USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=18 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 26 TYR OH : rot 180:sc= 0.00668 USER MOD Set 1.2: A 41 ASN : amide:sc= -11.2! C(o=-11!,f=-25!) USER MOD Single : A 20 CYS SG : rot 16:sc= -16.3! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 25:sc= -1.74 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -53:sc= -4.97! USER MOD Single : A 49 THR OG1 : rot 81:sc= -0.91! 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 -105:sc= 0.799 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -5.29! C(o=-5.3!,f=-12!) USER MOD Single : A 82 ASN : amide:sc= -14.3! C(o=-14!,f=-21!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 148:sc= -4.3 USER MOD Single : A 85 MET CE :methyl 167:sc= -10.9! (180deg=-11.3!) USER MOD Single : A 89 SER OG : rot 113:sc= 0.304! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -4.2! C(o=-4.2!,f=-4!) USER MOD Single : A 95 GLN : amide:sc= -14! C(o=-14!,f=-18!) USER MOD Single : A 96 TYR OH : rot 0:sc= -1.54! USER MOD Single : A 98 SER OG : rot -25:sc= -1.77! USER MOD Single : A 99 SER OG : rot -32:sc= -4.75! 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 -126:sc= 0.382 USER MOD Single : A 109 SER OG : rot 91:sc= 0.66 USER MOD Single : A 112 TYR OH : rot 180:sc= -1.01! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.508 -6.962 -1.116 1.00 0.00 N ATOM 160 CA PRO A 12 -6.077 -7.207 -1.088 1.00 0.00 C ATOM 161 C PRO A 12 -5.438 -6.459 0.089 1.00 0.00 C ATOM 162 O PRO A 12 -5.364 -6.963 1.192 1.00 0.00 O ATOM 163 CB PRO A 12 -5.576 -6.653 -2.416 1.00 0.00 C ATOM 164 CG PRO A 12 -6.622 -5.548 -2.778 1.00 0.00 C ATOM 165 CD PRO A 12 -7.961 -5.974 -2.106 1.00 0.00 C ATOM 0 HA PRO A 12 -5.829 -8.261 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.572 -6.239 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.532 -7.428 -3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.298 -4.573 -2.415 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.739 -5.463 -3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.468 -5.131 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.658 -6.406 -2.824 1.00 0.00 H new ATOM 173 N VAL A 13 -4.982 -5.257 -0.140 1.00 0.00 N ATOM 174 CA VAL A 13 -4.355 -4.469 0.958 1.00 0.00 C ATOM 175 C VAL A 13 -4.717 -2.993 0.773 1.00 0.00 C ATOM 176 O VAL A 13 -3.869 -2.184 0.454 1.00 0.00 O ATOM 177 CB VAL A 13 -2.834 -4.641 0.908 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.167 -3.580 1.786 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.464 -6.033 1.424 1.00 0.00 C ATOM 0 H VAL A 13 -5.017 -4.786 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.719 -4.819 1.924 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.490 -4.528 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.085 -3.705 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.431 -2.587 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.510 -3.691 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.382 -6.158 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.809 -6.144 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.937 -6.790 0.799 1.00 0.00 H new ATOM 189 N PRO A 14 -5.976 -2.690 0.975 1.00 0.00 N ATOM 190 CA PRO A 14 -6.473 -1.332 0.832 1.00 0.00 C ATOM 191 C PRO A 14 -5.566 -0.356 1.582 1.00 0.00 C ATOM 192 O PRO A 14 -5.193 -0.591 2.715 1.00 0.00 O ATOM 193 CB PRO A 14 -7.864 -1.369 1.454 1.00 0.00 C ATOM 194 CG PRO A 14 -8.296 -2.859 1.289 1.00 0.00 C ATOM 195 CD PRO A 14 -6.982 -3.690 1.366 1.00 0.00 C ATOM 0 HA PRO A 14 -6.497 -0.999 -0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.843 -1.071 2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.550 -0.693 0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.992 -3.154 2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.803 -3.016 0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.803 -4.081 2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.997 -4.543 0.688 1.00 0.00 H new ATOM 203 N LEU A 15 -5.203 0.742 0.969 1.00 0.00 N ATOM 204 CA LEU A 15 -4.324 1.714 1.671 1.00 0.00 C ATOM 205 C LEU A 15 -5.008 3.084 1.772 1.00 0.00 C ATOM 206 O LEU A 15 -4.416 4.085 1.443 1.00 0.00 O ATOM 207 CB LEU A 15 -3.004 1.858 0.911 1.00 0.00 C ATOM 208 CG LEU A 15 -2.308 0.500 0.844 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.786 0.261 -0.572 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.136 0.481 1.825 1.00 0.00 C ATOM 0 H LEU A 15 -5.476 1.002 0.021 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.130 1.343 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.190 2.234 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.362 2.584 1.409 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.018 -0.284 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.290 -0.708 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.619 0.276 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.076 1.045 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.638 -0.488 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.428 1.266 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.505 0.651 2.836 1.00 0.00 H new ATOM 222 N PRO A 16 -6.229 3.090 2.246 1.00 0.00 N ATOM 223 CA PRO A 16 -6.981 4.316 2.434 1.00 0.00 C ATOM 224 C PRO A 16 -6.078 5.450 2.946 1.00 0.00 C ATOM 225 O PRO A 16 -6.191 6.580 2.515 1.00 0.00 O ATOM 226 CB PRO A 16 -8.034 3.953 3.470 1.00 0.00 C ATOM 227 CG PRO A 16 -8.234 2.410 3.288 1.00 0.00 C ATOM 228 CD PRO A 16 -6.943 1.862 2.607 1.00 0.00 C ATOM 0 HA PRO A 16 -7.416 4.680 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.700 4.195 4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.963 4.498 3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.398 1.926 4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.111 2.204 2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.360 1.238 3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.173 1.254 1.732 1.00 0.00 H new ATOM 236 N GLU A 17 -5.191 5.161 3.863 1.00 0.00 N ATOM 237 CA GLU A 17 -4.291 6.230 4.399 1.00 0.00 C ATOM 238 C GLU A 17 -3.795 7.110 3.248 1.00 0.00 C ATOM 239 O GLU A 17 -3.838 8.322 3.313 1.00 0.00 O ATOM 240 CB GLU A 17 -3.094 5.585 5.098 1.00 0.00 C ATOM 241 CG GLU A 17 -2.360 6.638 5.931 1.00 0.00 C ATOM 242 CD GLU A 17 -2.066 6.076 7.323 1.00 0.00 C ATOM 243 OE1 GLU A 17 -2.145 4.869 7.482 1.00 0.00 O ATOM 244 OE2 GLU A 17 -1.765 6.862 8.206 1.00 0.00 O ATOM 0 H GLU A 17 -5.050 4.234 4.264 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.843 6.843 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.430 4.769 5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.418 5.154 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.430 6.923 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.967 7.540 6.012 1.00 0.00 H new ATOM 251 N LEU A 18 -3.325 6.502 2.196 1.00 0.00 N ATOM 252 CA LEU A 18 -2.820 7.280 1.032 1.00 0.00 C ATOM 253 C LEU A 18 -3.991 7.579 0.082 1.00 0.00 C ATOM 254 O LEU A 18 -4.790 6.708 -0.198 1.00 0.00 O ATOM 255 CB LEU A 18 -1.780 6.436 0.293 1.00 0.00 C ATOM 256 CG LEU A 18 -0.517 7.258 0.051 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.568 6.828 1.038 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.030 7.016 -1.377 1.00 0.00 C ATOM 0 H LEU A 18 -3.269 5.489 2.092 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.373 8.214 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.539 5.548 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.188 6.092 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.735 8.317 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.470 7.415 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.218 6.992 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.790 5.770 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.872 7.600 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.190 5.957 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.805 7.318 -2.082 1.00 0.00 H new ATOM 270 N PRO A 19 -4.064 8.807 -0.378 1.00 0.00 N ATOM 271 CA PRO A 19 -5.130 9.228 -1.278 1.00 0.00 C ATOM 272 C PRO A 19 -4.919 8.652 -2.682 1.00 0.00 C ATOM 273 O PRO A 19 -3.897 8.067 -2.979 1.00 0.00 O ATOM 274 CB PRO A 19 -5.025 10.749 -1.305 1.00 0.00 C ATOM 275 CG PRO A 19 -3.526 11.016 -0.963 1.00 0.00 C ATOM 276 CD PRO A 19 -3.091 9.852 -0.027 1.00 0.00 C ATOM 0 HA PRO A 19 -6.109 8.881 -0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.292 11.153 -2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.691 11.210 -0.576 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.917 11.040 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.403 11.981 -0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.065 9.536 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.150 10.129 1.025 1.00 0.00 H new ATOM 284 N CYS A 20 -5.884 8.817 -3.548 1.00 0.00 N ATOM 285 CA CYS A 20 -5.749 8.283 -4.934 1.00 0.00 C ATOM 286 C CYS A 20 -5.852 9.433 -5.940 1.00 0.00 C ATOM 287 O CYS A 20 -4.859 9.918 -6.446 1.00 0.00 O ATOM 288 CB CYS A 20 -6.867 7.274 -5.203 1.00 0.00 C ATOM 289 SG CYS A 20 -6.143 5.690 -5.696 1.00 0.00 S ATOM 0 H CYS A 20 -6.761 9.300 -3.354 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.781 7.793 -5.039 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.478 7.145 -4.309 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.526 7.645 -5.988 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.881 5.674 -5.383 1.00 0.00 H new ATOM 295 N GLU A 21 -7.046 9.871 -6.238 1.00 0.00 N ATOM 296 CA GLU A 21 -7.210 10.986 -7.214 1.00 0.00 C ATOM 297 C GLU A 21 -7.512 12.285 -6.463 1.00 0.00 C ATOM 298 O GLU A 21 -8.353 13.064 -6.865 1.00 0.00 O ATOM 299 CB GLU A 21 -8.367 10.667 -8.165 1.00 0.00 C ATOM 300 CG GLU A 21 -7.951 10.993 -9.601 1.00 0.00 C ATOM 301 CD GLU A 21 -9.200 11.149 -10.472 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.166 10.448 -10.218 1.00 0.00 O ATOM 303 OE2 GLU A 21 -9.168 11.966 -11.377 1.00 0.00 O ATOM 0 H GLU A 21 -7.914 9.505 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.290 11.103 -7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.639 9.615 -8.084 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.248 11.246 -7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.364 11.911 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.316 10.200 -9.996 1.00 0.00 H new ATOM 310 N LYS A 22 -6.834 12.524 -5.372 1.00 0.00 N ATOM 311 CA LYS A 22 -7.089 13.772 -4.599 1.00 0.00 C ATOM 312 C LYS A 22 -8.583 13.874 -4.295 1.00 0.00 C ATOM 313 O LYS A 22 -9.102 14.939 -4.023 1.00 0.00 O ATOM 314 CB LYS A 22 -6.650 14.983 -5.424 1.00 0.00 C ATOM 315 CG LYS A 22 -6.397 16.171 -4.495 1.00 0.00 C ATOM 316 CD LYS A 22 -4.900 16.478 -4.454 1.00 0.00 C ATOM 317 CE LYS A 22 -4.415 16.471 -3.002 1.00 0.00 C ATOM 318 NZ LYS A 22 -3.113 15.750 -2.917 1.00 0.00 N ATOM 0 H LYS A 22 -6.117 11.911 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.525 13.749 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.745 14.746 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.419 15.236 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.948 17.044 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.760 15.946 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.350 15.738 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.705 17.449 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.301 17.493 -2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.153 15.987 -2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.783 15.745 -1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.236 14.771 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.410 16.230 -3.515 1.00 0.00 H new ATOM 332 N SER A 23 -9.278 12.772 -4.342 1.00 0.00 N ATOM 333 CA SER A 23 -10.740 12.796 -4.060 1.00 0.00 C ATOM 334 C SER A 23 -11.053 11.828 -2.919 1.00 0.00 C ATOM 335 O SER A 23 -10.193 11.477 -2.136 1.00 0.00 O ATOM 336 CB SER A 23 -11.503 12.366 -5.313 1.00 0.00 C ATOM 337 OG SER A 23 -12.502 13.332 -5.610 1.00 0.00 O ATOM 0 H SER A 23 -8.895 11.853 -4.564 1.00 0.00 H new ATOM 0 HA SER A 23 -11.041 13.804 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.817 12.266 -6.154 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.961 11.389 -5.157 1.00 0.00 H new ATOM 0 HG SER A 23 -12.992 13.060 -6.414 1.00 0.00 H new ATOM 343 N ASP A 24 -12.277 11.386 -2.824 1.00 0.00 N ATOM 344 CA ASP A 24 -12.639 10.434 -1.738 1.00 0.00 C ATOM 345 C ASP A 24 -12.135 9.038 -2.110 1.00 0.00 C ATOM 346 O ASP A 24 -12.287 8.092 -1.364 1.00 0.00 O ATOM 347 CB ASP A 24 -14.160 10.401 -1.572 1.00 0.00 C ATOM 348 CG ASP A 24 -14.623 11.670 -0.856 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.688 12.702 -1.504 1.00 0.00 O ATOM 350 OD2 ASP A 24 -14.904 11.590 0.329 1.00 0.00 O ATOM 0 H ASP A 24 -13.040 11.643 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.182 10.753 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.641 10.325 -2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.455 9.521 -1.001 1.00 0.00 H new ATOM 355 N ALA A 25 -11.532 8.904 -3.262 1.00 0.00 N ATOM 356 CA ALA A 25 -11.016 7.574 -3.684 1.00 0.00 C ATOM 357 C ALA A 25 -9.645 7.341 -3.047 1.00 0.00 C ATOM 358 O ALA A 25 -8.805 8.219 -3.026 1.00 0.00 O ATOM 359 CB ALA A 25 -10.884 7.541 -5.208 1.00 0.00 C ATOM 0 H ALA A 25 -11.376 9.661 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.705 