2.939 -8.383 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.129 3.769 -10.974 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.803 1.872 -10.175 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.241 0.920 -9.868 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.774 0.357 -11.882 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.768 1.849 -12.312 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.709 -0.485 -14.213 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.705 1.007 -14.643 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.674 -0.162 -15.593 1.00 0.00 H new ATOM 634 N PRO A 44 -13.088 3.104 -12.409 1.00 0.00 N ATOM 635 CA PRO A 44 -11.991 3.742 -13.127 1.00 0.00 C ATOM 636 C PRO A 44 -11.899 5.231 -12.770 1.00 0.00 C ATOM 637 O PRO A 44 -11.004 5.924 -13.211 1.00 0.00 O ATOM 638 CB PRO A 44 -12.366 3.582 -14.593 1.00 0.00 C ATOM 639 CG PRO A 44 -13.926 3.522 -14.567 1.00 0.00 C ATOM 640 CD PRO A 44 -14.315 2.904 -13.192 1.00 0.00 C ATOM 0 HA PRO A 44 -11.025 3.301 -12.882 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.007 4.418 -15.193 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.937 2.676 -15.020 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.356 4.517 -14.682 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.306 2.914 -15.388 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.171 3.409 -12.745 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.577 1.849 -13.278 1.00 0.00 H new ATOM 648 N LYS A 45 -12.821 5.729 -11.986 1.00 0.00 N ATOM 649 CA LYS A 45 -12.788 7.172 -11.610 1.00 0.00 C ATOM 650 C LYS A 45 -11.346 7.596 -11.325 1.00 0.00 C ATOM 651 O LYS A 45 -10.962 8.725 -11.555 1.00 0.00 O ATOM 652 CB LYS A 45 -13.655 7.385 -10.365 1.00 0.00 C ATOM 653 CG LYS A 45 -13.279 8.703 -9.691 1.00 0.00 C ATOM 654 CD LYS A 45 -14.250 8.988 -8.545 1.00 0.00 C ATOM 655 CE LYS A 45 -14.949 10.326 -8.791 1.00 0.00 C ATOM 656 NZ LYS A 45 -16.402 10.192 -8.488 1.00 0.00 N ATOM 0 H LYS A 45 -13.596 5.197 -11.590 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.177 7.777 -12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.709 7.396 -10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.517 6.558 -9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.258 8.651 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.309 9.516 -10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.987 8.188 -8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.713 9.015 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.506 11.100 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.810 10.636 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.931 10.936 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.738 9.259 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.553 10.287 -7.463 1.00 0.00 H new ATOM 670 N SER A 46 -10.543 6.697 -10.833 1.00 0.00 N ATOM 671 CA SER A 46 -9.127 7.046 -10.541 1.00 0.00 C ATOM 672 C SER A 46 -8.218 5.956 -11.106 1.00 0.00 C ATOM 673 O SER A 46 -8.011 4.927 -10.495 1.00 0.00 O ATOM 674 CB SER A 46 -8.927 7.151 -9.029 1.00 0.00 C ATOM 675 OG SER A 46 -9.172 8.489 -8.616 1.00 0.00 O ATOM 0 H SER A 46 -10.806 5.735 -10.620 1.00 0.00 H new ATOM 0 HA SER A 46 -8.881 8.003 -11.001 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.603 6.469 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.912 6.856 -8.763 1.00 0.00 H new ATOM 0 HG SER A 46 -9.987 8.520 -8.073 1.00 0.00 H new ATOM 681 N ARG A 47 -7.679 6.169 -12.275 1.00 0.00 N ATOM 682 CA ARG A 47 -6.790 5.141 -12.880 1.00 0.00 C ATOM 683 C ARG A 47 -5.349 5.389 -12.439 1.00 0.00 C ATOM 684 O ARG A 47 -4.416 5.207 -13.195 1.00 0.00 O ATOM 685 CB ARG A 47 -6.879 5.220 -14.404 1.00 0.00 C ATOM 686 CG ARG A 47 -7.567 3.961 -14.932 1.00 0.00 C ATOM 687 CD ARG A 47 -7.253 3.793 -16.417 1.00 0.00 C ATOM 688 NE ARG A 47 -6.276 2.683 -16.596 1.00 0.00 N ATOM 689 CZ ARG A 47 -5.019 2.950 -16.819 1.00 0.00 C ATOM 690 NH1 ARG A 47 -4.651 3.443 -17.970 1.00 0.00 N ATOM 691 NH2 ARG A 47 -4.129 2.725 -15.891 1.00 0.00 N ATOM 0 H ARG A 47 -7.816 7.010 -12.836 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.105 4.151 -12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.438 6.107 -14.702 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.882 5.312 -14.834 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.226 3.087 -14.376 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.644 4.033 -14.783 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.167 3.580 -16.971 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.845 4.720 -16.820 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.590 1.714 -16.544 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.346 3.619 -18.695 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.668 3.652 -18.145 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.417 2.340 -14.991 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.146 2.934 -16.066 1.00 0.00 H new ATOM 705 N GLU A 48 -5.159 5.798 -11.214 1.00 0.00 N ATOM 706 CA GLU A 48 -3.779 6.051 -10.720 1.00 0.00 C ATOM 707 C GLU A 48 -3.194 4.742 -10.192 1.00 0.00 C ATOM 708 O GLU A 48 -2.660 4.680 -9.102 1.00 0.00 O ATOM 709 CB GLU A 48 -3.818 7.086 -9.594 1.00 0.00 C ATOM 710 CG GLU A 48 -4.627 8.303 -10.047 1.00 0.00 C ATOM 711 CD GLU A 48 -4.655 9.344 -8.926 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.774 8.947 -7.779 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.558 10.520 -9.234 1.00 0.00 O ATOM 0 H GLU A 48 -5.901 5.967 -10.535 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.160 6.431 -11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.266 6.650 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.805 7.388 -9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.185 8.733 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.643 8.002 -10.304 1.00 0.00 H new ATOM 720 N THR A 49 -3.297 3.692 -10.959 1.00 0.00 N ATOM 721 CA THR A 49 -2.755 2.380 -10.507 1.00 0.00 C ATOM 722 C THR A 49 -1.407 2.128 -11.184 1.00 0.00 C ATOM 723 O THR A 49 -1.235 2.376 -12.361 1.00 0.00 O ATOM 724 CB THR A 49 -3.731 1.255 -10.877 1.00 0.00 C ATOM 725 OG1 THR A 49 -3.304 0.638 -12.083 1.00 0.00 O ATOM 726 CG2 THR A 49 -5.142 1.821 -11.064 1.00 0.00 C ATOM 0 H THR A 49 -3.734 3.686 -11.881 1.00 0.00 H new ATOM 0 HA THR A 49 -2.625 2.399 -9.425 1.00 0.00 H new ATOM 0 HB THR A 49 -3.748 0.519 -10.073 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.144 -0.316 -11.924 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.826 1.014 -11.326 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.472 2.289 -10.137 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.133 2.563 -11.862 1.00 0.00 H new ATOM 734 N ARG A 50 -0.449 1.636 -10.449 1.00 0.00 N ATOM 735 CA ARG A 50 0.889 1.368 -11.046 1.00 0.00 C ATOM 736 C ARG A 50 1.847 0.904 -9.948 1.00 0.00 C ATOM 737 O ARG A 50 1.546 0.989 -8.774 1.00 0.00 O ATOM 738 CB ARG A 50 1.428 2.651 -11.683 1.00 0.00 C ATOM 739 CG ARG A 50 2.204 2.304 -12.954 1.00 0.00 C ATOM 740 CD ARG A 50 3.195 3.427 -13.270 1.00 0.00 C ATOM 741 NE ARG A 50 3.912 3.819 -12.023 1.00 0.00 N ATOM 742 CZ ARG A 50 3.919 5.066 -11.640 1.00 0.00 C ATOM 743 NH1 ARG A 50 3.995 6.022 -12.526 1.00 0.00 N ATOM 744 NH2 ARG A 50 3.848 5.359 -10.369 1.00 0.00 N ATOM 0 H ARG A 50 -0.535 1.408 -9.459 1.00 0.00 H new ATOM 0 HA ARG A 50 0.802 0.593 -11.808 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.605 3.325 -11.920 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.076 3.174 -10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.736 1.362 -12.822 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.515 2.167 -13.788 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.909 3.096 -14.024 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.668 4.286 -13.685 1.00 0.00 H new ATOM 0 HE ARG A 50 4.397 3.113 -11.470 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.049 5.794 -13.519 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.000 6.997 -12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.787 4.613 -9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.853 6.334 -10.069 1.00 0.00 H new ATOM 758 N ALA A 51 2.999 0.414 -10.316 1.00 0.00 N ATOM 759 CA ALA A 51 3.969 -0.050 -9.285 1.00 0.00 C ATOM 760 C ALA A 51 4.043 0.992 -8.162 1.00 0.00 C ATOM 761 O ALA A 51 4.101 2.176 -8.429 1.00 0.00 O ATOM 762 CB ALA A 51 5.349 -0.213 -9.922 1.00 0.00 C ATOM 0 H ALA A 51 3.310 0.315 -11.283 1.00 0.00 H new ATOM 0 HA ALA A 51 3.644 -1.007 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.060 -0.552 -9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.294 -0.947 -10.726 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.678 0.744 -10.326 1.00 0.00 H new ATOM 768 N PRO A 52 4.029 0.527 -6.937 1.00 0.00 N ATOM 769 CA PRO A 52 4.084 1.411 -5.783 1.00 0.00 C ATOM 770 C PRO A 52 5.515 1.909 -5.561 1.00 0.00 C ATOM 771 O PRO A 52 6.467 1.167 -5.694 1.00 0.00 O ATOM 772 CB PRO A 52 3.640 0.538 -4.618 1.00 0.00 C ATOM 773 CG PRO A 52 4.032 -0.905 -5.067 1.00 0.00 C ATOM 774 CD PRO A 52 3.956 -0.909 -6.624 1.00 0.00 C ATOM 0 HA PRO A 52 3.459 2.296 -5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.142 0.820 -3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.568 0.624 -4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.035 -1.161 -4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.352 -1.644 -4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.779 -1.467 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.032 -1.359 -6.986 1.00 0.00 H new ATOM 782 N LEU A 53 5.676 3.156 -5.211 1.00 0.00 N ATOM 783 CA LEU A 53 7.046 3.686 -4.968 1.00 0.00 C ATOM 784 C LEU A 53 7.698 2.875 -3.847 