USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 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 18 HIS : no HE2:sc= 0.587 K(o=1.3,f=-1.7) USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 33 TYR OH : rot 1:sc= 0.681 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 145:sc= -0.305 (180deg=-0.861) USER MOD Single : A 39 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.5!) USER MOD Single : A 41 LYS NZ :NH3+ -151:sc= -0.0486 (180deg=-1.11) USER MOD Single : A 44 ASN : amide:sc= 0.205 K(o=0.2,f=-2.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 80:sc= 1.11 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ARG A 15 3.494 4.090 0.111 1.00 0.00 N ATOM 182 CA ARG A 15 3.337 2.650 0.283 1.00 0.00 C ATOM 183 C ARG A 15 3.943 2.192 1.606 1.00 0.00 C ATOM 184 O ARG A 15 5.031 2.627 1.987 1.00 0.00 O ATOM 185 CB ARG A 15 3.995 1.902 -0.878 1.00 0.00 C ATOM 186 CG ARG A 15 3.281 0.614 -1.254 1.00 0.00 C ATOM 187 CD ARG A 15 3.500 0.263 -2.718 1.00 0.00 C ATOM 188 NE ARG A 15 2.488 0.865 -3.582 1.00 0.00 N ATOM 189 CZ ARG A 15 2.434 0.672 -4.895 1.00 0.00 C ATOM 190 NH1 ARG A 15 3.330 -0.101 -5.492 1.00 0.00 N ATOM 191 NH2 ARG A 15 1.483 1.254 -5.614 1.00 0.00 N ATOM 0 HA ARG A 15 2.271 2.424 0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.028 2.557 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.027 1.672 -0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.642 -0.200 -0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.214 0.718 -1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.489 0.601 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.481 -0.820 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 15 1.784 1.466 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.063 -0.549 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.286 -0.247 -6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.792 1.850 -5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.443 1.105 -6.622 1.00 0.00 H new ATOM 205 N LEU A 16 3.233 1.312 2.303 1.00 0.00 N ATOM 206 CA LEU A 16 3.700 0.795 3.584 1.00 0.00 C ATOM 207 C LEU A 16 4.413 -0.542 3.405 1.00 0.00 C ATOM 208 O LEU A 16 3.915 -1.434 2.720 1.00 0.00 O ATOM 209 CB LEU A 16 2.525 0.632 4.550 1.00 0.00 C ATOM 210 CG LEU A 16 2.735 -0.348 5.705 1.00 0.00 C ATOM 211 CD1 LEU A 16 3.915 0.083 6.562 1.00 0.00 C ATOM 212 CD2 LEU A 16 1.473 -0.458 6.547 1.00 0.00 C ATOM 0 H LEU A 16 2.331 0.942 2.002 1.00 0.00 H new ATOM 0 HA LEU A 16 4.408 1.512 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.287 1.610 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.654 0.309 3.980 1.00 0.00 H new ATOM 0 HG LEU A 16 2.955 -1.331 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.050 -0.626 7.379 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.818 0.109 5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.725 1.075 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.641 -1.160 7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.221 0.521 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.651 -0.814 5.926 1.00 0.00 H new ATOM 224 N GLU A 17 5.581 -0.671 4.026 1.00 0.00 N ATOM 225 CA GLU A 17 6.362 -1.900 3.935 1.00 0.00 C ATOM 226 C GLU A 17 5.875 -2.930 4.950 1.00 0.00 C ATOM 227 O GLU A 17 5.907 -2.692 6.158 1.00 0.00 O ATOM 228 CB GLU A 17 7.846 -1.605 4.163 1.00 0.00 C ATOM 229 CG GLU A 17 8.772 -2.657 3.577 1.00 0.00 C ATOM 230 CD GLU A 17 10.237 -2.295 3.728 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.617 -1.800 4.810 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.002 -2.506 2.764 1.00 0.00 O ATOM 0 H GLU A 17 6.007 0.059 4.597 1.00 0.00 H new ATOM 0 HA GLU A 17 6.230 -2.311 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.087 -0.636 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.032 -1.525 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.586 -3.613 4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.542 -2.790 2.520 1.00 0.00 H new ATOM 239 N HIS A 18 5.423 -4.076 4.451 1.00 0.00 N ATOM 240 CA HIS A 18 4.929 -5.144 5.313 1.00 0.00 C ATOM 241 C HIS A 18 5.927 -6.296 5.377 1.00 0.00 C ATOM 242 O HIS A 18 6.285 -6.877 4.353 1.00 0.00 O ATOM 243 CB HIS A 18 3.578 -5.652 4.808 1.00 0.00 C ATOM 244 CG HIS A 18 2.947 -6.670 5.708 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.250 -6.336 6.850 1.00 0.00 N ATOM 246 CD2 HIS A 18 2.909 -8.021 5.627 1.00 0.00 C ATOM 247 CE1 HIS A 18 1.812 -7.438 7.433 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.199 -8.474 6.711 1.00 0.00 N ATOM 0 H HIS A 18 5.389 -4.289 3.454 1.00 0.00 H new ATOM 0 HA HIS A 18 4.804 -4.738 6.317 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.899 -4.806 4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.710 -6.087 3.817 1.00 0.00 H new ATOM 0 HD1 HIS A 18 2.097 -5.387 7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.354 -8.629 4.854 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.235 -7.484 8.345 1.00 0.00 H new ATOM 257 N GLN A 19 6.373 -6.620 6.587 1.00 0.00 N ATOM 258 CA GLN A 19 7.331 -7.701 6.783 1.00 0.00 C ATOM 259 C GLN A 19 6.700 -9.052 6.463 1.00 0.00 C ATOM 260 O GLN A 19 6.338 -9.809 7.365 1.00 0.00 O ATOM 261 CB GLN A 19 7.851 -7.695 8.222 1.00 0.00 C ATOM 262 CG GLN A 19 9.150 -8.464 8.403 1.00 0.00 C ATOM 263 CD GLN A 19 9.599 -8.518 9.850 1.00 0.00 C ATOM 264 OE1 GLN A 19 8.805 -8.797 10.749 1.00 0.00 O ATOM 265 NE2 GLN A 19 10.879 -8.251 10.083 1.00 0.00 N ATOM 0 H GLN A 19 6.086 -6.149 7.445 1.00 0.00 H new ATOM 0 HA GLN A 19 8.167 -7.541 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.002 -6.664 8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.091 -8.123 8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.022 -9.479 8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.931 -7.998 7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.502 -8.025 9.308 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.239 -8.272 11.037 1.00 0.00 H new ATOM 274 N LEU A 20 6.571 -9.349 5.175 1.00 0.00 N ATOM 275 CA LEU A 20 5.983 -10.609 4.735 1.00 0.00 C ATOM 276 C LEU A 20 6.449 -11.764 5.616 1.00 0.00 C