USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 SER OG : rot 1:sc= -0.388 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -173:sc=-0.00212 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= -1.4 (180deg=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 0.499 (180deg=0.379) USER MOD Single : A 26 SER OG : rot -84:sc=-0.00809 USER MOD Single : A 27 CYS SG : rot -91:sc= -2.96! USER MOD Single : A 28 GLN : amide:sc= 0.504 K(o=0.5,f=0) USER MOD Single : A 29 THR OG1 : rot -20:sc= 0.377 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 1:sc= 1.25 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 154:sc= 0.239 USER MOD Single : A 56 SER OG : rot 140:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -51:sc= 0.00375 USER MOD ----------------------------------------------------------------- ATOM 206 N TYR A 13 12.788 -1.325 -1.090 1.00 0.00 N ATOM 207 CA TYR A 13 12.044 -1.472 -2.341 1.00 0.00 C ATOM 208 C TYR A 13 11.280 -2.816 -2.417 1.00 0.00 C ATOM 209 O TYR A 13 10.251 -2.902 -3.087 1.00 0.00 O ATOM 210 CB TYR A 13 13.055 -1.253 -3.475 1.00 0.00 C ATOM 211 CG TYR A 13 13.718 0.128 -3.510 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.185 1.205 -2.776 1.00 0.00 C ATOM 213 CD2 TYR A 13 14.895 0.337 -4.252 1.00 0.00 C ATOM 214 CE1 TYR A 13 13.795 2.467 -2.757 1.00 0.00 C ATOM 215 CE2 TYR A 13 15.515 1.605 -4.248 1.00 0.00 C ATOM 216 CZ TYR A 13 14.975 2.668 -3.499 1.00 0.00 C ATOM 217 OH TYR A 13 15.606 3.878 -3.479 1.00 0.00 O ATOM 0 HA TYR A 13 11.247 -0.733 -2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 13 13.835 -2.010 -3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.549 -1.418 -4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.278 1.054 -2.210 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.324 -0.472 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.366 3.274 -2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.414 1.762 -4.826 1.00 0.00 H new ATOM 0 HH TYR A 13 16.405 3.840 -4.046 1.00 0.00 H new ATOM 227 N GLU A 14 11.700 -3.816 -1.624 1.00 0.00 N ATOM 228 CA GLU A 14 10.845 -4.940 -1.167 1.00 0.00 C ATOM 229 C GLU A 14 9.778 -4.483 -0.174 1.00 0.00 C ATOM 230 O GLU A 14 8.596 -4.806 -0.312 1.00 0.00 O ATOM 231 CB GLU A 14 11.655 -6.019 -0.450 1.00 0.00 C ATOM 232 CG GLU A 14 12.708 -6.721 -1.296 1.00 0.00 C ATOM 233 CD GLU A 14 12.067 -7.655 -2.313 1.00 0.00 C ATOM 234 OE1 GLU A 14 11.609 -8.750 -1.915 1.00 0.00 O ATOM 235 OE2 GLU A 14 12.047 -7.313 -3.516 1.00 0.00 O ATOM 0 H GLU A 14 12.656 -3.873 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 14 10.388 -5.332 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.148 -5.566 0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.965 -6.769 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.316 -5.979 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.378 -7.288 -0.650 1.00 0.00 H new ATOM 242 N ALA A 15 10.201 -3.671 0.802 1.00 0.00 N ATOM 243 CA ALA A 15 9.391 -3.205 1.933 1.00 0.00 C ATOM 244 C ALA A 15 8.052 -2.572 1.508 1.00 0.00 C ATOM 245 O ALA A 15 7.002 -2.733 2.129 1.00 0.00 O ATOM 246 CB ALA A 15 10.175 -2.102 2.644 1.00 0.00 C ATOM 0 H ALA A 15 11.153 -3.307 0.826 1.00 0.00 H new ATOM 0 HA ALA A 15 9.182 -4.076 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.598 -1.734 3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.125 -2.501 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.362 -1.283 1.949 1.00 0.00 H new ATOM 252 N SER A 16 8.150 -1.844 0.398 1.00 0.00 N ATOM 253 CA SER A 16 7.120 -1.055 -0.249 1.00 0.00 C ATOM 254 C SER A 16 5.875 -1.858 -0.683 1.00 0.00 C ATOM 255 O SER A 16 4.782 -1.312 -0.808 1.00 0.00 O ATOM 256 CB SER A 16 7.807 -0.490 -1.498 1.00 0.00 C ATOM 257 OG SER A 16 8.407 0.755 -1.237 1.00 0.00 O ATOM 0 H SER A 16 9.032 -1.791 -0.111 1.00 0.00 H new ATOM 0 HA SER A 16 6.742 -0.308 0.449 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.563 -1.193 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.076 -0.382 -2.299 1.00 0.00 H new ATOM 0 HG SER A 16 8.269 0.994 -0.297 1.00 0.00 H new ATOM 263 N ILE A 17 6.053 -3.161 -0.926 1.00 0.00 N ATOM 264 CA ILE A 17 5.061 -4.074 -1.538 1.00 0.00 C ATOM 265 C ILE A 17 4.654 -5.221 -0.583 1.00 0.00 C ATOM 266 O ILE A 17 3.506 -5.662 -0.595 1.00 0.00 O ATOM 267 CB ILE A 17 5.657 -4.592 -2.880 1.00 0.00 C ATOM 268 CG1 ILE A 17 5.275 -3.678 -4.076 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.322 -6.061 -3.209 1.00 0.00 C ATOM 270 CD1 ILE A 17 6.014 -2.334 -4.055 1.00 0.00 C ATOM 0 H ILE A 17 6.926 -3.635 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 17 4.134 -3.537 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 17 6.735 -4.552 -2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.498 -4.196 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.200 -3.497 -4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.778 -6.334 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.710 -6.708 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.241 -6.181 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.708 -1.737 -4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.771 -1.800 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.089 -2.509 -4.100 1.00 0.00 H new ATOM 282 N ASP A 18 5.586 -5.654 0.269 1.00 0.00 N ATOM 283 CA ASP A 18 5.587 -6.905 1.062 1.00 0.00 C ATOM 284 C ASP A 18 4.339 -7.134 1.929 1.00 0.00 C ATOM 285 O ASP A 18 3.863 -8.265 2.050 1.00 0.00 O ATOM 286 CB ASP A 18 6.861 -6.944 1.930 1.00 0.00 C ATOM 287 CG ASP A 18 6.972 -8.214 2.796 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.317 -9.293 2.251 1.00 0.00 O ATOM 289 OD2 ASP A 18 6.734 -8.129 4.025 1.00 0.00 O ATOM 0 H ASP A 18 6.427 -5.104 0.442 1.00 0.00 H new ATOM 0 HA ASP A 18 5.571 -7.722 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.735 -6.877 1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.877 -6.068 2.579 1.00 0.00 H new ATOM 294 N GLU A 19 3.761 -6.049 2.449 1.00 0.00 N ATOM 295 CA GLU A 19 2.420 -6.033 3.081 1.00 0.00 C ATOM 296 C GLU A 19 1.403 -5.222 2.290 1.00 0.00 C ATOM 297 O GLU A 19 0.274 -5.666 2.125 1.00 0.00 O ATOM 298 CB GLU A 19 2.471 -5.510 4.523 1.00 0.00 C ATOM 299 CG GLU A 19 3.283 -6.424 5.431 1.00 0.00 C ATOM 300 CD GLU A 19 3.170 -5.955 6.870 1.00 0.00 C ATOM 301 OE1 GLU A 19 3.977 -5.095 7.284 1.00 0.00 O ATOM 302 OE2 GLU A 19 2.284 -6.455 7.596 1.00 0.00 O ATOM 0 H GLU A 19 4.212 -5.134 2.448 1.00 0.00 H new ATOM 0 HA GLU A 19 2.095 -7.073 