1.00 0.00 C ATOM 785 O LEU A 53 7.061 2.532 -2.873 1.00 0.00 O ATOM 786 CB LEU A 53 6.964 5.150 -4.552 1.00 0.00 C ATOM 787 CG LEU A 53 8.067 5.935 -5.264 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.387 5.166 -5.184 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.690 6.138 -6.731 1.00 0.00 C ATOM 0 H LEU A 53 4.920 3.828 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 53 7.638 3.606 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.987 5.559 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.075 5.241 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 53 8.182 6.904 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.168 5.730 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.663 5.025 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.271 4.194 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.478 6.698 -7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.569 5.168 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.754 6.694 -6.793 1.00 0.00 H new ATOM 801 N VAL A 54 8.960 2.562 -3.970 1.00 0.00 N ATOM 802 CA VAL A 54 9.626 1.769 -2.897 1.00 0.00 C ATOM 803 C VAL A 54 9.517 2.530 -1.575 1.00 0.00 C ATOM 804 O VAL A 54 9.175 1.971 -0.551 1.00 0.00 O ATOM 805 CB VAL A 54 11.098 1.553 -3.249 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.677 0.453 -2.356 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.215 1.126 -4.713 1.00 0.00 C ATOM 0 H VAL A 54 9.554 2.818 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 54 9.140 0.798 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 54 11.648 2.481 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.727 0.297 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.592 0.751 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.125 -0.473 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.264 0.972 -4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.665 0.197 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.799 1.904 -5.353 1.00 0.00 H new ATOM 817 N GLU A 55 9.796 3.805 -1.590 1.00 0.00 N ATOM 818 CA GLU A 55 9.698 4.599 -0.335 1.00 0.00 C ATOM 819 C GLU A 55 8.259 4.542 0.176 1.00 0.00 C ATOM 820 O GLU A 55 8.011 4.559 1.365 1.00 0.00 O ATOM 821 CB GLU A 55 10.087 6.052 -0.613 1.00 0.00 C ATOM 822 CG GLU A 55 8.982 6.732 -1.425 1.00 0.00 C ATOM 823 CD GLU A 55 9.592 7.829 -2.300 1.00 0.00 C ATOM 824 OE1 GLU A 55 10.108 7.499 -3.354 1.00 0.00 O ATOM 825 OE2 GLU A 55 9.530 8.980 -1.900 1.00 0.00 O ATOM 0 H GLU A 55 10.087 4.329 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 55 10.373 4.187 0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.242 6.584 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.029 6.089 -1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.470 5.998 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.235 7.159 -0.756 1.00 0.00 H new ATOM 832 N GLU A 56 7.308 4.461 -0.714 1.00 0.00 N ATOM 833 CA GLU A 56 5.888 4.388 -0.276 1.00 0.00 C ATOM 834 C GLU A 56 5.655 3.036 0.399 1.00 0.00 C ATOM 835 O GLU A 56 4.886 2.916 1.331 1.00 0.00 O ATOM 836 CB GLU A 56 4.967 4.522 -1.491 1.00 0.00 C ATOM 837 CG GLU A 56 3.797 5.444 -1.145 1.00 0.00 C ATOM 838 CD GLU A 56 2.622 5.152 -2.079 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.783 5.330 -3.276 1.00 0.00 O ATOM 840 OE2 GLU A 56 1.580 4.755 -1.583 1.00 0.00 O ATOM 0 H GLU A 56 7.454 4.442 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 56 5.672 5.196 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.522 4.924 -2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.595 3.542 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.497 5.294 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.101 6.486 -1.241 1.00 0.00 H new ATOM 847 N LEU A 57 6.328 2.018 -0.065 1.00 0.00 N ATOM 848 CA LEU A 57 6.163 0.673 0.548 1.00 0.00 C ATOM 849 C LEU A 57 6.641 0.727 2.000 1.00 0.00 C ATOM 850 O LEU A 57 6.062 0.118 2.878 1.00 0.00 O ATOM 851 CB LEU A 57 7.005 -0.348 -0.226 1.00 0.00 C ATOM 852 CG LEU A 57 6.281 -1.701 -0.280 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.618 -1.998 1.066 1.00 0.00 C ATOM 854 CD2 LEU A 57 5.212 -1.663 -1.373 1.00 0.00 C ATOM 0 H LEU A 57 6.986 2.062 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 57 5.114 0.378 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.190 0.014 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.977 -0.466 0.253 1.00 0.00 H new ATOM 0 HG LEU A 57 7.007 -2.483 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.108 -2.960 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.378 -2.031 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.895 -1.215 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.697 -2.623 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.493 -0.875 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.683 -1.464 -2.336 1.00 0.00 H new ATOM 866 N TYR A 58 7.696 1.453 2.260 1.00 0.00 N ATOM 867 CA TYR A 58 8.209 1.547 3.656 1.00 0.00 C ATOM 868 C TYR A 58 7.317 2.489 4.465 1.00 0.00 C ATOM 869 O TYR A 58 7.130 2.317 5.653 1.00 0.00 O ATOM 870 CB TYR A 58 9.641 2.089 3.637 1.00 0.00 C ATOM 871 CG TYR A 58 10.211 2.053 5.034 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.877 0.908 5.490 1.00 0.00 C ATOM 873 CD2 TYR A 58 10.076 3.164 5.875 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.407 0.875 6.785 1.00 0.00 C ATOM 875 CE2 TYR A 58 10.606 3.131 7.170 1.00 0.00 C ATOM 876 CZ TYR A 58 11.271 1.986 7.625 1.00 0.00 C ATOM 877 OH TYR A 58 11.793 1.954 8.902 1.00 0.00 O ATOM 0 H TYR A 58 8.223 1.984 1.567 1.00 0.00 H new ATOM 0 HA TYR A 58 8.201 0.558 4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.258 1.492 2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.650 3.110 3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.982 0.050 4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.563 4.047 5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.921 -0.008 7.136 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.502 3.989 7.818 1.00 0.00 H new ATOM 0 HH TYR A 58 11.612 2.806 9.351 1.00 0.00 H new ATOM 887 N ARG A 59 6.762 3.487 3.831 1.00 0.00 N ATOM 888 CA ARG A 59 5.881 4.440 4.563 1.00 0.00 C ATOM 889 C ARG A 59 4.610 3.715 5.009 1.00 0.00 C ATOM 890 O ARG A 59 3.964 4.102 5.962 1.00 0.00 O ATOM 891 CB ARG A 59 5.508 5.602 3.640 1.00 0.00 C ATOM 892 CG ARG A 59 4.959 6.761 4.473 1.00 0.00 C ATOM 893 CD ARG A 59 3.644 7.249 3.864 1.00 0.00 C ATOM 894 NE ARG A 59 2.786 7.829 4.935 1.00 0.00 N ATOM 895 CZ ARG A 59 1.761 8.573 4.619 1.00 0.00 C ATOM 896 NH1 ARG A 59 0.618 8.017 4.324 1.00 0.00 N ATOM 897 NH2 ARG A 59 1.879 9.872 4.597 1.00 0.00 N ATOM 0 H ARG A 59 6.881 3.683 2.837 1.00 0.00 H new ATOM 0 HA ARG A 59 6.407 4.825 5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.382 5.928 3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.763 5.278 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.798 6.439 5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.682 7.576 4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.842 7.997 3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.127 6.422 3.377 1.00 0.00 H new ATOM 0 HE ARG A 59 3.000 7.645 5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.526 7.001 4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.183 8.598 4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.773 10.307 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.078 10.453 4.350 1.00 0.00 H new ATOM 911 N PHE A 60 4.250 2.663 4.328 1.00 0.00 N ATOM 912 CA PHE A 60 3.026 1.909 4.712 1.00 0.00 C ATOM 913 C PHE A 60 3.432 0.542 5.263 1.00 0.00 C ATOM 914 O PHE A 60 2.736 -0.439 5.098 1.00 0.00 O ATOM 915 CB PHE A 60 2.132 1.722 3.483 1.00 0.00 C ATOM 916 CG PHE A 60 1.313 2.972 3.260 1.00 0.00 C ATOM 917 CD1 PHE A 60 1.931 4.139 2.795 1.00 0.00 C ATOM 918 CD2 PHE A 60 -0.063 2.963 3.518 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.173 5.298 2.588 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.821 4.122 3.311 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.203 5.289 2.846 1.00 0.00 C ATOM 0 H PHE A 60 4.752 2.293 3.521 1.00 0.00 H new ATOM 0 HA PHE A 60 2.478 2.463 5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.743 1.513 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.475 0.864 3.626 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.992 4.145 2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.540 2.063 3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.650 6.198 2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.882 4.116 3.510 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.788 6.183 2.686 1.00 0.00 H new ATOM 931 N ARG A 61 4.559 0.473 5.917 1.00 0.00 N ATOM 932 CA ARG A 61 5.018 -0.828 6.481 1.00 0.00 C ATOM 933 C ARG A 61 4.041 -1.290 7.566 1.00 0.00 C ATOM 934 O ARG A 61 3.803 -2.467 7.740 1.00 0.00 O ATOM 935 CB ARG A 61 6.411 -0.656 7.091 1.00 0.00 C ATOM 936 CG ARG A 61 6.936 -2.014 7.557 1.00 0.00 C ATOM 937 CD ARG A 61 8.262 -2.319 6.855 1.00 0.00 C ATOM 938 NE ARG A 61 9.369 -2.290 7.852 1.00 0.00 N ATOM 939 CZ ARG A 61 9.904 -3.406 8.266 1.00 0.00 C ATOM 940 NH1 ARG A 61 10.492 -4.203 7.416 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.850 -3.727 9.530 1.00 0.00 N ATOM 0 H ARG A 61 5.183 1.262 6.085 1.00 0.00 H new ATOM 0 HA ARG A 61 5.057 -1.573 5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.090 -0.224 6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.368 0.037 7.931 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.077 -2.009 8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.207 -2.793 7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.216 -3.297 6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.447 -1.587 6.069 1.00 0.00 H new ATOM 0 HE ARG A 61 9.709 -1.398 8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.533 -3.954 6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.910 -5.075 7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.389 -3.105 10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.268 -4.599 9.853 1.00 0.00 H new ATOM 955 N ASP A 62 3.474 -0.368 8.296 1.00 0.00 N ATOM 956 CA ASP A 62 2.514 -0.751 9.371 1.00 0.00 C ATOM 957 C ASP A 62 1.311 -1.474 8.758 1.00 0.00 C ATOM 958 O ASP A 62 0.511 -2.065 9.457 1.00 0.00 O ATOM 959 CB ASP A 62 2.035 0.508 10.097 1.00 0.00 C ATOM 960 CG ASP A 62 1.851 0.201 11.584 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.570 -0.943 11.903 1.00 0.00 O ATOM 962 OD2 ASP A 62 1.994 1.114 12.381 1.00 0.00 O ATOM 0 H ASP A 62 3.634 0.634 8.194 1.00 0.00 H new ATOM 0 HA ASP A 62 3.011 -1.415 10.078 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.759 1.313 9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.095 0.853 9.667 1.00 0.00 H new ATOM 967 N ARG A 63 1.177 -1.435 7.462 1.00 0.00 N ATOM 968 CA ARG A 63 0.026 -2.123 6.811 1.00 0.00 C ATOM 969 C ARG A 63 0.556 -3.201 5.865 1.00 0.00 C ATOM 970 O ARG A 63 -0.167 -4.074 5.431 1.00 0.00 O ATOM 971 CB ARG A 63 -0.794 -1.105 6.016 1.00 0.00 C ATOM 972 CG ARG A 63 -2.255 -1.164 6.465 1.00 0.00 C ATOM 973 CD ARG A 63 -2.983 0.100 6.003 1.00 0.00 C ATOM 974 NE ARG A 63 -4.288 0.211 6.716 1.00 0.00 N ATOM 975 CZ ARG A 63 -5.126 -0.789 6.701 1.00 0.00 C ATOM 976 NH1 ARG A 63 -5.916 -0.962 5.677 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.174 -1.615 7.709 1.00 0.00 N ATOM 0 H ARG A 63 1.814 -0.957 6.825 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.606 -2.581 7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.396 -0.102 6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.721 -1.317 4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.739 -2.048 6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.310 -1.252 7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.371 0.979 6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.147 0.065 4.926 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.525 1.068 7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.878 -0.316 4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.571 -1.744 5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.556 -1.479 8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.829 -2.397 7.697 1.00 0.00 H new ATOM 991 N LEU A 64 1.819 -3.141 5.548 1.00 0.00 N ATOM 992 CA LEU A 64 2.416 -4.152 4.632 1.00 0.00 C ATOM 993 C LEU A 64 2.146 -5.562 5.170 1.00 0.00 C ATOM 994 O LEU A 64 2.728 -5.959 6.160 1.00 0.00 O ATOM 995 CB LEU A 64 3.924 -3.924 4.570 1.00 0.00 C ATOM 996 CG LEU A 64 4.444 -4.285 3.181 1.00 0.00 C ATOM 997 CD1 LEU A 64 5.941 -3.991 3.118 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.204 -5.773 2.918 1.00 0.00 C ATOM 0 H LEU A 64 2.468 -2.430 5.886 1.00 0.00 H new ATOM 0 HA LEU A 64 1.975 -4.054 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.153 -2.882 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.424 -4.531 5.325 1.00 0.00 H new ATOM 0 HG LEU A 64 3.921 -3.697 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.321 -4.246 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.112 -2.932 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.460 -4.585 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.575 -6.032 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.730 -6.364 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.136 -5.984 2.972 1.00 0.00 H new ATOM 1010 N PRO A 65 1.280 -6.285 4.504 1.00 0.00 N ATOM 1011 CA PRO A 65 0.950 -7.640 4.912 1.00 0.00 C ATOM 1012 C PRO A 65 2.237 -8.445 5.119 1.00 0.00 C ATOM 1013 O PRO A 65 2.652 -8.686 6.234 1.00 0.00 O ATOM 1014 CB PRO A 65 0.118 -8.199 3.759 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.478 -6.921 3.088 1.00 0.00 C ATOM 1016 CD PRO A 65 0.577 -5.799 3.307 1.00 0.00 C ATOM 0 HA PRO A 65 0.403 -7.683 5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.731 -8.770 3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.665 -8.867 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.660 -7.085 2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.434 -6.653 3.537 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.246 -5.693 2.453 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.113 -4.826 3.471 1.00 0.00 H new ATOM 1024 N GLU A 66 2.873 -8.856 4.054 1.00 0.00 N ATOM 1025 CA GLU A 66 4.130 -9.639 4.186 1.00 0.00 C ATOM 1026 C GLU A 66 4.592 -10.072 2.795 1.00 0.00 C ATOM 1027 O GLU A 66 5.770 -10.170 2.519 1.00 0.00 O ATOM 1028 CB GLU A 66 3.859 -10.881 5.029 1.00 0.00 C ATOM 1029 CG GLU A 66 5.161 -11.363 5.669 1.00 0.00 C ATOM 1030 CD GLU A 66 4.879 -11.863 7.087 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.880 -11.046 7.993 1.00 0.00 O ATOM 1032 OE2 GLU A 66 4.666 -13.054 7.243 1.00 0.00 O ATOM 0 H GLU A 66 2.572 -8.681 3.095 1.00 0.00 H new ATOM 0 HA GLU A 66 4.899 -9.030 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.125 -10.655 5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.435 -11.669 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.599 -12.162 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.888 -10.551 5.696 1.00 0.00 H new ATOM 1039 N LYS A 67 3.665 -10.332 1.915 1.00 0.00 N ATOM 1040 CA LYS A 67 4.036 -10.773 0.537 1.00 0.00 C ATOM 1041 C LYS A 67 4.624 -9.610 -0.275 1.00 0.00 C ATOM 1042 O LYS A 67 4.831 -9.729 -1.466 1.00 0.00 O ATOM 1043 CB LYS A 67 2.789 -11.304 -0.174 1.00 0.00 C ATOM 1044 CG LYS A 67 3.206 -12.072 -1.429 1.00 0.00 C ATOM 1045 CD LYS A 67 1.962 -12.623 -2.128 1.00 0.00 C ATOM 1046 CE LYS A 67 1.636 -11.758 -3.347 1.00 0.00 C ATOM 1047 NZ LYS A 67 1.478 -12.629 -4.547 1.00 0.00 N ATOM 0 H LYS A 67 2.663 -10.258 2.090 1.00 0.00 H new ATOM 0 HA LYS A 67 4.790 -11.556 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.226 -11.956 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.131 -10.478 -0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.755 -11.415 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.878 -12.888 -1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.132 -13.655 -2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.118 -12.631 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.720 -11.193 -3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.431 -11.032 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.256 -12.041 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.363 -13.149 -4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.705 -13.305 -4.386 1.00 0.00 H new ATOM 1061 N LEU A 68 4.897 -8.493 0.342 1.00 0.00 N ATOM 1062 CA LEU A 68 5.472 -7.350 -0.425 1.00 0.00 C ATOM 1063 C LEU A 68 6.627 -6.729 0.363 1.00 0.00 C ATOM 1064 O LEU A 68 7.224 -5.759 -0.059 1.00 0.00 O ATOM 1065 CB LEU A 68 4.395 -6.285 -0.665 1.00 0.00 C ATOM 1066 CG LEU A 68 3.009 -6.930 -0.647 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.417 -6.823 0.757 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.098 -6.204 -1.640 1.00 0.00 C ATOM 0 H LEU A 68 4.748 -8.322 1.337 1.00 0.00 H new ATOM 0 HA LEU A 68 5.838 -7.717 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.456 -5.514 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.564 -5.794 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 68 3.092 -7.980 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.429 -7.283 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.066 -7.337 1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.333 -5.773 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.109 -6.662 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.015 -5.155 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.521 -6.277 -2.642 1.00 0.00 H new ATOM 1080 N ARG A 69 6.949 -7.276 1.505 1.00 0.00 N ATOM 1081 CA ARG A 69 8.065 -6.705 2.309 1.00 0.00 C ATOM 1082 C ARG A 69 9.322 -6.614 1.443 1.00 0.00 C ATOM 1083 O ARG A 69 9.909 -5.561 1.295 1.00 0.00 O ATOM 1084 CB ARG A 69 8.338 -7.605 3.515 1.00 0.00 C ATOM 1085 CG ARG A 69 8.324 -6.766 4.794 1.00 0.00 C ATOM 1086 CD ARG A 69 9.757 -6.576 5.296 1.00 0.00 C ATOM 1087 NE ARG A 69 10.190 -7.794 6.035 1.00 0.00 N ATOM 1088 CZ ARG A 69 11.460 -8.068 6.156 1.00 0.00 C ATOM 1089 NH1 ARG A 69 12.236 -8.040 5.106 1.00 0.00 N ATOM 1090 NH2 ARG A 69 11.956 -8.368 7.325 1.00 0.00 N ATOM 0 H ARG A 69 6.489 -8.090 1.913 1.00 0.00 H new ATOM 0 HA ARG A 69 7.791 -5.709 2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.584 -8.390 3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.303 -8.099 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.864 -5.797 4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.722 -7.258 5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.426 -6.390 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.813 -5.704 5.947 1.00 0.00 H new ATOM 0 HE ARG A 69 9.493 -8.415 6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.849 -7.804 4.192 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.229 -8.254 5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.351 -8.389 8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.949 -8.582 7.418 1.00 0.00 H new ATOM 1104 N TYR A 70 9.740 -7.709 0.869 1.00 0.00 N ATOM 1105 CA TYR A 70 10.959 -7.679 0.013 1.00 0.00 C ATOM 1106 C TYR A 70 10.905 -6.456 -0.902 1.00 0.00 C ATOM 1107 O TYR A 70 11.894 -5.783 -1.116 1.00 0.00 O ATOM 1108 CB TYR A 70 11.018 -8.948 -0.838 1.00 0.00 C ATOM 1109 CG TYR A 70 9.693 -9.156 -1.532 1.00 0.00 C ATOM 1110 CD1 TYR A 70 8.682 -9.895 -0.907 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.478 -8.612 -2.805 1.00 