ATOM 277 O LEU A 20 7.642 -12.057 5.692 1.00 0.00 O ATOM 278 CB LEU A 20 6.352 -10.885 3.276 1.00 0.00 C ATOM 279 CG LEU A 20 5.341 -11.703 2.472 1.00 0.00 C ATOM 280 CD1 LEU A 20 4.089 -10.884 2.198 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.962 -12.184 1.168 1.00 0.00 C ATOM 0 H LEU A 20 6.866 -8.734 4.417 1.00 0.00 H new ATOM 0 HA LEU A 20 4.900 -10.525 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.499 -9.930 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.309 -11.406 3.256 1.00 0.00 H new ATOM 0 HG LEU A 20 5.058 -12.576 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.381 -11.482 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.633 -10.589 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.354 -9.993 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.229 -12.765 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.274 -11.324 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.829 -12.808 1.386 1.00 0.00 H new ATOM 293 N GLU A 21 5.499 -12.417 6.279 1.00 0.00 N ATOM 294 CA GLU A 21 5.812 -13.540 7.153 1.00 0.00 C ATOM 295 C GLU A 21 5.403 -14.862 6.509 1.00 0.00 C ATOM 296 O GLU A 21 4.514 -14.918 5.659 1.00 0.00 O ATOM 297 CB GLU A 21 5.108 -13.378 8.502 1.00 0.00 C ATOM 298 CG GLU A 21 5.831 -12.445 9.458 1.00 0.00 C ATOM 299 CD GLU A 21 4.948 -11.979 10.599 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.016 -11.188 10.342 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.187 -12.405 11.748 1.00 0.00 O ATOM 0 H GLU A 21 4.507 -12.187 6.227 1.00 0.00 H new ATOM 0 HA GLU A 21 6.890 -13.552 7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.099 -13.001 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.008 -14.357 8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.705 -12.954 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.195 -11.577 8.907 1.00 0.00 H new ATOM 308 N PRO A 22 6.067 -15.951 6.922 1.00 0.00 N ATOM 309 CA PRO A 22 5.790 -17.293 6.399 1.00 0.00 C ATOM 310 C PRO A 22 4.436 -17.825 6.855 1.00 0.00 C ATOM 311 O PRO A 22 4.314 -18.392 7.940 1.00 0.00 O ATOM 312 CB PRO A 22 6.922 -18.142 6.984 1.00 0.00 C ATOM 313 CG PRO A 22 7.337 -17.421 8.220 1.00 0.00 C ATOM 314 CD PRO A 22 7.138 -15.958 7.933 1.00 0.00 C ATOM 0 HA PRO A 22 5.748 -17.305 5.310 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.582 -19.153 7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.751 -18.234 6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.739 -17.736 9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.378 -17.633 8.464 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.849 -15.409 8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.050 -15.495 7.556 1.00 0.00 H new ATOM 322 N GLY A 23 3.419 -17.637 6.019 1.00 0.00 N ATOM 323 CA GLY A 23 2.087 -18.105 6.354 1.00 0.00 C ATOM 324 C GLY A 23 1.004 -17.153 5.885 1.00 0.00 C ATOM 325 O GLY A 23 -0.171 -17.517 5.832 1.00 0.00 O ATOM 0 H GLY A 23 3.494 -17.169 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.925 -19.085 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.011 -18.234 7.434 1.00 0.00 H new ATOM 329 N ASP A 24 1.399 -15.931 5.546 1.00 0.00 N ATOM 330 CA ASP A 24 0.453 -14.924 5.080 1.00 0.00 C ATOM 331 C ASP A 24 -0.072 -15.273 3.691 1.00 0.00 C ATOM 332 O ASP A 24 0.521 -16.081 2.975 1.00 0.00 O ATOM 333 CB ASP A 24 1.113 -13.545 5.057 1.00 0.00 C ATOM 334 CG ASP A 24 0.998 -12.826 6.387 1.00 0.00 C ATOM 335 OD1 ASP A 24 -0.140 -12.645 6.868 1.00 0.00 O ATOM 336 OD2 ASP A 24 2.047 -12.446 6.948 1.00 0.00 O ATOM 0 H ASP A 24 2.368 -15.614 5.585 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.388 -14.904 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.166 -13.654 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.652 -12.938 4.278 1.00 0.00 H new ATOM 341 N THR A 25 -1.190 -14.659 3.314 1.00 0.00 N ATOM 342 CA THR A 25 -1.796 -14.907 2.012 1.00 0.00 C ATOM 343 C THR A 25 -2.279 -13.608 1.375 1.00 0.00 C ATOM 344 O THR A 25 -2.631 -12.656 2.072 1.00 0.00 O ATOM 345 CB THR A 25 -2.982 -15.884 2.121 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.963 -15.364 3.026 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.516 -17.250 2.600 1.00 0.00 C ATOM 0 H THR A 25 -1.694 -13.987 3.892 1.00 0.00 H new ATOM 0 HA THR A 25 -1.025 -15.353 1.384 1.00 0.00 H new ATOM 0 HB THR A 25 -3.424 -15.996 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.715 -15.990 3.089 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.371 -17.923 2.669 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.792 -17.656 1.894 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.051 -17.152 3.581 1.00 0.00 H new ATOM 355 N LEU A 26 -2.294 -13.576 0.047 1.00 0.00 N ATOM 356 CA LEU A 26 -2.734 -12.394 -0.685 1.00 0.00 C ATOM 357 C LEU A 26 -4.113 -11.943 -0.212 1.00 0.00 C ATOM 358 O LEU A 26 -4.297 -10.794 0.188 1.00 0.00 O ATOM 359 CB LEU A 26 -2.767 -12.683 -2.187 1.00 0.00 C ATOM 360 CG LEU A 26 -1.410 -12.739 -2.889 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.532 -13.444 -4.231 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.845 -11.338 -3.071 1.00 0.00 C ATOM 0 H LEU A 26 -2.006 -14.355 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.023 -11.591 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.274 -13.635 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.373 -11.917 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.723 -13.308 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.556 -13.474 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.892 -14.461 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.235 -12.903 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.121 -11.398 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.531 -10.745 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.719 -10.867 -2.096 1.00 0.00 H new ATOM 374 N ALA A 27 -5.077 -12.857 -0.259 1.00 0.00 N ATOM 375 CA ALA A 27 -6.437 -12.554 0.169 1.00 0.00 C ATOM 376 C ALA A 27 -6.451 -11.950 1.569 1.00 0.00 C ATOM 377 O ALA A 27 -7.271 -11.085 1.874 1.00 0.00 O ATOM 378 CB ALA A 27 -7.295 -13.810 