6.793 -3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.506 6.567 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.860 7.713 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.192 8.319 -5.530 1.00 0.00 H new ATOM 365 N TYR A 26 -9.409 6.169 -2.525 1.00 0.00 N ATOM 366 CA TYR A 26 -8.089 5.897 -1.892 1.00 0.00 C ATOM 367 C TYR A 26 -7.242 5.011 -2.808 1.00 0.00 C ATOM 368 O TYR A 26 -7.576 4.788 -3.955 1.00 0.00 O ATOM 369 CB TYR A 26 -8.293 5.192 -0.553 1.00 0.00 C ATOM 370 CG TYR A 26 -9.512 4.303 -0.612 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.784 4.842 -0.382 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.370 2.938 -0.888 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.913 4.016 -0.429 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.500 2.112 -0.934 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.771 2.651 -0.706 1.00 0.00 C ATOM 376 OH TYR A 26 -12.885 1.837 -0.751 1.00 0.00 O ATOM 0 H TYR A 26 -10.070 5.392 -2.509 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.574 6.844 -1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.412 4.598 -0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.410 5.930 0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.894 5.895 -0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.389 2.522 -1.065 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.894 4.432 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.390 1.059 -1.146 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.611 0.919 -0.956 1.00 0.00 H new ATOM 386 N PHE A 27 -6.142 4.515 -2.312 1.00 0.00 N ATOM 387 CA PHE A 27 -5.263 3.655 -3.155 1.00 0.00 C ATOM 388 C PHE A 27 -5.209 2.231 -2.590 1.00 0.00 C ATOM 389 O PHE A 27 -4.382 1.912 -1.762 1.00 0.00 O ATOM 390 CB PHE A 27 -3.850 4.245 -3.169 1.00 0.00 C ATOM 391 CG PHE A 27 -3.470 4.627 -4.579 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.875 3.829 -5.656 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.708 5.779 -4.809 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.520 4.185 -6.962 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.354 6.135 -6.115 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.760 5.338 -7.191 1.00 0.00 C ATOM 0 H PHE A 27 -5.813 4.668 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.666 3.619 -4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.805 5.120 -2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.139 3.519 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.461 2.939 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.393 6.393 -3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.832 3.570 -7.793 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.768 7.024 -6.292 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.487 5.613 -8.199 1.00 0.00 H new ATOM 406 N VAL A 28 -6.080 1.371 -3.035 1.00 0.00 N ATOM 407 CA VAL A 28 -6.066 -0.029 -2.529 1.00 0.00 C ATOM 408 C VAL A 28 -4.973 -0.821 -3.252 1.00 0.00 C ATOM 409 O VAL A 28 -4.943 -0.892 -4.465 1.00 0.00 O ATOM 410 CB VAL A 28 -7.425 -0.683 -2.784 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.323 -2.190 -2.542 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.465 -0.085 -1.833 1.00 0.00 C ATOM 0 H VAL A 28 -6.801 1.576 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.865 -0.024 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.726 -0.501 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.292 -2.654 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.583 -2.618 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.021 -2.373 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.434 -0.551 -2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.162 -0.267 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.541 0.989 -2.005 1.00 0.00 H new ATOM 422 N LEU A 29 -4.076 -1.419 -2.516 1.00 0.00 N ATOM 423 CA LEU A 29 -2.986 -2.208 -3.160 1.00 0.00 C ATOM 424 C LEU A 29 -3.576 -3.466 -3.795 1.00 0.00 C ATOM 425 O LEU A 29 -3.929 -4.410 -3.115 1.00 0.00 O ATOM 426 CB LEU A 29 -1.951 -2.604 -2.105 1.00 0.00 C ATOM 427 CG LEU A 29 -0.917 -3.549 -2.722 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.339 -2.760 -3.096 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.550 -4.633 -1.705 1.00 0.00 C ATOM 0 H LEU A 29 -4.050 -1.396 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.505 -1.604 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.457 -1.714 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.444 -3.090 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.336 -4.011 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.075 -3.434 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.080 -1.985 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.758 -2.298 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.186 -5.308 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.131 -4.168 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.443 -5.196 -1.436 1.00 0.00 H new ATOM 441 N ARG A 30 -3.682 -3.493 -5.095 1.00 0.00 N ATOM 442 CA ARG A 30 -4.244 -4.696 -5.770 1.00 0.00 C ATOM 443 C ARG A 30 -3.150 -5.366 -6.604 1.00 0.00 C ATOM 444 O ARG A 30 -2.169 -4.748 -6.970 1.00 0.00 O ATOM 445 CB ARG A 30 -5.398 -4.278 -6.684 1.00 0.00 C ATOM 446 CG ARG A 30 -6.614 -5.163 -6.404 1.00 0.00 C ATOM 447 CD ARG A 30 -7.788 -4.292 -5.951 1.00 0.00 C ATOM 448 NE ARG A 30 -8.987 -4.609 -6.775 1.00 0.00 N ATOM 449 CZ ARG A 30 -10.095 -3.942 -6.598 1.00 0.00 C ATOM 450 NH1 ARG A 30 -10.869 -4.219 -5.585 1.00 0.00 N ATOM 451 NH2 ARG A 30 -10.428 -2.998 -7.435 1.00 0.00 N ATOM 0 H ARG A 30 -3.404 -2.735 -5.718 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.612 -5.396 -5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.650 -3.231 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.101 -4.369 -7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.886 -5.720 -7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.374 -5.896 -5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.001 -4.469 -4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.533 -3.237 -6.052 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.943 -5.347 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.608 -4.957 -4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.735 -3.698 -5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.823 -2.782 -8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.294 -2.476 -7.297 1.00 0.00 H new ATOM 465 N ASP A 31 -3.307 -6.625 -6.904 1.00 0.00 N ATOM 466 CA ASP A 31 -2.273 -7.332 -7.711 1.00 0.00 C ATOM 467 C ASP A 31 -2.821 -7.608 -9.112 1.00 0.00 C ATOM 468 O ASP A 31 -3.897 -8.151 -9.273 1.00 0.00 O ATOM 469 CB ASP A 31 -1.914 -8.656 -7.033 1.00 0.00 C ATOM 470 CG ASP A 31 -3.077 -9.640 -7.184 1.00 0.00 C ATOM 471 OD1 ASP A 31 -3.151 -10.282 -8.219 1.00 0.00 O ATOM 472 OD2 ASP A 31 -3.872 -9.733 -6.264 1.00 0.00 O ATOM 0 H ASP A 31 -4.106 -7.195 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.382 -6.709 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.011 -9.072 -7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.699 -8.490 -5.977 1.00 0.00 H new ATOM 477 N GLY A 32 -2.091 -7.241 -10.129 1.00 0.00 N ATOM 478 CA GLY A 32 -2.571 -7.485 -11.518 1.00 0.00 C ATOM 479 C GLY A 32 -1.973 -8.793 -12.036 1.00 0.00 C ATOM 480 O GLY A 32 -1.822 -8.989 -13.225 1.00 0.00 O ATOM 0 H GLY A 32 -1.183 -6.783 -10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.660 -7.537 -11.535 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.282 -6.658 -12.166 1.00 0.00 H new ATOM 484 N ALA A 33 -1.629 -9.687 -11.152 1.00 0.00 N ATOM 485 CA ALA A 33 -1.039 -10.981 -11.591 1.00 0.00 C ATOM 486 C ALA A 33 0.399 -10.748 -12.058 1.00 0.00 C ATOM 487 O ALA A 33 0.664 -9.874 -12.858 1.00 0.00 O ATOM 488 CB ALA A 33 -1.864 -11.553 -12.745 1.00 0.00 C ATOM 0 H ALA A 33 -1.731 -9.577 -10.143 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.044 -11.685 -10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.432 -12.501 -13.066 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.890 -11.716 -12.413 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.859 -10.851 -13.579 1.00 0.00 H new ATOM 494 N ALA A 34 1.325 -11.527 -11.559 1.00 0.00 N ATOM 495 CA ALA A 34 2.755 -11.366 -11.964 1.00 0.00 C ATOM 496 C ALA A 34 3.410 -10.250 -11.143 1.00 0.00 C ATOM 497 O ALA A 34 4.530 -10.379 -10.693 1.00 0.00 O ATOM 498 CB ALA A 34 2.841 -11.022 -13.453 1.00 0.00 C ATOM 0 H ALA A 34 1.151 -12.272 -10.884 1.00 0.00 H new ATOM 0 HA ALA A 34 3.280 -12.304 -11.780 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.886 -10.906 -13.740 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.391 -11.824 -14.038 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.308 -10.091 -13.643 1.00 0.00 H new ATOM 504 N GLY A 35 2.728 -9.154 -10.944 1.00 0.00 N ATOM 505 CA GLY A 35 3.328 -8.042 -10.154 1.00 0.00 C ATOM 506 C GLY A 35 2.266 -7.421 -9.247 1.00 0.00 C ATOM 507 O GLY A 35 1.088 -7.686 -9.381 1.00 0.00 O ATOM 0 H GLY A 35 1.785 -8.982 -11.293 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.158 -8.416 -9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.735 -7.285 -10.825 1.00 0.00 H new ATOM 511 N VAL A 36 2.673 -6.593 -8.324 1.00 0.00 N ATOM 512 CA VAL A 36 1.689 -5.953 -7.407 1.00 0.00 C ATOM 513 C VAL A 36 1.543 -4.473 -7.770 1.00 0.00 C ATOM 514 O VAL A 36 2.275 -3.950 -8.587 1.00 0.00 O ATOM 515 CB VAL A 36 2.179 -6.079 -5.964 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.627 -7.518 -5.701 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.361 -5.131 -5.739 1.00 0.00 C ATOM 0 H VAL A 36 3.646 -6.332 -8.166 1.00 0.00 H new ATOM 0 HA VAL A 36 0.723 -6.449 -7.506 1.00 0.00 H new ATOM 0 HB VAL A 36 1.369 -5.818 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.976 -7.608 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.788 -8.195 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.437 -7.777 -6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.709 -5.222 -4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.171 -5.391 -6.421 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.045 -4.105 -5.926 1.00 0.00 H new ATOM 527 N PHE A 37 0.607 -3.796 -7.167 1.00 0.00 N ATOM 528 CA PHE A 37 0.417 -2.350 -7.476 1.00 0.00 C ATOM 529 C PHE A 37 -0.747 -1.803 -6.644 1.00 0.00 C ATOM 530 O PHE A 37 -1.307 -2.492 -5.816 1.00 0.00 O ATOM 531 CB PHE A 37 0.118 -2.182 -8.970 1.00 0.00 C ATOM 532 CG PHE A 37 -1.317 -2.561 -9.254 1.00 0.00 C ATOM 533 CD1 PHE A 37 -1.681 -3.908 -9.355 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.283 -1.561 -9.413 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.012 -4.256 -9.615 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.613 -1.908 -9.672 1.00 0.00 C ATOM 537 CZ PHE A 37 -3.979 -3.255 -9.773 1.00 0.00 C ATOM 0 H PHE A 37 -0.035 -4.180 -6.474 1.00 0.00 H new ATOM 0 HA PHE A 37 1.324 -1.798 -7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.297 -1.150 -9.272 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.791 -2.807 -9.557 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.935 -4.680 -9.232 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.002 -0.521 -9.336 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.293 -5.296 -9.694 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.358 -1.136 -9.794 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.006 -3.522 -9.973 1.00 0.00 H new ATOM 547 N LEU A 38 -1.115 -0.570 -6.859 1.00 0.00 N ATOM 548 CA LEU A 38 -2.244 0.013 -6.079 1.00 0.00 C ATOM 549 C LEU A 38 -3.226 0.694 -7.033 1.00 0.00 C ATOM 550 O LEU A 38 -2.913 1.692 -7.652 1.00 0.00 O ATOM 551 CB LEU A 38 -1.710 1.048 -5.083 1.00 0.00 C ATOM 552 CG LEU A 38 -0.293 0.667 -4.648 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.716 1.593 -5.329 1.00 0.00 C ATOM 554 CD2 LEU A 38 -0.172 0.814 -3.130 1.00 0.00 C ATOM 0 H LEU A 38 -0.685 0.057 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.751 -0.785 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.706 2.038 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.365 1.101 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.090 -0.365 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.725 1.322 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.629 1.493 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.514 2.625 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.836 0.543 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.374 1.847 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.892 0.157 -2.642 1.00 0.00 H new ATOM 566 N ALA A 39 -4.412 0.167 -7.153 1.00 0.00 N ATOM 567 CA ALA A 39 -5.411 0.793 -8.062 1.00 0.00 C ATOM 568 C ALA A 39 -6.323 1.712 -7.253 1.00 0.00 C ATOM 569 O ALA A 39 -6.504 1.539 -6.060 1.00 0.00 O ATOM 570 CB ALA A 39 -6.260 -0.290 -8.732 1.00 0.00 C ATOM 0 H ALA A 39 -4.732 -0.668 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.887 1.366 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.988 0.177 -9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.615 -0.952 -9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.782 -0.867 -7.969 1.00 0.00 H new ATOM 576 N ALA A 40 -6.908 2.685 -7.892 1.00 0.00 N ATOM 577 CA ALA A 40 -7.818 3.607 -7.166 1.00 0.00 C ATOM 578 C ALA A 40 -9.115 2.863 -6.843 1.00 0.00 C ATOM 579 O ALA A 