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.906 -4.511 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.457 -5.420 4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.924 -7.450 5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.328 -6.425 5.121 1.00 0.00 H new ATOM 309 N PHE A 20 1.789 -4.070 1.736 1.00 0.00 N ATOM 310 CA PHE A 20 0.892 -3.126 1.053 1.00 0.00 C ATOM 311 C PHE A 20 0.127 -3.743 -0.135 1.00 0.00 C ATOM 312 O PHE A 20 -1.089 -3.669 -0.212 1.00 0.00 O ATOM 313 CB PHE A 20 1.729 -1.923 0.557 1.00 0.00 C ATOM 314 CG PHE A 20 1.068 -0.593 0.777 1.00 0.00 C ATOM 315 CD1 PHE A 20 -0.203 -0.360 0.229 1.00 0.00 C ATOM 316 CD2 PHE A 20 1.770 0.434 1.433 1.00 0.00 C ATOM 317 CE1 PHE A 20 -0.763 0.915 0.314 1.00 0.00 C ATOM 318 CE2 PHE A 20 1.200 1.716 1.505 1.00 0.00 C ATOM 319 CZ PHE A 20 -0.057 1.960 0.932 1.00 0.00 C ATOM 0 H PHE A 20 2.760 -3.757 1.749 1.00 0.00 H new ATOM 0 HA PHE A 20 0.136 -2.821 1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.693 -1.928 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.930 -2.047 -0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.743 -1.161 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.736 0.239 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.744 1.099 -0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.730 2.515 2.002 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.482 2.952 0.966 1.00 0.00 H new ATOM 329 N MET A 21 0.801 -4.440 -1.032 1.00 0.00 N ATOM 330 CA MET A 21 0.145 -5.111 -2.173 1.00 0.00 C ATOM 331 C MET A 21 -0.873 -6.171 -1.738 1.00 0.00 C ATOM 332 O MET A 21 -1.893 -6.388 -2.393 1.00 0.00 O ATOM 333 CB MET A 21 1.170 -5.791 -3.098 1.00 0.00 C ATOM 334 CG MET A 21 1.844 -4.820 -4.069 1.00 0.00 C ATOM 335 SD MET A 21 1.089 -4.707 -5.716 1.00 0.00 S ATOM 336 CE MET A 21 -0.638 -4.462 -5.270 1.00 0.00 C ATOM 0 H MET A 21 1.813 -4.565 -1.003 1.00 0.00 H new ATOM 0 HA MET A 21 -0.377 -4.316 -2.706 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.934 -6.275 -2.489 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.672 -6.576 -3.667 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.844 -3.827 -3.620 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.886 -5.117 -4.186 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.239 -4.373 -6.175 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.987 -5.313 -4.685 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.736 -3.551 -4.679 1.00 0.00 H new ATOM 346 N GLY A 22 -0.636 -6.770 -0.578 1.00 0.00 N ATOM 347 CA GLY A 22 -1.576 -7.631 0.110 1.00 0.00 C ATOM 348 C GLY A 22 -2.723 -6.847 0.741 1.00 0.00 C ATOM 349 O GLY A 22 -3.858 -7.288 0.673 1.00 0.00 O ATOM 0 H GLY A 22 0.246 -6.663 -0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.980 -8.360 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.052 -8.192 0.884 1.00 0.00 H new ATOM 353 N LYS A 23 -2.455 -5.671 1.316 1.00 0.00 N ATOM 354 CA LYS A 23 -3.378 -4.751 1.920 1.00 0.00 C ATOM 355 C LYS A 23 -4.400 -4.289 0.866 1.00 0.00 C ATOM 356 O LYS A 23 -5.609 -4.339 1.104 1.00 0.00 O ATOM 357 CB LYS A 23 -2.577 -3.790 2.812 1.00 0.00 C ATOM 358 CG LYS A 23 -2.466 -2.361 2.353 1.00 0.00 C ATOM 359 CD LYS A 23 -1.625 -1.565 3.367 1.00 0.00 C ATOM 360 CE LYS A 23 -2.419 -1.297 4.648 1.00 0.00 C ATOM 361 NZ LYS A 23 -1.568 -1.179 5.855 1.00 0.00 N ATOM 0 H LYS A 23 -1.497 -5.323 1.366 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.078 -5.150 2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.029 -3.793 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.569 -4.190 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.004 -2.319 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.458 -1.919 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.717 -2.119 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.313 -0.619 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.992 -0.378 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.137 -2.103 4.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.163 -1.236 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.872 -1.952 5.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.071 -0.266 5.841 1.00 0.00 H new ATOM 375 N ILE A 24 -3.911 -3.985 -0.345 1.00 0.00 N ATOM 376 CA ILE A 24 -4.733 -3.701 -1.537 1.00 0.00 C ATOM 377 C ILE A 24 -5.566 -4.926 -1.860 1.00 0.00 C ATOM 378 O ILE A 24 -6.789 -4.879 -1.980 1.00 0.00 O ATOM 379 CB ILE A 24 -3.870 -3.503 -2.839 1.00 0.00 C ATOM 380 CG1 ILE A 24 -2.874 -2.354 -2.797 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.817 -3.430 -4.052 1.00 0.00 C ATOM 382 CD1 ILE A 24 -3.598 -1.117 -2.406 1.00 0.00 C ATOM 0 H ILE A 24 -2.910 -3.928 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.303 -2.803 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.218 -4.372 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.078 -2.569 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.403 -2.225 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.233 -3.293 -4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.388 -4.355 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.501 -2.590 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.899 -0.282 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.379 -0.906 -3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.049 -1.254 -1.423 1.00 0.00 H new ATOM 394 N ALA A 25 -4.866 -6.042 -2.010 1.00 0.00 N ATOM 395 CA ALA A 25 -5.458 -7.206 -2.644 1.00 0.00 C ATOM 396 C ALA A 25 -6.516 -7.846 -1.728 1.00 0.00 C ATOM 397 O ALA A 25 -7.424 -8.550 -2.175 1.00 0.00 O ATOM 398 CB ALA A 25 -4.378 -8.204 -3.065 1.00 0.00 C ATOM 0 H ALA A 25 -3.900 -6.163 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.969 -6.886 -3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.845 -9.068 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.698 -7.728 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.820 -8.529 -2.187 1.00 0.00 H new ATOM 404 N SER A 26 -6.383 -7.554 -0.435 1.00 0.00 N ATOM 405 CA SER A 26 -7.195 -8.033 0.667 1.00 0.00 C ATOM 406 C SER A 26 -8.126 -6.961 1.254 1.00 0.00 C ATOM 407 O SER A 26 -8.606 -7.108 2.378 1.00 0.00 O ATOM 408 CB SER A 26 -6.324 -8.717 1.740 1.00 0.00 C ATOM 409 OG SER A 26 -6.016 -7.833 2.808 1.00 0.00 O ATOM 0 H SER A 26 -5.646 -6.927 -0.113 1.00 0.00 H new ATOM 0 HA SER A 26 -7.865 -8.788 0.256 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.846 -9.591 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.400 -9.074 1.285 1.00 0.00 H new ATOM 0 HG SER A 26 -5.241 -7.285 2.566 1.00 0.00 H new ATOM 415 N CYS A 27 -8.301 -5.817 0.581 1.00 0.00 N ATOM 416 CA CYS A 27 -8.955 -4.652 1.156 1.00 0.00 C ATOM 417 C CYS A 27 -10.466 -4.905 1.438 1.00 0.00 C ATOM 418 O CYS A 27 -11.106 -4.235 2.246 1.00 0.00 O ATOM 419 CB CYS A 27 -8.762 -3.473 0.200 1.00 0.00 C ATOM 420 SG CYS A 27 -9.580 -3.735 -1.373 1.00 0.00 S ATOM 0 H CYS A 27 -7.989 -5.681 -0.381 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.501 -4.430 2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.150 -2.565 0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.697 -3.315 0.032 1.00 0.00 H new ATOM 0 HG CYS A 27 -8.752 -4.294 -2.205 1.00 0.00 H new ATOM 426 N GLN A 28 -11.016 -5.900 0.717 1.00 0.00 N ATOM 427 CA GLN A 28 -12.372 -6.520 0.704 1.00 0.00 C ATOM 428 C GLN A 28 -13.592 -5.601 0.511 1.00 0.00 C ATOM 429 O GLN A 28 -14.722 -6.062 0.343 1.00 0.00 O ATOM 430 CB GLN A 28 -12.578 -7.340 1.992 1.00 0.00 C ATOM 431 CG GLN A 28 -11.618 -8.522 2.122 1.00 0.00 C ATOM 432 CD GLN A 28 -11.473 -8.912 3.579 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.230 -9.712 4.119 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.538 -8.295 4.271 1.00 0.00 N ATOM 0 H GLN A 28 -10.434 -6.364 0.020 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.351 -7.125 -0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.454 -6.685 2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.603 -7.710 2.018 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.990 -9.369 1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.645 -8.258 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.915 -7.632 3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.436 -8.480 5.269 1.00 0.00 H new ATOM 443 N THR A 29 -13.366 -4.300 0.588 1.00 0.00 N ATOM 444 CA THR A 29 -14.372 -3.240 0.711 1.00 0.00 C ATOM 445 C THR A 29 -13.782 -1.983 0.136 1.00 0.00 C ATOM 446 O THR A 29 -12.589 -1.728 0.326 1.00 0.00 O ATOM 447 CB THR A 29 -14.699 -2.946 2.183 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.524 -2.867 2.977 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.625 -3.982 2.823 1.00 0.00 C ATOM 0 H THR A 29 -12.418 -3.925 0.565 1.00 0.00 H new ATOM 0 HA THR A 29 -15.278 -3.559 0.196 1.00 0.00 H new ATOM 0 HB THR A 29 -15.213 -1.985 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.787 -3.319 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.812 -3.710 3.862 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.569 -4.011 2.279 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.154 -4.964 2.784 1.00 0.00 H new ATOM 457 N LEU A 30 -14.577 -1.162 -0.549 1.00 0.00 N ATOM 458 CA LEU A 30 -14.006 0.074 -1.050 1.00 0.00 C ATOM 459 C LEU A 30 -13.761 1.021 0.104 1.00 0.00 C ATOM 460 O LEU A 30 -12.809 1.775 0.158 1.00 0.00 O ATOM 461 CB LEU A 30 -14.924 0.795 -2.003 1.00 0.00 C ATOM 462 CG LEU A 30 -13.977 1.782 -2.701 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.692 1.442 -4.104 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.500 3.157 -2.618 1.00 0.00 C ATOM 0 H LEU A 30 -15.563 -1.320 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.088 -0.202 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.390 0.111 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.730 1.309 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.032 1.710 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.017 2.185 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.226 0.458 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.622 1.431 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.813 3.839 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.476 3.205 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.599 3.446 -1.572 1.00 0.00 H new ATOM 476 N GLU A 31 -14.673 0.953 1.044 1.00 0.00 N ATOM 477 CA GLU A 31 -14.713 1.751 2.226 1.00 0.00 C ATOM 478 C GLU A 31 -13.507 1.501 3.107 1.00 0.00 C ATOM 479 O GLU A 31 -12.971 2.427 3.709 1.00 0.00 O ATOM 480 CB GLU A 31 -16.021 1.327 2.889 1.00 0.00 C ATOM 481 CG GLU A 31 -16.501 2.401 3.809 1.00 0.00 C ATOM 482 CD GLU A 31 -17.728 1.991 4.610 1.00 0.00 C ATOM 483 OE1 GLU A 31 -17.557 1.271 5.622 1.00 0.00 O ATOM 484 OE2 GLU A 31 -18.846 2.417 4.250 1.00 0.00 O ATOM 0 H GLU A 31 -15.451 0.295 0.992 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.678 2.822 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.775 1.125 2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.873 0.401 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.698 2.669 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.735 3.293 3.227 1.00 0.00 H new ATOM 491 N GLY A 32 -13.053 0.251 3.123 1.00 0.00 N ATOM 492 CA GLY A 32 -11.731 -0.116 3.610 1.00 0.00 C ATOM 493 C GLY A 32 -10.574 0.262 2.713 1.00 0.00 C ATOM 494 O GLY A 32 -9.614 0.794 3.221 1.00 0.00 O ATOM 0 H GLY A 32 -13.601 -0.544 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.580 0.351 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.708 -1.194 3.767 1.00 0.00 H new ATOM 498 N LEU A 33 -10.663 0.126 1.404 1.00 0.00 N ATOM 499 CA LEU A 33 -9.623 0.523 0.451 1.00 0.00 C ATOM 500 C LEU A 33 -9.272 2.004 0.533 1.00 0.00 C ATOM 501 O LEU A 33 -8.114 2.378 0.569 1.00 0.00 O ATOM 502 CB LEU A 33 -10.206 0.195 -0.921 1.00 0.00 C ATOM 503 CG LEU A 33 -9.392 0.656 -2.139 1.00 0.00 C ATOM 504 CD1 LEU A 33 -7.902 0.403 -2.102 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.903 -0.103 -3.330 1.00 0.00 C ATOM 0 H LEU A 33 -11.484 -0.276 0.952 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.691 -0.002 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.337 -0.885 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.199 0.641 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.520 1.738 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.447 0.775 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.467 0.918 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.717 -0.668 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.348 0.198 -4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.771 -1.172 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.962 0.114 -3.473 1.00 0.00 H new ATOM 517 N GLU A 34 -10.296 2.810 0.620 1.00 0.00 N ATOM 518 CA GLU A 34 -10.364 4.220 1.001 1.00 0.00 C ATOM 519 C GLU A 34 -9.797 4.543 2.394 1.00 0.00 C ATOM 520 O GLU A 34 -9.261 5.626 2.619 1.00 0.00 O ATOM 521 CB GLU A 34 -11.835 