USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.3! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 0.0749 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -0.0216 (180deg=-0.23) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 49:sc= 0.0349 USER MOD Single : A 43 MET CE :methyl -179:sc= -1.96 (180deg=-2.09) USER MOD Single : A 45 MET CE :methyl 151:sc= -0.195 (180deg=-2.38!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -2.18! K(o=-2.2!,f=-2.7) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -111:sc= -1.8! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0381 USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= 0.444 (180deg=-0.381) USER MOD Single : A 64 LYS NZ :NH3+ -124:sc= 2.31 (180deg=-1.01!) USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 77 THR OG1 : rot -109:sc= 0.826 USER MOD ----------------------------------------------------------------- ATOM 174 N GLY A 16 1.849 8.834 1.515 1.00 0.00 N ATOM 175 CA GLY A 16 1.199 7.987 2.502 1.00 0.00 C ATOM 176 C GLY A 16 2.145 6.887 2.988 1.00 0.00 C ATOM 177 O GLY A 16 3.360 7.074 3.011 1.00 0.00 O ATOM 0 HA2 GLY A 16 0.874 8.592 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.305 7.538 2.069 1.00 0.00 H new ATOM 181 N PRO A 17 1.535 5.735 3.375 1.00 0.00 N ATOM 182 CA PRO A 17 2.309 4.605 3.859 1.00 0.00 C ATOM 183 C PRO A 17 3.011 3.886 2.706 1.00 0.00 C ATOM 184 O PRO A 17 2.565 3.956 1.562 1.00 0.00 O ATOM 185 CB PRO A 17 1.305 3.723 4.585 1.00 0.00 C ATOM 186 CG PRO A 17 -0.064 4.151 4.084 1.00 0.00 C ATOM 187 CD PRO A 17 0.098 5.478 3.361 1.00 0.00 C ATOM 0 HA PRO A 17 3.115 4.904 4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.486 2.669 4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.383 3.850 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.477 3.398 3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.761 4.252 4.916 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.284 5.423 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.451 6.273 3.865 1.00 0.00 H new ATOM 195 N LEU A 18 4.100 3.212 3.046 1.00 0.00 N ATOM 196 CA LEU A 18 4.869 2.481 2.053 1.00 0.00 C ATOM 197 C LEU A 18 4.822 0.987 2.376 1.00 0.00 C ATOM 198 O LEU A 18 5.073 0.585 3.511 1.00 0.00 O ATOM 199 CB LEU A 18 6.288 3.045 1.953 1.00 0.00 C ATOM 200 CG LEU A 18 6.408 4.468 1.404 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.873 4.848 1.181 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.572 4.638 0.134 1.00 0.00 C ATOM 0 H LEU A 18 4.468 3.157 3.996 1.00 0.00 H new ATOM 0 HA LEU A 18 4.430 2.607 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.738 3.021 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.877 2.382 1.320 1.00 0.00 H new ATOM 0 HG LEU A 18 6.007 5.156 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.930 5.864 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.411 4.792 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.323 4.159 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.675 5.658 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.920 3.940 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.524 4.437 0.358 1.00 0.00 H new ATOM 214 N ALA A 19 4.499 0.203 1.358 1.00 0.00 N ATOM 215 CA ALA A 19 4.416 -1.238 1.519 1.00 0.00 C ATOM 216 C ALA A 19 5.717 -1.754 2.136 1.00 0.00 C ATOM 217 O ALA A 19 6.786 -1.194 1.897 1.00 0.00 O ATOM 218 CB ALA A 19 4.114 -1.887 0.167 1.00 0.00 C ATOM 0 H ALA A 19 4.292 0.539 0.418 1.00 0.00 H new ATOM 0 HA ALA A 19 3.603 -1.502 2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.052 -2.968 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.165 -1.509 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.910 -1.646 -0.538 1.00 0.00 H new ATOM 224 N PRO A 20 5.581 -2.844 2.938 1.00 0.00 N ATOM 225 CA PRO A 20 6.734 -3.441 3.591 1.00 0.00 C ATOM 226 C PRO A 20 7.577 -4.238 2.593 1.00 0.00 C ATOM 227 O PRO A 20 8.803 -4.135 2.590 1.00 0.00 O ATOM 228 CB PRO A 20 6.155 -4.303 4.700 1.00 0.00 C ATOM 229 CG PRO A 20 4.695 -4.524 4.338 1.00 0.00 C ATOM 230 CD PRO A 20 4.332 -3.533 3.244 1.00 0.00 C ATOM 0 HA PRO A 20 7.419 -2.697 3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.687 -5.252 4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.247 -3.809 5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.537 -5.546 3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.059 -4.379 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.935 -4.041 2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.567 -2.834 3.581 1.00 0.00 H new ATOM 238 N MET A 21 6.887 -5.014 1.770 1.00 0.00 N ATOM 239 CA MET A 21 7.557 -5.827 0.770 1.00 0.00 C ATOM 240 C MET A 21 6.655 -6.054 -0.445 1.00 0.00 C ATOM 241 O MET A 21 5.446 -5.844 -0.373 1.00 0.00 O ATOM 242 CB MET A 21 7.939 -7.176 1.382 1.00 0.00 C ATOM 243 CG MET A 21 9.006 -7.878 0.540 1.00 0.00 C ATOM 244 SD MET A 21 10.228 -8.627 1.603 1.00 0.00 S ATOM 245 CE MET A 21 11.111 -9.618 0.410 1.00 0.00 C ATOM 0 H MET A 21 5.870 -5.097 1.776 1.00 0.00 H new ATOM 0 HA MET A 21 8.453 -5.301 0.441 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.311 -7.027 2.396 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.055 -7.809 1.456 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.543 -8.639 -0.088 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.484 -7.161 -0.128 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.916 -10.157 0.909 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.426 -10.331 -0.049 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.531 -8.971 -0.360 1.00 0.00 H new ATOM 255 N THR A 22 7.280 -6.481 -1.533 1.00 0.00 N ATOM 256 CA THR A 22 6.549 -6.739 -2.762 1.00 0.00 C ATOM 257 C THR A 22 5.549 -7.879 -2.559 1.00 0.00 C ATOM 258 O THR A 22 5.943 -9.031 -2.383 1.00 0.00 O ATOM 259 CB THR A 22 7.569 -7.016 -3.869 1.00 0.00 C ATOM 260 OG1 THR A 22 8.268 -5.782 -4.013 1.00 0.00 O ATOM 261 CG2 THR A 22 6.909 -7.232 -5.233 1.00 0.00 C ATOM 0 H THR A 22 8.284 -6.655 -1.589 1.00 0.00 H new ATOM 0 HA THR A 22 5.953 -5.875 -3.057 1.00 0.00 H new ATOM 0 HB THR A 22 8.158 -7.895 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.951 -5.872 -4.710 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.677 -7.425 -5.982 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.233 -8.085 -5.179 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.347 -6.340 -5.510 1.00 0.00 H new ATOM 269 N GLY A 23 4.275 -7.518 -2.591 1.00 0.00 N ATOM 270 CA GLY A 23 3.215 -8.496 -2.412 1.00 0.00 C ATOM 271 C GLY A 23 1.999 -8.150 -3.275 1.00 0.00 C ATOM 272 O GLY A 23 2.124 -7.449 -4.278 1.00 0.00 O ATOM 0 H GLY A 23 3.952 -6.562 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.582 -9.488 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.922 -8.533 -1.363 1.00 0.00 H new ATOM 276 N THR A 24 0.851 -8.659 -2.852 1.00 0.00 N ATOM 277 CA THR A 24 -0.386 -8.413 -3.573 1.00 0.00 C ATOM 278 C THR A 24 -1.491 -7.984 -2.606 1.00 0.00 C ATOM 279 O THR A 24 -1.601 -8.522 -1.505 1.00 0.00 O ATOM 280 CB THR A 24 -0.730 -9.675 -4.367 1.00 0.00 C ATOM 281 OG1 THR A 24 0.229 -9.695 -5.421 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.074 -9.565 -5.089 1.00 0.00 C ATOM 0 H THR A 24 0.752 -9.240 -2.020 1.00 0.00 H new ATOM 0 HA THR A 24 -0.275 -7.588 -4.277 1.00 0.00 H new ATOM 0 HB THR A 24 -0.749 -10.532 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.080 -10.483 -5.984 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.269 -10.487 -5.637 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.867 -9.402 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.045 -8.728 -5.786 1.00 0.00 H new ATOM 290 N ILE A 25 -2.282 -7.019 -3.052 1.00 0.00 N ATOM 291 CA ILE A 25 -3.375 -6.512 -2.239 1.00 0.00 C ATOM 292 C ILE A 25 -4.487 -7.561 -2.175 1.00 0.00 C ATOM 293 O ILE A 25 -4.935 -8.059 -3.206 1.00 0.00 O ATOM 294 CB ILE A 25 -3.843 -5.151 -2.760 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.650 -4.261 -3.117 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.783 -4.475 -1.760 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.651 -4.194 -1.961 1.00 0.00 C ATOM 0 H ILE A 25 -2.188 -6.575 