0.125 1.00 0.00 C ATOM 0 H ALA A 27 -4.941 -13.813 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.853 -11.818 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.308 -13.570 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.320 -14.198 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.872 -14.563 0.790 1.00 0.00 H new ATOM 384 N GLY A 28 -5.537 -12.412 2.417 1.00 0.00 N ATOM 385 CA GLY A 28 -5.463 -11.906 3.775 1.00 0.00 C ATOM 386 C GLY A 28 -5.069 -10.443 3.828 1.00 0.00 C ATOM 387 O GLY A 28 -5.810 -9.612 4.355 1.00 0.00 O ATOM 0 H GLY A 28 -4.847 -13.127 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.430 -12.037 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.740 -12.495 4.340 1.00 0.00 H new ATOM 391 N LEU A 29 -3.900 -10.126 3.282 1.00 0.00 N ATOM 392 CA LEU A 29 -3.408 -8.753 3.270 1.00 0.00 C ATOM 393 C LEU A 29 -4.401 -7.825 2.579 1.00 0.00 C ATOM 394 O LEU A 29 -4.715 -6.748 3.086 1.00 0.00 O ATOM 395 CB LEU A 29 -2.052 -8.683 2.566 1.00 0.00 C ATOM 396 CG LEU A 29 -0.977 -9.640 3.083 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.203 -9.684 2.125 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.521 -9.230 4.475 1.00 0.00 C ATOM 0 H LEU A 29 -3.275 -10.801 2.842 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.292 -8.426 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.205 -8.880 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.674 -7.664 2.650 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.407 -10.640 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.958 -10.370 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.135 -10.027 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.633 -8.687 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.244 -9.923 4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.109 -8.221 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.371 -9.252 5.157 1.00 0.00 H new ATOM 410 N ALA A 30 -4.894 -8.250 1.421 1.00 0.00 N ATOM 411 CA ALA A 30 -5.855 -7.459 0.662 1.00 0.00 C ATOM 412 C ALA A 30 -6.871 -6.796 1.586 1.00 0.00 C ATOM 413 O ALA A 30 -6.999 -5.571 1.608 1.00 0.00 O ATOM 414 CB ALA A 30 -6.562 -8.330 -0.365 1.00 0.00 C ATOM 0 H ALA A 30 -4.644 -9.139 0.987 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.310 -6.672 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.277 -7.726 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.828 -8.752 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.089 -9.137 0.144 1.00 0.00 H new ATOM 420 N LEU A 31 -7.591 -7.612 2.348 1.00 0.00 N ATOM 421 CA LEU A 31 -8.597 -7.104 3.275 1.00 0.00 C ATOM 422 C LEU A 31 -7.941 -6.474 4.499 1.00 0.00 C ATOM 423 O LEU A 31 -8.331 -5.392 4.938 1.00 0.00 O ATOM 424 CB LEU A 31 -9.535 -8.232 3.708 1.00 0.00 C ATOM 425 CG LEU A 31 -10.120 -9.088 2.584 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.389 -10.502 3.075 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.394 -8.457 2.043 1.00 0.00 C ATOM 0 H LEU A 31 -7.497 -8.628 2.342 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.175 -6.336 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.993 -8.886 4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.359 -7.795 4.272 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.392 -9.140 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.805 -11.097 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.456 -10.953 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.099 -10.471 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.797 -9.079 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.128 -8.375 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.171 -7.464 1.652 1.00 0.00 H new ATOM 439 N LYS A 32 -6.941 -7.157 5.046 1.00 0.00 N ATOM 440 CA LYS A 32 -6.227 -6.664 6.218 1.00 0.00 C ATOM 441 C LYS A 32 -6.038 -5.152 6.143 1.00 0.00 C ATOM 442 O LYS A 32 -6.042 -4.465 7.165 1.00 0.00 O ATOM 443 CB LYS A 32 -4.866 -7.354 6.339 1.00 0.00 C ATOM 444 CG LYS A 32 -4.268 -7.278 7.733 1.00 0.00 C ATOM 445 CD LYS A 32 -2.937 -8.006 7.809 1.00 0.00 C ATOM 446 CE LYS A 32 -2.125 -7.558 9.015 1.00 0.00 C ATOM 447 NZ LYS A 32 -1.176 -8.613 9.468 1.00 0.00 N ATOM 0 H LYS A 32 -6.606 -8.055 4.696 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.824 -6.895 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.972 -8.401 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.173 -6.900 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.129 -6.234 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.963 -7.712 8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.111 -9.080 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.368 -7.823 6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.570 -6.654 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.799 -7.301 9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.642 -8.269 10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.707 -9.467 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.516 -8.840 8.697 1.00 0.00 H new ATOM 461 N TYR A 33 -5.873 -4.641 4.928 1.00 0.00 N ATOM 462 CA TYR A 33 -5.681 -3.210 4.721 1.00 0.00 C ATOM 463 C TYR A 33 -6.950 -2.564 4.176 1.00 0.00 C ATOM 464 O TYR A 33 -7.579 -1.744 4.843 1.00 0.00 O ATOM 465 CB TYR A 33 -4.517 -2.965 3.760 1.00 0.00 C ATOM 466 CG TYR A 33 -3.165 -3.309 4.344 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.825 -4.625 4.630 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.229 -2.318 4.610 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.592 -4.944 5.165 1.00 0.00 C ATOM 470 CE2 TYR A 33 -0.993 -2.627 5.144 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.679 -3.942 5.420 1.00 0.00 C ATOM 472 OH TYR A 33 0.551 -4.256 5.951 1.00 0.00 O ATOM 0 H TYR A 33 -5.868 -5.196 4.072 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.449 -2.756 5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.673 -3.554 2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.518 -1.917 3.461 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.537 -5.412 4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.472 -1.288 