0.00 C ATOM 1112 CE1 TYR A 70 7.456 -10.090 -1.554 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.252 -8.807 -3.451 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.241 -9.546 -2.826 1.00 0.00 C ATOM 1115 OH TYR A 70 6.032 -9.739 -3.464 1.00 0.00 O ATOM 0 H TYR A 70 9.291 -8.621 0.956 1.00 0.00 H new ATOM 0 HA TYR A 70 11.846 -7.625 0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.817 -8.867 -1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.250 -9.808 -0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.848 -10.315 0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.258 -8.042 -3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.676 -10.660 -1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.086 -8.387 -4.432 1.00 0.00 H new ATOM 0 HH TYR A 70 5.312 -9.347 -2.927 1.00 0.00 H new ATOM 1125 N LEU A 71 9.754 -6.160 -1.439 1.00 0.00 N ATOM 1126 CA LEU A 71 9.628 -4.977 -2.335 1.00 0.00 C ATOM 1127 C LEU A 71 9.903 -3.711 -1.528 1.00 0.00 C ATOM 1128 O LEU A 71 10.622 -2.829 -1.957 1.00 0.00 O ATOM 1129 CB LEU A 71 8.211 -4.927 -2.898 1.00 0.00 C ATOM 1130 CG LEU A 71 8.113 -5.839 -4.119 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.719 -6.466 -4.180 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.356 -5.015 -5.380 1.00 0.00 C ATOM 0 H LEU A 71 8.893 -6.688 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 71 10.343 -5.050 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.496 -5.241 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.954 -3.904 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 71 8.860 -6.629 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.650 -7.117 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.543 -7.050 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.969 -5.679 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.287 -5.661 -6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.606 -4.227 -5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.349 -4.567 -5.336 1.00 0.00 H new ATOM 1144 N ALA A 72 9.344 -3.620 -0.353 1.00 0.00 N ATOM 1145 CA ALA A 72 9.579 -2.421 0.494 1.00 0.00 C ATOM 1146 C ALA A 72 11.003 -2.471 1.051 1.00 0.00 C ATOM 1147 O ALA A 72 11.443 -1.572 1.740 1.00 0.00 O ATOM 1148 CB ALA A 72 8.578 -2.412 1.651 1.00 0.00 C ATOM 0 H ALA A 72 8.733 -4.327 0.057 1.00 0.00 H new ATOM 0 HA ALA A 72 9.451 -1.518 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.749 -1.533 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.563 -2.384 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.708 -3.312 2.251 1.00 0.00 H new ATOM 1154 N ASP A 73 11.729 -3.518 0.758 1.00 0.00 N ATOM 1155 CA ASP A 73 13.123 -3.624 1.271 1.00 0.00 C ATOM 1156 C ASP A 73 14.094 -3.112 0.207 1.00 0.00 C ATOM 1157 O ASP A 73 15.223 -2.765 0.496 1.00 0.00 O ATOM 1158 CB ASP A 73 13.440 -5.088 1.587 1.00 0.00 C ATOM 1159 CG ASP A 73 12.999 -5.409 3.017 1.00 0.00 C ATOM 1160 OD1 ASP A 73 11.895 -5.033 3.374 1.00 0.00 O ATOM 1161 OD2 ASP A 73 13.775 -6.023 3.731 1.00 0.00 O ATOM 0 H ASP A 73 11.416 -4.302 0.186 1.00 0.00 H new ATOM 0 HA ASP A 73 13.225 -3.026 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.928 -5.742 0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.508 -5.272 1.475 1.00 0.00 H new ATOM 1166 N ALA A 74 13.663 -3.060 -1.024 1.00 0.00 N ATOM 1167 CA ALA A 74 14.559 -2.570 -2.107 1.00 0.00 C ATOM 1168 C ALA A 74 14.778 -1.063 -1.946 1.00 0.00 C ATOM 1169 O ALA A 74 13.981 -0.386 -1.327 1.00 0.00 O ATOM 1170 CB ALA A 74 13.912 -2.843 -3.466 1.00 0.00 C ATOM 0 H ALA A 74 12.728 -3.336 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 74 15.516 -3.087 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.567 -2.484 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.752 -3.915 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.955 -2.325 -3.524 1.00 0.00 H new ATOM 1176 N PRO A 75 15.855 -0.580 -2.514 1.00 0.00 N ATOM 1177 CA PRO A 75 16.189 0.834 -2.450 1.00 0.00 C ATOM 1178 C PRO A 75 14.972 1.679 -2.841 1.00 0.00 C ATOM 1179 O PRO A 75 13.968 1.163 -3.290 1.00 0.00 O ATOM 1180 CB PRO A 75 17.315 1.005 -3.463 1.00 0.00 C ATOM 1181 CG PRO A 75 17.961 -0.416 -3.537 1.00 0.00 C ATOM 1182 CD PRO A 75 16.807 -1.420 -3.258 1.00 0.00 C ATOM 0 HA PRO A 75 16.485 1.154 -1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.936 1.324 -4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.035 1.756 -3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.405 -0.593 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.758 -0.522 -2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.374 -1.813 -4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.142 -2.276 -2.673 1.00 0.00 H new ATOM 1190 N GLN A 76 15.051 2.970 -2.672 1.00 0.00 N ATOM 1191 CA GLN A 76 13.893 3.837 -3.034 1.00 0.00 C ATOM 1192 C GLN A 76 14.393 5.092 -3.752 1.00 0.00 C ATOM 1193 O GLN A 76 13.802 6.149 -3.653 1.00 0.00 O ATOM 1194 CB GLN A 76 13.144 4.241 -1.763 1.00 0.00 C ATOM 1195 CG GLN A 76 14.091 5.001 -0.831 1.00 0.00 C ATOM 1196 CD GLN A 76 13.792 4.621 0.621 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.667 4.314 0.961 1.00 0.00 O ATOM 1198 NE2 GLN A 76 14.759 4.628 1.496 1.00 0.00 N ATOM 0 H GLN A 76 15.864 3.461 -2.300 1.00 0.00 H new ATOM 0 HA GLN A 76 13.222 3.287 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.287 4.866 -2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.755 3.355 -1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 76 15.126 4.763 -1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.970 6.075 -0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 76 15.704 4.886 1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.571 4.376 2.466 1.00 0.00 H new ATOM 1207 N GLN A 77 15.472 4.986 -4.480 1.00 0.00 N ATOM 1208 CA GLN A 77 16.001 6.177 -5.203 1.00 0.00 C ATOM 1209 C GLN A 77 17.386 5.861 -5.768 1.00 0.00 C ATOM 1210 O GLN A 77 17.801 6.421 -6.760 1.00 0.00 O ATOM 1211 CB GLN A 77 16.105 7.358 -4.237 1.00 0.00 C ATOM 1212 CG GLN A 77 16.753 6.894 -2.931 1.00 0.00 C ATOM 1213 CD GLN A 77 17.070 8.110 -2.058 1.00 0.00 C ATOM 1214 OE1 GLN A 77 16.192 8.662 -1.425 1.00 0.00 O ATOM 1215 NE2 GLN A 77 18.297 8.550 -1.995 1.00 0.00 N ATOM 0 H GLN A 77 16.009 4.128 -4.605 1.00 0.00 H new ATOM 0 HA GLN A 77 15.325 6.432 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.696 8.157 -4.685 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.114 7.767 -4.038 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.083 6.217 -2.401 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.666 6.338 -3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 77 19.033 8.086 -2.527 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.520 9.358 -1.414 1.00 0.00 H new ATOM 1224 N ASP A 78 18.103 4.967 -5.142 1.00 0.00 N ATOM 1225 CA ASP A 78 19.463 4.607 -5.635 1.00 0.00 C ATOM 1226 C ASP A 78 20.479 5.662 -5.149 1.00 0.00 C ATOM 1227 O ASP A 78 20.100 6.726 -4.703 1.00 0.00 O ATOM 1228 CB ASP A 78 19.428 4.485 -7.179 1.00 0.00 C ATOM 1229 CG ASP A 78 20.246 5.588 -7.863 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.759 6.704 -7.938 1.00 0.00 O ATOM 1231 OD2 ASP A 78 21.344 5.294 -8.307 1.00 0.00 O ATOM 0 H ASP A 78 17.803 4.468 -4.305 1.00 0.00 H new ATOM 0 HA ASP A 78 19.778 3.643 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 78 19.816 3.510 -7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.395 4.534 -7.523 1.00 0.00 H new ATOM 1236 N PRO A 79 21.743 5.314 -5.230 1.00 0.00 N ATOM 1237 CA PRO A 79 22.838 6.182 -4.784 1.00 0.00 C ATOM 1238 C PRO A 79 22.688 7.632 -5.277 1.00 0.00 C ATOM 1239 O PRO A 79 23.337 8.526 -4.772 1.00 0.00 O ATOM 1240 CB PRO A 79 24.087 5.543 -5.376 1.00 0.00 C ATOM 1241 CG PRO A 79 23.699 4.037 -5.514 1.00 0.00 C ATOM 1242 CD PRO A 79 22.166 4.015 -5.780 1.00 0.00 C ATOM 0 HA PRO A 79 22.864 6.256 -3.697 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.343 5.981 -6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.952 5.676 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.244 3.566 -6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.946 3.485 -4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.937 3.927 -6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.676 3.180 -5.278 1.00 0.00 H new ATOM 1250 N GLU A 80 21.857 7.880 -6.248 1.00 0.00 N ATOM 1251 CA GLU A 80 21.700 9.277 -6.748 1.00 0.00 C ATOM 1252 C GLU A 80 20.611 9.991 -5.943 1.00 0.00 C ATOM 1253 O GLU A 80 20.871 10.963 -5.263 1.00 0.00 O ATOM 1254 CB GLU A 80 21.304 9.247 -8.226 1.00 0.00 C ATOM 1255 CG GLU A 80 21.487 10.641 -8.831 1.00 0.00 C ATOM 1256 CD GLU A 80 22.978 10.977 -8.898 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.776 10.057 -8.830 1.00 0.00 O ATOM 1258 OE2 GLU A 80 23.295 12.149 -9.017 1.00 0.00 O ATOM 0 H GLU A 80 21.281 7.181 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 80 22.643 9.811 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.916 8.522 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.267 8.927 -8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.050 10.676 -9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.963 11.382 -8.228 1.00 0.00 H new ATOM 1265 N GLY A 81 19.397 9.518 -6.010 1.00 0.00 N ATOM 1266 CA GLY A 81 18.304 10.178 -5.239 1.00 0.00 C ATOM 1267 C GLY A 81 17.144 10.536 -6.174 1.00 0.00 C ATOM 1268 O GLY A 81 16.363 11.423 -5.892 1.00 0.00 O ATOM 0 H GLY A 81 19.115 8.708 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.953 9.514 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.682 11.078 -4.754 1.00 0.00 H new ATOM 1272 N ASN A 82 17.021 9.856 -7.281 1.00 0.00 N ATOM 1273 CA ASN A 82 15.906 10.165 -8.222 1.00 0.00 C ATOM 1274 C ASN A 82 14.688 9.317 -7.851 