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.040 -6.339 -1.216 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.410 -5.313 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.156 -4.649 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.000 -3.257 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.101 -3.510 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.657 -5.106 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.262 -4.327 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.813 -3.555 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.142 -3.783 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.285 -5.196 -1.738 1.00 0.00 H new ATOM 309 N GLU A 26 -4.899 -7.865 -0.953 1.00 0.00 N ATOM 310 CA GLU A 26 -5.950 -8.845 -0.740 1.00 0.00 C ATOM 311 C GLU A 26 -7.246 -8.152 -0.314 1.00 0.00 C ATOM 312 O GLU A 26 -8.315 -8.444 -0.847 1.00 0.00 O ATOM 313 CB GLU A 26 -5.524 -9.892 0.291 1.00 0.00 C ATOM 314 CG GLU A 26 -6.552 -11.021 0.385 1.00 0.00 C ATOM 315 CD GLU A 26 -6.343 -12.046 -0.731 1.00 0.00 C ATOM 316 OE1 GLU A 26 -6.745 -11.733 -1.873 1.00 0.00 O ATOM 317 OE2 GLU A 26 -5.787 -13.121 -0.417 1.00 0.00 O ATOM 0 H GLU A 26 -4.524 -7.450 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.131 -9.363 -1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.552 -10.303 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.407 -9.420 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.471 -11.512 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.559 -10.608 0.320 1.00 0.00 H new ATOM 324 N LYS A 27 -7.107 -7.246 0.643 1.00 0.00 N ATOM 325 CA LYS A 27 -8.252 -6.508 1.147 1.00 0.00 C ATOM 326 C LYS A 27 -7.890 -5.026 1.260 1.00 0.00 C ATOM 327 O LYS A 27 -6.760 -4.684 1.607 1.00 0.00 O ATOM 328 CB LYS A 27 -8.750 -7.120 2.458 1.00 0.00 C ATOM 329 CG LYS A 27 -9.741 -8.255 2.191 1.00 0.00 C ATOM 330 CD LYS A 27 -11.168 -7.717 2.059 1.00 0.00 C ATOM 331 CE LYS A 27 -11.788 -8.131 0.724 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.112 -7.492 0.547 1.00 0.00 N ATOM 0 H LYS A 27 -6.218 -7.007 1.083 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.087 -6.580 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.904 -7.498 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.228 -6.350 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.461 -8.780 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.696 -8.981 3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.779 -8.092 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.160 -6.630 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.127 -7.845 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.893 -9.215 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.813 -8.213 0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.401 -7.040 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.053 -6.773 -0.202 1.00 0.00 H new ATOM 346 N VAL A 28 -8.869 -4.185 0.960 1.00 0.00 N ATOM 347 CA VAL A 28 -8.667 -2.748 1.023 1.00 0.00 C ATOM 348 C VAL A 28 -9.806 -2.112 1.822 1.00 0.00 C ATOM 349 O VAL A 28 -10.910 -1.941 1.308 1.00 0.00 O ATOM 350 CB VAL A 28 -8.536 -2.175 -0.390 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.535 -0.645 -0.363 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.283 -2.712 -1.085 1.00 0.00 C ATOM 0 H VAL A 28 -9.805 -4.472 0.673 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.737 -2.516 1.541 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.403 -2.499 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.441 -0.263 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.468 -0.288 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.696 -0.292 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.214 -2.289 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.400 -2.431 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.342 -3.798 -1.153 1.00 0.00 H new ATOM 362 N PHE A 29 -9.498 -1.778 3.067 1.00 0.00 N ATOM 363 CA PHE A 29 -10.483 -1.164 3.942 1.00 0.00 C ATOM 364 C PHE A 29 -10.307 0.355 3.985 1.00 0.00 C ATOM 365 O PHE A 29 -10.292 0.952 5.061 1.00 0.00 O ATOM 366 CB PHE A 29 -10.251 -1.733 5.344 1.00 0.00 C ATOM 367 CG PHE A 29 -10.200 -3.261 5.395 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.270 -3.991 4.978 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.087 -3.889 5.857 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.223 -5.409 5.026 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.040 -5.308 5.905 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.109 -6.038 5.488 1.00 0.00 C ATOM 0 H PHE A 29 -8.581 -1.921 3.490 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.488 -1.376 3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.315 -1.335 5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.046 -1.384 6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.155 -3.492 4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.238 -3.309 6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.072 -5.989 4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.156 -5.807 6.273 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.073 -7.117 5.524 1.00 0.00 H new ATOM 382 N VAL A 30 -10.178 0.938 2.802 1.00 0.00 N ATOM 383 CA VAL A 30 -10.004 2.376 2.691 1.00 0.00 C ATOM 384 C VAL A 30 -10.653 2.865 1.396 1.00 0.00 C ATOM 385 O VAL A 30 -11.348 2.107 0.720 1.00 0.00 O ATOM 386 CB VAL A 30 -8.519 2.732 2.787 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.904 2.177 4.073 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.756 2.237 1.557 1.00 0.00 C ATOM 0 H VAL A 30 -10.191 0.440 1.912 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.501 2.886 3.516 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.437 3.818 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.848 2.444 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.421 2.599 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.004 1.092 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.703 2.503 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.851 1.154 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.169 2.701 0.661 1.00 0.00 H new ATOM 398 N LYS A 31 -10.405 4.130 1.087 1.00 0.00 N ATOM 399 CA LYS A 31 -10.957 4.730 -0.115 1.00 0.00 C ATOM 400 C LYS A 31 -10.605 6.218 -0.145 1.00 0.00 C ATOM 401 O LYS A 31 -9.884 6.707 0.723 1.00 0.00 O ATOM 402 CB LYS A 31 -12.458 4.450 -0.213 1.00 0.00 C ATOM 403 CG LYS A 31 -13.159 4.751 1.113 1.00 0.00 C ATOM 404 CD LYS A 31 -14.035 6.001 0.999 1.00 0.00 C ATOM 405 CE LYS A 31 -14.922 6.163 2.235 1.00 0.00 C ATOM 406 NZ LYS A 31 -15.985 5.133 2.249 1.00 0.00 N ATOM 0 H LYS A 31 -9.828 4.756 1.649 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.514 4.280 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.894 5.058 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.620 3.407 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.772 3.899 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.416 4.894 1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.404 6.882 0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.657 5.933 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.316 6.081 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.370 7.157 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.735 5.417 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.385 5.034 1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.583 4.223 2.552 1.00 0.00 H new ATOM 420 N ALA A 32 -11.131 6.898 -1.154 1.00 0.00 N ATOM 421 CA ALA A 32 -10.882 8.321 -1.309 1.00 0.00 C ATOM 422 C ALA A 32 -11.903 9.105 -0.483 1.00 0.00 C ATOM 423 O ALA A 32 -13.063 8.707 -0.381 1.00 0.00 O ATOM 424 CB ALA A 32 -10.926 8.689 -2.793 1.00 0.00 C ATOM 0 H ALA A 32 -11.729 6.489 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.890 8.580 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.739 9.757 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.162 8.127 -3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.908 8.446 -3.199 1.00 0.00 H new ATOM 430 N GLY A 33 -11.436 10.207 0.086 1.00 0.00 N ATOM 431 CA GLY A 33 -12.294 11.051 0.899 1.00 0.00 C ATOM 432 C GLY