USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 380 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 12 SER OG : rot 43:sc= 0.0195 USER MOD Single : A 18 CYS SG : rot 180:sc= -3.77 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -102:sc= -2.14 (180deg=-4.18!) USER MOD Single : A 29 HIS : no HD1:sc= -0.0498 X(o=-0.05,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -122:sc= -0.176 (180deg=-2.07) USER MOD Single : A 46 ASN : amide:sc= -0.0738 K(o=-0.074,f=-1.9!) USER MOD Single : A 47 ASN : amide:sc= -2.34 X(o=-2.3,f=-2.8) USER MOD Single : A 48 THR OG1 : rot 1:sc= -0.745! USER MOD Single : A 53 LYS NZ :NH3+ -147:sc= 0.0375 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.02) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0547 USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= -0.102 (180deg=-0.631) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 12 5.872 7.265 4.543 1.00 0.00 N ATOM 184 CA SER A 12 6.179 5.885 5.030 1.00 0.00 C ATOM 185 C SER A 12 6.435 4.958 3.853 1.00 0.00 C ATOM 186 O SER A 12 5.922 5.165 2.771 1.00 0.00 O ATOM 187 CB SER A 12 4.973 5.364 5.825 1.00 0.00 C ATOM 188 OG SER A 12 5.050 6.054 7.063 1.00 0.00 O ATOM 0 HA SER A 12 7.068 5.913 5.660 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.036 5.573 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.025 4.284 5.966 1.00 0.00 H new ATOM 0 HG SER A 12 5.272 6.995 6.900 1.00 0.00 H new ATOM 194 N ALA A 13 7.220 3.946 4.082 1.00 0.00 N ATOM 195 CA ALA A 13 7.520 2.998 2.988 1.00 0.00 C ATOM 196 C ALA A 13 6.259 2.431 2.386 1.00 0.00 C ATOM 197 O ALA A 13 6.183 2.203 1.195 1.00 0.00 O ATOM 198 CB ALA A 13 8.338 1.831 3.561 1.00 0.00 C ATOM 0 H ALA A 13 7.663 3.738 4.977 1.00 0.00 H new ATOM 0 HA ALA A 13 8.069 3.534 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.567 1.122 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.266 2.212 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.761 1.330 4.338 1.00 0.00 H new ATOM 204 N PHE A 14 5.280 2.211 3.214 1.00 0.00 N ATOM 205 CA PHE A 14 4.000 1.648 2.704 1.00 0.00 C ATOM 206 C PHE A 14 3.074 2.745 2.143 1.00 0.00 C ATOM 207 O PHE A 14 2.065 2.454 1.541 1.00 0.00 O ATOM 208 CB PHE A 14 3.336 0.846 3.882 1.00 0.00 C ATOM 209 CG PHE A 14 1.875 1.248 4.149 1.00 0.00 C ATOM 210 CD1 PHE A 14 1.558 2.538 4.491 1.00 0.00 C ATOM 211 CD2 PHE A 14 0.864 0.304 4.068 1.00 0.00 C ATOM 212 CE1 PHE A 14 0.250 2.892 4.750 1.00 0.00 C ATOM 213 CE2 PHE A 14 -0.437 0.655 4.324 1.00 0.00 C ATOM 214 CZ PHE A 14 -0.747 1.949 4.666 1.00 0.00 C ATOM 0 H PHE A 14 5.309 2.395 4.217 1.00 0.00 H new ATOM 0 HA PHE A 14 4.188 0.979 1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.376 -0.219 3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.919 1.000 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.338 3.282 4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.102 -0.715 3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.009 3.910 5.019 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.219 -0.087 4.257 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.771 2.225 4.868 1.00 0.00 H new ATOM 224 N PHE A 15 3.394 3.976 2.386 1.00 0.00 N ATOM 225 CA PHE A 15 2.513 5.035 1.844 1.00 0.00 C ATOM 226 C PHE A 15 2.719 5.061 0.361 1.00 0.00 C ATOM 227 O PHE A 15 1.803 5.258 -0.417 1.00 0.00 O ATOM 228 CB PHE A 15 2.920 6.391 2.415 1.00 0.00 C ATOM 229 CG PHE A 15 1.960 7.452 1.879 1.00 0.00 C ATOM 230 CD1 PHE A 15 0.633 7.455 2.271 1.00 0.00 C ATOM 231 CD2 PHE A 15 2.397 8.405 0.981 1.00 0.00 C ATOM 232 CE1 PHE A 15 -0.239 8.397 1.770 1.00 0.00 C ATOM 233 CE2 PHE A 15 1.523 9.347 0.482 1.00 0.00 C ATOM 234 CZ PHE A 15 0.205 9.341 0.876 1.00 0.00 C ATOM 0 H PHE A 15 4.203 4.291 2.921 1.00 0.00 H new ATOM 0 HA PHE A 15 1.473 4.837 2.104 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.889 6.368 3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.945 6.629 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.279 6.715 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.430 8.413 0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.273 8.393 2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.873 10.090 -0.219 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.480 10.078 0.483 1.00 0.00 H new ATOM 244 N LEU A 16 3.944 4.854 0.002 1.00 0.00 N ATOM 245 CA LEU A 16 4.311 4.844 -1.409 1.00 0.00 C ATOM 246 C LEU A 16 3.642 3.654 -2.068 1.00 0.00 C ATOM 247 O LEU A 16 3.477 3.599 -3.270 1.00 0.00 O ATOM 248 CB LEU A 16 5.836 4.660 -1.485 1.00 0.00 C ATOM 249 CG LEU A 16 6.531 5.706 -0.595 1.00 0.00 C ATOM 250 CD1 LEU A 16 8.039 5.420 -0.572 1.00 0.00 C ATOM 251 CD2 LEU A 16 6.275 7.112 -1.158 1.00 0.00 C ATOM 0 H LEU A 16 4.716 4.689 0.648 1.00 0.00 H new ATOM 0 HA LEU A 16 4.005 5.765 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.107 3.655 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.173 4.764 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 16 6.134 5.652 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.539 6.157 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.214 4.422 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.436 5.478 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.768 7.852 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.673 7.176 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.203 7.307 -1.176 1.00 0.00 H new ATOM 263 N PHE A 17 3.268 2.715 -1.235 1.00 0.00 N ATOM 264 CA PHE A 17 2.601 1.490 -1.721 1.00 0.00 C ATOM 265 C PHE A 17 1.100 1.718 -1.771 1.00 0.00 C ATOM 266 O PHE A 17 0.420 1.237 -2.648 1.00 0.00 O ATOM 267 CB PHE A 17 2.940 0.406 -0.705 1.00 0.00 C ATOM 268 CG PHE A 17 2.116 -0.841 -0.897 1.00 0.00 C ATOM 269 CD1 PHE A 17 0.863 -0.936 -0.321 1.00 0.00 C