40 -9.629 2.120 -7.653 1.00 0.00 O ATOM 580 CB ALA A 40 -8.117 4.821 -8.049 1.00 0.00 C ATOM 0 H ALA A 40 -6.794 2.880 -8.887 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.352 3.947 -6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.785 5.500 -7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.187 5.337 -8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.593 4.491 -8.972 1.00 0.00 H new ATOM 586 N ASN A 41 -9.640 3.042 -5.663 1.00 0.00 N ATOM 587 CA ASN A 41 -10.896 2.327 -5.293 1.00 0.00 C ATOM 588 C ASN A 41 -12.052 2.824 -6.166 1.00 0.00 C ATOM 589 O ASN A 41 -12.965 2.087 -6.483 1.00 0.00 O ATOM 590 CB ASN A 41 -11.217 2.587 -3.819 1.00 0.00 C ATOM 591 CG ASN A 41 -11.784 3.999 -3.655 1.00 0.00 C ATOM 592 OD1 ASN A 41 -11.257 4.944 -4.206 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.847 4.181 -2.921 1.00 0.00 N ATOM 0 H ASN A 41 -9.256 3.650 -4.940 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.761 1.257 -5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.936 1.852 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.316 2.474 -3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.236 5.117 -2.810 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.289 3.387 -2.458 1.00 0.00 H new ATOM 600 N THR A 42 -12.024 4.070 -6.552 1.00 0.00 N ATOM 601 CA THR A 42 -13.125 4.612 -7.398 1.00 0.00 C ATOM 602 C THR A 42 -12.972 4.105 -8.836 1.00 0.00 C ATOM 603 O THR A 42 -13.768 4.425 -9.694 1.00 0.00 O ATOM 604 CB THR A 42 -13.070 6.141 -7.384 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.746 6.570 -7.668 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.493 6.656 -6.007 1.00 0.00 C ATOM 0 H THR A 42 -11.287 4.736 -6.319 1.00 0.00 H new ATOM 0 HA THR A 42 -14.084 4.278 -7.001 1.00 0.00 H new ATOM 0 HB THR A 42 -13.748 6.536 -8.140 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.280 5.877 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.453 7.745 -5.998 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.510 6.328 -5.793 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.817 6.262 -5.248 1.00 0.00 H new ATOM 614 N PHE A 43 -11.955 3.319 -9.095 1.00 0.00 N ATOM 615 CA PHE A 43 -11.733 2.777 -10.471 1.00 0.00 C ATOM 616 C PHE A 43 -13.083 2.484 -11.140 1.00 0.00 C ATOM 617 O PHE A 43 -14.011 2.055 -10.484 1.00 0.00 O ATOM 618 CB PHE A 43 -10.924 1.479 -10.369 1.00 0.00 C ATOM 619 CG PHE A 43 -10.928 0.769 -11.701 1.00 0.00 C ATOM 620 CD1 PHE A 43 -12.060 0.053 -12.111 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.799 0.825 -12.527 1.00 0.00 C ATOM 622 CE1 PHE A 43 -12.062 -0.607 -13.346 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.801 0.166 -13.762 1.00 0.00 C ATOM 624 CZ PHE A 43 -10.933 -0.550 -14.171 1.00 0.00 C ATOM 0 H PHE A 43 -11.263 3.028 -8.405 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.190 3.510 -11.069 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.900 1.700 -10.067 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.350 0.833 -9.601 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.931 0.010 -11.474 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.926 1.377 -12.211 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.934 -1.160 -13.662 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.930 0.210 -14.399 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.935 -1.059 -15.124 1.00 0.00 H new ATOM 634 N PRO A 44 -13.154 2.718 -12.430 1.00 0.00 N ATOM 635 CA PRO A 44 -12.035 3.233 -13.211 1.00 0.00 C ATOM 636 C PRO A 44 -11.856 4.738 -12.980 1.00 0.00 C ATOM 637 O PRO A 44 -10.988 5.359 -13.562 1.00 0.00 O ATOM 638 CB PRO A 44 -12.436 2.968 -14.657 1.00 0.00 C ATOM 639 CG PRO A 44 -13.997 2.972 -14.610 1.00 0.00 C ATOM 640 CD PRO A 44 -14.385 2.463 -13.192 1.00 0.00 C ATOM 0 HA PRO A 44 -11.090 2.763 -12.939 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.053 3.738 -15.327 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.048 2.014 -15.013 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.390 3.973 -14.786 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.412 2.326 -15.384 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.238 3.005 -12.783 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.651 1.406 -13.196 1.00 0.00 H new ATOM 648 N LYS A 45 -12.671 5.327 -12.142 1.00 0.00 N ATOM 649 CA LYS A 45 -12.553 6.790 -11.872 1.00 0.00 C ATOM 650 C LYS A 45 -11.076 7.183 -11.812 1.00 0.00 C ATOM 651 O LYS A 45 -10.704 8.292 -12.137 1.00 0.00 O ATOM 652 CB LYS A 45 -13.229 7.108 -10.534 1.00 0.00 C ATOM 653 CG LYS A 45 -12.760 8.474 -10.032 1.00 0.00 C ATOM 654 CD LYS A 45 -13.544 8.855 -8.774 1.00 0.00 C ATOM 655 CE LYS A 45 -13.572 10.378 -8.632 1.00 0.00 C ATOM 656 NZ LYS A 45 -14.959 10.820 -8.312 1.00 0.00 N ATOM 0 H LYS A 45 -13.416 4.854 -11.631 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.039 7.352 -12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.312 7.106 -10.653 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.988 6.338 -9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.693 8.445 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.906 9.227 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.560 8.466 -8.834 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.082 8.406 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.887 10.694 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.233 10.847 -9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.980 11.855 -8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.601 10.531 -9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.266 10.383 -7.420 1.00 0.00 H new ATOM 670 N SER A 46 -10.233 6.280 -11.400 1.00 0.00 N ATOM 671 CA SER A 46 -8.783 6.599 -11.322 1.00 0.00 C ATOM 672 C SER A 46 -7.974 5.391 -11.789 1.00 0.00 C ATOM 673 O SER A 46 -7.826 4.418 -11.077 1.00 0.00 O ATOM 674 CB SER A 46 -8.411 6.938 -9.879 1.00 0.00 C ATOM 675 OG SER A 46 -8.324 8.349 -9.736 1.00 0.00 O ATOM 0 H SER A 46 -10.486 5.334 -11.114 1.00 0.00 H new ATOM 0 HA SER A 46 -8.563 7.454 -11.961 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.159 6.537 -9.195 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.459 6.475 -9.618 1.00 0.00 H new ATOM 0 HG SER A 46 -7.723 8.711 -10.420 1.00 0.00 H new ATOM 681 N ARG A 47 -7.446 5.444 -12.980 1.00 0.00 N ATOM 682 CA ARG A 47 -6.645 4.298 -13.488 1.00 0.00 C ATOM 683 C ARG A 47 -5.185 4.498 -13.085 1.00 0.00 C ATOM 684 O ARG A 47 -4.279 4.291 -13.866 1.00 0.00 O ATOM 685 CB ARG A 47 -6.752 4.234 -15.013 1.00 0.00 C ATOM 686 CG ARG A 47 -7.732 3.127 -15.409 1.00 0.00 C ATOM 687 CD ARG A 47 -8.263 3.397 -16.818 1.00 0.00 C ATOM 688 NE ARG A 47 -7.304 2.857 -17.823 1.00 0.00 N ATOM 689 CZ ARG A 47 -7.358 1.599 -18.165 1.00 0.00 C ATOM 690 NH1 ARG A 47 -6.772 0.696 -17.427 1.00 0.00 N ATOM 691 NH2 ARG A 47 -7.997 1.243 -19.246 1.00 0.00 N ATOM 0 H ARG A 47 -7.535 6.231 -13.622 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.021 3.367 -13.064 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.092 5.193 -15.405 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.772 4.040 -15.449 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.235 2.157 -15.376 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.558 3.087 -14.699 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.240 2.931 -16.945 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.399 4.468 -16.968 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.606 3.471 -18.243 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.272 0.974 -16.583 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.814 -0.287 -17.695 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.454 1.948 -19.824 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.039 0.259 -19.513 1.00 0.00 H new ATOM 705 N GLU A 48 -4.955 4.904 -11.866 1.00 0.00 N ATOM 706 CA GLU A 48 -3.557 5.123 -11.405 1.00 0.00 C ATOM 707 C GLU A 48 -2.978 3.804 -10.893 1.00 0.00 C ATOM 708 O GLU A 48 -2.483 3.719 -9.786 1.00 0.00 O ATOM 709 CB GLU A 48 -3.547 6.159 -10.280 1.00 0.00 C ATOM 710 CG GLU A 48 -4.086 7.490 -10.809 1.00 0.00 C ATOM 711 CD GLU A 48 -5.457 7.768 -10.192 1.00 0.00 C ATOM 712 OE1 GLU A 48 -5.657 7.393 -9.048 1.00 0.00 O ATOM 713 OE2 GLU A 48 -6.284 8.351 -10.873 1.00 0.00 O ATOM 0 H GLU A 48 -5.676 5.093 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.952 5.486 -12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.158 5.812 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.534 6.290 -9.900 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.395 8.297 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.165 7.456 -11.896 1.00 0.00 H new ATOM 720 N THR A 49 -3.033 2.772 -11.691 1.00 0.00 N ATOM 721 CA THR A 49 -2.484 1.458 -11.250 1.00 0.00 C ATOM 722 C THR A 49 -1.020 1.350 -11.680 1.00 0.00 C ATOM 723 O THR A 49 -0.668 1.645 -12.805 1.00 0.00 O ATOM 724 CB THR A 49 -3.287 0.319 -11.886 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.507 -0.868 -11.877 1.00 0.00 O ATOM 726 CG2 THR A 49 -3.649 0.679 -13.327 1.00 0.00 C ATOM 0 H THR A 49 -3.434 2.782 -12.629 1.00 0.00 H new ATOM 0 HA THR A 49 -2.555 1.384 -10.165 1.00 0.00 H new ATOM 0 HB THR A 49 -4.203 0.162 -11.316 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.561 -1.288 -10.993 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.220 -0.135 -13.773 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.249 1.589 -13.335 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.737 0.840 -13.902 1.00 0.00 H new ATOM 734 N ARG A 50 -0.164 0.928 -10.791 1.00 0.00 N ATOM 735 CA ARG A 50 1.278 0.799 -11.145 1.00 0.00 C ATOM 736 C ARG A 50 2.067 0.357 -9.912 1.00 0.00 C ATOM 737 O ARG A 50 1.587 0.427 -8.798 1.00 0.00 O ATOM 738 CB ARG A 50 1.809 2.149 -11.630 1.00 0.00 C ATOM 739 CG ARG A 50 2.942 1.926 -12.634 1.00 0.00 C ATOM 740 CD ARG A 50 3.547 3.273 -13.029 1.00 0.00 C ATOM 741 NE ARG A 50 2.747 3.875 -14.133 1.00 0.00 N ATOM 742 CZ ARG A 50 2.896 5.135 -14.436 1.00 0.00 C ATOM 743 NH1 ARG A 50 2.518 6.058 -13.594 1.00 0.00 N ATOM 744 NH2 ARG A 50 3.422 5.473 -15.580 1.00 0.00 N ATOM 0 H ARG A 50 -0.401 0.667 -9.834 1.00 0.00 H new ATOM 0 HA ARG A 50 1.392 0.058 -11.937 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.006 2.721 -12.094 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.169 2.734 -10.784 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.708 1.285 -12.197 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.563 1.413 -13.518 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.561 3.943 -12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.581 3.140 -13.346 1.00 0.00 H new ATOM 0 HE ARG A 50 2.082 3.301 -14.652 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.106 5.794 -12.699 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.635 7.043 -13.831 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.717 4.752 -16.238 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.538 6.458 -15.817 1.00 0.00 H new ATOM 758 N ALA A 51 3.274 -0.098 -10.101 1.00 0.00 N ATOM 759 CA ALA A 51 4.092 -0.541 -8.938 1.00 0.00 C ATOM 760 C ALA A 51 4.165 0.596 -7.910 1.00 0.00 C ATOM 761 O ALA A 51 4.259 1.750 -8.277 1.00 0.00 O ATOM 762 CB ALA A 51 5.497 -0.900 -9.413 1.00 0.00 C ATOM 0 H ALA A 51 3.729 -0.182 -11.010 1.00 0.00 H new ATOM 0 HA ALA A 51 3.635 -1.417 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.097 -1.224 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.439 -1.706 -10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.960 -0.026 -9.872 1.00 0.00 H new ATOM 768 N PRO A 52 4.101 0.237 -6.650 1.00 0.00 N ATOM 769 CA PRO A 52 4.138 1.212 -5.570 1.00 0.00 C ATOM 770 C PRO A 52 5.569 1.691 -5.291 1.00 0.00 C ATOM 771 O PRO A 52 6.476 0.903 -5.114 1.00 0.00 O ATOM 772 CB PRO A 52 3.604 0.449 -4.364 1.00 0.00 C ATOM 773 CG PRO A 52 3.980 -1.036 -4.674 1.00 0.00 C ATOM 774 CD PRO A 52 3.981 -1.167 -6.225 1.00 0.00 C ATOM 0 HA PRO A 52 3.560 2.104 -5.810 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.062 0.793 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.527 0.576 -4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.958 -1.285 -4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.261 -1.722 -4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.813 -1.774 -6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.066 -1.629 -6.596 1.00 0.00 H new ATOM 782 N LEU A 53 5.767 2.982 -5.223 1.00 0.00 N ATOM 783 CA LEU A 53 7.123 3.518 -4.920 1.00 0.00 C ATOM 784 C LEU A 53 7.672 2.789 -3.691 1.00 0.00 C ATOM 785 O LEU A 53 6.985 2.629 -2.703 1.00 0.00 O ATOM 786 CB LEU A 53 7.021 5.012 -4.617 1.00 0.00 C ATOM 787 CG LEU A 53 8.164 5.762 -5.310 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.458 4.956 -5.222 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.817 5.991 -6.781 1.00 0.00 C ATOM 0 H LEU A 53 5.045 3.688 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 53 7.784 3.366 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.061 5.397 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.065 5.178 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 53 8.303 6.721 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.261 5.501 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.719 4.800 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.319 3.991 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.633 