4.585 0.984 1.00 0.00 C ATOM 522 CG GLU A 34 -12.382 4.832 -0.417 1.00 0.00 C ATOM 523 CD GLU A 34 -11.981 6.208 -0.936 1.00 0.00 C ATOM 524 OE1 GLU A 34 -10.834 6.366 -1.408 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.826 7.130 -0.893 1.00 0.00 O ATOM 0 H GLU A 34 -11.228 2.460 0.399 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.751 4.787 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.406 3.783 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.987 5.480 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.011 4.063 -1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.469 4.749 -0.405 1.00 0.00 H new ATOM 532 N GLU A 35 -9.925 3.620 3.355 1.00 0.00 N ATOM 533 CA GLU A 35 -9.202 3.662 4.661 1.00 0.00 C ATOM 534 C GLU A 35 -7.739 3.302 4.509 1.00 0.00 C ATOM 535 O GLU A 35 -6.905 3.938 5.135 1.00 0.00 O ATOM 536 CB GLU A 35 -9.780 2.746 5.756 1.00 0.00 C ATOM 537 CG GLU A 35 -11.174 3.166 6.200 1.00 0.00 C ATOM 538 CD GLU A 35 -11.107 4.124 7.384 1.00 0.00 C ATOM 539 OE1 GLU A 35 -10.984 3.647 8.535 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.197 5.354 7.171 1.00 0.00 O ATOM 0 H GLU A 35 -10.536 2.809 3.260 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.330 4.697 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.815 1.722 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.112 2.751 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.695 3.644 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.753 2.284 6.474 1.00 0.00 H new ATOM 547 N LEU A 36 -7.409 2.342 3.635 1.00 0.00 N ATOM 548 CA LEU A 36 -6.044 2.080 3.175 1.00 0.00 C ATOM 549 C LEU A 36 -5.490 3.318 2.450 1.00 0.00 C ATOM 550 O LEU A 36 -4.326 3.650 2.608 1.00 0.00 O ATOM 551 CB LEU A 36 -5.820 0.828 2.303 1.00 0.00 C ATOM 552 CG LEU A 36 -6.576 -0.428 2.698 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.461 -1.472 1.600 1.00 0.00 C ATOM 554 CD2 LEU A 36 -5.999 -0.983 3.971 1.00 0.00 C ATOM 0 H LEU A 36 -8.099 1.715 3.221 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.501 1.861 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.089 1.077 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.755 0.598 2.307 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.626 -0.177 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.006 -2.369 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.882 -1.076 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.411 -1.721 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.542 -1.885 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.947 -1.226 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.089 -0.241 4.765 1.00 0.00 H new ATOM 566 N GLU A 37 -6.330 4.027 1.689 1.00 0.00 N ATOM 567 CA GLU A 37 -6.012 5.252 0.978 1.00 0.00 C ATOM 568 C GLU A 37 -5.731 6.409 1.895 1.00 0.00 C ATOM 569 O GLU A 37 -4.790 7.173 1.691 1.00 0.00 O ATOM 570 CB GLU A 37 -7.145 5.662 0.050 1.00 0.00 C ATOM 571 CG GLU A 37 -6.688 6.423 -1.199 1.00 0.00 C ATOM 572 CD GLU A 37 -6.582 7.940 -1.042 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.340 8.544 -0.258 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.759 8.527 -1.778 1.00 0.00 O ATOM 0 H GLU A 37 -7.299 3.740 1.551 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.110 5.025 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.687 4.769 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.847 6.284 0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.715 6.038 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.383 6.207 -2.010 1.00 0.00 H new ATOM 581 N ALA A 38 -6.517 6.498 2.960 1.00 0.00 N ATOM 582 CA ALA A 38 -6.215 7.413 4.024 1.00 0.00 C ATOM 583 C ALA A 38 -4.930 6.978 4.750 1.00 0.00 C ATOM 584 O ALA A 38 -4.028 7.790 4.931 1.00 0.00 O ATOM 585 CB ALA A 38 -7.403 7.514 4.983 1.00 0.00 C ATOM 0 H ALA A 38 -7.363 5.945 3.099 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.039 8.405 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.164 8.211 5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.279 7.872 4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.614 6.532 5.405 1.00 0.00 H new ATOM 591 N TYR A 39 -4.775 5.690 5.092 1.00 0.00 N ATOM 592 CA TYR A 39 -3.601 5.181 5.815 1.00 0.00 C ATOM 593 C TYR A 39 -2.304 5.365 4.986 1.00 0.00 C ATOM 594 O TYR A 39 -1.243 5.671 5.535 1.00 0.00 O ATOM 595 CB TYR A 39 -3.778 3.695 6.219 1.00 0.00 C ATOM 596 CG TYR A 39 -2.504 2.873 6.064 1.00 0.00 C ATOM 597 CD1 TYR A 39 -1.507 2.895 7.059 1.00 0.00 C ATOM 598 CD2 TYR A 39 -2.231 2.289 4.818 1.00 0.00 C ATOM 599 CE1 TYR A 39 -0.222 2.384 6.771 1.00 0.00 C ATOM 600 CE2 TYR A 39 -0.940 1.832 4.518 1.00 0.00 C ATOM 601 CZ TYR A 39 0.071 1.883 5.490 1.00 0.00 C ATOM 602 OH TYR A 39 1.317 1.417 5.193 1.00 0.00 O ATOM 0 H TYR A 39 -5.464 4.970 4.874 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.510 5.769 6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.111 3.645 7.256 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.565 3.251 5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.724 3.300 8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.019 2.191 4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.539 2.378 7.538 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.723 1.439 3.536 1.00 0.00 H new ATOM 0 HH TYR A 39 1.338 1.109 4.263 1.00 0.00 H new ATOM 612 N TYR A 40 -2.419 5.278 3.659 1.00 0.00 N ATOM 613 CA TYR A 40 -1.372 5.574 2.692 1.00 0.00 C ATOM 614 C TYR A 40 -0.972 7.019 2.908 1.00 0.00 C ATOM 615 O TYR A 40 0.155 7.284 3.320 1.00 0.00 O ATOM 616 CB TYR A 40 -1.963 5.382 1.277 1.00 0.00 C ATOM 617 CG TYR A 40 -1.297 6.145 0.150 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.046 5.924 -0.216 1.00 0.00 C ATOM 619 CD2 TYR A 40 -2.037 7.149 -0.497 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.627 6.710 -1.233 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.422 7.986 -1.434 1.00 0.00 C ATOM 622 CZ TYR A 40 -0.097 7.756 -1.821 1.00 0.00 C ATOM 623 OH TYR A 40 0.460 8.563 -2.766 1.00 0.00 O ATOM 0 H TYR A 40 -3.288 4.985 3.213 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.504 4.925 2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.928 4.320 1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.014 5.668 1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.626 5.159 0.278 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.085 7.275 -0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.635 6.505 -1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.972 8.812 -1.860 1.00 0.00 H new ATOM 0 HH TYR A 40 1.380 8.274 -2.942 1.00 0.00 H new ATOM 633 N LYS A 41 -1.923 7.952 2.828 1.00 0.00 N ATOM 634 CA LYS A 41 -1.606 9.372 3.004 1.00 0.00 C ATOM 635 C LYS A 41 -0.987 9.669 4.390 1.00 0.00 C ATOM 636 O LYS A 41 0.009 10.382 4.469 1.00 0.00 O ATOM 637 CB LYS A 41 -2.852 10.212 2.793 1.00 0.00 C ATOM 638 CG LYS A 41 -3.438 9.980 1.399 1.00 0.00 C ATOM 639 CD LYS A 41 -3.299 11.160 0.444 1.00 0.00 C ATOM 640 CE LYS A 41 -1.828 11.381 0.102 1.00 0.00 C ATOM 641 NZ LYS A 41 -1.306 12.669 0.624 1.00 0.00 N ATOM 0 H LYS A 41 -2.907 7.755 2.645 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.858 9.634 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.595 9.963 3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.610 11.267 2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.951 9.112 0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.495 9.735 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.869 10.972 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.714 12.059 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.237 10.562 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.703 11.355 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.304 12.768 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.850 13.455 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.398 12.687 1.660 1.00 0.00 H new ATOM 655 N LYS A 42 -1.514 9.048 5.454 1.00 0.00 N ATOM 656 CA LYS A 42 -1.209 9.196 6.861 1.00 0.00 C ATOM 657 C LYS A 42 0.194 8.709 7.241 1.00 0.00 C ATOM 658 O LYS A 42 0.820 9.300 8.113 1.00 0.00 O ATOM 659 CB LYS A 42 -2.275 8.333 7.561 1.00 0.00 C ATOM 660 CG LYS A 42 -3.671 8.945 7.628 1.00 0.00 C ATOM 661 CD LYS A 42 -3.841 10.012 8.701 1.00 0.00 C ATOM 662 CE LYS A 42 -5.274 10.530 8.530 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.490 11.831 9.196 1.00 0.00 N ATOM 0 H LYS A 42 -2.248 8.352 5.320 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.222 10.247 7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.341 7.376 7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.939 8.124 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.910 9.382 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.395 8.150 7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.689 9.596 9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.115 10.815 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.497 10.628 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.972 9.798 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.473 12.137 9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.305 11.734 10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.844 12.539 8.792 1.00 0.00 H new ATOM 677 N ARG A 43 0.708 7.642 6.618 1.00 0.00 N ATOM 678 CA ARG A 43 2.149 7.385 6.620 1.00 0.00 C ATOM 679 C ARG A 43 2.930 8.369 5.775 1.00 0.00 C ATOM 680 O ARG A 43 3.886 8.939 6.261 1.00 0.00 O ATOM 681 CB ARG A 43 2.442 5.932 6.220 1.00 0.00 C ATOM 682 CG ARG A 43 3.900 5.554 6.566 1.00 0.00 C ATOM 683 CD ARG A 43 4.300 4.130 6.154 1.00 0.00 C ATOM 684 NE ARG A 43 4.162 3.906 4.699 1.00 0.00 N ATOM 685 CZ ARG A 43 5.056 3.413 3.854 1.00 0.00 C ATOM 686 NH1 ARG A 43 6.239 2.999 4.206 1.00 0.00 N ATOM 687 NH2 ARG A 43 4.772 3.326 2.591 1.00 0.00 N ATOM 0 H ARG A 43 0.154 6.951 6.112 1.00 0.00 H new ATOM 0 HA ARG A 43 2.495 7.536 7.642 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.755 5.262 6.736 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.271 5.802 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.571 6.262 6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.046 5.663 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.332 3.945 6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.680 3.412 6.690 1.00 0.00 H new ATOM 0 HE ARG A 43 3.263 4.164 4.293 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.525 3.044 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.880 2.630 3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.862 3.637 2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.459 2.947 1.939 1.00 0.00 H new ATOM 701 N VAL A 44 2.572 8.622 4.527 1.00 0.00 N ATOM 702 CA VAL A 44 3.386 9.348 3.559 1.00 0.00 C ATOM 703 C VAL A 44 3.754 10.767 3.977 1.00 0.00 C ATOM 704 O VAL A 44 4.833 11.251 3.653 1.00 0.00 O ATOM 705 CB VAL A 44 2.574 9.372 2.273 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.250 10.123 1.155 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.466 7.946 1.756 1.00 0.00 C ATOM 0 H VAL A 44 1.677 8.318 4.144 1.00 0.00 H new ATOM 0 HA VAL A 44 4.346 8.842 3.455 1.00 0.00 H new ATOM 0 HB VAL A 44 1.624 9.846 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.617 10.101 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.414 11.157 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.208 9.655 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.887 7.937 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.464 7.553 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.970 7.325 2.502 1.00 0.00 H new ATOM 802 N LYS A 50 8.748 5.986 -0.568 1.00 0.00 N ATOM 803 CA LYS A 50 9.620 6.342 -1.672 1.00 0.00 C ATOM 804 C LYS A 50 8.770 6.378 -2.959 1.00 0.00 C ATOM 805 O LYS A 50 7.535 6.339 -2.918 1.00 0.00 O ATOM 806 CB LYS A 50 10.802 5.341 -1.684 1.00 0.00 C ATOM 807 CG LYS A 50 10.487 3.904 -2.128 1.00 0.00 C ATOM 808 CD LYS A 50 10.753 2.885 -1.014 1.00 0.00 C ATOM 809 CE LYS A 50 9.849 3.147 0.183 1.00 0.00 C ATOM 810 NZ LYS A 50 9.967 2.158 1.276 1.00 0.00 N ATOM 0 HA LYS A 50 10.064 7.333 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.577 5.738 -2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.224 5.302 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.443 3.841 -2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.092 3.654 -3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.584 1.876 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.797 2.940 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.074 4.136 0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.814 3.169 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.237 2.344 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.839 1.200 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.908 2.234 1.713 1.00 0.00 H new ATOM 824 N ASP A 51 9.402 6.456 -4.130 1.00 0.00 N ATOM 825 CA ASP A 51 8.681 6.285 -5.399 1.00 0.00 C ATOM 826 