1.00 0.00 C ATOM 1275 O ASN A 82 13.747 9.199 -8.610 1.00 0.00 O ATOM 1276 CB ASN A 82 16.331 9.840 -9.659 1.00 0.00 C ATOM 1277 CG ASN A 82 17.852 9.958 -9.792 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.403 11.033 -9.660 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.556 8.891 -10.050 1.00 0.00 N ATOM 0 H ASN A 82 17.642 9.102 -7.574 1.00 0.00 H new ATOM 0 HA ASN A 82 15.657 11.224 -8.153 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.011 8.832 -9.923 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.842 10.522 -10.355 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.570 8.959 -10.141 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.093 7.989 -10.161 1.00 0.00 H new ATOM 1286 N LYS A 83 14.704 8.725 -6.688 1.00 0.00 N ATOM 1287 CA LYS A 83 13.560 7.882 -6.257 1.00 0.00 C ATOM 1288 C LYS A 83 13.355 6.738 -7.239 1.00 0.00 C ATOM 1289 O LYS A 83 13.437 6.903 -8.439 1.00 0.00 O ATOM 1290 CB LYS A 83 12.296 8.717 -6.192 1.00 0.00 C ATOM 1291 CG LYS A 83 12.364 9.621 -4.967 1.00 0.00 C ATOM 1292 CD LYS A 83 10.982 9.715 -4.326 1.00 0.00 C ATOM 1293 CE LYS A 83 10.473 11.156 -4.412 1.00 0.00 C ATOM 1294 NZ LYS A 83 9.095 11.231 -3.849 1.00 0.00 N ATOM 0 H LYS A 83 15.468 8.792 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 83 13.779 7.476 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.193 9.316 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.420 8.071 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.083 9.226 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.712 10.613 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.289 9.043 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.031 9.397 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.139 11.821 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.472 11.491 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.945 12.168 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.401 11.081 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.977 10.497 -3.122 1.00 0.00 H new ATOM 1308 N THR A 84 13.076 5.582 -6.725 1.00 0.00 N ATOM 1309 CA THR A 84 12.845 4.401 -7.608 1.00 0.00 C ATOM 1310 C THR A 84 11.599 3.660 -7.136 1.00 0.00 C ATOM 1311 O THR A 84 11.300 3.616 -5.959 1.00 0.00 O ATOM 1312 CB THR A 84 14.043 3.451 -7.549 1.00 0.00 C ATOM 1313 OG1 THR A 84 13.794 2.328 -8.383 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.253 2.976 -6.113 1.00 0.00 C ATOM 0 H THR A 84 12.996 5.396 -5.725 1.00 0.00 H new ATOM 0 HA THR A 84 12.714 4.746 -8.634 1.00 0.00 H new ATOM 0 HB THR A 84 14.936 3.974 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 84 14.646 1.960 -8.699 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.107 2.300 -6.075 1.00 0.00 H new ATOM 0 HG22 THR A 84 14.442 3.835 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 84 13.361 2.454 -5.768 1.00 0.00 H new ATOM 1322 N MET A 85 10.875 3.070 -8.042 1.00 0.00 N ATOM 1323 CA MET A 85 9.650 2.329 -7.635 1.00 0.00 C ATOM 1324 C MET A 85 9.876 0.828 -7.837 1.00 0.00 C ATOM 1325 O MET A 85 10.923 0.399 -8.279 1.00 0.00 O ATOM 1326 CB MET A 85 8.448 2.826 -8.463 1.00 0.00 C ATOM 1327 CG MET A 85 7.966 1.744 -9.439 1.00 0.00 C ATOM 1328 SD MET A 85 6.812 2.470 -10.622 1.00 0.00 S ATOM 1329 CE MET A 85 8.064 3.264 -11.650 1.00 0.00 C ATOM 0 H MET A 85 11.076 3.068 -9.042 1.00 0.00 H new ATOM 0 HA MET A 85 9.436 2.508 -6.581 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.634 3.107 -7.795 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.729 3.721 -9.017 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.816 1.309 -9.964 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.481 0.935 -8.892 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.054 4.339 -11.470 1.00 0.00 H new ATOM 0 HE2 MET A 85 9.047 2.863 -11.401 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.848 3.070 -12.701 1.00 0.00 H new ATOM 1339 N VAL A 86 8.892 0.034 -7.524 1.00 0.00 N ATOM 1340 CA VAL A 86 9.037 -1.439 -7.698 1.00 0.00 C ATOM 1341 C VAL A 86 8.443 -1.873 -9.032 1.00 0.00 C ATOM 1342 O VAL A 86 7.245 -2.007 -9.185 1.00 0.00 O ATOM 1343 CB VAL A 86 8.326 -2.179 -6.569 1.00 0.00 C ATOM 1344 CG1 VAL A 86 9.304 -2.381 -5.415 1.00 0.00 C ATOM 1345 CG2 VAL A 86 7.123 -1.363 -6.091 1.00 0.00 C ATOM 0 H VAL A 86 7.992 0.341 -7.155 1.00 0.00 H new ATOM 0 HA VAL A 86 10.099 -1.682 -7.677 1.00 0.00 H new ATOM 0 HB VAL A 86 7.976 -3.147 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 86 8.804 -2.909 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.156 -2.967 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.651 -1.411 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.619 -1.896 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.462 -0.393 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.429 -1.218 -6.919 1.00 0.00 H new ATOM 1355 N ARG A 87 9.282 -2.111 -9.992 1.00 0.00 N ATOM 1356 CA ARG A 87 8.795 -2.557 -11.322 1.00 0.00 C ATOM 1357 C ARG A 87 8.704 -4.085 -11.322 1.00 0.00 C ATOM 1358 O ARG A 87 8.911 -4.726 -10.310 1.00 0.00 O ATOM 1359 CB ARG A 87 9.780 -2.118 -12.405 1.00 0.00 C ATOM 1360 CG ARG A 87 10.286 -0.709 -12.100 1.00 0.00 C ATOM 1361 CD ARG A 87 9.196 0.303 -12.447 1.00 0.00 C ATOM 1362 NE ARG A 87 9.822 1.581 -12.884 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.619 2.030 -14.091 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.460 1.857 -14.665 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.575 2.651 -14.727 1.00 0.00 N ATOM 0 H ARG A 87 10.294 -2.015 -9.913 1.00 0.00 H new ATOM 0 HA ARG A 87 7.818 -2.118 -11.522 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.618 -2.814 -12.452 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.295 -2.137 -13.381 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.554 -0.626 -11.047 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.188 -0.501 -12.675 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.559 -0.091 -13.239 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.558 0.477 -11.581 1.00 0.00 H new ATOM 0 HE ARG A 87 10.411 2.106 -12.238 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.713 1.371 -14.169 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.301 2.208 -15.609 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.482 2.785 -14.280 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.415 3.002 -15.671 1.00 0.00 H new ATOM 1379 N PHE A 88 8.406 -4.680 -12.445 1.00 0.00 N ATOM 1380 CA PHE A 88 8.317 -6.167 -12.487 1.00 0.00 C ATOM 1381 C PHE A 88 9.080 -6.699 -13.699 1.00 0.00 C ATOM 1382 O PHE A 88 9.140 -6.069 -14.736 1.00 0.00 O ATOM 1383 CB PHE A 88 6.853 -6.597 -12.587 1.00 0.00 C ATOM 1384 CG PHE A 88 6.778 -8.106 -12.591 1.00 0.00 C ATOM 1385 CD1 PHE A 88 7.173 -8.827 -11.458 1.00 0.00 C ATOM 1386 CD2 PHE A 88 6.316 -8.783 -13.725 1.00 0.00 C ATOM 1387 CE1 PHE A 88 7.106 -10.225 -11.460 1.00 0.00 C ATOM 1388 CE2 PHE A 88 6.249 -10.182 -13.727 1.00 0.00 C ATOM 1389 CZ PHE A 88 6.644 -10.903 -12.594 1.00 0.00 C ATOM 0 H PHE A 88 8.222 -4.205 -13.329 1.00 0.00 H new ATOM 0 HA PHE A 88 8.755 -6.572 -11.574 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.285 -6.195 -11.748 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.405 -6.196 -13.496 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.529 -8.305 -10.583 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.011 -8.227 -14.599 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.411 -10.781 -10.586 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.893 -10.704 -14.603 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.592 -11.982 -12.595 1.00 0.00 H new ATOM 1399 N SER A 89 9.659 -7.860 -13.575 1.00 0.00 N ATOM 1400 CA SER A 89 10.413 -8.447 -14.716 1.00 0.00 C ATOM 1401 C SER A 89 9.868 -9.846 -15.005 1.00 0.00 C ATOM 1402 O SER A 89 9.673 -10.643 -14.109 1.00 0.00 O ATOM 1403 CB SER A 89 11.896 -8.539 -14.354 1.00 0.00 C ATOM 1404 OG SER A 89 12.144 -7.768 -13.187 1.00 0.00 O ATOM 0 H SER A 89 9.642 -8.430 -12.729 1.00 0.00 H new ATOM 0 HA SER A 89 10.297 -7.818 -15.598 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.176 -9.578 -14.183 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.507 -8.176 -15.180 1.00 0.00 H new ATOM 0 HG SER A 89 12.876 -8.173 -12.677 1.00 0.00 H new ATOM 1410 N ARG A 90 9.615 -10.150 -16.249 1.00 0.00 N ATOM 1411 CA ARG A 90 9.078 -11.497 -16.589 1.00 0.00 C ATOM 1412 C ARG A 90 10.241 -12.457 -16.839 1.00 0.00 C ATOM 1413 O ARG A 90 10.087 -13.661 -16.782 1.00 0.00 O ATOM 1414 CB ARG A 90 8.215 -11.399 -17.848 1.00 0.00 C ATOM 1415 CG ARG A 90 7.173 -10.293 -17.669 1.00 0.00 C ATOM 1416 CD ARG A 90 7.344 -9.246 -18.771 1.00 0.00 C ATOM 1417 NE ARG A 90 6.435 -8.096 -18.508 1.00 0.00 N ATOM 1418 CZ ARG A 90 6.466 -7.048 -19.286 1.00 0.00 C ATOM 1419 NH1 ARG A 90 6.868 -7.165 -20.522 1.00 0.00 N ATOM 1420 NH2 ARG A 90 6.096 -5.883 -18.828 1.00 0.00 N ATOM 0 H ARG A 90 9.757 -9.525 -17.042 1.00 0.00 H new ATOM 0 HA ARG A 90 8.471 -11.868 -15.763 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.841 -11.187 -18.715 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.720 -12.352 -18.038 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.169 -10.715 -17.707 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.286 -9.827 -16.690 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.379 -8.905 -18.806 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.120 -9.686 -19.743 1.00 0.00 H new ATOM 0 HE ARG A 90 5.788 -8.127 -17.720 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.158 -8.075 -20.880 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.892 -6.346 -21.130 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.782 -5.791 -17.862 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.120 -5.065 -19.436 1.00 0.00 H new ATOM 1434 N LYS A 91 11.405 -11.935 -17.110 1.00 0.00 N ATOM 1435 CA LYS A 91 12.575 -12.821 -17.355 1.00 0.00 C ATOM 1436 C LYS A 91 12.829 -13.669 -16.109 1.00 0.00 C ATOM 1437 O LYS A 91 13.461 -14.705 -16.167 1.00 0.00 O ATOM 1438 CB LYS A 91 13.810 -11.968 -17.655 1.00 0.00 C ATOM 1439 CG LYS A 91 13.513 -11.036 -18.830 1.00 0.00 C ATOM 1440 CD LYS A 91 13.673 -9.582 -18.382 1.00 0.00 C ATOM 1441 CE LYS A 91 12.378 -8.817 -18.660 1.00 0.00 C ATOM 1442 NZ LYS A 91 12.178 -8.698 -20.133 1.00 0.00 N ATOM 0 H LYS A 91 11.596 -10.935 -17.172 1.00 0.00 H new ATOM 0 HA LYS A 91 12.372 -13.471 -18.207 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.085 -11.386 -16.776 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.659 -12.609 -17.891 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.190 -11.249 -19.657 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.500 -11.206 -19.195 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.910 -9.542 -17.319 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.504 -9.116 -18.912 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.532 -9.336 -18.208 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.424 -7.827 -18.