ATOM 270 CD2 PHE A 17 2.654 -1.943 -1.527 1.00 0.00 C ATOM 271 CE1 PHE A 17 0.168 -2.113 -0.364 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.951 -3.122 -1.571 1.00 0.00 C ATOM 273 CZ PHE A 17 0.708 -3.204 -0.983 1.00 0.00 C ATOM 0 H PHE A 17 3.403 2.755 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 17 2.928 1.211 -2.723 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.998 0.155 -0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.780 0.793 0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.430 -0.075 0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.629 -1.879 -1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.809 -2.180 0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.372 -3.984 -2.066 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.159 -4.134 -1.012 1.00 0.00 H new ATOM 283 N CYS A 18 0.605 2.450 -0.815 1.00 0.00 N ATOM 284 CA CYS A 18 -0.839 2.726 -0.789 1.00 0.00 C ATOM 285 C CYS A 18 -1.316 3.192 -2.164 1.00 0.00 C ATOM 286 O CYS A 18 -2.238 2.642 -2.723 1.00 0.00 O ATOM 287 CB CYS A 18 -1.091 3.847 0.240 1.00 0.00 C ATOM 288 SG CYS A 18 -2.771 4.509 0.364 1.00 0.00 S ATOM 0 H CYS A 18 1.144 2.865 -0.055 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.383 1.820 -0.520 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.805 3.472 1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.420 4.674 0.007 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.806 5.437 1.274 1.00 0.00 H new ATOM 294 N SER A 19 -0.651 4.184 -2.691 1.00 0.00 N ATOM 295 CA SER A 19 -1.040 4.708 -4.022 1.00 0.00 C ATOM 296 C SER A 19 -1.070 3.604 -5.078 1.00 0.00 C ATOM 297 O SER A 19 -1.788 3.698 -6.054 1.00 0.00 O ATOM 298 CB SER A 19 -0.001 5.759 -4.445 1.00 0.00 C ATOM 299 OG SER A 19 -0.492 6.257 -5.681 1.00 0.00 O ATOM 0 H SER A 19 0.144 4.651 -2.254 1.00 0.00 H new ATOM 0 HA SER A 19 -2.040 5.135 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.088 6.553 -3.703 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.989 5.317 -4.559 1.00 0.00 H new ATOM 0 HG SER A 19 0.119 6.942 -6.024 1.00 0.00 H new ATOM 305 N GLU A 20 -0.285 2.576 -4.871 1.00 0.00 N ATOM 306 CA GLU A 20 -0.259 1.462 -5.857 1.00 0.00 C ATOM 307 C GLU A 20 -1.441 0.506 -5.661 1.00 0.00 C ATOM 308 O GLU A 20 -2.179 0.242 -6.585 1.00 0.00 O ATOM 309 CB GLU A 20 1.067 0.680 -5.677 1.00 0.00 C ATOM 310 CG GLU A 20 1.051 -0.595 -6.537 1.00 0.00 C ATOM 311 CD GLU A 20 0.662 -0.244 -7.977 1.00 0.00 C ATOM 312 OE1 GLU A 20 1.117 0.798 -8.423 1.00 0.00 O ATOM 313 OE2 GLU A 20 -0.067 -1.036 -8.550 1.00 0.00 O ATOM 0 H GLU A 20 0.333 2.464 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.333 1.882 -6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.910 1.309 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.204 0.418 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.033 -1.068 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.344 -1.314 -6.124 1.00 0.00 H new ATOM 320 N TYR A 21 -1.583 -0.014 -4.463 1.00 0.00 N ATOM 321 CA TYR A 21 -2.703 -0.952 -4.185 1.00 0.00 C ATOM 322 C TYR A 21 -3.949 -0.218 -3.728 1.00 0.00 C ATOM 323 O TYR A 21 -4.778 -0.769 -3.037 1.00 0.00 O ATOM 324 CB TYR A 21 -2.242 -1.901 -3.062 1.00 0.00 C ATOM 325 CG TYR A 21 -1.375 -3.004 -3.652 1.00 0.00 C ATOM 326 CD1 TYR A 21 -0.022 -2.812 -3.810 1.00 0.00 C ATOM 327 CD2 TYR A 21 -1.930 -4.210 -4.021 1.00 0.00 C ATOM 328 CE1 TYR A 21 0.770 -3.815 -4.327 1.00 0.00 C ATOM 329 CE2 TYR A 21 -1.141 -5.214 -4.538 1.00 0.00 C ATOM 330 CZ TYR A 21 0.216 -5.025 -4.695 1.00 0.00 C ATOM 331 OH TYR A 21 1.008 -6.032 -5.206 1.00 0.00 O ATOM 0 H TYR A 21 -0.969 0.175 -3.671 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.953 -1.492 -5.098 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.681 -1.346 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.107 -2.334 -2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.423 -1.869 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.992 -4.369 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.831 -3.653 -4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.588 -6.155 -4.822 1.00 0.00 H new ATOM 0 HH TYR A 21 0.453 -6.813 -5.410 1.00 0.00 H new ATOM 341 N ARG A 22 -4.068 1.008 -4.122 1.00 0.00 N ATOM 342 CA ARG A 22 -5.267 1.792 -3.711 1.00 0.00 C ATOM 343 C ARG A 22 -6.493 1.496 -4.629 1.00 0.00 C ATOM 344 O ARG A 22 -7.569 1.219 -4.135 1.00 0.00 O ATOM 345 CB ARG A 22 -4.912 3.328 -3.735 1.00 0.00 C ATOM 346 CG ARG A 22 -4.955 3.907 -2.295 1.00 0.00 C ATOM 347 CD ARG A 22 -4.818 5.449 -2.338 1.00 0.00 C ATOM 348 NE ARG A 22 -6.162 6.043 -2.122 1.00 0.00 N ATOM 349 CZ ARG A 22 -6.404 7.258 -2.532 1.00 0.00 C ATOM 350 NH1 ARG A 22 -6.731 7.447 -3.782 1.00 0.00 N ATOM 351 NH2 ARG A 22 -6.309 8.241 -1.681 1.00 0.00 N ATOM 0 H ARG A 22 -3.396 1.505 -4.707 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.547 1.495 -2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.921 3.474 -4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.617 3.862 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.892 3.631 -1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.150 3.479 -1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.124 5.790 -1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.412 5.767 -3.298 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.892 5.504 -1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.793 6.652 -4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.924 8.389 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.049 8.054 -0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.495 9.197 -1.984 1.00 0.00 H new ATOM 365 N PRO A 23 -6.313 1.557 -5.954 1.00 0.00 N ATOM 366 CA PRO A 23 -7.421 1.292 -6.880 1.00 0.00 C ATOM 367 