4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.344 -5.972 5.382 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.277 -1.844 5.344 1.00 0.00 H new ATOM 0 HH TYR A 33 0.615 -5.226 6.076 1.00 0.00 H new ATOM 482 N GLY A 34 -7.322 -2.941 2.956 1.00 0.00 N ATOM 483 CA GLY A 34 -8.515 -2.390 2.341 1.00 0.00 C ATOM 484 C GLY A 34 -8.397 -2.293 0.832 1.00 0.00 C ATOM 485 O GLY A 34 -8.902 -1.350 0.222 1.00 0.00 O ATOM 0 H GLY A 34 -6.818 -3.618 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.372 -3.013 2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.707 -1.399 2.752 1.00 0.00 H new ATOM 489 N VAL A 35 -7.728 -3.270 0.229 1.00 0.00 N ATOM 490 CA VAL A 35 -7.544 -3.291 -1.218 1.00 0.00 C ATOM 491 C VAL A 35 -7.764 -4.691 -1.779 1.00 0.00 C ATOM 492 O VAL A 35 -8.070 -5.628 -1.041 1.00 0.00 O ATOM 493 CB VAL A 35 -6.136 -2.806 -1.612 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.889 -1.400 -1.089 1.00 0.00 C ATOM 495 CG2 VAL A 35 -5.078 -3.770 -1.096 1.00 0.00 C ATOM 0 H VAL A 35 -7.304 -4.058 0.719 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.285 -2.613 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.071 -2.779 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.889 -1.075 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.628 -0.719 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.972 -1.396 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.089 -3.413 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.140 -3.831 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.245 -4.758 -1.525 1.00 0.00 H new ATOM 505 N THR A 36 -7.606 -4.827 -3.092 1.00 0.00 N ATOM 506 CA THR A 36 -7.787 -6.113 -3.754 1.00 0.00 C ATOM 507 C THR A 36 -6.446 -6.770 -4.057 1.00 0.00 C ATOM 508 O THR A 36 -5.483 -6.097 -4.425 1.00 0.00 O ATOM 509 CB THR A 36 -8.580 -5.962 -5.067 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.186 -6.978 -5.996 1.00 0.00 O ATOM 511 CG2 THR A 36 -8.352 -4.589 -5.682 1.00 0.00 C ATOM 0 H THR A 36 -7.353 -4.062 -3.718 1.00 0.00 H new ATOM 0 HA THR A 36 -8.351 -6.745 -3.067 1.00 0.00 H new ATOM 0 HB THR A 36 -9.641 -6.069 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.695 -6.877 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.922 -4.506 -6.608 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.679 -3.819 -4.984 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.291 -4.458 -5.896 1.00 0.00 H new ATOM 519 N MET A 37 -6.389 -8.089 -3.900 1.00 0.00 N ATOM 520 CA MET A 37 -5.164 -8.837 -4.158 1.00 0.00 C ATOM 521 C MET A 37 -4.496 -8.358 -5.443 1.00 0.00 C ATOM 522 O MET A 37 -3.303 -8.055 -5.456 1.00 0.00 O ATOM 523 CB MET A 37 -5.466 -10.333 -4.254 1.00 0.00 C ATOM 524 CG MET A 37 -6.083 -10.911 -2.991 1.00 0.00 C ATOM 525 SD MET A 37 -7.019 -12.421 -3.302 1.00 0.00 S ATOM 526 CE MET A 37 -5.820 -13.377 -4.228 1.00 0.00 C ATOM 0 H MET A 37 -7.177 -8.661 -3.596 1.00 0.00 H new ATOM 0 HA MET A 37 -4.480 -8.664 -3.327 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.143 -10.506 -5.091 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.543 -10.868 -4.475 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.294 -11.120 -2.269 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.740 -10.168 -2.539 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.925 -14.433 -3.978 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.990 -13.238 -5.296 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.814 -13.042 -3.975 1.00 0.00 H new ATOM 536 N GLU A 38 -5.272 -8.292 -6.520 1.00 0.00 N ATOM 537 CA GLU A 38 -4.753 -7.851 -7.809 1.00 0.00 C ATOM 538 C GLU A 38 -3.990 -6.537 -7.668 1.00 0.00 C ATOM 539 O GLU A 38 -2.815 -6.448 -8.024 1.00 0.00 O ATOM 540 CB GLU A 38 -5.894 -7.685 -8.814 1.00 0.00 C ATOM 541 CG GLU A 38 -5.424 -7.551 -10.253 1.00 0.00 C ATOM 542 CD GLU A 38 -6.470 -8.006 -11.253 1.00 0.00 C ATOM 543 OE1 GLU A 38 -6.786 -9.214 -11.271 1.00 0.00 O ATOM 544 OE2 GLU A 38 -6.971 -7.155 -12.017 1.00 0.00 O ATOM 0 H GLU A 38 -6.262 -8.538 -6.525 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.065 -8.613 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.562 -8.543 -8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.476 -6.803 -8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.165 -6.511 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.516 -8.137 -10.391 1.00 0.00 H new ATOM 551 N GLN A 39 -4.667 -5.519 -7.146 1.00 0.00 N ATOM 552 CA GLN A 39 -4.054 -4.210 -6.958 1.00 0.00 C ATOM 553 C GLN A 39 -2.634 -4.346 -6.419 1.00 0.00 C ATOM 554 O GLN A 39 -1.675 -3.903 -7.051 1.00 0.00 O ATOM 555 CB GLN A 39 -4.896 -3.361 -6.004 1.00 0.00 C ATOM 556 CG GLN A 39 -6.015 -2.598 -6.694 1.00 0.00 C ATOM 557 CD GLN A 39 -6.880 -1.824 -5.719 1.00 0.00 C ATOM 558 OE1 GLN A 39 -6.483 -1.574 -4.581 1.00 0.00 O ATOM 559 NE2 GLN A 39 -8.072 -1.439 -6.162 1.00 0.00 N ATOM 0 H GLN A 39 -5.640 -5.576 -6.846 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.008 -3.716 -7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.326 -4.008 -5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.246 -2.652 -5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.585 -1.908 -7.420 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.638 -3.298 -7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.361 -1.668 -7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.698 -0.915 -5.551 1.00 0.00 H new ATOM 568 N ILE A 40 -2.508 -4.961 -5.248 1.00 0.00 N ATOM 569 CA ILE A 40 -1.204 -5.155 -4.624 1.00 0.00 C ATOM 570 C ILE A 40 -0.193 -5.706 -5.625 1.00 0.00 C ATOM 571 O ILE A 40 0.850 -5.099 -5.867 1.00 0.00 O ATOM 572 CB ILE A 40 -1.293 -6.113 -3.422 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.194 -5.521 -2.336 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.095 -6.398 -2.868 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.466 -6.472 -1.191 1.00 0.00 C ATOM 0 H ILE A 40 -3.292 -5.333 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.872 -4.177 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.730 -7.054 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.730 -4.616 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.142 -5.224 -2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.016 -7.077 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.709 -6.857 -3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.556 -5.465 -2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.111 -5.985 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.959 -7.367 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.524 -6.750 -0.717 1.00 0.00 H new ATOM 587 N LYS A 41 -0.510 -6.858 -6.205 1.00 0.00 N ATOM 588 CA LYS A 41 0.368 -7.491 -7.182 1.00 0.00 C ATOM 589 C LYS A 41 0.711 -6.524 -8.311 1.00 0.00 C ATOM 590 O LYS A 41 1.866 -6.133 -8.476 1.00 0.00 O ATOM 591 CB LYS A 41 -0.293 -8.747 -7.754 1.00 0.00 C ATOM 592 CG LYS A 41 -0.594 -9.806 -6.709 1.00 0.00 C ATOM 593 CD LYS A 41 -1.701 -10.742 -7.165 1.00 0.00 C ATOM 594 CE LYS A 41 -1.145 -11.922 -7.948 1.00 0.00 C ATOM 595 NZ LYS A 41 -0.677 -11.518 -9.303 1.00 0.00 N ATOM 0 H LYS A 41 -1.370 -7.373 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 41 1.291 -7.773 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.221 -8.465 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.358 -9.175 -8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.308 -10.382 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.885 -9.325 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.251 -11.106 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.410 -10.194 -7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.317 -12.367 -7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.913 -12.689 -8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.771 -12.321 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.253 -10.723 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.320 -11.227 -9.253 1.00 0.00 H new ATOM 609 N ARG A 42 -0.300 -6.142 -9.084 1.00 0.00 N ATOM 610 CA ARG A 42 -0.105 -5.221 -10.197 1.00 0.00 C ATOM 611 C ARG A 42 0.680 -3.990 -9.753 1.00 0.00 C ATOM 612 O ARG A 42 1.361 -3.353 -10.556 1.00 0.00 O ATOM 613 CB ARG A 42 -1.455 -4.796 -10.778 1.00 0.00 C ATOM 614 CG ARG A 42 -1.386 -4.379 -12.238 1.00 0.00 C ATOM 615 CD ARG A 42 -2.762 -4.382 -12.884 1.00 0.00 C ATOM 616 NE ARG A 42 -3.205 -5.731 -13.225 1.00 0.00 N ATOM 617 CZ ARG A 42 -4.194 -5.988 -14.073 1.00 0.00 C ATOM 618 NH1 ARG A 42 -4.840 -4.993 -14.665 1.00 0.00 N ATOM 619 NH2 ARG A 42 -4.539 -7.243 -14.332 1.00 0.00 N ATOM 0 H ARG A 42 -1.262 -6.456 -8.960 1.00 0.00 H new ATOM 0 HA ARG A 42 0.468 -5.738 -10.967 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.160 -5.621 -10.678 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.849 -3.967 -10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.950 -3.383 -12.313 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.727 -5.057 -12.780 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.482 -3.925 -12.205 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.740 -3.769 -13.785 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.728 -6.520 -12.788 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.578 -4.027 -14.470 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.599 -5.194 -15.316 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.044 -8.012 -13.879 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.299 -7.439 -14.984 1.00 0.00 H new ATOM 633 N ALA A 43 0.578 -3.661 -8.469 1.00 0.00 N ATOM 634 CA ALA A 43 1.279 -2.508 -7.918 1.00 0.00 C ATOM 635 C ALA A 43 2.774 -2.781 -7.795 1.00 0.00 C ATOM 636 O ALA A 43 3.595 -1.884 -7.980 1.00 0.00 O ATOM 637 CB ALA A 43 0.696 -2.134 -6.563 1.00 0.00 C ATOM 0 H ALA A 43 0.017 -4.177 -7.791 1.00 0.00 H new ATOM 0 HA ALA A 43 1.144 -1.671 -8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.229 -1.271 -6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.360 -1.888 -6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.801 -2.975 -5.877 1.00 0.00 H new ATOM 643 N ASN A 44 3.119 -4.026 -7.482 1.00 0.00 N ATOM 644 CA ASN A 44 4.516 -4.417 -7.333 1.00 0.00 C ATOM 645 C ASN A 44 4.872 -5.544 -8.298 1.00 0.00 C ATOM 646 O ASN A 44 5.827 -6.288 -8.075 1.00 0.00 O ATOM 647 CB ASN A 44 4.795 -4.856 -5.894 1.00 0.00 C ATOM 648 CG ASN A 44 4.290 -3.852 -4.876 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.456 -2.643 -5.044 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.670 -4.349 -3.812 1.00 0.00 N ATOM 0 H ASN A 44 2.451 -4.781 -7.327 1.00 0.00 H new ATOM 0 HA ASN A 44 5.136 -3.552 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.323 -5.822 -5.713 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.868 -4.996 -5.761 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.309 -3.722 -3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.555 -5.358 -3.714 1.00 0.00 H new ATOM 657 N ARG A 45 4.096 -5.663 -9.371 1.00 0.00 N ATOM 658 CA ARG A 45 4.328 -6.699 -10.370 1.00 0.00 C ATOM 659 C ARG A 45 4.880 -7.965 -9.722 1.00 0.00 C ATOM 660 O ARG A 45 5.846 -8.555 -10.209 1.00 0.00 O ATOM 661 CB ARG A 45 5.299 -6.197 -11.441 1.00 0.00 C ATOM 662 CG ARG A 45 4.677 -5.205 -12.410 1.00 0.00 C ATOM 663 CD ARG A 45 4.825 -3.775 -11.914 1.00 0.00 C ATOM 664 NE ARG A 45 6.217 -3.332 -11.928 1.00 0.00 N ATOM 665 CZ ARG A 45 6.599 -2.098 -11.618 1.00 0.00 C ATOM 666 NH1 ARG A 45 5.698 -1.189 -11.272 1.00 0.00 N ATOM 667 NH2 ARG A 45 7.884 -1.771 -11.654 1.00 0.00 N ATOM 0 H ARG A 45 3.302 -5.055 -9.570 1.00 0.00 H new ATOM 0 HA ARG A 45 3.373 -6.937 -10.838 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.154 -5.728 -10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.680 -7.050 -12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.150 -5.303 -13.387 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.620 -5.438 -12.543 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.227 -3.111 -12.538 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.431 -3.700 -10.900 1.00 0.00 H new ATOM 0 HE ARG A 45 6.935 -4.007 -12.190 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.709 -1.436 -11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.994 -0.242 -11.034 