6.524 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.666 5.030 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.904 6.582 -6.852 1.00 0.00 H new ATOM 801 N VAL A 54 8.897 2.346 -3.738 1.00 0.00 N ATOM 802 CA VAL A 54 9.474 1.628 -2.568 1.00 0.00 C ATOM 803 C VAL A 54 9.438 2.546 -1.346 1.00 0.00 C ATOM 804 O VAL A 54 9.543 2.102 -0.219 1.00 0.00 O ATOM 805 CB VAL A 54 10.919 1.234 -2.881 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.372 0.140 -1.918 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.002 0.706 -4.315 1.00 0.00 C ATOM 0 H VAL A 54 9.524 2.450 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 54 8.893 0.729 -2.360 1.00 0.00 H new ATOM 0 HB VAL A 54 11.563 2.107 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.401 -0.139 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.311 0.509 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.727 -0.732 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.031 0.425 -4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.356 -0.166 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.678 1.483 -5.008 1.00 0.00 H new ATOM 817 N GLU A 55 9.281 3.824 -1.559 1.00 0.00 N ATOM 818 CA GLU A 55 9.226 4.768 -0.408 1.00 0.00 C ATOM 819 C GLU A 55 7.827 4.722 0.204 1.00 0.00 C ATOM 820 O GLU A 55 7.666 4.707 1.408 1.00 0.00 O ATOM 821 CB GLU A 55 9.532 6.188 -0.891 1.00 0.00 C ATOM 822 CG GLU A 55 8.535 6.584 -1.982 1.00 0.00 C ATOM 823 CD GLU A 55 8.811 8.022 -2.426 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.717 8.627 -1.878 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.110 8.493 -3.307 1.00 0.00 O ATOM 0 H GLU A 55 9.189 4.254 -2.479 1.00 0.00 H new ATOM 0 HA GLU A 55 9.965 4.481 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.471 6.888 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.550 6.240 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.621 5.907 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.515 6.497 -1.607 1.00 0.00 H new ATOM 832 N GLU A 56 6.812 4.681 -0.615 1.00 0.00 N ATOM 833 CA GLU A 56 5.428 4.614 -0.072 1.00 0.00 C ATOM 834 C GLU A 56 5.232 3.239 0.561 1.00 0.00 C ATOM 835 O GLU A 56 4.473 3.068 1.495 1.00 0.00 O ATOM 836 CB GLU A 56 4.419 4.809 -1.205 1.00 0.00 C ATOM 837 CG GLU A 56 4.248 6.304 -1.486 1.00 0.00 C ATOM 838 CD GLU A 56 3.635 6.496 -2.875 1.00 0.00 C ATOM 839 OE1 GLU A 56 4.031 5.780 -3.780 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.781 7.357 -3.008 1.00 0.00 O ATOM 0 H GLU A 56 6.882 4.691 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 56 5.275 5.397 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.762 4.296 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.460 4.368 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.608 6.756 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.213 6.808 -1.430 1.00 0.00 H new ATOM 847 N LEU A 57 5.929 2.259 0.057 1.00 0.00 N ATOM 848 CA LEU A 57 5.814 0.887 0.617 1.00 0.00 C ATOM 849 C LEU A 57 6.447 0.863 2.010 1.00 0.00 C ATOM 850 O LEU A 57 5.941 0.240 2.921 1.00 0.00 O ATOM 851 CB LEU A 57 6.551 -0.094 -0.297 1.00 0.00 C ATOM 852 CG LEU A 57 5.602 -1.218 -0.711 1.00 0.00 C ATOM 853 CD1 LEU A 57 6.108 -1.865 -2.001 1.00 0.00 C ATOM 854 CD2 LEU A 57 5.554 -2.270 0.396 1.00 0.00 C ATOM 0 H LEU A 57 6.578 2.352 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 57 4.765 0.600 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.924 0.425 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.418 -0.507 0.219 1.00 0.00 H new ATOM 0 HG LEU A 57 4.605 -0.810 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.431 -2.667 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.150 -1.116 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.105 -2.274 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.878 -3.074 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.553 -2.676 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.197 -1.812 1.318 1.00 0.00 H new ATOM 866 N TYR A 58 7.550 1.543 2.182 1.00 0.00 N ATOM 867 CA TYR A 58 8.209 1.563 3.518 1.00 0.00 C ATOM 868 C TYR A 58 7.280 2.246 4.523 1.00 0.00 C ATOM 869 O TYR A 58 7.097 1.782 5.631 1.00 0.00 O ATOM 870 CB TYR A 58 9.525 2.339 3.427 1.00 0.00 C ATOM 871 CG TYR A 58 10.506 1.816 4.454 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.050 1.082 5.557 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.874 2.069 4.301 1.00 0.00 C ATOM 874 CE1 TYR A 58 10.962 0.601 6.504 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.786 1.589 5.249 1.00 0.00 C ATOM 876 CZ TYR A 58 12.329 0.855 6.351 1.00 0.00 C ATOM 877 OH TYR A 58 13.229 0.382 7.284 1.00 0.00 O ATOM 0 H TYR A 58 8.021 2.084 1.456 1.00 0.00 H new ATOM 0 HA TYR A 58 8.415 0.543 3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 58 9.946 2.241 2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.343 3.401 3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.994 0.887 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 58 12.226 2.635 3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.610 0.034 7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.841 1.785 5.131 1.00 0.00 H new ATOM 0 HH TYR A 58 14.137 0.646 7.026 1.00 0.00 H new ATOM 887 N ARG A 59 6.687 3.344 4.141 1.00 0.00 N ATOM 888 CA ARG A 59 5.765 4.054 5.071 1.00 0.00 C ATOM 889 C ARG A 59 4.562 3.158 5.368 1.00 0.00 C ATOM 890 O ARG A 59 3.944 3.252 6.409 1.00 0.00 O ATOM 891 CB ARG A 59 5.285 5.353 4.418 1.00 0.00 C ATOM 892 CG ARG A 59 4.221 6.007 5.301 1.00 0.00 C ATOM 893 CD ARG A 59 2.986 6.327 4.457 1.00 0.00 C ATOM 894 NE ARG A 59 1.769 6.267 5.314 1.00 0.00 N ATOM 895 CZ ARG A 59 1.118 7.361 5.600 1.00 0.00 C ATOM 896 NH1 ARG A 59 0.840 8.220 4.656 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.745 7.598 6.827 1.00 0.00 N ATOM 0 H ARG A 59 6.801 3.780 3.226 1.00 0.00 H new ATOM 0 HA ARG A 59 6.287 4.286 5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.125 6.034 4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.875 5.145 3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.952 5.340 6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.615 6.919 5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.083 7.318 4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.900 5.616 3.635 1.00 0.00 H new ATOM 0 HE ARG A 59 1.445 5.371 5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.132 8.035 3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.331 9.075 4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.962 6.928 7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.236 8.454 7.049 1.00 0.00 H new ATOM 911 N PHE A 60 4.226 2.285 4.457 1.00 0.00 N ATOM 912 CA PHE A 60 3.067 1.380 4.683 1.00 0.00 C ATOM 913 C PHE A 60 3.568 0.032 5.205 1.00 0.00 C ATOM 914 O PHE A 60 2.915 -0.982 5.065 1.00 0.00 O ATOM 915 CB PHE A 60 2.316 1.173 3.366 1.00 0.00 C ATOM 916 CG PHE A 60 1.321 2.292 3.173 1.00 0.00 C ATOM 917 CD1 PHE A 60 0.505 2.691 4.238 1.00 0.00 C ATOM 918 CD2 PHE A 60 1.217 2.933 1.934 1.00 0.00 C ATOM 919 CE1 PHE A 60 -0.416 3.730 4.064 1.00 0.00 C ATOM 920 CE2 PHE A 60 0.296 3.972 1.758 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.522 4.370 2.823 1.00 0.00 C ATOM 0 H PHE A 60 4.706 2.161 3.566 1.00 0.00 H new ATOM 0 HA PHE A 60 2.395 1.826 5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.019 1.150 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.802 0.212 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.586 2.197 5.195 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.848 2.626 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.045 4.038 4.886 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.216 4.467 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.234 5.170 2.687 1.00 0.00 H new ATOM 931 N ARG A 61 4.725 0.016 5.808 1.00 0.00 N ATOM 932 CA ARG A 61 5.270 -1.264 6.342 1.00 0.00 C ATOM 933 C ARG A 61 4.394 -1.744 7.501 1.00 0.00 C ATOM 934 O ARG A 61 4.243 -2.929 7.728 1.00 0.00 O ATOM 935 CB ARG A 61 6.700 -1.040 6.840 1.00 0.00 C ATOM 936 CG ARG A 61 7.386 -2.392 7.046 1.00 0.00 C ATOM 937 CD ARG A 61 7.366 -2.754 8.532 1.00 0.00 C ATOM 938 NE ARG A 61 8.719 -2.531 9.116 1.00 0.00 N ATOM 939 CZ ARG A 61 8.912 -1.552 9.958 1.00 0.00 C ATOM 940 NH1 ARG A 61 8.723 -0.318 9.578 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.292 -1.808 11.180 1.00 0.00 N ATOM 0 H ARG A 61 5.317 0.834 5.954 1.00 0.00 H new ATOM 0 HA ARG A 61 5.274 -2.017 5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.258 -0.443 6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.687 -0.480 7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.877 -3.162 6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.414 -2.349 6.685 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.628 -2.146 9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.070 -3.795 8.660 1.00 0.00 H new ATOM 0 HE ARG A 61 9.493 -3.143 8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.425 -0.118 8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.874 0.447 10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.438 -2.773 11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.443 -1.043 11.838 1.00 0.00 H new ATOM 955 N ASP A 62 3.817 -0.834 8.237 1.00 0.00 N ATOM 956 CA ASP A 62 2.949 -1.238 9.379 1.00 0.00 C ATOM 957 C ASP A 62 1.651 -1.848 8.846 1.00 0.00 C ATOM 958 O ASP A 62 0.827 -2.332 9.596 1.00 0.00 O ATOM 959 CB ASP A 62 2.624 -0.011 10.233 1.00 0.00 C ATOM 960 CG ASP A 62 1.802 0.980 9.408 1.00 0.00 C ATOM 961 OD1 ASP A 62 0.639 0.700 9.169 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.348 2.003 9.029 1.00 0.00 O ATOM 0 H ASP A 62 3.909 0.172 8.097 1.00 0.00 H new ATOM 0 HA ASP A 62 3.472 -1.976 9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.068 -0.310 11.122 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.545 0.461 10.576 1.00 0.00 H new ATOM 967 N ARG A 63 1.461 -1.829 7.554 1.00 0.00 N ATOM 968 CA ARG A 63 0.216 -2.408 6.974 1.00 0.00 C ATOM 969 C ARG A 63 0.585 -3.382 5.853 1.00 0.00 C ATOM 970 O ARG A 63 -0.266 -3.877 5.142 1.00 0.00 O ATOM 971 CB ARG A 63 -0.654 -1.285 6.409 1.00 0.00 C ATOM 972 CG ARG A 63 -2.000 -1.266 7.135 1.00 0.00 C ATOM 973 CD ARG A 63 -2.811 -0.052 6.678 1.00 0.00 C ATOM 974 NE ARG A 63 -3.813 0.299 7.724 1.00 0.00 N ATOM 975 CZ ARG A 63 -3.428 0.870 8.831 1.00 0.00 C ATOM 976 NH1 ARG A 63 -3.146 2.144 8.845 1.00 0.00 N ATOM 977 NH2 ARG A 63 -3.325 0.168 9.926 1.00 0.00 N ATOM 0 H ARG A 63 2.114 -1.437 6.876 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.336 -2.938 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.151 -0.326 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.808 -1.433 5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.550 -2.183 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.843 -1.227 8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.148 0.794 6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.314 -0.271 5.736 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.800 0.092 7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.227 2.694 7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.845 2.590 9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.546 -0.828 9.916 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.024 0.615 10.792 1.00 0.00 H new ATOM 991 N LEU A 64 1.850 -3.660 5.689 1.00 0.00 N ATOM 992 CA LEU A 64 2.280 -4.599 4.617 1.00 0.00 C ATOM 993 C LEU A 64 2.162 -6.042 5.125 1.00 0.00 C ATOM 994 O LEU A 64 2.875 -6.431 6.028 1.00 0.00 O ATOM 995 CB LEU A 64 3.739 -4.312 4.257 1.00 0.00 C ATOM 996 CG LEU A 64 3.889 -4.244 2.739 1.00 0.00 C ATOM 997 CD1 LEU A 64 5.374 -4.253 2.376 1.00 0.00 C ATOM 998 CD2 LEU A 64 3.201 -5.455 2.104 1.00 0.00 C ATOM 0 H LEU A 64 2.606 -3.275 6.255 1.00 0.00 H new ATOM 0 HA LEU A 64 1.647 -4.468 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.056 -3.371 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.384 -5.092 4.662 1.00 0.00 H new ATOM 0 HG LEU A 64 3.428 -3.329 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.484 -4.205 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.865 -3.392 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.834 -5.169 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.308 -5.407 1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.662 -6.371 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.143 -5.451 2.365 1.00 0.00 H new ATOM 1010 N PRO A 65 1.267 -6.798 4.535 1.00 0.00 N ATOM 1011 CA PRO A 65 1.063 -8.184 4.930 1.00 0.00 C ATOM 1012 C PRO A 65 2.404 -8.928 4.957 1.00 0.00 C ATOM 1013 O PRO A 65 2.964 -9.167 6.008 1.00 0.00 O ATOM 1014 CB PRO A 65 0.126 -8.755 3.867 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.614 -7.494 3.320 1.00 0.00 C ATOM 1016 CD PRO A 65 0.404 -6.323 3.443 1.00 0.00 C ATOM 0 HA PRO A 65 0.641 -8.282 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.677 -9.270 3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.571 -9.477 4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.921 -7.639 2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.517 -7.290 3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.961 -6.165 2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.084 -5.379 3.687 1.00 0.00 H new ATOM 1024 N GLU A 66 2.921 -9.295 3.815 1.00 0.00 N ATOM 1025 CA GLU A 66 4.217 -10.022 