A 33 -12.810 10.291 2.123 1.00 0.00 C ATOM 433 O GLY A 33 -13.910 10.556 2.604 1.00 0.00 O ATOM 0 H GLY A 33 -10.474 10.535 -0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.742 11.934 1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.136 11.401 0.302 1.00 0.00 H new ATOM 437 N ASP A 34 -11.990 9.362 2.591 1.00 0.00 N ATOM 438 CA ASP A 34 -12.350 8.562 3.750 1.00 0.00 C ATOM 439 C ASP A 34 -11.591 9.076 4.975 1.00 0.00 C ATOM 440 O ASP A 34 -10.709 9.925 4.852 1.00 0.00 O ATOM 441 CB ASP A 34 -11.974 7.093 3.543 1.00 0.00 C ATOM 442 CG ASP A 34 -12.453 6.142 4.642 1.00 0.00 C ATOM 443 OD1 ASP A 34 -13.480 6.474 5.271 1.00 0.00 O ATOM 444 OD2 ASP A 34 -11.780 5.105 4.827 1.00 0.00 O ATOM 0 H ASP A 34 -11.078 9.145 2.189 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.428 8.642 3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.385 6.759 2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.889 7.019 3.466 1.00 0.00 H new ATOM 449 N LYS A 35 -11.961 8.540 6.128 1.00 0.00 N ATOM 450 CA LYS A 35 -11.327 8.934 7.375 1.00 0.00 C ATOM 451 C LYS A 35 -10.791 7.689 8.085 1.00 0.00 C ATOM 452 O LYS A 35 -11.451 6.651 8.108 1.00 0.00 O ATOM 453 CB LYS A 35 -12.289 9.763 8.228 1.00 0.00 C ATOM 454 CG LYS A 35 -12.673 11.062 7.516 1.00 0.00 C ATOM 455 CD LYS A 35 -13.939 10.874 6.678 1.00 0.00 C ATOM 456 CE LYS A 35 -14.188 12.089 5.781 1.00 0.00 C ATOM 457 NZ LYS A 35 -14.629 13.248 6.589 1.00 0.00 N ATOM 0 H LYS A 35 -12.692 7.836 6.226 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.473 9.583 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.186 9.181 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.824 9.993 9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.833 11.850 8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.853 11.386 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.844 9.978 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.795 10.721 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.276 12.342 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.946 11.849 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.794 14.064 5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.511 13.009 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.893 13.487 7.284 1.00 0.00 H new ATOM 471 N VAL A 36 -9.600 7.834 8.647 1.00 0.00 N ATOM 472 CA VAL A 36 -8.969 6.735 9.357 1.00 0.00 C ATOM 473 C VAL A 36 -8.363 7.256 10.662 1.00 0.00 C ATOM 474 O VAL A 36 -8.326 8.463 10.894 1.00 0.00 O ATOM 475 CB VAL A 36 -7.942 6.050 8.453 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.632 5.245 7.350 1.00 0.00 C ATOM 477 CG2 VAL A 36 -6.968 7.070 7.859 1.00 0.00 C ATOM 0 H VAL A 36 -9.055 8.696 8.625 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.707 5.978 9.621 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.368 5.355 9.066 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.879 4.769 6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.266 4.481 7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.243 5.911 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.249 6.557 7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.521 7.800 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.439 7.580 8.664 1.00 0.00 H new ATOM 487 N LYS A 37 -7.904 6.320 11.479 1.00 0.00 N ATOM 488 CA LYS A 37 -7.302 6.669 12.754 1.00 0.00 C ATOM 489 C LYS A 37 -5.961 5.948 12.895 1.00 0.00 C ATOM 490 O LYS A 37 -5.858 4.757 12.603 1.00 0.00 O ATOM 491 CB LYS A 37 -8.275 6.388 13.901 1.00 0.00 C ATOM 492 CG LYS A 37 -9.357 7.468 13.980 1.00 0.00 C ATOM 493 CD LYS A 37 -9.346 8.155 15.347 1.00 0.00 C ATOM 494 CE LYS A 37 -10.675 7.950 16.075 1.00 0.00 C ATOM 495 NZ LYS A 37 -11.438 9.217 16.129 1.00 0.00 N ATOM 0 H LYS A 37 -7.937 5.320 11.283 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.095 7.738 12.797 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.740 5.413 13.758 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.729 6.346 14.843 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.196 8.208 13.196 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.335 7.022 13.801 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.531 7.757 15.951 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.157 9.221 15.221 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.262 7.187 15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.490 7.587 17.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.338 9.060 16.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.883 9.935 16.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.631 9.548 15.162 1.00 0.00 H new ATOM 509 N ALA A 38 -4.965 6.699 13.343 1.00 0.00 N ATOM 510 CA ALA A 38 -3.634 6.145 13.526 1.00 0.00 C ATOM 511 C ALA A 38 -3.748 4.737 14.115 1.00 0.00 C ATOM 512 O ALA A 38 -4.273 4.561 15.213 1.00 0.00 O ATOM 513 CB ALA A 38 -2.809 7.082 14.411 1.00 0.00 C ATOM 0 H ALA A 38 -5.053 7.686 13.585 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.118 6.061 12.569 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.811 6.667 14.549 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.733 8.059 13.935 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.295 7.188 15.381 1.00 0.00 H new ATOM 519 N GLY A 39 -3.248 3.772 13.358 1.00 0.00 N ATOM 520 CA GLY A 39 -3.287 2.385 13.790 1.00 0.00 C ATOM 521 C GLY A 39 -4.554 1.690 13.287 1.00 0.00 C ATOM 522 O GLY A 39 -5.123 0.850 13.983 1.00 0.00 O ATOM 0 H GLY A 39 -2.813 3.923 12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.407 1.860 13.418 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.250 2.338 14.878 1.00 0.00 H new ATOM 526 N ASP A 40 -4.958 2.065 12.083 1.00 0.00 N ATOM 527 CA ASP A 40 -6.147 1.488 11.479 1.00 0.00 C ATOM 528 C ASP A 40 -5.732 0.548 10.346 1.00 0.00 C ATOM 529 O ASP A 40 -4.697 0.751 9.713 1.00 0.00 O ATOM 530 CB ASP A 40 -7.047 2.574 10.887 1.00 0.00 C ATOM 531 CG ASP A 40 -8.176 3.050 11.803 1.00 0.00 C ATOM 532 OD1 ASP A 40 -8.006 2.908 13.033 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.183 3.545 11.253 1.00 0.00 O ATOM 0 H ASP A 40 -4.483 2.762 11.509 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.693 0.951 12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.429 3.432 10.622 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.484 2.198 9.962 1.00 0.00 H new ATOM 538 N SER A 41 -6.562 -0.461 10.123 1.00 0.00 N ATOM 539 CA SER A 41 -6.295 -1.434 9.077 1.00 0.00 C ATOM 540 C SER A 41 -6.703 -0.864 7.717 1.00 0.00 C ATOM 541 O SER A 41 -7.873 -0.922 7.342 1.00 0.00 O ATOM 542 CB SER A 41 -7.031 -2.748 9.345 1.00 0.00 C ATOM 543 OG SER A 41 -8.342 -2.530 9.860 1.00 0.00 O ATOM 0 H SER A 41 -7.420 -0.626 10.649 1.00 0.00 H new ATOM 0 HA SER A 41 -5.225 -1.644 9.070 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.095 -3.323 8.421 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.458 -3.347 10.053 1.00 0.00 H new ATOM 0 HG SER A 41 -8.808 -1.873 9.302 1.00 0.00 H new ATOM 549 N LEU A 42 -5.715 -0.328 7.015 1.00 0.00 N ATOM 550 CA LEU A 42 -5.957 0.251 5.705 1.00 0.00 C ATOM 551 C LEU A 42 -6.268 -0.867 4.707 1.00 0.00 C ATOM 552 O LEU A 42 -7.400 -0.992 4.243 1.00 0.00 O ATOM 553 CB LEU A 42 -4.784 1.139 5.287 1.00 0.00 C ATOM 554 CG LEU A 42 -4.381 2.231 6.281 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.067 2.894 5.865 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.506 3.252 6.459 1.00 0.00 C ATOM 0 H LEU A 42 -4.746 -0.283 7.329 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.828 0.905 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.918 0.502 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.034 1.614 4.338 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.213 1.764 7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.804 3.666 6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.276 2.145 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.183 3.345 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.194 4.017 7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.729 3.718 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.397 2.749 6.835 1.00 0.00 H new ATOM 568 N MET A 43 -5.242 -1.651 4.408 1.00 0.00 N ATOM 569 CA MET A 43 -5.392 -2.754 3.474 1.00 0.00 C ATOM 570 C MET A 43 -4.619 -3.985 3.952 1.00 0.00 C ATOM 571 O MET A 43 -3.922 -3.931 4.964 1.00 0.00 O ATOM 572 CB MET A 43 -4.878 -2.331 2.097 1.00 0.00 C ATOM 573 CG MET A 43 -5.655 -1.123 1.569 1.00 0.00 C ATOM 574 SD MET A 43 -4.584 0.303 1.486 1.00 0.00 S ATOM 575 CE MET A 43 -4.182 0.288 -0.253 1.00 0.00 C ATOM 0 H MET A 43 -4.305 -1.544 4.796 1.00 0.00 H new ATOM 0 HA MET A 43 -6.449 -3.013 3.413 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.818 -2.087 2.160 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.973 -3.162 1.398 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.058 -1.343 0.581 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.504 -0.913 2.220 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.501 1.109 -0.476 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.705 -0.658 -0.508 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.094 0.404 -0.838 1.00 0.00 H new ATOM 585 N VAL A 44 -4.767 -5.066 3.200 1.00 0.00 N ATOM 586 CA VAL A 44 -4.091 -6.308 3.533 1.00 0.00 C ATOM 587 C VAL A 44 -3.327 -6.813 2.308 1.00 0.00 C ATOM 588 O VAL A 44 -3.918 -7.036 1.252 1.00 0.00 O ATOM 589 CB VAL A 44 -5.101 -7.325 4.069 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.451 -8.699 4.249 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.727 -6.839 5.378 1.00 0.00 C ATOM 0 H VAL A 44 -5.345 -5.107 2.361 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.361 -6.145 4.326 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.899 -7.425 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.190 -9.404 4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.075 -9.052 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.625 -8.621 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.441 -7.580 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.945 -6.697 6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.241 -5.893 5.206 1.00 0.00 H new ATOM 601 N MET A 45 -2.025 -6.978 2.489 1.00 0.00 N ATOM 602 CA MET A 45 -1.174 -7.453 1.411 1.00 0.00 C ATOM 603 C MET A 45 -0.845 -8.937 1.584 1.00 0.00 C ATOM 604 O MET A 45 -1.094 -9.512 2.643 1.00 0.00 O ATOM 605 CB MET A 45 0.123 -6.642 1.389 1.00 0.00 C ATOM 606 CG MET A 45 -0.072 -5.315 0.652 1.00 0.00 C ATOM 607 SD MET A 45 1.442 -4.370 0.685 1.00 0.00 S ATOM 608 CE MET A 45 2.368 -5.224 -0.580 1.00 0.00 C ATOM 0 H MET A 45 -1.539 -6.791 3.366 1.00 0.00 H new ATOM 0 HA MET A 45 -1.709 -7.326 0.470 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.453 -6.450 2.410 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.909 -7.220 0.903 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.371 -5.503 -0.379 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.876 -4.745 1.118 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.063 -4.530 -1.053 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.925 -6.046 -0.131 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.682 -5.618 -1.330 1.00 0.00 H new ATOM 618 N ILE A 46 -0.291 -9.515 0.529 1.00 0.00 N ATOM 619 CA ILE A 46 0.074 -10.921 0.551 1.00 0.00 C ATOM 620 C ILE A 46 1.537 -11.070 0.128 1.00 0.00 C ATOM 621 O ILE A 46 1.849 -11.047 -1.061 1.00 0.00 O ATOM 622 CB ILE A 46 -0.898 -11.741 -0.299 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.349 -11.424 0.068 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.594 -13.237 -0.192 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.616 -11.713 1.547 1.00 0.00 C ATOM 0 H ILE A 46 -0.086 -9.035 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.009 -11.320 1.562 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.760 -11.458 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.561 -10.376 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.022 -12.018 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.300 -13.797 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.421 -13.428 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.686 -13.554 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.654 -11.479 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.426 -12.767 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.958 -11.099 2.162 1.00 0.00 H new ATOM 637 N ALA A 47 2.396 -11.220 1.126 1.00 0.00 N ATOM 638 CA ALA A 47 3.819 -11.373 0.873 1.00 0.00 C ATOM 639 C ALA A 47 4.346 -12.574 1.660 1.00 0.00 C ATOM 640 O ALA A 47 3.700 -13.039 2.597 1.00 0.00 O ATOM 641 CB ALA A 47 4.544 -10.075 1.233 1.00 0.00 C ATOM 0 H ALA A 47 2.134 -11.239 2.112 1.00 0.00 H new ATOM 0 HA ALA A 47 4.003 -11.566 -0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.611 -10.190 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.153 -9.259 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.385 -9.850 2.288 1.00 0.00 H new ATOM 647 N MET A 48 5.516 -13.042 1.250 1.00 0.00 N ATOM 648 CA MET A 48 6.138 -14.179 1.906 1.00 0.00 C ATOM 649 C MET A 48 5.152 -15.342 2.039 1.00 0.00 C ATOM 650 O MET A 48 5.276 -16.164 2.946 1.00 0.00 O ATOM 651 CB MET A 48 6.629 -13.764 3.294 1.00 0.00 C ATOM 652 CG MET A 48 7.995 -13.081 3.211 1.00 0.00 C ATOM 653 SD MET A 48 9.017 -13.590 4.583 1.00 0.00 S ATOM 654 CE MET A 48 10.252 -12.302 4.545 1.00 0.00 C ATOM 0 H MET A 48 6.049 -12.654 0.472 1.00 0.00 H new ATOM 0 HA MET A 48 6.980 -14.509 1.298 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.907 -13.087 3.752 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.696 -14.641 3.937 1.00 0.00 H new ATOM 0 HG2 MET A 48 8.482 -13.337 2.270 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.871 -11.998 3.222 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.976 -12.468 5.343 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.764 -12.317 3.583 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.772 -11.334 4.686 1.00 0.00 H new ATOM 664 N LYS A 49 4.196 -15.372 1.123 1.00 0.00 N ATOM 665 CA LYS A 49 3.189 -16.420 1.127 1.00 0.00 C ATOM 666 C LYS A 49 2.297 -16.259 2.360 1.00 0.00 C ATOM 667 O LYS A 49 1.693 -17.226 2.824 1.00 0.00 O ATOM 668 CB LYS A 49 3.848 -17.797 1.021 1.00 0.00 C ATOM 669 CG LYS A 49 4.118 -18.164 -0.440 1.00 0.00 C ATOM 670 CD LYS A 49 5.543 -18.691 -0.618 1.00 0.00 C ATOM 671 CE LYS A 49 5.545 -20.025 -1.369 1.00 0.00 C ATOM 672 NZ LYS A 49 6.897 -20.625 -1.355 1.00 0.00 N ATOM 0 H LYS A 49 4.097 -14.688 0.373 1.00 0.00 H new ATOM 0 HA LYS A 49 2.545 -16.332 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.784 -17.800 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.203 -18.549 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.403 -18.919 -0.767 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.968 -17.289 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.139 -17.961 -1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.012 -18.818 0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.832 -20.709 -0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.220 -19.870 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.881 -21.529 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.569 -19.978 -1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.193 -20.791 -0.372 1.00 0.00 H new ATOM 686 N MET A 50 2.241 -15.032 2.854 1.00 0.00 N ATOM 687 CA MET A 50 1.433 -14.732 4.024 1.00 0.00 C ATOM 688 C MET A 50 0.785 -13.351 3.904 1.00 0.00 C ATOM 689 O MET A 50 1.335 -12.457 3.261 1.00 0.00 O ATOM 690 CB MET A 50 2.310 -14.777 5.277 1.00 0.00 C ATOM 691 CG MET A 50 1.702 -13.938 6.402 1.00 0.00 C ATOM 692 SD MET A 50 2.644 -14.156 7.903 1.00 0.00 S ATOM 693 CE MET A 50 1.336 -14.030 9.111 1.00 0.00 C ATOM 0 H MET A 50 2.742 -14.233 2.466 1.00 0.00 H new ATOM 0 HA MET A 50 0.642 -15.479 4.096 1.00 0.00 H new ATOM 0 HB2 MET A 50 2.424 -15.809 5.609 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.307 -14.407 5.041 1.00 0.00 H new ATOM 0 HG2 MET A 50 1.693 -12.886 6.118 1.00 0.00 H new ATOM 0 HG3 MET A 50 0.666 -14.232 6.567 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.753 -14.144 10.112 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.856 -13.055 9.027 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.599 -14.814 8.933 