C PRO A 23 -7.730 -0.213 -6.968 1.00 0.00 C ATOM 368 O PRO A 23 -8.854 -0.604 -7.209 1.00 0.00 O ATOM 369 CB PRO A 23 -6.911 1.807 -8.260 1.00 0.00 C ATOM 370 CG PRO A 23 -5.369 2.034 -8.114 1.00 0.00 C ATOM 371 CD PRO A 23 -5.034 1.911 -6.602 1.00 0.00 C ATOM 0 HA PRO A 23 -8.340 1.779 -6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.123 1.082 -9.046 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.414 2.733 -8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.814 1.296 -8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.086 3.016 -8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.278 1.146 -6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -4.638 2.847 -6.208 1.00 0.00 H new ATOM 379 N LYS A 24 -6.724 -1.020 -6.771 1.00 0.00 N ATOM 380 CA LYS A 24 -6.936 -2.475 -6.842 1.00 0.00 C ATOM 381 C LYS A 24 -8.071 -2.896 -5.935 1.00 0.00 C ATOM 382 O LYS A 24 -9.023 -3.516 -6.367 1.00 0.00 O ATOM 383 CB LYS A 24 -5.648 -3.164 -6.378 1.00 0.00 C ATOM 384 CG LYS A 24 -4.483 -2.758 -7.297 1.00 0.00 C ATOM 385 CD LYS A 24 -4.722 -3.307 -8.723 1.00 0.00 C ATOM 386 CE LYS A 24 -3.381 -3.441 -9.452 1.00 0.00 C ATOM 387 NZ LYS A 24 -3.598 -3.878 -10.859 1.00 0.00 N ATOM 0 H LYS A 24 -5.769 -0.726 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.188 -2.755 -7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.426 -2.885 -5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.777 -4.246 -6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.393 -1.672 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.544 -3.145 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.219 -4.276 -8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.383 -2.639 -9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.855 -2.487 -9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.748 -4.162 -8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.681 -3.965 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.081 -4.799 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.184 -3.176 -11.354 1.00 0.00 H new ATOM 401 N ILE A 25 -7.952 -2.551 -4.691 1.00 0.00 N ATOM 402 CA ILE A 25 -9.011 -2.917 -3.732 1.00 0.00 C ATOM 403 C ILE A 25 -10.245 -2.041 -3.958 1.00 0.00 C ATOM 404 O ILE A 25 -11.297 -2.532 -4.317 1.00 0.00 O ATOM 405 CB ILE A 25 -8.472 -2.703 -2.272 1.00 0.00 C ATOM 406 CG1 ILE A 25 -7.197 -1.855 -2.297 1.00 0.00 C ATOM 407 CG2 ILE A 25 -8.123 -4.078 -1.645 1.00 0.00 C ATOM 408 CD1 ILE A 25 -6.784 -1.479 -0.864 1.00 0.00 C ATOM 0 H ILE A 25 -7.166 -2.032 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.289 -3.961 -3.875 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.242 -2.198 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.393 -2.408 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.363 -0.952 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.749 -3.931 -0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.017 -4.702 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.358 -4.569 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.876 -0.876 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.584 -0.908 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.599 -2.386 -0.289 1.00 0.00 H new ATOM 420 N LYS A 26 -10.088 -0.752 -3.760 1.00 0.00 N ATOM 421 CA LYS A 26 -11.237 0.160 -3.959 1.00 0.00 C ATOM 422 C LYS A 26 -11.924 -0.171 -5.270 1.00 0.00 C ATOM 423 O LYS A 26 -13.097 0.090 -5.453 1.00 0.00 O ATOM 424 CB LYS A 26 -10.706 1.620 -3.982 1.00 0.00 C ATOM 425 CG LYS A 26 -11.883 2.626 -4.049 1.00 0.00 C ATOM 426 CD LYS A 26 -12.453 2.878 -2.631 1.00 0.00 C ATOM 427 CE LYS A 26 -11.589 3.914 -1.881 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.315 4.424 -0.684 1.00 0.00 N ATOM 0 H LYS A 26 -9.218 -0.305 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.959 0.046 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.108 1.810 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.050 1.761 -4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.543 3.566 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.666 2.238 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.480 3.235 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.479 1.943 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.646 3.459 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.343 4.742 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.707 5.365 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.088 3.772 -0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.657 4.492 0.118 1.00 0.00 H new ATOM 442 N GLY A 27 -11.180 -0.763 -6.156 1.00 0.00 N ATOM 443 CA GLY A 27 -11.767 -1.124 -7.454 1.00 0.00 C ATOM 444 C GLY A 27 -12.883 -2.122 -7.207 1.00 0.00 C ATOM 445 O GLY A 27 -14.031 -1.877 -7.517 1.00 0.00 O ATOM 0 H GLY A 27 -10.198 -1.008 -6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.154 -0.237 -7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.009 -1.555 -8.108 1.00 0.00 H new ATOM 449 N GLU A 28 -12.510 -3.235 -6.642 1.00 0.00 N ATOM 450 CA GLU A 28 -13.495 -4.275 -6.349 1.00 0.00 C ATOM 451 C GLU A 28 -14.262 -3.909 -5.082 1.00 0.00 C ATOM 452 O GLU A 28 -15.141 -4.626 -4.650 1.00 0.00 O ATOM 453 CB GLU A 28 -12.735 -5.586 -6.119 1.00 0.00 C ATOM 454 CG GLU A 28 -12.327 -6.178 -7.470 1.00 0.00 C ATOM 455 CD GLU A 28 -11.641 -7.527 -7.242 1.00 0.00 C ATOM 456 OE1 GLU A 28 -11.911 -8.100 -6.199 1.00 0.00 O ATOM 457 OE2 GLU A 28 -10.886 -7.906 -8.121 1.00 0.00 O ATOM 0 H GLU A 28 -11.552 -3.458 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.200 -4.376 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.852 -5.405 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.361 -6.292 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.204 -6.305 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.653 -5.497 -7.990 1.00 0.00 H new ATOM 464 N HIS A 29 -13.898 -2.781 -4.508 1.00 0.00 N ATOM 465 CA HIS A 29 -14.570 -2.310 -3.263 1.00 0.00 C ATOM 466 C HIS A 29 -14.881 -0.807 -3.363 1.00 0.00 C ATOM 467 O HIS A 29 -14.297 -0.008 -2.657 1.00 0.00 O ATOM 468 CB HIS A 29 -13.585 -2.516 -2.096 1.00 0.00 C ATOM 469 CG HIS A 29 -13.558 -3.992 -1.694 1.00 0.00 C ATOM 470 ND1 HIS A 29 -14.177 -4.475 -0.724 1.00 0.00 N ATOM 471 CD2 HIS A 29 -12.886 -5.056 -2.267 1.00 0.00 C ATOM 472 CE1 HIS A 29 -13.978 -5.720 -0.616 1.00 0.00 C ATOM 473 NE2 HIS A 29 -13.160 -6.189 -1.561 1.00 0.00 N ATOM 0 H HIS A 29 -13.160 -2.168 -4.855 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.498 -2.862 -3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -12.587 -2.191 -2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.882 -1.903 -1.245 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.246 -4.998 -3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.420 -6.334 0.154 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.828 -7.141 -1.714 1.00 0.00 H new ATOM 481 N PRO A 30 -15.805 -0.445 -4.243 1.00 0.00 N ATOM 482 CA PRO A 30 -16.170 0.958 -4.415 1.00 0.00 C ATOM 483 C PRO A 30 -16.886 1.497 -3.165 1.00 0.00 C ATOM 484 O PRO A 30 -18.092 1.657 -3.152 1.00 0.00 O ATOM 485 CB PRO A 30 -17.120 0.974 -5.661 1.00 0.00 C ATOM 486 CG PRO A 30 -17.424 -0.519 -6.022 1.00 0.00 C ATOM 487 CD PRO A 30 -16.527 -1.399 -5.111 1.00 0.00 C ATOM 0 HA PRO A 30 -15.298 1.595 -4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.041 1.512 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.648 1.485 -6.500 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.478 -0.747 -5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.212 -0.712 -7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.125 -2.093 -4.521 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.833 -1.998 -5.701 1.00 0.00 H new ATOM 495 N GLY A 31 -16.128 1.758 -2.130 1.00 0.00 N ATOM 496 CA GLY A 31 -16.763 2.286 -0.888 1.00 0.00 C ATOM 497 C GLY A 31 -15.861 2.112 0.340 1.00 0.00 C ATOM 498 O GLY A 31 -16.347 2.061 1.451 1.00 0.00 O ATOM 0 H GLY A 31 -15.117 1.631 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.994 3.343 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -17.709 1.772 -0.718 1.00 0.00 H new ATOM 502 N LEU A 32 -14.567 2.020 0.137 1.00 0.00 N ATOM 503 CA LEU A 32 -13.684 1.853 1.323 1.00 0.00 C ATOM 504 C LEU A 32 -13.575 3.153 2.079 1.00 0.00 C ATOM 505 O LEU A 32 -13.638 4.223 1.507 1.00 0.00 O ATOM 506 CB LEU A 32 -12.224 1.498 0.892 1.00 0.00 C ATOM 507 CG LEU A 32 -12.065 0.055 0.335 1.00 0.00 C ATOM 508 CD1 LEU A 32 -10.571 -0.333 0.437 1.00 0.00 C ATOM 509 CD2 LEU A 32 -12.868 -0.949 1.161 1.00 0.00 C ATOM 0 H LEU A 32 -14.101 2.052 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.122 1.060 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.897 2.208 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.562 1.621 1.749 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.425 0.033 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.430 -1.343 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.973 0.365 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.256 -0.295 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.737 -1.949 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.517 -0.935 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.924 -0.681 1.133 1.00 0.00 H new ATOM 521 N SER A 33 -13.413 3.034 3.359 1.00 0.00 N ATOM 522 CA SER A 33 -13.285 4.229 4.193 1.00 0.00 C ATOM 523 C SER A 33 -11.811 4.537 4.301 1.00 0.00 C ATOM 524 O SER A 33 -11.005 3.628 4.334 1.00 0.00 O ATOM 525 CB SER A 33 -13.841 3.925 5.594 1.00 0.00 C ATOM 526 OG SER A 33 -15.185 3.526 5.356 1.00 0.00 O ATOM 0 H SER A 33 -13.364 2.147 3.860 1.00 0.00 H new ATOM 0 HA SER A 33 -13.832 5.069 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.272 3.136 6.086 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.794 4.802 6.240 1.00 0.00 H new ATOM 0 HG SER A 33 -15.618 3.310 6.208 1.00 0.00 H new ATOM 532 N ILE A 34 -11.457 5.790 4.339 1.00 0.00 N ATOM 533 CA ILE A 34 -10.011 6.124 4.443 1.00 0.00 C ATOM 534 C ILE A 34 -9.323 5.223 5.456 1.00 0.00 C ATOM 535 O ILE A 34 -8.144 4.948 5.355 1.00 0.00 O ATOM 536 CB ILE A 34 -9.881 7.580 4.878 1.00 0.00 C ATOM 537 CG1 ILE A 34 -10.727 8.466 3.957 1.00 0.00 C ATOM 538 CG2 ILE A 34 -8.400 8.009 4.756 1.00 0.00 C ATOM 539 CD1 ILE A 34 -10.442 9.945 4.255 1.00 0.00 C ATOM 0 H ILE A 34 -12.094 6.586 4.303 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.534 5.973 3.475 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.223 7.686 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.499 8.245 2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.786 8.253 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.296 9.049 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.784 7.377 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.075 7.903 3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.045 10.571 3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.692 10.162 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.386 10.153 4.085 1.00 0.00 H new ATOM 551 N GLY A 35 -10.072 4.781 6.414 1.00 0.00 N ATOM 552 CA GLY A 35 -9.479 3.896 7.437 1.00 0.00 C ATOM 553 C GLY A 35 -9.234 2.515 6.825 1.00 0.00 C ATOM 554 O GLY A 35 -8.153 1.979 6.914 1.00 0.00 O ATOM 0 H GLY A 35 -11.063 4.992 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.542 4.317 7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.146 3.814 8.295 1.00 0.00 H new ATOM 558 N ASP A 36 -10.248 1.984 6.185 1.00 0.00 N ATOM 559 CA ASP A 36 -10.112 0.647 