3.776 1.00 0.00 C ATOM 1026 C GLU A 66 4.528 -10.410 2.330 1.00 0.00 C ATOM 1027 O GLU A 66 5.668 -10.475 1.922 1.00 0.00 O ATOM 1028 CB GLU A 66 4.103 -11.291 4.617 1.00 0.00 C ATOM 1029 CG GLU A 66 5.494 -11.724 5.086 1.00 0.00 C ATOM 1030 CD GLU A 66 5.429 -13.157 5.618 1.00 0.00 C ATOM 1031 OE1 GLU A 66 5.133 -13.320 6.790 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.678 -14.067 4.844 1.00 0.00 O ATOM 0 H GLU A 66 2.497 -9.120 2.904 1.00 0.00 H new ATOM 0 HA GLU A 66 5.010 -9.386 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.458 -11.112 5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.642 -12.087 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.203 -11.663 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.853 -11.051 5.865 1.00 0.00 H new ATOM 1039 N LYS A 67 3.514 -10.668 1.552 1.00 0.00 N ATOM 1040 CA LYS A 67 3.734 -11.063 0.128 1.00 0.00 C ATOM 1041 C LYS A 67 4.470 -9.956 -0.642 1.00 0.00 C ATOM 1042 O LYS A 67 4.816 -10.127 -1.793 1.00 0.00 O ATOM 1043 CB LYS A 67 2.382 -11.324 -0.535 1.00 0.00 C ATOM 1044 CG LYS A 67 2.516 -12.475 -1.535 1.00 0.00 C ATOM 1045 CD LYS A 67 2.771 -13.781 -0.780 1.00 0.00 C ATOM 1046 CE LYS A 67 1.444 -14.508 -0.556 1.00 0.00 C ATOM 1047 NZ LYS A 67 1.648 -15.975 -0.724 1.00 0.00 N ATOM 0 H LYS A 67 2.537 -10.623 1.841 1.00 0.00 H new ATOM 0 HA LYS A 67 4.346 -11.965 0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.636 -11.570 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.035 -10.425 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.608 -12.559 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.335 -12.277 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.453 -14.414 -1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.250 -13.573 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.064 -14.295 0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.697 -14.150 -1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.746 -16.471 -0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.992 -16.170 -1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.348 -16.310 -0.032 1.00 0.00 H new ATOM 1061 N LEU A 68 4.711 -8.826 -0.033 1.00 0.00 N ATOM 1062 CA LEU A 68 5.421 -7.734 -0.761 1.00 0.00 C ATOM 1063 C LEU A 68 6.483 -7.115 0.149 1.00 0.00 C ATOM 1064 O LEU A 68 7.110 -6.134 -0.196 1.00 0.00 O ATOM 1065 CB LEU A 68 4.420 -6.651 -1.178 1.00 0.00 C ATOM 1066 CG LEU A 68 3.030 -7.266 -1.353 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.255 -7.153 -0.039 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.277 -6.517 -2.454 1.00 0.00 C ATOM 0 H LEU A 68 4.450 -8.612 0.929 1.00 0.00 H new ATOM 0 HA LEU A 68 5.897 -8.150 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.387 -5.864 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.741 -6.186 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 68 3.128 -8.316 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.264 -7.591 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.792 -7.685 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.156 -6.103 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.287 -6.954 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.178 -5.467 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.829 -6.595 -3.390 1.00 0.00 H new ATOM 1080 N ARG A 69 6.691 -7.675 1.309 1.00 0.00 N ATOM 1081 CA ARG A 69 7.712 -7.110 2.236 1.00 0.00 C ATOM 1082 C ARG A 69 9.032 -6.907 1.486 1.00 0.00 C ATOM 1083 O ARG A 69 9.568 -5.819 1.441 1.00 0.00 O ATOM 1084 CB ARG A 69 7.932 -8.076 3.402 1.00 0.00 C ATOM 1085 CG ARG A 69 8.628 -7.342 4.550 1.00 0.00 C ATOM 1086 CD ARG A 69 7.834 -7.544 5.842 1.00 0.00 C ATOM 1087 NE ARG A 69 7.980 -8.954 6.299 1.00 0.00 N ATOM 1088 CZ ARG A 69 7.812 -9.252 7.559 1.00 0.00 C ATOM 1089 NH1 ARG A 69 7.216 -8.407 8.356 1.00 0.00 N ATOM 1090 NH2 ARG A 69 8.239 -10.395 8.021 1.00 0.00 N ATOM 0 H ARG A 69 6.199 -8.499 1.655 1.00 0.00 H new ATOM 0 HA ARG A 69 7.362 -6.151 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.977 -8.478 3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.537 -8.922 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.644 -7.717 4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.706 -6.279 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.193 -6.862 6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.782 -7.312 5.675 1.00 0.00 H new ATOM 0 HE ARG A 69 8.211 -9.687 5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.882 -7.514 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.085 -8.640 9.340 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.704 -11.055 7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.108 -10.628 9.005 1.00 0.00 H new ATOM 1104 N TYR A 70 9.558 -7.946 0.896 1.00 0.00 N ATOM 1105 CA TYR A 70 10.842 -7.806 0.151 1.00 0.00 C ATOM 1106 C TYR A 70 10.751 -6.609 -0.798 1.00 0.00 C ATOM 1107 O TYR A 70 11.683 -5.843 -0.940 1.00 0.00 O ATOM 1108 CB TYR A 70 11.104 -9.080 -0.656 1.00 0.00 C ATOM 1109 CG TYR A 70 9.852 -9.467 -1.404 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.606 -8.941 -2.678 1.00 0.00 C ATOM 1111 CD2 TYR A 70 8.936 -10.353 -0.825 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.444 -9.300 -3.372 1.00 0.00 C ATOM 1113 CE2 TYR A 70 7.774 -10.713 -1.518 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.528 -10.186 -2.793 1.00 0.00 C ATOM 1115 OH TYR A 70 6.384 -10.540 -3.477 1.00 0.00 O ATOM 0 H TYR A 70 9.156 -8.883 0.897 1.00 0.00 H new ATOM 0 HA TYR A 70 11.658 -7.649 0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.923 -8.918 -1.356 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.408 -9.889 0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.313 -8.258 -3.126 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.126 -10.759 0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.254 -8.893 -4.354 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.068 -11.396 -1.070 1.00 0.00 H new ATOM 0 HH TYR A 70 5.614 -10.074 -3.090 1.00 0.00 H new ATOM 1125 N LEU A 71 9.632 -6.443 -1.447 1.00 0.00 N ATOM 1126 CA LEU A 71 9.473 -5.297 -2.386 1.00 0.00 C ATOM 1127 C LEU A 71 9.619 -3.983 -1.614 1.00 0.00 C ATOM 1128 O LEU A 71 10.210 -3.033 -2.091 1.00 0.00 O ATOM 1129 CB LEU A 71 8.086 -5.366 -3.029 1.00 0.00 C ATOM 1130 CG LEU A 71 8.186 -5.971 -4.426 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.807 -6.478 -4.852 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.658 -4.899 -5.408 1.00 0.00 C ATOM 0 H LEU A 71 8.819 -7.053 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 71 10.238 -5.345 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.419 -5.967 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.653 -4.367 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 71 8.896 -6.798 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.871 -6.912 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.465 -7.236 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.101 -5.647 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.731 -5.328 -6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.945 -4.075 -5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.636 -4.529 -5.100 1.00 0.00 H new ATOM 1144 N ALA A 72 9.086 -3.919 -0.424 1.00 0.00 N ATOM 1145 CA ALA A 72 9.197 -2.667 0.377 1.00 0.00 C ATOM 1146 C ALA A 72 10.622 -2.534 0.917 1.00 0.00 C ATOM 1147 O ALA A 72 11.025 -1.488 1.384 1.00 0.00 O ATOM 1148 CB ALA A 72 8.213 -2.722 1.547 1.00 0.00 C ATOM 0 H ALA A 72 8.579 -4.680 0.028 1.00 0.00 H new ATOM 0 HA ALA A 72 8.964 -1.809 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.293 -1.807 2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.197 -2.819 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.446 -3.579 2.179 1.00 0.00 H new ATOM 1154 N ASP A 73 11.388 -3.589 0.854 1.00 0.00 N ATOM 1155 CA ASP A 73 12.787 -3.524 1.362 1.00 0.00 C ATOM 1156 C ASP A 73 13.723 -3.114 0.225 1.00 0.00 C ATOM 1157 O ASP A 73 14.885 -2.826 0.435 1.00 0.00 O ATOM 1158 CB ASP A 73 13.202 -4.899 1.892 1.00 0.00 C ATOM 1159 CG ASP A 73 12.930 -4.969 3.397 1.00 0.00 C ATOM 1160 OD1 ASP A 73 12.400 -4.008 3.928 1.00 0.00 O ATOM 1161 OD2 ASP A 73 13.258 -5.983 3.991 1.00 0.00 O ATOM 0 H ASP A 73 11.105 -4.492 0.473 1.00 0.00 H new ATOM 0 HA ASP A 73 12.848 -2.791 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.648 -5.682 1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.260 -5.073 1.694 1.00 0.00 H new ATOM 1166 N ALA A 74 13.227 -3.085 -0.982 1.00 0.00 N ATOM 1167 CA ALA A 74 14.088 -2.693 -2.134 1.00 0.00 C ATOM 1168 C ALA A 74 14.468 -1.216 -2.009 1.00 0.00 C ATOM 1169 O ALA A 74 13.797 -0.462 -1.333 1.00 0.00 O ATOM 1170 CB ALA A 74 13.317 -2.904 -3.438 1.00 0.00 C ATOM 0 H ALA A 74 12.262 -3.316 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 74 14.991 -3.304 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.945 -2.618 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.040 -3.954 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.416 -2.290 -3.431 1.00 0.00 H new ATOM 1176 N PRO A 75 15.531 -0.845 -2.674 1.00 0.00 N ATOM 1177 CA PRO A 75 16.002 0.529 -2.659 1.00 0.00 C ATOM 1178 C PRO A 75 14.838 1.475 -2.964 1.00 0.00 C ATOM 1179 O PRO A 75 13.892 1.112 -3.635 1.00 0.00 O ATOM 1180 CB PRO A 75 17.052 0.584 -3.763 1.00 0.00 C ATOM 1181 CG PRO A 75 17.551 -0.893 -3.866 1.00 0.00 C ATOM 1182 CD PRO A 75 16.330 -1.777 -3.484 1.00 0.00 C ATOM 0 HA PRO A 75 16.411 0.830 -1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.626 0.930 -4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.864 1.265 -3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 75 17.898 -1.120 -4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.389 -1.071 -3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.787 -2.126 -4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.625 -2.661 -2.919 1.00 0.00 H new ATOM 1190 N GLN A 76 14.891 2.682 -2.475 1.00 0.00 N ATOM 1191 CA GLN A 76 13.778 3.637 -2.738 1.00 0.00 C ATOM 1192 C GLN A 76 14.335 4.927 -3.343 1.00 0.00 C ATOM 1193 O GLN A 76 13.807 5.997 -3.127 1.00 0.00 O ATOM 1194 CB GLN A 76 13.066 3.959 -1.423 1.00 0.00 C ATOM 1195 CG GLN A 76 14.099 4.347 -0.364 1.00 0.00 C ATOM 1196 CD GLN A 76 13.524 5.445 0.533 1.00 0.00 C ATOM 1197 OE1 GLN A 76 13.712 6.617 0.276 1.00 0.00 O ATOM 1198 NE2 GLN A 76 12.826 5.112 1.584 1.00 0.00 N ATOM 0 H GLN A 76 15.654 3.048 -1.906 1.00 0.00 H new ATOM 0 HA GLN A 76 13.073 3.187 -3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.358 4.774 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.492 3.095 -1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.366 3.476 0.235 1.00 0.00 H new ATOM 0 HG3 GLN A 76 15.013 4.696 -0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.668 4.128 1.800 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.439 5.836 2.189 1.00 0.00 H new ATOM 1207 N GLN A 77 15.386 4.837 -4.111 1.00 0.00 N ATOM 1208 CA GLN A 77 15.965 6.064 -4.729 1.00 0.00 C ATOM 1209 C GLN A 77 17.330 5.731 -5.335 1.00 0.00 C ATOM 1210 O GLN A 77 17.844 4.642 -5.169 1.00 0.00 O ATOM 1211 CB GLN A 77 16.135 7.145 -3.658 1.00 0.00 C ATOM 1212 CG GLN A 77 16.748 6.528 -2.400 1.00 0.00 C ATOM 1213 CD GLN A 77 18.259 6.385 -2.586 1.00 0.00 C ATOM 1214 OE1 GLN A 77 18.812 6.861 -3.559 1.00 0.00 O ATOM 1215 NE2 GLN A 77 18.958 5.745 -1.688 1.00 0.00 N ATOM 0 H GLN A 77 15.869 3.968 -4.337 1.00 0.00 H new ATOM 0 HA GLN A 77 15.297 6.428 -5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.775 7.944 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.170 7.593 -3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.535 7.155 -1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.301 5.553 -2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.496 5.345 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.967 5.645 -1.803 1.00 0.00 H new ATOM 1224 N ASP A 78 17.922 6.659 -6.035 1.00 0.00 N ATOM 1225 CA ASP A 78 19.255 6.393 -6.646 1.00 0.00 C ATOM 1226 C ASP A 78 20.271 7.418 -6.108 1.00 0.00 C ATOM 1227 O ASP A 78 19.938 8.222 -5.260 1.00 0.00 O ATOM 1228 CB ASP A 78 19.126 6.468 -8.179 1.00 0.00 C ATOM 1229 CG ASP A 78 19.376 7.894 -8.675 1.00 0.00 C ATOM 1230 OD1 ASP A 78 18.705 8.793 -8.196 1.00 0.00 O ATOM 1231 OD2 ASP A 78 20.232 8.062 -9.528 1.00 0.00 O ATOM 0 H ASP A 78 17.541 7.589 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 78 19.611 5.397 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 78 19.839 5.786 -8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.131 6.142 -8.481 1.00 0.00 H new ATOM 1236 N PRO A 79 21.486 7.346 -6.598 1.00 0.00 N ATOM 1237 CA PRO A 79 22.554 8.239 -6.158 1.00 0.00 C ATOM 1238 C PRO A 79 22.105 9.706 -6.200 1.00 0.00 C ATOM 1239 O PRO A 79 22.579 10.528 -5.442 1.00 0.00 O ATOM 1240 CB PRO A 79 23.687 7.991 -7.148 1.00 0.00 C ATOM 1241 CG PRO A 79 23.420 6.534 -7.639 1.00 0.00 C ATOM 1242 CD PRO A 79 21.874 6.369 -7.627 1.00 0.00 C ATOM 0 HA PRO A 79 22.850 8.048 -5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 79 23.665 8.704 -7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.664 8.083 -6.673 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.824 6.377 -8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.898 5.805 -6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.429 6.595 -8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.571 