C ASP A 51 8.053 4.899 -5.564 1.00 0.00 C ATOM 827 O ASP A 51 6.957 4.768 -6.074 1.00 0.00 O ATOM 828 CB ASP A 51 9.594 6.623 -6.580 1.00 0.00 C ATOM 829 CG ASP A 51 10.833 5.716 -6.743 1.00 0.00 C ATOM 830 OD1 ASP A 51 11.744 5.771 -5.882 1.00 0.00 O ATOM 831 OD2 ASP A 51 10.887 4.947 -7.734 1.00 0.00 O ATOM 0 H ASP A 51 10.401 6.634 -4.230 1.00 0.00 H new ATOM 0 HA ASP A 51 7.846 6.986 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.006 6.574 -7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.932 7.654 -6.472 1.00 0.00 H new ATOM 836 N THR A 52 8.734 3.860 -5.114 1.00 0.00 N ATOM 837 CA THR A 52 8.458 2.450 -5.435 1.00 0.00 C ATOM 838 C THR A 52 7.163 1.917 -4.854 1.00 0.00 C ATOM 839 O THR A 52 6.427 1.217 -5.551 1.00 0.00 O ATOM 840 CB THR A 52 9.560 1.617 -4.769 1.00 0.00 C ATOM 841 OG1 THR A 52 10.847 1.991 -5.220 1.00 0.00 O ATOM 842 CG2 THR A 52 9.415 0.104 -4.916 1.00 0.00 C ATOM 0 H THR A 52 9.531 3.969 -4.487 1.00 0.00 H new ATOM 0 HA THR A 52 8.404 2.384 -6.522 1.00 0.00 H new ATOM 0 HB THR A 52 9.440 1.845 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.511 1.773 -4.533 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.244 -0.392 -4.410 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.474 -0.216 -4.470 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.424 -0.161 -5.973 1.00 0.00 H new ATOM 850 N ASP A 53 6.867 2.233 -3.580 1.00 0.00 N ATOM 851 CA ASP A 53 5.566 1.894 -2.998 1.00 0.00 C ATOM 852 C ASP A 53 4.516 2.609 -3.815 1.00 0.00 C ATOM 853 O ASP A 53 3.616 1.973 -4.345 1.00 0.00 O ATOM 854 CB ASP A 53 5.353 2.290 -1.511 1.00 0.00 C ATOM 855 CG ASP A 53 6.487 2.932 -0.717 1.00 0.00 C ATOM 856 OD1 ASP A 53 7.288 3.672 -1.333 1.00 0.00 O ATOM 857 OD2 ASP A 53 6.558 2.710 0.517 1.00 0.00 O ATOM 0 H ASP A 53 7.504 2.715 -2.946 1.00 0.00 H new ATOM 0 HA ASP A 53 5.503 0.806 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.506 2.976 -1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.054 1.388 -0.976 1.00 0.00 H new ATOM 862 N ASP A 54 4.723 3.900 -4.053 1.00 0.00 N ATOM 863 CA ASP A 54 3.652 4.840 -4.401 1.00 0.00 C ATOM 864 C ASP A 54 2.940 4.448 -5.675 1.00 0.00 C ATOM 865 O ASP A 54 1.732 4.442 -5.760 1.00 0.00 O ATOM 866 CB ASP A 54 4.351 6.191 -4.706 1.00 0.00 C ATOM 867 CG ASP A 54 3.400 7.396 -4.859 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.378 7.470 -4.139 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.681 8.274 -5.712 1.00 0.00 O ATOM 0 H ASP A 54 5.646 4.332 -4.010 1.00 0.00 H new ATOM 0 HA ASP A 54 2.930 4.870 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.059 6.405 -3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.929 6.085 -5.624 1.00 0.00 H new ATOM 874 N ILE A 55 3.710 4.077 -6.664 1.00 0.00 N ATOM 875 CA ILE A 55 3.211 3.554 -7.934 1.00 0.00 C ATOM 876 C ILE A 55 2.564 2.199 -7.832 1.00 0.00 C ATOM 877 O ILE A 55 1.473 1.999 -8.358 1.00 0.00 O ATOM 878 CB ILE A 55 4.360 3.319 -8.960 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.758 3.555 -8.391 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.998 4.065 -10.247 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.867 2.790 -9.094 1.00 0.00 C ATOM 0 H ILE A 55 4.728 4.127 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 55 2.496 4.318 -8.241 1.00 0.00 H new ATOM 0 HB ILE A 55 4.438 2.262 -9.214 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.981 4.621 -8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.757 3.280 -7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.786 3.919 -10.986 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.057 3.679 -10.639 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.893 5.129 -10.034 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.823 3.019 -8.623 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.674 1.720 -9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.901 3.081 -10.144 1.00 0.00 H new ATOM 893 N SER A 56 3.231 1.280 -7.129 1.00 0.00 N ATOM 894 CA SER A 56 2.726 -0.083 -7.104 1.00 0.00 C ATOM 895 C SER A 56 1.384 -0.084 -6.415 1.00 0.00 C ATOM 896 O SER A 56 0.377 -0.577 -6.917 1.00 0.00 O ATOM 897 CB SER A 56 3.670 -0.950 -6.270 1.00 0.00 C ATOM 898 OG SER A 56 3.921 -2.184 -6.925 1.00 0.00 O ATOM 0 H SER A 56 4.083 1.448 -6.594 1.00 0.00 H new ATOM 0 HA SER A 56 2.648 -0.465 -8.122 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.609 -0.421 -6.106 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.232 -1.135 -5.289 1.00 0.00 H new ATOM 0 HG SER A 56 4.865 -2.424 -6.820 1.00 0.00 H new ATOM 904 N VAL A 57 1.412 0.557 -5.256 1.00 0.00 N ATOM 905 CA VAL A 57 0.325 0.743 -4.355 1.00 0.00 C ATOM 906 C VAL A 57 -0.771 1.628 -4.824 1.00 0.00 C ATOM 907 O VAL A 57 -1.895 1.188 -4.734 1.00 0.00 O ATOM 908 CB VAL A 57 0.822 1.246 -3.022 1.00 0.00 C ATOM 909 CG1 VAL A 57 1.727 0.269 -2.343 1.00 0.00 C ATOM 910 CG2 VAL A 57 1.147 2.691 -2.791 1.00 0.00 C ATOM 0 H VAL A 57 2.270 0.987 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.116 -0.251 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.129 1.290 -2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.056 0.680 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.191 -0.664 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.595 0.078 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.486 2.828 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.935 3.001 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.257 3.296 -2.963 1.00 0.00 H new ATOM 920 N ARG A 58 -0.509 2.801 -5.396 1.00 0.00 N ATOM 921 CA ARG A 58 -1.613 3.610 -5.903 1.00 0.00 C ATOM 922 C ARG A 58 -2.281 3.013 -7.110 1.00 0.00 C ATOM 923 O ARG A 58 -3.487 3.119 -7.256 1.00 0.00 O ATOM 924 CB ARG A 58 -1.211 5.009 -6.319 1.00 0.00 C ATOM 925 CG ARG A 58 -2.324 5.983 -5.950 1.00 0.00 C ATOM 926 CD ARG A 58 -2.387 6.200 -4.422 1.00 0.00 C ATOM 927 NE ARG A 58 -3.302 7.303 -4.052 1.00 0.00 N ATOM 928 CZ ARG A 58 -3.170 8.603 -4.280 1.00 0.00 C ATOM 929 NH1 ARG A 58 -2.154 9.111 -4.927 1.00 0.00 N ATOM 930 NH2 ARG A 58 -4.068 9.432 -3.829 1.00 0.00 N ATOM 0 H ARG A 58 0.421 3.201 -5.517 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.289 3.642 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.283 5.295 -5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.024 5.042 -7.392 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.157 6.937 -6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.280 5.600 -6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.716 