5.557 1.00 0.00 C ATOM 560 C ASP A 36 -9.038 0.638 4.501 1.00 0.00 C ATOM 561 O ASP A 36 -8.251 -0.281 4.410 1.00 0.00 O ATOM 562 CB ASP A 36 -11.449 0.298 4.880 1.00 0.00 C ATOM 563 CG ASP A 36 -11.546 -1.219 4.687 1.00 0.00 C ATOM 564 OD1 ASP A 36 -10.504 -1.799 4.420 1.00 0.00 O ATOM 565 OD2 ASP A 36 -12.653 -1.714 4.818 1.00 0.00 O ATOM 0 H ASP A 36 -11.161 2.425 6.074 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.845 -0.073 6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.280 0.651 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.523 0.803 3.917 1.00 0.00 H new ATOM 570 N VAL A 37 -9.025 1.662 3.722 1.00 0.00 N ATOM 571 CA VAL A 37 -8.019 1.744 2.662 1.00 0.00 C ATOM 572 C VAL A 37 -6.637 1.567 3.244 1.00 0.00 C ATOM 573 O VAL A 37 -5.950 0.612 2.960 1.00 0.00 O ATOM 574 CB VAL A 37 -8.108 3.153 2.024 1.00 0.00 C ATOM 575 CG1 VAL A 37 -6.985 3.312 0.996 1.00 0.00 C ATOM 576 CG2 VAL A 37 -9.471 3.324 1.342 1.00 0.00 C ATOM 0 H VAL A 37 -9.672 2.449 3.776 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.200 0.964 1.923 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.001 3.914 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.043 4.302 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.020 3.195 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.091 2.553 0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.532 4.316 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.587 2.567 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.264 3.211 2.081 1.00 0.00 H new ATOM 586 N ALA A 38 -6.281 2.479 4.070 1.00 0.00 N ATOM 587 CA ALA A 38 -4.955 2.426 4.704 1.00 0.00 C ATOM 588 C ALA A 38 -4.762 1.180 5.580 1.00 0.00 C ATOM 589 O ALA A 38 -3.652 0.707 5.731 1.00 0.00 O ATOM 590 CB ALA A 38 -4.818 3.682 5.552 1.00 0.00 C ATOM 0 H ALA A 38 -6.859 3.275 4.341 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.191 2.370 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.845 3.685 6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.906 4.562 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.605 3.700 6.306 1.00 0.00 H new ATOM 596 N LYS A 39 -5.830 0.660 6.144 1.00 0.00 N ATOM 597 CA LYS A 39 -5.669 -0.551 6.999 1.00 0.00 C ATOM 598 C LYS A 39 -5.399 -1.790 6.138 1.00 0.00 C ATOM 599 O LYS A 39 -4.383 -2.442 6.282 1.00 0.00 O ATOM 600 CB LYS A 39 -6.980 -0.767 7.832 1.00 0.00 C ATOM 601 CG LYS A 39 -6.804 -0.196 9.261 1.00 0.00 C ATOM 602 CD LYS A 39 -6.740 1.348 9.204 1.00 0.00 C ATOM 603 CE LYS A 39 -5.982 1.875 10.430 1.00 0.00 C ATOM 604 NZ LYS A 39 -5.874 3.359 10.374 1.00 0.00 N ATOM 0 H LYS A 39 -6.782 1.015 6.050 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.820 -0.403 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.819 -0.278 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.216 -1.830 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.634 -0.512 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.893 -0.591 9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.241 1.668 8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.747 1.764 9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.499 1.576 11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.987 1.433 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.359 3.701 11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.361 3.638 9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.827 3.776 10.360 1.00 0.00 H new ATOM 618 N LYS A 40 -6.314 -2.087 5.266 1.00 0.00 N ATOM 619 CA LYS A 40 -6.133 -3.269 4.393 1.00 0.00 C ATOM 620 C LYS A 40 -4.804 -3.184 3.668 1.00 0.00 C ATOM 621 O LYS A 40 -4.122 -4.165 3.496 1.00 0.00 O ATOM 622 CB LYS A 40 -7.282 -3.295 3.362 1.00 0.00 C ATOM 623 CG LYS A 40 -7.386 -4.702 2.724 1.00 0.00 C ATOM 624 CD LYS A 40 -8.797 -4.909 2.157 1.00 0.00 C ATOM 625 CE LYS A 40 -8.868 -6.287 1.490 1.00 0.00 C ATOM 626 NZ LYS A 40 -10.222 -6.519 0.910 1.00 0.00 N ATOM 0 H LYS A 40 -7.177 -1.563 5.121 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.144 -4.177 4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.223 -3.036 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.105 -2.548 2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.646 -4.808 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.167 -5.467 3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.537 -4.838 2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.031 -4.128 1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.114 -6.357 0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.641 -7.063 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.252 -7.457 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.936 -6.473 1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.424 -5.789 0.197 1.00 0.00 H new ATOM 640 N LEU A 41 -4.462 -2.017 3.233 1.00 0.00 N ATOM 641 CA LEU A 41 -3.177 -1.887 2.526 1.00 0.00 C ATOM 642 C LEU A 41 -2.073 -2.365 3.425 1.00 0.00 C ATOM 643 O LEU A 41 -1.082 -2.911 2.980 1.00 0.00 O ATOM 644 CB LEU A 41 -2.920 -0.401 2.209 1.00 0.00 C ATOM 645 CG LEU A 41 -3.788 0.048 1.033 1.00 0.00 C ATOM 646 CD1 LEU A 41 -3.802 1.589 0.998 1.00 0.00 C ATOM 647 CD2 LEU A 41 -3.202 -0.496 -0.295 1.00 0.00 C ATOM 0 H LEU A 41 -5.007 -1.160 3.334 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.208 -2.474 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.140 0.208 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.867 -0.250 1.971 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.801 -0.336 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.417 1.928 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.214 1.970 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.785 1.959 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.826 -0.172 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.190 -0.114 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.177 -1.585 -0.263 1.00 0.00 H new ATOM 659 N GLY A 42 -2.268 -2.148 4.684 1.00 0.00 N ATOM 660 CA GLY A 42 -1.256 -2.570 5.651 1.00 0.00 C ATOM 661 C GLY A 42 -1.124 -4.093 5.634 1.00 0.00 C ATOM 662 O GLY A 42 -0.050 -4.633 5.812 1.00 0.00 O ATOM 0 H GLY A 42 -3.091 -1.694 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.297 -2.110 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.531 -2.231 6.650 1.00 0.00 H new ATOM 666 N GLU A 43 -2.235 -4.758 5.414 1.00 0.00 N ATOM 667 CA GLU A 43 -2.211 -6.231 5.379 1.00 0.00 C ATOM 668 C GLU A 43 -1.420 -6.716 4.160 1.00 0.00 C ATOM 669 O GLU A 43 -0.497 -7.497 4.288 1.00 0.00 O ATOM 670 CB GLU A 43 -3.691 -6.729 5.289 1.00 0.00 C ATOM 671 CG GLU A 43 -4.196 -7.112 6.689 1.00 0.00 C ATOM 672 CD GLU A 43 -5.640 -7.613 6.584 1.00 0.00 C ATOM 673 OE1 GLU A 43 -5.822 -8.597 5.885 1.00 0.00 O ATOM 674 OE2 GLU A 43 -6.479 -6.984 7.207 1.00 0.00 O ATOM 0 H GLU A 43 -3.149 -4.333 5.259 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.729 -6.624 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.322 -5.948 4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.756 -7.588 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.560 -7.886 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.145 -6.251 7.355 1.00 0.00 H new ATOM 681 N MET A 44 -1.798 -6.247 2.999 1.00 0.00 N ATOM 682 CA MET A 44 -1.071 -6.676 1.776 1.00 0.00 C ATOM 683 C MET A 44 0.389 -6.293 1.886 1.00 0.00 C ATOM 684 O MET A 44 1.269 -7.087 1.623 1.00 0.00 O ATOM 685 CB MET A 44 -1.697 -5.972 0.550 1.00 0.00 C ATOM 686 CG MET A 44 -2.971 -6.714 0.162 1.00 0.00 C ATOM 687 SD MET A 44 -4.005 -5.982 -1.129 1.00 0.00 S ATOM 688 CE MET A 44 -4.605 -4.550 -0.188 1.00 0.00 C ATOM 0 H MET A 44 -2.568 -5.595 2.849 1.00 0.00 H new ATOM 0 HA MET A 44 -1.148 -7.758 1.665 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.922 -4.932 0.785 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.994 -5.966 -0.283 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.691 -7.717 -0.160 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.581 -6.826 1.058 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.694 -4.569 -0.152 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.208 -4.589 0.826 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.274 -3.632 -0.673 1.00 0.00 H new ATOM 698 N TRP A 45 0.620 -5.081 2.266 1.00 0.00 N ATOM 699 CA TRP A 45 2.011 -4.612 2.407 1.00 0.00 C ATOM 700 C TRP A 45 2.790 -5.581 3.259 1.00 0.00 C ATOM 701 O TRP A 45 3.757 -6.170 2.821 1.00 0.00 O ATOM 702 CB TRP A 45 1.953 -3.258 3.107 1.00 0.00 C ATOM 703 CG TRP A 45 3.339 -2.804 3.553 1.00 0.00 C ATOM 704 CD1 TRP A 45 3.697 -2.693 4.816 1.00 0.00 C ATOM 705 CD2 TRP A 45 4.271 -2.346 2.757 1.00 0.00 C ATOM 706 NE1 TRP A 45 4.904 -2.127 4.759 1.00 0.00 N ATOM 707 CE2 TRP A 45 5.347 -1.870 3.482 1.00 0.00 C ATOM 708 CE3 TRP A 45 4.280 -2.251 1.386 1.00 0.00 C ATOM 709 CZ2 TRP A 45 6.414 -1.305 2.837 1.00 0.00 C ATOM 710 CZ3 TRP A 45 5.351 -1.684 0.743 1.00 0.00 C ATOM 711 CH2 TRP A 45 6.413 -1.209 1.468 1.00 0.00 C ATOM 0 H TRP A 45 -0.098 -4.391 2.486 1.00 0.00 H new ATOM 0 HA TRP A 45 2.497 -4.535 1.435 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.524 -2.516 2.433 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.293 -3.322 3.972 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.142 -2.991 5.694 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.451 -1.904 5.590 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.443 -2.623 0.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.255 -0.935 3.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.357 -1.612 -0.335 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.252 -0.757 0.960 1.00 0.00 H new ATOM 722 N ASN A 46 2.354 -5.717 4.468 1.00 0.00 N ATOM 723 CA ASN A 46 3.041 -6.645 5.391 1.00 0.00 C ATOM 724 C ASN A 46 3.242 -7.997 4.713 1.00 0.00 C ATOM 725 O ASN A 46 4.270 -8.628 4.859 1.00 0.00 O ATOM 726 CB ASN A 46 2.146 -6.842 6.635 1.00 0.00 C ATOM 727 CG ASN A 46 2.349 -5.677 7.604 1.00 0.00 C ATOM 728 OD1 ASN A 46 3.397 -5.064 7.648 1.00 0.00 O ATOM 729 ND2 ASN A 46 1.370 -5.342 8.400 1.00 0.00 N ATOM 0 H ASN A 46 1.550 -5.226 4.859 1.00 0.00 H new ATOM 0 HA ASN A 46 4.011 -6.235 5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.099 -6.901 6.336 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.391 -7.784 7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.487 -4.569 9.055 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.488 -5.853 8.367 1.00 0.00 H new ATOM 736 N ASN A 47 2.243 -8.409 3.980 1.00 0.00 N ATOM 737 CA ASN A 47 2.333 -9.703 3.280 1.00 0.00 C ATOM 738 C ASN A 47 3.302 -9.623 2.104 1.00 0.00 C ATOM 739 O ASN A 47 3.817 -10.624 1.650 1.00 0.00 O ATOM 740 CB ASN A 47 0.937 -10.055 2.745 1.00 0.00 C ATOM 741 CG ASN A 47 -0.050 -10.132 3.911 1.00 0.00 C ATOM 742 OD1 ASN A 47 0.317 -10.425 5.032 1.00 0.00 O ATOM 743 ND2 ASN A 47 -1.311 -9.876 3.691 1.00 0.00 N ATOM 0 H ASN A 47 1.371 -7.898 3.841 1.00 0.00 H new ATOM 0 HA ASN A 47 2.695 -10.460 3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.610 -9.303 2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.968 -11.008 2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.982 -9.922 4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.625 -9.630 2.752 1.00 0.00 H new ATOM 750 N THR A 48 3.528 -8.425 1.632 1.00 0.00 N ATOM 751 CA THR A 48 4.456 -8.248 0.488 1.00 0.00 C ATOM 752 C THR A 48 5.870 -8.670 0.868 1.00 0.00 C ATOM 753 O THR A 48 6.416 -8.210 1.850 1.00 0.00 O ATOM 754 CB THR A 48 4.460 -6.759 0.109 1.00 0.00 C ATOM 755 