5.355 -7.366 1.00 0.00 H new ATOM 1250 N GLU A 80 21.202 10.042 -7.077 1.00 0.00 N ATOM 1251 CA GLU A 80 20.736 11.455 -7.161 1.00 0.00 C ATOM 1252 C GLU A 80 19.546 11.660 -6.221 1.00 0.00 C ATOM 1253 O GLU A 80 19.307 12.748 -5.735 1.00 0.00 O ATOM 1254 CB GLU A 80 20.311 11.768 -8.597 1.00 0.00 C ATOM 1255 CG GLU A 80 20.137 13.279 -8.761 1.00 0.00 C ATOM 1256 CD GLU A 80 18.646 13.623 -8.784 1.00 0.00 C ATOM 1257 OE1 GLU A 80 17.866 12.818 -8.300 1.00 0.00 O ATOM 1258 OE2 GLU A 80 18.310 14.683 -9.283 1.00 0.00 O ATOM 0 H GLU A 80 20.766 9.400 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 80 21.548 12.121 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.060 11.400 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.377 11.256 -8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.629 13.803 -7.942 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.612 13.612 -9.684 1.00 0.00 H new ATOM 1265 N GLY A 81 18.798 10.623 -5.958 1.00 0.00 N ATOM 1266 CA GLY A 81 17.628 10.760 -5.046 1.00 0.00 C ATOM 1267 C GLY A 81 16.344 10.890 -5.870 1.00 0.00 C ATOM 1268 O GLY A 81 15.415 11.570 -5.484 1.00 0.00 O ATOM 0 H GLY A 81 18.947 9.687 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.564 9.893 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.752 11.635 -4.408 1.00 0.00 H new ATOM 1272 N ASN A 82 16.284 10.239 -6.998 1.00 0.00 N ATOM 1273 CA ASN A 82 15.056 10.323 -7.841 1.00 0.00 C ATOM 1274 C ASN A 82 14.042 9.281 -7.363 1.00 0.00 C ATOM 1275 O ASN A 82 13.030 9.055 -7.993 1.00 0.00 O ATOM 1276 CB ASN A 82 15.418 10.047 -9.301 1.00 0.00 C ATOM 1277 CG ASN A 82 15.847 8.588 -9.456 1.00 0.00 C ATOM 1278 OD1 ASN A 82 15.086 7.686 -9.167 1.00 0.00 O ATOM 1279 ND2 ASN A 82 17.042 8.317 -9.904 1.00 0.00 N ATOM 0 H ASN A 82 17.030 9.653 -7.373 1.00 0.00 H new ATOM 0 HA ASN A 82 14.624 11.320 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.563 10.255 -9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.224 10.709 -9.618 1.00 0.00 H new ATOM 0 HD21 ASN A 82 17.338 7.347 -10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.680 9.075 -10.146 1.00 0.00 H new ATOM 1286 N LYS A 83 14.304 8.658 -6.245 1.00 0.00 N ATOM 1287 CA LYS A 83 13.367 7.640 -5.707 1.00 0.00 C ATOM 1288 C LYS A 83 13.128 6.526 -6.723 1.00 0.00 C ATOM 1289 O LYS A 83 12.990 6.763 -7.906 1.00 0.00 O ATOM 1290 CB LYS A 83 12.065 8.318 -5.349 1.00 0.00 C ATOM 1291 CG LYS A 83 12.385 9.398 -4.328 1.00 0.00 C ATOM 1292 CD LYS A 83 12.482 10.745 -5.033 1.00 0.00 C ATOM 1293 CE LYS A 83 11.389 11.680 -4.512 1.00 0.00 C ATOM 1294 NZ LYS A 83 11.636 13.061 -5.013 1.00 0.00 N ATOM 0 H LYS A 83 15.137 8.816 -5.678 1.00 0.00 H new ATOM 0 HA LYS A 83 13.802 7.185 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.601 8.752 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.357 7.598 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.611 9.431 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.324 9.170 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.464 11.186 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.377 10.611 -6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.410 11.332 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.379 11.673 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.893 13.697 -4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.563 13.391 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.624 13.060 -6.053 1.00 0.00 H new ATOM 1308 N THR A 84 13.068 5.308 -6.265 1.00 0.00 N ATOM 1309 CA THR A 84 12.826 4.178 -7.204 1.00 0.00 C ATOM 1310 C THR A 84 11.567 3.444 -6.771 1.00 0.00 C ATOM 1311 O THR A 84 11.320 3.244 -5.599 1.00 0.00 O ATOM 1312 CB THR A 84 14.016 3.217 -7.206 1.00 0.00 C ATOM 1313 OG1 THR A 84 13.711 2.092 -8.018 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.315 2.751 -5.782 1.00 0.00 C ATOM 0 H THR A 84 13.176 5.046 -5.285 1.00 0.00 H new ATOM 0 HA THR A 84 12.702 4.567 -8.214 1.00 0.00 H new ATOM 0 HB THR A 84 14.891 3.732 -7.603 1.00 0.00 H new ATOM 0 HG1 THR A 84 14.531 1.761 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.164 2.067 -5.794 1.00 0.00 H new ATOM 0 HG22 THR A 84 14.552 3.613 -5.159 1.00 0.00 H new ATOM 0 HG23 THR A 84 13.442 2.239 -5.376 1.00 0.00 H new ATOM 1322 N MET A 85 10.757 3.062 -7.710 1.00 0.00 N ATOM 1323 CA MET A 85 9.492 2.363 -7.366 1.00 0.00 C ATOM 1324 C MET A 85 9.580 0.890 -7.751 1.00 0.00 C ATOM 1325 O MET A 85 10.551 0.441 -8.326 1.00 0.00 O ATOM 1326 CB MET A 85 8.347 3.011 -8.141 1.00 0.00 C ATOM 1327 CG MET A 85 8.471 2.616 -9.608 1.00 0.00 C ATOM 1328 SD MET A 85 7.082 3.284 -10.543 1.00 0.00 S ATOM 1329 CE MET A 85 6.303 1.687 -10.862 1.00 0.00 C ATOM 0 H MET A 85 10.916 3.204 -8.708 1.00 0.00 H new ATOM 0 HA MET A 85 9.320 2.440 -6.292 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.387 2.685 -7.741 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.385 4.095 -8.036 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.409 2.991 -10.016 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.494 1.530 -9.701 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.291 1.844 -11.235 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.884 1.141 -11.606 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.263 1.110 -9.938 1.00 0.00 H new ATOM 1339 N VAL A 86 8.555 0.144 -7.462 1.00 0.00 N ATOM 1340 CA VAL A 86 8.558 -1.290 -7.831 1.00 0.00 C ATOM 1341 C VAL A 86 8.484 -1.405 -9.354 1.00 0.00 C ATOM 1342 O VAL A 86 7.952 -0.549 -10.031 1.00 0.00 O ATOM 1343 CB VAL A 86 7.350 -1.982 -7.198 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.146 -3.353 -7.846 1.00 0.00 C ATOM 1345 CG2 VAL A 86 7.594 -2.157 -5.698 1.00 0.00 C ATOM 0 H VAL A 86 7.714 0.469 -6.985 1.00 0.00 H new ATOM 0 HA VAL A 86 9.469 -1.768 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 86 6.459 -1.373 -7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.285 -3.845 -7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.973 -3.228 -8.915 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.035 -3.964 -7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.734 -2.650 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.485 -2.766 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.737 -1.180 -5.236 1.00 0.00 H new ATOM 1355 N ARG A 87 9.021 -2.454 -9.895 1.00 0.00 N ATOM 1356 CA ARG A 87 8.997 -2.642 -11.371 1.00 0.00 C ATOM 1357 C ARG A 87 8.988 -4.141 -11.667 1.00 0.00 C ATOM 1358 O ARG A 87 10.022 -4.768 -11.741 1.00 0.00 O ATOM 1359 CB ARG A 87 10.239 -2.007 -11.984 1.00 0.00 C ATOM 1360 CG ARG A 87 9.822 -1.123 -13.156 1.00 0.00 C ATOM 1361 CD ARG A 87 9.146 0.141 -12.630 1.00 0.00 C ATOM 1362 NE ARG A 87 9.639 1.325 -13.389 1.00 0.00 N ATOM 1363 CZ ARG A 87 8.834 2.321 -13.641 1.00 0.00 C ATOM 1364 NH1 ARG A 87 7.591 2.089 -13.969 1.00 0.00 N ATOM 1365 NH2 ARG A 87 9.270 3.548 -13.567 1.00 0.00 N ATOM 0 H ARG A 87 9.482 -3.200 -9.374 1.00 0.00 H new ATOM 0 HA ARG A 87 8.110 -2.172 -11.796 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.767 -1.415 -11.236 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.928 -2.780 -12.323 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.694 -0.859 -13.754 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.140 -1.667 -13.810 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.064 0.056 -12.732 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.358 0.264 -11.568 1.00 0.00 H new ATOM 0 HE ARG A 87 10.606 1.357 -13.712 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.250 1.130 -14.028 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.962 2.867 -14.166 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.241 3.730 -13.312 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.640 4.326 -13.764 1.00 0.00 H new ATOM 1379 N PHE A 88 7.835 -4.732 -11.814 1.00 0.00 N ATOM 1380 CA PHE A 88 7.790 -6.199 -12.074 1.00 0.00 C ATOM 1381 C PHE A 88 7.861 -6.471 -13.575 1.00 0.00 C ATOM 1382 O PHE A 88 7.063 -5.979 -14.348 1.00 0.00 O ATOM 1383 CB PHE A 88 6.489 -6.779 -11.521 1.00 0.00 C ATOM 1384 CG PHE A 88 6.391 -8.239 -11.895 1.00 0.00 C ATOM 1385 CD1 PHE A 88 7.067 -9.202 -11.136 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.623 -8.630 -12.998 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.973 -10.556 -11.480 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.529 -9.983 -13.341 1.00 0.00 C ATOM 1389 CZ PHE A 88 6.205 -10.946 -12.582 1.00 0.00 C ATOM 0 H PHE A 88 6.928 -4.268 -11.766 1.00 0.00 H new ATOM 0 HA PHE A 88 8.642 -6.668 -11.583 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.460 -6.667 -10.437 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.635 -6.232 -11.921 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.661 -8.901 -10.286 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.103 -7.887 -13.584 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.494 -11.299 -10.894 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.935 -10.285 -14.191 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.133 -11.990 -12.848 1.00 0.00 H new ATOM 1399 N SER A 89 8.810 -7.264 -13.988 1.00 0.00 N ATOM 1400 CA SER A 89 8.938 -7.588 -15.432 1.00 0.00 C ATOM 1401 C SER A 89 8.517 -9.041 -15.652 1.00 0.00 C ATOM 1402 O SER A 89 8.735 -9.894 -14.810 1.00 0.00 O ATOM 1403 CB SER A 89 10.391 -7.404 -15.873 1.00 0.00 C ATOM 1404 OG SER A 89 10.642 -6.024 -16.098 1.00 0.00 O ATOM 0 H SER A 89 9.504 -7.702 -13.383 1.00 0.00 H new ATOM 0 HA SER A 89 8.301 -6.925 -16.017 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.067 -7.788 -15.109 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.582 -7.973 -16.783 1.00 0.00 H new ATOM 0 HG SER A 89 11.280 -5.694 -15.431 1.00 0.00 H new ATOM 1410 N ARG A 90 7.919 -9.330 -16.774 1.00 0.00 N ATOM 1411 CA ARG A 90 7.484 -10.728 -17.046 1.00 0.00 C ATOM 1412 C ARG A 90 8.622 -11.481 -17.731 1.00 0.00 C ATOM 1413 O ARG A 90 8.723 -12.689 -17.643 1.00 0.00 O ATOM 1414 CB ARG A 90 6.256 -10.713 -17.960 1.00 0.00 C ATOM 1415 CG ARG A 90 4.995 -10.942 -17.125 1.00 0.00 C ATOM 1416 CD ARG A 90 3.804 -11.179 -18.054 1.00 0.00 C ATOM 1417 NE ARG A 90 2.877 -12.167 -17.432 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.221 -13.008 -18.184 1.00 0.00 C ATOM 1419 NH1 ARG A 90 2.123 -12.798 -19.468 1.00 0.00 N ATOM 1420 NH2 ARG A 90 1.661 -14.060 -17.649 1.00 0.00 N ATOM 0 H ARG A 90 7.713 -8.659 -17.514 1.00 0.00 H new ATOM 0 HA ARG A 90 7.229 -11.223 -16.109 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.190 -9.759 -18.483 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.347 -11.488 -18.721 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.133 -11.800 -16.467 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.806 -10.078 -16.488 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.281 -10.241 -18.239 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.150 -11.547 -19.020 1.00 0.00 H new ATOM 0 HE ARG A 90 2.756 -12.186 -16.419 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.559 -11.976 -19.885 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.610 -13.456 -20.055 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.737 -14.223 -16.645 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.148 -14.718 -18.235 1.00 0.00 H new ATOM 1434 N LYS A 91 9.489 -10.777 -18.406 1.00 0.00 N ATOM 1435 CA LYS A 91 10.624 -11.454 -19.086 1.00 0.00 C ATOM 1436 C LYS A 91 11.261 -12.447 -18.114 1.00 0.00 C ATOM 1437 O LYS A 91 11.848 -13.434 -18.513 1.00 0.00 O ATOM 1438 CB LYS A 91 11.665 -10.414 -19.505 1.00 0.00 C ATOM 1439 CG LYS A 91 11.333 -9.895 -20.906 1.00 0.00 C ATOM 1440 CD LYS A 91 10.112 -8.975 -20.834 1.00 0.00 C ATOM 1441 CE LYS A 91 10.367 -7.866 -19.812 1.00 0.00 C ATOM 1442 NZ LYS A 91 10.039 -6.546 -20.420 1.00 0.00 N ATOM 0 H LYS A 91 9.459 -9.763 -18.515 1.00 0.00 H new ATOM 0 HA LYS A 91 10.264 -11.978 -19.971 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.677 -9.589 -18.793 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.661 -10.857 -19.496 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.186 -9.354 -21.316 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.133 -10.730 -21.577 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.912 -8.542 -21.814 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.228 -9.548 -20.552 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.759 -8.030 -18.922 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.409 -7.883 -19.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.212 -5.791 -19.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.637 -6.391 -21.