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.580 -2.467 -11.920 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.176 -0.823 -11.416 1.00 0.00 H new ATOM 681 N LEU A 46 4.261 -8.378 -8.621 1.00 0.00 N ATOM 682 CA LEU A 46 4.690 -9.575 -7.905 1.00 0.00 C ATOM 683 C LEU A 46 4.381 -10.832 -8.712 1.00 0.00 C ATOM 684 O LEU A 46 4.897 -11.911 -8.420 1.00 0.00 O ATOM 685 CB LEU A 46 4.004 -9.649 -6.540 1.00 0.00 C ATOM 686 CG LEU A 46 4.708 -8.920 -5.395 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.827 -8.897 -4.155 1.00 0.00 C ATOM 688 CD2 LEU A 46 6.047 -9.575 -5.088 1.00 0.00 C ATOM 0 H LEU A 46 3.461 -7.902 -8.205 1.00 0.00 H new ATOM 0 HA LEU A 46 5.769 -9.515 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.998 -9.242 -6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.898 -10.698 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 46 4.892 -7.891 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.344 -8.374 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.894 -8.381 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.611 -9.919 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.534 -9.043 -4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.886 -10.614 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.682 -9.538 -5.973 1.00 0.00 H new ATOM 700 N TYR A 47 3.537 -10.685 -9.727 1.00 0.00 N ATOM 701 CA TYR A 47 3.159 -11.808 -10.576 1.00 0.00 C ATOM 702 C TYR A 47 4.394 -12.520 -11.119 1.00 0.00 C ATOM 703 O TYR A 47 5.071 -12.018 -12.017 1.00 0.00 O ATOM 704 CB TYR A 47 2.283 -11.328 -11.734 1.00 0.00 C ATOM 705 CG TYR A 47 3.035 -10.519 -12.767 1.00 0.00 C ATOM 706 CD1 TYR A 47 3.285 -9.167 -12.571 1.00 0.00 C ATOM 707 CD2 TYR A 47 3.493 -11.108 -13.939 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.971 -8.424 -13.512 1.00 0.00 C ATOM 709 CE2 TYR A 47 4.181 -10.373 -14.885 1.00 0.00 C ATOM 710 CZ TYR A 47 4.418 -9.032 -14.667 1.00 0.00 C ATOM 711 OH TYR A 47 5.101 -8.296 -15.608 1.00 0.00 O ATOM 0 H TYR A 47 3.101 -9.799 -9.982 1.00 0.00 H new ATOM 0 HA TYR A 47 2.592 -12.514 -9.969 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.832 -12.193 -12.220 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.467 -10.725 -11.336 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.937 -8.688 -11.667 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.308 -12.158 -14.113 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.156 -7.373 -13.345 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.531 -10.846 -15.790 1.00 0.00 H new ATOM 0 HH TYR A 47 5.346 -8.874 -16.360 1.00 0.00 H new ATOM 721 N THR A 48 4.682 -13.696 -10.568 1.00 0.00 N ATOM 722 CA THR A 48 5.835 -14.478 -10.995 1.00 0.00 C ATOM 723 C THR A 48 5.466 -15.946 -11.178 1.00 0.00 C ATOM 724 O THR A 48 4.460 -16.413 -10.647 1.00 0.00 O ATOM 725 CB THR A 48 6.991 -14.374 -9.983 1.00 0.00 C ATOM 726 OG1 THR A 48 6.549 -14.797 -8.689 1.00 0.00 O ATOM 727 CG2 THR A 48 7.514 -12.947 -9.905 1.00 0.00 C ATOM 0 H THR A 48 4.132 -14.127 -9.825 1.00 0.00 H new ATOM 0 HA THR A 48 6.160 -14.065 -11.950 1.00 0.00 H new ATOM 0 HB THR A 48 7.799 -15.023 -10.320 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.553 -15.776 -8.646 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.330 -12.897 -9.184 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.877 -12.638 -10.885 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.710 -12.282 -9.590 1.00 0.00 H new ATOM 735 N ASN A 49 6.287 -16.668 -11.933 1.00 0.00 N ATOM 736 CA ASN A 49 6.046 -18.084 -12.186 1.00 0.00 C ATOM 737 C ASN A 49 5.875 -18.849 -10.876 1.00 0.00 C ATOM 738 O ASN A 49 5.044 -19.751 -10.777 1.00 0.00 O ATOM 739 CB ASN A 49 7.201 -18.683 -12.992 1.00 0.00 C ATOM 740 CG ASN A 49 6.830 -20.005 -13.637 1.00 0.00 C ATOM 741 OD1 ASN A 49 5.836 -20.100 -14.357 1.00 0.00 O ATOM 742 ND2 ASN A 49 7.631 -21.033 -13.381 1.00 0.00 N ATOM 0 H ASN A 49 7.125 -16.296 -12.380 1.00 0.00 H new ATOM 0 HA ASN A 49 5.125 -18.173 -12.762 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.506 -17.977 -13.765 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.060 -18.829 -12.337 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.433 -21.947 -13.787 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.444 -20.908 -12.778 1.00 0.00 H new ATOM 749 N ASP A 50 6.668 -18.482 -9.875 1.00 0.00 N ATOM 750 CA ASP A 50 6.603 -19.131 -8.571 1.00 0.00 C ATOM 751 C ASP A 50 5.884 -18.246 -7.558 1.00 0.00 C ATOM 752 O ASP A 50 5.823 -17.027 -7.717 1.00 0.00 O ATOM 753 CB ASP A 50 8.011 -19.459 -8.071 1.00 0.00 C ATOM 754 CG ASP A 50 8.664 -20.571 -8.868 1.00 0.00 C ATOM 755 OD1 ASP A 50 8.830 -20.403 -10.094 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.008 -21.610 -8.266 1.00 0.00 O ATOM 0 H ASP A 50 7.363 -17.739 -9.942 1.00 0.00 H new ATOM 0 HA ASP A 50 6.039 -20.057 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.631 -18.564 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.962 -19.749 -7.021 1.00 0.00 H new ATOM 761 N SER A 51 5.338 -18.869 -6.518 1.00 0.00 N ATOM 762 CA SER A 51 4.618 -18.139 -5.482 1.00 0.00 C ATOM 763 C SER A 51 5.289 -16.799 -5.195 1.00 0.00 C ATOM 764 O SER A 51 6.480 -16.621 -5.453 1.00 0.00 O ATOM 765 CB SER A 51 4.546 -18.970 -4.199 1.00 0.00 C ATOM 766 OG SER A 51 3.688 -20.086 -4.363 1.00 0.00 O ATOM 0 H SER A 51 5.381 -19.877 -6.371 1.00 0.00 H new ATOM 0 HA SER A 51 3.607 -17.950 -5.842 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.545 -19.312 -3.927 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.187 -18.348 -3.379 1.00 0.00 H new ATOM 0 HG SER A 51 3.660 -20.602 -3.530 1.00 0.00 H new ATOM 772 N ILE A 52 4.516 -15.860 -4.661 1.00 0.00 N ATOM 773 CA ILE A 52 5.035 -14.536 -4.338 1.00 0.00 C ATOM 774 C ILE A 52 6.023 -14.601 -3.179 1.00 0.00 C ATOM 775 O ILE A 52 6.885 -13.733 -3.035 1.00 0.00 O ATOM 776 CB ILE A 52 3.900 -13.559 -3.977 1.00 0.00 C ATOM 777 CG1 ILE A 52 2.992 -14.171 -2.908 1.00 0.00 C ATOM 778 CG2 ILE A 52 3.097 -13.198 -5.217 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.325 -13.144 -2.021 1.00 0.00 C ATOM 0 H ILE A 