OG1 THR A 48 3.105 -6.369 0.156 1.00 0.00 O ATOM 756 CG2 THR A 48 4.868 -6.550 -1.365 1.00 0.00 C ATOM 0 H THR A 48 3.109 -7.567 1.991 1.00 0.00 H new ATOM 0 HA THR A 48 4.127 -8.866 -0.347 1.00 0.00 H new ATOM 0 HB THR A 48 5.140 -6.217 0.766 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.554 -7.132 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.860 -5.485 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.870 -6.949 -1.525 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.163 -7.069 -2.015 1.00 0.00 H new ATOM 764 N ALA A 49 6.436 -9.543 0.085 1.00 0.00 N ATOM 765 CA ALA A 49 7.809 -10.006 0.384 1.00 0.00 C ATOM 766 C ALA A 49 8.748 -8.826 0.595 1.00 0.00 C ATOM 767 O ALA A 49 8.469 -7.721 0.174 1.00 0.00 O ATOM 768 CB ALA A 49 8.311 -10.828 -0.813 1.00 0.00 C ATOM 0 H ALA A 49 6.006 -9.952 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 49 7.792 -10.604 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.323 -11.180 -0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.653 -11.683 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.313 -10.205 -1.707 1.00 0.00 H new ATOM 774 N ALA A 50 9.846 -9.078 1.255 1.00 0.00 N ATOM 775 CA ALA A 50 10.806 -7.990 1.499 1.00 0.00 C ATOM 776 C ALA A 50 11.443 -7.534 0.192 1.00 0.00 C ATOM 777 O ALA A 50 11.516 -6.356 -0.086 1.00 0.00 O ATOM 778 CB ALA A 50 11.906 -8.514 2.433 1.00 0.00 C ATOM 0 H ALA A 50 10.110 -9.989 1.630 1.00 0.00 H new ATOM 0 HA ALA A 50 10.285 -7.145 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.628 -7.721 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.461 -8.836 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.411 -9.358 1.963 1.00 0.00 H new ATOM 784 N ASP A 51 11.891 -8.481 -0.591 1.00 0.00 N ATOM 785 CA ASP A 51 12.521 -8.121 -1.879 1.00 0.00 C ATOM 786 C ASP A 51 11.560 -7.320 -2.743 1.00 0.00 C ATOM 787 O ASP A 51 11.966 -6.647 -3.667 1.00 0.00 O ATOM 788 CB ASP A 51 12.891 -9.414 -2.622 1.00 0.00 C ATOM 789 CG ASP A 51 13.493 -9.059 -3.985 1.00 0.00 C ATOM 790 OD1 ASP A 51 14.548 -8.447 -3.968 1.00 0.00 O ATOM 791 OD2 ASP A 51 12.864 -9.422 -4.967 1.00 0.00 O ATOM 0 H ASP A 51 11.845 -9.480 -0.389 1.00 0.00 H new ATOM 0 HA ASP A 51 13.407 -7.516 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.605 -9.993 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.007 -10.038 -2.753 1.00 0.00 H new ATOM 796 N ASP A 52 10.296 -7.417 -2.434 1.00 0.00 N ATOM 797 CA ASP A 52 9.282 -6.667 -3.224 1.00 0.00 C ATOM 798 C ASP A 52 9.127 -5.247 -2.687 1.00 0.00 C ATOM 799 O ASP A 52 8.572 -4.387 -3.342 1.00 0.00 O ATOM 800 CB ASP A 52 7.941 -7.401 -3.088 1.00 0.00 C ATOM 801 CG ASP A 52 7.925 -8.612 -4.025 1.00 0.00 C ATOM 802 OD1 ASP A 52 9.001 -8.949 -4.491 1.00 0.00 O ATOM 803 OD2 ASP A 52 6.839 -9.130 -4.222 1.00 0.00 O ATOM 0 H ASP A 52 9.923 -7.982 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 52 9.597 -6.612 -4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.793 -7.723 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.119 -6.728 -3.332 1.00 0.00 H new ATOM 808 N LYS A 53 9.608 -5.034 -1.490 1.00 0.00 N ATOM 809 CA LYS A 53 9.506 -3.684 -0.881 1.00 0.00 C ATOM 810 C LYS A 53 10.662 -2.810 -1.350 1.00 0.00 C ATOM 811 O LYS A 53 10.660 -1.608 -1.173 1.00 0.00 O ATOM 812 CB LYS A 53 9.588 -3.848 0.642 1.00 0.00 C ATOM 813 CG LYS A 53 8.255 -4.409 1.152 1.00 0.00 C ATOM 814 CD LYS A 53 8.305 -4.537 2.677 1.00 0.00 C ATOM 815 CE LYS A 53 7.002 -5.179 3.168 1.00 0.00 C ATOM 816 NZ LYS A 53 6.849 -4.998 4.640 1.00 0.00 N ATOM 0 H LYS A 53 10.066 -5.739 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 53 8.568 -3.213 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.405 -4.519 0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.799 -2.888 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.436 -3.753 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.061 -5.382 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.160 -5.144 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.436 -3.556 3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.153 -4.732 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.000 -6.242 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.357 -5.821 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.788 -4.908 5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.296 -4.138 4.828 1.00 0.00 H new ATOM 830 N GLN A 54 11.631 -3.447 -1.941 1.00 0.00 N ATOM 831 CA GLN A 54 12.811 -2.717 -2.443 1.00 0.00 C ATOM 832 C GLN A 54 12.430 -1.459 -3.297 1.00 0.00 C ATOM 833 O GLN A 54 12.854 -0.373 -2.998 1.00 0.00 O ATOM 834 CB GLN A 54 13.653 -3.714 -3.295 1.00 0.00 C ATOM 835 CG GLN A 54 14.894 -4.167 -2.503 1.00 0.00 C ATOM 836 CD GLN A 54 15.732 -5.112 -3.367 1.00 0.00 C ATOM 837 OE1 GLN A 54 16.126 -4.779 -4.468 1.00 0.00 O ATOM 838 NE2 GLN A 54 16.027 -6.298 -2.909 1.00 0.00 N ATOM 0 H GLN A 54 11.650 -4.455 -2.097 1.00 0.00 H new ATOM 0 HA GLN A 54 13.380 -2.341 -1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.046 -4.579 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.960 -3.240 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.488 -3.301 -2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.590 -4.670 -1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.700 -6.584 -1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.585 -6.939 -3.474 1.00 0.00 H new ATOM 847 N PRO A 55 11.646 -1.629 -4.357 1.00 0.00 N ATOM 848 CA PRO A 55 11.262 -0.486 -5.187 1.00 0.00 C ATOM 849 C PRO A 55 10.739 0.683 -4.361 1.00 0.00 C ATOM 850 O PRO A 55 11.051 1.828 -4.626 1.00 0.00 O ATOM 851 CB PRO A 55 10.128 -1.029 -6.108 1.00 0.00 C ATOM 852 CG PRO A 55 10.091 -2.584 -5.924 1.00 0.00 C ATOM 853 CD PRO A 55 11.095 -2.930 -4.793 1.00 