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.455 -7.976 -20.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.074 -8.422 -20.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.866 -9.613 -20.516 1.00 0.00 H new ATOM 1456 N THR A 92 12.339 -13.236 -14.978 1.00 0.00 N ATOM 1457 CA THR A 92 12.552 -14.018 -13.728 1.00 0.00 C ATOM 1458 C THR A 92 11.324 -13.887 -12.825 1.00 0.00 C ATOM 1459 O THR A 92 11.351 -14.260 -11.670 1.00 0.00 O ATOM 1460 CB THR A 92 13.780 -13.476 -12.990 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.666 -12.066 -12.859 1.00 0.00 O ATOM 1462 CG2 THR A 92 15.043 -13.816 -13.779 1.00 0.00 C ATOM 0 H THR A 92 11.802 -12.376 -14.867 1.00 0.00 H new ATOM 0 HA THR A 92 12.709 -15.067 -13.981 1.00 0.00 H new ATOM 0 HB THR A 92 13.840 -13.930 -12.001 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.055 -11.784 -12.005 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.916 -13.430 -13.253 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.129 -14.898 -13.879 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.987 -13.363 -14.769 1.00 0.00 H new ATOM 1470 N LYS A 93 10.246 -13.357 -13.337 1.00 0.00 N ATOM 1471 CA LYS A 93 9.026 -13.203 -12.498 1.00 0.00 C ATOM 1472 C LYS A 93 9.427 -12.636 -11.135 1.00 0.00 C ATOM 1473 O LYS A 93 9.073 -13.168 -10.102 1.00 0.00 O ATOM 1474 CB LYS A 93 8.359 -14.567 -12.309 1.00 0.00 C ATOM 1475 CG LYS A 93 8.323 -15.308 -13.647 1.00 0.00 C ATOM 1476 CD LYS A 93 6.925 -15.887 -13.873 1.00 0.00 C ATOM 1477 CE LYS A 93 6.632 -16.946 -12.808 1.00 0.00 C ATOM 1478 NZ LYS A 93 5.481 -17.785 -13.245 1.00 0.00 N ATOM 0 H LYS A 93 10.159 -13.025 -14.298 1.00 0.00 H new ATOM 0 HA LYS A 93 8.326 -12.526 -12.987 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.908 -15.153 -11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.347 -14.439 -11.925 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.582 -14.628 -14.458 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.064 -16.107 -13.652 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.179 -15.093 -13.826 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.859 -16.328 -14.867 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.511 -17.570 -12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.405 -16.466 -11.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.282 -18.505 -12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.643 -17.184 -13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.714 -18.253 -14.144 1.00 0.00 H new ATOM 1492 N GLN A 94 10.167 -11.560 -11.126 1.00 0.00 N ATOM 1493 CA GLN A 94 10.595 -10.962 -9.829 1.00 0.00 C ATOM 1494 C GLN A 94 10.280 -9.464 -9.828 1.00 0.00 C ATOM 1495 O GLN A 94 9.634 -8.956 -10.722 1.00 0.00 O ATOM 1496 CB GLN A 94 12.101 -11.160 -9.651 1.00 0.00 C ATOM 1497 CG GLN A 94 12.390 -12.630 -9.347 1.00 0.00 C ATOM 1498 CD GLN A 94 13.803 -12.980 -9.815 1.00 0.00 C ATOM 1499 OE1 GLN A 94 14.571 -12.109 -10.172 1.00 0.00 O ATOM 1500 NE2 GLN A 94 14.183 -14.230 -9.829 1.00 0.00 N ATOM 0 H GLN A 94 10.493 -11.070 -11.959 1.00 0.00 H new ATOM 0 HA GLN A 94 10.061 -11.448 -9.012 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.628 -10.854 -10.555 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.468 -10.531 -8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.293 -12.817 -8.278 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.661 -13.266 -9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.539 -14.962 -9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.124 -14.474 -10.139 1.00 0.00 H new ATOM 1509 N GLN A 95 10.734 -8.753 -8.832 1.00 0.00 N ATOM 1510 CA GLN A 95 10.463 -7.290 -8.782 1.00 0.00 C ATOM 1511 C GLN A 95 11.761 -6.520 -9.025 1.00 0.00 C ATOM 1512 O GLN A 95 12.712 -6.636 -8.278 1.00 0.00 O ATOM 1513 CB GLN A 95 9.908 -6.906 -7.406 1.00 0.00 C ATOM 1514 CG GLN A 95 8.803 -7.882 -6.992 1.00 0.00 C ATOM 1515 CD GLN A 95 7.869 -8.140 -8.177 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.839 -9.227 -8.717 1.00 0.00 O ATOM 1517 NE2 GLN A 95 7.099 -7.177 -8.606 1.00 0.00 N ATOM 0 H GLN A 95 11.279 -9.122 -8.053 1.00 0.00 H new ATOM 0 HA GLN A 95 9.733 -7.041 -9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.709 -6.917 -6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.514 -5.890 -7.435 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.242 -8.820 -6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.238 -7.472 -6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.124 -6.264 -8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.472 -7.338 -9.395 1.00 0.00 H new ATOM 1526 N TYR A 96 11.802 -5.719 -10.053 1.00 0.00 N ATOM 1527 CA TYR A 96 13.031 -4.927 -10.327 1.00 0.00 C ATOM 1528 C TYR A 96 12.697 -3.448 -10.120 1.00 0.00 C ATOM 1529 O TYR A 96 11.750 -2.945 -10.676 1.00 0.00 O ATOM 1530 CB TYR A 96 13.512 -5.188 -11.765 1.00 0.00 C ATOM 1531 CG TYR A 96 12.800 -4.281 -12.746 1.00 0.00 C ATOM 1532 CD1 TYR A 96 13.210 -2.950 -12.891 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.741 -4.774 -13.516 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.558 -2.112 -13.803 1.00 0.00 C ATOM 1535 CE2 TYR A 96 11.090 -3.937 -14.429 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.499 -2.606 -14.574 1.00 0.00 C ATOM 1537 OH TYR A 96 10.857 -1.781 -15.475 1.00 0.00 O ATOM 0 H TYR A 96 11.038 -5.579 -10.714 1.00 0.00 H new ATOM 0 HA TYR A 96 13.835 -5.218 -9.651 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.588 -5.025 -11.828 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.331 -6.230 -12.030 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.029 -2.570 -12.299 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.426 -5.801 -13.406 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.872 -1.084 -13.912 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.272 -4.318 -15.022 1.00 0.00 H new ATOM 0 HH TYR A 96 10.147 -2.281 -15.928 1.00 0.00 H new ATOM 1547 N VAL A 97 13.459 -2.755 -9.322 1.00 0.00 N ATOM 1548 CA VAL A 97 13.152 -1.308 -9.071 1.00 0.00 C ATOM 1549 C VAL A 97 13.798 -0.452 -10.154 1.00 0.00 C ATOM 1550 O VAL A 97 14.671 -0.888 -10.872 1.00 0.00 O ATOM 1551 CB VAL A 97 13.703 -0.849 -7.705 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.567 -0.753 -6.690 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.754 -1.831 -7.184 1.00 0.00 C ATOM 0 H VAL A 97 14.277 -3.119 -8.833 1.00 0.00 H new ATOM 0 HA VAL A 97 12.068 -1.192 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 97 14.165 0.129 -7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.965 -0.428 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.827 -0.032 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.097 -1.730 -6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.128 -1.486 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.304 -2.817 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.580 -1.890 -7.893 1.00 0.00 H new ATOM 1563 N SER A 98 13.361 0.768 -10.276 1.00 0.00 N ATOM 1564 CA SER A 98 13.938 1.667 -11.308 1.00 0.00 C ATOM 1565 C SER A 98 13.834 3.115 -10.825 1.00 0.00 C ATOM 1566 O SER A 98 12.755 3.626 -10.593 1.00 0.00 O ATOM 1567 CB SER A 98 13.171 1.490 -12.616 1.00 0.00 C ATOM 1568 OG SER A 98 13.959 0.729 -13.523 1.00 0.00 O ATOM 0 H SER A 98 12.626 1.182 -9.703 1.00 0.00 H new ATOM 0 HA SER A 98 14.986 1.421 -11.476 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.222 0.987 -12.430 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.936 2.463 -13.048 1.00 0.00 H new ATOM 0 HG SER A 98 13.504 0.680 -14.390 1.00 0.00 H new ATOM 1574 N SER A 99 14.947 3.776 -10.660 1.00 0.00 N ATOM 1575 CA SER A 99 14.914 5.186 -10.183 1.00 0.00 C ATOM 1576 C SER A 99 14.194 6.057 -11.215 1.00 0.00 C ATOM 1577 O SER A 99 14.754 6.424 -12.229 1.00 0.00 O ATOM 1578 CB SER A 99 16.343 5.698 -10.000 1.00 0.00 C ATOM 1579 OG SER A 99 17.041 4.840 -9.108 1.00 0.00 O ATOM 0 H SER A 99 15.879 3.399 -10.835 1.00 0.00 H new ATOM 0 HA SER A 99 14.385 5.233 -9.231 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.854 5.734 -10.962 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.329 6.715 -9.608 1.00 0.00 H new ATOM 0 HG SER A 99 16.592 3.969 -9.073 1.00 0.00 H new ATOM 1585 N GLU A 100 12.957 6.391 -10.969 1.00 0.00 N ATOM 1586 CA GLU A 100 12.211 7.237 -11.941 1.00 0.00 C ATOM 1587 C GLU A 100 11.547 8.399 -11.200 1.00 0.00 C ATOM 1588 O GLU A 100 10.880 8.212 -10.202 1.00 0.00 O ATOM 1589 CB GLU A 100 11.138 6.394 -12.633 1.00 0.00 C ATOM 1590 CG GLU A 100 10.333 7.275 -13.591 1.00 0.00 C ATOM 1591 CD GLU A 100 8.860 7.267 -13.178 1.00 0.00 C ATOM 1592 OE1 GLU A 100 8.236 6.226 -13.303 1.00 0.00 O ATOM 1593 OE2 GLU A 100 8.381 8.302 -12.744 1.00 0.00 O ATOM 0 H GLU A 100 12.432 6.115 -10.139 1.00 0.00 H new ATOM 0 HA GLU A 100 12.902 7.629 -12.687 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.602 5.574 -13.180 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.477 5.948 -11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.720 8.294 -13.577 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.437 6.909 -14.612 1.00 0.00 H new ATOM 1600 N LYS A 101 11.725 9.600 -11.679 1.00 0.00 N ATOM 1601 CA LYS A 101 11.105 10.771 -11.000 1.00 0.00 C ATOM 1602 C LYS A 101 10.350 11.625 -12.018 1.00 0.00 C ATOM 1603 O LYS A 101 10.911 12.096 -12.988 1.00 0.00 O ATOM 1604 CB LYS A 101 12.185 11.605 -10.336 1.00 0.00 C ATOM 1605 CG LYS A 101 11.902 11.620 -8.840 1.00 0.00 C ATOM 1606 CD LYS A 101 12.170 13.012 -8.285 1.00 0.00 C ATOM 1607 CE LYS A 101 13.383 12.970 -7.354 1.00 0.00 C ATOM 1608 NZ LYS A 101 14.060 14.299 -7.361 1.00 0.00 N ATOM 0 H LYS A 101 12.273 9.820 -12.511 1.00 0.00 H new ATOM 0 HA LYS A 101 10.405 10.416 -10.244 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.170 11.184 -10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.185 12.619 -10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.867 11.336 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.531 10.888 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.350 13.711 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.296 13.373 -7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.070 12.715 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.077 12.194 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.885 14.272 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.372 14.525 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.396 15.029 -7.032 1.00 0.00 H new ATOM 1622 N ASP A 102 9.078 11.831 -11.805 1.00 0.00 N ATOM 1623 CA ASP A 102 8.284 12.656 -12.760 1.00 0.00 C ATOM 1624 C ASP A 102 7.974 11.835 -14.016 1.00 0.00 C ATOM 1625 O ASP A 102 7.316 12.301 -14.924 1.00 0.00 O ATOM 1626 CB ASP A 102 9.086 13.900 -13.149 1.00 0.00 C ATOM 1627 CG ASP A 102 8.153 15.111 -13.207 1.00 0.00 C ATOM 1628 OD1 ASP A 102 7.620 15.473 -12.171 1.00 0.00 O ATOM 1629 OD2 ASP A 102 7.987 15.656 -14.286 1.00 0.00 O ATOM 0 H ASP A 102 8.555 11.463 -11.011 1.00 0.00 H new ATOM 0 HA ASP A 102 7.350 12.958 -12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.881 14.074 -12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.564 13.749 -14.117 1.00 0.00 H new ATOM 1634 N GLY A 103 8.444 10.619 -14.075 1.00 0.00 N ATOM 1635 CA GLY A 103 8.173 9.775 -15.272 1.00 0.00 C ATOM 1636 C GLY A 103 9.280 9.989 -16.307 1.00 0.00 C ATOM 1637 O GLY A 103 9.079 9.808 -17.492 1.00 0.00 O ATOM 0 H GLY A 103 9.003 10.174 -13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.125 8.724 -14.986 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.205 10.033 -15.701 1.00 0.00 H new ATOM 1641 N LYS A 104 10.447 10.375 -15.869 1.00 0.00 N ATOM 1642 CA LYS A 104 11.564 10.601 -16.827 1.00 0.00 C ATOM 1643 C LYS A 104 12.482 9.377 -16.843 1.00 0.00 C ATOM 1644 O LYS A 104 13.470 9.342 -17.549 1.00 0.00 O ATOM 1645 CB LYS A 104 12.363 11.833 -16.396 1.00 0.00 C ATOM 1646 CG LYS A 104 13.167 11.506 -15.136 1.00 0.00 C ATOM 1647 CD LYS A 104 13.505 12.799 -14.395 1.00 0.00 C ATOM 1648 CE LYS A 104 14.994 12.816 -14.048 1.00 0.00 C ATOM 1649 NZ LYS A 104 15.432 14.218 -13.798 1.00 0.00 N ATOM 0 H LYS A 104 10.674 10.543 -14.889 1.00 0.00 H new ATOM 0 HA LYS A 104 11.158 10.761 -17.826 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.033 12.143 -17.197 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.689 12.668 -16.203 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.594 10.843 -14.488 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.082 10.978 -15.403 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.255 13.661 -15.014 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.908 12.876 -13.486 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.179 12.203 -13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.573 12.383 -14.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.445 14.228 -13.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.269 14.790 -14.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.888 14.616 -13.006 1.00 0.00 H new ATOM 1663 N ALA A 105 12.167 8.373 -16.071 1.00 0.00 N ATOM 1664 CA ALA A 105 13.025 7.156 -16.045 1.00 0.00 C ATOM 1665 C ALA A 105 14.496 7.573 -15.989 1.00 0.00 C ATOM 1666 O ALA A 105 15.135 7.769 -17.003 1.00 0.00 O ATOM 1667 CB ALA A 105 12.776 6.328 -17.307 1.00 0.00 C ATOM 0 H ALA A 105 11.353 8.343 -15.458 1.00 0.00 H new ATOM 0 HA ALA A 105 12.782 6.558 -15.167 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.404 5.437 -17.288 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.728 6.032 -17.347 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.018 6.924 -18.187 1.00 0.00 H new ATOM 1673 N THR A 106 15.038 7.709 -14.810 1.00 0.00 N ATOM 1674 CA THR A 106 16.466 8.114 -14.687 1.00 0.00 C ATOM 1675 C THR A 106 17.353 7.078 -15.380 1.00 0.00 C ATOM 1676 O THR A 106 18.378 7.403 -15.945 1.00 0.00 O ATOM 1677 CB THR A 106 16.843 8.199 -13.206 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.993 6.887 -12.683 1.00 0.00 O ATOM 1679 CG2 THR A 106 15.746 8.936 -12.439 1.00 0.00 C ATOM 0 H THR A 106 14.553 7.557 -13.926 1.00 0.00 H new ATOM 0 HA THR A 106 16.610 9.087 -15.157 1.00 0.00 H new ATOM 0 HB THR A 106 17.782 8.742 -13.099 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.180 6.369 -12.860 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.016 8.995 -11.385 1.00 0.00 H new ATOM 0 HG22 THR A 106 15.634 9.942 -12.842 1.00 0.00 H new ATOM 0 HG23 THR A 106 14.805 8.397 -12.542 1.00 0.00 H new ATOM 1687 N GLY A 107 16.970 5.833 -15.338 1.00 0.00 N ATOM 1688 CA GLY A 107 17.792 4.776 -15.990 1.00 0.00 C ATOM 1689 C GLY A 107 18.166 3.713 -14.957 1.00 0.00 C ATOM 1690 O GLY A 107 18.240 2.539 -15.258 1.00 0.00 O ATOM 0 H GLY A 107 16.122 5.501 -14.879 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.236 4.322 -16.810 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.693 5.214 -16.420 1.00 0.00 H new ATOM 1694 N TRP A 108 18.399 4.117 -13.737 1.00 0.00 N ATOM 1695 CA TRP A 108 18.764 3.130 -12.683 1.00 0.00 C ATOM 1696 C TRP A 108 17.675 2.060 -12.593 1.00 0.00 C ATOM 1697 O TRP A 108 16.498 2.358 -12.568 1.00 0.00 O ATOM 1698 CB TRP A 108 18.890 3.846 -11.336 1.00 0.00 C ATOM 1699 CG TRP A 108 19.455 2.906 -10.319 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.753 2.533 -10.243 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.768 2.219 -9.233 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.907 1.660 -9.180 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.710 1.435 -8.526 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.430 2.198 -8.796 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.340 0.659 -7.427 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.055 1.418 -7.690 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.008 0.651 -7.007 1.00 0.00 C ATOM 0 H TRP A 108 18.352 5.087 -13.426 1.00 0.00 H new ATOM 0 HA TRP A 108 19.715 2.661 -12.934 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.534 4.720 -11.436 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.914 4.205 -11.011 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.541 2.863 -10.904 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.795 1.235 -8.912 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.687 2.786 -9.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.078 0.069 -6.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.025 1.409 -7.364 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.713 0.054 -6.157 1.00 0.00 H new ATOM 1718 N SER A 109 18.058 0.814 -12.545 1.00 0.00 N ATOM 1719 CA SER A 109 17.046 -0.274 -12.456 1.00 0.00 C ATOM 1720 C SER A 109 17.618 -1.433 -11.632 1.00 0.00 C ATOM 1721 O SER A 109 18.421 -2.208 -12.112 1.00 0.00 O ATOM 1722 CB SER A 109 16.708 -0.771 -13.862 1.00 0.00 C ATOM 1723 OG SER A 109 17.912 -1.090 -14.548 1.00 0.00 O ATOM 0 H SER A 109 19.029 0.503 -12.564 1.00 0.00 H new ATOM 0 HA SER A 109 16.144 0.106 -11.977 1.00 0.00 H new ATOM 0 HB2 SER A 109 16.064 -1.649 -13.805 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.156 -0.006 -14.408 1.00 0.00 H new ATOM 0 HG SER A 109 18.502 -1.599 -13.954 1.00 0.00 H new ATOM 1729 N ALA A 110 17.211 -1.560 -10.398 1.00 0.00 N ATOM 1730 CA ALA A 110 17.734 -2.668 -9.550 1.00 0.00 C ATOM 1731 C ALA A 110 16.844 -3.900 -9.723 1.00 0.00 C ATOM 1732 O ALA A 110 15.742 -3.813 -10.225 1.00 0.00 O ATOM 1733 CB ALA A 110 17.733 -2.228 -8.083 1.00 0.00 C ATOM 0 H ALA A 110 16.539 -0.944 -9.941 1.00 0.00 H new ATOM 0 HA ALA A 110 18.752 -2.914 -9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 110 18.115 -3.037 -7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.367 -1.349 -7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.716 -1.984 -7.777 1.00 0.00 H new ATOM 1739 N PHE A 111 17.317 -5.050 -9.325 1.00 0.00 N ATOM 1740 CA PHE A 111 16.495 -6.284 -9.483 1.00 0.00 C ATOM 1741 C PHE A 111 16.437 -7.042 -8.161 1.00 0.00 C ATOM 1742 O PHE A 111 17.340 -6.974 -7.361 1.00 0.00 O ATOM 1743 CB PHE A 111 17.127 -7.188 -10.544 1.00 0.00 C ATOM 1744 CG PHE A 111 17.233 -6.447 -11.853 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.182 -5.429 -12.004 1.00 0.00 C ATOM 