5.280 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.387 6.418 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.148 7.026 -3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.418 8.500 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.097 10.118 -5.077 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.868 9.081 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.971 10.433 -4.002 1.00 0.00 H new ATOM 944 N ASP A 59 -1.495 2.405 -7.983 1.00 0.00 N ATOM 945 CA ASP A 59 -2.055 1.924 -9.251 1.00 0.00 C ATOM 946 C ASP A 59 -2.915 0.678 -9.027 1.00 0.00 C ATOM 947 O ASP A 59 -3.793 0.353 -9.814 1.00 0.00 O ATOM 948 CB ASP A 59 -0.924 1.610 -10.228 1.00 0.00 C ATOM 949 CG ASP A 59 -1.408 1.236 -11.645 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.905 2.122 -12.381 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.262 0.047 -12.032 1.00 0.00 O ATOM 0 H ASP A 59 -0.498 2.233 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.688 2.706 -9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.265 2.476 -10.296 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.330 0.788 -9.829 1.00 0.00 H new ATOM 956 N ALA A 60 -2.562 -0.036 -7.967 1.00 0.00 N ATOM 957 CA ALA A 60 -3.261 -1.071 -7.230 1.00 0.00 C ATOM 958 C ALA A 60 -4.444 -0.587 -6.385 1.00 0.00 C ATOM 959 O ALA A 60 -5.509 -1.182 -6.415 1.00 0.00 O ATOM 960 CB ALA A 60 -2.204 -1.779 -6.393 1.00 0.00 C ATOM 0 H ALA A 60 -1.646 0.125 -7.548 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.743 -1.745 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.672 -2.574 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.447 -2.207 -7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.736 -1.063 -5.717 1.00 0.00 H new ATOM 966 N LEU A 61 -4.286 0.515 -5.647 1.00 0.00 N ATOM 967 CA LEU A 61 -5.335 1.075 -4.800 1.00 0.00 C ATOM 968 C LEU A 61 -6.440 1.610 -5.672 1.00 0.00 C ATOM 969 O LEU A 61 -7.560 1.127 -5.637 1.00 0.00 O ATOM 970 CB LEU A 61 -4.784 2.264 -3.964 1.00 0.00 C ATOM 971 CG LEU A 61 -4.930 2.034 -2.469 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.628 2.035 -1.680 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.843 3.074 -1.851 1.00 0.00 C ATOM 0 H LEU A 61 -3.416 1.047 -5.623 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.697 0.289 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.732 2.418 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.312 3.176 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.348 1.030 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.842 1.863 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.977 1.244 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.132 2.999 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.933 2.889 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.426 4.068 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.828 3.014 -2.313 1.00 0.00 H new ATOM 985 N ALA A 62 -6.030 2.433 -6.623 1.00 0.00 N ATOM 986 CA ALA A 62 -6.837 2.833 -7.767 1.00 0.00 C ATOM 987 C ALA A 62 -7.278 1.663 -8.659 1.00 0.00 C ATOM 988 O ALA A 62 -8.350 1.683 -9.267 1.00 0.00 O ATOM 989 CB ALA A 62 -6.173 3.962 -8.561 1.00 0.00 C ATOM 0 H ALA A 62 -5.101 2.854 -6.622 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.764 3.229 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.805 4.233 -9.407 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.038 4.830 -7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.202 3.628 -8.926 1.00 0.00 H new ATOM 995 N GLY A 63 -6.431 0.639 -8.701 1.00 0.00 N ATOM 996 CA GLY A 63 -6.576 -0.629 -9.392 1.00 0.00 C ATOM 997 C GLY A 63 -7.862 -1.296 -8.951 1.00 0.00 C ATOM 998 O GLY A 63 -8.745 -1.592 -9.752 1.00 0.00 O ATOM 0 H GLY A 63 -5.542 0.685 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.587 -0.469 -10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.725 -1.274 -9.174 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.932 -1.517 -7.640 1.00 0.00 N ATOM 1003 CA LYS A 64 -9.086 -2.001 -6.909 1.00 0.00 C ATOM 1004 C LYS A 64 -10.246 -1.008 -6.803 1.00 0.00 C ATOM 1005 O LYS A 64 -11.385 -1.430 -6.765 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.640 -2.674 -5.607 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.630 -3.790 -5.231 1.00 0.00 C ATOM 1008 CD LYS A 64 -9.199 -5.151 -5.790 1.00 0.00 C ATOM 1009 CE LYS A 64 -10.255 -6.211 -5.460 1.00 0.00 C ATOM 1010 NZ LYS A 64 -9.872 -7.548 -5.974 1.00 0.00 N ATOM 0 H LYS A 64 -7.132 -1.351 -7.029 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.559 -2.782 -7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.639 -3.088 -5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.587 -1.937 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.711 -3.853 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.621 -3.539 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.064 -5.084 -6.870 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.237 -5.440 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.393 -6.263 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.212 -5.917 -5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.611 -8.238 -5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.765 -7.505 -7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.971 -7.840 -5.544 1.00 0.00 H new ATOM 1024 N ARG A 65 -10.003 0.291 -6.700 1.00 0.00 N ATOM 1025 CA ARG A 65 -11.018 1.272 -6.352 1.00 0.00 C ATOM 1026 C ARG A 65 -12.178 1.179 -7.321 1.00 0.00 C ATOM 1027 O ARG A 65 -13.285 0.914 -6.890 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.392 2.663 -6.326 1.00 0.00 C ATOM 1029 CG ARG A 65 -11.013 3.659 -5.336 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.843 4.402 -4.680 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.251 5.647 -4.021 1.00 0.00 N ATOM 1032 CZ ARG A 65 -10.475 6.826 -4.579 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.370 7.055 -5.860 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -10.813 7.817 -3.812 1.00 0.00 N ATOM 0 H ARG A 65 -9.081 0.698 -6.858 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.413 1.069 -5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.333 2.559 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.456 3.088 -7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.676 4.355 -5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.613 3.141 -4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.370 3.748 -3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.093 4.628 -5.438 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.377 5.598 -3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.102 6.301 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.556 7.988 -6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.900 7.676 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.991 8.737 -4.216 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.885 1.153 -8.616 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.916 0.997 -9.646 1.00 0.00 C ATOM 1050 C ALA A 66 -13.718 -0.300 -9.486 1.00 0.00 C ATOM 1051 O ALA A 66 -14.919 -0.339 -9.757 1.00 0.00 O ATOM 1052 CB ALA A 66 -12.290 0.990 -11.027 1.00 0.00 C ATOM 0 H ALA A 66 -10.937 1.238 -8.983 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.592 1.844 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.070 0.873 -11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.764 1.930 -11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.586 0.162 -11.103 1.00 0.00 H new ATOM 1058 N GLU A 67 -13.039 -1.371 -9.061 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.642 -2.688 -8.883 1.00 0.00 C ATOM 1060 C GLU A 67 -14.634 -2.654 -7.747 1.00 0.00 C ATOM 1061 O GLU A 67 -15.728 -3.206 -7.774 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.570 -3.689 -8.466 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.323 -3.642 -9.324 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.528 -4.275 -10.696 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.497 -5.522 -10.777 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.710 -3.536 -11.686 1.00 0.00 O ATOM 0 H GLU A 67 -12.046 -1.343 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.119 -2.967 -9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.293 -3.500 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.990 -4.694 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.012 -2.605 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.513 -4.157 -8.808 1.00 0.00 H new ATOM 1073 N LEU A 68 -14.130 -2.065 -6.674 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.784 -1.891 -5.413 1.00 0.00 C ATOM 1075 C LEU A 68 -15.969 -0.942 -5.404 1.00 0.00 C ATOM 1076 O LEU A 68 -16.885 -1.050 -4.602 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.712 -1.655 -4.406 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.218 -3.004 -3.909 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.123 -2.648 -2.999 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.212 -3.698 -2.976 1.00 0.00 C ATOM 0 H LEU A 68 -13.188 -1.674 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.326 -2.797 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.892 -1.090 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.095 -1.062 -3.576 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.002 -3.644 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.690 -3.556 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.357 -2.101 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.508 -2.023 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.802 -4.656 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.392 -3.070 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.151 -3.864 -3.503 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.865 0.058 -6.266 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.809 1.093 -6.612 1.00 0.00 C ATOM 1094 C GLU A 69 -17.934 0.568 -7.503 1.00 0.00 C ATOM 1095 O GLU A 69 -19.078 1.012 -7.420 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.993 2.133 -7.353 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.574 3.363 -6.552 1.00 0.00 C ATOM 1098 CD GLU A 69 -15.140 4.475 -7.489 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -16.028 5.187 -8.005 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.916 4.652 -7.694 1.00 0.00 O ATOM 0 H GLU A 69 -15.005 0.170 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.297 1.493 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.093 1.652 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.568 2.467 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.404 3.703 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.757 3.106 -5.878 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.594 -0.429 -8.327 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.598 -1.346 -8.895 1.00 0.00 C ATOM 1109 C ASP A 70 -19.196 -2.205 -7.791 1.00 0.00 C ATOM 1110 O ASP A 70 -20.366 -2.588 -7.855 1.00 0.00 O ATOM 1111 CB ASP A 70 -18.011 -2.301 -9.945 1.00 0.00 C ATOM 1112 CG ASP A 70 -19.056 -2.771 -10.977 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -19.442 -1.970 -11.865 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -19.481 -3.951 -10.916 1.00 0.00 O ATOM 0 H ASP A 70 -16.636 -0.624 -8.617 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.348 -0.715 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.192 -1.803 -10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.587 -3.170 -9.442 1.00 0.00 H new ATOM 1119 N SER A 71 -18.398 -2.429 -6.738 1.00 0.00 N ATOM 1120 CA SER A 71 -18.838 -3.211 -5.583 1.00 0.00 C ATOM 1121 C SER A 71 -19.436 -2.328 -4.449 1.00 0.00 C ATOM 1122 O SER A 71 -19.460 -2.709 -3.276 1.00 0.00 O ATOM 1123 CB SER A 71 -17.708 -4.126 -5.082 1.00 0.00 C ATOM 1124 OG SER A 71 -18.224 -5.254 -4.397 1.00 0.00 O ATOM 0 H SER A 71 -17.443 -2.077 -6.666 1.00 0.00 H new ATOM 0 HA SER A 71 -19.657 -3.848 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.103 -4.456 -5.927 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.050 -3.565 -4.419 1.00 0.00 H new ATOM 0 HG SER A 71 -18.862 -4.959 -3.715 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.881 -1.103 -4.791 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.400 -0.087 -3.856 1.00 0.00 C ATOM 1132 C ASP A 72 -21.602 -0.584 -3.013 1.00 0.00 C ATOM 1133 O ASP A 72 -21.840 -0.094 -1.908 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.799 1.181 -4.635 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.416 2.294 -3.757 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.669 2.949 -2.992 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.646 2.548 -3.863 1.00 0.00 O ATOM 0 H ASP A 72 -19.889 -0.783 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.596 0.133 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.917 1.577 -5.139 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.514 0.908 -5.411 1.00 0.00 H new