1.00 0.00 H new ATOM 703 N GLU A 51 -0.374 -13.219 4.531 1.00 0.00 N ATOM 704 CA GLU A 51 -1.102 -11.962 4.503 1.00 0.00 C ATOM 705 C GLU A 51 -0.712 -11.095 5.701 1.00 0.00 C ATOM 706 O GLU A 51 -0.408 -11.614 6.775 1.00 0.00 O ATOM 707 CB GLU A 51 -2.613 -12.204 4.470 1.00 0.00 C ATOM 708 CG GLU A 51 -3.183 -12.305 5.886 1.00 0.00 C ATOM 709 CD GLU A 51 -4.281 -13.368 5.961 1.00 0.00 C ATOM 710 OE1 GLU A 51 -5.183 -13.312 5.097 1.00 0.00 O ATOM 711 OE2 GLU A 51 -4.194 -14.211 6.879 1.00 0.00 O ATOM 0 H GLU A 51 -0.828 -13.962 5.062 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.832 -11.429 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.103 -11.392 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.826 -13.122 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.385 -12.551 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.586 -11.339 6.189 1.00 0.00 H new ATOM 718 N HIS A 52 -0.733 -9.789 5.478 1.00 0.00 N ATOM 719 CA HIS A 52 -0.385 -8.845 6.527 1.00 0.00 C ATOM 720 C HIS A 52 -1.416 -7.716 6.564 1.00 0.00 C ATOM 721 O HIS A 52 -2.132 -7.492 5.589 1.00 0.00 O ATOM 722 CB HIS A 52 1.046 -8.335 6.345 1.00 0.00 C ATOM 723 CG HIS A 52 1.995 -9.359 5.768 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.526 -10.395 6.517 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.500 -9.495 4.509 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.315 -11.115 5.733 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.298 -10.556 4.489 1.00 0.00 N ATOM 0 H HIS A 52 -0.985 -9.362 4.587 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.411 -9.345 7.495 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.029 -7.462 5.693 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.428 -8.004 7.311 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.341 -10.574 7.504 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.287 -8.849 3.670 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.874 -11.991 6.027 1.00 0.00 H new ATOM 735 N THR A 53 -1.460 -7.035 7.699 1.00 0.00 N ATOM 736 CA THR A 53 -2.392 -5.934 7.876 1.00 0.00 C ATOM 737 C THR A 53 -1.638 -4.606 7.969 1.00 0.00 C ATOM 738 O THR A 53 -1.053 -4.292 9.004 1.00 0.00 O ATOM 739 CB THR A 53 -3.249 -6.234 9.108 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.936 -7.435 8.769 1.00 0.00 O ATOM 741 CG2 THR A 53 -4.367 -5.208 9.307 1.00 0.00 C ATOM 0 H THR A 53 -0.865 -7.224 8.506 1.00 0.00 H new ATOM 0 HA THR A 53 -3.055 -5.835 7.017 1.00 0.00 H new ATOM 0 HB THR A 53 -2.615 -6.257 9.994 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.514 -7.703 9.514 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.945 -5.467 10.194 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.933 -4.216 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.021 -5.209 8.435 1.00 0.00 H new ATOM 749 N ILE A 54 -1.676 -3.863 6.873 1.00 0.00 N ATOM 750 CA ILE A 54 -1.003 -2.576 6.818 1.00 0.00 C ATOM 751 C ILE A 54 -1.768 -1.568 7.678 1.00 0.00 C ATOM 752 O ILE A 54 -2.834 -1.095 7.286 1.00 0.00 O ATOM 753 CB ILE A 54 -0.818 -2.130 5.366 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.394 -2.815 4.732 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.731 -0.606 5.268 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.026 -4.205 4.207 1.00 0.00 C ATOM 0 H ILE A 54 -2.162 -4.127 6.016 1.00 0.00 H new ATOM 0 HA ILE A 54 0.001 -2.653 7.234 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.696 -2.440 4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.776 -2.203 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.194 -2.900 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.600 -0.315 4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.649 -0.164 5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.118 -0.252 5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.905 -4.670 3.761 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.333 -4.822 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.757 -4.114 3.454 1.00 0.00 H new ATOM 768 N LYS A 55 -1.195 -1.269 8.834 1.00 0.00 N ATOM 769 CA LYS A 55 -1.809 -0.326 9.753 1.00 0.00 C ATOM 770 C LYS A 55 -1.531 1.101 9.274 1.00 0.00 C ATOM 771 O LYS A 55 -0.492 1.366 8.673 1.00 0.00 O ATOM 772 CB LYS A 55 -1.347 -0.595 11.186 1.00 0.00 C ATOM 773 CG LYS A 55 -1.991 -1.867 11.740 1.00 0.00 C ATOM 774 CD LYS A 55 -3.230 -1.536 12.574 1.00 0.00 C ATOM 775 CE LYS A 55 -4.324 -2.586 12.371 1.00 0.00 C ATOM 776 NZ LYS A 55 -4.570 -3.328 13.627 1.00 0.00 N ATOM 0 H LYS A 55 -0.311 -1.664 9.156 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.891 -0.454 9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.262 -0.693 11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.605 0.253 11.820 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.268 -2.527 10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.269 -2.407 12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.960 -1.486 13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.608 -0.553 12.295 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.244 -2.102 12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.029 -3.280 11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.315 -4.037 13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.695 -3.805 13.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.873 -2.665 14.369 1.00 0.00 H new ATOM 790 N SER A 56 -2.479 1.982 9.560 1.00 0.00 N ATOM 791 CA SER A 56 -2.349 3.374 9.166 1.00 0.00 C ATOM 792 C SER A 56 -1.144 4.006 9.866 1.00 0.00 C ATOM 793 O SER A 56 -0.874 3.713 11.030 1.00 0.00 O ATOM 794 CB SER A 56 -3.622 4.159 9.490 1.00 0.00 C ATOM 795 OG SER A 56 -3.922 5.127 8.487 1.00 0.00 O ATOM 0 H SER A 56 -3.340 1.758 10.060 1.00 0.00 H new ATOM 0 HA SER A 56 -2.195 3.411 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.459 3.468 9.589 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.505 4.658 10.452 1.00 0.00 H new ATOM 0 HG SER A 56 -3.785 6.027 8.850 1.00 0.00 H new ATOM 801 N PRO A 57 -0.433 4.882 9.107 1.00 0.00 N ATOM 802 CA PRO A 57 0.737 5.557 9.642 1.00 0.00 C ATOM 803 C PRO A 57 0.333 6.670 10.611 1.00 0.00 C ATOM 804 O PRO A 57 1.051 6.956 11.569 1.00 0.00 O ATOM 805 CB PRO A 57 1.485 6.074 8.423 1.00 0.00 C ATOM 806 CG PRO A 57 0.477 6.076 7.286 1.00 0.00 C ATOM 807 CD PRO A 57 -0.723 5.253 7.725 1.00 0.00 C ATOM 0 HA PRO A 57 1.371 4.895 10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.876 7.076 8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.337 5.436 8.188 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.174 7.095 7.047 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.919 5.655 6.383 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.645 5.830 7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.850 4.371 7.097 1.00 0.00 H new ATOM 815 N LYS A 58 -0.815 7.269 10.329 1.00 0.00 N ATOM 816 CA LYS A 58 -1.323 8.344 11.164 1.00 0.00 C ATOM 817 C LYS A 58 -2.790 8.605 10.815 1.00 0.00 C ATOM 818 O LYS A 58 -3.370 7.900 9.990 1.00 0.00 O ATOM 819 CB LYS A 58 -0.433 9.583 11.043 1.00 0.00 C ATOM 820 CG LYS A 58 -0.606 10.252 9.678 1.00 0.00 C ATOM 821 CD LYS A 58 0.734 10.760 9.142 1.00 0.00 C ATOM 822 CE LYS A 58 1.117 10.036 7.850 1.00 0.00 C ATOM 823 NZ LYS A 58 2.420 10.526 7.349 1.00 0.00 N ATOM 0 H LYS A 58 -1.408 7.030 9.534 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.290 8.058 12.215 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.681 10.292 11.833 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.610 9.301 11.184 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.038 9.542 8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.306 11.083 9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.673 11.833 8.958 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.511 10.609 9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.170 8.962 8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.347 10.195 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.665 10.024 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.357 11.546 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.155 10.352 8.064 1.00 0.00 H new ATOM 837 N ASP A 59 -3.347 9.619 11.460 1.00 0.00 N ATOM 838 CA ASP A 59 -4.735 9.982 11.228 1.00 0.00 C ATOM 839 C ASP A 59 -4.809 10.993 10.082 1.00 0.00 C ATOM 840 O ASP A 59 -3.833 11.686 9.797 1.00 0.00 O ATOM 841 CB ASP A 59 -5.349 10.630 12.470 1.00 0.00 C ATOM 842 CG ASP A 59 -6.650 11.396 12.223 1.00 0.00 C ATOM 843 OD1 ASP A 59 -6.550 12.540 11.729 1.00 0.00 O ATOM 844 OD2 ASP A 59 -7.716 10.821 12.534 1.00 0.00 O ATOM 0 H ASP A 59 -2.862 10.201 12.143 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.285 9.073 10.986 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.537 9.853 13.211 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.619 11.314 12.903 1.00 0.00 H new ATOM 849 N GLY A 60 -5.975 11.044 9.455 1.00 0.00 N ATOM 850 CA GLY A 60 -6.189 11.959 8.346 1.00 0.00 C ATOM 851 C GLY A 60 -7.259 11.423 7.393 1.00 0.00 C ATOM 852 O GLY A 60 -8.038 10.544 7.759 1.00 0.00 O ATOM 0 H GLY A 60 -6.781 10.467 9.694 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.492 12.934 8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.254 12.105 7.804 1.00 0.00 H new ATOM 856 N THR A 61 -7.263 11.976 6.189 1.00 0.00 N ATOM 857 CA THR A 61 -8.225 11.565 5.180 1.00 0.00 C ATOM 858 C THR A 61 -7.503 11.038 3.939 1.00 0.00 C ATOM 859 O THR A 61 -6.557 11.658 3.456 1.00 0.00 O ATOM 860 CB THR A 61 -9.143 12.755 4.890 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.983 12.834 6.039 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.112 12.479 3.739 1.00 0.00 C ATOM 0 H THR A 61 -6.616 12.705 5.889 1.00 0.00 H new ATOM 0 HA THR A 61 -8.842 10.739 5.534 1.00 0.00 H new ATOM 0 HB THR A 61 -8.538 13.631 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.609 13.581 5.936 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.740 13.354 3.574 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.547 12.262 2.832 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.740 11.624 3.989 1.00 0.00 H new ATOM 870 N VAL A 62 -7.978 9.898 3.457 1.00 0.00 N ATOM 871 CA VAL A 62 -7.390 9.280 2.281 1.00 0.00 C ATOM 872 C VAL A 62 -7.860 10.024 1.030 1.00 0.00 C ATOM 873 O VAL A 62 -8.993 9.843 0.585 1.00 0.00 O ATOM 874 CB VAL A 62 -7.725 7.788 2.251 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.333 7.164 0.910 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.058 7.052 3.415 1.00 0.00 C ATOM 0 H VAL A 62 -8.763 9.387 3.860 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.303 9.354 2.314 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.804 7.685 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.582 6.103 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.876 7.660 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.261 7.284 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.313 5.993 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.976 7.168 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.409 7.470 4.359 1.00 0.00 H new ATOM 886 N LYS A 63 -6.968 10.846 0.498 1.00 0.00 N ATOM 887 CA LYS A 63 -7.277 11.618 -0.693 1.00 0.00 C ATOM 888 C LYS A 63 -7.587 10.664 -1.848 1.00 0.00 C ATOM 889 O LYS A 63 -8.640 10.764 -2.476 1.00 0.00 O ATOM 890 CB LYS A 63 -6.151 12.608 -0.998 1.00 0.00 C ATOM 891 CG LYS A 63 -6.435 13.381 -2.288 1.00 0.00 C ATOM 892 CD LYS A 63 -5.351 14.428 -2.549 1.00 0.00 C ATOM 893 CE LYS A 63 -5.405 14.925 -3.995 1.00 0.00 C ATOM 894 NZ LYS A 63 -4.488 14.137 -4.848 1.00 0.00 N ATOM 0 H LYS A 63 -6.030 10.994 0.870 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.168 12.225 -0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.041 13.306 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.206 12.072 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.486 12.688 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.407 13.869 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.480 15.268 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.370 14.000 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.423 14.846 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.132 15.979 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.843 14.780 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.935 13.486 -4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.040 13.590 -5.539 1.00 0.00 H new ATOM 908 N LYS A 64 -6.651 9.759 -2.093 1.00 0.00 N ATOM 909 CA LYS A 64 -6.811 8.787 -3.162 1.00 0.00 C ATOM 910 C LYS A 64 -6.016 7.525 -2.821 1.00 0.00 C ATOM 911 O LYS A 64 -5.349 7.467 -1.789 1.00 0.00 O ATOM 912 CB LYS A 64 -6.434 9.406 -4.510 1.00 0.00 C ATOM 913 CG LYS A 64 -5.205 10.307 -4.375 1.00 0.00 C ATOM 914 CD LYS A 64 -4.111 9.892 -5.361 1.00 0.00 C ATOM 915 CE LYS A 64 -3.662 8.452 -5.108 1.00 0.00 C ATOM 916 NZ LYS A 64 -3.271 7.800 -6.378 1.00 0.00 N ATOM 0 H LYS A 64 -5.779 9.678 -1.570 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.856 8.491 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.232 8.616 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.273 9.985 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.488 11.344 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.821 10.254 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.481 9.987 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.258 10.564 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.821 8.444 -4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.469 7.891 -4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.826 6.930 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.453 8.447 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.259 7.564 -6.350 1.00 0.00 H new ATOM 930 N VAL A 65 -6.112 6.546 -3.708 1.00 0.00 N ATOM 931 CA VAL A 65 -5.410 5.289 -3.514 1.00 0.00 C ATOM 932 C VAL A 65 -4.503 5.025 -4.718 1.00 0.00 C ATOM 933 O VAL A 65 -4.569 5.739 -5.717 1.00 0.00 O ATOM 934 CB VAL A 65 -6.414 4.162 -3.264 1.00 0.00 C ATOM 935 CG1 VAL A 65 -5.706 2.892 -2.788 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.490 4.597 -2.267 1.00 0.00 C ATOM 0 H VAL A 65 -6.665 6.598 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.772 5.340 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.906 3.936 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.443 2.107 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.996 2.565 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.174 3.098 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.191 3.777 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.022 4.864 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.025 5.460 -2.663 1.00 0.00 H new ATOM 946 N PHE A 66 -3.677 3.998 -4.582 1.00 0.00 N ATOM 947 CA PHE A 66 -2.757 3.632 -5.645 1.00 0.00 C ATOM 948 C PHE A 66 -2.970 2.180 -6.078 1.00 0.00 C ATOM 949 O PHE A 66 -2.894 1.864 -7.264 1.00 0.00 O ATOM 950 CB PHE A 66 -1.342 3.782 -5.085 1.00 0.00 C ATOM 951 CG PHE A 66 -0.932 5.230 -4.809 1.00 0.00 C ATOM 952 CD1 PHE A 66 -0.590 6.049 -5.840 1.00 0.00 C ATOM 953 CD2 PHE A 66 -0.910 5.699 -3.532 1.00 0.00 C ATOM 954 CE1 PHE A 66 -0.210 7.393 -5.583 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.530 7.043 -3.276 1.00 0.00 C ATOM 956 CZ PHE A 66 -0.188 7.861 -4.307 1.00 0.00 C ATOM 0 H PHE A 66 -3.626 3.408 -3.752 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.920 4.270 -6.513 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.266 3.211 -4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.635 3.343 -5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.607 5.677 -6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.182 5.049 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.062 8.043 -6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.513 7.416 -2.262 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.101 8.883 -4.112 1.00 0.00 H new ATOM 966 N TYR A 67 -3.233 1.335 -5.092 1.00 0.00 N ATOM 967 CA TYR A 67 -3.458 -0.076 -5.356 1.00 0.00 C ATOM 968 C TYR A 67 -4.782 -0.544 -4.747 1.00 0.00 C ATOM 969 O TYR A 67 -5.121 -0.167 -3.627 1.00 0.00 O ATOM 970 CB TYR A 67 -2.307 -0.821 -4.677 1.00 0.00 C ATOM 971 CG TYR A 67 -0.934 -0.534 -5.288 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.686 -0.852 -6.607 1.00 0.00 C ATOM 973 CD2 TYR A 67 0.057 0.043 -4.519 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.607 -0.582 -7.182 1.00 0.00 C ATOM 975 CE2 TYR A 67 1.349 0.313 -5.094 1.00 0.00 C ATOM 976 CZ TYR A 67 1.560 -0.013 -6.398 1.00 0.00 C ATOM 977 OH TYR A 67 2.781 0.242 -6.941 1.00 0.00 O ATOM 0 H TYR A 67 -3.295 1.600 -4.109 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.502 -0.263 -6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.287 -0.552 -3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.500 -1.892 -4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.461 -1.303 -7.209 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.137 0.292 -3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.814 -0.826 -8.213 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.133 0.764 -4.504 1.00 0.00 H new ATOM 0 HH TYR A 67 3.276 0.855 -6.359 1.00 0.00 H new ATOM 987 N ARG A 68 -5.493 -1.358 -5.513 1.00 0.00 N ATOM 988 CA ARG A 68 -6.772 -1.882 -5.063 1.00 0.00 C ATOM 989 C ARG A 68 -6.683 -3.395 -4.857 1.00 0.00 C ATOM 990 O ARG A 68 -5.603 -3.976 -4.952 1.00 0.00 O ATOM 991 CB ARG A 68 -7.878 -1.576 -6.075 1.00 0.00 C ATOM 992 CG ARG A 68 -8.059 -0.067 -6.250 1.00 0.00 C ATOM 993 CD ARG A 68 -9.542 0.302 -6.331 1.00 0.00 C ATOM 994 NE ARG A 68 -9.716 1.752 -6.089 1.00 0.00 N ATOM 995 CZ ARG A 68 -9.600 2.332 -4.886 1.00 0.00 C ATOM 996 NH1 ARG A 68 -9.308 1.589 -3.810 1.00 0.00 N ATOM 997 NH2 ARG A 68 -9.775 3.654 -4.760 1.00 0.00 N ATOM 0 H ARG A 68 -5.208 -1.668 -6.442 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.015 -1.397 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.633 -2.030 -7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.815 -2.022 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.595 0.458 -5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.549 0.261 -7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.938 0.038 -7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.108 -0.269 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.938 2.347 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.174 0.582 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.220 2.030 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.997 4.220 -5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.687 4.095 -3.845 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.833 -3.990 -4.578 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.899 -5.425 -4.357 1.00 0.00 C ATOM 1013 C GLU A 69 -7.185 -6.169 -5.487 1.00 0.00 C ATOM 1014 O GLU A 69 -7.160 -5.702 -6.625 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.350 -5.893 -4.223 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.828 -5.788 -2.773 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.309 -6.153 -2.657 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.748 -7.006 -3.458 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.969 -5.570 -1.769 1.00 0.00 O ATOM 0 H GLU A 69 -8.727 -3.505 -4.500 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.391 -5.653 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.991 -5.290 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.436 -6.925 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.236 -6.451 -2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.670 -4.774 -2.407 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.622 -7.316 -5.135 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.910 -8.129 -6.105 1.00 0.00 C ATOM 1028 C GLY A 70 -4.989 -7.268 -6.972 1.00 0.00 C ATOM 1029 O GLY A 70 -5.010 -7.370 -8.197 1.00 0.00 O ATOM 0 H GLY A 70 -6.645 -7.701 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.323 -8.888 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.624 -8.655 -6.738 1.00 0.00 H new ATOM 1033 N ALA A 71 -4.202 -6.440 -6.301 1.00 0.00 N ATOM 1034 CA ALA A 71 -3.275 -5.562 -6.994 1.00 0.00 C ATOM 1035 C ALA A 71 -1.841 -6.019 -6.716 1.00 0.00 C ATOM 1036 O ALA A 71 -1.597 -6.770 -5.773 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.520 -4.115 -6.560 1.00 0.00 C ATOM 0 H ALA A 71 -4.187 -6.359 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.434 -5.611 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.824 -3.456 -7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.543 -3.830 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.368 -4.027 -5.484 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.930 -5.546 -7.554 1.00 0.00 N ATOM 1044 CA GLN A 72 0.472 -5.897 -7.410 1.00 0.00 C ATOM 1045 C GLN A 72 1.277 -4.683 -6.942 1.00 0.00 C ATOM 1046 O GLN A 72 1.376 -3.686 -7.655 1.00 0.00 O ATOM 1047 CB GLN A 72 1.035 -6.456 -8.719 1.00 0.00 C ATOM 1048 CG GLN A 72 2.564 -6.422 -8.717 1.00 0.00 C ATOM 1049 CD GLN A 72 3.142 -7.727 -9.269 1.00 0.00 C ATOM 1050 OE1 GLN A 72 2.917 -8.103 -10.407 1.00 0.00 O ATOM 1051 NE2 GLN A 72 3.898 -8.393 -8.401 1.00 0.00 N ATOM 0 H GLN A 72 -1.136 -4.923 -8.335 1.00 0.00 H new ATOM 0 HA GLN A 72 0.555 -6.678 -6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.691 -7.481 -8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.656 -5.875 -9.560 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.913 -5.582 -9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.926 -6.260 -7.702 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.046 -8.021 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.330 -9.276 -8.674 1.00 0.00 H new ATOM 1060 N ALA A 73 1.832 -4.807 -5.745 1.00 0.00 N ATOM 1061 CA ALA A 73 2.626 -3.733 -5.172 1.00 0.00 C ATOM 1062 C ALA A 73 4.094 -4.160 -5.123 1.00 0.00 C ATOM 1063 O ALA A 73 4.405 -5.343 -5.251 1.00 0.00 O ATOM 1064 CB ALA A 73 2.077 -3.373 -3.790 1.00 0.00 C ATOM 0 H ALA A 73 1.747 -5.635 -5.156 1.00 0.00 H new ATOM 0 HA ALA A 73 2.564 -2.838 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.673 -2.568 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.041 -3.048 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.126 -4.247 -3.140 1.00 0.00 H new ATOM 1070 N ASN A 74 4.958 -3.173 -4.938 1.00 0.00 N ATOM 1071 CA ASN A 74 6.386 -3.431 -4.870 1.00 0.00 C ATOM 1072 C ASN A 74 6.911 -3.014 -3.495 1.00 0.00 C ATOM 1073 O ASN A 74 6.207 -2.355 -2.732 1.00 0.00 O ATOM 1074 CB ASN A 74 7.142 -2.625 -5.929 1.00 0.00 C ATOM 1075 CG ASN A 74 7.706 -3.542 -7.016 1.00 0.00 C ATOM 1076 OD1 ASN A 74 8.788 -4.094 -6.899 1.00 0.00 O ATOM 1077 ND2 ASN A 74 6.915 -3.672 -8.077 1.00 0.00 N ATOM 0 H ASN A 74 4.696 -2.193 -4.833 1.00 0.00 H new ATOM 0 HA ASN A 74 6.545 -4.495 -5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.473 -1.891 -6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.954 -2.071 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.202 -4.262 -8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.021 -3.181 -8.110 1.00 0.00 H new ATOM 1084 N ARG A 75 8.143 -3.416 -3.220 1.00 0.00 N ATOM 1085 CA ARG A 75 8.771 -3.093 -1.950 1.00 0.00 C ATOM 1086 C ARG A 75 8.941 -1.579 -1.812 1.00 0.00 C ATOM 1087 O ARG A 75 9.691 -0.963 -2.568 1.00 0.00 O ATOM 1088 CB ARG A 75 10.139 -3.766 -1.824 1.00 0.00 C ATOM 1089 CG ARG A 75 10.805 -3.410 -0.494 1.00 0.00 C ATOM 1090 CD ARG A 75 11.530 -4.620 0.098 1.00 0.00 C ATOM 1091 NE ARG A 75 12.969 -4.565 -0.243 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.906 -5.333 0.328 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.562 -6.219 1.273 1.00 0.00 N ATOM 1094 NH2 ARG A 75 15.188 -5.215 -0.044 1.00 0.00 N ATOM 0 H ARG A 75 8.724 -3.963 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 75 8.122 -3.464 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.025 -4.847 -1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.779 -3.455 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.513 -2.595 -0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.053 -3.053 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.405 -4.635 1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.092 -5.541 -0.287 1.00 0.00 H new ATOM 0 HE ARG A 75 13.266 -3.901 -0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.587 -6.308 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.276 -6.804 1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.451 -4.540 -0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.901 -5.800 0.391 1.00 0.00 H new ATOM 1108 N HIS A 76 8.231 -1.021 -0.842 1.00 0.00 N ATOM 1109 CA HIS A 76 8.294 0.409 -0.595 1.00 0.00 C ATOM 1110 C HIS A 76 7.516 1.152 -1.683 1.00 0.00 C ATOM 1111 O HIS A 76 8.104 1.858 -2.500 1.00 0.00 O ATOM 1112 CB HIS A 76 9.746 0.877 -0.481 1.00 0.00 C ATOM 1113 CG HIS A 76 10.129 1.360 0.898 1.00 0.00 C ATOM 1114 ND1 HIS A 76 10.753 2.575 1.121 1.00 0.00 N ATOM 1115 CD2 HIS A 76 9.970 0.779 2.121 1.00 0.00 C ATOM 1116 CE1 HIS A 76 10.955 2.709 2.423 1.00 0.00 C ATOM 1117 NE2 HIS A 76 10.470 1.594 3.042 1.00 0.00 N ATOM 0 H HIS A 76 7.609 -1.534 -0.218 1.00 0.00 H new ATOM 0 HA HIS A 76 7.823 0.638 0.361 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.405 0.056 -0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.915 1.682 -1.197 1.00 0.00 H new ATOM 0 HD2 HIS A 76 9.514 -0.182 2.309 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.422 3.553 2.909 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.489 1.416 4.046 1.00 0.00 H new ATOM 1125 N THR A 77 6.204 0.967 -1.658 1.00 0.00 N ATOM 1126 CA THR A 77 5.339 1.611 -2.632 1.00 0.00 C ATOM 1127 C THR A 77 4.144 2.264 -1.934 1.00 0.00 C ATOM 1128 O THR A 77 3.746 1.840 -0.850 1.00 0.00 O ATOM 1129 CB THR A 77 4.937 0.564 -3.672 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.603 -0.585 -2.898 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.119 0.105 -4.529 1.00 0.00 C ATOM 0 H THR A 77 5.719 0.380 -0.979 1.00 0.00 H new ATOM 0 HA THR A 77 5.857 2.420 -3.147 1.00 0.00 H new ATOM 0 HB THR A 77 4.159 0.974 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.289 -1.274 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.779 -0.638 -5.250 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.538 0.960 -5.059 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.884 -0.335 -3.889 1.00 0.00 H new ATOM 1139 N PRO A 78 3.592 3.313 -2.601 1.00 0.00 N ATOM 1140 CA PRO A 78 2.451 4.030 -2.057 1.00 0.00 C ATOM 1141 C PRO A 78 1.167 3.212 -2.209 1.00 0.00 C ATOM 1142 O PRO A 78 0.751 2.905 -3.325 1.00 0.00 O ATOM 1143 CB PRO A 78 2.412 5.344 -2.818 1.00 0.00 C ATOM 1144 CG PRO A 78 3.241 5.124 -4.073 1.00 0.00 C ATOM 1145 CD PRO A 78 4.038 3.843 -3.886 1.00 0.00 C ATOM 0 HA PRO A 78 2.539 4.209 -0.985 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.388 5.619 -3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.822 6.156 -2.217 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.596 5.048 -4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.909 5.968 -4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.847 3.136 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.110 4.041 -3.882 1.00 0.00 H new ATOM 1153 N LEU A 79 0.575 2.882 -1.071 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.653 2.106 -1.063 1.00 0.00 C ATOM 1155 C LEU A 79 -1.852 3.056 -1.102 1.00 0.00 C ATOM 1156 O LEU A 79 -2.684 2.974 -2.005 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.671 1.142 0.125 1.00 0.00 C ATOM 1158 CG LEU A 79 0.618 0.355 0.369 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.682 -0.158 1.809 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.772 -0.776 -0.650 1.00 0.00 C ATOM 0 H LEU A 79 0.923 3.138 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.713 1.479 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.902 1.711 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.485 0.432 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 79 1.462 1.030 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.608 -0.714 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.652 0.686 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.169 -0.812 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.696 -1.319 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.074 -1.458 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.804 -0.358 -1.656 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.902 3.935 -0.112 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.985 4.899 -0.022 1.00 0.00 C ATOM 1174 C VAL A 80 -2.400 6.311 0.059 1.00 0.00 C ATOM 1175 O VAL A 80 -1.371 6.524 0.698 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.891 4.559 1.163 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -5.043 3.649 0.729 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -3.090 3.925 2.301 1.00 0.00 C ATOM 0 H VAL A 80 -1.210 4.000 0.635 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.609 4.856 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.321 5.489 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.672 3.422 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.638 4.153 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.640 2.722 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.758 3.693 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.619 3.008 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.322 4.621 2.637 1.00 0.00 H new ATOM 1188 N GLU A 81 -3.081 7.238 -0.599 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.642 8.623 -0.610 1.00 0.00 C ATOM 1190 C GLU A 81 -3.468 9.449 0.378 1.00 0.00 C ATOM 1191 O GLU A 81 -4.682 9.575 0.224 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.721 9.212 -2.019 1.00 0.00 C ATOM 1193 CG GLU A 81 -2.665 10.740 -1.978 1.00 0.00 C ATOM 1194 CD GLU A 81 -1.878 11.292 -3.169 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -0.739 10.816 -3.367 1.00 0.00 O ATOM 1196 OE2 GLU A 81 -2.433 12.177 -3.855 1.00 0.00 O ATOM 0 H GLU A 81 -3.934 7.057 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.598 8.656 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.898 8.830 -2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.645 8.891 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.677 11.145 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.200 11.066 -1.048 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.777 9.991 1.370 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.431 10.802 2.382 1.00 0.00 C ATOM 1205 C PHE A 82 -3.595 12.247 1.906 1.00 0.00 C ATOM 1206 O PHE A 82 -2.841 12.712 1.052 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.532 10.785 3.620 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.803 9.615 4.569 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.948 9.585 5.301 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.898 8.606 4.680 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -4.200 8.500 6.182 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -2.149 7.521 5.560 1.00 0.00 C ATOM 1213 CZ PHE A 82 -3.295 7.491 6.293 1.00 0.00 C ATOM 0 H PHE A 82 -1.770 9.884 1.494 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.423 10.403 2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.491 10.746 3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.664 11.720 4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.666 10.387 5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.988 8.630 4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.110 8.476 6.763 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.431 6.719 5.648 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.486 6.666 6.963 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.583 12.917 2.479 1.00 0.00 N ATOM 1224 CA GLU A 83 -4.855 14.300 2.124 1.00 0.00 C ATOM 1225 C GLU A 83 -3.785 15.220 2.715 1.00 0.00 C ATOM 1226 O GLU A 83 -2.979 14.791 3.539 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.253 14.719 2.584 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.331 13.875 1.901 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.888 14.590 0.668 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -7.170 15.473 0.152 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -9.019 14.237 0.271 1.00 0.00 O ATOM 0 H GLU A 83 -5.206 12.528 3.187 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.823 14.389 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.332 14.610 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.414 15.773 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.913 12.912 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.139 13.672 2.604 1.00 0.00 H new