0.00 C ATOM 0 HA PRO A 55 12.121 -0.101 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.169 -0.586 -5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.319 -0.769 -7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.087 -2.918 -5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.365 -3.089 -6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.600 -3.444 -3.970 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.883 -3.591 -5.154 1.00 0.00 H new ATOM 861 N TYR A 56 9.963 0.372 -3.390 1.00 0.00 N ATOM 862 CA TYR A 56 9.405 1.448 -2.535 1.00 0.00 C ATOM 863 C TYR A 56 10.453 2.085 -1.636 1.00 0.00 C ATOM 864 O TYR A 56 10.679 3.276 -1.709 1.00 0.00 O ATOM 865 CB TYR A 56 8.305 0.852 -1.675 1.00 0.00 C ATOM 866 CG TYR A 56 7.151 0.456 -2.579 1.00 0.00 C ATOM 867 CD1 TYR A 56 6.357 1.422 -3.132 1.00 0.00 C ATOM 868 CD2 TYR A 56 6.876 -0.865 -2.828 1.00 0.00 C ATOM 869 CE1 TYR A 56 5.287 1.084 -3.922 1.00 0.00 C ATOM 870 CE2 TYR A 56 5.803 -1.220 -3.619 1.00 0.00 C ATOM 871 CZ TYR A 56 4.997 -0.243 -4.177 1.00 0.00 C ATOM 872 OH TYR A 56 3.929 -0.588 -4.977 1.00 0.00 O ATOM 0 H TYR A 56 9.684 -0.577 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 56 9.022 2.233 -3.188 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.677 -0.017 -1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.972 1.575 -0.930 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.574 2.463 -2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.504 -1.633 -2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.668 1.860 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.591 -2.263 -3.803 1.00 0.00 H new ATOM 0 HH TYR A 56 3.875 -1.564 -5.048 1.00 0.00 H new ATOM 882 N GLU A 57 11.083 1.300 -0.803 1.00 0.00 N ATOM 883 CA GLU A 57 12.109 1.904 0.084 1.00 0.00 C ATOM 884 C GLU A 57 13.150 2.591 -0.772 1.00 0.00 C ATOM 885 O GLU A 57 13.577 3.694 -0.497 1.00 0.00 O ATOM 886 CB GLU A 57 12.758 0.782 0.944 1.00 0.00 C ATOM 887 CG GLU A 57 13.797 0.011 0.137 1.00 0.00 C ATOM 888 CD GLU A 57 14.218 -1.246 0.903 1.00 0.00 C ATOM 889 OE1 GLU A 57 13.601 -1.491 1.927 1.00 0.00 O ATOM 890 OE2 GLU A 57 15.132 -1.892 0.418 1.00 0.00 O ATOM 0 H GLU A 57 10.936 0.296 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 57 11.657 2.639 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.227 1.219 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.987 0.098 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.386 -0.264 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.666 0.641 -0.052 1.00 0.00 H new ATOM 897 N LYS A 58 13.524 1.906 -1.791 1.00 0.00 N ATOM 898 CA LYS A 58 14.531 2.442 -2.724 1.00 0.00 C ATOM 899 C LYS A 58 14.084 3.810 -3.217 1.00 0.00 C ATOM 900 O LYS A 58 14.890 4.697 -3.416 1.00 0.00 O ATOM 901 CB LYS A 58 14.633 1.456 -3.924 1.00 0.00 C ATOM 902 CG LYS A 58 15.641 1.968 -4.977 1.00 0.00 C ATOM 903 CD LYS A 58 17.072 1.870 -4.427 1.00 0.00 C ATOM 904 CE LYS A 58 18.064 1.964 -5.595 1.00 0.00 C ATOM 905 NZ LYS A 58 17.963 0.755 -6.465 1.00 0.00 N ATOM 0 H LYS A 58 13.170 0.978 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 58 15.499 2.546 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.942 0.474 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.652 1.334 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.553 1.381 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.413 3.001 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.256 2.671 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.207 0.929 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.860 2.860 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.080 2.059 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.874 0.592 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.723 -0.073 -5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.222 0.902 -7.179 1.00 0.00 H new ATOM 919 N LYS A 59 12.798 3.956 -3.403 1.00 0.00 N ATOM 920 CA LYS A 59 12.279 5.243 -3.875 1.00 0.00 C ATOM 921 C LYS A 59 12.581 6.320 -2.854 1.00 0.00 C ATOM 922 O LYS A 59 13.146 7.348 -3.167 1.00 0.00 O ATOM 923 CB LYS A 59 10.740 5.109 -4.041 1.00 0.00 C ATOM 924 CG LYS A 59 10.201 6.199 -5.039 1.00 0.00 C ATOM 925 CD LYS A 59 9.778 5.542 -6.370 1.00 0.00 C ATOM 926 CE LYS A 59 11.012 4.966 -7.073 1.00 0.00 C ATOM 927 NZ LYS A 59 10.716 4.709 -8.510 1.00 0.00 N ATOM 0 H LYS A 59 12.097 3.232 -3.245 1.00 0.00 H new ATOM 0 HA LYS A 59 12.745 5.513 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.493 4.114 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.252 5.220 -3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.352 6.720 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.972 6.947 -5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.052 4.751 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.291 6.277 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.847 5.662 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.317 4.040 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.561 4.319 -8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.933 4.028 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.447 5.600 -8.974 1.00 0.00 H new ATOM 941 N ALA A 60 12.190 6.062 -1.646 1.00 0.00 N ATOM 942 CA ALA A 60 12.438 7.044 -0.585 1.00 0.00 C ATOM 943 C ALA A 60 13.931 7.331 -0.461 1.00 0.00 C ATOM 944 O ALA A 60 14.330 8.463 -0.297 1.00 0.00 O ATOM 945 CB ALA A 60 11.928 6.461 0.747 1.00 0.00 C ATOM 0 H ALA A 60 11.710 5.211 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 60 11.921 7.973 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.104 7.178 1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.860 6.258 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.459 5.534 0.966 1.00 0.00 H new