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.038 -6.533 -20.703 1.00 0.00 H new ATOM 1456 N THR A 92 11.148 -12.193 -16.839 1.00 0.00 N ATOM 1457 CA THR A 92 11.745 -13.120 -15.839 1.00 0.00 C ATOM 1458 C THR A 92 10.799 -13.266 -14.646 1.00 0.00 C ATOM 1459 O THR A 92 11.137 -13.869 -13.647 1.00 0.00 O ATOM 1460 CB THR A 92 13.083 -12.555 -15.357 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.023 -11.136 -15.357 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.201 -13.020 -16.289 1.00 0.00 C ATOM 0 H THR A 92 10.668 -11.383 -16.447 1.00 0.00 H new ATOM 0 HA THR A 92 11.903 -14.095 -16.299 1.00 0.00 H new ATOM 0 HB THR A 92 13.285 -12.911 -14.347 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.879 -10.772 -15.047 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.153 -12.617 -15.944 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.246 -14.109 -16.288 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.002 -12.666 -17.301 1.00 0.00 H new ATOM 1470 N LYS A 93 9.617 -12.719 -14.740 1.00 0.00 N ATOM 1471 CA LYS A 93 8.657 -12.826 -13.606 1.00 0.00 C ATOM 1472 C LYS A 93 9.396 -12.552 -12.295 1.00 0.00 C ATOM 1473 O LYS A 93 9.546 -13.424 -11.463 1.00 0.00 O ATOM 1474 CB LYS A 93 8.062 -14.236 -13.572 1.00 0.00 C ATOM 1475 CG LYS A 93 6.621 -14.195 -14.087 1.00 0.00 C ATOM 1476 CD LYS A 93 6.436 -15.259 -15.171 1.00 0.00 C ATOM 1477 CE LYS A 93 5.524 -16.369 -14.645 1.00 0.00 C ATOM 1478 NZ LYS A 93 5.700 -17.592 -15.478 1.00 0.00 N ATOM 0 H LYS A 93 9.276 -12.204 -15.552 1.00 0.00 H new ATOM 0 HA LYS A 93 7.855 -12.099 -13.734 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.660 -14.909 -14.186 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.085 -14.627 -12.555 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.925 -14.372 -13.267 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.395 -13.207 -14.489 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.003 -14.811 -16.065 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.403 -15.673 -15.458 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.762 -16.588 -13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.484 -16.044 -14.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.080 -18.347 -15.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.452 -17.378 -16.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.691 -17.905 -15.430 1.00 0.00 H new ATOM 1492 N GLN A 94 9.865 -11.348 -12.106 1.00 0.00 N ATOM 1493 CA GLN A 94 10.601 -11.031 -10.846 1.00 0.00 C ATOM 1494 C GLN A 94 10.314 -9.588 -10.423 1.00 0.00 C ATOM 1495 O GLN A 94 9.722 -8.821 -11.155 1.00 0.00 O ATOM 1496 CB GLN A 94 12.105 -11.199 -11.082 1.00 0.00 C ATOM 1497 CG GLN A 94 12.436 -12.686 -11.228 1.00 0.00 C ATOM 1498 CD GLN A 94 13.712 -12.848 -12.057 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.951 -13.895 -12.625 1.00 0.00 O ATOM 1500 NE2 GLN A 94 14.546 -11.849 -12.152 1.00 0.00 N ATOM 0 H GLN A 94 9.772 -10.574 -12.764 1.00 0.00 H new ATOM 0 HA GLN A 94 10.272 -11.709 -10.058 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.406 -10.659 -11.980 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.664 -10.771 -10.250 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.569 -13.138 -10.245 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.609 -13.208 -11.709 1.00 0.00 H new ATOM 0 HE21 GLN A 94 14.345 -10.970 -11.675 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.399 -11.947 -12.703 1.00 0.00 H new ATOM 1509 N GLN A 95 10.733 -9.212 -9.242 1.00 0.00 N ATOM 1510 CA GLN A 95 10.488 -7.819 -8.774 1.00 0.00 C ATOM 1511 C GLN A 95 11.775 -7.001 -8.895 1.00 0.00 C ATOM 1512 O GLN A 95 12.775 -7.298 -8.271 1.00 0.00 O ATOM 1513 CB GLN A 95 10.035 -7.828 -7.309 1.00 0.00 C ATOM 1514 CG GLN A 95 8.510 -7.763 -7.239 1.00 0.00 C ATOM 1515 CD GLN A 95 8.017 -6.514 -7.971 1.00 0.00 C ATOM 1516 OE1 GLN A 95 8.806 -5.731 -8.461 1.00 0.00 O ATOM 1517 NE2 GLN A 95 6.734 -6.292 -8.067 1.00 0.00 N ATOM 0 H GLN A 95 11.233 -9.810 -8.584 1.00 0.00 H new ATOM 0 HA GLN A 95 9.708 -7.373 -9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.393 -8.731 -6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.469 -6.980 -6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.077 -8.656 -7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.184 -7.740 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.071 -6.949 -7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.395 -5.462 -8.553 1.00 0.00 H new ATOM 1526 N TYR A 96 11.749 -5.964 -9.683 1.00 0.00 N ATOM 1527 CA TYR A 96 12.957 -5.107 -9.840 1.00 0.00 C ATOM 1528 C TYR A 96 12.526 -3.642 -9.688 1.00 0.00 C ATOM 1529 O TYR A 96 11.484 -3.251 -10.157 1.00 0.00 O ATOM 1530 CB TYR A 96 13.611 -5.382 -11.209 1.00 0.00 C ATOM 1531 CG TYR A 96 13.099 -4.438 -12.275 1.00 0.00 C ATOM 1532 CD1 TYR A 96 13.618 -3.143 -12.366 1.00 0.00 C ATOM 1533 CD2 TYR A 96 12.124 -4.866 -13.183 1.00 0.00 C ATOM 1534 CE1 TYR A 96 13.159 -2.272 -13.362 1.00 0.00 C ATOM 1535 CE2 TYR A 96 11.666 -3.997 -14.181 1.00 0.00 C ATOM 1536 CZ TYR A 96 12.184 -2.700 -14.270 1.00 0.00 C ATOM 1537 OH TYR A 96 11.733 -1.844 -15.255 1.00 0.00 O ATOM 0 H TYR A 96 10.938 -5.671 -10.228 1.00 0.00 H new ATOM 0 HA TYR A 96 13.702 -5.331 -9.077 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.693 -5.280 -11.122 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.411 -6.411 -11.508 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.373 -2.814 -11.668 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.725 -5.867 -13.114 1.00 0.00 H new ATOM 0 HE1 TYR A 96 13.557 -1.270 -13.429 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.913 -4.328 -14.882 1.00 0.00 H new ATOM 0 HH TYR A 96 12.197 -0.984 -15.178 1.00 0.00 H new ATOM 1547 N VAL A 97 13.298 -2.842 -9.004 1.00 0.00 N ATOM 1548 CA VAL A 97 12.901 -1.409 -8.787 1.00 0.00 C ATOM 1549 C VAL A 97 13.415 -0.543 -9.935 1.00 0.00 C ATOM 1550 O VAL A 97 14.203 -0.971 -10.750 1.00 0.00 O ATOM 1551 CB VAL A 97 13.501 -0.893 -7.466 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.441 -0.121 -6.689 1.00 0.00 C ATOM 1553 CG2 VAL A 97 13.991 -2.063 -6.604 1.00 0.00 C ATOM 0 H VAL A 97 14.187 -3.113 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 97 11.813 -1.353 -8.745 1.00 0.00 H new ATOM 0 HB VAL A 97 14.343 -0.242 -7.701 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.868 0.243 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.097 0.725 -7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.599 -0.778 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.412 -1.679 -5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.154 -2.724 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 97 14.756 -2.619 -7.146 1.00 0.00 H new ATOM 1563 N SER A 98 12.957 0.676 -10.006 1.00 0.00 N ATOM 1564 CA SER A 98 13.396 1.579 -11.102 1.00 0.00 C ATOM 1565 C SER A 98 13.451 3.023 -10.588 1.00 0.00 C ATOM 1566 O SER A 98 12.437 3.632 -10.312 1.00 0.00 O ATOM 1567 CB SER A 98 12.387 1.474 -12.248 1.00 0.00 C ATOM 1568 OG SER A 98 11.342 2.415 -12.040 1.00 0.00 O ATOM 0 H SER A 98 12.294 1.086 -9.348 1.00 0.00 H new ATOM 0 HA SER A 98 14.388 1.292 -11.451 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.880 1.665 -13.201 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.979 0.465 -12.297 1.00 0.00 H new ATOM 0 HG SER A 98 11.273 2.621 -11.084 1.00 0.00 H new ATOM 1574 N SER A 99 14.630 3.575 -10.457 1.00 0.00 N ATOM 1575 CA SER A 99 14.750 4.977 -9.961 1.00 0.00 C ATOM 1576 C SER A 99 14.123 5.929 -10.985 1.00 0.00 C ATOM 1577 O SER A 99 14.695 6.199 -12.023 1.00 0.00 O ATOM 1578 CB SER A 99 16.225 5.334 -9.783 1.00 0.00 C ATOM 1579 OG SER A 99 16.968 4.149 -9.537 1.00 0.00 O ATOM 0 H SER A 99 15.514 3.115 -10.672 1.00 0.00 H new ATOM 0 HA SER A 99 14.235 5.069 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.600 5.834 -10.676 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.345 6.031 -8.954 1.00 0.00 H new ATOM 0 HG SER A 99 16.412 3.511 -9.043 1.00 0.00 H new ATOM 1585 N GLU A 100 12.952 6.435 -10.710 1.00 0.00 N ATOM 1586 CA GLU A 100 12.299 7.361 -11.678 1.00 0.00 C ATOM 1587 C GLU A 100 12.287 8.784 -11.110 1.00 0.00 C ATOM 1588 O GLU A 100 11.844 9.017 -10.003 1.00 0.00 O ATOM 1589 CB GLU A 100 10.861 6.903 -11.930 1.00 0.00 C ATOM 1590 CG GLU A 100 10.182 7.861 -12.910 1.00 0.00 C ATOM 1591 CD GLU A 100 8.907 8.422 -12.277 1.00 0.00 C ATOM 1592 OE1 GLU A 100 8.993 8.936 -11.174 1.00 0.00 O ATOM 1593 OE2 GLU A 100 7.866 8.326 -12.905 1.00 0.00 O ATOM 0 H GLU A 100 12.421 6.248 -9.860 1.00 0.00 H new ATOM 0 HA GLU A 100 12.857 7.352 -12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.857 5.890 -12.333 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.308 6.875 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.860 8.674 -13.169 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.941 7.340 -13.837 1.00 0.00 H new ATOM 1600 N LYS A 101 12.767 9.736 -11.865 1.00 0.00 N ATOM 1601 CA LYS A 101 12.779 11.143 -11.375 1.00 0.00 C ATOM 1602 C LYS A 101 11.433 11.802 -11.658 1.00 0.00 C ATOM 1603 O LYS A 101 11.137 12.172 -12.775 1.00 0.00 O ATOM 1604 CB LYS A 101 13.880 11.919 -12.073 1.00 0.00 C ATOM 1605 CG LYS A 101 14.706 12.615 -11.001 1.00 0.00 C ATOM 1606 CD LYS A 101 16.176 12.598 -11.401 1.00 0.00 C ATOM 1607 CE LYS A 101 16.639 14.019 -11.724 1.00 0.00 C ATOM 1608 NZ LYS A 101 17.913 13.963 -12.496 1.00 0.00 N ATOM 0 H LYS A 101 13.151 9.599 -12.800 1.00 0.00 H new ATOM 0 HA LYS A 101 12.961 11.144 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.505 11.249 -12.663 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.456 12.649 -12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.365 13.642 -10.874 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.573 12.114 -10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.778 12.184 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.320 11.953 -12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.875 14.540 -12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.784 14.584 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.228 14.929 -12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.641 13.482 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.760 13.439 -13.381 1.00 0.00 H new ATOM 1622 N ASP A 102 10.613 11.951 -10.652 1.00 0.00 N ATOM 1623 CA ASP A 102 9.284 12.586 -10.864 1.00 0.00 C ATOM 1624 C ASP A 102 8.472 11.750 -11.847 1.00 0.00 C ATOM 1625 O ASP A 102 7.721 10.872 -11.469 1.00 0.00 O ATOM 1626 CB ASP A 102 9.476 13.996 -11.427 1.00 0.00 C ATOM 1627 CG ASP A 102 8.124 14.555 -11.877 1.00 0.00 C ATOM 1628 OD1 ASP A 102 7.120 14.138 -11.325 1.00 0.00 O ATOM 1629 OD2 ASP A 102 8.118 15.391 -12.765 1.00 0.00 O ATOM 0 H ASP A 102 10.808 11.660 -9.694 1.00 0.00 H new ATOM 0 HA ASP A 102 8.753 12.645 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.916 14.645 -10.669 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.170 13.972 -12.268 1.00 0.00 H new ATOM 1634 N GLY A 103 8.622 12.019 -13.105 1.00 0.00 N ATOM 1635 CA GLY A 103 7.869 11.250 -14.135 1.00 0.00 C ATOM 1636 C GLY A 103 8.627 11.293 -15.463 1.00 0.00 C ATOM 1637 O GLY A 103 8.082 11.648 -16.489 1.00 0.00 O ATOM 0 H GLY A 103 9.238 12.744 -13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 103 7.741 10.217 -13.811 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.871 11.671 -14.260 1.00 0.00 H new ATOM 1641 N LYS A 104 9.882 10.936 -15.452 1.00 0.00 N ATOM 1642 CA LYS A 104 10.674 10.958 -16.716 1.00 0.00 C ATOM 1643 C LYS A 104 11.527 9.692 -16.806 1.00 0.00 C ATOM 1644 O LYS A 104 12.385 9.570 -17.657 1.00 0.00 O ATOM 1645 CB LYS A 104 11.583 12.190 -16.726 1.00 0.00 C ATOM 1646 CG LYS A 104 12.740 11.984 -15.743 1.00 0.00 C ATOM 1647 CD LYS A 104 13.736 13.136 -15.877 1.00 0.00 C ATOM 1648 CE LYS A 104 13.263 14.323 -15.036 1.00 0.00 C ATOM 1649 NZ LYS A 104 14.238 15.442 -15.162 1.00 0.00 N ATOM 0 H LYS A 104 10.393 10.630 -14.624 1.00 0.00 H new ATOM 0 HA LYS A 104 9.997 10.999 -17.569 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.972 12.359 -17.730 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.013 13.077 -16.451 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.360 11.935 -14.723 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.237 11.035 -15.944 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.725 12.815 -15.548 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.828 13.431 -16.922 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.277 14.647 -15.368 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.167 14.027 -13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.916 16.249 -14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.171 15.129 -14.