1746 CD2 PHE A 111 16.390 -6.784 -12.917 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.286 -4.747 -13.219 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.496 -6.103 -14.134 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.444 -5.084 -14.284 1.00 0.00 C ATOM 0 H PHE A 111 18.233 -5.188 -8.899 1.00 0.00 H new ATOM 0 HA PHE A 111 15.487 -6.001 -9.787 1.00 0.00 H new ATOM 0 HB2 PHE A 111 18.116 -7.510 -10.217 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.525 -8.088 -10.673 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.833 -5.171 -11.182 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.658 -7.569 -12.799 1.00 0.00 H new ATOM 0 HE1 PHE A 111 19.016 -3.960 -13.336 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.847 -6.363 -14.957 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.525 -4.557 -15.223 1.00 0.00 H new ATOM 1759 N TYR A 112 15.386 -7.776 -7.930 1.00 0.00 N ATOM 1760 CA TYR A 112 15.288 -8.548 -6.662 1.00 0.00 C ATOM 1761 C TYR A 112 15.636 -10.010 -6.941 1.00 0.00 C ATOM 1762 O TYR A 112 14.843 -10.749 -7.491 1.00 0.00 O ATOM 1763 CB TYR A 112 13.863 -8.460 -6.114 1.00 0.00 C ATOM 1764 CG TYR A 112 13.842 -8.969 -4.694 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.789 -8.506 -3.773 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.878 -9.902 -4.297 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.771 -8.974 -2.454 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.860 -10.371 -2.978 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.807 -9.906 -2.056 1.00 0.00 C ATOM 1770 OH TYR A 112 13.787 -10.367 -0.756 1.00 0.00 O ATOM 0 H TYR A 112 14.592 -7.875 -8.563 1.00 0.00 H new ATOM 0 HA TYR A 112 15.980 -8.136 -5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.511 -7.429 -6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.186 -9.048 -6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.534 -7.787 -4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.148 -10.260 -5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.501 -8.616 -1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.116 -11.091 -2.671 1.00 0.00 H new ATOM 0 HH TYR A 112 13.054 -11.008 -0.647 1.00 0.00 H new ATOM 1780 N VAL A 113 16.812 -10.439 -6.571 1.00 0.00 N ATOM 1781 CA VAL A 113 17.192 -11.849 -6.822 1.00 0.00 C ATOM 1782 C VAL A 113 16.773 -12.692 -5.616 1.00 0.00 C ATOM 1783 O VAL A 113 15.765 -12.431 -5.001 1.00 0.00 O ATOM 1784 CB VAL A 113 18.704 -11.944 -7.050 1.00 0.00 C ATOM 1785 CG1 VAL A 113 19.016 -13.199 -7.866 1.00 0.00 C ATOM 1786 CG2 VAL A 113 19.189 -10.714 -7.826 1.00 0.00 C ATOM 0 H VAL A 113 17.521 -9.872 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 113 16.689 -12.222 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 113 19.209 -11.991 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 113 20.091 -13.269 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.674 -14.080 -7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.506 -13.144 -8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.265 -10.786 -7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.681 -10.668 -8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.966 -9.813 -7.255 1.00 0.00 H new ATOM 1796 N ASP A 114 17.543 -13.675 -5.251 1.00 0.00 N ATOM 1797 CA ASP A 114 17.173 -14.511 -4.071 1.00 0.00 C ATOM 1798 C ASP A 114 17.307 -13.632 -2.850 1.00 0.00 C ATOM 1799 O ASP A 114 18.354 -13.571 -2.236 1.00 0.00 O ATOM 1800 CB ASP A 114 18.122 -15.706 -3.960 1.00 0.00 C ATOM 1801 CG ASP A 114 17.436 -16.835 -3.189 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.260 -17.059 -3.426 1.00 0.00 O ATOM 1803 OD2 ASP A 114 18.097 -17.457 -2.373 1.00 0.00 O ATOM 0 H ASP A 114 18.412 -13.938 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 114 16.157 -14.894 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.406 -16.051 -4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.039 -15.409 -3.451 1.00 0.00 H new ATOM 1808 N GLY A 115 16.282 -12.887 -2.525 1.00 0.00 N ATOM 1809 CA GLY A 115 16.416 -11.950 -1.385 1.00 0.00 C ATOM 1810 C GLY A 115 17.710 -11.188 -1.639 1.00 0.00 C ATOM 1811 O GLY A 115 18.389 -10.751 -0.731 1.00 0.00 O ATOM 0 H GLY A 115 15.376 -12.890 -2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.564 -11.272 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.456 -12.487 -0.437 1.00 0.00 H new ATOM 1815 N LYS A 116 18.076 -11.079 -2.898 1.00 0.00 N ATOM 1816 CA LYS A 116 19.353 -10.406 -3.246 1.00 0.00 C ATOM 1817 C LYS A 116 19.122 -9.247 -4.212 1.00 0.00 C ATOM 1818 O LYS A 116 19.437 -9.341 -5.380 1.00 0.00 O ATOM 1819 CB LYS A 116 20.289 -11.419 -3.909 1.00 0.00 C ATOM 1820 CG LYS A 116 21.404 -11.794 -2.933 1.00 0.00 C ATOM 1821 CD LYS A 116 22.726 -11.931 -3.692 1.00 0.00 C ATOM 1822 CE LYS A 116 23.893 -11.743 -2.721 1.00 0.00 C ATOM 1823 NZ LYS A 116 23.952 -12.901 -1.784 1.00 0.00 N ATOM 0 H LYS A 116 17.540 -11.429 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 116 19.794 -10.014 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.732 -12.309 -4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.714 -10.996 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 116 21.495 -11.032 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.162 -12.731 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 116 22.786 -12.911 -4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 116 22.779 -11.189 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 116 24.829 -11.660 -3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.769 -10.815 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 24.785 -12.807 -1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.091 -12.920 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 24.022 -13.785 -2.328 1.00 0.00 H new ATOM 1837 N TRP A 117 18.599 -8.145 -3.752 1.00 0.00 N ATOM 1838 CA TRP A 117 18.394 -7.009 -4.686 1.00 0.00 C ATOM 1839 C TRP A 117 19.697 -6.774 -5.457 1.00 0.00 C ATOM 1840 O TRP A 117 20.734 -7.302 -5.107 1.00 0.00 O ATOM 1841 CB TRP A 117 18.012 -5.752 -3.907 1.00 0.00 C ATOM 1842 CG TRP A 117 16.527 -5.709 -3.754 1.00 0.00 C ATOM 1843 CD1 TRP A 117 15.865 -5.898 -2.592 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.509 -5.478 -4.774 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.507 -5.798 -2.829 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.235 -5.537 -4.158 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.564 -5.224 -6.160 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.058 -5.350 -4.887 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.385 -5.036 -6.894 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.134 -5.096 -6.261 1.00 0.00 C ATOM 0 H TRP A 117 18.310 -7.985 -2.787 1.00 0.00 H new ATOM 0 HA TRP A 117 17.587 -7.240 -5.381 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.492 -5.755 -2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.363 -4.863 -4.431 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.322 -6.095 -1.634 1.00 0.00 H new ATOM 0 HE1 TRP A 117 13.792 -5.904 -2.109 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.521 -5.174 -6.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.098 -5.401 -4.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.440 -4.843 -7.955 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.231 -4.946 -6.834 1.00 0.00 H new ATOM 1861 N VAL A 118 19.658 -6.003 -6.509 1.00 0.00 N ATOM 1862 CA VAL A 118 20.904 -5.760 -7.295 1.00 0.00 C ATOM 1863 C VAL A 118 20.841 -4.372 -7.932 1.00 0.00 C ATOM 1864 O VAL A 118 19.797 -3.757 -7.997 1.00 0.00 O ATOM 1865 CB VAL A 118 21.050 -6.815 -8.405 1.00 0.00 C ATOM 1866 CG1 VAL A 118 22.268 -7.691 -8.125 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.805 -7.703 -8.460 1.00 0.00 C ATOM 0 H VAL A 118 18.823 -5.532 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 118 21.760 -5.825 -6.624 1.00 0.00 H new ATOM 0 HB VAL A 118 21.171 -6.301 -9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.368 -8.437 -8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 118 23.164 -7.070 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 118 22.143 -8.192 -7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.922 -8.445 -9.250 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.676 -8.209 -7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.929 -7.089 -8.666 1.00 0.00 H new ATOM 1877 N GLU A 119 21.951 -3.875 -8.404 1.00 0.00 N ATOM 1878 CA GLU A 119 21.954 -2.528 -9.038 1.00 0.00 C ATOM 1879 C GLU A 119 22.195 -2.669 -10.541 1.00 0.00 C ATOM 1880 O GLU A 119 23.320 -2.725 -10.997 1.00 0.00 O ATOM 1881 CB GLU A 119 23.068 -1.680 -8.421 1.00 0.00 C ATOM 1882 CG GLU A 119 22.540 -0.969 -7.174 1.00 0.00 C ATOM 1883 CD GLU A 119 23.701 -0.307 -6.431 1.00 0.00 C ATOM 1884 OE1 GLU A 119 24.086 0.782 -6.826 1.00 0.00 O ATOM 1885 OE2 GLU A 119 24.185 -0.898 -5.481 1.00 0.00 O ATOM 0 H GLU A 119 22.856 -4.344 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 119 20.991 -2.046 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.917 -2.311 -8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 119 23.426 -0.948 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.801 -0.219 -7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 119 22.037 -1.683 -6.522 1.00 0.00 H new ATOM 1892 N GLY A 120 21.148 -2.725 -11.319 1.00 0.00 N ATOM 1893 CA GLY A 120 21.320 -2.861 -12.792 1.00 0.00 C ATOM 1894 C GLY A 120 22.349 -1.841 -13.281 1.00 0.00 C ATOM 1895 O GLY A 120 23.339 -2.189 -13.896 1.00 0.00 O ATOM 0 H GLY A 120 20.181 -2.682 -10.997 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.647 -3.871 -13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.367 -2.703 -13.296 1.00 0.00 H new