52 3.528 -15.991 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 52 5.547 -14.172 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 52 4.340 -12.647 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.224 -14.771 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.580 -14.848 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.299 -12.507 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.752 -12.726 -5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.664 -14.102 -5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.697 -13.650 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.087 -12.559 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.710 -12.482 -2.630 1.00 0.00 H new ATOM 791 N PHE A 53 5.894 -15.635 -2.355 1.00 0.00 N ATOM 792 CA PHE A 53 6.777 -15.814 -1.209 1.00 0.00 C ATOM 793 C PHE A 53 8.235 -15.611 -1.608 1.00 0.00 C ATOM 794 O PHE A 53 9.092 -15.347 -0.763 1.00 0.00 O ATOM 795 CB PHE A 53 6.590 -17.209 -0.607 1.00 0.00 C ATOM 796 CG PHE A 53 5.355 -17.336 0.238 1.00 0.00 C ATOM 797 CD1 PHE A 53 5.332 -16.843 1.533 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.218 -17.951 -0.261 1.00 0.00 C ATOM 799 CE1 PHE A 53 4.197 -16.958 2.313 1.00 0.00 C ATOM 800 CE2 PHE A 53 3.080 -18.069 0.515 1.00 0.00 C ATOM 801 CZ PHE A 53 3.070 -17.573 1.804 1.00 0.00 C ATOM 0 H PHE A 53 5.186 -16.362 -2.460 1.00 0.00 H new ATOM 0 HA PHE A 53 6.516 -15.065 -0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.546 -17.941 -1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.462 -17.454 -0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.211 -16.363 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.221 -18.343 -1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.191 -16.567 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.200 -18.549 0.114 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.183 -17.666 2.413 1.00 0.00 H new ATOM 811 N LEU A 54 8.511 -15.737 -2.901 1.00 0.00 N ATOM 812 CA LEU A 54 9.866 -15.568 -3.415 1.00 0.00 C ATOM 813 C LEU A 54 10.516 -14.316 -2.836 1.00 0.00 C ATOM 814 O LEU A 54 11.729 -14.271 -2.630 1.00 0.00 O ATOM 815 CB LEU A 54 9.847 -15.488 -4.942 1.00 0.00 C ATOM 816 CG LEU A 54 9.440 -16.765 -5.677 1.00 0.00 C ATOM 817 CD1 LEU A 54 9.039 -16.452 -7.110 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.573 -17.781 -5.648 1.00 0.00 C ATOM 0 H LEU A 54 7.814 -15.956 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 54 10.454 -16.434 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.164 -14.691 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.841 -15.198 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 54 8.579 -17.196 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.753 -17.373 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.196 -15.761 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.881 -15.997 -7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.266 -18.684 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.453 -17.359 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.813 -18.029 -4.614 1.00 0.00 H new ATOM 830 N LYS A 55 9.700 -13.300 -2.573 1.00 0.00 N ATOM 831 CA LYS A 55 10.194 -12.047 -2.014 1.00 0.00 C ATOM 832 C LYS A 55 10.305 -12.136 -0.495 1.00 0.00 C ATOM 833 O LYS A 55 10.072 -13.191 0.095 1.00 0.00 O ATOM 834 CB LYS A 55 9.267 -10.892 -2.401 1.00 0.00 C ATOM 835 CG LYS A 55 9.205 -10.639 -3.897 1.00 0.00 C ATOM 836 CD LYS A 55 8.946 -9.173 -4.204 1.00 0.00 C ATOM 837 CE LYS A 55 10.246 -8.394 -4.335 1.00 0.00 C ATOM 838 NZ LYS A 55 10.082 -7.181 -5.185 1.00 0.00 N ATOM 0 H LYS A 55 8.694 -13.320 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 55 11.187 -11.861 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.263 -11.105 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.603 -9.984 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.143 -10.948 -4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.416 -11.249 -4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.375 -9.089 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.337 -8.736 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.594 -8.100 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.014 -9.038 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.990 -6.677 -5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.774 -7.463 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.368 -6.554 -4.762 1.00 0.00 H new ATOM 852 N LYS A 56 10.661 -11.021 0.134 1.00 0.00 N ATOM 853 CA LYS A 56 10.801 -10.970 1.584 1.00 0.00 C ATOM 854 C LYS A 56 9.832 -9.960 2.189 1.00 0.00 C ATOM 855 O LYS A 56 9.151 -10.249 3.174 1.00 0.00 O ATOM 856 CB LYS A 56 12.238 -10.608 1.966 1.00 0.00 C ATOM 857 CG LYS A 56 13.188 -11.792 1.954 1.00 0.00 C ATOM 858 CD LYS A 56 14.508 -11.456 2.627 1.00 0.00 C ATOM 859 CE LYS A 56 15.427 -10.679 1.697 1.00 0.00 C ATOM 860 NZ LYS A 56 16.161 -11.579 0.765 1.00 0.00 N ATOM 0 H LYS A 56 10.858 -10.139 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 56 10.564 -11.957 1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.608 -9.849 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.239 -10.162 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.724 -12.637 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.372 -12.102 0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.320 -10.870 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.001 -12.376 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.841 -9.961 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 56 16.142 -10.106 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.777 -11.012 0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.740 -12.247 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.479 -12.107 0.183 1.00 0.00 H new ATOM 874 N THR A 57 9.774 -8.773 1.594 1.00 0.00 N ATOM 875 CA THR A 57 8.888 -7.719 2.074 1.00 0.00 C ATOM 876 C THR A 57 7.958 -7.236 0.967 1.00 0.00 C ATOM 877 O THR A 57 8.400 -6.942 -0.144 1.00 0.00 O ATOM 878 CB THR A 57 9.686 -6.520 2.619 1.00 0.00 C ATOM 879 OG1 THR A 57 10.976 -6.467 2.001 1.00 0.00 