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.309 15.730 -16.159 1.00 0.00 H new ATOM 1663 N ALA A 105 11.300 8.747 -15.934 1.00 0.00 N ATOM 1664 CA ALA A 105 12.102 7.492 -15.972 1.00 0.00 C ATOM 1665 C ALA A 105 13.590 7.843 -15.998 1.00 0.00 C ATOM 1666 O ALA A 105 13.964 9.000 -16.031 1.00 0.00 O ATOM 1667 CB ALA A 105 11.744 6.695 -17.229 1.00 0.00 C ATOM 0 H ALA A 105 10.595 8.790 -15.198 1.00 0.00 H new ATOM 0 HA ALA A 105 11.883 6.892 -15.088 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.331 5.777 -17.257 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.683 6.447 -17.213 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.963 7.293 -18.114 1.00 0.00 H new ATOM 1673 N THR A 106 14.445 6.858 -15.982 1.00 0.00 N ATOM 1674 CA THR A 106 15.907 7.143 -16.004 1.00 0.00 C ATOM 1675 C THR A 106 16.662 5.912 -16.513 1.00 0.00 C ATOM 1676 O THR A 106 17.401 5.980 -17.475 1.00 0.00 O ATOM 1677 CB THR A 106 16.380 7.482 -14.588 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.248 6.336 -13.759 1.00 0.00 O ATOM 1679 CG2 THR A 106 15.530 8.622 -14.024 1.00 0.00 C ATOM 0 H THR A 106 14.195 5.870 -15.955 1.00 0.00 H new ATOM 0 HA THR A 106 16.103 7.987 -16.666 1.00 0.00 H new ATOM 0 HB THR A 106 17.425 7.791 -14.618 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.726 6.567 -12.963 1.00 0.00 H new ATOM 0 HG21 THR A 106 15.867 8.863 -13.016 1.00 0.00 H new ATOM 0 HG22 THR A 106 15.632 9.501 -14.660 1.00 0.00 H new ATOM 0 HG23 THR A 106 14.484 8.315 -13.993 1.00 0.00 H new ATOM 1687 N GLY A 107 16.484 4.789 -15.874 1.00 0.00 N ATOM 1688 CA GLY A 107 17.193 3.555 -16.322 1.00 0.00 C ATOM 1689 C GLY A 107 17.600 2.729 -15.101 1.00 0.00 C ATOM 1690 O GLY A 107 17.405 1.530 -15.058 1.00 0.00 O ATOM 0 H GLY A 107 15.879 4.671 -15.061 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.546 2.967 -16.973 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.075 3.821 -16.905 1.00 0.00 H new ATOM 1694 N TRP A 108 18.163 3.361 -14.108 1.00 0.00 N ATOM 1695 CA TRP A 108 18.581 2.615 -12.887 1.00 0.00 C ATOM 1696 C TRP A 108 17.480 1.630 -12.491 1.00 0.00 C ATOM 1697 O TRP A 108 16.351 2.009 -12.252 1.00 0.00 O ATOM 1698 CB TRP A 108 18.813 3.604 -11.745 1.00 0.00 C ATOM 1699 CG TRP A 108 19.467 2.907 -10.593 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.789 2.945 -10.315 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.855 2.077 -9.562 1.00 0.00 C ATOM 1702 NE1 TRP A 108 21.029 2.195 -9.176 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.867 1.640 -8.676 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.533 1.666 -9.311 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.577 0.826 -7.580 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.239 0.848 -8.210 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.259 0.430 -7.346 1.00 0.00 C ATOM 0 H TRP A 108 18.352 4.363 -14.089 1.00 0.00 H new ATOM 0 HA TRP A 108 19.502 2.068 -13.090 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.440 4.427 -12.087 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.864 4.037 -11.428 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.536 3.474 -10.888 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.951 2.068 -8.758 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.739 1.983 -9.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.367 0.505 -6.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.220 0.539 -8.028 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.026 -0.198 -6.499 1.00 0.00 H new ATOM 1718 N SER A 109 17.799 0.368 -12.421 1.00 0.00 N ATOM 1719 CA SER A 109 16.771 -0.641 -12.041 1.00 0.00 C ATOM 1720 C SER A 109 17.389 -1.650 -11.069 1.00 0.00 C ATOM 1721 O SER A 109 18.352 -2.319 -11.385 1.00 0.00 O ATOM 1722 CB SER A 109 16.290 -1.370 -13.295 1.00 0.00 C ATOM 1723 OG SER A 109 17.412 -1.879 -14.003 1.00 0.00 O ATOM 0 H SER A 109 18.728 -0.009 -12.611 1.00 0.00 H new ATOM 0 HA SER A 109 15.927 -0.144 -11.563 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.619 -2.184 -13.021 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.723 -0.689 -13.930 1.00 0.00 H new ATOM 0 HG SER A 109 17.606 -2.790 -13.698 1.00 0.00 H new ATOM 1729 N ALA A 110 16.845 -1.766 -9.888 1.00 0.00 N ATOM 1730 CA ALA A 110 17.409 -2.733 -8.902 1.00 0.00 C ATOM 1731 C ALA A 110 16.729 -4.090 -9.075 1.00 0.00 C ATOM 1732 O ALA A 110 15.652 -4.188 -9.626 1.00 0.00 O ATOM 1733 CB ALA A 110 17.163 -2.219 -7.483 1.00 0.00 C ATOM 0 H ALA A 110 16.037 -1.235 -9.563 1.00 0.00 H new ATOM 0 HA ALA A 110 18.481 -2.838 -9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.575 -2.926 -6.763 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.647 -1.250 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.091 -2.114 -7.315 1.00 0.00 H new ATOM 1739 N PHE A 111 17.347 -5.141 -8.609 1.00 0.00 N ATOM 1740 CA PHE A 111 16.726 -6.487 -8.753 1.00 0.00 C ATOM 1741 C PHE A 111 16.731 -7.206 -7.407 1.00 0.00 C ATOM 1742 O PHE A 111 17.729 -7.247 -6.717 1.00 0.00 O ATOM 1743 CB PHE A 111 17.514 -7.317 -9.768 1.00 0.00 C ATOM 1744 CG PHE A 111 17.745 -6.509 -11.020 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.888 -5.710 -11.133 1.00 0.00 C ATOM 1746 CD2 PHE A 111 16.821 -6.562 -12.069 1.00 0.00 C ATOM 1747 CE1 PHE A 111 19.107 -4.963 -12.295 1.00 0.00 C ATOM 1748 CE2 PHE A 111 17.040 -5.814 -13.232 1.00 0.00 C ATOM 1749 CZ PHE A 111 18.183 -5.016 -13.344 1.00 0.00 C ATOM 0 H PHE A 111 18.251 -5.126 -8.137 1.00 0.00 H new ATOM 0 HA PHE A 111 15.699 -6.366 -9.099 1.00 0.00 H new ATOM 0 HB2 PHE A 111 18.469 -7.621 -9.339 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.967 -8.229 -10.008 1.00 0.00 H new ATOM 0 HD1 PHE A 111 19.601 -5.670 -10.323 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.939 -7.180 -11.982 1.00 0.00 H new ATOM 0 HE1 PHE A 111 19.989 -4.346 -12.382 1.00 0.00 H new ATOM 0 HE2 PHE A 111 16.327 -5.853 -14.042 1.00 0.00 H new ATOM 0 HZ PHE A 111 18.353 -4.440 -14.242 1.00 0.00 H new ATOM 1759 N TYR A 112 15.623 -7.779 -7.035 1.00 0.00 N ATOM 1760 CA TYR A 112 15.557 -8.504 -5.737 1.00 0.00 C ATOM 1761 C TYR A 112 16.086 -9.924 -5.926 1.00 0.00 C ATOM 1762 O TYR A 112 15.424 -10.772 -6.492 1.00 0.00 O ATOM 1763 CB TYR A 112 14.106 -8.564 -5.261 1.00 0.00 C ATOM 1764 CG TYR A 112 14.058 -9.119 -3.857 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.864 -8.564 -2.857 1.00 0.00 C ATOM 1766 CD2 TYR A 112 13.209 -10.191 -3.558 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.820 -9.080 -1.556 1.00 0.00 C ATOM 1768 CE2 TYR A 112 13.164 -10.706 -2.257 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.970 -10.151 -1.256 1.00 0.00 C ATOM 1770 OH TYR A 112 13.927 -10.660 0.027 1.00 0.00 O ATOM 0 H TYR A 112 14.758 -7.777 -7.575 1.00 0.00 H new ATOM 0 HA TYR A 112 16.162 -7.982 -4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.663 -7.568 -5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.518 -9.191 -5.931 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.520 -7.738 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.589 -10.621 -4.331 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.442 -8.652 -0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.507 -11.532 -2.026 1.00 0.00 H new ATOM 0 HH TYR A 112 13.285 -11.399 0.064 1.00 0.00 H new ATOM 1780 N VAL A 113 17.268 -10.199 -5.448 1.00 0.00 N ATOM 1781 CA VAL A 113 17.822 -11.565 -5.594 1.00 0.00 C ATOM 1782 C VAL A 113 17.448 -12.360 -4.345 1.00 0.00 C ATOM 1783 O VAL A 113 16.403 -12.150 -3.772 1.00 0.00 O ATOM 1784 CB VAL A 113 19.345 -11.492 -5.747 1.00 0.00 C ATOM 1785 CG1 VAL A 113 19.843 -12.744 -6.470 1.00 0.00 C ATOM 1786 CG2 VAL A 113 19.723 -10.257 -6.572 1.00 0.00 C ATOM 0 H VAL A 113 17.871 -9.534 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 113 17.415 -12.052 -6.480 1.00 0.00 H new ATOM 0 HB VAL A 113 19.802 -11.426 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 113 20.926 -12.694 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 113 19.577 -13.628 -5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 113 19.381 -12.803 -7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.807 -10.208 -6.679 1.00 0.00 H new ATOM 0 HG22 VAL A 113 19.264 -10.324 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 113 19.368 -9.359 -6.067 1.00 0.00 H new ATOM 1796 N ASP A 114 18.295 -13.233 -3.890 1.00 0.00 N ATOM 1797 CA ASP A 114 17.966 -14.003 -2.654 1.00 0.00 C ATOM 1798 C ASP A 114 18.003 -13.012 -1.512 1.00 0.00 C ATOM 1799 O ASP A 114 19.030 -12.806 -0.896 1.00 0.00 O ATOM 1800 CB ASP A 114 19.009 -15.101 -2.428 1.00 0.00 C ATOM 1801 CG ASP A 114 18.374 -16.469 -2.683 1.00 0.00 C ATOM 1802 OD1 ASP A 114 17.392 -16.775 -2.027 1.00 0.00 O ATOM 1803 OD2 ASP A 114 18.881 -17.187 -3.529 1.00 0.00 O ATOM 0 H ASP A 114 19.197 -13.450 -4.314 1.00 0.00 H new ATOM 0 HA ASP A 114 16.990 -14.481 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.859 -14.953 -3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.391 -15.050 -1.408 1.00 0.00 H new ATOM 1808 N GLY A 115 16.915 -12.329 -1.267 1.00 0.00 N ATOM 1809 CA GLY A 115 16.950 -11.285 -0.218 1.00 0.00 C ATOM 1810 C GLY A 115 18.174 -10.433 -0.536 1.00 0.00 C ATOM 1811 O GLY A 115 18.793 -9.847 0.328 1.00 0.00 O ATOM 0 H GLY A 115 16.021 -12.450 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.040 -10.685 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.027 -11.728 0.775 1.00 0.00 H new ATOM 1815 N LYS A 116 18.550 -10.413 -1.800 1.00 0.00 N ATOM 1816 CA LYS A 116 19.766 -9.658 -2.208 1.00 0.00 C ATOM 1817 C LYS A 116 19.434 -8.613 -3.274 1.00 0.00 C ATOM 1818 O LYS A 116 19.808 -8.755 -4.420 1.00 0.00 O ATOM 1819 CB LYS A 116 20.792 -10.635 -2.784 1.00 0.00 C ATOM 1820 CG LYS A 116 21.960 -10.793 -1.809 1.00 0.00 C ATOM 1821 CD LYS A 116 21.438 -11.278 -0.455 1.00 0.00 C ATOM 1822 CE LYS A 116 21.893 -12.719 -0.218 1.00 0.00 C ATOM 1823 NZ LYS A 116 23.271 -12.719 0.348 1.00 0.00 N ATOM 0 H LYS A 116 18.062 -10.889 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 116 20.165 -9.150 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 116 20.324 -11.603 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 116 21.155 -10.271 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.685 -11.504 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.479 -9.842 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.809 -10.633 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.350 -11.221 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 116 21.208 -13.220 0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.873 -13.276 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.580 -13.699 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.921 -12.256 -0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 23.276 -12.202 1.250 1.00 0.00 H new ATOM 1837 N TRP A 117 18.758 -7.555 -2.920 1.00 0.00 N ATOM 1838 CA TRP A 117 18.449 -6.520 -3.944 1.00 0.00 C ATOM 1839 C TRP A 117 19.748 -6.148 -4.662 1.00 0.00 C ATOM 1840 O TRP A 117 20.830 -6.368 -4.153 1.00 0.00 O ATOM 1841 CB TRP A 117 17.860 -5.281 -3.273 1.00 0.00 C ATOM 1842 CG TRP A 117 16.381 -5.445 -3.138 1.00 0.00 C ATOM 1843 CD1 TRP A 117 15.734 -5.687 -1.977 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.355 -5.384 -4.174 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.378 -5.780 -2.230 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.093 -5.599 -3.568 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.392 -5.167 -5.567 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 12.913 -5.597 -4.313 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.207 -5.163 -6.315 1.00 0.00 C ATOM 1850 CH2 TRP A 117 12.970 -5.377 -5.691 1.00 0.00 C ATOM 0 H TRP A 117 18.411 -7.364 -1.980 1.00 0.00 H new ATOM 0 HA TRP A 117 17.722 -6.909 -4.657 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.312 -5.136 -2.292 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.086 -4.393 -3.863 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.200 -5.791 -1.008 1.00 0.00 H new ATOM 0 HE1 TRP A 117 13.674 -5.960 -1.515 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.339 -5.003 -6.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 11.963 -5.764 -3.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.247 -4.994 -7.381 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.062 -5.372 -6.275 1.00 0.00 H new ATOM 1861 N VAL A 118 19.661 -5.596 -5.839 1.00 0.00 N ATOM 1862 CA VAL A 118 20.904 -5.228 -6.577 1.00 0.00 C ATOM 1863 C VAL A 118 20.633 -4.019 -7.474 1.00 0.00 C ATOM 1864 O VAL A 118 19.601 -3.387 -7.385 1.00 0.00 O ATOM 1865 CB VAL A 118 21.354 -6.410 -7.441 1.00 0.00 C ATOM 1866 CG1 VAL A 118 22.293 -7.306 -6.639 1.00 0.00 C ATOM 1867 CG2 VAL A 118 20.139 -7.229 -7.863 1.00 0.00 C ATOM 0 H VAL A 118 18.788 -5.384 -6.322 1.00 0.00 H new ATOM 0 HA VAL A 118 21.687 -4.979 -5.861 1.00 0.00 H new ATOM 0 HB VAL A 118 21.869 -6.028 -8.322 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.611 -8.146 -7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 118 23.167 -6.733 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.773 -7.681 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 118 20.462 -8.069 -8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.627 -7.604 -6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 118 19.458 -6.600 -8.437 1.00 0.00 H new ATOM 1877 N GLU A 119 21.556 -3.693 -8.336 1.00 0.00 N ATOM 1878 CA GLU A 119 21.355 -2.526 -9.240 1.00 0.00 C ATOM 1879 C GLU A 119 22.045 -2.795 -10.579 1.00 0.00 C ATOM 1880 O GLU A 119 23.187 -3.207 -10.628 1.00 0.00 O ATOM 1881 CB GLU A 119 21.958 -1.274 -8.598 1.00 0.00 C ATOM 1882 CG GLU A 119 23.485 -1.376 -8.614 1.00 0.00 C ATOM 1883 CD GLU A 119 24.048 -0.800 -7.314 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.367 -0.889 -6.305 1.00 0.00 O ATOM 1885 OE2 GLU A 119 25.152 -0.280 -7.348 1.00 0.00 O ATOM 0 H GLU A 119 22.442 -4.185 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 119 20.289 -2.372 -9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 119 21.637 -0.384 -9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 119 21.601 -1.170 -7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.789 -2.417 -8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.887 -0.833 -9.469 1.00 0.00 H new ATOM 1892 N GLY A 120 21.361 -2.566 -11.666 1.00 0.00 N ATOM 1893 CA GLY A 120 21.979 -2.810 -13.001 1.00 0.00 C ATOM 1894 C GLY A 120 22.214 -1.474 -13.708 1.00 0.00 C ATOM 1895 O GLY A 120 21.409 -1.032 -14.503 1.00 0.00 O ATOM 0 H GLY A 120 20.401 -2.221 -11.688 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.923 -3.343 -12.884 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.328 -3.443 -13.604 1.00 0.00 H new