O ATOM 880 CG2 THR A 57 9.845 -6.617 4.129 1.00 0.00 C ATOM 0 H THR A 57 10.330 -8.517 0.778 1.00 0.00 H new ATOM 0 HA THR A 57 8.294 -8.148 2.881 1.00 0.00 H new ATOM 0 HB THR A 57 9.135 -5.609 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.476 -5.701 2.352 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.412 -5.759 4.491 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.861 -6.626 4.599 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.376 -7.535 4.381 1.00 0.00 H new ATOM 888 N LEU A 58 6.669 -7.155 1.277 1.00 0.00 N ATOM 889 CA LEU A 58 5.676 -6.706 0.308 1.00 0.00 C ATOM 890 C LEU A 58 5.026 -5.402 0.759 1.00 0.00 C ATOM 891 O LEU A 58 4.446 -5.327 1.843 1.00 0.00 O ATOM 892 CB LEU A 58 4.605 -7.780 0.110 1.00 0.00 C ATOM 893 CG LEU A 58 5.051 -9.043 -0.629 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.856 -9.743 -1.258 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.091 -8.703 -1.687 1.00 0.00 C ATOM 0 H LEU A 58 6.287 -7.394 2.192 1.00 0.00 H new ATOM 0 HA LEU A 58 6.184 -6.529 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.225 -8.071 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.772 -7.338 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 58 5.505 -9.722 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.192 -10.639 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.146 -10.021 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.372 -9.071 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.397 -9.613 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.663 -8.005 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.959 -8.247 -1.211 1.00 0.00 H new ATOM 907 N TYR A 59 5.124 -4.376 -0.080 1.00 0.00 N ATOM 908 CA TYR A 59 4.546 -3.075 0.233 1.00 0.00 C ATOM 909 C TYR A 59 3.054 -3.051 -0.086 1.00 0.00 C ATOM 910 O TYR A 59 2.596 -3.717 -1.015 1.00 0.00 O ATOM 911 CB TYR A 59 5.264 -1.974 -0.549 1.00 0.00 C ATOM 912 CG TYR A 59 6.689 -2.322 -0.915 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.488 -3.060 -0.052 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.235 -1.913 -2.126 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.791 -3.380 -0.383 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.536 -2.229 -2.466 1.00 0.00 C ATOM 917 CZ TYR A 59 9.310 -2.962 -1.590 1.00 0.00 C ATOM 918 OH TYR A 59 10.607 -3.280 -1.924 1.00 0.00 O ATOM 0 H TYR A 59 5.598 -4.421 -0.982 1.00 0.00 H new ATOM 0 HA TYR A 59 4.674 -2.896 1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.705 -1.764 -1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.263 -1.059 0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.084 -3.390 0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.632 -1.338 -2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.399 -3.954 0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.945 -1.904 -3.411 1.00 0.00 H new ATOM 0 HH TYR A 59 10.817 -2.912 -2.807 1.00 0.00 H new ATOM 928 N ILE A 60 2.302 -2.277 0.690 1.00 0.00 N ATOM 929 CA ILE A 60 0.863 -2.164 0.490 1.00 0.00 C ATOM 930 C ILE A 60 0.466 -0.731 0.152 1.00 0.00 C ATOM 931 O ILE A 60 0.776 0.213 0.879 1.00 0.00 O ATOM 932 CB ILE A 60 0.083 -2.620 1.737 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.432 -4.070 2.081 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.413 -2.469 1.512 1.00 0.00 C ATOM 935 CD1 ILE A 60 -0.211 -5.081 1.157 1.00 0.00 C ATOM 0 H ILE A 60 2.666 -1.719 1.463 1.00 0.00 H new ATOM 0 HA ILE A 60 0.609 -2.816 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 60 0.369 -1.987 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.514 -4.193 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.122 -4.277 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.950 -2.796 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.647 -1.424 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.716 -3.079 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.080 -6.087 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.295 -4.985 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.119 -4.900 0.134 1.00 0.00 H new ATOM 947 N PRO A 61 -0.239 -0.562 -0.976 1.00 0.00 N ATOM 948 CA PRO A 61 -0.696 0.753 -1.435 1.00 0.00 C ATOM 949 C PRO A 61 -1.795 1.327 -0.547 1.00 0.00 C ATOM 950 O PRO A 61 -2.882 0.758 -0.443 1.00 0.00 O ATOM 951 CB PRO A 61 -1.237 0.470 -2.839 1.00 0.00 C ATOM 952 CG PRO A 61 -1.621 -0.969 -2.815 1.00 0.00 C ATOM 953 CD PRO A 61 -0.644 -1.643 -1.891 1.00 0.00 C ATOM 0 HA PRO A 61 0.104 1.493 -1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.093 1.104 -3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.482 0.666 -3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.644 -1.094 -2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.575 -1.402 -3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.105 -2.472 -1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.209 -2.050 -2.435 1.00 0.00 H new ATOM 961 N ILE A 62 -1.505 2.456 0.090 1.00 0.00 N ATOM 962 CA ILE A 62 -2.470 3.106 0.968 1.00 0.00 C ATOM 963 C ILE A 62 -3.308 4.125 0.203 1.00 0.00 C ATOM 964 O ILE A 62 -2.773 5.031 -0.438 1.00 0.00 O ATOM 965 CB ILE A 62 -1.772 3.813 2.146 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.730 2.888 2.778 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.796 4.252 3.181 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.194 3.593 3.746 1.00 0.00 C ATOM 0 H ILE A 62 -0.610 2.940 0.015 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.120 2.323 1.358 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.262 4.700 1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.242 2.080 3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.135 2.430 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.288 4.750 4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.504 4.942 2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.331 3.380 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.906 2.877 4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.733 4.383 3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.391 4.027 4.557 1.00 0.00 H new